A0A087XKC1_POEFO Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A087XKC1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 431 aa.

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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
1M35.4Very low41.1Very low248 Ų248138.2 Ų138.2100%1.22282%0.822SS**  0144.60-71.5167.512500107.6
2S39.9Very low41.2Very low100 Ų100146.8 Ų146.870%0.69983%0.829SS**  trans-70177.6171-29.20000110.5
3P54.1Low41.1Very low119 Ų119149.2 Ų149.277%0.77383%0.83SS**  cis-106.3165.927.9420.6000113.4
4V39Very low42Very low109 Ų109148.4 Ų148.466%0.66182%0.816SS**  cis67.190.111.8-168.80000115.7
5S43.4Very low43.1Very low113 Ų113147.5 Ų147.579%0.7981%0.809SS**  trans-136.987.5163.659.30000109.2
6E41.6Very low45.2Very low169 Ų169143.6 Ų143.679%0.7980%0.802SS**  trans-70.8141.1170.7-65.1153.5141.400109.5
7V42.3Very low47.3Very low136 Ų136137.6 Ų137.682%0.82477%0.768SS**  trans-137.587.1165.7-94.90000108.3E9V7-E9 PolarHBondContact O-N 2.93Å; V7-E9 VanDerWaalsContact O-N 3.12Å
8E43.6Very low49.5Very low197 Ų197133.5 Ų133.592%0.92175%0.747SS**  trans-75.386.9167.7-66.9-164.9134.500109.8
9E36Very low51.3Low183 Ų183129.5 Ų129.586%0.85572%0.719SS**  trans-87.1111.6163.8-69.5-156.9138.700109.9V7 G11V7-E9 PolarHBondContact O-N 2.93Å; V7-E9 VanDerWaalsContact O-N 3.12Å; E9-G11 VanDerWaalsContact C-N 3.27Å; E9-G11 PolarHBondContact O-N 2.72Å
10G41.3Very low53.1Low82 Ų82128.1 Ų128.185%0.84571%0.707SS**  trans-68.674.1-176.400000113.8R12G10-R12 PolarHBondContact O-N 3.32Å
11G35.6Very low54.8Low64 Ų64126.5 Ų126.566%0.6670%0.697SS**  trans-57.6119.5170.700000110.8E9 Q13E9-G11 VanDerWaalsContact C-N 3.27Å; E9-G11 PolarHBondContact O-N 2.72Å; G11-Q13 PolarHBondContact O-N 3.33Å; G11-Q13 VanDerWaalsContact O-N 3.1Å
12R42.2Very low57.4Low241 Ų241114.7 Ų114.791%0.90964%0.639SS**  trans-54.3118.7170.5-76.5177.3168.5-175.2-4.1108.6G10 E14G10-R12 PolarHBondContact O-N 3.32Å; R12-E14 PolarHBondContact O-N 3.06Å
13Q40.4Very low60Low179 Ų179112.2 Ų112.284%0.83662%0.618SS**  trans-70.281.3165.7-71.5-175.9-6.600108.7G11 L15G11-Q13 PolarHBondContact O-N 3.33Å; G11-Q13 VanDerWaalsContact O-N 3.1Å; Q13-L15 VanDerWaalsContact C-N 3.29Å; Q13-L15 PolarHBondContact O-N 3.15Å
14E52.7Low61.9Low138 Ų138106.6 Ų106.665%0.64558%0.581SS**  trans-65.993.4167.4173.8165173.400107.8R12 A16 R87R12-E14 PolarHBondContact O-N 3.06Å; E14-A16 PolarHBondContact O-N 2.97Å; E14-R87 IonicContact OE1-CZ 2.78Å; E14-R87 VanDerWaalsContact OE1-CZ 3.22Å; E14-R87 IonicContact OE1-NE 2.93Å; E14-R87 PolarHBondContact OE1-NE 3.47Å; E14-R87 IonicContact OE1-NH2 3.08Å; E14-R87 PolarHBondContact OE1-NH2 2.93Å
15L59.3Low64.4Low135 Ų135103.9 Ų103.971%0.70757%0.566SS**  trans-50.9106.8-178.9-67.1172.2000109.8Q13 L17 R87Q13-L15 VanDerWaalsContact C-N 3.29Å; Q13-L15 PolarHBondContact O-N 3.15Å; L15-L17 PolarHBondContact O-N 3.42Å; L15-R87 PolarHBondContact O-NH1 3.38Å; L15-R87 PolarHBondContact O-NH2 3.08Å
16A76.2Confident66.7Low85 Ų85101.4 Ų101.470%0.70255%0.546SS*.  trans-65.4116.6-178.500000108.9E14 T18E14-A16 PolarHBondContact O-N 2.97Å; A16-T18 PolarHBondContact O-N 3.23Å
17L80.9Confident69Low41 Ų4195.4 Ų95.422%0.21552%0.522CS..  trans-69.9129.6175.3-58.3174.3000108.2L15 D21 L84 R87 L91L15-L17 PolarHBondContact O-N 3.42Å; L17-D21 HydrophobicContact CB-CB 4.22Å; L17-D21 HydrophobicContact CD2-CB 4.35Å; L17-L84 HydrophobicContact CD1-CD1 4.05Å; L17-R87 HydrophobicContact CD1-CG 4.29Å; L17-L91 HydrophobicContact CB-CD1 4.05Å
18T87.4Confident71.3Confident64 Ų6494.5 Ų94.539%0.39351%0.512SS..  trans-76.4176.2172.382.70000110.6A16 E20 D21 C22A16-T18 PolarHBondContact O-N 3.23Å; T18-E20 VanDerWaalsContact C-N 3.26Å; T18-E20 WeakPolarHBondContact CB-OE2 3.49Å; T18-E20 PolarHBondContact O-N 2.97Å; T18-E20 PolarHBondContact OG1-N 3.21Å; T18-E20 PolarHBondContact OG1-OE2 3.29Å; T18-D21 PolarHBondContact N-OD2 2.94Å; T18-D21 PolarHBondContact OG1-N 3Å; T18-C22 PolarHBondContact O-SG 3.33Å
19W83.6Confident73.6Confident58 Ų5885.9 Ų85.922%0.2247%0.472CS..THydrogen-bonded Turntrans-60.1-41171.9168.2-111.5000111.2C22 L23 I30 F92 Q95W19-C22 WeakPolarHBondContact O-CB 3.41Å; W19-C22 PolarHBondContact O-N 2.96Å; W19-C22 VanDerWaalsContact O-N 3.11Å; W19-L23 HydrophobicContact CD2-CD2 4.24Å; W19-L23 HydrophobicContact CH2-CD2 4.26Å; W19-L23 HydrophobicContact CZ2-CD2 3.76Å; W19-L23 WeakPolarHBondContact O-CG 3.29Å; W19-I30 HydrophobicContact CH2-CB 3.86Å; W19-I30 HydrophobicContact CH2-CD1 4.44Å; W19-I30 HydrophobicContact CH2-CG2 4.24Å; W19-I30 HydrophobicContact CZ3-CB 3.97Å; W19-I30 HydrophobicContact CZ3-CD1 3.73Å; W19-I30 HydrophobicContact CZ3-CG1 4.33Å; W19-F92 HydrophobicContact CB-CE1 4.16Å; W19-F92 HydrophobicContact CB-CZ 4.2Å; W19-F92 AromaticContact CE3-CD1 3.79Å; W19-F92 HydrophobicContact CE3-CD1 3.79Å; W19-F92 HydrophobicContact CE3-CE1 4.1Å; W19-F92 HydrophobicContact CE3-CG 4.08Å; W19-F92 HydrophobicContact CZ3-CB 4.44Å; W19-F92 HydrophobicContact CZ3-CD1 4.36Å; W19-F92 HydrophobicContact CZ3-CG 4.4Å; W19-Q95 HydrophobicContact CE3-CG 4.43Å; W19-Q95 HydrophobicContact CH2-CB 3.79Å; W19-Q95 HydrophobicContact CH2-CG 3.78Å; W19-Q95 HydrophobicContact CZ3-CB 3.56Å; W19-Q95 HydrophobicContact CZ3-CG 3.52Å
