A0A087Y3Y4_POEFO Loading...

Double PHD fingers 3

AlphaFold DB , UniProt , Accession A0A087Y3Y4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 353 aa.

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

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
1M67.9Low87.2Confident226 Ų226105.8 Ų105.8100%1.11361%0.612SS**  0129.90-124.6150.280.200107
2P83.3Confident87.3Confident78 Ų78104.7 Ų104.751%0.50660%0.596SS.*  trans-61.8138.6174.624.6-31000109.8A11 Q12 N13P2-A11 HydrophobicContact CB-CB 4.29Å; P2-Q12 CarbonylContact C-O 3.56Å; P2-Q12 VanDerWaalsContact CA-O 3.24Å; P2-Q12 WeakPolarHBondContact CA-O 3.47Å; P2-N13 VanDerWaalsContact CA-OD1 3.23Å; P2-N13 WeakPolarHBondContact CA-OD1 3.25Å; P2-N13 VanDerWaalsContact CB-OD1 3.31Å; P2-N13 WeakPolarHBondContact CB-OD1 3.25Å
3F90.3Very high87.4Confident133 Ų133105.2 Ų105.258%0.58360%0.597SS**EExtended strand (participates in β ladder)trans-97.9130.5172.1168.2-100.8000109D5 A11 Q12F3-D5 HydrophobicContact CE1-CB 4.27Å; F3-A11 CarbonylContact O-C 3.51Å; F3-Q12 PolarHBondContact N-O 2.83Å; F3-Q12 PolarHBondContact O-N 2.92Å
4L91.8Very high87.5Confident119 Ų119108.6 Ų108.662%0.62361%0.612SS**EExtended strand (participates in β ladder)trans-87.2113.2178.3-163.773.3000109.3S6 A11L4-S6 PolarHBondContact O-N 3.34Å; L4-A11 HydrophobicContact CD1-CB 4.1Å
5D90.1Very high87.2Confident31 Ų31106.3 Ų106.317%0.16660%0.604CS.*  trans-78.2118.3175.41762.1000110F3 Q7 T8 G9 V10 Q12F3-D5 HydrophobicContact CE1-CB 4.27Å; D5-Q7 VanDerWaalsContact C-N 3.3Å; D5-Q7 PolarHBondContact O-N 3.09Å; D5-Q7 PolarHBondContact OD1-N 2.89Å; D5-T8 WeakPolarHBondContact CB-OG1 3.27Å; D5-T8 WeakPolarHBondContact OD2-CG2 3.39Å; D5-T8 PolarHBondContact OD2-OG1 2.98Å; D5-G9 VanDerWaalsContact O-CA 3.3Å; D5-G9 WeakPolarHBondContact O-CA 3.33Å; D5-G9 PolarHBondContact O-N 3.18Å; D5-V10 PolarHBondContact N-O 3.14Å; D5-V10 VanDerWaalsContact N-O 3.09Å; D5-Q12 HydrophobicContact CB-CG 4.38Å; D5-Q12 PolarHBondContact OD2-NE2 2.89Å
6S87.8Confident87Confident116 Ų116108.4 Ų108.481%0.81160%0.601SS**THydrogen-bonded Turntrans-71.8-18.7-17557.80000114.5L4L4-S6 PolarHBondContact O-N 3.34Å
7Q90Very high86.9Confident182 Ų182108.8 Ų108.885%0.8560%0.6SS**THydrogen-bonded Turntrans-88.6-35.5177.3-69.5-177.63.900112.2D5D5-Q7 VanDerWaalsContact C-N 3.3Å; D5-Q7 PolarHBondContact O-N 3.09Å; D5-Q7 PolarHBondContact OD1-N 2.89Å
8T88.9Confident87.1Confident82 Ų82115.2 Ų115.250%0.50361%0.614SS.*THydrogen-bonded Turntrans-101.5-14.2-176.263.70000113.5D5 V10D5-T8 WeakPolarHBondContact CB-OG1 3.27Å; D5-T8 WeakPolarHBondContact OD2-CG2 3.39Å; D5-T8 PolarHBondContact OD2-OG1 2.98Å; T8-V10 PolarHBondContact O-N 3.02Å; T8-V10 VanDerWaalsContact O-N 3.16Å; T8-V10 PolarHBondContact OG1-N 3.39Å
9G88.3Confident87.3Confident58 Ų58113.5 Ų113.560%0.59860%0.603SS**  trans67.64.7-173.800000113.7D5D5-G9 VanDerWaalsContact O-CA 3.3Å; D5-G9 WeakPolarHBondContact O-CA 3.33Å; D5-G9 PolarHBondContact O-N 3.18Å
10V90.5Very high87.5Confident80 Ų80112.8 Ų112.849%0.48560%0.596SS.*  trans-85.7127.2-176179.80000109.9D5 T8 Q12D5-V10 PolarHBondContact N-O 3.14Å; D5-V10 VanDerWaalsContact N-O 3.09Å; T8-V10 PolarHBondContact O-N 3.02Å; T8-V10 VanDerWaalsContact O-N 3.16Å; T8-V10 PolarHBondContact OG1-N 3.39Å; V10-Q12 HydrophobicContact CG1-CG 4.26Å; V10-Q12 PolarHBondContact O-N 2.9Å
11A90.9Very high87.7Confident59 Ų59115.9 Ų115.949%0.48861%0.605SS.*EExtended strand (participates in β ladder)trans-73.194.1167.100000109.5P2 F3 L4P2-A11 HydrophobicContact CB-CB 4.29Å; F3-A11 CarbonylContact O-C 3.51Å; L4-A11 HydrophobicContact CD1-CB 4.1Å
12Q88.3Confident89Confident92 Ų92113.9 Ų113.943%0.4359%0.585SS.*EExtended strand (participates in β ladder)trans-76.6134.8-178.2-64.5-175.7-15.300111.3P2 F3 D5 V10P2-Q12 CarbonylContact C-O 3.56Å; P2-Q12 VanDerWaalsContact CA-O 3.24Å; P2-Q12 WeakPolarHBondContact CA-O 3.47Å; F3-Q12 PolarHBondContact N-O 2.83Å; F3-Q12 PolarHBondContact O-N 2.92Å; D5-Q12 HydrophobicContact CB-CG 4.38Å; D5-Q12 PolarHBondContact OD2-NE2 2.89Å; V10-Q12 HydrophobicContact CG1-CG 4.26Å; V10-Q12 PolarHBondContact O-N 2.9Å
13N88.3Confident89.4Confident112 Ų112113.2 Ų113.260%0.59958%0.575SS**  trans-116.1178169-84.2-40.5000109.7P2 C15P2-N13 VanDerWaalsContact CA-OD1 3.23Å; P2-N13 WeakPolarHBondContact CA-OD1 3.25Å; P2-N13 VanDerWaalsContact CB-OD1 3.31Å; P2-N13 WeakPolarHBondContact CB-OD1 3.25Å; N13-C15 PolarHBondContact O-N 3.33Å
14N88.6Confident89.6Confident153 Ų153111.8 Ų111.882%0.81857%0.566SS**  trans-49.8115.8172.4-74.2-19.6000110.6
15C83Confident89.7Confident73 Ų73113 Ų11349%0.49356%0.562SS.*  trans-109.6148.9-178.863.50000110.6N13 I17N13-C15 PolarHBondContact O-N 3.33Å; C15-I17 HydrophobicContact CB-CG1 4.48Å; C15-I17 HydrophobicContact CB-CG2 4.41Å
16Y84.3Confident89.9Confident140 Ų140116.8 Ų116.855%0.54959%0.588SS.*  trans-105.724.5-178.3-63.6-87.7000112.1W18 R39Y16-W18 VanDerWaalsContact C-N 3.28Å; Y16-W18 PolarHBondContact O-N 3.48Å; Y16-R39 PolarHBondContact OH-NH2 3.01Å
17I86Confident90.2Very high115 Ų115112.6 Ų112.659%0.5956%0.563SS**  trans-69.5-28.3-178.863.8-179.2000112C15 M19C15-I17 HydrophobicContact CB-CG1 4.48Å; C15-I17 HydrophobicContact CB-CG2 4.41Å; I17-M19 PolarHBondContact O-N 3.35Å
18W89.2Confident90.3Very high224 Ų224111.3 Ų111.385%0.84856%0.557SS**  trans-86.194.1-178.4-57.7109.7000110.4Y16Y16-W18 VanDerWaalsContact C-N 3.28Å; Y16-W18 PolarHBondContact O-N 3.48Å
19M90.9Very high90.5Very high83 Ų83110.2 Ų110.241%0.40956%0.556SS.*  trans-107.2128.8178.6-66.6-179.9-76.100111.3I17 Y36I17-M19 PolarHBondContact O-N 3.35Å; M19-Y36 HydrophobicContact CB-CD1 3.75Å; M19-Y36 HydrophobicContact CB-CE1 3.98Å; M19-Y36 HydrophobicContact CE-CD1 4.1Å; M19-Y36 HydrophobicContact CE-CD2 4.06Å; M19-Y36 HydrophobicContact CE-CG 3.69Å; M19-Y36 HydrophobicContact CG-CD1 4.39Å; M19-Y36 WeakPolarHBondContact SD-CB 3.41Å; M19-Y36 HydrophobicContact SD-CD1 3.81Å; M19-Y36 HydrophobicContact SD-CG 3.72Å
20E92.3Very high90.7Very high99 Ų99112.7 Ų112.746%0.46357%0.571SS.*  trans-69158.2177.7-63.4177.8-147.800113.3R22 H23E20-R22 HydrophobicContact CB-CG 4.03Å; E20-R22 PolarHBondContact O-N 3.43Å; E20-R22 VanDerWaalsContact O-N 3.13Å; E20-R22 IonicContact OE1-CZ 2.93Å; E20-R22 IonicContact OE1-NH2 3.77Å; E20-R22 PolarHBondContact OE1-NH2 3.41Å; E20-R22 WeakPolarHBondContact OE2-CD 3.31Å; E20-R22 IonicContact OE2-CZ 3.25Å; E20-R22 IonicContact OE2-NE 2.97Å; E20-R22 PolarHBondContact OE2-NE 3.19Å; E20-R22 VanDerWaalsContact OE2-NE 3.11Å; E20-R22 IonicContact OE2-NH1 3.25Å; E20-R22 PolarHBondContact OE2-NH1 3.27Å; E20-R22 IonicContact OE2-NH2 3.26Å; E20-R22 PolarHBondContact OE2-NH2 3.24Å; E20-H23 PolarHBondContact N-ND1 2.82Å; E20-H23 WeakPolarHBondContact O-CB 3.49Å; E20-H23 PolarHBondContact O-N 3.41Å
21K91.9Very high90.9Very high178 Ų178113 Ų11377%0.77459%0.591SS**G310 helixtrans-55.8-31.8177.8-170.7177.7179.2-177.90113H23 R24K21-H23 PolarHBondContact O-N 2.82Å; K21-R24 WeakPolarHBondContact O-CB 3.49Å; K21-R24 PolarHBondContact O-N 2.98Å
22R93.4Very high91.1Very high185 Ų185114.2 Ų114.270%0.69859%0.586SS**G310 helixtrans-66.7-22.717769.4179.9-172.9-143.4-13.5113.8E20 R24E20-R22 HydrophobicContact CB-CG 4.03Å; E20-R22 PolarHBondContact O-N 3.43Å; E20-R22 VanDerWaalsContact O-N 3.13Å; E20-R22 IonicContact OE1-CZ 2.93Å; E20-R22 IonicContact OE1-NH2 3.77Å; E20-R22 PolarHBondContact OE1-NH2 3.41Å; E20-R22 WeakPolarHBondContact OE2-CD 3.31Å; E20-R22 IonicContact OE2-CZ 3.25Å; E20-R22 IonicContact OE2-NE 2.97Å; E20-R22 PolarHBondContact OE2-NE 3.19Å; E20-R22 VanDerWaalsContact OE2-NE 3.11Å; E20-R22 IonicContact OE2-NH1 3.25Å; E20-R22 PolarHBondContact OE2-NH1 3.27Å; E20-R22 IonicContact OE2-NH2 3.26Å; E20-R22 PolarHBondContact OE2-NH2 3.24Å; R22-R24 VanDerWaalsContact C-N 3.29Å
23H92.6Very high91.3Very high64 Ų64117 Ų11730%0.29660%0.601SS.*G310 helixtrans-84.5-6177.5-52.5137.1000112.4E20 K21 R25 Y36 P37E20-H23 PolarHBondContact N-ND1 2.82Å; E20-H23 WeakPolarHBondContact O-CB 3.49Å; E20-H23 PolarHBondContact O-N 3.41Å; K21-H23 PolarHBondContact O-N 2.82Å; H23-R25 PolarHBondContact O-N 2.98Å; H23-Y36 HydrophobicContact CB-CD1 4.15Å; H23-P37 VanDerWaalsContact O-CD 3.32Å; H23-P37 WeakPolarHBondContact O-CD 3.29Å
24R94.8Very high91.7Very high103 Ų103116.9 Ų116.939%0.38959%0.593SS.*  trans-74.9116.6178.8-173.8-176.8-80.9-164.3-0.4110K21 R22 Y34 Y36K21-R24 WeakPolarHBondContact O-CB 3.49Å; K21-R24 PolarHBondContact O-N 2.98Å; R22-R24 VanDerWaalsContact C-N 3.29Å; R24-Y34 HydrophobicContact CG-CD1 3.41Å; R24-Y34 VanDerWaalsContact CG-CD1 3.41Å; R24-Y34 HydrophobicContact CG-CD2 4.32Å; R24-Y34 HydrophobicContact CG-CE1 4.09Å; R24-Y34 HydrophobicContact CG-CG 3.53Å; R24-Y34 VanDerWaalsContact NH1-CE2 3.33Å; R24-Y36 HydrophobicContact CB-CE1 3.81Å; R24-Y36 HydrophobicContact CG-CE1 4.37Å; R24-Y36 PolarHBondContact NE-OH 3.09Å; R24-Y36 PolarHBondContact NH2-OH 3.13Å
25R93.4Very high92Very high145 Ų145110.5 Ų110.555%0.54756%0.559SS.*EExtended strand (participates in β ladder)trans-105.8161.4174.9-60.2-178.6179.2-178.9-1.7110.2H23 Y34 T35H23-R25 PolarHBondContact O-N 2.98Å; R25-Y34 CarbonylContact O-C 3.56Å; R25-Y34 VanDerWaalsContact O-CA 3.26Å; R25-Y34 WeakPolarHBondContact O-CA 3.44Å; R25-T35 WeakPolarHBondContact CA-O 3.27Å; R25-T35 WeakPolarHBondContact CB-O 3.36Å; R25-T35 PolarHBondContact N-O 2.81Å; R25-T35 PolarHBondContact O-N 3.47Å
26P94.9Very high92.5Very high110 Ų110110.3 Ų110.371%0.71455%0.549SS*.EExtended strand (participates in β ladder)trans-54.9148.9169.9-23.534.2000111.5T35P26-T35 PolarHBondContact O-OG1 3.4Å
27G94.2Very high92.8Very high28 Ų28106.5 Ų106.529%0.28954%0.541SS..  trans-63.4138.5176.300000112.5Q32 M33 T35G27-Q32 WeakPolarHBondContact CA-O 3.41Å; G27-M33 PolarHBondContact N-O 3.14Å; G27-T35 WeakPolarHBondContact CA-OG1 3.41Å
28Q91.9Very high92.9Very high155 Ų155105.5 Ų105.572%0.72455%0.55SS*.SBendtrans-92.9-23.5-179.3-64.5-179.618.600113.3T35Q28-T35 HydrophobicContact CG-CG2 4.34Å; Q28-T35 PolarHBondContact N-OG1 3.2Å
29A93.1Very high92.6Very high58 Ų58102.5 Ų102.548%0.47954%0.539SS..SBendtrans-107.2156178.900000112.4G31 Q32A29-G31 PolarHBondContact O-N 3.31Å; A29-Q32 HydrophobicContact CB-CB 4.31Å; A29-Q32 VanDerWaalsContact O-CB 3.24Å; A29-Q32 WeakPolarHBondContact O-CB 3.26Å; A29-Q32 PolarHBondContact O-N 3.3Å
30A92.6Very high92.2Very high111 Ų111105.1 Ų105.192%0.91756%0.563SS**THydrogen-bonded Turntrans-57.5129.2175.300000111Q32A30-Q32 VanDerWaalsContact C-N 3.27Å; A30-Q32 PolarHBondContact O-N 3.27Å
31G93.9Very high91.7Very high86 Ų86110.1 Ų110.189%0.88758%0.578SS**THydrogen-bonded Turntrans80.8-5.7-17600000115.2A29A29-G31 PolarHBondContact O-N 3.31Å
32Q95.3Very high91.4Very high84 Ų84113 Ų11339%0.39358%0.584SS.*  trans-83.4121.8174.7-1711736.200110.3G27 A29 A30 Y34 T35G27-Q32 WeakPolarHBondContact CA-O 3.41Å; A29-Q32 HydrophobicContact CB-CB 4.31Å; A29-Q32 VanDerWaalsContact O-CB 3.24Å; A29-Q32 WeakPolarHBondContact O-CB 3.26Å; A29-Q32 PolarHBondContact O-N 3.3Å; A30-Q32 VanDerWaalsContact C-N 3.27Å; A30-Q32 PolarHBondContact O-N 3.27Å; Q32-Y34 VanDerWaalsContact CG-O 3.29Å; Q32-Y34 WeakPolarHBondContact CG-O 3.49Å; Q32-Y34 PolarHBondContact NE2-O 3.46Å; Q32-T35 VanDerWaalsContact CD-OG1 3.27Å; Q32-T35 PolarHBondContact NE2-OG1 2.87Å
33M93.6Very high90.8Very high150 Ų150111.5 Ų111.574%0.73958%0.583SS**  trans-77.3-39.9177.3-66.2-168.3-70.400112.5G27G27-M33 PolarHBondContact N-O 3.14Å
34Y95.8Very high89.8Confident110 Ų110117.9 Ų117.943%0.43161%0.61SS.*EExtended strand (participates in β ladder)trans-143.2150.4-176.1-54.4-64000112.3R24 R25 Q32R24-Y34 HydrophobicContact CG-CD1 3.41Å; R24-Y34 VanDerWaalsContact CG-CD1 3.41Å; R24-Y34 HydrophobicContact CG-CD2 4.32Å; R24-Y34 HydrophobicContact CG-CE1 4.09Å; R24-Y34 HydrophobicContact CG-CG 3.53Å; R24-Y34 VanDerWaalsContact NH1-CE2 3.33Å; R25-Y34 CarbonylContact O-C 3.56Å; R25-Y34 VanDerWaalsContact O-CA 3.26Å; R25-Y34 WeakPolarHBondContact O-CA 3.44Å; Q32-Y34 VanDerWaalsContact CG-O 3.29Å; Q32-Y34 WeakPolarHBondContact CG-O 3.49Å; Q32-Y34 PolarHBondContact NE2-O 3.46Å
35T94.9Very high88.5Confident19 Ų19122.4 Ų122.412%0.11763%0.627CS.*EExtended strand (participates in β ladder)trans-124.5146.9171.8-56.90000109.3R25 P26 G27 Q28 Q32R25-T35 WeakPolarHBondContact CA-O 3.27Å; R25-T35 WeakPolarHBondContact CB-O 3.36Å; R25-T35 PolarHBondContact N-O 2.81Å; R25-T35 PolarHBondContact O-N 3.47Å; P26-T35 PolarHBondContact O-OG1 3.4Å; G27-T35 WeakPolarHBondContact CA-OG1 3.41Å; Q28-T35 HydrophobicContact CG-CG2 4.34Å; Q28-T35 PolarHBondContact N-OG1 3.2Å; Q32-T35 VanDerWaalsContact CD-OG1 3.27Å; Q32-T35 PolarHBondContact NE2-OG1 2.87Å
36Y94Very high86.8Confident70 Ų70124.7 Ų124.728%0.27564%0.635SS.*  trans-118.4156.4174.2-67.3-91.9000110.2M19 H23 R24 A38M19-Y36 HydrophobicContact CB-CD1 3.75Å; M19-Y36 HydrophobicContact CB-CE1 3.98Å; M19-Y36 HydrophobicContact CE-CD1 4.1Å; M19-Y36 HydrophobicContact CE-CD2 4.06Å; M19-Y36 HydrophobicContact CE-CG 3.69Å; M19-Y36 HydrophobicContact CG-CD1 4.39Å; M19-Y36 WeakPolarHBondContact SD-CB 3.41Å; M19-Y36 HydrophobicContact SD-CD1 3.81Å; M19-Y36 HydrophobicContact SD-CG 3.72Å; H23-Y36 HydrophobicContact CB-CD1 4.15Å; R24-Y36 HydrophobicContact CB-CE1 3.81Å; R24-Y36 HydrophobicContact CG-CE1 4.37Å; R24-Y36 PolarHBondContact NE-OH 3.09Å; R24-Y36 PolarHBondContact NH2-OH 3.13Å; Y36-A38 PolarHBondContact O-N 2.93Å; Y36-A38 VanDerWaalsContact O-N 3.14Å
37P90.9Very high84.2Confident60 Ų60126.5 Ų126.539%0.3964%0.638SS.*PPolyproline II helixtrans-55.9118.6178.1-25.134000111.7H23H23-P37 VanDerWaalsContact O-CD 3.32Å; H23-P37 WeakPolarHBondContact O-CD 3.29Å
38A86.3Confident81.6Confident93 Ų93131.9 Ų131.977%0.76966%0.656SS**PPolyproline II helixtrans-79.8138173.500000109.7Y36Y36-A38 PolarHBondContact O-N 2.93Å; Y36-A38 VanDerWaalsContact O-N 3.14Å
39R83.1Confident79.6Confident162 Ų162129.1 Ų129.161%0.61165%0.651SS**PPolyproline II helixtrans-78.8130.1169.8-76.8-176.4126.7-142-1109.3Y16 W41Y16-R39 PolarHBondContact OH-NH2 3.01Å; R39-W41 PolarHBondContact O-N 3.11Å
40C84.2Confident77.4Confident138 Ų138131 Ų13193%0.93266%0.659SS**PPolyproline II helixtrans-67.9120.7167-64.80000108
41W81.3Confident75Confident204 Ų204132.8 Ų132.877%0.77365%0.652SS**  trans-122.5146.3171.860.5-84.1000107.7R39 K43R39-W41 PolarHBondContact O-N 3.11Å; W41-K43 HydrophobicContact CZ3-CB 3.89Å
42R84.4Confident72.7Confident238 Ų238131.2 Ų131.290%0.89862%0.623SS**  trans-116.2120.2174.5-67177.572.2-160.64.5107.3K44R42-K44 PolarHBondContact O-N 3.3Å
43K81.9Confident70.2Confident154 Ų154132.4 Ų132.467%0.6764%0.638SS**  trans-63.2121.8166.3-161.8172.1-178.7174.50106.5W41 R45W41-K43 HydrophobicContact CZ3-CB 3.89Å; K43-R45 PolarHBondContact O-N 3.48Å
44K71.7Confident67.9Low198 Ų198132 Ų13286%0.86163%0.634SS**  trans-61.1115165.4-75.3-171.4178.4-175.10106.3R42 R46R42-K44 PolarHBondContact O-N 3.3Å; K44-R46 PolarHBondContact O-N 3.47Å
45R66.6Low65.4Low198 Ų198132.3 Ų132.375%0.74764%0.643SS**  trans-58.7110.5163.5-81.5174.661-175-2.2104.9K43 L47K43-R45 PolarHBondContact O-N 3.48Å; R45-L47 PolarHBondContact O-N 3.43Å; R45-L47 VanDerWaalsContact O-N 3.08Å
46R57.7Low62.8Low192 Ų192141.8 Ų141.873%0.72568%0.677SS**  trans-55118.9152.3-71.5-170.1-116-933.2103.2K44 H48K44-R46 PolarHBondContact O-N 3.47Å; R46-H48 PolarHBondContact O-N 3.06Å; R46-H48 VanDerWaalsContact O-N 3.16Å
47L40.3Very low60.2Low148 Ų148145.8 Ų145.878%0.77570%0.702SS**  trans-48.3129.9165.4-68.2169000104.5R45R45-L47 PolarHBondContact O-N 3.43Å; R45-L47 VanDerWaalsContact O-N 3.08Å
48H40.4Very low57.5Low142 Ų142148 Ų14866%0.65772%0.717SS**  trans-42.7133.6165.4-69.1-90.2000106R46R46-H48 PolarHBondContact O-N 3.06Å; R46-H48 VanDerWaalsContact O-N 3.16Å
49P50.1Low55Low96 Ų96152 Ų15262%0.62372%0.72SS**  trans-45.3124.2158.4-20.230.9000104.7L51P49-L51 PolarHBondContact O-N 3.16Å
50P45.5Very low52.7Low99 Ų99151.7 Ų151.764%0.64373%0.73SS**  trans-47.9122.9-177.617.8-29.6000106.2D52P50-D52 VanDerWaalsContact C-N 3.27Å; P50-D52 PolarHBondContact O-N 3.47Å