20E86.6Confident76.3Confident100 Ų10077.2 Ų77.247%0.46743%0.432SS..G310 helixtrans-65.3-41.6-178.6-60.665.9-142.600112.1T18 C22 L23T18-E20 VanDerWaalsContact C-N 3.26Å; T18-E20 WeakPolarHBondContact CB-OE2 3.49Å; T18-E20 PolarHBondContact O-N 2.97Å; T18-E20 PolarHBondContact OG1-N 3.21Å; T18-E20 PolarHBondContact OG1-OE2 3.29Å; E20-C22 PolarHBondContact O-N 3.22Å; E20-L23 PolarHBondContact O-N 3.18Å
21D88.8Confident78.8Confident96 Ų9673.8 Ų73.851%0.51339%0.394SS..G310 helixtrans-59.3-24.8173.6-68.6-39.3000112.5L17 T18L17-D21 HydrophobicContact CB-CB 4.22Å; L17-D21 HydrophobicContact CD2-CB 4.35Å; T18-D21 PolarHBondContact N-OD2 2.94Å; T18-D21 PolarHBondContact OG1-N 3Å
22C91.7Very high81.6Confident0 Ų072 Ų720%037%0.369CS..G310 helixtrans-91.95.3-177.5-60.10000113.8T18 W19 E20 I30 F31 I88 F92T18-C22 PolarHBondContact O-SG 3.33Å; W19-C22 WeakPolarHBondContact O-CB 3.41Å; W19-C22 PolarHBondContact O-N 2.96Å; W19-C22 VanDerWaalsContact O-N 3.11Å; E20-C22 PolarHBondContact O-N 3.22Å; C22-I30 WeakPolarHBondContact O-CA 3.42Å; C22-F31 WeakPolarHBondContact O-CD2 3.42Å; C22-F31 PolarHBondContact O-N 3.41Å; C22-I88 HydrophobicContact CB-CD1 4.36Å; C22-I88 HydrophobicContact CB-CG1 4.31Å; C22-I88 HydrophobicContact CB-CG2 4.49Å; C22-F92 HydrophobicContact CB-CD2 4.19Å; C22-F92 HydrophobicContact CB-CE2 4.22Å; C22-F92 VanDerWaalsContact SG-CE2 3.51Å
23L92.9Very high84.2Confident48 Ų4863.8 Ų63.825%0.25134%0.341SS..EExtended strand (participates in β ladder)trans-92.3136.1-178.8-54.9-176.4000113.1W19 E20 P25 F31W19-L23 HydrophobicContact CD2-CD2 4.24Å; W19-L23 HydrophobicContact CH2-CD2 4.26Å; W19-L23 HydrophobicContact CZ2-CD2 3.76Å; W19-L23 WeakPolarHBondContact O-CG 3.29Å; E20-L23 PolarHBondContact O-N 3.18Å; L23-P25 WeakPolarHBondContact O-CD 3.48Å; L23-F31 WeakPolarHBondContact O-CE2 3.38Å; L23-F31 VanDerWaalsContact O-CZ 3.25Å; L23-F31 WeakPolarHBondContact O-CZ 3.28Å
24C93.9Very high86.8Confident0 Ų055.2 Ų55.20%030%0.301CS..EExtended strand (participates in β ladder)trans-76.6121.2174.1177.30000111.4V26 C27 L28 D29 F31 C44C24-V26 PolarHBondContact O-N 2.8Å; C24-C27 VanDerWaalsContact CB-SG 3.59Å; C24-C27 PolarHBondContact O-N 2.98Å; C24-C27 VanDerWaalsContact SG-SG 3.68Å; C24-L28 WeakPolarHBondContact O-CA 3.11Å; C24-L28 PolarHBondContact O-N 2.88Å; C24-D29 WeakPolarHBondContact CB-O 3.45Å; C24-D29 PolarHBondContact N-O 3.36Å; C24-F31 VanDerWaalsContact CA-CE1 3.42Å; C24-F31 HydrophobicContact CB-CD1 3.7Å; C24-F31 HydrophobicContact CB-CE1 3.69Å; C24-C44 WeakPolarHBondContact CB-SG 3.46Å; C24-C44 PolarHBondContact SG-N 3.39Å; C24-C44 VanDerWaalsContact SG-N 3.36Å; C24-C44 VanDerWaalsContact SG-SG 3.7Å
25P92.4Very high88.9Confident52 Ų5248.7 Ų48.734%0.33827%0.27SS..THydrogen-bonded Turntrans-71.3-1.8-175.529.7-36.9000114.6L23 F43 M61L23-P25 WeakPolarHBondContact O-CD 3.48Å; P25-F43 HydrophobicContact CG-CD1 4.12Å; P25-F43 HydrophobicContact CG-CE1 3.81Å; P25-M61 HydrophobicContact CB-CE 4.21Å; P25-M61 HydrophobicContact CB-SD 3.76Å; P25-M61 HydrophobicContact CG-CG 4.2Å; P25-M61 HydrophobicContact CG-SD 3.97Å
26V91.2Very high90.7Very high62 Ų6244 Ų4438%0.37625%0.247SC..THydrogen-bonded Turntrans-97.3-31.4176.4171.80000112.5C24 F43 C47 P60C24-V26 PolarHBondContact O-N 2.8Å; V26-F43 HydrophobicContact CG2-CD1 3.59Å; V26-F43 HydrophobicContact CG2-CE1 3.88Å; V26-C47 HydrophobicContact CB-CB 4.1Å; V26-C47 HydrophobicContact CG1-CB 3.87Å; V26-P60 HydrophobicContact CG2-CB 4.21Å; V26-P60 HydrophobicContact CG2-CG 4.14Å
27C90.5Very high91.6Very high43 Ų4340.2 Ų40.229%0.29122%0.215SC..THydrogen-bonded Turntrans-121.43.9179.460.30000114.3C24 D29 R99C24-C27 VanDerWaalsContact CB-SG 3.59Å; C24-C27 PolarHBondContact O-N 2.98Å; C24-C27 VanDerWaalsContact SG-SG 3.68Å; C27-D29 VanDerWaalsContact C-N 3.29Å; C27-D29 PolarHBondContact O-N 3.05Å; C27-R99 PolarHBondContact SG-NH1 3.49Å; C27-R99 PolarHBondContact SG-NH2 3.02Å; C27-R99 VanDerWaalsContact SG-NH2 3.37Å
28L90.8Very high92.3Very high117 Ų11742.2 Ų42.261%0.61323%0.231SC*.THydrogen-bonded Turntrans54.738172.1-52.7-178.2000114.5C24C24-L28 WeakPolarHBondContact O-CA 3.11Å; C24-L28 PolarHBondContact O-N 2.88Å