51L42.9Very low50.4Low147 Ų147155 Ų15577%0.7772%0.723SS**  trans-55.5108.2168.6-81.5166.7000104.3P49 P53 L55P49-L51 PolarHBondContact O-N 3.16Å; L51-P53 WeakPolarHBondContact O-CD 3.1Å; L51-L55 HydrophobicContact CD2-CD1 4.04Å
52D46.3Very low48Very low54 Ų54153.1 Ų153.129%0.28973%0.727SS.*  trans-55.6125.2-170.8-170.8-16.6000108.4P50 Q54 L55P50-D52 VanDerWaalsContact C-N 3.27Å; P50-D52 PolarHBondContact O-N 3.47Å; D52-Q54 PolarHBondContact O-N 3.46Å; D52-Q54 VanDerWaalsContact OD1-CB 3.29Å; D52-Q54 WeakPolarHBondContact OD1-CB 3.31Å; D52-Q54 WeakPolarHBondContact OD1-CG 3.07Å; D52-Q54 PolarHBondContact OD1-N 3.45Å; D52-L55 HydrophobicContact CB-CG 4.49Å; D52-L55 WeakPolarHBondContact O-CB 3.3Å; D52-L55 PolarHBondContact O-N 3.38Å
53P42.7Very low45.5Very low109 Ų109148 Ų14871%0.70871%0.713SS**G310 helixtrans-51.4-20.5169.3-2735.6000113.3L51 L55 R56L51-P53 WeakPolarHBondContact O-CD 3.1Å; P53-L55 VanDerWaalsContact C-N 3.26Å; P53-L55 PolarHBondContact O-N 3.31Å; P53-R56 WeakPolarHBondContact O-CB 3.42Å; P53-R56 PolarHBondContact O-N 2.86Å
54Q44.8Very low43Very low141 Ų141145.4 Ų145.466%0.65972%0.721SS**G310 helixtrans-76.9-2.6174.8-57.8-178.2-88.900114.4D52 R56D52-Q54 PolarHBondContact O-N 3.46Å; D52-Q54 VanDerWaalsContact OD1-CB 3.29Å; D52-Q54 WeakPolarHBondContact OD1-CB 3.31Å; D52-Q54 WeakPolarHBondContact OD1-CG 3.07Å; D52-Q54 PolarHBondContact OD1-N 3.45Å; Q54-R56 PolarHBondContact O-N 2.9Å
55L43.9Very low41.3Very low117 Ų117142.4 Ų142.461%0.61371%0.714SS**G310 helixtrans-71.3-0.3161.3-69.2172.8000112.6L51 D52 P53 L57L51-L55 HydrophobicContact CD2-CD1 4.04Å; D52-L55 HydrophobicContact CB-CG 4.49Å; D52-L55 WeakPolarHBondContact O-CB 3.3Å; D52-L55 PolarHBondContact O-N 3.38Å; P53-L55 VanDerWaalsContact C-N 3.26Å; P53-L55 PolarHBondContact O-N 3.31Å; L55-L57 PolarHBondContact O-N 2.87Å
56R40.6Very low39.7Very low218 Ų218140.4 Ų140.482%0.82372%0.718SS**SBendtrans-78.292153.9-73.3-128.1164.1155.4-0.3108.8P53 Q54 C58P53-R56 WeakPolarHBondContact O-CB 3.42Å; P53-R56 PolarHBondContact O-N 2.86Å; Q54-R56 PolarHBondContact O-N 2.9Å; R56-C58 PolarHBondContact O-N 3Å
57L39.1Very low38.3Very low153 Ų153136 Ų13680%0.80172%0.722SS**  trans30.492.8151.6-81.3153.3000113.9L55 E59L55-L57 PolarHBondContact O-N 2.87Å; L57-E59 PolarHBondContact O-N 2.99Å
58C34.1Very low38.2Very low106 Ų106134.8 Ų134.872%0.71672%0.723SS**  trans-62.190.4152.5-82.10000107.8R56 L60R56-C58 PolarHBondContact O-N 3Å; C58-L60 PolarHBondContact O-N 2.96Å
59E33.3Very low38.1Very low179 Ų179137.1 Ų137.184%0.83673%0.731SS**  trans-59.592.2153.8-84.4179.6147.500106.9L57 R61L57-E59 PolarHBondContact O-N 2.99Å; E59-R61 VanDerWaalsContact C-N 3.29Å; E59-R61 PolarHBondContact O-N 2.88Å
60L34.2Very low37.2Very low155 Ų155144.3 Ų144.381%0.81275%0.746SS**  trans-61.9101.4160.8-74.9169.5000106.7C58 L62C58-L60 PolarHBondContact O-N 2.96Å; L60-L62 VanDerWaalsContact C-N 3.32Å; L60-L62 PolarHBondContact O-N 2.82Å
61R36.8Very low36.8Very low207 Ų207148.5 Ų148.578%0.78176%0.757SS**  trans-56.194.8165.1-177.7176.6174.8146.6-1.1108.3E59 E63E59-R61 VanDerWaalsContact C-N 3.29Å; E59-R61 PolarHBondContact O-N 2.88Å; R61-E63 IonicContact CZ-OE1 3.55Å; R61-E63 IonicContact NE-OE1 3.02Å; R61-E63 PolarHBondContact NE-OE1 3.44Å; R61-E63 IonicContact NH2-OE1 3.18Å; R61-E63 PolarHBondContact NH2-OE1 3.13Å; R61-E63 PolarHBondContact O-N 3.15Å; R61-E63 VanDerWaalsContact O-N 3.14Å
62L30.2Very low36.3Very low164 Ų164144.8 Ų144.886%0.85975%0.754SS**  trans-72.499161.7-81.2164.8000107L60 A64L60-L62 VanDerWaalsContact C-N 3.32Å; L60-L62 PolarHBondContact O-N 2.82Å; L62-A64 PolarHBondContact O-N 3.12Å; L62-A64 VanDerWaalsContact O-N 3.09Å
63E33.1Very low36.1Very low130 Ų130148.3 Ų148.361%0.60778%0.78SS**  trans-56.5105.6161.8-76.2-86.113300108.5R61R61-E63 IonicContact CZ-OE1 3.55Å; R61-E63 IonicContact NE-OE1 3.02Å; R61-E63 PolarHBondContact NE-OE1 3.44Å; R61-E63 IonicContact NH2-OE1 3.18Å; R61-E63 PolarHBondContact NH2-OE1 3.13Å; R61-E63 PolarHBondContact O-N 3.15Å; R61-E63 VanDerWaalsContact O-N 3.14Å
64A29.6Very low36Very low101 Ų101149.5 Ų149.584%0.83579%0.788SS**  trans-121.288.9163.200000106.8L62L62-A64 PolarHBondContact O-N 3.12Å; L62-A64 VanDerWaalsContact O-N 3.09Å
65D35.1Very low35.5Very low134 Ų134146.1 Ų146.172%0.71779%0.791SS**  trans-90.4147172.4-138.3-16.3000110
66L32.6Very low35.5Very low157 Ų157149.7 Ų149.782%0.82280%0.804SS**  trans86.496.6166.1-44.8-178.8000119.6
67A29.4Very low35.5Very low99 Ų99143.5 Ų143.582%0.81880%0.8SS**  -173.9151.8115.800000112.7
68P37.9Very low36.6Very low123 Ų123140.8 Ų140.880%0.79979%0.79SS**  trans-96.8160.7-148.637.1-34.4000116.2
69K37.7Very low37.4Very low190 Ų190139.7 Ų139.783%0.82679%0.788SS**  trans-11.5128.4168.1-75-169.6170.8-171.40117.7
70R32.3Very low38Very low248 Ų248137.2 Ų137.294%0.93678%0.78SS**  trans-137130.3138.8-79.8-157.3171.5-168.9-0.8111.2
71E36.8Very low39Very low186 Ų186135.1 Ų135.187%0.86977%0.766SS**  trans-78146173.4-64.9-164.2164.400111.8
72G32.4Very low39.9Very low69 Ų69128.8 Ų128.871%0.71176%0.758SS**  trans-173.6150.6170.200000111.1
73P41.4Very low40.9Very low128 Ų128127.6 Ų127.683%0.83175%0.752SS**  trans-90.2174.6-14238.2-38.1000115.5
74P41.1Very low41.6Very low135 Ų135128.6 Ų128.688%0.87776%0.761SS**  trans-83.7127.9-168.133.5-29.5000111.3
75G35Very low42.8Very low70 Ų70133.9 Ų133.972%0.72276%0.759SS**  trans-131.1107.2173.900000110.6
76E42.8Very low43.6Very low191 Ų191129.8 Ų129.889%0.89375%0.748SS**  trans36.396.4152.2-65.6176.4165.200118T78E76-T78 PolarHBondContact O-N 3.42Å
77A41.6Very low44.4Very low88 Ų88129.9 Ų129.973%0.72775%0.749SS**  trans-61.1124.6160.500000109.8
78T61.6Low45.3Very low97 Ų97131.9 Ų131.960%0.59575%0.747SS**  trans-72148.1177.539.30000111E76 L80 E81E76-T78 PolarHBondContact O-N 3.42Å; T78-L80 PolarHBondContact O-N 2.97Å; T78-E81 PolarHBondContact O-N 3.36Å
79A50.6Low45.8Very low82 Ų82130 Ų13068%0.67874%0.742SS**Hα-helixtrans-54.3-16.3-179.600000114.7
80L45.2Very low46.2Very low128 Ų128127.8 Ų127.867%0.6774%0.738SS**Hα-helixtrans-68.5-33175.7-155.183.4000112.8T78T78-L80 PolarHBondContact O-N 2.97Å
81E55.8Low46.8Very low110 Ų110122 Ų12251%0.51472%0.722SS.*Hα-helixtrans-77.8-19.6179.7-69.1-152.113800113.5T78T78-E81 PolarHBondContact O-N 3.36Å
82A55.3Low47.2Very low74 Ų74121.3 Ų121.361%0.61272%0.715SS**Hα-helixtrans-77-30.9176.100000112.3
83L51.8Low47.8Very low139 Ų139125.6 Ų125.673%0.72871%0.714SS**Hα-helixtrans-76.3-28.6-179.6-76.2161.3000113.2R85L83-R85 VanDerWaalsContact C-N 3.28Å; L83-R85 PolarHBondContact O-N 2.77Å
84L48.3Very low48.2Very low152 Ų152125 Ų12580%0.79670%0.704SS**THydrogen-bonded Turntrans-78.2-8.7-180-71.5168.8000114.1
85R54.2Low48.6Very low212 Ų212122.9 Ų122.980%0.869%0.686SS**THydrogen-bonded Turntrans-101.7-8.9-179.5-106.2-168.7-73.2-112.7-2.2115.1L83L83-R85 VanDerWaalsContact C-N 3.28Å; L83-R85 PolarHBondContact O-N 2.77Å
86G51.5Low49.6Very low47 Ų47125 Ų12549%0.48568%0.68SS.*SBendtrans-134.481.7-173.100000112.8
87D50.4Low50.4Low159 Ų159119.3 Ų119.385%0.8566%0.661SS**SBendtrans171.792.5142.7-95.2-24.2000110.2
88N47.9Very low51.4Low142 Ų142121.7 Ų121.776%0.75966%0.655SS**SBendtrans-16914161.2-99.6-42.3000114
89A47.3Very low51.6Low84 Ų84121.8 Ų121.869%0.69465%0.652SS**SBendtrans-91.2-19.6-177.600000114.1
90L46.8Very low52.4Low142 Ų142123.8 Ų123.874%0.74365%0.647SS**SBendtrans-84-42.2-175.8-14981.9000112.5K92 K93L90-K92 VanDerWaalsContact C-N 3.3Å; L90-K92 PolarHBondContact O-N 2.91Å; L90-K93 PolarHBondContact O-N 3.48Å
91E44.2Very low53.3Low128 Ų128123.9 Ų123.960%0.59864%0.644SS**Hα-helixtrans-64.1-33.1179.9-66.1-74.7122.600112.7K93 N94 N95E91-K93 VanDerWaalsContact C-N 3.35Å; E91-K93 PolarHBondContact O-N 3.26Å; E91-N94 PolarHBondContact O-N 3.41Å; E91-N95 PolarHBondContact O-N 3Å; E91-N95 PolarHBondContact O-ND2 2.97Å
92K46.1Very low54.4Low170 Ų170122.1 Ų122.174%0.73964%0.641SS**Hα-helixtrans-73.9-25.4-177.5-151.6167-174.8173.90113.1L90 L96L90-K92 VanDerWaalsContact C-N 3.3Å; L90-K92 PolarHBondContact O-N 2.91Å; K92-L96 PolarHBondContact O-N 3.16Å
93K44.6Very low55.4Low159 Ų159124 Ų12469%0.69164%0.64SS**Hα-helixtrans-76.3-36.7174.1-87.2176.7167.4172.80112.4L90 E91 S97L90-K93 PolarHBondContact O-N 3.48Å; E91-K93 VanDerWaalsContact C-N 3.35Å; E91-K93 PolarHBondContact O-N 3.26Å; K93-S97 WeakPolarHBondContact O-CB 3.22Å; K93-S97 PolarHBondContact O-N 2.94Å
94N50.1Low56.5Low115 Ų115122 Ų12262%0.61563%0.63SS**Hα-helixtrans-67.1-38.2176.7-953.4000112.7E91 K98E91-N94 PolarHBondContact O-N 3.41Å; N94-K98 WeakPolarHBondContact O-CB 3.5Å; N94-K98 PolarHBondContact O-N 3.48Å
95N50.2Low57.7Low92 Ų92119.3 Ų119.349%0.49261%0.613SS.*Hα-helixtrans-69.4-42.2177.2-73.8-70.2000111.9E91 S97 K98 D99E91-N95 PolarHBondContact O-N 3Å; E91-N95 PolarHBondContact O-ND2 2.97Å; N95-S97 VanDerWaalsContact C-N 3.34Å; N95-S97 PolarHBondContact O-N 3.4Å; N95-K98 PolarHBondContact O-N 2.89Å; N95-D99 PolarHBondContact O-N 2.6Å
96L55Low58.5Low113 Ų113113.6 Ų113.659%0.59260%0.598SS**Hα-helixtrans-63.4-39.2176.8-172.663.9000112.4K92 K98 D99 E100K92-L96 PolarHBondContact O-N 3.16Å; L96-K98 VanDerWaalsContact C-N 3.32Å; L96-K98 PolarHBondContact O-N 3.41Å; L96-D99 PolarHBondContact O-N 3.43Å; L96-E100 VanDerWaalsContact O-CG 3.26Å; L96-E100 WeakPolarHBondContact O-CG 3.4Å; L96-E100 PolarHBondContact O-N 3.16Å; L96-E100 VanDerWaalsContact O-N 3.16Å
97S59.1Low59.3Low73 Ų73116.4 Ų116.451%0.5160%0.598SS.*Hα-helixtrans-63.6-35.5175163.50000112.9K93 N95 E101K93-S97 WeakPolarHBondContact O-CB 3.22Å; K93-S97 PolarHBondContact O-N 2.94Å; N95-S97 VanDerWaalsContact C-N 3.34Å; N95-S97 PolarHBondContact O-N 3.4Å; S97-E101 PolarHBondContact O-N 3.03Å
98K62.6Low60.4Low137 Ų137115.1 Ų115.160%0.59658%0.581SS**Hα-helixtrans-76.3-34.4-179.2-166.2172.1-175.5176.10112.1N94 N95 L96 E101 T102N94-K98 WeakPolarHBondContact O-CB 3.5Å; N94-K98 PolarHBondContact O-N 3.48Å; N95-K98 PolarHBondContact O-N 2.89Å; L96-K98 VanDerWaalsContact C-N 3.32Å; L96-K98 PolarHBondContact O-N 3.41Å; K98-E101 PolarHBondContact O-N 3.49Å; K98-T102 WeakPolarHBondContact O-CB 3.35Å; K98-T102 PolarHBondContact O-N 2.78Å; K98-T102 PolarHBondContact O-OG1 3.37Å
99D65.8Low61.5Low99 Ų99111.7 Ų111.753%0.52957%0.565SS.*Hα-helixtrans-68.6-37.6175.4-68.2-19.3000111.6N95 L96 T102 L103N95-D99 PolarHBondContact O-N 2.6Å; L96-D99 PolarHBondContact O-N 3.43Å; D99-T102 PolarHBondContact O-N 2.81Å; D99-L103 PolarHBondContact O-N 3.28Å
100E68.7Low62.5Low124 Ų124112.7 Ų112.758%0.57956%0.559SS**Hα-helixtrans-64.6-42.4173.4-67.8-11112900112.1L96 T102 L103 L104L96-E100 VanDerWaalsContact O-CG 3.26Å; L96-E100 WeakPolarHBondContact O-CG 3.4Å; L96-E100 PolarHBondContact O-N 3.16Å; L96-E100 VanDerWaalsContact O-N 3.16Å; E100-T102 VanDerWaalsContact C-N 3.31Å; E100-T102 PolarHBondContact O-N 2.71Å; E100-L103 PolarHBondContact O-N 3.02Å; E100-L104 WeakPolarHBondContact O-CG 3.39Å; E100-L104 PolarHBondContact O-N 2.85Å; E100-L104 VanDerWaalsContact O-N 3.11Å
101E64.5Low63.4Low130 Ų130110.6 Ų110.661%0.60755%0.545SS*.Hα-helixtrans-65-36.5176.9-171.3173.1-162.700112S97 K98 L104 E105S97-E101 PolarHBondContact O-N 3.03Å; K98-E101 PolarHBondContact O-N 3.49Å; E101-L104 PolarHBondContact O-N 2.84Å; E101-E105 PolarHBondContact O-N 3.36Å; E101-E105 VanDerWaalsContact O-N 3.15Å
102T78.3Confident64.3Low74 Ų74107.9 Ų107.945%0.45454%0.544SS..Hα-helixtrans-69.8-37.5177.7-52.20000111.6K98 D99 E100 E105 I106K98-T102 WeakPolarHBondContact O-CB 3.35Å; K98-T102 PolarHBondContact O-N 2.78Å; K98-T102 PolarHBondContact O-OG1 3.37Å; D99-T102 PolarHBondContact O-N 2.81Å; E100-T102 VanDerWaalsContact C-N 3.31Å; E100-T102 PolarHBondContact O-N 2.71Å; T102-E105 PolarHBondContact O-N 2.75Å; T102-I106 HydrophobicContact CG2-CD1 4.38Å; T102-I106 WeakPolarHBondContact O-CG1 3.34Å; T102-I106 PolarHBondContact O-N 2.9Å; T102-I106 VanDerWaalsContact O-N 3.14Å
103L75.1Confident64.8Low112 Ų112106.7 Ų106.759%0.58654%0.542SS*.Hα-helixtrans-66.4-39.3175.3-88.6163.5000112.5D99 E100 E105 I106 Q107D99-L103 PolarHBondContact O-N 3.28Å; E100-L103 PolarHBondContact O-N 3.02Å; L103-E105 VanDerWaalsContact C-N 3.34Å; L103-I106 PolarHBondContact O-N 3.01Å; L103-Q107 PolarHBondContact O-N 3.44Å
104L76.4Confident65.2Low97 Ų97106.8 Ų106.851%0.50854%0.544SS..Hα-helixtrans-68.3-32.3176.7-68.5171000112.5E100 E101 R108E100-L104 WeakPolarHBondContact O-CG 3.39Å; E100-L104 PolarHBondContact O-N 2.85Å; E100-L104 VanDerWaalsContact O-N 3.11Å; E101-L104 PolarHBondContact O-N 2.84Å; L104-R108 WeakPolarHBondContact O-CG 3.08Å; L104-R108 PolarHBondContact O-N 3.19Å
105E72.8Confident65.4Low96 Ų96108 Ų10845%0.44955%0.551SS.*Hα-helixtrans-69-41.8173.6-174.264.9-172.800112E101 T102 L103 Q107 R108 V109E101-E105 PolarHBondContact O-N 3.36Å; E101-E105 VanDerWaalsContact O-N 3.15Å; T102-E105 PolarHBondContact O-N 2.75Å; L103-E105 VanDerWaalsContact C-N 3.34Å; E105-Q107 VanDerWaalsContact C-N 3.29Å; E105-Q107 PolarHBondContact O-N 3.37Å; E105-R108 PolarHBondContact O-N 2.83Å; E105-R108 IonicContact OE2-CZ 3.26Å; E105-R108 VanDerWaalsContact OE2-CZ 3.26Å; E105-R108 IonicContact OE2-NE 2.66Å; E105-R108 PolarHBondContact OE2-NE 3.35Å; E105-R108 IonicContact OE2-NH2 2.66Å; E105-R108 PolarHBondContact OE2-NH2 3.44Å; E105-V109 WeakPolarHBondContact O-CG2 3.49Å; E105-V109 PolarHBondContact O-N 3.18Å
106I71.7Confident65.1Low93 Ų93106.8 Ų106.848%0.47756%0.561SS.*Hα-helixtrans-61.4-41.1175.4-67.3164.9000110.5T102 L103 V109 L110T102-I106 HydrophobicContact CG2-CD1 4.38Å; T102-I106 WeakPolarHBondContact O-CG1 3.34Å; T102-I106 PolarHBondContact O-N 2.9Å; T102-I106 VanDerWaalsContact O-N 3.14Å; L103-I106 PolarHBondContact O-N 3.01Å; I106-V109 PolarHBondContact O-N 3.19Å; I106-L110 HydrophobicContact CG2-CD1 4.24Å; I106-L110 WeakPolarHBondContact O-CG 3.29Å; I106-L110 PolarHBondContact O-N 3.47Å; I106-L110 VanDerWaalsContact O-N 3.15Å
107Q67.3Low64.1Low106 Ų106108.5 Ų108.550%0.49557%0.57SS.*Hα-helixtrans-65.8-40.2177.3-173158.6-10.200112.3L103 E105 V109 L110 E111L103-Q107 PolarHBondContact O-N 3.44Å; E105-Q107 VanDerWaalsContact C-N 3.29Å; E105-Q107 PolarHBondContact O-N 3.37Å; Q107-V109 PolarHBondContact O-N 3.25Å; Q107-L110 PolarHBondContact O-N 3.03Å; Q107-E111 WeakPolarHBondContact CG-OE1 3.27Å; Q107-E111 PolarHBondContact NE2-OE1 2.73Å; Q107-E111 WeakPolarHBondContact O-CG 3.39Å; Q107-E111 PolarHBondContact O-N 3.4Å
108R74.1Confident63Low131 Ų131109 Ų10949%0.49457%0.574SS.*Hα-helixtrans-61.9-38.3173.5-79.7-167.4-69.2-98.55113.6L104 E105 E111 A112L104-R108 WeakPolarHBondContact O-CG 3.08Å; L104-R108 PolarHBondContact O-N 3.19Å; E105-R108 PolarHBondContact O-N 2.83Å; E105-R108 IonicContact OE2-CZ 3.26Å; E105-R108 VanDerWaalsContact OE2-CZ 3.26Å; E105-R108 IonicContact OE2-NE 2.66Å; E105-R108 PolarHBondContact OE2-NE 3.35Å; E105-R108 IonicContact OE2-NH2 2.66Å; E105-R108 PolarHBondContact OE2-NH2 3.44Å; R108-E111 PolarHBondContact O-N 3.05Å; R108-A112 WeakPolarHBondContact O-CB 3.46Å; R108-A112 PolarHBondContact O-N 3.11Å
109V71.4Confident61.6Low70 Ų70112.3 Ų112.342%0.42459%0.588SS.*Hα-helixtrans-66.5-42.3178.2172.10000110.8E105 I106 Q107 A112 E113E105-V109 WeakPolarHBondContact O-CG2 3.49Å; E105-V109 PolarHBondContact O-N 3.18Å; I106-V109 PolarHBondContact O-N 3.19Å; Q107-V109 PolarHBondContact O-N 3.25Å; V109-A112 PolarHBondContact O-N 3.07Å; V109-E113 WeakPolarHBondContact O-CG 3.49Å; V109-E113 PolarHBondContact O-N 2.95Å; V109-E113 VanDerWaalsContact O-N 3.15Å
110L68.1Low60.3Low105 Ų105114 Ų11455%0.5559%0.593SS.*Hα-helixtrans-65.4-39.2176.9-66.9171.3000112.2I106 Q107 A112 E113 E114I106-L110 HydrophobicContact CG2-CD1 4.24Å; I106-L110 WeakPolarHBondContact O-CG 3.29Å; I106-L110 PolarHBondContact O-N 3.47Å; I106-L110 VanDerWaalsContact O-N 3.15Å; Q107-L110 PolarHBondContact O-N 3.03Å; L110-A112 VanDerWaalsContact C-N 3.3Å; L110-A112 PolarHBondContact O-N 2.81Å; L110-E113 PolarHBondContact O-N 2.88Å; L110-E114 PolarHBondContact O-N 3.45Å
111E65.5Low58.9Low98 Ų98116.4 Ų116.446%0.45860%0.604SS.*Hα-helixtrans-69.1-26.5176.6-71.1172.1-174.600112.9Q107 R108Q107-E111 WeakPolarHBondContact CG-OE1 3.27Å; Q107-E111 PolarHBondContact NE2-OE1 2.73Å; Q107-E111 WeakPolarHBondContact O-CG 3.39Å; Q107-E111 PolarHBondContact O-N 3.4Å; R108-E111 PolarHBondContact O-N 3.05Å