29D90.9Very high92.6Very high16 Ų1639.7 Ų39.79%0.08622%0.216CC..EExtended strand (participates in β ladder)trans-158.4163.4-173.3-177.348.3000110.2C24 C27 R99 R110C24-D29 WeakPolarHBondContact CB-O 3.45Å; C24-D29 PolarHBondContact N-O 3.36Å; C27-D29 VanDerWaalsContact C-N 3.29Å; C27-D29 PolarHBondContact O-N 3.05Å; D29-R99 PolarHBondContact O-NH1 3.24Å; D29-R99 WeakPolarHBondContact OD2-CD 3.43Å; D29-R99 IonicContact OD2-CZ 3.22Å; D29-R99 IonicContact OD2-NE 2.61Å; D29-R99 PolarHBondContact OD2-NE 2.65Å; D29-R99 IonicContact OD2-NH1 3.2Å; D29-R99 PolarHBondContact OD2-NH1 2.84Å; D29-R99 IonicContact OD2-NH2 3.22Å; D29-R99 PolarHBondContact OD2-NH2 3.42Å; D29-R110 IonicContact OD1-NH2 2.71Å; D29-R110 PolarHBondContact OD1-NH2 3.25Å; D29-R110 VanDerWaalsContact OD1-NH2 3.08Å
30I92.7Very high93.1Very high1 Ų142.9 Ų42.91%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-52.7136.8-166.3-176.3161.1000114.7W19 C22 I32 I88 F92 Q95 C96 R99W19-I30 HydrophobicContact CH2-CB 3.86Å; W19-I30 HydrophobicContact CH2-CD1 4.44Å; W19-I30 HydrophobicContact CH2-CG2 4.24Å; W19-I30 HydrophobicContact CZ3-CB 3.97Å; W19-I30 HydrophobicContact CZ3-CD1 3.73Å; W19-I30 HydrophobicContact CZ3-CG1 4.33Å; C22-I30 WeakPolarHBondContact O-CA 3.42Å; I30-I32 PolarHBondContact O-N 2.92Å; I30-I88 HydrophobicContact CD1-CG2 3.73Å; I30-I88 HydrophobicContact CG1-CG2 3.9Å; I30-F92 HydrophobicContact CD1-CB 3.52Å; I30-F92 HydrophobicContact CD1-CG 4.26Å; I30-Q95 HydrophobicContact CD1-CB 4.04Å; I30-Q95 HydrophobicContact CG2-CB 4.36Å; I30-C96 VanDerWaalsContact CD1-SG 3.59Å; I30-R99 HydrophobicContact CG2-CB 4.21Å; I30-R99 WeakPolarHBondContact O-CD 3.49Å; I30-R99 PolarHBondContact O-NH1 3.18Å
31F95Very high93.6Very high10 Ų1041 Ų414%0.04423%0.233CC..  trans-54.3135.9177.8-71-66.2000112.8C22 L23 C24 P34 S42 W85 I88C22-F31 WeakPolarHBondContact O-CD2 3.42Å; C22-F31 PolarHBondContact O-N 3.41Å; L23-F31 WeakPolarHBondContact O-CE2 3.38Å; L23-F31 VanDerWaalsContact O-CZ 3.25Å; L23-F31 WeakPolarHBondContact O-CZ 3.28Å; C24-F31 VanDerWaalsContact CA-CE1 3.42Å; C24-F31 HydrophobicContact CB-CD1 3.7Å; C24-F31 HydrophobicContact CB-CE1 3.69Å; F31-P34 HydrophobicContact CB-CB 4.02Å; F31-P34 HydrophobicContact CB-CG 4.36Å; F31-P34 HydrophobicContact CD1-CB 4.23Å; F31-P34 HydrophobicContact CG-CB 4.1Å; F31-S42 VanDerWaalsContact CE1-C 3.46Å; F31-S42 WeakPolarHBondContact CE1-O 3.29Å; F31-W85 WeakPolarHBondContact O-CZ3 3.33Å; F31-I88 HydrophobicContact CB-CD1 3.86Å; F31-I88 HydrophobicContact CD2-CD1 3.62Å; F31-I88 HydrophobicContact CG-CD1 4.16Å
32I94.6Very high93.9Very high27 Ų2737.4 Ų37.414%0.13822%0.215CC..SBendtrans-121125.5164.9-59.5-62.8000108.1I30 C44 K45 W85 C96 R99 L100I30-I32 PolarHBondContact O-N 2.92Å; I32-C44 PolarHBondContact N-SG 2.71Å; I32-C44 VanDerWaalsContact N-SG 3.38Å; I32-C44 VanDerWaalsContact O-CA 3.32Å; I32-C44 WeakPolarHBondContact O-CA 3.48Å; I32-C44 WeakPolarHBondContact O-CB 3.44Å; I32-K45 PolarHBondContact O-N 3.33Å; I32-K45 VanDerWaalsContact O-N 3.16Å; I32-W85 HydrophobicContact CD1-CH2 3.76Å; I32-W85 HydrophobicContact CD1-CZ3 4.22Å; I32-W85 HydrophobicContact CG2-CH2 4.44Å; I32-C96 HydrophobicContact CD1-CB 4.49Å; I32-R99 HydrophobicContact CD1-CB 4.26Å; I32-R99 HydrophobicContact CD1-CG 4.22Å; I32-R99 HydrophobicContact CG1-CG 3.97Å; I32-L100 HydrophobicContact CD1-CD2 4.24Å; I32-L100 HydrophobicContact CD1-CG 4Å; I32-L100 HydrophobicContact CG2-CD2 3.81Å
33E95.3Very high94.1Very high67 Ų6737.4 Ų37.431%0.31322%0.215SC..SBendtrans45.461.6-173.4-66.3-168.582.300111.7V35 K45 V80E33-V35 PolarHBondContact O-N 3.2Å; E33-K45 HydrophobicContact CB-CB 3.72Å; E33-K45 HydrophobicContact CB-CD 3.81Å; E33-K45 HydrophobicContact CB-CG 4.48Å; E33-K45 HydrophobicContact CG-CD 4.24Å; E33-K45 WeakPolarHBondContact O-CB 3.5Å; E33-K45 PolarHBondContact O-N 2.63Å; E33-K45 WeakPolarHBondContact OE1-CD 3.22Å; E33-K45 IonicContact OE1-NZ 2.71Å; E33-K45 PolarHBondContact OE1-NZ 2.95Å; E33-K45 WeakPolarHBondContact OE2-CD 3.37Å; E33-K45 WeakPolarHBondContact OE2-CE 3.45Å; E33-K45 IonicContact OE2-NZ 3.7Å; E33-K45 PolarHBondContact OE2-NZ 3.3Å; E33-V80 HydrophobicContact CB-CG1 4.04Å; E33-V80 HydrophobicContact CB-CG2 3.85Å; E33-V80 HydrophobicContact CG-CG2 4.48Å
34P96.5Very high94.3Very high0 Ų035.5 Ų35.50%021%0.205CC..EExtended strand (participates in β ladder)trans-54.8127.7-173.420.1-33.4000113.3F31 F43 N81 L84 W85 I88F31-P34 HydrophobicContact CB-CB 4.02Å; F31-P34 HydrophobicContact CB-CG 4.36Å; F31-P34 HydrophobicContact CD1-CB 4.23Å; F31-P34 HydrophobicContact CG-CB 4.1Å; P34-F43 CarbonylContact C-O 3.58Å; P34-F43 WeakPolarHBondContact CA-O 3.4Å; P34-N81 PolarHBondContact O-N 3.1Å; P34-L84 HydrophobicContact CB-CD2 3.94Å; P34-L84 HydrophobicContact CB-CG 4.25Å; P34-L84 HydrophobicContact CG-CB 4.29Å; P34-L84 HydrophobicContact CG-CD2 4.28Å; P34-L84 HydrophobicContact CG-CG 4.03Å; P34-W85 VanDerWaalsContact CD-CE3 3.46Å; P34-W85 HydrophobicContact CG-CB 3.8Å; P34-W85 HydrophobicContact CG-CE3 4.31Å; P34-W85 HydrophobicContact CG-CG 4.48Å; P34-I88 HydrophobicContact CG-CD1 4.45Å
35V96.5Very high94.3Very high0 Ų038.7 Ų38.70%022%0.22CC..EExtended strand (participates in β ladder)trans-104.799.1176.8177.10000108.5E33 L37 S42 F43 K45 F48 W69 L79E33-V35 PolarHBondContact O-N 3.2Å; V35-L37 HydrophobicContact CG1-CD2 4.28Å; V35-S42 WeakPolarHBondContact O-CA 3.46Å; V35-F43 PolarHBondContact N-O 2.84Å; V35-F43 PolarHBondContact O-N 2.93Å; V35-K45 HydrophobicContact CG2-CB 3.99Å; V35-K45 HydrophobicContact CG2-CG 4.44Å; V35-F48 HydrophobicContact CB-CB 4.18Å; V35-F48 HydrophobicContact CB-CG 4.27Å; V35-F48 HydrophobicContact CG1-CB 4.23Å; V35-F48 HydrophobicContact CG1-CD1 4.25Å; V35-F48 HydrophobicContact CG1-CD2 3.74Å; V35-F48 HydrophobicContact CG1-CE2 4.19Å; V35-F48 HydrophobicContact CG1-CG 3.78Å; V35-F48 HydrophobicContact CG2-CB 4.3Å; V35-F48 HydrophobicContact CG2-CG 4.46Å; V35-W69 HydrophobicContact CG1-CH2 3.77Å; V35-W69 HydrophobicContact CG1-CZ3 4.09Å; V35-L79 HydrophobicContact CG1-CD1 3.9Å; V35-L79 HydrophobicContact CG1-CG 3.9Å; V35-L79 HydrophobicContact CG2-CD2 4.33Å; V35-L79 HydrophobicContact CG2-CG 3.94Å
36T96.3Very high94.4Very high37 Ų3738 Ų3823%0.22722%0.222CC..EExtended strand (participates in β ladder)trans-83.5117.2176.3-51.50000110.4S42 W69 N81T36-S42 PolarHBondContact OG1-OG 3.49Å; T36-W69 WeakPolarHBondContact O-CH2 3.46Å; T36-W69 VanDerWaalsContact O-CZ2 3.29Å; T36-W69 WeakPolarHBondContact O-CZ2 3.48Å; T36-N81 WeakPolarHBondContact OG1-CB 3.33Å; T36-N81 PolarHBondContact OG1-ND2 3.42Å
37L95.4Very high94.5Very high5 Ų535.8 Ų35.83%0.02621%0.209CC..  trans-76159.9178.5-59.3-173.7000111.8V35 C39 T40 H41 F43 F48 C59 V66 W69V35-L37 HydrophobicContact CG1-CD2 4.28Å; L37-C39 VanDerWaalsContact CB-SG 3.52Å; L37-C39 PolarHBondContact O-N 3.24Å; L37-T40 PolarHBondContact O-N 3.41Å; L37-H41 PolarHBondContact N-O 3Å; L37-F43 HydrophobicContact CD1-CD2 4.02Å; L37-F43 HydrophobicContact CD1-CE2 3.54Å; L37-F43 HydrophobicContact CG-CD2 4.08Å; L37-F43 HydrophobicContact CG-CE2 3.93Å; L37-F48 HydrophobicContact CD2-CD2 3.84Å; L37-F48 HydrophobicContact CD2-CE2 3.63Å; L37-C59 HydrophobicContact CD1-CB 3.65Å; L37-V66 HydrophobicContact CB-CG1 4.36Å; L37-V66 HydrophobicContact CD1-CG1 4.17Å; L37-V66 HydrophobicContact CD1-CG2 4.47Å; L37-V66 HydrophobicContact CD2-CG1 4.44Å; L37-V66 HydrophobicContact CD2-CG2 4.4Å; L37-W69 HydrophobicContact CD2-CE3 4.1Å; L37-W69 HydrophobicContact CD2-CH2 4Å; L37-W69 HydrophobicContact CD2-CZ3 3.45Å; L37-W69 VanDerWaalsContact CD2-CZ3 3.45Å
38P94.8Very high94.7Very high84 Ų8433.7 Ų33.755%0.54520%0.195SC..THydrogen-bonded Turntrans-58.9-8.7173.1-25.835.9000115.2W69P38-W69 HydrophobicContact CG-CB 3.9Å; P38-W69 HydrophobicContact CG-CD2 3.74Å; P38-W69 HydrophobicContact CG-CG 3.39Å
39C95.1Very high94.8Very high11 Ų1130.7 Ų30.77%0.07418%0.179CC..THydrogen-bonded Turntrans-98.522.7172.660.40000113.2L37 H41 C59 C62 K64L37-C39 VanDerWaalsContact CB-SG 3.52Å; L37-C39 PolarHBondContact O-N 3.24Å; C39-H41 PolarHBondContact O-N 3Å; C39-H41 PolarHBondContact O-ND1 3.47Å; C39-C59 VanDerWaalsContact SG-CB 3.59Å; C39-C59 VanDerWaalsContact SG-SG 3.6Å; C39-C62 VanDerWaalsContact SG-SG 3.66Å; C39-K64 HydrophobicContact CB-CB 4.27Å; C39-K64 HydrophobicContact CB-CD 3.61Å
40T94.2Very high94.7Very high125 Ų12535.7 Ų35.777%0.76720%0.202SC*.SBendtrans58.111.8177.467.80000116.9L37L37-T40 PolarHBondContact O-N 3.41Å
41H95.8Very high94.4Very high60 Ų6037.2 Ų37.228%0.27821%0.213SC..  trans-95.9135.4173.5-64.878.6000110L37 C39 F43 M61L37-H41 PolarHBondContact N-O 3Å; C39-H41 PolarHBondContact O-N 3Å; C39-H41 PolarHBondContact O-ND1 3.47Å; H41-F43 HydrophobicContact CB-CE2 3.69Å; H41-F43 HydrophobicContact CB-CZ 3.77Å; H41-M61 WeakPolarHBondContact CD2-CB 3.25Å
42S95.9Very high93.9Very high21 Ų2136.8 Ų36.815%0.14721%0.211CC..EExtended strand (participates in β ladder)trans-107.5148.7-180-65.10000112.1F31 V35 T36 L84F31-S42 VanDerWaalsContact CE1-C 3.46Å; F31-S42 WeakPolarHBondContact CE1-O 3.29Å; V35-S42 WeakPolarHBondContact O-CA 3.46Å; T36-S42 PolarHBondContact OG1-OG 3.49Å; S42-L84 WeakPolarHBondContact OG-CD2 3.43Å