112A63.2Low57.3Low71 Ų71115.7 Ų115.759%0.58761%0.605SS**Hα-helixtrans-77.5-28.9173.800000112.9R108 V109 L110R108-A112 WeakPolarHBondContact O-CB 3.46Å; R108-A112 PolarHBondContact O-N 3.11Å; V109-A112 PolarHBondContact O-N 3.07Å; L110-A112 VanDerWaalsContact C-N 3.3Å; L110-A112 PolarHBondContact O-N 2.81Å
113E56.1Low55.3Low146 Ų146121.7 Ų121.768%0.68263%0.628SS**Hα-helixtrans-77.3-22.3176.4-69.6-177-177.200112.8V109 L110V109-E113 WeakPolarHBondContact O-CG 3.49Å; V109-E113 PolarHBondContact O-N 2.95Å; V109-E113 VanDerWaalsContact O-N 3.15Å; L110-E113 PolarHBondContact O-N 2.88Å
114E53.2Low53.5Low160 Ų160124.8 Ų124.875%0.74864%0.639SS**Hα-helixtrans-80.8-20.5178.1-169169.6-174.800113.5L110L110-E114 PolarHBondContact O-N 3.45Å
115N54.3Low51.4Low140 Ų140129.2 Ų129.275%0.74966%0.655SS**SBendtrans-110.815.2-174.2-69.5-29.5000115D117N115-D117 PolarHBondContact O-N 2.91Å
116G44.3Very low49.8Very low68 Ų68132.8 Ų132.870%0.70167%0.671SS**  trans-91.987.8176.600000113
117D33.4Very low48Very low148 Ų148132.2 Ų132.279%0.79168%0.68SS**  trans-58.5144.1-179.4-165.420.5000115.2N115N115-D117 PolarHBondContact O-N 2.91Å
118S35.7Very low46.2Very low83 Ų83134.6 Ų134.658%0.5870%0.696SS**  trans6.7128144.9-172.90000118.2
119F32.8Very low44.3Very low207 Ų207133.8 Ų133.891%0.90871%0.706SS**  -160.1132.4126.4-113.5-84.6000111
120H40.4Very low42.6Very low135 Ų135136.5 Ų136.563%0.62573%0.725SS**  trans-83.4148.7-179.9-166.4-85000110.4D122H120-D122 VanDerWaalsContact CE1-CG 3.48Å; H120-D122 IonicContact CE1-OD1 3.48Å; H120-D122 PolarHBondContact CE1-OD1 2.62Å; H120-D122 IonicContact CE1-OD2 3.7Å; H120-D122 PolarHBondContact CE1-OD2 2.71Å; H120-D122 VanDerWaalsContact CE1-OD2 3.25Å; H120-D122 IonicContact ND1-OD1 3.06Å; H120-D122 PolarHBondContact ND1-OD1 2.72Å; H120-D122 IonicContact ND1-OD2 3.85Å; H120-D122 PolarHBondContact ND1-OD2 3.38Å; H120-D122 IonicContact NE2-OD1 2.75Å
121E37.5Very low40.9Very low174 Ų174140.8 Ų140.881%0.81374%0.739SS**  trans163.497.8137.9-89.6173.6-177.400111.8
122D32.3Very low39.3Very low116 Ų116145.6 Ų145.662%0.6276%0.759SS**  19.1115.6118.7-14-42000117H120H120-D122 VanDerWaalsContact CE1-CG 3.48Å; H120-D122 IonicContact CE1-OD1 3.48Å; H120-D122 PolarHBondContact CE1-OD1 2.62Å; H120-D122 IonicContact CE1-OD2 3.7Å; H120-D122 PolarHBondContact CE1-OD2 2.71Å; H120-D122 VanDerWaalsContact CE1-OD2 3.25Å; H120-D122 IonicContact ND1-OD1 3.06Å; H120-D122 PolarHBondContact ND1-OD1 2.72Å; H120-D122 IonicContact ND1-OD2 3.85Å; H120-D122 PolarHBondContact ND1-OD2 3.38Å; H120-D122 IonicContact NE2-OD1 2.75Å
123E35.7Very low37.8Very low200 Ų200151.5 Ų151.594%0.93577%0.771SS**  trans-141.4113.2141.9-94.8-162.3161.600111.2
124E37.3Very low36.5Very low176 Ų176151.3 Ų151.382%0.82278%0.775SS**  trans-66130.6167.4174.7175.9-16700110.7
125F32.3Very low35.6Very low191 Ų191155.2 Ų155.284%0.83878%0.783SS**  trans-142.898164.1-165-102.4000111.2A127F125-A127 HydrophobicContact CE1-CB 3.96Å
126E38.6Very low34.4Very low171 Ų171155.7 Ų155.780%0.79979%0.786SS**  trans-75.1137.5163-76.8-160.6144.900110.9
127A33.8Very low33.8Very low80 Ų80164.2 Ų164.266%0.66180%0.797SS**  trans-154.488.8156.500000111.7F125F125-A127 HydrophobicContact CE1-CB 3.96Å
128D29.8Very low33.6Very low157 Ų157160.7 Ų160.784%0.8480%0.795SS**  trans33.9133.3133.1-130.1-15000122.4
129T35.3Very low33.4Very low113 Ų113166.7 Ų166.769%0.69381%0.811SS**  trans-80.5161174.761.90000112
130P35.3Very low33.2Very low128 Ų128161.8 Ų161.883%0.83180%0.802SS**  -137.3134.712627-10.4000114.8
131K32.9Very low32.7Very low194 Ų194166.9 Ų166.984%0.84382%0.816SS**  trans-55.5140.1163.6-66.4167176168.40111.6
132K32.2Very low32.1Very low200 Ų200162.3 Ų162.387%0.8782%0.815SS**  trans-157.1115.3145.1-114.7168.1-176.5171.40114.4
133K30.7Very low32Very low194 Ų194162.8 Ų162.884%0.84383%0.827SS**  trans64.591.6132.1-117.6172.4-179.8176.10120.4
134N29.7Very low31.8Very low143 Ų143159 Ų15977%0.76582%0.818SS**  7.6123.9124.4-147.94.1000118.4
135R33Very low31.6Very low241 Ų241162.8 Ų162.891%0.90983%0.825SS**  trans-161.7111.3144.9-121.4177.7156.4-178.7-6112.7
136N29.9Very low31.8Very low151 Ų151165.3 Ų165.381%0.80783%0.829SS**  trans-75.8141.6162.6-88.514.8000112.2
137R32.2Very low31.4Very low247 Ų247168.4 Ų168.493%0.93283%0.833SS**  trans177.8125.8147.9-109.3178.2162.3-171.1-4.4105.3
138G27.7Very low31.2Very low73 Ų73171 Ų17175%0.75384%0.841SS**  cis117.4121.525.600000109.2
139K32.7Very low31.1Very low210 Ų210172.2 Ų172.291%0.91384%0.842SS**  trans87.3104.7160-76.1166.9168.3167.40121.4
140S27.3Very low30.8Very low104 Ų104172.1 Ų172.173%0.72785%0.845SS**  67.814393.8-148.80000121.9
141R30.5Very low30.6Very low242 Ų242172 Ų17291%0.91384%0.842SS**  trans82.2122.8167.1-57.4179.3170.5160.6-4.4114.6
142G25.7Very low30.4Very low77 Ų77170.2 Ų170.279%0.79484%0.842SS**  cis111.8116.824.600000108.2
143S29.3Very low30.4Very low127 Ų127165.7 Ų165.789%0.88884%0.841SS**  trans-176.5130.4151.5-159.10000113.5
144T31.8Very low30.6Very low121 Ų121165 Ų16574%0.74284%0.841SS**  trans-76.3151174.9-25.90000111.8
145R33.9Very low30.5Very low254 Ų254166.2 Ų166.296%0.95885%0.848SS**  trans-163127.6143.6-110.7169-175.5177.71.3112.3
146R35.8Very low30.7Very low244 Ų244161.6 Ų161.692%0.92184%0.84SS**  trans-87.8152.2170.8-68.1179.6171.3177.2-3.6110.8
147R29.7Very low30.6Very low237 Ų237161.7 Ų161.789%0.89484%0.841SS**  trans-168.8104.5148.5-148.1171.8-174.3-160.9-0.6110
148T29.2Very low30.6Very low133 Ų133158.4 Ų158.482%0.81683%0.833SS**  79.4123.195.5-38.50000115.3
149E27.9Very low30.8Very low184 Ų184159.9 Ų159.986%0.8683%0.83SS**  trans-68.2162.5177.7-72.4164.711300115.7
150S29Very low30.5Very low110 Ų110160.4 Ų160.477%0.76983%0.827SS**  trans-170.7121.413016.90000113.8
151V30.8Very low30.6Very low125 Ų125161.4 Ų161.476%0.75882%0.824SS**  trans37119.7137.2-82.80000124.6
152N29.9Very low30.6Very low158 Ų158155.6 Ų155.685%0.84582%0.818SS**  43.9126.6127.9-63.9-27.1000123.4
153A31.7Very low30.8Very low104 Ų104158.3 Ų158.386%0.8682%0.815SS**  trans-158.4143.413500000109.6
154E34.1Very low31Very low180 Ų180159.9 Ų159.984%0.84181%0.813SS**  trans-86.4153-159.3-56.1172.3136.900113.4
155D29.3Very low31.1Very low168 Ų168164.7 Ų164.790%0.89882%0.818SS**  trans-145.6118.1148-149.21.4000110.4
156L35.8Very low31Very low144 Ų144162 Ų16275%0.75481%0.809SS**  trans-98122.9-177.9-76.8157.9000107.7
157D29.2Very low31Very low153 Ų153157.8 Ų157.882%0.81880%0.798SS**  -159.7116.1129.5-134.8-20.6000112.7
158K31.4Very low31.1Very low178 Ų178156.1 Ų156.177%0.77480%0.8SS**  trans-146.7109.7174.1-164.4177.8-168.3-177.80107.6
159P30.8Very low31.4Very low105 Ų105159 Ų15968%0.68280%0.801SS**  trans-125.5130.2152.733.3-19.2000108.3
160Y28.1Very low31.6Very low220 Ų220158.8 Ų158.886%0.86380%0.799SS**  cis-153.6125.542.1-136.1-100.7000108.6
161I27.8Very low31.6Very low126 Ų126160.9 Ų160.965%0.64680%0.802SS**  trans-94.3123.7166.1-66.5179.8000106.1D163I161-D163 PolarHBondContact O-N 2.93Å
162C30.3Very low32.3Very low119 Ų119160.2 Ų160.280%0.80480%0.803SS**  trans-77.6101.4168.4-175.50000108.4N164C162-N164 PolarHBondContact O-N 2.89Å
163D30.8Very low32.6Very low134 Ų134162.4 Ų162.472%0.71781%0.805SS**  trans-71.4116.4175.2-119.2-28.2000110.3I161I161-D163 PolarHBondContact O-N 2.93Å
164N33.1Very low32.8Very low161 Ų161166.7 Ų166.786%0.86181%0.805SS**  trans-96.687.8167.1-128.5-21.1000108.1C162C162-N164 PolarHBondContact O-N 2.89Å
165R33.7Very low33Very low222 Ų222162.8 Ų162.884%0.83880%0.803SS**  trans-152.887.1169.1-140.2-176.7-79.8-161.8-1.7114.1
166Y31.5Very low33.6Very low197 Ų197162.6 Ų162.677%0.77380%0.797SS**SBendtrans-136.397.7145.6-149.8-102000112
167K36.4Very low34.2Very low156 Ų156164.6 Ų164.668%0.67880%0.802SS**  trans62.999.9154.5-63.5-177.1179.2166.30119
168Q32Very low35.1Very low201 Ų201160.8 Ų160.894%0.93978%0.784SS**  -143.2125.5117.6-119.6171.112.100109.8
169K35.8Very low35.9Very low194 Ų194153.7 Ų153.784%0.84376%0.757SS**  trans-82.4150175-85.5179.5170-179.60109.1
170H32.2Very low37.1Very low179 Ų179152 Ų15283%0.82976%0.758SS**  trans94.3127.2165.5-76.4-84.2000118.9
171N29.7Very low38.5Very low154 Ų154145 Ų14582%0.82473%0.732SS**  trans83.2104.5163-88.72.2000120.1
172S45.2Very low40Very low112 Ų112146.7 Ų146.778%0.78373%0.731SS**  trans-0.7119.7141.6-172.30000116
173K36.4Very low41.8Very low203 Ų203141.5 Ų141.588%0.88369%0.694SS**  trans-159.2132.8130.6-105.7169.9-176.9-167.50109.3
174K35.4Very low43.6Very low195 Ų195137.9 Ų137.985%0.84867%0.672SS**  trans-48.3127179-170.7177.6178.3-1730109.6E176K174-E176 PolarHBondContact O-N 2.77Å
175A37.7Very low45.4Very low98 Ų98130.7 Ų130.781%0.8163%0.634SS**  trans-61.4111.4169.900000107.6E177A175-E177 PolarHBondContact O-N 2.93Å
176E42.3Very low47.2Very low163 Ų163130.1 Ų130.176%0.76263%0.631SS**  trans-55.5133.3174-75170.6166.400109.7K174 V178K174-E176 PolarHBondContact O-N 2.77Å; E176-V178 VanDerWaalsContact C-N 3.32Å; E176-V178 PolarHBondContact O-N 3.37Å
177E48.4Very low49Very low186 Ų186121.4 Ų121.487%0.86960%0.599SS**  trans-67.392.1174.5-162.6168.3-173.700107.6A175 C179A175-E177 PolarHBondContact O-N 2.93Å; E177-C179 PolarHBondContact O-N 3.23Å; E177-C179 VanDerWaalsContact O-N 3.14Å
178V47.9Very low50.7Low73 Ų73114 Ų11444%0.44257%0.568SS.*  trans-55.3119179.5176.90000108.8E176 G180E176-V178 VanDerWaalsContact C-N 3.32Å; E176-V178 PolarHBondContact O-N 3.37Å; V178-G180 PolarHBondContact O-N 2.75Å
179C49Very low52.6Low30 Ų30106.7 Ų106.720%0.20353%0.534CS..  trans-50133.5178.3173.40000111.2E177 K181 H192 H197E177-C179 PolarHBondContact O-N 3.23Å; E177-C179 VanDerWaalsContact O-N 3.14Å; C179-K181 PolarHBondContact O-N 2.89Å; C179-H192 PolarHBondContact SG-CE1 2.89Å; C179-H192 PolarHBondContact SG-NE2 3.32Å; C179-H197 VanDerWaalsContact CB-NE2 3.27Å; C179-H197 WeakPolarHBondContact CB-NE2 3.28Å
180G54.6Low54.3Low69 Ų6998.6 Ų98.671%0.71150%0.502SS*.SBendtrans-67.5-13-173.600000115.2V178 R182V178-G180 PolarHBondContact O-N 2.75Å; G180-R182 PolarHBondContact O-N 3.44Å
181K57.9Low56.2Low72 Ų7290.7 Ų90.731%0.31347%0.465SS..  trans-76.188.8172.9-63.5179.2179.5176.40109.4C179 Y183 H192 E291C179-K181 PolarHBondContact O-N 2.89Å; K181-Y183 HydrophobicContact CB-CE2 3.93Å; K181-Y183 PolarHBondContact O-N 3.28Å; K181-H192 PolarHBondContact O-CE1 3.21Å; K181-H192 PolarHBondContact O-ND1 2.93Å; K181-E291 IonicContact NZ-OE1 3.11Å; K181-E291 IonicContact NZ-OE2 3.23Å; K181-E291 PolarHBondContact NZ-OE2 3.48Å
182R59.3Low58.3Low163 Ų16383.6 Ų83.662%0.61543%0.427SS*.  trans-94.289.8179.7-68.3-175.3179.3-146.6-0.1110.3G180G180-R182 PolarHBondContact O-N 3.44Å
183Y69.1Low59.5Low9 Ų983.6 Ų83.64%0.03541%0.411CS..  trans-61.1146.4164.5-54.3-77.4000109.6K181 L189 H192 I290 F309K181-Y183 HydrophobicContact CB-CE2 3.93Å; K181-Y183 PolarHBondContact O-N 3.28Å; Y183-L189 VanDerWaalsContact O-CD1 3.26Å; Y183-L189 WeakPolarHBondContact O-CD1 3.36Å; Y183-L189 VanDerWaalsContact O-CD2 3.3Å; Y183-L189 WeakPolarHBondContact O-CD2 3.41Å; Y183-L189 WeakPolarHBondContact O-CG 3.38Å; Y183-H192 HydrophobicContact CD2-CB 3.37Å; Y183-H192 AromaticContact CD2-CG 3.61Å; Y183-H192 HydrophobicContact CE2-CB 3.41Å; Y183-H192 VanDerWaalsContact CE2-CB 3.41Å; Y183-H192 AromaticContact CE2-CD2 3.39Å; Y183-H192 WeakPolarHBondContact CE2-CD2 3.49Å; Y183-H192 AromaticContact CE2-CG 3.32Å; Y183-H192 AromaticContact CE2-ND1 3.97Å; Y183-I290 HydrophobicContact CD1-CD1 3.69Å; Y183-I290 HydrophobicContact CD1-CG1 3.78Å; Y183-I290 HydrophobicContact CD2-CD1 3.44Å; Y183-I290 VanDerWaalsContact CD2-CD1 3.44Å; Y183-I290 HydrophobicContact CD2-CG1 4.31Å; Y183-I290 HydrophobicContact CE1-CD1 3.61Å; Y183-I290 HydrophobicContact CE1-CG1 3.35Å; Y183-I290 HydrophobicContact CE2-CD1 3.37Å; Y183-I290 HydrophobicContact CE2-CG1 3.95Å; Y183-I290 HydrophobicContact CG-CD1 3.57Å; Y183-I290 HydrophobicContact CG-CG1 4.21Å; Y183-I290 VanDerWaalsContact CZ-CD1 3.41Å; Y183-I290 VanDerWaalsContact CZ-CG1 3.42Å; Y183-F309 HydrophobicContact CD1-CE1 4.15Å; Y183-F309 AromaticContact CD1-CE2 3.71Å; Y183-F309 HydrophobicContact CD1-CE2 3.71Å; Y183-F309 AromaticContact CD1-CZ 3.26Å; Y183-F309 HydrophobicContact CD1-CZ 3.26Å; Y183-F309 HydrophobicContact CE1-CE2 4.34Å; Y183-F309 AromaticContact CE1-CZ 3.65Å; Y183-F309 HydrophobicContact CE1-CZ 3.65Å; Y183-F309 HydrophobicContact CG-CE2 4.27Å; Y183-F309 HydrophobicContact CG-CZ 4.24Å
184K68.7Low60.9Low59 Ų5975.9 Ų75.926%0.25738%0.381SS..SBendtrans-99.3-15.1-166.5-78.3165.5170.4176.80114.6D305 L308 M319 P329K184-D305 WeakPolarHBondContact CE-O 3.35Å; K184-D305 PolarHBondContact NZ-O 3.39Å; K184-L308 HydrophobicContact CB-CD2 3.5Å; K184-L308 VanDerWaalsContact CB-CD2 3.5Å; K184-L308 HydrophobicContact CD-CD2 3.56Å; K184-L308 HydrophobicContact CG-CD2 4.11Å; K184-M319 HydrophobicContact CD-SD 3.8Å; K184-M319 PolarHBondContact NZ-SD 3.41Å; K184-P329 HydrophobicContact CB-CB 4.09Å; K184-P329 HydrophobicContact CD-CB 3.81Å; K184-P329 HydrophobicContact CD-CG 4.28Å; K184-P329 HydrophobicContact CG-CB 3.87Å; K184-P329 HydrophobicContact CG-CG 4.36Å
185N70.2Confident62.2Low10 Ų1068.9 Ų68.95%0.05335%0.351CS..SBendtrans-107159.117654.445.9000111.9G188 L189 F309 D311N185-G188 WeakPolarHBondContact OD1-CA 3.3Å; N185-G188 PolarHBondContact OD1-N 3.27Å; N185-L189 VanDerWaalsContact O-CB 3.28Å; N185-L189 WeakPolarHBondContact O-CB 3.34Å; N185-L189 WeakPolarHBondContact O-CD1 3.39Å; N185-L189 WeakPolarHBondContact O-CG 3.45Å; N185-L189 PolarHBondContact O-N 3.49Å; N185-F309 WeakPolarHBondContact ND2-CA 2.99Å; N185-F309 WeakPolarHBondContact ND2-CB 3.47Å; N185-F309 VanDerWaalsContact ND2-CG 3.34Å; N185-F309 WeakPolarHBondContact ND2-CG 3.19Å; N185-F309 PolarHBondContact ND2-N 3.45Å; N185-F309 PolarHBondContact ND2-O 3.48Å; N185-D311 WeakPolarHBondContact CB-OD1 3.42Å
186R70.8Confident63.5Low209 Ų20966.4 Ų66.479%0.78933%0.326SS*.Hα-helixtrans-60-45.4-178.3-163.475.6170.3-156.2-1.1113L189 S190R186-L189 PolarHBondContact O-N 3.35Å; R186-S190 PolarHBondContact O-N 3.09Å
187P69.6Low64Low14 Ų1461.6 Ų61.69%0.09130%0.303CS..Hα-helixtrans-65.7-45.3-178.9-22.236.1000112.4S190 Y191 M278 D311P187-S190 PolarHBondContact O-N 3.38Å; P187-Y191 WeakPolarHBondContact O-CB 3.27Å; P187-Y191 PolarHBondContact O-N 2.85Å; P187-M278 HydrophobicContact CB-CE 4.14Å; P187-M278 HydrophobicContact CG-CE 4.21Å; P187-D311 WeakPolarHBondContact CD-OD1 3.32Å
188G71.6Confident64.2Low2 Ų259.8 Ų59.82%0.02130%0.299CS..Hα-helixtrans-64.5-41.7176.600000112.5N185 Y191 H192 I290N185-G188 WeakPolarHBondContact OD1-CA 3.3Å; N185-G188 PolarHBondContact OD1-N 3.27Å; G188-Y191 PolarHBondContact O-N 3.41Å; G188-H192 WeakPolarHBondContact O-CB 3.36Å; G188-H192 PolarHBondContact O-N 3.18Å; G188-I290 WeakPolarHBondContact O-CD1 3.31Å
189L73.3Confident63.9Low46 Ų4660.4 Ų60.424%0.24131%0.311CS..Hα-helixtrans-59-50.2172.8-84.5156.3000111.6Y183 N185 R186 Y191 H192 Y193Y183-L189 VanDerWaalsContact O-CD1 3.26Å; Y183-L189 WeakPolarHBondContact O-CD1 3.36Å; Y183-L189 VanDerWaalsContact O-CD2 3.3Å; Y183-L189 WeakPolarHBondContact O-CD2 3.41Å; Y183-L189 WeakPolarHBondContact O-CG 3.38Å; N185-L189 VanDerWaalsContact O-CB 3.28Å; N185-L189 WeakPolarHBondContact O-CB 3.34Å; N185-L189 WeakPolarHBondContact O-CD1 3.39Å; N185-L189 WeakPolarHBondContact O-CG 3.45Å; N185-L189 PolarHBondContact O-N 3.49Å; R186-L189 PolarHBondContact O-N 3.35Å; L189-Y191 VanDerWaalsContact C-N 3.33Å; L189-Y191 PolarHBondContact O-N 3.11Å; L189-H192 PolarHBondContact O-N 3.48Å; L189-Y193 HydrophobicContact CB-CD2 4.4Å; L189-Y193 HydrophobicContact CB-CE2 4.29Å; L189-Y193 HydrophobicContact CD2-CE2 3.88Å; L189-Y193 WeakPolarHBondContact O-CD2 3.37Å; L189-Y193 PolarHBondContact O-N 3.15Å
190S71.6Confident63.4Low24 Ų2467 Ų6717%0.16834%0.339CS..Hα-helixtrans-61.9-43.1-178.6-173.50000111.9R186 P187 H192 Y193 T194 Q273R186-S190 PolarHBondContact O-N 3.09Å; P187-S190 PolarHBondContact O-N 3.38Å; S190-H192 VanDerWaalsContact C-N 3.34Å; S190-H192 PolarHBondContact O-N 3.34Å; S190-Y193 PolarHBondContact O-N 2.91Å; S190-T194 PolarHBondContact O-N 3.26Å; S190-T194 VanDerWaalsContact O-N 3.11Å; S190-T194 PolarHBondContact O-OG1 3.5Å; S190-Q273 PolarHBondContact OG-NE2 3.22Å; S190-Q273 PolarHBondContact OG-OE1 3.49Å
191Y71.1Confident62.7Low14 Ų1472.8 Ų72.86%0.05535%0.348CS..Hα-helixtrans-58.3-48.7176.3-176.5-73.6000110.5P187 G188 L189 Y193 T194 H195 F240 L272 I290P187-Y191 WeakPolarHBondContact O-CB 3.27Å; P187-Y191 PolarHBondContact O-N 2.85Å; G188-Y191 PolarHBondContact O-N 3.41Å; L189-Y191 VanDerWaalsContact C-N 3.33Å; L189-Y191 PolarHBondContact O-N 3.11Å; Y191-Y193 PolarHBondContact O-N 3.42Å; Y191-T194 WeakPolarHBondContact CA-OG1 3.39Å; Y191-T194 PolarHBondContact O-N 3.47Å; Y191-T194 PolarHBondContact O-OG1 3.38Å; Y191-H195 HydrophobicContact CD1-CB 4.44Å; Y191-H195 AromaticContact CD1-CD2 3.37Å; Y191-H195 WeakPolarHBondContact CD1-CD2 3.46Å; Y191-H195 AromaticContact CD2-CD2 3.78Å; Y191-H195 AromaticContact CD2-NE2 3.89Å; Y191-H195 HydrophobicContact CE1-CB 4.14Å; Y191-H195 AromaticContact CE1-CD2 3.09Å; Y191-H195 WeakPolarHBondContact CE1-CD2 3.48Å; Y191-H195 AromaticContact CE1-CG 3.72Å; Y191-H195 AromaticContact CE1-NE2 3.72Å; Y191-H195 AromaticContact CE2-CD2 3.5Å; Y191-H195 AromaticContact CE2-NE2 3.31Å; Y191-H195 VanDerWaalsContact CE2-NE2 3.31Å; Y191-H195 WeakPolarHBondContact CE2-NE2 3.25Å; Y191-H195 AromaticContact CG-CD2 3.7Å; Y191-H195 AromaticContact CZ-CD2 3.15Å; Y191-H195 AromaticContact CZ-CG 3.97Å; Y191-H195 AromaticContact CZ-NE2 3.22Å; Y191-H195 WeakPolarHBondContact O-CB 3.4Å; Y191-H195 PolarHBondContact O-CD2 2.93Å; Y191-H195 PolarHBondContact O-N 3.31Å; Y191-H195 PolarHBondContact OH-NE2 3.42Å; Y191-F240 HydrophobicContact CD2-CE1 4.49Å; Y191-F240 HydrophobicContact CD2-CE2 4.2Å; Y191-F240 AromaticContact CD2-CZ 3.5Å; Y191-F240 HydrophobicContact CD2-CZ 3.5Å; Y191-F240 VanDerWaalsContact CD2-CZ 3.5Å; Y191-F240 AromaticContact CE2-CE2 3.84Å; Y191-F240 HydrophobicContact CE2-CE2 3.84Å; Y191-F240 AromaticContact CE2-CZ 3.56Å; Y191-F240 HydrophobicContact CE2-CZ 3.56Å; Y191-F240 HydrophobicContact CG-CZ 4.33Å; Y191-L272 HydrophobicContact CD2-CD2 3.33Å; Y191-L272 HydrophobicContact CE2-CD2 3.23Å; Y191-I290 HydrophobicContact CD1-CB 3.41Å; Y191-I290 VanDerWaalsContact CD1-CB 3.41Å; Y191-I290 HydrophobicContact CD1-CD1 3.9Å; Y191-I290 HydrophobicContact CD1-CG1 4.26Å; Y191-I290 HydrophobicContact CD1-CG2 3.27Å; Y191-I290 HydrophobicContact CE1-CB 3.6Å; Y191-I290 HydrophobicContact CE1-CG2 3.21Å; Y191-I290 HydrophobicContact CG-CB 4.27Å; Y191-I290 HydrophobicContact CG-CD1 4.44Å; Y191-I290 HydrophobicContact CG-CG2 4.5Å
192H73.8Confident61.9Low4 Ų478.4 Ų78.42%0.01938%0.375CS..Hα-helixtrans-59.4-47.1178.4178-122.6000112.9C179 K181 Y183 G188 L189 S190 T194 H195 T196 I290C179-H192 PolarHBondContact SG-CE1 2.89Å; C179-H192 PolarHBondContact SG-NE2 3.32Å; K181-H192 PolarHBondContact O-CE1 3.21Å; K181-H192 PolarHBondContact O-ND1 2.93Å; Y183-H192 HydrophobicContact CD2-CB 3.37Å; Y183-H192 AromaticContact CD2-CG 3.61Å; Y183-H192 HydrophobicContact CE2-CB 3.41Å; Y183-H192 VanDerWaalsContact CE2-CB 3.41Å; Y183-H192 AromaticContact CE2-CD2 3.39Å; Y183-H192 WeakPolarHBondContact CE2-CD2 3.49Å; Y183-H192 AromaticContact CE2-CG 3.32Å; Y183-H192 AromaticContact CE2-ND1 3.97Å; G188-H192 WeakPolarHBondContact O-CB 3.36Å; G188-H192 PolarHBondContact O-N 3.18Å; L189-H192 PolarHBondContact O-N 3.48Å; S190-H192 VanDerWaalsContact C-N 3.34Å; S190-H192 PolarHBondContact O-N 3.34Å; H192-T194 PolarHBondContact O-N 3.06Å; H192-H195 PolarHBondContact O-N 3.06Å; H192-H195 VanDerWaalsContact O-N 3.07Å; H192-T196 PolarHBondContact CD2-OG1 2.97Å; H192-T196 PolarHBondContact NE2-OG1 2.66Å; H192-T196 PolarHBondContact O-N 3.31Å; H192-T196 PolarHBondContact O-OG1 2.8Å; H192-I290 HydrophobicContact CB-CD1 3.84Å
193Y70.2Confident60.6Low113 Ų11374 Ų7444%0.44338%0.38SS..Hα-helixtrans-55.3-43.8178.6-82.3-62.6000111.5L189 S190 Y191 H195L189-Y193 HydrophobicContact CB-CD2 4.4Å; L189-Y193 HydrophobicContact CB-CE2 4.29Å; L189-Y193 HydrophobicContact CD2-CE2 3.88Å; L189-Y193 WeakPolarHBondContact O-CD2 3.37Å; L189-Y193 PolarHBondContact O-N 3.15Å; S190-Y193 PolarHBondContact O-N 2.91Å; Y191-Y193 PolarHBondContact O-N 3.42Å; Y193-H195 PolarHBondContact O-N 2.88Å
194T66.1Low59.1Low41 Ų4183.2 Ų83.225%0.25242%0.424SS..Hα-helixtrans-73.2-23.3179.348.60000114.4S190 Y191 H192 L198 F240S190-T194 PolarHBondContact O-N 3.26Å; S190-T194 VanDerWaalsContact O-N 3.11Å; S190-T194 PolarHBondContact O-OG1 3.5Å; Y191-T194 WeakPolarHBondContact CA-OG1 3.39Å; Y191-T194 PolarHBondContact O-N 3.47Å; Y191-T194 PolarHBondContact O-OG1 3.38Å; H192-T194 PolarHBondContact O-N 3.06Å; T194-L198 WeakPolarHBondContact O-CD1 3.44Å; T194-L198 WeakPolarHBondContact O-CG 3.43Å; T194-F240 HydrophobicContact CG2-CE1 4.38Å; T194-F240 WeakPolarHBondContact OG1-CE1 3.36Å
195H63.4Low57.9Low48 Ų4889.8 Ų89.822%0.22246%0.455CS..Hα-helixtrans-104.7-16-172.5-78.7-66.9000115.2Y191 H192 Y193 F240Y191-H195 HydrophobicContact CD1-CB 4.44Å; Y191-H195 AromaticContact CD1-CD2 3.37Å; Y191-H195 WeakPolarHBondContact CD1-CD2 3.46Å; Y191-H195 AromaticContact CD2-CD2 3.78Å; Y191-H195 AromaticContact CD2-NE2 3.89Å; Y191-H195 HydrophobicContact CE1-CB 4.14Å; Y191-H195 AromaticContact CE1-CD2 3.09Å; Y191-H195 WeakPolarHBondContact CE1-CD2 3.48Å; Y191-H195 AromaticContact CE1-CG 3.72Å; Y191-H195 AromaticContact CE1-NE2 3.72Å; Y191-H195 AromaticContact CE2-CD2 3.5Å; Y191-H195 AromaticContact CE2-NE2 3.31Å; Y191-H195 VanDerWaalsContact CE2-NE2 3.31Å; Y191-H195 WeakPolarHBondContact CE2-NE2 3.25Å; Y191-H195 AromaticContact CG-CD2 3.7Å; Y191-H195 AromaticContact CZ-CD2 3.15Å; Y191-H195 AromaticContact CZ-CG 3.97Å; Y191-H195 AromaticContact CZ-NE2 3.22Å; Y191-H195 WeakPolarHBondContact O-CB 3.4Å; Y191-H195 PolarHBondContact O-CD2 2.93Å; Y191-H195 PolarHBondContact O-N 3.31Å; Y191-H195 PolarHBondContact OH-NE2 3.42Å; H192-H195 PolarHBondContact O-N 3.06Å; H192-H195 VanDerWaalsContact O-N 3.07Å; Y193-H195 PolarHBondContact O-N 2.88Å; H195-F240 AromaticContact CD2-CE1 3.77Å; H195-F240 AromaticContact CD2-CZ 3.57Å; H195-F240 AromaticContact CE1-CE2 3.81Å; H195-F240 AromaticContact CE1-CZ 3.84Å; H195-F240 AromaticContact NE2-CD1 3.86Å; H195-F240 AromaticContact NE2-CD2 3.8Å; H195-F240 AromaticContact NE2-CE1 3.25Å; H195-F240 WeakPolarHBondContact NE2-CE1 3.48Å; H195-F240 AromaticContact NE2-CE2 3.11Å; H195-F240 WeakPolarHBondContact NE2-CE2 3.42Å; H195-F240 AromaticContact NE2-CZ 2.82Å; H195-F240 WeakPolarHBondContact NE2-CZ 3.37Å
196T64.3Low56.3Low45 Ų4598.4 Ų98.428%0.27650%0.495SS..Hα-helixtrans-111.8-23.2-177.1-500000112.9H192H192-T196 PolarHBondContact CD2-OG1 2.97Å; H192-T196 PolarHBondContact NE2-OG1 2.66Å; H192-T196 PolarHBondContact O-N 3.31Å; H192-T196 PolarHBondContact O-OG1 2.8Å
197H52.6Low54.9Low63 Ų6397.3 Ų97.329%0.29250%0.496SS..SBendtrans-104.2-2.9-176.7-71.3-73.3000115.3C179 A199C179-H197 VanDerWaalsContact CB-NE2 3.27Å; C179-H197 WeakPolarHBondContact CB-NE2 3.28Å; H197-A199 VanDerWaalsContact C-N 3.29Å; H197-A199 PolarHBondContact O-N 2.89Å
198L52.9Low53.1Low148 Ų148103.6 Ų103.678%0.77553%0.529SS*.THydrogen-bonded Turntrans-84.75.8176.5-68.7-177.5000114.3T194T194-L198 WeakPolarHBondContact O-CD1 3.44Å; T194-L198 WeakPolarHBondContact O-CG 3.43Å
199A42.3Very low51.4Low86 Ų86107.3 Ų107.371%0.71156%0.56SS**THydrogen-bonded Turntrans-112.75.8-174.900000115.1H197H197-A199 VanDerWaalsContact C-N 3.29Å; H197-A199 PolarHBondContact O-N 2.89Å
200E39.2Very low49.5Very low167 Ų167114 Ų11478%0.7859%0.589SS**  trans-119.97.3-176.7-64.8-168.9164.800115.6E202E200-E202 VanDerWaalsContact C-N 3.33Å; E200-E202 PolarHBondContact O-N 3.41Å
201E38.2Very low47.6Very low192 Ų192119.2 Ų119.290%0.89762%0.62SS**  trans-89.372.5163.1-82-158151.300110.4
202E41.8Very low45.7Very low190 Ų190122.7 Ų122.789%0.88865%0.652SS**  trans-72.9115.4149.2-65.4-177.7162.600105.7E200E200-E202 VanDerWaalsContact C-N 3.33Å; E200-E202 PolarHBondContact O-N 3.41Å
203G32.3Very low43.9Very low70 Ų70128.4 Ų128.472%0.72269%0.69SS**  87.270.65100000108.5E205G203-E205 PolarHBondContact O-N 3.15Å
204E36.3Very low42.2Very low202 Ų202128.5 Ų128.594%0.94471%0.707SS**  trans-74.4118.7166.118.1-176169.500108.7
205E44.2Very low40.5Very low197 Ų197132.1 Ų132.192%0.92173%0.734SS**  trans-84132.3-173-152.1-174-167.700111.2G203G203-E205 PolarHBondContact O-N 3.15Å
206E36.6Very low39.5Very low192 Ų192134.1 Ų134.190%0.89775%0.751SS**  trans-144.3127.5151.1-160.2174.4-176.200111.4
207K41.1Very low38.2Very low186 Ų186140.2 Ų140.281%0.80978%0.776SS**  trans-37.2156.1176.5-77.3166.7162.6176.60116.1
208D32.5Very low37.3Very low146 Ų146142 Ų14278%0.78180%0.795SS**  cis-170.6157.145.9-139.8-38.3000112.7
209A36.7Very low36.9Very low80 Ų80140.9 Ų140.966%0.66180%0.8SS**  trans56.4125.3154.500000126.3
210E32.9Very low37Very low185 Ų185142.3 Ų142.386%0.86480%0.796SS**  trans62.6106146.3-78.3-175.2109.400122.1
211T31.1Very low37Very low134 Ų134140.9 Ų140.982%0.82279%0.794SS**  166.1126.6100.2-50.10000108.4
212A32.5Very low37.8Very low87 Ų87139.3 Ų139.372%0.71979%0.786SS**  trans-68.3152.2174.500000111.7
213P34.5Very low38.6Very low124 Ų124137.9 Ų137.981%0.80578%0.777SS**  -127149.787.527.4-12.7000113S215P213-S215 PolarHBondContact O-N 3.23Å
214S34.1Very low40.2Very low116 Ų116136.5 Ų136.581%0.81176%0.755SS**  trans-42111.1178.646.30000114.5
215S30.8Very low41.9Very low117 Ų117133.1 Ų133.182%0.81874%0.739SS**  trans-89.8122.1157.8-165.20000108.1P213P213-S215 PolarHBondContact O-N 3.23Å
216P43.6Very low43.6Very low89 Ų89130.1 Ų130.158%0.57872%0.723SS**  trans-85.1151.3169.235.8-29.1000109.2
217H36.3Very low45.5Very low174 Ų174122 Ų12281%0.80669%0.691SS**  trans96.474.9165.1-48.5-64.5000117.2S219H217-S219 PolarHBondContact O-N 3.44Å
218S34.4Very low47Very low99 Ų99119 Ų11969%0.69269%0.693SS**  -8.3107.9122.8177.50000113.5D220S218-D220 PolarHBondContact O-N 2.98Å
219S42.8Very low49.1Very low125 Ų125118.6 Ų118.687%0.87469%0.691SS**SBendtrans-75.648.3170.7530000111.5H217H217-S219 PolarHBondContact O-N 3.44Å
220D44.2Very low51Low116 Ų116117 Ų11762%0.6268%0.682SS**  trans-149.166.6-174.3-124.5-28.7000110.9S218S218-D220 PolarHBondContact O-N 2.98Å
221N39.5Very low53.4Low138 Ų138112.3 Ų112.374%0.73867%0.666SS**  trans-157.692.4159.3-91.4-57.1000109.3K223N221-K223 PolarHBondContact O-N 3.3Å
222H54.5Low56.2Low158 Ų158108.3 Ų108.373%0.73164%0.64SS**  trans-6323.9165.5-74.6-85.5000113.8P224 R265H222-P224 WeakPolarHBondContact O-CD 3.47Å; H222-R265 PolarHBondContact CE1-NH2 2.78Å; H222-R265 VanDerWaalsContact CE1-NH2 3.28Å; H222-R265 PolarHBondContact ND1-NH2 3.27Å; H222-R265 VanDerWaalsContact ND1-NH2 3.12Å
223K58.9Low58.9Low161 Ų161108 Ų10870%0.763%0.625SS**  trans-99.4116.2-174.5-154.9166.6-177.2-178.40108.3N221 Q225N221-K223 PolarHBondContact O-N 3.3Å; K223-Q225 PolarHBondContact O-N 3.42Å
224P67.7Low61.7Low40 Ų40105.7 Ų105.726%0.2661%0.61SS.*  trans-53.4131.2176.612.3-23.4000110.2H222 K226 I232H222-P224 WeakPolarHBondContact O-CD 3.47Å; P224-K226 PolarHBondContact O-N 3.2Å; P224-K226 VanDerWaalsContact O-N 3.15Å; P224-I232 HydrophobicContact CB-CG1 4.48Å; P224-I232 HydrophobicContact CB-CG2 4.49Å
225Q71.4Confident64.5Low132 Ų132101.8 Ų101.862%0.61758%0.58SS**  trans-65.3112.1167.4-68-68.3-22.200106.9K223 I233K223-Q225 PolarHBondContact O-N 3.42Å; Q225-I233 HydrophobicContact CB-CB 4.24Å; Q225-I233 PolarHBondContact O-N 3.49Å
226K78.6Confident67.5Low134 Ų134102.4 Ų102.458%0.58357%0.574SS**BIsolated β-bridgetrans-104127.3177.9-71.7-174.1179.4-165.40108.8P224 T231P224-K226 PolarHBondContact O-N 3.2Å; P224-K226 VanDerWaalsContact O-N 3.15Å; K226-T231 WeakPolarHBondContact CA-O 3.43Å
227G78Confident69.8Low21 Ų21102.8 Ų102.822%0.21657%0.565CS.*  trans-64.4172170.400000111.6D229 G230 T231G227-D229 PolarHBondContact O-N 2.77Å; G227-G230 PolarHBondContact O-N 3.23Å; G227-T231 PolarHBondContact N-O 3.4Å
228S72.3Confident72.5Confident122 Ų12294.5 Ų94.585%0.85353%0.526SS*.THydrogen-bonded Turntrans-51.4-31.2175.353.90000112.9G230S228-G230 VanDerWaalsContact C-N 3.33Å
229D76.1Confident75.2Confident138 Ų13891.6 Ų91.674%0.73850%0.503SS*.THydrogen-bonded Turntrans-93.66.1-173.5-57.9-6000112.2G227 T231G227-D229 PolarHBondContact O-N 2.77Å; D229-T231 PolarHBondContact O-N 2.81Å
230G77.2Confident77.5Confident46 Ų4687.4 Ų87.447%0.47447%0.469SS..SBendtrans76.41.4-178.100000114.6G227 S228G227-G230 PolarHBondContact O-N 3.23Å; S228-G230 VanDerWaalsContact C-N 3.33Å
231T83.9Confident79.7Confident88 Ų8882.6 Ų82.654%0.5444%0.444SS..PPolyproline II helixtrans-68.2144.3170.752.90000110.4K226 G227 D229K226-T231 WeakPolarHBondContact CA-O 3.43Å; G227-T231 PolarHBondContact N-O 3.4Å; D229-T231 PolarHBondContact O-N 2.81Å
232I88.5Confident82.2Confident50 Ų5081.3 Ų81.326%0.25644%0.437SS..BIsolated β-bridgetrans-83.2124.7179.1-69.3146.3000107.4P224 P234 S261 D262 G264P224-I232 HydrophobicContact CB-CG1 4.48Å; P224-I232 HydrophobicContact CB-CG2 4.49Å; I232-P234 WeakPolarHBondContact O-CD 3.35Å; I232-S261 WeakPolarHBondContact CD1-O 3.34Å; I232-D262 VanDerWaalsContact CD1-O 3.27Å; I232-D262 WeakPolarHBondContact CD1-O 3.43Å; I232-G264 VanDerWaalsContact CG2-N 3.28Å
233I89.8Confident83.9Confident81 Ų8173.9 Ų73.942%0.41540%0.403SS..PPolyproline II helixtrans-82.9120.5-179.2-60.8171.3000107.6Q225Q225-I233 HydrophobicContact CB-CB 4.24Å; Q225-I233 PolarHBondContact O-N 3.49Å
234P92.7Very high85.5Confident75 Ų7569.8 Ų69.849%0.48739%0.389SS..PPolyproline II helixtrans-61.6143.3171.8-24.536.9000111.9I232 G264I232-P234 WeakPolarHBondContact O-CD 3.35Å; P234-G264 CarbonylContact C-O 3.56Å
235N93.1Very high86.7Confident34 Ų3472.5 Ų72.518%0.18240%0.398CS..PPolyproline II helixtrans-69139.3168.3-69-2.7000109Y237 G264 S266N235-Y237 HydrophobicContact CB-CD1 4.19Å; N235-Y237 HydrophobicContact CB-CE1 4.04Å; N235-Y237 PolarHBondContact ND2-OH 3.44Å; N235-G264 PolarHBondContact N-O 3.01Å; N235-S266 PolarHBondContact N-OG 2.85Å; N235-S266 VanDerWaalsContact O-CB 3.25Å; N235-S266 WeakPolarHBondContact O-CB 3.5Å; N235-S266 PolarHBondContact O-OG 3.15Å
236D93.3Very high87.6Confident130 Ų13072.1 Ų72.170%0.69540%0.4SS*.SBendtrans-851.7175.560.4-17.1000113D244 L257D236-D244 WeakPolarHBondContact O-CA 3.26Å; D236-L257 VanDerWaalsContact C-CD1 3.48Å; D236-L257 WeakPolarHBondContact O-CD1 3.47Å
237Y93Very high88.2Confident96 Ų9667.9 Ų67.938%0.37639%0.391SS..SBendtrans-128.7154.1178.769.2-89.7000111.8N235 D239 L242 G243 S266N235-Y237 HydrophobicContact CB-CD1 4.19Å; N235-Y237 HydrophobicContact CB-CE1 4.04Å; N235-Y237 PolarHBondContact ND2-OH 3.44Å; Y237-D239 VanDerWaalsContact CE2-OD1 3.32Å; Y237-D239 WeakPolarHBondContact CE2-OD1 3.49Å; Y237-L242 HydrophobicContact CD2-CD2 4.11Å; Y237-L242 HydrophobicContact CE2-CD2 4.27Å; Y237-G243 CarbonylContact C-O 3.33Å; Y237-G243 WeakPolarHBondContact CA-O 3.28Å; Y237-S266 WeakPolarHBondContact O-CB 2.82Å
238C93.5Very high88.8Confident0 Ų067 Ų670%038%0.381CS..BIsolated β-bridgetrans-80.7124.5174.6175.90000111.2F240 C241 L242 G243 L257 S266 H268C238-F240 PolarHBondContact O-N 3.43Å; C238-F240 PolarHBondContact SG-N 3.01Å; C238-C241 PolarHBondContact O-N 2.7Å; C238-L242 VanDerWaalsContact O-CA 3.22Å; C238-L242 WeakPolarHBondContact O-CA 3.23Å; C238-L242 PolarHBondContact O-N 2.88Å; C238-G243 WeakPolarHBondContact CB-O 3.39Å; C238-G243 PolarHBondContact N-O 2.8Å; C238-L257 HydrophobicContact CB-CD2 3.63Å; C238-S266 WeakPolarHBondContact CA-O 3.28Å; C238-H268 WeakPolarHBondContact CB-CE1 3.17Å; C238-H268 WeakPolarHBondContact CB-ND1 3.04Å; C238-H268 PolarHBondContact SG-N 2.78Å; C238-H268 VanDerWaalsContact SG-N 3.38Å; C238-H268 PolarHBondContact SG-ND1 3.34Å
239D90.9Very high89.6Confident38 Ų3870 Ų7020%0.20337%0.373CS..THydrogen-bonded Turntrans-63-14.7179.3-76.5-11.6000113.8Y237 R265 S266Y237-D239 VanDerWaalsContact CE2-OD1 3.32Å; Y237-D239 WeakPolarHBondContact CE2-OD1 3.49Å; D239-R265 VanDerWaalsContact OD2-CB 3.25Å; D239-R265 WeakPolarHBondContact OD2-CB 2.95Å; D239-R265 VanDerWaalsContact OD2-CD 3.31Å; D239-R265 WeakPolarHBondContact OD2-CD 3.31Å; D239-R265 VanDerWaalsContact OD2-CG 3.22Å; D239-R265 WeakPolarHBondContact OD2-CG 3.11Å; D239-S266 PolarHBondContact N-O 3.31Å