43F96Very high93.3Very high0 Ų037.5 Ų37.50%022%0.215CC..EExtended strand (participates in β ladder)trans-144.6153.5179.8-54-83.7000109.5P25 V26 P34 V35 L37 H41 P60 M61P25-F43 HydrophobicContact CG-CD1 4.12Å; P25-F43 HydrophobicContact CG-CE1 3.81Å; V26-F43 HydrophobicContact CG2-CD1 3.59Å; V26-F43 HydrophobicContact CG2-CE1 3.88Å; P34-F43 CarbonylContact C-O 3.58Å; P34-F43 WeakPolarHBondContact CA-O 3.4Å; V35-F43 PolarHBondContact N-O 2.84Å; V35-F43 PolarHBondContact O-N 2.93Å; L37-F43 HydrophobicContact CD1-CD2 4.02Å; L37-F43 HydrophobicContact CD1-CE2 3.54Å; L37-F43 HydrophobicContact CG-CD2 4.08Å; L37-F43 HydrophobicContact CG-CE2 3.93Å; H41-F43 HydrophobicContact CB-CE2 3.69Å; H41-F43 HydrophobicContact CB-CZ 3.77Å; F43-P60 HydrophobicContact CD1-CG 4.38Å; F43-P60 HydrophobicContact CE1-CB 4.09Å; F43-P60 HydrophobicContact CE1-CG 3.88Å; F43-P60 HydrophobicContact CZ-CB 4.42Å; F43-P60 HydrophobicContact CZ-CG 4.16Å; F43-M61 HydrophobicContact CE1-CG 3.9Å; F43-M61 HydrophobicContact CZ-CB 4.47Å; F43-M61 HydrophobicContact CZ-CG 3.76Å
44C95.9Very high92.8Very high7 Ų741.9 Ų41.95%0.04723%0.233CC..EExtended strand (participates in β ladder)trans-59.7146.8167.7-56.40000110.3C24 I32 G46 C47 F48C24-C44 WeakPolarHBondContact CB-SG 3.46Å; C24-C44 PolarHBondContact SG-N 3.39Å; C24-C44 VanDerWaalsContact SG-N 3.36Å; C24-C44 VanDerWaalsContact SG-SG 3.7Å; I32-C44 PolarHBondContact N-SG 2.71Å; I32-C44 VanDerWaalsContact N-SG 3.38Å; I32-C44 VanDerWaalsContact O-CA 3.32Å; I32-C44 WeakPolarHBondContact O-CA 3.48Å; I32-C44 WeakPolarHBondContact O-CB 3.44Å; C44-G46 VanDerWaalsContact C-N 3.28Å; C44-G46 PolarHBondContact O-N 2.99Å; C44-C47 HydrophobicContact CB-CB 4.23Å; C44-C47 PolarHBondContact O-N 3.3Å; C44-C47 VanDerWaalsContact O-N 3.14Å; C44-F48 PolarHBondContact O-N 2.66Å
45K94.9Very high92.3Very high68 Ų6845.3 Ų45.330%0.29626%0.261SS..Hα-helixtrans-53.3-41.9176.6-179.1-173.9176.6-173.40113.3I32 E33 V35 F48 L49 V80I32-K45 PolarHBondContact O-N 3.33Å; I32-K45 VanDerWaalsContact O-N 3.16Å; E33-K45 HydrophobicContact CB-CB 3.72Å; E33-K45 HydrophobicContact CB-CD 3.81Å; E33-K45 HydrophobicContact CB-CG 4.48Å; E33-K45 HydrophobicContact CG-CD 4.24Å; E33-K45 WeakPolarHBondContact O-CB 3.5Å; E33-K45 PolarHBondContact O-N 2.63Å; E33-K45 WeakPolarHBondContact OE1-CD 3.22Å; E33-K45 IonicContact OE1-NZ 2.71Å; E33-K45 PolarHBondContact OE1-NZ 2.95Å; E33-K45 WeakPolarHBondContact OE2-CD 3.37Å; E33-K45 WeakPolarHBondContact OE2-CE 3.45Å; E33-K45 IonicContact OE2-NZ 3.7Å; E33-K45 PolarHBondContact OE2-NZ 3.3Å; V35-K45 HydrophobicContact CG2-CB 3.99Å; V35-K45 HydrophobicContact CG2-CG 4.44Å; K45-F48 PolarHBondContact O-N 2.69Å; K45-L49 HydrophobicContact CG-CD1 4.15Å; K45-L49 WeakPolarHBondContact O-CB 3.48Å; K45-L49 VanDerWaalsContact O-CG 3.27Å; K45-L49 WeakPolarHBondContact O-CG 3.15Å; K45-L49 PolarHBondContact O-N 2.88Å; K45-V80 HydrophobicContact CD-CG2 4.13Å
46G93.3Very high91.8Very high37 Ų3749.4 Ų49.438%0.38129%0.286SS..Hα-helixtrans-58.5-56.6173.500000112C44 F48 L49 E50C44-G46 VanDerWaalsContact C-N 3.28Å; C44-G46 PolarHBondContact O-N 2.99Å; G46-F48 VanDerWaalsContact C-N 3.26Å; G46-F48 PolarHBondContact O-N 3.36Å; G46-L49 PolarHBondContact O-N 3.38Å; G46-E50 WeakPolarHBondContact O-CG 3.39Å; G46-E50 PolarHBondContact O-N 2.93Å
47C94.2Very high91.5Very high15 Ų1550 Ų5010%0.10129%0.288CS..Hα-helixtrans-56.5-37.1177.5-56.80000113.1V26 C44 S51V26-C47 HydrophobicContact CB-CB 4.1Å; V26-C47 HydrophobicContact CG1-CB 3.87Å; C44-C47 HydrophobicContact CB-CB 4.23Å; C44-C47 PolarHBondContact O-N 3.3Å; C44-C47 VanDerWaalsContact O-N 3.14Å; C47-S51 WeakPolarHBondContact O-CB 3.29Å; C47-S51 PolarHBondContact O-N 2.96Å; C47-S51 PolarHBondContact O-OG 3.24Å
48F94.4Very high91.5Very high0 Ų051.3 Ų51.30%030%0.297CS..Hα-helixtrans-64.9-50.1173169.7-89.7000111.6V35 L37 C44 K45 G46 E50 V52 D53 W69 A70 L79V35-F48 HydrophobicContact CB-CB 4.18Å; V35-F48 HydrophobicContact CB-CG 4.27Å; V35-F48 HydrophobicContact CG1-CB 4.23Å; V35-F48 HydrophobicContact CG1-CD1 4.25Å; V35-F48 HydrophobicContact CG1-CD2 3.74Å; V35-F48 HydrophobicContact CG1-CE2 4.19Å; V35-F48 HydrophobicContact CG1-CG 3.78Å; V35-F48 HydrophobicContact CG2-CB 4.3Å; V35-F48 HydrophobicContact CG2-CG 4.46Å; L37-F48 HydrophobicContact CD2-CD2 3.84Å; L37-F48 HydrophobicContact CD2-CE2 3.63Å; C44-F48 PolarHBondContact O-N 2.66Å; K45-F48 PolarHBondContact O-N 2.69Å; G46-F48 VanDerWaalsContact C-N 3.26Å; G46-F48 PolarHBondContact O-N 3.36Å; F48-E50 PolarHBondContact O-N 2.97Å; F48-V52 HydrophobicContact CD2-CB 3.67Å; F48-V52 HydrophobicContact CD2-CG1 3.96Å; F48-V52 HydrophobicContact CD2-CG2 3.93Å; F48-V52 HydrophobicContact CE2-CB 3.75Å; F48-V52 HydrophobicContact