240F90.1Very high90.1Very high38 Ų3869.3 Ų69.317%0.16736%0.364CS..THydrogen-bonded Turntrans-96-35.9-177.5-63.8-100.4000114.5Y191 T194 H195 C238 C271 L272Y191-F240 HydrophobicContact CD2-CE1 4.49Å; Y191-F240 HydrophobicContact CD2-CE2 4.2Å; Y191-F240 AromaticContact CD2-CZ 3.5Å; Y191-F240 HydrophobicContact CD2-CZ 3.5Å; Y191-F240 VanDerWaalsContact CD2-CZ 3.5Å; Y191-F240 AromaticContact CE2-CE2 3.84Å; Y191-F240 HydrophobicContact CE2-CE2 3.84Å; Y191-F240 AromaticContact CE2-CZ 3.56Å; Y191-F240 HydrophobicContact CE2-CZ 3.56Å; Y191-F240 HydrophobicContact CG-CZ 4.33Å; T194-F240 HydrophobicContact CG2-CE1 4.38Å; T194-F240 WeakPolarHBondContact OG1-CE1 3.36Å; H195-F240 AromaticContact CD2-CE1 3.77Å; H195-F240 AromaticContact CD2-CZ 3.57Å; H195-F240 AromaticContact CE1-CE2 3.81Å; H195-F240 AromaticContact CE1-CZ 3.84Å; H195-F240 AromaticContact NE2-CD1 3.86Å; H195-F240 AromaticContact NE2-CD2 3.8Å; H195-F240 AromaticContact NE2-CE1 3.25Å; H195-F240 WeakPolarHBondContact NE2-CE1 3.48Å; H195-F240 AromaticContact NE2-CE2 3.11Å; H195-F240 WeakPolarHBondContact NE2-CE2 3.42Å; H195-F240 AromaticContact NE2-CZ 2.82Å; H195-F240 WeakPolarHBondContact NE2-CZ 3.37Å; C238-F240 PolarHBondContact O-N 3.43Å; C238-F240 PolarHBondContact SG-N 3.01Å; F240-C271 HydrophobicContact CB-CB 3.79Å; F240-C271 HydrophobicContact CD2-CB 3.88Å; F240-C271 HydrophobicContact CG-CB 3.86Å; F240-L272 HydrophobicContact CE2-CD2 3.36Å; F240-L272 HydrophobicContact CE2-CG 3.96Å; F240-L272 HydrophobicContact CZ-CD2 3.61Å; F240-L272 HydrophobicContact CZ-CG 4.35Å
241C91.8Very high90.6Very high15 Ų1570.3 Ų70.310%0.10136%0.361CS..THydrogen-bonded Turntrans-122.6-6.7-172.479.60000112.3C238 G243 R249 K250 H268C238-C241 PolarHBondContact O-N 2.7Å; C241-G243 PolarHBondContact O-N 2.77Å; C241-G243 VanDerWaalsContact O-N 3.09Å; C241-G243 PolarHBondContact SG-N 2.98Å; C241-G243 VanDerWaalsContact SG-N 3.35Å; C241-R249 HydrophobicContact CB-CB 4.11Å; C241-R249 VanDerWaalsContact O-CD 3.28Å; C241-R249 WeakPolarHBondContact O-CD 3.38Å; C241-K250 HydrophobicContact CB-CG 3.99Å; C241-H268 PolarHBondContact SG-CE1 3.24Å; C241-H268 PolarHBondContact SG-ND1 2.87Å
242L91.4Very high90.8Very high110 Ų11069.3 Ų69.358%0.57637%0.368SS*.  trans54.523.1-175.3-49.7177.9000112.9Y237 C238Y237-L242 HydrophobicContact CD2-CD2 4.11Å; Y237-L242 HydrophobicContact CE2-CD2 4.27Å; C238-L242 VanDerWaalsContact O-CA 3.22Å; C238-L242 WeakPolarHBondContact O-CA 3.23Å; C238-L242 PolarHBondContact O-N 2.88Å
243G91.1Very high90.9Very high3 Ų373.5 Ų73.53%0.03139%0.386CS..  trans-90153.1171.200000110.7Y237 C238 C241 A247Y237-G243 CarbonylContact C-O 3.33Å; Y237-G243 WeakPolarHBondContact CA-O 3.28Å; C238-G243 WeakPolarHBondContact CB-O 3.39Å; C238-G243 PolarHBondContact N-O 2.8Å; C241-G243 PolarHBondContact O-N 2.77Å; C241-G243 VanDerWaalsContact O-N 3.09Å; C241-G243 PolarHBondContact SG-N 2.98Å; C241-G243 VanDerWaalsContact SG-N 3.35Å; G243-A247 VanDerWaalsContact CA-O 3.3Å; G243-A247 WeakPolarHBondContact CA-O 3.35Å
244D92.1Very high91Very high74 Ų7473.2 Ų73.240%0.39640%0.396SS..  trans-86.8-170.717653.622.6000111.1D236 D246 A247 H268D236-D244 WeakPolarHBondContact O-CA 3.26Å; D244-D246 PolarHBondContact O-N 3.04Å; D244-D246 PolarHBondContact OD1-N 2.82Å; D244-D246 VanDerWaalsContact OD1-N 3.12Å; D244-A247 PolarHBondContact OD1-N 3.45Å; D244-H268 PolarHBondContact O-CE1 2.66Å; D244-H268 PolarHBondContact O-NE2 2.75Å
245Q92.3Very high90.9Very high97 Ų9771 Ų7145%0.45338%0.379SS..SBendtrans-63.3-29.3174.9171.7163.94000113E255Q245-E255 WeakPolarHBondContact CA-O 3.45Å; Q245-E255 CarbonylContact O-C 3.57Å; Q245-E255 PolarHBondContact O-N 3.45Å; Q245-E255 VanDerWaalsContact O-O 3.05Å
246D91.1Very high90.9Very high124 Ų12473.9 Ų73.966%0.66339%0.392SS*.SBendtrans-86-21.9-174-64.2-42000112.5D244 A254D244-D246 PolarHBondContact O-N 3.04Å; D244-D246 PolarHBondContact OD1-N 2.82Å; D244-D246 VanDerWaalsContact OD1-N 3.12Å; D246-A254 VanDerWaalsContact O-CA 3.25Å; D246-A254 WeakPolarHBondContact O-CA 3.1Å; D246-A254 VanDerWaalsContact O-CB 3.27Å; D246-A254 WeakPolarHBondContact O-CB 2.99Å
247A90.9Very high90.9Very high46 Ų4668.8 Ų68.838%0.3837%0.365SS..  trans-145.7102.8179.800000112.8G243 D244 R249G243-A247 VanDerWaalsContact CA-O 3.3Å; G243-A247 WeakPolarHBondContact CA-O 3.35Å; D244-A247 PolarHBondContact OD1-N 3.45Å; A247-R249 PolarHBondContact O-N 2.96Å
248N90.8Very high90.9Very high1 Ų164.8 Ų64.81%0.00535%0.35CS..  trans-72.9113.4162.3-179-16.2000109.8K250 T251 G252 Q253 E255 T270N248-K250 PolarHBondContact O-N 2.75Å; N248-K250 WeakPolarHBondContact OD1-CB 3.43Å; N248-K250 PolarHBondContact OD1-N 2.78Å; N248-T251 WeakPolarHBondContact CB-OG1 3.44Å; N248-T251 PolarHBondContact ND2-OG1 2.89Å; N248-T251 PolarHBondContact O-N 3.47Å; N248-G252 VanDerWaalsContact O-CA 3.27Å; N248-G252 WeakPolarHBondContact O-CA 3.33Å; N248-G252 PolarHBondContact O-N 3.42Å; N248-Q253 VanDerWaalsContact CB-O 3.27Å; N248-Q253 WeakPolarHBondContact CB-O 3.38Å; N248-Q253 PolarHBondContact N-O 3.11Å; N248-E255 HydrophobicContact CB-CB 4.33Å; N248-E255 PolarHBondContact ND2-OE2 3.48Å; N248-T270 PolarHBondContact ND2-OG1 3.4Å
249R88.1Confident91Very high186 Ų18666.6 Ų66.670%0.70236%0.363SS*.THydrogen-bonded Turntrans-66.5-17.9-178.2-61.5-163.9-176.3178.9-3.1114.6C241 A247C241-R249 HydrophobicContact CB-CB 4.11Å; C241-R249 VanDerWaalsContact O-CD 3.28Å; C241-R249 WeakPolarHBondContact O-CD 3.38Å; A247-R249 PolarHBondContact O-N 2.96Å
250K85.8Confident91.2Very high124 Ų12465 Ų6554%0.53935%0.354SS..THydrogen-bonded Turntrans-81.4-40.8176.9-70.5-171.2-176.1173.60112.5C241 N248C241-K250 HydrophobicContact CB-CG 3.99Å; N248-K250 PolarHBondContact O-N 2.75Å; N248-K250 WeakPolarHBondContact OD1-CB 3.43Å; N248-K250 PolarHBondContact OD1-N 2.78Å
251T88.1Confident91.3Very high66 Ų6664.7 Ų64.741%0.40536%0.357SS..THydrogen-bonded Turntrans-101.4-18.8-175.758.90000112.9N248 Q253N248-T251 WeakPolarHBondContact CB-OG1 3.44Å; N248-T251 PolarHBondContact ND2-OG1 2.89Å; N248-T251 PolarHBondContact O-N 3.47Å; T251-Q253 PolarHBondContact O-N 3.33Å; T251-Q253 PolarHBondContact OG1-N 3.01Å
252G88.7Confident91.3Very high67 Ų6767.2 Ų67.269%0.69137%0.369SS*.SBendtrans72.414-173.900000113.9N248N248-G252 VanDerWaalsContact O-CA 3.27Å; N248-G252 WeakPolarHBondContact O-CA 3.33Å; N248-G252 PolarHBondContact O-N 3.42Å
253Q90.1Very high91.4Very high138 Ų13863.2 Ų63.265%0.64535%0.351SS*.SBendtrans-115.1152.2-176.7-64-177.2-5.100111.2N248 T251 E255N248-Q253 VanDerWaalsContact CB-O 3.27Å; N248-Q253 WeakPolarHBondContact CB-O 3.38Å; N248-Q253 PolarHBondContact N-O 3.11Å; T251-Q253 PolarHBondContact O-N 3.33Å; T251-Q253 PolarHBondContact OG1-N 3.01Å; Q253-E255 PolarHBondContact O-N 3.38Å
254A92Very high91.5Very high76 Ų7663.1 Ų63.163%0.62835%0.349SS*.  trans-67.6127.9170.400000109.5D246D246-A254 VanDerWaalsContact O-CA 3.25Å; D246-A254 WeakPolarHBondContact O-CA 3.1Å; D246-A254 VanDerWaalsContact O-CB 3.27Å; D246-A254 WeakPolarHBondContact O-CB 2.99Å
255E91.8Very high91.5Very high27 Ų2762.6 Ų62.613%0.12634%0.342CS..  trans-147.9126.7-176.8-168.9-177.4168.900109.3Q245 N248 Q253 H268 P269 T270Q245-E255 WeakPolarHBondContact CA-O 3.45Å; Q245-E255 CarbonylContact O-C 3.57Å; Q245-E255 PolarHBondContact O-N 3.45Å; Q245-E255 VanDerWaalsContact O-O 3.05Å; N248-E255 HydrophobicContact CB-CB 4.33Å; N248-E255 PolarHBondContact ND2-OE2 3.48Å; Q253-E255 PolarHBondContact O-N 3.38Å; E255-H268 HydrophobicContact CG-CB 4.42Å; E255-H268 PolarHBondContact O-CD2 3.49Å; E255-H268 PolarHBondContact O-NE2 2.93Å; E255-P269 HydrophobicContact CG-CG 4.47Å; E255-P269 WeakPolarHBondContact OE1-CA 3.44Å; E255-P269 VanDerWaalsContact OE1-CB 3.27Å; E255-P269 WeakPolarHBondContact OE1-CB 3.18Å; E255-P269 WeakPolarHBondContact OE1-CD 3.36Å; E255-P269 WeakPolarHBondContact OE1-CG 3.5Å; E255-P269 VanDerWaalsContact OE1-N 3.16Å; E255-T270 WeakPolarHBondContact OE1-CG2 3.37Å; E255-T270 PolarHBondContact OE1-N 3.46Å; E255-T270 PolarHBondContact OE1-OG1 3.06Å; E255-T270 WeakPolarHBondContact OE2-CG2 3.23Å; E255-T270 PolarHBondContact OE2-OG1 3.04Å
256E92.1Very high91.5Very high95 Ų9558.1 Ų58.144%0.44432%0.321SS..PPolyproline II helixtrans-66.5135.1179.2175.1-178.2-137.100112P269 R283E256-P269 WeakPolarHBondContact O-CD 3.22Å; E256-R283 IonicContact OE2-CZ 3.36Å; E256-R283 IonicContact OE2-NE 2.82Å; E256-R283 PolarHBondContact OE2-NE 3.28Å; E256-R283 IonicContact OE2-NH2 2.98Å; E256-R283 PolarHBondContact OE2-NH2 3.44Å
257L93.4Very high91.6Very high24 Ų2452.3 Ų52.313%0.12629%0.29CS..PPolyproline II helixtrans-76.5136.4178.3-64.5173.6000111.6D236 C238 H268D236-L257 VanDerWaalsContact C-CD1 3.48Å; D236-L257 WeakPolarHBondContact O-CD1 3.47Å; C238-L257 HydrophobicContact CB-CD2 3.63Å; L257-H268 VanDerWaalsContact CD2-CD2 3.47Å; L257-H268 WeakPolarHBondContact CD2-CD2 3.48Å; L257-H268 WeakPolarHBondContact CD2-NE2 3.32Å
258V93.9Very high91.7Very high11 Ų1150.1 Ų50.17%0.06727%0.272CS..EExtended strand (participates in β ladder)trans-96.6129.2167.3-179.50000108.1S266 G267 P269 L272 V282 W287V258-S266 CarbonylContact O-C 3.53Å; V258-S266 VanDerWaalsContact O-CA 3.28Å; V258-S266 WeakPolarHBondContact O-CA 3.45Å; V258-G267 PolarHBondContact N-O 3.35Å; V258-G267 PolarHBondContact O-N 3.31Å; V258-P269 HydrophobicContact CG2-CG 3.89Å; V258-L272 HydrophobicContact CB-CD1 4.32Å; V258-V282 HydrophobicContact CG1-CB 4.29Å; V258-V282 HydrophobicContact CG1-CG2 3.94Å; V258-V282 HydrophobicContact CG2-CG2 3.89Å; V258-W287 HydrophobicContact CG1-CB 4.36Å; V258-W287 HydrophobicContact CG1-CD2 3.81Å; V258-W287 HydrophobicContact CG1-CE3 3.65Å; V258-W287 HydrophobicContact CG1-CG 4.13Å; V258-W287 HydrophobicContact CG1-CZ3 4.17Å
259S94.6Very high91.8Very high38 Ų3850.1 Ų50.127%0.26627%0.272SS..EExtended strand (participates in β ladder)trans-119136.4-169.8-49.20000111.6S261 R265 S266S259-S261 PolarHBondContact O-N 3.15Å; S259-R265 WeakPolarHBondContact CA-O 3.36Å; S259-S266 WeakPolarHBondContact CB-OG 3.28Å; S259-S266 PolarHBondContact OG-OG 3.44Å
260C94.5Very high92Very high4 Ų444.3 Ų44.33%0.02726%0.258CS..  trans-69.6126.6178.8178.70000111.1D262 C263 G264 R265 W287 C289C260-D262 PolarHBondContact O-N 3.41Å; C260-D262 VanDerWaalsContact O-N 3.15Å; C260-D262 PolarHBondContact SG-N 3.14Å; C260-D262 VanDerWaalsContact SG-N 3.41Å; C260-C263 VanDerWaalsContact CB-SG 3.59Å; C260-C263 PolarHBondContact SG-SG 3.06Å; C260-G264 WeakPolarHBondContact O-CA 3.34Å; C260-G264 PolarHBondContact O-N 3.03Å; C260-R265 WeakPolarHBondContact CB-O 3.29Å; C260-R265 PolarHBondContact N-O 3.36Å; C260-W287 WeakPolarHBondContact CA-O 3.22Å; C260-W287 HydrophobicContact CB-CE3 4.33Å; C260-W287 HydrophobicContact CB-CZ3 4Å; C260-C289 HydrophobicContact CB-CB 3.88Å; C260-C289 PolarHBondContact SG-N 3.25Å; C260-C289 VanDerWaalsContact SG-SG 3.62Å
261S93.9Very high92.2Very high33 Ų3338.7 Ų38.723%0.23123%0.234CC..THydrogen-bonded Turntrans-61.2-22.3177.863.40000114.3I232 S259 W287I232-S261 WeakPolarHBondContact CD1-O 3.34Å; S259-S261 PolarHBondContact O-N 3.15Å; S261-W287 PolarHBondContact N-O 3.3Å; S261-W287 PolarHBondContact OG-O 3.07Å
262D91.3Very high92.2Very high67 Ų6735.7 Ų35.736%0.35822%0.216SC..THydrogen-bonded Turntrans-105.4-33.6-168.6-71.28.6000113.4I232 C260 Q288 C292I232-D262 VanDerWaalsContact CD1-O 3.27Å; I232-D262 WeakPolarHBondContact CD1-O 3.43Å; C260-D262 PolarHBondContact O-N 3.41Å; C260-D262 VanDerWaalsContact O-N 3.15Å; C260-D262 PolarHBondContact SG-N 3.14Å; C260-D262 VanDerWaalsContact SG-N 3.41Å; D262-Q288 PolarHBondContact OD2-NE2 3.3Å; D262-C292 HydrophobicContact CB-CB 3.76Å
263C92.5Very high92.2Very high27 Ų2737.5 Ų37.518%0.18221%0.206CC..THydrogen-bonded Turntrans-121.8-10-177.3710000114.8C260 R265 C289C260-C263 VanDerWaalsContact CB-SG 3.59Å; C260-C263 PolarHBondContact SG-SG 3.06Å; C263-R265 PolarHBondContact O-N 3.15Å; C263-C289 PolarHBondContact SG-SG 2.8Å
264G92.9Very high92.2Very high0 Ų031.9 Ų31.90%018%0.179CC..  trans79-6.5179.400000114.6I232 P234 N235 C260 S266I232-G264 VanDerWaalsContact CG2-N 3.28Å; P234-G264 CarbonylContact C-O 3.56Å; N235-G264 PolarHBondContact N-O 3.01Å; C260-G264 WeakPolarHBondContact O-CA 3.34Å; C260-G264 PolarHBondContact O-N 3.03Å; G264-S266 PolarHBondContact O-N 3.08Å; G264-S266 PolarHBondContact O-OG 3.16Å
265R92.4Very high92Very high63 Ų6331.4 Ų31.424%0.23817%0.169CC..  trans-58.4133.8176-73.8-176.1179.3-173.3-5.8111.6H222 D239 S259 C260 C263H222-R265 PolarHBondContact CE1-NH2 2.78Å; H222-R265 VanDerWaalsContact CE1-NH2 3.28Å; H222-R265 PolarHBondContact ND1-NH2 3.27Å; H222-R265 VanDerWaalsContact ND1-NH2 3.12Å; D239-R265 VanDerWaalsContact OD2-CB 3.25Å; D239-R265 WeakPolarHBondContact OD2-CB 2.95Å; D239-R265 VanDerWaalsContact OD2-CD 3.31Å; D239-R265 WeakPolarHBondContact OD2-CD 3.31Å; D239-R265 VanDerWaalsContact OD2-CG 3.22Å; D239-R265 WeakPolarHBondContact OD2-CG 3.11Å; S259-R265 WeakPolarHBondContact CA-O 3.36Å; C260-R265 WeakPolarHBondContact CB-O 3.29Å; C260-R265 PolarHBondContact N-O 3.36Å; C263-R265 PolarHBondContact O-N 3.15Å
266S93.6Very high91.7Very high4 Ų436.7 Ų36.73%0.02819%0.194CC..EExtended strand (participates in β ladder)trans-121.9149.8-173.7-56.20000111.3N235 Y237 C238 D239 V258 S259 G264N235-S266 PolarHBondContact N-OG 2.85Å; N235-S266 VanDerWaalsContact O-CB 3.25Å; N235-S266 WeakPolarHBondContact O-CB 3.5Å; N235-S266 PolarHBondContact O-OG 3.15Å; Y237-S266 WeakPolarHBondContact O-CB 2.82Å; C238-S266 WeakPolarHBondContact CA-O 3.28Å; D239-S266 PolarHBondContact N-O 3.31Å; V258-S266 CarbonylContact O-C 3.53Å; V258-S266 VanDerWaalsContact O-CA 3.28Å; V258-S266 WeakPolarHBondContact O-CA 3.45Å; S259-S266 WeakPolarHBondContact CB-OG 3.28Å; S259-S266 PolarHBondContact OG-OG 3.44Å; G264-S266 PolarHBondContact O-N 3.08Å; G264-S266 PolarHBondContact O-OG 3.16Å
267G93.2Very high91.4Very high1 Ų135.1 Ų35.11%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-154.1148.2177.400000112V258V258-G267 PolarHBondContact N-O 3.35Å; V258-G267 PolarHBondContact O-N 3.31Å
268H93.2Very high91.2Very high0 Ų034 Ų340%018%0.182CC..  trans-66.4136.5170.1-61.8111.4000109.9C238 C241 D244 E255 L257 T270 C271 L272C238-H268 WeakPolarHBondContact CB-CE1 3.17Å; C238-H268 WeakPolarHBondContact CB-ND1 3.04Å; C238-H268 PolarHBondContact SG-N 2.78Å; C238-H268 VanDerWaalsContact SG-N 3.38Å; C238-H268 PolarHBondContact SG-ND1 3.34Å; C241-H268 PolarHBondContact SG-CE1 3.24Å; C241-H268 PolarHBondContact SG-ND1 2.87Å; D244-H268 PolarHBondContact O-CE1 2.66Å; D244-H268 PolarHBondContact O-NE2 2.75Å; E255-H268 HydrophobicContact CG-CB 4.42Å; E255-H268 PolarHBondContact O-CD2 3.49Å; E255-H268 PolarHBondContact O-NE2 2.93Å; L257-H268 VanDerWaalsContact CD2-CD2 3.47Å; L257-H268 WeakPolarHBondContact CD2-CD2 3.48Å; L257-H268 WeakPolarHBondContact CD2-NE2 3.32Å; H268-T270 PolarHBondContact O-N 3.23Å; H268-C271 HydrophobicContact CB-CB 3.9Å; H268-C271 CarbonylContact O-C 3.57Å; H268-C271 WeakPolarHBondContact O-CA 3.25Å; H268-C271 WeakPolarHBondContact O-CB 3.22Å; H268-C271 PolarHBondContact O-N 3.34Å; H268-L272 VanDerWaalsContact O-CG 3.28Å; H268-L272 WeakPolarHBondContact O-CG 3.28Å; H268-L272 PolarHBondContact O-N 3.48Å
269P92.3Very high90.9Very high1 Ų135.8 Ų35.81%0.00619%0.19CC..THydrogen-bonded Turntrans-48.2-42.6173-24.224.9000114.4E255 E256 V258 L272 Q273 F274 M279E255-P269 HydrophobicContact CG-CG 4.47Å; E255-P269 WeakPolarHBondContact OE1-CA 3.44Å; E255-P269 VanDerWaalsContact OE1-CB 3.27Å; E255-P269 WeakPolarHBondContact OE1-CB 3.18Å; E255-P269 WeakPolarHBondContact OE1-CD 3.36Å; E255-P269 WeakPolarHBondContact OE1-CG 3.5Å; E255-P269 VanDerWaalsContact OE1-N 3.16Å; E256-P269 WeakPolarHBondContact O-CD 3.22Å; V258-P269 HydrophobicContact CG2-CG 3.89Å; P269-L272 CarbonylContact O-C 3.46Å; P269-L272 WeakPolarHBondContact O-CB 3.37Å; P269-L272 PolarHBondContact O-N 2.96Å; P269-Q273 PolarHBondContact O-N 3.48Å; P269-F274 HydrophobicContact CB-CB 4.24Å; P269-F274 HydrophobicContact CB-CD2 4.29Å; P269-F274 WeakPolarHBondContact O-CB 3.49Å; P269-F274 PolarHBondContact O-N 3.33Å; P269-M279 HydrophobicContact CB-CG 3.65Å; P269-M279 HydrophobicContact CB-SD 3.46Å; P269-M279 WeakPolarHBondContact CB-SD 3.46Å; P269-M279 HydrophobicContact CG-CG 4.49Å; P269-M279 HydrophobicContact CG-SD 4.26Å