CE2-CG1 3.55Å; F48-V52 HydrophobicContact CE2-CG2 4.39Å; F48-V52 HydrophobicContact CG-CB 4.33Å; F48-V52 HydrophobicContact CZ-CB 4.46Å; F48-V52 HydrophobicContact CZ-CG1 4.27Å; F48-V52 CarbonylContact O-C 3.58Å; F48-V52 WeakPolarHBondContact O-CA 3.36Å; F48-V52 VanDerWaalsContact O-CB 3.24Å; F48-V52 WeakPolarHBondContact O-CB 3.12Å; F48-V52 PolarHBondContact O-N 2.97Å; F48-D53 HydrophobicContact CD1-CB 4.45Å; F48-D53 HydrophobicContact CE1-CB 3.87Å; F48-D53 HydrophobicContact CZ-CB 4.32Å; F48-D53 PolarHBondContact O-N 3.34Å; F48-W69 HydrophobicContact CE2-CZ3 4.12Å; F48-W69 HydrophobicContact CZ-CZ3 4.29Å; F48-A70 HydrophobicContact CZ-CB 3.85Å; F48-L79 HydrophobicContact CD1-CD1 4.38Å; F48-L79 HydrophobicContact CD1-CD2 3.84Å; F48-L79 HydrophobicContact CD1-CG 4.47Å; F48-L79 HydrophobicContact CE1-CD1 3.79Å; F48-L79 HydrophobicContact CE1-CD2 3.74Å; F48-L79 HydrophobicContact CE1-CG 4.28Å; F48-L79 HydrophobicContact CZ-CD1 3.97Å
49L92.2Very high91.5Very high54 Ų5447.4 Ų47.428%0.28327%0.272SS..Iπ-helixtrans-62.1-31.7-179.7-70.8170.4000111.9K45 G46 D53 K54K45-L49 HydrophobicContact CG-CD1 4.15Å; K45-L49 WeakPolarHBondContact O-CB 3.48Å; K45-L49 VanDerWaalsContact O-CG 3.27Å; K45-L49 WeakPolarHBondContact O-CG 3.15Å; K45-L49 PolarHBondContact O-N 2.88Å; G46-L49 PolarHBondContact O-N 3.38Å; L49-D53 HydrophobicContact CD2-CB 4.2Å; L49-K54 WeakPolarHBondContact O-CB 3.32Å; L49-K54 VanDerWaalsContact O-CD 3.3Å; L49-K54 WeakPolarHBondContact O-CD 3.39Å; L49-K54 WeakPolarHBondContact O-CG 3.43Å; L49-K54 PolarHBondContact O-N 3.48Å; L49-K54 VanDerWaalsContact O-N 3.15Å
50E90.3Very high91.4Very high121 Ų12149.2 Ų49.257%0.56528%0.283SS*.Iπ-helixtrans-81.8-56.3179.2-71.6162.5-179.100113.4G46 F48G46-E50 WeakPolarHBondContact O-CG 3.39Å; G46-E50 PolarHBondContact O-N 2.93Å; F48-E50 PolarHBondContact O-N 2.97Å
51S85.4Confident91.4Very high33 Ų3348.2 Ų48.223%0.23127%0.271CS..Iπ-helixtrans-85.4-25.4-17367.60000114.3C47 T56C47-S51 WeakPolarHBondContact O-CB 3.29Å; C47-S51 PolarHBondContact O-N 2.96Å; C47-S51 PolarHBondContact O-OG 3.24Å; S51-T56 PolarHBondContact O-N 2.95Å; S51-T56 PolarHBondContact O-OG1 3.44Å
52V84.1Confident91.4Very high0 Ų047.3 Ų47.30%027%0.271CS..Iπ-helixtrans-108.1-58.3-174.6-170.50000111.4F48 L57 P60 V66F48-V52 HydrophobicContact CD2-CB 3.67Å; F48-V52 HydrophobicContact CD2-CG1 3.96Å; F48-V52 HydrophobicContact CD2-CG2 3.93Å; F48-V52 HydrophobicContact CE2-CB 3.75Å; F48-V52 HydrophobicContact CE2-CG1 3.55Å; F48-V52 HydrophobicContact CE2-CG2 4.39Å; F48-V52 HydrophobicContact CG-CB 4.33Å; F48-V52 HydrophobicContact CZ-CB 4.46Å; F48-V52 HydrophobicContact CZ-CG1 4.27Å; F48-V52 CarbonylContact O-C 3.58Å; F48-V52 WeakPolarHBondContact O-CA 3.36Å; F48-V52 VanDerWaalsContact O-CB 3.24Å; F48-V52 WeakPolarHBondContact O-CB 3.12Å; F48-V52 PolarHBondContact O-N 2.97Å; V52-L57 WeakPolarHBondContact O-CA 3.27Å; V52-L57 PolarHBondContact O-N 2.99Å; V52-P60 HydrophobicContact CG2-CG 3.98Å; V52-V66 HydrophobicContact CG1-CG2 3.48Å; V52-V66 VanDerWaalsContact CG1-CG2 3.48Å
53D82.9Confident91.3Very high42 Ų4256.4 Ų56.423%0.22530%0.302CS..Iπ-helixtrans-73-42.5-171.1-148.442.2000112.6F48 L49 L57F48-D53 HydrophobicContact CD1-CB 4.45Å; F48-D53 HydrophobicContact CE1-CB 3.87Å; F48-D53 HydrophobicContact CZ-CB 4.32Å; F48-D53 PolarHBondContact O-N 3.34Å; L49-D53 HydrophobicContact CD2-CB 4.2Å; D53-L57 WeakPolarHBondContact O-CD2 3.21Å
54K84.5Confident91.3Very high159 Ų15962.8 Ų62.869%0.69133%0.33SS*.Iπ-helixtrans-81.4-27.9178.7-70.7167.7-161.5167.80114.9L49L49-K54 WeakPolarHBondContact O-CB 3.32Å; L49-K54 VanDerWaalsContact O-CD 3.3Å; L49-K54 WeakPolarHBondContact O-CD 3.39Å; L49-K54 WeakPolarHBondContact O-CG 3.43Å; L49-K54 PolarHBondContact O-N 3.48Å; L49-K54 VanDerWaalsContact O-N 3.15Å
55A86.2Confident91.2Very high73 Ų7371 Ų7160%0.60336%0.36SS*.Iπ-helixtrans-112.9-73.8-167.400000114.3
56T86.1Confident91.2Very high85 Ų8568.2 Ų68.252%0.52135%0.349SS..Iπ-helixtrans-101-22.5-164.564.20000114.9S51 C58S51-T56 PolarHBondContact O-N 2.95Å; S51-T56 PolarHBondContact O-OG1 3.44Å; T56-C58 PolarHBondContact O-N 3.35Å; T56-C58 VanDerWaalsContact O-N 3.13Å; T56-C58 PolarHBondContact O-SG 2.86Å; T56-C58 PolarHBondContact OG1-N 3.04Å; T56-C58 PolarHBondContact OG1-O 2.7Å
57L91.1Very high91.2Very high50 Ų5066.6 Ų66.626%0.26233%0.331SS..SBendtrans51.125.4-168.2-62169.6000114.3V52 D53 V66 S67V52-L57 WeakPolarHBondContact O-CA 3.27Å; V52-L57 PolarHBondContact O-N 2.99Å; D53-L57 WeakPolarHBondContact O-CD2 3.21Å; L57-V66 PolarHBondContact O-N 2.93Å; L57-S67 PolarHBondContact O-N 3.33Å