270T91.1Very high90.6Very high64 Ų6439.8 Ų39.839%0.39321%0.205SC..THydrogen-bonded Turntrans-68.3-36.1175.860.90000112.6N248 E255 H268 L272 Q273N248-T270 PolarHBondContact ND2-OG1 3.4Å; E255-T270 WeakPolarHBondContact OE1-CG2 3.37Å; E255-T270 PolarHBondContact OE1-N 3.46Å; E255-T270 PolarHBondContact OE1-OG1 3.06Å; E255-T270 WeakPolarHBondContact OE2-CG2 3.23Å; E255-T270 PolarHBondContact OE2-OG1 3.04Å; H268-T270 PolarHBondContact O-N 3.23Å; T270-L272 VanDerWaalsContact C-N 3.29Å; T270-L272 PolarHBondContact O-N 3.12Å; T270-Q273 PolarHBondContact O-N 3.4Å; T270-Q273 VanDerWaalsContact O-N 3.11Å
271C90.7Very high90.4Very high6 Ų640.5 Ų40.54%0.04121%0.211CC..THydrogen-bonded Turntrans-65.6-35.1174.3-74.70000111.9F240 H268 Q273F240-C271 HydrophobicContact CB-CB 3.79Å; F240-C271 HydrophobicContact CD2-CB 3.88Å; F240-C271 HydrophobicContact CG-CB 3.86Å; H268-C271 HydrophobicContact CB-CB 3.9Å; H268-C271 CarbonylContact O-C 3.57Å; H268-C271 WeakPolarHBondContact O-CA 3.25Å; H268-C271 WeakPolarHBondContact O-CB 3.22Å; H268-C271 PolarHBondContact O-N 3.34Å; C271-Q273 PolarHBondContact O-N 3.25Å
272L89.3Confident90.2Very high4 Ų439.1 Ų39.12%0.02120%0.201CC..THydrogen-bonded Turntrans-75.5-4.6174.2-64.6165.9000113Y191 F240 V258 H268 P269 T270 F274 W287Y191-L272 HydrophobicContact CD2-CD2 3.33Å; Y191-L272 HydrophobicContact CE2-CD2 3.23Å; F240-L272 HydrophobicContact CE2-CD2 3.36Å; F240-L272 HydrophobicContact CE2-CG 3.96Å; F240-L272 HydrophobicContact CZ-CD2 3.61Å; F240-L272 HydrophobicContact CZ-CG 4.35Å; V258-L272 HydrophobicContact CB-CD1 4.32Å; H268-L272 VanDerWaalsContact O-CG 3.28Å; H268-L272 WeakPolarHBondContact O-CG 3.28Å; H268-L272 PolarHBondContact O-N 3.48Å; P269-L272 CarbonylContact O-C 3.46Å; P269-L272 WeakPolarHBondContact O-CB 3.37Å; P269-L272 PolarHBondContact O-N 2.96Å; T270-L272 VanDerWaalsContact C-N 3.29Å; T270-L272 PolarHBondContact O-N 3.12Å; L272-F274 VanDerWaalsContact C-N 3.32Å; L272-F274 HydrophobicContact CB-CD1 3.56Å; L272-F274 HydrophobicContact CB-CD2 4.24Å; L272-F274 HydrophobicContact CB-CE1 3.62Å; L272-F274 HydrophobicContact CB-CE2 4.24Å; L272-F274 HydrophobicContact CB-CG 3.93Å; L272-F274 HydrophobicContact CB-CZ 3.97Å; L272-F274 HydrophobicContact CD1-CD2 4.14Å; L272-F274 HydrophobicContact CD1-CE1 4.35Å; L272-F274 HydrophobicContact CD1-CE2 3.65Å; L272-F274 HydrophobicContact CD1-CZ 3.8Å; L272-F274 HydrophobicContact CG-CE1 4.44Å; L272-F274 HydrophobicContact CG-CZ 4.35Å; L272-F274 WeakPolarHBondContact O-CD1 3.32Å; L272-F274 PolarHBondContact O-N 2.92Å; L272-W287 HydrophobicContact CD1-CH2 4.43Å; L272-W287 HydrophobicContact CD2-CH2 4.39Å
273Q87.9Confident90Very high104 Ų10441.5 Ų41.549%0.48621%0.205SC..THydrogen-bonded Turntrans57.741-173-57-177.9-2.200113.3S190 P269 T270 C271S190-Q273 PolarHBondContact OG-NE2 3.22Å; S190-Q273 PolarHBondContact OG-OE1 3.49Å; P269-Q273 PolarHBondContact O-N 3.48Å; T270-Q273 PolarHBondContact O-N 3.4Å; T270-Q273 VanDerWaalsContact O-N 3.11Å; C271-Q273 PolarHBondContact O-N 3.25Å
274F89.8Confident89.9Confident21 Ų2144.8 Ų44.89%0.09223%0.225CC..  trans-76.8137.9179.7-72.7-1.7000113.1P269 L272 M278 M279 V282 W287P269-F274 HydrophobicContact CB-CB 4.24Å; P269-F274 HydrophobicContact CB-CD2 4.29Å; P269-F274 WeakPolarHBondContact O-CB 3.49Å; P269-F274 PolarHBondContact O-N 3.33Å; L272-F274 VanDerWaalsContact C-N 3.32Å; L272-F274 HydrophobicContact CB-CD1 3.56Å; L272-F274 HydrophobicContact CB-CD2 4.24Å; L272-F274 HydrophobicContact CB-CE1 3.62Å; L272-F274 HydrophobicContact CB-CE2 4.24Å; L272-F274 HydrophobicContact CB-CG 3.93Å; L272-F274 HydrophobicContact CB-CZ 3.97Å; L272-F274 HydrophobicContact CD1-CD2 4.14Å; L272-F274 HydrophobicContact CD1-CE1 4.35Å; L272-F274 HydrophobicContact CD1-CE2 3.65Å; L272-F274 HydrophobicContact CD1-CZ 3.8Å; L272-F274 HydrophobicContact CG-CE1 4.44Å; L272-F274 HydrophobicContact CG-CZ 4.35Å; L272-F274 WeakPolarHBondContact O-CD1 3.32Å; L272-F274 PolarHBondContact O-N 2.92Å; F274-M278 VanDerWaalsContact CA-CE 3.42Å; F274-M278 HydrophobicContact CB-CB 4.39Å; F274-M278 HydrophobicContact CB-CE 3.69Å; F274-M278 HydrophobicContact CB-CG 4.38Å; F274-M278 HydrophobicContact CD1-CE 3.12Å; F274-M278 HydrophobicContact CD1-CG 4.23Å; F274-M278 HydrophobicContact CD1-SD 3.82Å; F274-M278 HydrophobicContact CD2-CE 4.5Å; F274-M278 HydrophobicContact CD2-CG 4.12Å; F274-M278 HydrophobicContact CE1-CE 3.76Å; F274-M278 HydrophobicContact CE1-CG 4.47Å; F274-M278 HydrophobicContact CE1-SD 3.89Å; F274-M278 HydrophobicContact CE2-CG 4.41Å; F274-M278 HydrophobicContact CG-CE 3.54Å; F274-M278 HydrophobicContact CG-CG 4.01Å; F274-M278 HydrophobicContact CG-SD 4.21Å; F274-M278 HydrophobicContact CZ-SD 4.4Å; F274-M279 HydrophobicContact CB-CG 3.85Å; F274-V282 HydrophobicContact CD2-CG1 4.44Å; F274-V282 HydrophobicContact CD2-CG2 4.21Å; F274-V282 HydrophobicContact CE2-CB 4.39Å; F274-V282 HydrophobicContact CE2-CG1 3.85Å; F274-V282 HydrophobicContact CE2-CG2 4Å; F274-V282 HydrophobicContact CZ-CG1 4.39Å; F274-W287 AromaticContact CZ-CE2 3.95Å; F274-W287 AromaticContact CZ-CZ2 3.91Å; F274-W287 HydrophobicContact CZ-CZ2 3.91Å; F274-W287 AromaticContact CZ-NE1 3.72Å
275T87.6Confident89.7Confident66 Ų6647.1 Ų47.141%0.40523%0.234SC..  trans-73.3158.6167.762.50000109.8N277 M278 M279 D311T275-N277 VanDerWaalsContact C-N 3.3Å; T275-N277 PolarHBondContact O-N 3.15Å; T275-M278 WeakPolarHBondContact O-CB 3.38Å; T275-M278 PolarHBondContact O-N 2.95Å; T275-M278 WeakPolarHBondContact OG1-CB 3.39Å; T275-M278 PolarHBondContact OG1-N 3.04Å; T275-M279 VanDerWaalsContact O-CG 3.29Å; T275-M279 WeakPolarHBondContact O-CG 3.19Å; T275-M279 PolarHBondContact O-N 3.41Å; T275-D311 PolarHBondContact OG1-O 3.21Å
276E86.4Confident89.7Confident138 Ų13850 Ų5065%0.64525%0.25SC*.Hα-helixtrans-58.3-40.1-178.8-169.6169.8-168.600113.3M278 M279 Q280E276-M278 VanDerWaalsContact C-N 3.34Å; E276-M278 PolarHBondContact O-N 3.5Å; E276-M279 HydrophobicContact CB-CE 4.11Å; E276-M279 HydrophobicContact CG-CE 4.28Å; E276-M279 WeakPolarHBondContact O-CB 3.47Å; E276-M279 PolarHBondContact O-N 2.79Å; E276-Q280 PolarHBondContact O-N 2.99Å
277N85.3Confident89.8Confident61 Ų6150.1 Ų50.133%0.32625%0.25SC..Hα-helixtrans-58.7-46.8173.3-68.8-15.3000111.4T275 M279 Q280 A281 D312T275-N277 VanDerWaalsContact C-N 3.3Å; T275-N277 PolarHBondContact O-N 3.15Å; N277-M279 PolarHBondContact O-N 2.9Å; N277-Q280 PolarHBondContact O-N 3.24Å; N277-A281 WeakPolarHBondContact O-CB 3.47Å; N277-A281 PolarHBondContact O-N 3.07Å; N277-D312 CarbonylContact C-O 3.46Å; N277-D312 PolarHBondContact ND2-OD1 2.95Å
278M89.3Confident89.8Confident0 Ų051.6 Ų51.60%026%0.256CS..Hα-helixtrans-65.9-39.5-180-173.2160.550.400111.3P187 F274 T275 E276 Q280 A281 V282 D312 D314P187-M278 HydrophobicContact CB-CE 4.14Å; P187-M278 HydrophobicContact CG-CE 4.21Å; F274-M278 VanDerWaalsContact CA-CE 3.42Å; F274-M278 HydrophobicContact CB-CB 4.39Å; F274-M278 HydrophobicContact CB-CE 3.69Å; F274-M278 HydrophobicContact CB-CG 4.38Å; F274-M278 HydrophobicContact CD1-CE 3.12Å; F274-M278 HydrophobicContact CD1-CG 4.23Å; F274-M278 HydrophobicContact CD1-SD 3.82Å; F274-M278 HydrophobicContact CD2-CE 4.5Å; F274-M278 HydrophobicContact CD2-CG 4.12Å; F274-M278 HydrophobicContact CE1-CE 3.76Å; F274-M278 HydrophobicContact CE1-CG 4.47Å; F274-M278 HydrophobicContact CE1-SD 3.89Å; F274-M278 HydrophobicContact CE2-CG 4.41Å; F274-M278 HydrophobicContact CG-CE 3.54Å; F274-M278 HydrophobicContact CG-CG 4.01Å; F274-M278 HydrophobicContact CG-SD 4.21Å; F274-M278 HydrophobicContact CZ-SD 4.4Å; T275-M278 WeakPolarHBondContact O-CB 3.38Å; T275-M278 PolarHBondContact O-N 2.95Å; T275-M278 WeakPolarHBondContact OG1-CB 3.39Å; T275-M278 PolarHBondContact OG1-N 3.04Å; E276-M278 VanDerWaalsContact C-N 3.34Å; E276-M278 PolarHBondContact O-N 3.5Å; M278-Q280 VanDerWaalsContact C-N 3.27Å; M278-Q280 PolarHBondContact O-N 3.47Å; M278-A281 PolarHBondContact O-N 3.06Å; M278-A281 VanDerWaalsContact O-N 3.16Å; M278-V282 HydrophobicContact CG-CG1 3.88Å; M278-V282 WeakPolarHBondContact O-CG1 3.27Å; M278-V282 VanDerWaalsContact O-CG2 3.31Å; M278-V282 WeakPolarHBondContact O-CG2 3.3Å; M278-V282 PolarHBondContact O-N 2.73Å; M278-D312 WeakPolarHBondContact CA-O 3.33Å; M278-D312 PolarHBondContact N-O 3.24Å; M278-D314 HydrophobicContact CG-CB 4.12Å; M278-D314 HydrophobicContact SD-CB 3.52Å; M278-D314 VanDerWaalsContact SD-CB 3.52Å
279M87.8Confident89.8Confident49 Ų4951.6 Ų51.624%0.24126%0.256CS..Hα-helixtrans-57-39.9175.3-64.5-160.7-86.100112.7P269 F274 T275 E276 N277 R283P269-M279 HydrophobicContact CB-CG 3.65Å; P269-M279 HydrophobicContact CB-SD 3.46Å; P269-M279 WeakPolarHBondContact CB-SD 3.46Å; P269-M279 HydrophobicContact CG-CG 4.49Å; P269-M279 HydrophobicContact CG-SD 4.26Å; F274-M279 HydrophobicContact CB-CG 3.85Å; T275-M279 VanDerWaalsContact O-CG 3.29Å; T275-M279 WeakPolarHBondContact O-CG 3.19Å; T275-M279 PolarHBondContact O-N 3.41Å; E276-M279 HydrophobicContact CB-CE 4.11Å; E276-M279 HydrophobicContact CG-CE 4.28Å; E276-M279 WeakPolarHBondContact O-CB 3.47Å; E276-M279 PolarHBondContact O-N 2.79Å; N277-M279 PolarHBondContact O-N 2.9Å; M279-R283 PolarHBondContact O-NH1 3.26Å
280Q87.4Confident89.7Confident123 Ų12352 Ų5258%0.57526%0.258SS*.Hα-helixtrans-72.7-45.3176.3-65.9178.715.100110.5E276 N277 M278 R283 T284E276-Q280 PolarHBondContact O-N 2.99Å; N277-Q280 PolarHBondContact O-N 3.24Å; M278-Q280 VanDerWaalsContact C-N 3.27Å; M278-Q280 PolarHBondContact O-N 3.47Å; Q280-R283 PolarHBondContact O-N 2.91Å; Q280-T284 WeakPolarHBondContact O-CG2 3.31Å
281A90.3Very high89.6Confident19 Ų1952.5 Ų52.516%0.15726%0.256CS..Hα-helixtrans-65-44-176.100000113.4N277 M278 R283 T284 Y285 C313N277-A281 WeakPolarHBondContact O-CB 3.47Å; N277-A281 PolarHBondContact O-N 3.07Å; M278-A281 PolarHBondContact O-N 3.06Å; M278-A281 VanDerWaalsContact O-N 3.16Å; A281-R283 PolarHBondContact O-N 3.5Å; A281-R283 VanDerWaalsContact O-N 3.15Å; A281-T284 PolarHBondContact O-N 2.94Å; A281-T284 PolarHBondContact O-OG1 3.43Å; A281-Y285 WeakPolarHBondContact O-CD1 3.15Å; A281-Y285 VanDerWaalsContact O-CE1 3.3Å; A281-Y285 WeakPolarHBondContact O-CE1 3.38Å; A281-C313 HydrophobicContact CB-CB 3.59Å
282V90.3Very high89.7Confident4 Ų453.7 Ų53.72%0.02426%0.264CS..G310 helixtrans-65.3-19.6-177.1-62.10000113.5V258 F274 M278 W287 D314V258-V282 HydrophobicContact CG1-CB 4.29Å; V258-V282 HydrophobicContact CG1-CG2 3.94Å; V258-V282 HydrophobicContact CG2-CG2 3.89Å; F274-V282 HydrophobicContact CD2-CG1 4.44Å; F274-V282 HydrophobicContact CD2-CG2 4.21Å; F274-V282 HydrophobicContact CE2-CB 4.39Å; F274-V282 HydrophobicContact CE2-CG1 3.85Å; F274-V282 HydrophobicContact CE2-CG2 4Å; F274-V282 HydrophobicContact CZ-CG1 4.39Å; M278-V282 HydrophobicContact CG-CG1 3.88Å; M278-V282 WeakPolarHBondContact O-CG1 3.27Å; M278-V282 VanDerWaalsContact O-CG2 3.31Å; M278-V282 WeakPolarHBondContact O-CG2 3.3Å; M278-V282 PolarHBondContact O-N 2.73Å; V282-W287 HydrophobicContact CB-CB 4.14Å; V282-W287 HydrophobicContact CB-CG 4.1Å; V282-W287 VanDerWaalsContact CG1-CD1 3.44Å; V282-W287 HydrophobicContact CG1-CG 4.16Å; V282-D314 HydrophobicContact CG1-CB 4.19Å
283R87.8Confident89.9Confident117 Ų11753.9 Ų53.944%0.44227%0.265SS..G310 helixtrans-79.5-18173.4-68.6-178.9171.290-4.6113.1E256 M279 Q280 A281E256-R283 IonicContact OE2-CZ 3.36Å; E256-R283 IonicContact OE2-NE 2.82Å; E256-R283 PolarHBondContact OE2-NE 3.28Å; E256-R283 IonicContact OE2-NH2 2.98Å; E256-R283 PolarHBondContact OE2-NH2 3.44Å; M279-R283 PolarHBondContact O-NH1 3.26Å; Q280-R283 PolarHBondContact O-N 2.91Å; A281-R283 PolarHBondContact O-N 3.5Å; A281-R283 VanDerWaalsContact O-N 3.15Å
284T89.2Confident90.2Very high96 Ų9650.3 Ų50.359%0.58925%0.251SS*.G310 helixtrans-89.7-2.1-176.579.50000113.5Q280 A281Q280-T284 WeakPolarHBondContact O-CG2 3.31Å; A281-T284 PolarHBondContact O-N 2.94Å; A281-T284 PolarHBondContact O-OG1 3.43Å
285Y89.9Confident90.5Very high49 Ų4949.3 Ų49.319%0.19225%0.247CC..THydrogen-bonded Turntrans-152.6172.2-179.573.7-84.3000111.3A281 W287 C313 R315A281-Y285 WeakPolarHBondContact O-CD1 3.15Å; A281-Y285 VanDerWaalsContact O-CE1 3.3Å; A281-Y285 WeakPolarHBondContact O-CE1 3.38Å; Y285-W287 VanDerWaalsContact C-N 3.32Å; Y285-W287 HydrophobicContact CE2-CB 4.29Å; Y285-W287 PolarHBondContact O-N 3.15Å; Y285-C313 PolarHBondContact OH-O 2.97Å; Y285-R315 VanDerWaalsContact CD1-CZ 3.47Å; Y285-R315 HydrophobicContact CE1-CG 4.34Å; Y285-R315 HydrophobicContact CE2-CG 3.98Å; Y285-R315 VanDerWaalsContact CG-NH2 3.3Å
286Q92.1Very high90.8Very high122 Ų12249.2 Ų49.257%0.5725%0.249SC*.THydrogen-bonded Turntrans-7185.9176.5-70.5162.357.700110.4
287W94.8Very high91.2Very high8 Ų846.7 Ų46.73%0.0324%0.239CC..  trans-66.4139.6177.3175.986.2000111.3V258 C260 S261 L272 F274 V282 Y285 C289 D314V258-W287 HydrophobicContact CG1-CB 4.36Å; V258-W287 HydrophobicContact CG1-CD2 3.81Å; V258-W287 HydrophobicContact CG1-CE3 3.65Å; V258-W287 HydrophobicContact CG1-CG 4.13Å; V258-W287 HydrophobicContact CG1-CZ3 4.17Å; C260-W287 WeakPolarHBondContact CA-O 3.22Å; C260-W287 HydrophobicContact CB-CE3 4.33Å; C260-W287 HydrophobicContact CB-CZ3 4Å; S261-W287 PolarHBondContact N-O 3.3Å; S261-W287 PolarHBondContact OG-O 3.07Å; L272-W287 HydrophobicContact CD1-CH2 4.43Å; L272-W287 HydrophobicContact CD2-CH2 4.39Å; F274-W287 AromaticContact CZ-CE2 3.95Å; F274-W287 AromaticContact CZ-CZ2 3.91Å; F274-W287 HydrophobicContact CZ-CZ2 3.91Å; F274-W287 AromaticContact CZ-NE1 3.72Å; V282-W287 HydrophobicContact CB-CB 4.14Å; V282-W287 HydrophobicContact CB-CG 4.1Å; V282-W287 VanDerWaalsContact CG1-CD1 3.44Å; V282-W287 HydrophobicContact CG1-CG 4.16Å; Y285-W287 VanDerWaalsContact C-N 3.32Å; Y285-W287 HydrophobicContact CE2-CB 4.29Å; Y285-W287 PolarHBondContact O-N 3.15Å; W287-C289 HydrophobicContact CH2-CB 3.78Å; W287-C289 HydrophobicContact CZ2-CB 4.4Å; W287-C289 HydrophobicContact CZ3-CB 4.13Å; W287-D314 PolarHBondContact NE1-OD2 3.28Å
288Q94.4Very high91.7Very high32 Ų3246.5 Ų46.515%0.1524%0.242CC..  trans-114.2138176.7-65.9174.4-40.500109D262 C292 K293 S294D262-Q288 PolarHBondContact OD2-NE2 3.3Å; Q288-C292 HydrophobicContact CB-CB 4.29Å; Q288-C292 PolarHBondContact OE1-O 3.04Å; Q288-K293 HydrophobicContact CB-CD 4.36Å; Q288-K293 WeakPolarHBondContact O-CE 3.25Å; Q288-K293 PolarHBondContact O-NZ 3.45Å; Q288-S294 PolarHBondContact NE2-OG 3.33Å; Q288-S294 PolarHBondContact OE1-OG 3.23Å
289C92.6Very high91.9Very high0 Ų048.4 Ų48.40%026%0.261CS..  trans-67.1173.1170.172.40000111.4C260 C263 W287 E291 C292 K293C260-C289 HydrophobicContact CB-CB 3.88Å; C260-C289 PolarHBondContact SG-N 3.25Å; C260-C289 VanDerWaalsContact SG-SG 3.62Å; C263-C289 PolarHBondContact SG-SG 2.8Å; W287-C289 HydrophobicContact CH2-CB 3.78Å; W287-C289 HydrophobicContact CZ2-CB 4.4Å; W287-C289 HydrophobicContact CZ3-CB 4.13Å; C289-E291 VanDerWaalsContact C-N 3.3Å; C289-E291 PolarHBondContact O-N 3.01Å; C289-C292 CarbonylContact O-C 3.53Å; C289-C292 PolarHBondContact O-N 3.28Å; C289-C292 VanDerWaalsContact O-N 3.12Å; C289-K293 PolarHBondContact O-N 2.96Å
290I89.9Confident92.1Very high9 Ų947.2 Ų47.25%0.04626%0.257CS..G310 helixtrans-58.9-39.2-173.2-150.6170.1000114.2Y183 G188 Y191 H192 C292 K293 F309Y183-I290 HydrophobicContact CD1-CD1 3.69Å; Y183-I290 HydrophobicContact CD1-CG1 3.78Å; Y183-I290 HydrophobicContact CD2-CD1 3.44Å; Y183-I290 VanDerWaalsContact CD2-CD1 3.44Å; Y183-I290 HydrophobicContact CD2-CG1 4.31Å; Y183-I290 HydrophobicContact CE1-CD1 3.61Å; Y183-I290 HydrophobicContact CE1-CG1 3.35Å; Y183-I290 HydrophobicContact CE2-CD1 3.37Å; Y183-I290 HydrophobicContact CE2-CG1 3.95Å; Y183-I290 HydrophobicContact CG-CD1 3.57Å; Y183-I290 HydrophobicContact CG-CG1 4.21Å; Y183-I290 VanDerWaalsContact CZ-CD1 3.41Å; Y183-I290 VanDerWaalsContact CZ-CG1 3.42Å; G188-I290 WeakPolarHBondContact O-CD1 3.31Å; Y191-I290 HydrophobicContact CD1-CB 3.41Å; Y191-I290 VanDerWaalsContact CD1-CB 3.41Å; Y191-I290 HydrophobicContact CD1-CD1 3.9Å; Y191-I290 HydrophobicContact CD1-CG1 4.26Å; Y191-I290 HydrophobicContact CD1-CG2 3.27Å; Y191-I290 HydrophobicContact CE1-CB 3.6Å; Y191-I290 HydrophobicContact CE1-CG2 3.21Å; Y191-I290 HydrophobicContact CG-CB 4.27Å; Y191-I290 HydrophobicContact CG-CD1 4.44Å; Y191-I290 HydrophobicContact CG-CG2 4.5Å; H192-I290 HydrophobicContact CB-CD1 3.84Å; I290-C292 VanDerWaalsContact C-N 3.29Å; I290-C292 PolarHBondContact O-N 3.12Å; I290-K293 PolarHBondContact O-N 3.25Å; I290-F309 HydrophobicContact CD1-CE2 3.93Å; I290-F309 HydrophobicContact CD1-CZ 4.32Å; I290-F309 HydrophobicContact CG1-CE2 3.61Å; I290-F309 HydrophobicContact CG1-CZ 3.65Å