58C94.6Very high91.1Very high32 Ų3269.1 Ų69.122%0.21635%0.349CS..BIsolated β-bridgetrans-132.2152.6-177.4-710000110.9T56 P60 K64T56-C58 PolarHBondContact O-N 3.35Å; T56-C58 VanDerWaalsContact O-N 3.13Å; T56-C58 PolarHBondContact O-SG 2.86Å; T56-C58 PolarHBondContact OG1-N 3.04Å; T56-C58 PolarHBondContact OG1-O 2.7Å; C58-P60 WeakPolarHBondContact O-CD 3.29Å; C58-K64 WeakPolarHBondContact CA-O 3.48Å
59C95.3Very high91.1Very high2 Ų271.3 Ų71.31%0.01436%0.358CS..  trans-63.2126.4174.2176.50000111L37 C39 M61 C62 R63 K64L37-C59 HydrophobicContact CD1-CB 3.65Å; C39-C59 VanDerWaalsContact SG-CB 3.59Å; C39-C59 VanDerWaalsContact SG-SG 3.6Å; C59-M61 VanDerWaalsContact C-N 3.28Å; C59-M61 PolarHBondContact O-N 3.02Å; C59-C62 VanDerWaalsContact SG-SG 3.62Å; C59-R63 WeakPolarHBondContact O-CA 3.32Å; C59-R63 PolarHBondContact O-N 3.31Å; C59-K64 PolarHBondContact N-O 2.93Å
60P92.9Very high91.1Very high49 Ų4968.8 Ų68.832%0.31834%0.344SS..THydrogen-bonded Turntrans-56.3-40177.2-28.135.9000113.4V26 F43 V52 C58V26-P60 HydrophobicContact CG2-CB 4.21Å; V26-P60 HydrophobicContact CG2-CG 4.14Å; F43-P60 HydrophobicContact CD1-CG 4.38Å; F43-P60 HydrophobicContact CE1-CB 4.09Å; F43-P60 HydrophobicContact CE1-CG 3.88Å; F43-P60 HydrophobicContact CZ-CB 4.42Å; F43-P60 HydrophobicContact CZ-CG 4.16Å; V52-P60 HydrophobicContact CG2-CG 3.98Å; C58-P60 WeakPolarHBondContact O-CD 3.29Å
61M93.7Very high91.2Very high104 Ų10470.2 Ų70.251%0.51235%0.345SS..THydrogen-bonded Turntrans-76-48.3-174.2-62.7-67.4-74.900113.1P25 H41 F43 C59P25-M61 HydrophobicContact CB-CE 4.21Å; P25-M61 HydrophobicContact CB-SD 3.76Å; P25-M61 HydrophobicContact CG-CG 4.2Å; P25-M61 HydrophobicContact CG-SD 3.97Å; H41-M61 WeakPolarHBondContact CD2-CB 3.25Å; F43-M61 HydrophobicContact CE1-CG 3.9Å; F43-M61 HydrophobicContact CZ-CB 4.47Å; F43-M61 HydrophobicContact CZ-CG 3.76Å; C59-M61 VanDerWaalsContact C-N 3.28Å; C59-M61 PolarHBondContact O-N 3.02Å
62C95.3Very high91.6Very high42 Ų4275.9 Ų75.928%0.28436%0.361SS..THydrogen-bonded Turntrans-120.17.6-17176.90000114.6C39 C59 K64C39-C62 VanDerWaalsContact SG-SG 3.66Å; C59-C62 VanDerWaalsContact SG-SG 3.62Å; C62-K64 PolarHBondContact O-N 3.1Å
63R94.1Very high92Very high212 Ų21277 Ų7780%0.837%0.367SS*.  trans55.96.3175.9-57.2178.8-175154.52.7116.7C59 R65C59-R63 WeakPolarHBondContact O-CA 3.32Å; C59-R63 PolarHBondContact O-N 3.31Å; R63-R65 PolarHBondContact O-N 3.12Å
64K95.1Very high92.3Very high133 Ų13378.5 Ų78.558%0.57838%0.375SS*.  trans-62131.5173.5-71.3176.3-179.1172.90109.9C39 C58 C59 C62C39-K64 HydrophobicContact CB-CB 4.27Å; C39-K64 HydrophobicContact CB-CD 3.61Å; C58-K64 WeakPolarHBondContact CA-O 3.48Å; C59-K64 PolarHBondContact N-O 2.93Å; C62-K64 PolarHBondContact O-N 3.1Å
65R95.1Very high92.6Very high180 Ų18080 Ų8068%0.67938%0.381SS*.BIsolated β-bridgetrans-73.7131.6-177.5-167.9178.6-171.3-133.34.1111.7R63 S67R63-R65 PolarHBondContact O-N 3.12Å; R65-S67 VanDerWaalsContact CZ-OG 3.25Å; R65-S67 PolarHBondContact NE-OG 3.08Å; R65-S67 PolarHBondContact NH1-OG 2.68Å
66V94.8Very high92.8Very high9 Ų983.5 Ų83.56%0.05538%0.383CS..  trans-121.51.3-176.3-64.30000114.5L37 V52 L57 S68 W69 A70L37-V66 HydrophobicContact CB-CG1 4.36Å; L37-V66 HydrophobicContact CD1-CG1 4.17Å; L37-V66 HydrophobicContact CD1-CG2 4.47Å; L37-V66 HydrophobicContact CD2-CG1 4.44Å; L37-V66 HydrophobicContact CD2-CG2 4.4Å; V52-V66 HydrophobicContact CG1-CG2 3.48Å; V52-V66 VanDerWaalsContact CG1-CG2 3.48Å; L57-V66 PolarHBondContact O-N 2.93Å; V66-S68 PolarHBondContact O-N 3.14Å; V66-W69 PolarHBondContact O-N 3.44Å; V66-A70 PolarHBondContact O-N 3.47Å
67S92.3Very high93Very high3 Ų386.5 Ų86.52%0.02140%0.396CS..Hα-helixtrans-43.6-35.7-176.663.20000117L57 R65 R71L57-S67 PolarHBondContact O-N 3.33Å; R65-S67 VanDerWaalsContact CZ-OG 3.25Å; R65-S67 PolarHBondContact NE-OG 3.08Å; R65-S67 PolarHBondContact NH1-OG 2.68Å; S67-R71 WeakPolarHBondContact O-CG 3.34Å; S67-R71 PolarHBondContact O-N 3.45Å; S67-R71 PolarHBondContact O-NE 3.44Å
68S93.1Very high93.1Very high68 Ų6887.7 Ų87.748%0.47641%0.405SS..Hα-helixtrans-91.2-20.5-176.8-59.80000113.2V66 R72V66-S68 PolarHBondContact O-N 3.14Å; S68-R72 WeakPolarHBondContact O-CB 3.41Å