291E89.1Confident92.3Very high75 Ų7544.5 Ų44.535%0.3525%0.252SS..G310 helixtrans-76.1-23.2-176.4-62.4-59.6141.900111.4K181 C289K181-E291 IonicContact NZ-OE1 3.11Å; K181-E291 IonicContact NZ-OE2 3.23Å; K181-E291 PolarHBondContact NZ-OE2 3.48Å; C289-E291 VanDerWaalsContact C-N 3.3Å; C289-E291 PolarHBondContact O-N 3.01Å
292C92.7Very high92.3Very high30 Ų3049.1 Ų49.120%0.20327%0.27CS..G310 helixtrans-99.3-2.6178-610000112.6D262 Q288 C289 I290 S294D262-C292 HydrophobicContact CB-CB 3.76Å; Q288-C292 HydrophobicContact CB-CB 4.29Å; Q288-C292 PolarHBondContact OE1-O 3.04Å; C289-C292 CarbonylContact O-C 3.53Å; C289-C292 PolarHBondContact O-N 3.28Å; C289-C292 VanDerWaalsContact O-N 3.12Å; I290-C292 VanDerWaalsContact C-N 3.29Å; I290-C292 PolarHBondContact O-N 3.12Å; C292-S294 PolarHBondContact O-N 3.46Å
293K93.6Very high92.2Very high9 Ų952.9 Ų52.94%0.03929%0.29CS..  trans-61.7127.7-171.4-163.376.765.5175.40110.4Q288 C289 I290 S301 L307 F309 D314Q288-K293 HydrophobicContact CB-CD 4.36Å; Q288-K293 WeakPolarHBondContact O-CE 3.25Å; Q288-K293 PolarHBondContact O-NZ 3.45Å; C289-K293 PolarHBondContact O-N 2.96Å; I290-K293 PolarHBondContact O-N 3.25Å; K293-S301 VanDerWaalsContact O-CB 3.3Å; K293-S301 WeakPolarHBondContact O-CB 3.48Å; K293-L307 HydrophobicContact CB-CD2 4.2Å; K293-L307 HydrophobicContact CG-CD2 4.1Å; K293-F309 HydrophobicContact CB-CE1 4.04Å; K293-F309 HydrophobicContact CB-CZ 4.25Å; K293-F309 HydrophobicContact CD-CD1 4.47Å; K293-F309 HydrophobicContact CD-CE1 4.5Å; K293-F309 HydrophobicContact CG-CD1 3.91Å; K293-F309 HydrophobicContact CG-CE1 3.6Å; K293-F309 HydrophobicContact CG-CZ 4.18Å; K293-D314 WeakPolarHBondContact CE-O 3.26Å; K293-D314 VanDerWaalsContact NZ-CG 3.28Å; K293-D314 PolarHBondContact NZ-O 2.91Å; K293-D314 IonicContact NZ-OD1 3.53Å; K293-D314 IonicContact NZ-OD2 2.92Å; K293-D314 PolarHBondContact NZ-OD2 3.48Å
294S94.4Very high92.2Very high28 Ų2850.1 Ų50.120%0.19628%0.284CS..  trans-117.1152.4174.762.90000111.2Q288 C292 S296Q288-S294 PolarHBondContact NE2-OG 3.33Å; Q288-S294 PolarHBondContact OE1-OG 3.23Å; C292-S294 PolarHBondContact O-N 3.46Å; S294-S296 PolarHBondContact O-N 2.64Å
295C95.4Very high92.1Very high1 Ų149 Ų491%0.00727%0.274CS..BIsolated β-bridgetrans-68.9127.9175.4172.50000110.3L297 C298 G299 T300 L307 G316 H318C295-L297 PolarHBondContact O-N 3.5Å; C295-L297 VanDerWaalsContact O-N 3.15Å; C295-L297 PolarHBondContact SG-N 3.08Å; C295-C298 WeakPolarHBondContact CB-SG 3.44Å; C295-G299 WeakPolarHBondContact O-CA 3.42Å; C295-G299 PolarHBondContact O-N 2.77Å; C295-T300 PolarHBondContact N-O 3.43Å; C295-L307 HydrophobicContact CB-CD1 3.79Å; C295-G316 CarbonylContact C-O 3.32Å; C295-G316 WeakPolarHBondContact CA-O 3.36Å; C295-H318 VanDerWaalsContact CB-CE1 3.47Å; C295-H318 WeakPolarHBondContact CB-CE1 3.37Å; C295-H318 WeakPolarHBondContact CB-ND1 3.36Å; C295-H318 PolarHBondContact SG-N 3.31Å; C295-H318 PolarHBondContact SG-ND1 3.4Å
296S94.6Very high92Very high63 Ų6349.9 Ų49.944%0.44128%0.28SS..THydrogen-bonded Turntrans-68.1-15.3-177.4-49.10000112.9S294 G316S294-S296 PolarHBondContact O-N 2.64Å; S296-G316 PolarHBondContact N-O 3.25Å; S296-G316 PolarHBondContact OG-O 3.37Å
297L94.6Very high92Very high86 Ų8644.2 Ų44.245%0.4525%0.254SS..THydrogen-bonded Turntrans-95-44.4-179.1-61.1176.2000112.9C295 Y317 C321 L322C295-L297 PolarHBondContact O-N 3.5Å; C295-L297 VanDerWaalsContact O-N 3.15Å; C295-L297 PolarHBondContact SG-N 3.08Å; L297-Y317 HydrophobicContact CD1-CD1 3.87Å; L297-Y317 HydrophobicContact CD1-CE1 4.39Å; L297-Y317 HydrophobicContact CD2-CE1 4.25Å; L297-Y317 HydrophobicContact CG-CD1 3.77Å; L297-Y317 HydrophobicContact CG-CE1 3.97Å; L297-C321 HydrophobicContact CB-CB 4.01Å; L297-C321 HydrophobicContact CD1-CB 3.78Å; L297-C321 VanDerWaalsContact CD1-O 3.23Å; L297-C321 WeakPolarHBondContact CD1-O 3.09Å; L297-L322 HydrophobicContact CD1-CD2 4.36Å
298C95.5Very high91.9Very high57 Ų5744.1 Ų44.139%0.38525%0.254SS..THydrogen-bonded Turntrans-105.8-12.6-177710000113.8C295 T300 H318C295-C298 WeakPolarHBondContact CB-SG 3.44Å; C298-T300 PolarHBondContact O-N 3.4Å; C298-T300 PolarHBondContact SG-OG1 2.75Å; C298-H318 PolarHBondContact SG-ND1 3.14Å
299G93.4Very high91.9Very high39 Ų3942.8 Ų42.840%0.40225%0.247SC..  trans69.612.3-179.900000114.8C295C295-G299 WeakPolarHBondContact O-CA 3.42Å; C295-G299 PolarHBondContact O-N 2.77Å
300T92.8Very high91.9Very high24 Ų2442.8 Ų42.815%0.14725%0.248CC..  trans-101.7151.7176.774.80000111.1C295 C298 H318C295-T300 PolarHBondContact N-O 3.43Å; C298-T300 PolarHBondContact O-N 3.4Å; C298-T300 PolarHBondContact SG-OG1 2.75Å; T300-H318 PolarHBondContact OG1-CE1 3.03Å
301S91.6Very high91.9Very high66 Ų6643 Ų4346%0.46225%0.249SC..  trans-105.915.3170.562.40000111.5K293K293-S301 VanDerWaalsContact O-CB 3.3Å; K293-S301 WeakPolarHBondContact O-CB 3.48Å
302E89.3Confident92Very high117 Ų11739.7 Ų39.755%0.54723%0.234SC..  trans-78.1157.1177.1-64.5173.6-170.800109.7D304 H318E302-D304 PolarHBondContact O-N 3.22Å; E302-H318 PolarHBondContact O-CE1 2.93Å; E302-H318 VanDerWaalsContact O-CE1 3.25Å; E302-H318 PolarHBondContact O-NE2 3.14Å
303N88.7Confident92Very high82 Ų8238.3 Ų38.344%0.43922%0.224SC..  trans52.854.3-178.1-48.8-51.7000112D305 Q306 H318 Y320N303-D305 VanDerWaalsContact CA-OD1 3.25Å; N303-D305 WeakPolarHBondContact CA-OD1 3.38Å; N303-D305 PolarHBondContact O-N 3.16Å; N303-Q306 PolarHBondContact O-N 3.37Å; N303-Q306 VanDerWaalsContact O-N 3.08Å; N303-H318 PolarHBondContact O-CD2 3.25Å; N303-H318 PolarHBondContact O-NE2 3.03Å; N303-Y320 HydrophobicContact CB-CE1 4.21Å; N303-Y320 PolarHBondContact ND2-OH 2.86Å
304D87.7Confident92Very high59 Ų5938.3 Ų38.332%0.31623%0.225SC..G310 helixtrans-63.1-28.5179.358.4-12.7000112.4E302 Q306 L307E302-D304 PolarHBondContact O-N 3.22Å; D304-Q306 PolarHBondContact O-N 3.28Å; D304-Q306 VanDerWaalsContact O-N 3.14Å; D304-L307 WeakPolarHBondContact O-CB 3.49Å; D304-L307 PolarHBondContact O-N 3.09Å
305D86.3Confident92Very high72 Ų7239 Ų3939%0.38522%0.223SC..G310 helixtrans-55.6-23.8169.170.4-52.6000114K184 N303K184-D305 WeakPolarHBondContact CE-O 3.35Å; K184-D305 PolarHBondContact NZ-O 3.39Å; N303-D305 VanDerWaalsContact CA-OD1 3.25Å; N303-D305 WeakPolarHBondContact CA-OD1 3.38Å; N303-D305 PolarHBondContact O-N 3.16Å
306Q89.2Confident91.9Very high68 Ų6839 Ų3932%0.31822%0.223SC..G310 helixtrans-111.210.2178.8-73.4171.47100113.4N303 D304 H318 M319 Y320N303-Q306 PolarHBondContact O-N 3.37Å; N303-Q306 VanDerWaalsContact O-N 3.08Å; D304-Q306 PolarHBondContact O-N 3.28Å; D304-Q306 VanDerWaalsContact O-N 3.14Å; Q306-H318 WeakPolarHBondContact O-CA 3.5Å; Q306-M319 WeakPolarHBondContact O-CG 2.96Å; Q306-M319 PolarHBondContact O-N 3.01Å; Q306-Y320 HydrophobicContact CB-CD1 4.33Å; Q306-Y320 HydrophobicContact CB-CE1 4.21Å
307L92.1Very high92Very high4 Ų436 Ų362%0.02120%0.202CC..EExtended strand (participates in β ladder)trans-91.7112179.5-167.966.1000110.2K293 C295 D304 F309K293-L307 HydrophobicContact CB-CD2 4.2Å; K293-L307 HydrophobicContact CG-CD2 4.1Å; C295-L307 HydrophobicContact CB-CD1 3.79Å; D304-L307 WeakPolarHBondContact O-CB 3.49Å; D304-L307 PolarHBondContact O-N 3.09Å; L307-F309 HydrophobicContact CD2-CE1 3.89Å; L307-F309 HydrophobicContact CG-CD1 4.34Å; L307-F309 HydrophobicContact CG-CE1 3.95Å
308L92.3Very high92Very high5 Ų532 Ų323%0.02618%0.181CC..EExtended strand (participates in β ladder)trans-82.7144.8169.1-59.8-179.2000109.5K184 G316 Y317 M319 L322 M326 P329 P330 W334K184-L308 HydrophobicContact CB-CD2 3.5Å; K184-L308 VanDerWaalsContact CB-CD2 3.5Å; K184-L308 HydrophobicContact CD-CD2 3.56Å; K184-L308 HydrophobicContact CG-CD2 4.11Å; L308-G316 CarbonylContact O-C 3.55Å; L308-G316 VanDerWaalsContact O-CA 3.28Å; L308-G316 WeakPolarHBondContact O-CA 3.04Å; L308-Y317 PolarHBondContact N-O 3.16Å; L308-Y317 PolarHBondContact O-N 3.47Å; L308-M319 HydrophobicContact CD1-CG 3.79Å; L308-M319 HydrophobicContact CD2-CG 4.05Å; L308-M319 HydrophobicContact CD2-SD 4.19Å; L308-M319 HydrophobicContact CG-CG 3.64Å; L308-M319 HydrophobicContact CG-SD 4.43Å; L308-L322 HydrophobicContact CD1-CD1 4.18Å; L308-M326 HydrophobicContact CD1-SD 4.16Å; L308-P329 HydrophobicContact CD2-CB 4.5Å; L308-P330 HydrophobicContact CD1-CG 4.44Å; L308-W334 HydrophobicContact CB-CE3 4.02Å; L308-W334 HydrophobicContact CB-CH2 4.47Å; L308-W334 HydrophobicContact CB-CZ3 3.92Å; L308-W334 HydrophobicContact CD1-CD2 4.07Å; L308-W334 HydrophobicContact CD1-CE3 4.27Å; L308-W334 HydrophobicContact CD1-CZ2 4.4Å
309F93.8Very high91.8Very high4 Ų429.3 Ų29.32%0.01816%0.163CC..EExtended strand (participates in β ladder)trans-107.6145.4160.4-28.7-42000110.1Y183 N185 I290 K293 L307 R315Y183-F309 HydrophobicContact CD1-CE1 4.15Å; Y183-F309 AromaticContact CD1-CE2 3.71Å; Y183-F309 HydrophobicContact CD1-CE2 3.71Å; Y183-F309 AromaticContact CD1-CZ 3.26Å; Y183-F309 HydrophobicContact CD1-CZ 3.26Å; Y183-F309 HydrophobicContact CE1-CE2 4.34Å; Y183-F309 AromaticContact CE1-CZ 3.65Å; Y183-F309 HydrophobicContact CE1-CZ 3.65Å; Y183-F309 HydrophobicContact CG-CE2 4.27Å; Y183-F309 HydrophobicContact CG-CZ 4.24Å; N185-F309 WeakPolarHBondContact ND2-CA 2.99Å; N185-F309 WeakPolarHBondContact ND2-CB 3.47Å; N185-F309 VanDerWaalsContact ND2-CG 3.34Å; N185-F309 WeakPolarHBondContact ND2-CG 3.19Å; N185-F309 PolarHBondContact ND2-N 3.45Å; N185-F309 PolarHBondContact ND2-O 3.48Å; I290-F309 HydrophobicContact CD1-CE2 3.93Å; I290-F309 HydrophobicContact CD1-CZ 4.32Å; I290-F309 HydrophobicContact CG1-CE2 3.61Å; I290-F309 HydrophobicContact CG1-CZ 3.65Å; K293-F309 HydrophobicContact CB-CE1 4.04Å; K293-F309 HydrophobicContact CB-CZ 4.25Å; K293-F309 HydrophobicContact CD-CD1 4.47Å; K293-F309 HydrophobicContact CD-CE1 4.5Å; K293-F309 HydrophobicContact CG-CD1 3.91Å; K293-F309 HydrophobicContact CG-CE1 3.6Å; K293-F309 HydrophobicContact CG-CZ 4.18Å; L307-F309 HydrophobicContact CD2-CE1 3.89Å; L307-F309 HydrophobicContact CG-CD1 4.34Å; L307-F309 HydrophobicContact CG-CE1 3.95Å; F309-R315 VanDerWaalsContact CA-O 3.29Å; F309-R315 WeakPolarHBondContact CA-O 3.06Å
310C93.1Very high91.9Very high1 Ų132 Ų321%0.00716%0.161CC..  trans-72.5128.9176.3178.10000110.6D312 C313 D314 R315 W334 C336C310-D312 PolarHBondContact O-N 3.42Å; C310-C313 PolarHBondContact O-N 3.14Å; C310-D314 VanDerWaalsContact O-CA 3.26Å; C310-D314 WeakPolarHBondContact O-CA 3.3Å; C310-D314 PolarHBondContact O-N 3.27Å; C310-R315 PolarHBondContact N-O 3.46Å; C310-W334 HydrophobicContact CB-CE3 4.47Å; C310-W334 HydrophobicContact CB-CZ3 4.1Å; C310-C336 HydrophobicContact CB-CB 3.97Å; C310-C336 PolarHBondContact SG-N 3.21Å; C310-C336 VanDerWaalsContact SG-SG 3.62Å
311D90.9Very high92Very high14 Ų1432.2 Ų32.28%0.07516%0.164CC..THydrogen-bonded Turntrans-69.2-19.4179.5-70.5-49.5000113.6N185 P187 T275 S333 W334N185-D311 WeakPolarHBondContact CB-OD1 3.42Å; P187-D311 WeakPolarHBondContact CD-OD1 3.32Å; T275-D311 PolarHBondContact OG1-O 3.21Å; D311-S333 WeakPolarHBondContact OD2-CA 3.3Å; D311-S333 WeakPolarHBondContact OD2-CB 3.32Å; D311-W334 PolarHBondContact N-O 3.3Å; D311-W334 PolarHBondContact OD2-N 3.22Å
312D90.5Very high92Very high5 Ų529.9 Ų29.93%0.02715%0.146CC..THydrogen-bonded Turntrans-95.6-14.7178.9-76.5-48.6000114.5N277 M278 C310 S335 C339 L343 S348N277-D312 CarbonylContact C-O 3.46Å; N277-D312 PolarHBondContact ND2-OD1 2.95Å; M278-D312 WeakPolarHBondContact CA-O 3.33Å; M278-D312 PolarHBondContact N-O 3.24Å; C310-D312 PolarHBondContact O-N 3.42Å; D312-S335 PolarHBondContact OD2-OG 2.9Å; D312-C339 HydrophobicContact CB-CB 4.01Å; D312-L343 HydrophobicContact CB-CD1 4.03Å; D312-S348 PolarHBondContact OD2-N 3.19Å; D312-S348 PolarHBondContact OD2-OG 3.38Å
313C92.3Very high92Very high0 Ų034.1 Ų34.10%016%0.163CC..THydrogen-bonded Turntrans-149.96.3-178.574.20000115.6A281 Y285 C310 R315 C336 C339A281-C313 HydrophobicContact CB-CB 3.59Å; Y285-C313 PolarHBondContact OH-O 2.97Å; C310-C313 PolarHBondContact O-N 3.14Å; C313-R315 PolarHBondContact O-N 3.05Å; C313-R315 PolarHBondContact SG-NH1 3.3Å; C313-R315 VanDerWaalsContact SG-NH1 3.38Å; C313-C336 VanDerWaalsContact SG-SG 3.66Å; C313-C339 VanDerWaalsContact CB-SG 3.55Å; C313-C339 PolarHBondContact SG-SG 2.97Å
314D94Very high92.1Very high10 Ų1035.4 Ų35.45%0.05318%0.175CC..  trans55.212.6179.8-148.732.8000117.1M278 V282 W287 K293 C310M278-D314 HydrophobicContact CG-CB 4.12Å; M278-D314 HydrophobicContact SD-CB 3.52Å; M278-D314 VanDerWaalsContact SD-CB 3.52Å; V282-D314 HydrophobicContact CG1-CB 4.19Å; W287-D314 PolarHBondContact NE1-OD2 3.28Å; K293-D314 WeakPolarHBondContact CE-O 3.26Å; K293-D314 VanDerWaalsContact NZ-CG 3.28Å; K293-D314 PolarHBondContact NZ-O 2.91Å; K293-D314 IonicContact NZ-OD1 3.53Å; K293-D314 IonicContact NZ-OD2 2.92Å; K293-D314 PolarHBondContact NZ-OD2 3.48Å; C310-D314 VanDerWaalsContact O-CA 3.26Å; C310-D314 WeakPolarHBondContact O-CA 3.3Å; C310-D314 PolarHBondContact O-N 3.27Å
315R94Very high92.3Very high42 Ų4236.9 Ų36.916%0.15819%0.189CC..  trans-71138.7175.4-76.8-174.9-179.784.2-3.4111Y285 F309 C310 C313 Y317Y285-R315 VanDerWaalsContact CD1-CZ 3.47Å; Y285-R315 HydrophobicContact CE1-CG 4.34Å; Y285-R315 HydrophobicContact CE2-CG 3.98Å; Y285-R315 VanDerWaalsContact CG-NH2 3.3Å; F309-R315 VanDerWaalsContact CA-O 3.29Å; F309-R315 WeakPolarHBondContact CA-O 3.06Å; C310-R315 PolarHBondContact N-O 3.46Å; C313-R315 PolarHBondContact O-N 3.05Å; C313-R315 PolarHBondContact SG-NH1 3.3Å; C313-R315 VanDerWaalsContact SG-NH1 3.38Å; R315-Y317 HydrophobicContact CB-CD2 4.36Å; R315-Y317 HydrophobicContact CB-CE2 3.52Å; R315-Y317 WeakPolarHBondContact O-CD2 3.45Å
316G94.4Very high92.4Very high1 Ų136.5 Ų36.51%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-83140.2178.300000112.9C295 S296 L308C295-G316 CarbonylContact C-O 3.32Å; C295-G316 WeakPolarHBondContact CA-O 3.36Å; S296-G316 PolarHBondContact N-O 3.25Å; S296-G316 PolarHBondContact OG-O 3.37Å; L308-G316 CarbonylContact O-C 3.55Å; L308-G316 VanDerWaalsContact O-CA 3.28Å; L308-G316 WeakPolarHBondContact O-CA 3.04Å
317Y95.1Very high92.3Very high1 Ų139.7 Ų39.70%0.00421%0.21CC..EExtended strand (participates in β ladder)trans-146.4124175.9-65.4-87.9000110.8L297 L308 R315 M319 L322 W334 C336 H337L297-Y317 HydrophobicContact CD1-CD1 3.87Å; L297-Y317 HydrophobicContact CD1-CE1 4.39Å; L297-Y317 HydrophobicContact CD2-CE1 4.25Å; L297-Y317 HydrophobicContact CG-CD1 3.77Å; L297-Y317 HydrophobicContact CG-CE1 3.97Å; L308-Y317 PolarHBondContact N-O 3.16Å; L308-Y317 PolarHBondContact O-N 3.47Å; R315-Y317 HydrophobicContact CB-CD2 4.36Å; R315-Y317 HydrophobicContact CB-CE2 3.52Å; R315-Y317 WeakPolarHBondContact O-CD2 3.45Å; Y317-M319 PolarHBondContact O-N 3.48Å; Y317-L322 HydrophobicContact CD1-CD2 4.18Å; Y317-L322 HydrophobicContact CG-CD2 4.26Å; Y317-W334 AromaticContact CD2-CH2 3.5Å; Y317-W334 HydrophobicContact CD2-CH2 3.5Å; Y317-W334 AromaticContact CD2-CZ3 3.83Å; Y317-W334 HydrophobicContact CD2-CZ3 3.83Å; Y317-W334 HydrophobicContact CE2-CH2 4.28Å; Y317-W334 AromaticContact CG-CH2 3.77Å; Y317-W334 HydrophobicContact CG-CH2 3.77Å; Y317-W334 HydrophobicContact CG-CZ3 4.44Å; Y317-C336 HydrophobicContact CD2-CB 3.77Å; Y317-C336 HydrophobicContact CE1-CB 4.48Å; Y317-C336 HydrophobicContact CE2-CB 3.15Å; Y317-H337 AromaticContact CE1-CE1 3.64Å; Y317-H337 AromaticContact CE1-ND1 3.96Å
318H94.4Very high92Very high0 Ų046.7 Ų46.70%024%0.242CC..EExtended strand (participates in β ladder)trans-68137.1169.4-68.2118.1000110.1C295 C298 T300 E302 N303 Q306 Y320 C321 L322C295-H318 VanDerWaalsContact CB-CE1 3.47Å; C295-H318 WeakPolarHBondContact CB-CE1 3.37Å; C295-H318 WeakPolarHBondContact CB-ND1 3.36Å; C295-H318 PolarHBondContact SG-N 3.31Å; C295-H318 PolarHBondContact SG-ND1 3.4Å; C298-H318 PolarHBondContact SG-ND1 3.14Å; T300-H318 PolarHBondContact OG1-CE1 3.03Å; E302-H318 PolarHBondContact O-CE1 2.93Å; E302-H318 VanDerWaalsContact O-CE1 3.25Å; E302-H318 PolarHBondContact O-NE2 3.14Å; N303-H318 PolarHBondContact O-CD2 3.25Å; N303-H318 PolarHBondContact O-NE2 3.03Å; Q306-H318 WeakPolarHBondContact O-CA 3.5Å; H318-Y320 HydrophobicContact CB-CD1 3.91Å; H318-Y320 HydrophobicContact CB-CD2 4.11Å; H318-Y320 HydrophobicContact CB-CE1 3.58Å; H318-Y320 HydrophobicContact CB-CE2 3.82Å; H318-Y320 HydrophobicContact CB-CG 4.15Å; H318-Y320 AromaticContact CD2-CE1 3.75Å; H318-Y320 AromaticContact CD2-CZ 3.76Å; H318-Y320 PolarHBondContact CD2-OH 2.73Å; H318-Y320 PolarHBondContact CE1-OH 3.46Å; H318-Y320 AromaticContact CG-CE1 3.66Å; H318-Y320 AromaticContact CG-CZ 3.39Å; H318-Y320 VanDerWaalsContact CG-OH 3.28Å; H318-Y320 AromaticContact ND1-CZ 3.7Å; H318-Y320 PolarHBondContact ND1-OH 3.05Å; H318-Y320 PolarHBondContact NE2-OH 2.68Å; H318-Y320 PolarHBondContact O-N 3.26Å; H318-C321 HydrophobicContact CB-CB 3.98Å; H318-C321 WeakPolarHBondContact O-CB 3.27Å; H318-C321 PolarHBondContact O-N 3.09Å; H318-L322 PolarHBondContact O-N 3.03Å
319M92.8Very high91.7Very high2 Ų249.2 Ų49.21%0.0126%0.259CS..G310 helixtrans-55.4-37.7176.4-69171.545.600112.7K184 Q306 L308 Y317 C321 L322 P325 M326 T327 Q328K184-M319 HydrophobicContact CD-SD 3.8Å; K184-M319 PolarHBondContact NZ-SD 3.41Å; Q306-M319 WeakPolarHBondContact O-CG 2.96Å; Q306-M319 PolarHBondContact O-N 3.01Å; L308-M319 HydrophobicContact CD1-CG 3.79Å; L308-M319 HydrophobicContact CD2-CG 4.05Å; L308-M319 HydrophobicContact CD2-SD 4.19Å; L308-M319 HydrophobicContact CG-CG 3.64Å; L308-M319 HydrophobicContact CG-SD 4.43Å; Y317-M319 PolarHBondContact O-N 3.48Å; M319-C321 VanDerWaalsContact C-N 3.34Å; M319-L322 PolarHBondContact O-N 3.37Å; M319-P325 WeakPolarHBondContact O-CA 3.23Å; M319-M326 HydrophobicContact CB-CB 4.04Å; M319-M326 WeakPolarHBondContact CB-O 3.24Å; M319-M326 HydrophobicContact CE-CB 4.13Å; M319-M326 WeakPolarHBondContact CE-O 3.38Å; M319-M326 HydrophobicContact CG-CB 4.34Å; M319-M326 PolarHBondContact O-N 2.83Å; M319-T327 WeakPolarHBondContact CE-O 3.39Å; M319-Q328 VanDerWaalsContact CE-CA 3.43Å; M319-Q328 VanDerWaalsContact CE-O 3.32Å; M319-Q328 WeakPolarHBondContact CE-O 3.34Å
320Y94.1Very high91.3Very high94 Ų9450.2 Ų50.237%0.36927%0.266SS..G310 helixtrans-78.3-14.3177.360.1-100.8000114.1N303 Q306 H318N303-Y320 HydrophobicContact CB-CE1 4.21Å; N303-Y320 PolarHBondContact ND2-OH 2.86Å; Q306-Y320 HydrophobicContact CB-CD1 4.33Å; Q306-Y320 HydrophobicContact CB-CE1 4.21Å; H318-Y320 HydrophobicContact CB-CD1 3.91Å; H318-Y320 HydrophobicContact CB-CD2 4.11Å; H318-Y320 HydrophobicContact CB-CE1 3.58Å; H318-Y320 HydrophobicContact CB-CE2 3.82Å; H318-Y320 HydrophobicContact CB-CG 4.15Å; H318-Y320 AromaticContact CD2-CE1 3.75Å; H318-Y320 AromaticContact CD2-CZ 3.76Å; H318-Y320 PolarHBondContact CD2-OH 2.73Å; H318-Y320 PolarHBondContact CE1-OH 3.46Å; H318-Y320 AromaticContact CG-CE1 3.66Å; H318-Y320 AromaticContact CG-CZ 3.39Å; H318-Y320 VanDerWaalsContact CG-OH 3.28Å; H318-Y320 AromaticContact ND1-CZ 3.7Å; H318-Y320 PolarHBondContact ND1-OH 3.05Å; H318-Y320 PolarHBondContact NE2-OH 2.68Å; H318-Y320 PolarHBondContact O-N 3.26Å
321C94.8Very high90.8Very high29 Ų2958.9 Ų58.920%0.19631%0.306CS..G310 helixtrans-85.1-19174.2-71.80000112.5L297 H318 M319L297-C321 HydrophobicContact CB-CB 4.01Å; L297-C321 HydrophobicContact CD1-CB 3.78Å; L297-C321 VanDerWaalsContact CD1-O 3.23Å; L297-C321 WeakPolarHBondContact CD1-O 3.09Å; H318-C321 HydrophobicContact CB-CB 3.98Å; H318-C321 WeakPolarHBondContact O-CB 3.27Å; H318-C321 PolarHBondContact O-N 3.09Å; M319-C321 VanDerWaalsContact C-N 3.34Å
322L92.8Very high90.4Very high18 Ų1861.3 Ų61.39%0.09433%0.334CS..SBendtrans-65.6158.7176.9-61.4176000111.5L297 L308 Y317 H318 M319 P324 P325 M326 W334L297-L322 HydrophobicContact CD1-CD2 4.36Å; L308-L322 HydrophobicContact CD1-CD1 4.18Å; Y317-L322 HydrophobicContact CD1-CD2 4.18Å; Y317-L322 HydrophobicContact CG-CD2 4.26Å; H318-L322 PolarHBondContact O-N 3.03Å; M319-L322 PolarHBondContact O-N 3.37Å; L322-P324 CarbonylContact C-O 3.55Å; L322-P324 WeakPolarHBondContact CB-O 3.25Å; L322-P324 CarbonylContact O-C 3.59Å; L322-P325 VanDerWaalsContact O-CA 3.31Å; L322-P325 WeakPolarHBondContact O-CA 3.31Å; L322-P325 VanDerWaalsContact O-N 3.14Å; L322-M326 HydrophobicContact CD1-CE 4.1Å; L322-M326 HydrophobicContact CD1-CG 4.03Å; L322-M326 HydrophobicContact CD1-SD 3.6Å; L322-M326 VanDerWaalsContact CD1-SD 3.6Å; L322-W334 HydrophobicContact CD1-CZ2 3.8Å; L322-W334 HydrophobicContact CD2-CH2 4.27Å; L322-W334 HydrophobicContact CD2-CZ2 3.93Å
323K89.2Confident90.2Very high205 Ų20564.2 Ų64.289%0.89136%0.355SS*.SBendtrans-130.1108.2175-66.5-177.4-176.2176.60108.7
324P90.4Very high90.1Very high109 Ų10965 Ų6571%0.70836%0.358SS*.SBendcis-66.1152.6-3.229.3-35.1000112.9L322L322-P324 CarbonylContact C-O 3.55Å; L322-P324 WeakPolarHBondContact CB-O 3.25Å; L322-P324 CarbonylContact O-C 3.59Å
325P92.3Very high89.9Confident91 Ų9164.7 Ų64.759%0.59136%0.357SS*.PPolyproline II helixtrans-69.3141.7176.229.3-33.9000110.3M319 L322M319-P325 WeakPolarHBondContact O-CA 3.23Å; L322-P325 VanDerWaalsContact O-CA 3.31Å; L322-P325 WeakPolarHBondContact O-CA 3.31Å; L322-P325 VanDerWaalsContact O-N 3.14Å
326M88.6Confident89.8Confident64 Ų6462.7 Ų62.732%0.31535%0.349SS..PPolyproline II helixtrans-97139.4178-65.2179.3175.600110.4L308 M319 L322L308-M326 HydrophobicContact CD1-SD 4.16Å; M319-M326 HydrophobicContact CB-CB 4.04Å; M319-M326 WeakPolarHBondContact CB-O 3.24Å; M319-M326 HydrophobicContact CE-CB 4.13Å; M319-M326 WeakPolarHBondContact CE-O 3.38Å; M319-M326 HydrophobicContact CG-CB 4.34Å; M319-M326 PolarHBondContact O-N 2.83Å; L322-M326 HydrophobicContact CD1-CE 4.1Å; L322-M326 HydrophobicContact CD1-CG 4.03Å; L322-M326 HydrophobicContact CD1-SD 3.6Å; L322-M326 VanDerWaalsContact CD1-SD 3.6Å
327T87.1Confident89.7Confident135 Ų13566.5 Ų66.583%0.82837%0.367SS*.SBendtrans-98.2-27.3177.253.40000112.4M319M319-T327 WeakPolarHBondContact CE-O 3.39Å
328Q86Confident89.5Confident150 Ų15069.6 Ų69.670%0.70138%0.383SS*.SBendtrans-126.7149.7176.6-62.7-171.226.800110.6M319M319-Q328 VanDerWaalsContact CE-CA 3.43Å; M319-Q328 VanDerWaalsContact CE-O 3.32Å; M319-Q328 WeakPolarHBondContact CE-O 3.34Å
329P86.2Confident89.3Confident58 Ų5870 Ų7038%0.37739%0.385SS..PPolyproline II helixtrans-55.6140.5169.920.7-29.6000110.3K184 L308K184-P329 HydrophobicContact CB-CB 4.09Å; K184-P329 HydrophobicContact CD-CB 3.81Å; K184-P329 HydrophobicContact CD-CG 4.28Å; K184-P329 HydrophobicContact CG-CB 3.87Å; K184-P329 HydrophobicContact CG-CG 4.36Å; L308-P329 HydrophobicContact CD2-CB 4.5Å
330P85.3Confident89.1Confident25 Ų2572.1 Ų72.116%0.16240%0.397CS..PPolyproline II helixtrans-62.9144.2173.925.5-31.8000110.6L308 G332 W334L308-P330 HydrophobicContact CD1-CG 4.44Å; P330-G332 PolarHBondContact O-N 3.48Å; P330-W334 HydrophobicContact CB-CB 4.36Å; P330-W334 HydrophobicContact CG-CB 3.51Å; P330-W334 HydrophobicContact CG-CG 3.73Å
331E81.6Confident88.7Confident183 Ų18373.3 Ų73.386%0.85541%0.409SS*.SBendtrans-75.5121.6172.1-64.2-169.4168.600109.5
332G83.7Confident88.2Confident65 Ų6578.7 Ų78.767%0.6744%0.436SS*.SBendtrans87.5-145.7-179.400000113.5P330P330-G332 PolarHBondContact O-N 3.48Å
333S85Confident87.4Confident67 Ų6780 Ų8047%0.46944%0.442SS..  trans-84.6141.8-174.3-640000112.3D311D311-S333 WeakPolarHBondContact OD2-CA 3.3Å; D311-S333 WeakPolarHBondContact OD2-CB 3.32Å
334W90Very high86.9Confident16 Ų1677.4 Ų77.46%0.06143%0.431CS..  trans-131.1131.8-179.7177.781.5000112.4L308 C310 D311 Y317 L322 P330 C336L308-W334 HydrophobicContact CB-CE3 4.02Å; L308-W334 HydrophobicContact CB-CH2 4.47Å; L308-W334 HydrophobicContact CB-CZ3 3.92Å; L308-W334 HydrophobicContact CD1-CD2 4.07Å; L308-W334 HydrophobicContact CD1-CE3 4.27Å; L308-W334 HydrophobicContact CD1-CZ2 4.4Å; C310-W334 HydrophobicContact CB-CE3 4.47Å; C310-W334 HydrophobicContact CB-CZ3 4.1Å; D311-W334 PolarHBondContact N-O 3.3Å; D311-W334 PolarHBondContact OD2-N 3.22Å; Y317-W334 AromaticContact CD2-CH2 3.5Å; Y317-W334 HydrophobicContact CD2-CH2 3.5Å; Y317-W334 AromaticContact CD2-CZ3 3.83Å; Y317-W334 HydrophobicContact CD2-CZ3 3.83Å; Y317-W334 HydrophobicContact CE2-CH2 4.28Å; Y317-W334 AromaticContact CG-CH2 3.77Å; Y317-W334 HydrophobicContact CG-CH2 3.77Å; Y317-W334 HydrophobicContact CG-CZ3 4.44Å; L322-W334 HydrophobicContact CD1-CZ2 3.8Å; L322-W334 HydrophobicContact CD2-CH2 4.27Å; L322-W334 HydrophobicContact CD2-CZ2 3.93Å; P330-W334 HydrophobicContact CB-CB 4.36Å; P330-W334 HydrophobicContact CG-CB 3.51Å; P330-W334 HydrophobicContact CG-CG 3.73Å; W334-C336 HydrophobicContact CH2-CB 3.68Å; W334-C336 HydrophobicContact CZ2-CB 4.3Å; W334-C336 HydrophobicContact CZ3-CB 4.08Å
335S91.3Very high85.8Confident4 Ų480.3 Ų80.33%0.02844%0.441CS..  trans-111.7136.8176.8-55.30000110.8D312 S348D312-S335 PolarHBondContact OD2-OG 2.9Å; S335-S348 WeakPolarHBondContact CB-O 3.37Å; S335-S348 PolarHBondContact N-O 3.44Å; S335-S348 VanDerWaalsContact OG-C 3.27Å; S335-S348 WeakPolarHBondContact OG-CA 3.42Å; S335-S348 WeakPolarHBondContact OG-CB 3.37Å; S335-S348 PolarHBondContact OG-N 2.89Å; S335-S348 PolarHBondContact OG-O 3.46Å
336C92Very high84.5Confident0 Ų084 Ų840%045%0.447CS..  trans-72.7161.7173.372.60000111.9C310 C313 Y317 W334 L338 C339 L340C310-C336 HydrophobicContact CB-CB 3.97Å; C310-C336 PolarHBondContact SG-N 3.21Å; C310-C336 VanDerWaalsContact SG-SG 3.62Å; C313-C336 VanDerWaalsContact SG-SG 3.66Å; Y317-C336 HydrophobicContact CD2-CB 3.77Å; Y317-C336 HydrophobicContact CE1-CB 4.48Å; Y317-C336 HydrophobicContact CE2-CB 3.15Å; W334-C336 HydrophobicContact CH2-CB 3.68Å; W334-C336 HydrophobicContact CZ2-CB 4.3Å; W334-C336 HydrophobicContact CZ3-CB 4.08Å; C336-L338 PolarHBondContact O-N 2.96Å; C336-L338 VanDerWaalsContact O-N 3.16Å; C336-C339 PolarHBondContact O-N 3.25Å; C336-L340 WeakPolarHBondContact O-CG 3.24Å; C336-L340 PolarHBondContact O-N 2.8Å
337H90.4Very high83.5Confident81 Ų8181.4 Ų81.438%0.37544%0.436SS..Hα-helixtrans-51.5-38.9179.465.7-78.1000113.7Y317 C339 L340 D341Y317-H337 AromaticContact CE1-CE1 3.64Å; Y317-H337 AromaticContact CE1-ND1 3.96Å; H337-C339 VanDerWaalsContact C-N 3.34Å; H337-C339 PolarHBondContact O-N 3.33Å; H337-L340 PolarHBondContact O-N 2.99Å; H337-D341 WeakPolarHBondContact O-CB 3.47Å; H337-D341 VanDerWaalsContact O-CG 3.25Å; H337-D341 PolarHBondContact O-N 3.2Å
338L91.1Very high82.3Confident65 Ų6576.9 Ų76.934%0.3441%0.41SS..Hα-helixtrans-62.3-39.9177.2-59.2178.8000112.9C336 L342C336-L338 PolarHBondContact O-N 2.96Å; C336-L338 VanDerWaalsContact O-N 3.16Å; L338-L342 VanDerWaalsContact O-CB 3.31Å; L338-L342 WeakPolarHBondContact O-CB 3.45Å; L338-L342 PolarHBondContact O-N 2.94Å; L338-L342 VanDerWaalsContact O-N 3.14Å
339C90.6Very high81Confident8 Ų872.9 Ų72.95%0.05440%0.403CS..Hα-helixtrans-73.6-37.7176.9-71.50000111.3D312 C313 C336 H337 D341 L342 L343D312-C339 HydrophobicContact CB-CB 4.01Å; C313-C339 VanDerWaalsContact CB-SG 3.55Å; C313-C339 PolarHBondContact SG-SG 2.97Å; C336-C339 PolarHBondContact O-N 3.25Å; H337-C339 VanDerWaalsContact C-N 3.34Å; H337-C339 PolarHBondContact O-N 3.33Å; C339-D341 VanDerWaalsContact C-N 3.33Å; C339-D341 PolarHBondContact O-N 3.36Å; C339-L342 PolarHBondContact O-N 3.31Å; C339-L343 HydrophobicContact CB-CD1 4.29Å; C339-L343 WeakPolarHBondContact O-CA 3.26Å; C339-L343 WeakPolarHBondContact O-CB 3.29Å; C339-L343 PolarHBondContact O-N 3.45Å
340L88.4Confident79.2Confident47 Ų4774 Ų7425%0.24640%0.403CS..Hα-helixtrans-61.2-42.6175-65.8170.9000111.2C336 H337 K344 A347 A349C336-L340 WeakPolarHBondContact O-CG 3.24Å; C336-L340 PolarHBondContact O-N 2.8Å; H337-L340 PolarHBondContact O-N 2.99Å; L340-K344 VanDerWaalsContact O-CA 3.25Å; L340-K344 WeakPolarHBondContact O-CA 3.41Å; L340-K344 PolarHBondContact O-N 3.38Å; L340-A347 HydrophobicContact CD2-CB 3.69Å; L340-A349 HydrophobicContact CD2-CB 4.16Å
341D87.1Confident77.3Confident119 Ų11979.1 Ų79.164%0.63643%0.428SS*.Hα-helixtrans-68.2-39.3178.8-68.8-22.8000112.5H337 C339H337-D341 WeakPolarHBondContact O-CB 3.47Å; H337-D341 VanDerWaalsContact O-CG 3.25Å; H337-D341 PolarHBondContact O-N 3.2Å; C339-D341 VanDerWaalsContact C-N 3.33Å; C339-D341 PolarHBondContact O-N 3.36Å
342L83.5Confident75.2Confident143 Ų14378.3 Ų78.375%0.74942%0.424SS*.Hα-helixtrans-80-45.7-176.8-176.366.5000113L338 C339L338-L342 VanDerWaalsContact O-CB 3.31Å; L338-L342 WeakPolarHBondContact O-CB 3.45Å; L338-L342 PolarHBondContact O-N 2.94Å; L338-L342 VanDerWaalsContact O-N 3.14Å; C339-L342 PolarHBondContact O-N 3.31Å
343L76.6Confident72.8Confident44 Ų4483.3 Ų83.323%0.2346%0.459CS..Hα-helixtrans-95.5-17.2-171.4-59.1175000112.6D312 C339 D345 K346 A347D312-L343 HydrophobicContact CB-CD1 4.03Å; C339-L343 HydrophobicContact CB-CD1 4.29Å; C339-L343 WeakPolarHBondContact O-CA 3.26Å; C339-L343 WeakPolarHBondContact O-CB 3.29Å; C339-L343 PolarHBondContact O-N 3.45Å; L343-D345 PolarHBondContact O-N 3.06Å; L343-D345 VanDerWaalsContact O-N 3.11Å; L343-K346 HydrophobicContact CB-CB 4.14Å; L343-K346 WeakPolarHBondContact O-CB 3.46Å; L343-K346 PolarHBondContact O-N 3.23Å; L343-A347 HydrophobicContact CB-CB 4.08Å
344K77.8Confident72.2Confident152 Ų15284.1 Ų84.166%0.66146%0.458SS*.G310 helixtrans46.4-115.5-177.1-60.4-178.9-1791790110.8L340 K346 A347L340-K344 VanDerWaalsContact O-CA 3.25Å; L340-K344 WeakPolarHBondContact O-CA 3.41Å; L340-K344 PolarHBondContact O-N 3.38Å; K344-K346 PolarHBondContact O-N 3.23Å; K344-K346 VanDerWaalsContact O-N 3.13Å; K344-A347 WeakPolarHBondContact O-CB 3.21Å; K344-A347 PolarHBondContact O-N 3.11Å; K344-A347 VanDerWaalsContact O-N 3.09Å
345D66.5Low71.3Confident170 Ų17087.7 Ų87.791%0.90948%0.479SS*.G310 helixtrans-65.9-14-177.8-53.5-34.5000114.1L343L343-D345 PolarHBondContact O-N 3.06Å; L343-D345 VanDerWaalsContact O-N 3.11Å
346K65.6Low70.1Confident167 Ų16792.3 Ų92.373%0.72650%0.504SS*.G310 helixtrans-89.2-8.9176.3-62.2-178.8179.6-179.40113.3L343 K344L343-K346 HydrophobicContact CB-CB 4.14Å; L343-K346 WeakPolarHBondContact O-CB 3.46Å; L343-K346 PolarHBondContact O-N 3.23Å; K344-K346 PolarHBondContact O-N 3.23Å; K344-K346 VanDerWaalsContact O-N 3.13Å
347A66.8Low68.9Low10 Ų1097.8 Ų97.88%0.08353%0.534CS..SBendtrans-72.2147.4175.600000110.2L340 L343 K344 A349L340-A347 HydrophobicContact CD2-CB 3.69Å; L343-A347 HydrophobicContact CB-CB 4.08Å; K344-A347 WeakPolarHBondContact O-CB 3.21Å; K344-A347 PolarHBondContact O-N 3.11Å; K344-A347 VanDerWaalsContact O-N 3.09Å; A347-A349 PolarHBondContact O-N 3.13Å
348S63.5Low67.5Low40 Ų4098.8 Ų98.828%0.2854%0.544SS..  trans-7183.6171.6-52.50000108.8D312 S335D312-S348 PolarHBondContact OD2-N 3.19Å; D312-S348 PolarHBondContact OD2-OG 3.38Å; S335-S348 WeakPolarHBondContact CB-O 3.37Å; S335-S348 PolarHBondContact N-O 3.44Å; S335-S348 VanDerWaalsContact OG-C 3.27Å; S335-S348 WeakPolarHBondContact OG-CA 3.42Å; S335-S348 WeakPolarHBondContact OG-CB 3.37Å; S335-S348 PolarHBondContact OG-N 2.89Å; S335-S348 PolarHBondContact OG-O 3.46Å
349A58.5Low65.9Low67 Ų67101.1 Ų101.155%0.55456%0.557SS**  trans-89.3122.2-170.700000112.1L340 A347L340-A349 HydrophobicContact CD2-CB 4.16Å; A347-A349 PolarHBondContact O-N 3.13Å
350H48Very low64.2Low81 Ų81107.7 Ų107.738%0.37559%0.593SS.*  trans-117.1113.1147.4-174.148.3000107.6
351I45.6Very low62.3Low133 Ų133112.4 Ų112.468%0.68262%0.62SS**  trans-120.1101.4169.2-58.4176.5000104.8
352E38Very low60.3Low165 Ų165111.8 Ų111.877%0.77162%0.619SS**  trans-83.8127.3159.5-99.7-179.6176.300108.3
353A32.6Very low58.1Low170 Ų170109 Ų109100%1.40561%0.607SS**  trans-75.20-174.700000113.3

Retrieved 353 of 353 residues in 391.2 ms (Link to these results)