69W94.8Very high93Very high47 Ų4787 Ų8718%0.17840%0.399CS..Hα-helixtrans-78.5-48.8167.4174.689.5000110.1V35 T36 L37 P38 F48 V66 R71 R72 N73 L79V35-W69 HydrophobicContact CG1-CH2 3.77Å; V35-W69 HydrophobicContact CG1-CZ3 4.09Å; T36-W69 WeakPolarHBondContact O-CH2 3.46Å; T36-W69 VanDerWaalsContact O-CZ2 3.29Å; T36-W69 WeakPolarHBondContact O-CZ2 3.48Å; L37-W69 HydrophobicContact CD2-CE3 4.1Å; L37-W69 HydrophobicContact CD2-CH2 4Å; L37-W69 HydrophobicContact CD2-CZ3 3.45Å; L37-W69 VanDerWaalsContact CD2-CZ3 3.45Å; P38-W69 HydrophobicContact CG-CB 3.9Å; P38-W69 HydrophobicContact CG-CD2 3.74Å; P38-W69 HydrophobicContact CG-CG 3.39Å; F48-W69 HydrophobicContact CE2-CZ3 4.12Å; F48-W69 HydrophobicContact CZ-CZ3 4.29Å; V66-W69 PolarHBondContact O-N 3.44Å; W69-R71 PolarHBondContact O-N 3.37Å; W69-R72 WeakPolarHBondContact O-CA 3.39Å; W69-R72 WeakPolarHBondContact O-CB 3.14Å; W69-R72 PolarHBondContact O-N 3Å; W69-N73 HydrophobicContact CZ2-CB 4.47Å; W69-N73 PolarHBondContact O-N 3.09Å; W69-N73 PolarHBondContact O-OD1 2.62Å; W69-L79 HydrophobicContact CH2-CD1 3.86Å; W69-L79 HydrophobicContact CZ3-CD1 3.75Å
70A92.5Very high93Very high0 Ų088.1 Ų88.10%041%0.406CS..Hα-helixtrans-50.1-56.9178.500000111.9F48 V66 R72 N73 N74F48-A70 HydrophobicContact CZ-CB 3.85Å; V66-A70 PolarHBondContact O-N 3.47Å; A70-R72 PolarHBondContact O-N 2.97Å; A70-N73 PolarHBondContact O-N 3.4Å; A70-N74 WeakPolarHBondContact O-CB 3.47Å; A70-N74 PolarHBondContact O-N 3.44Å
71R91.3Very high93.1Very high152 Ų15288.1 Ų88.157%0.57440%0.403SS*.Hα-helixtrans-62.8-24.9178.7-68.1179-64.4176.56.3114.3S67 W69 K75S67-R71 WeakPolarHBondContact O-CG 3.34Å; S67-R71 PolarHBondContact O-N 3.45Å; S67-R71 PolarHBondContact O-NE 3.44Å; W69-R71 PolarHBondContact O-N 3.37Å; R71-K75 WeakPolarHBondContact O-CB 3.27Å; R71-K75 WeakPolarHBondContact O-CG 3.41Å; R71-K75 PolarHBondContact O-N 3.09Å
72R93.3Very high93.2Very high152 Ų15288.4 Ų88.457%0.57441%0.407SS*.Hα-helixtrans-79.5-48.2176.4-176.7-168.7-66.9146.6-4.9111S68 W69 A70 K75 K76S68-R72 WeakPolarHBondContact O-CB 3.41Å; W69-R72 WeakPolarHBondContact O-CA 3.39Å; W69-R72 WeakPolarHBondContact O-CB 3.14Å; W69-R72 PolarHBondContact O-N 3Å; A70-R72 PolarHBondContact O-N 2.97Å; R72-K75 PolarHBondContact O-N 3.33Å; R72-K76 WeakPolarHBondContact O-CG 3.49Å; R72-K76 PolarHBondContact O-N 3.29Å; R72-K76 VanDerWaalsContact O-N 3.14Å
73N92.6Very high93.1Very high24 Ų2494 Ų9413%0.12843%0.429CS..Hα-helixtrans-75-32.4-176.4-77.751.2000111.8W69 A70 K76 N77 T78 L79W69-N73 HydrophobicContact CZ2-CB 4.47Å; W69-N73 PolarHBondContact O-N 3.09Å; W69-N73 PolarHBondContact O-OD1 2.62Å; A70-N73 PolarHBondContact O-N 3.4Å; N73-K76 CarbonylContact O-C 3.57Å; N73-K76 PolarHBondContact O-N 2.87Å; N73-N77 CarbonylContact O-C 3.57Å; N73-N77 PolarHBondContact O-N 3.33Å; N73-T78 PolarHBondContact ND2-O 3.39Å; N73-T78 PolarHBondContact ND2-OG1 2.98Å; N73-T78 PolarHBondContact O-N 3.42Å; N73-L79 HydrophobicContact CB-CD1 4.24Å
74N89.1Confident93.1Very high72 Ų7285.6 Ų85.639%0.38540%0.399SS..Hα-helixtrans-59.2-54.4167.9-173-32.8000110.3A70 K76 N77A70-N74 WeakPolarHBondContact O-CB 3.47Å; A70-N74 PolarHBondContact O-N 3.44Å; N74-K76 PolarHBondContact O-N 3.04Å; N74-N77 PolarHBondContact O-N 3.36Å; N74-N77 PolarHBondContact O-OD1 2.97Å
75K91.2Very high93.1Very high190 Ų19080.6 Ų80.683%0.82638%0.377SS*.Hα-helixtrans-58.2-22.6174.7-82.8-166174.3-1660115.7R71 R72R71-K75 WeakPolarHBondContact O-CB 3.27Å; R71-K75 WeakPolarHBondContact O-CG 3.41Å; R71-K75 PolarHBondContact O-N 3.09Å; R72-K75 PolarHBondContact O-N 3.33Å
76K91.1Very high93Very high147 Ų14776.5 Ų76.564%0.63937%0.368SS*.THydrogen-bonded Turntrans-98.1-3.8177.8-74.4-167.5171.5-160.70113.7R72 N73 N74 T78R72-K76 WeakPolarHBondContact O-CG 3.49Å; R72-K76 PolarHBondContact O-N 3.29Å; R72-K76 VanDerWaalsContact O-N 3.14Å; N73-K76 CarbonylContact O-C 3.57Å; N73-K76 PolarHBondContact O-N 2.87Å; N74-K76 PolarHBondContact O-N 3.04Å; K76-T78 HydrophobicContact CB-CG2 4.05Å; K76-T78 PolarHBondContact O-N 2.97Å; K76-T78 VanDerWaalsContact O-N 3.16Å
77N89.3Confident93Very high149 Ų14978.8 Ų78.880%0.79738%0.376SS*.THydrogen-bonded Turntrans55.118.5-166.9-58.7-40.5000114.6N73 N74 L79N73-N77 CarbonylContact O-C 3.57Å; N73-N77 PolarHBondContact O-N 3.33Å; N74-N77 PolarHBondContact O-N 3.36Å; N74-N77 PolarHBondContact O-OD1 2.97Å; N77-L79 VanDerWaalsContact C-N 3.34Å; N77-L79 PolarHBondContact O-N 3.44Å
78T93.2Very high92.9Very high75 Ų7578.7 Ų78.746%0.4638%0.375SS..  trans-98.639.8-180610000111.7N73 K76N73-T78 PolarHBondContact ND2-O 3.39Å; N73-T78 PolarHBondContact ND2-OG1 2.98Å; N73-T78 PolarHBondContact O-N 3.42Å; K76-T78 HydrophobicContact CB-CG2 4.05Å; K76-T78 PolarHBondContact O-N 2.97Å; K76-T78 VanDerWaalsContact O-N 3.16Å
79L93.3Very high92.9Very high16 Ų1679 Ų798%0.08437%0.369CS..  trans-84.6-34.5-177.1-169.968.4000112.2V35 F48 W69 N73 N77V35-L79 HydrophobicContact CG1-CD1 3.9Å; V35-L79 HydrophobicContact CG1-CG 3.9Å; V35-L79 HydrophobicContact CG2-CD2 4.33Å; V35-L79 HydrophobicContact CG2-CG 3.94Å; F48-L79 HydrophobicContact CD1-CD1 4.38Å; F48-L79 HydrophobicContact CD1-CD2 3.84Å; F48-L79 HydrophobicContact CD1-CG 4.47Å; F48-L79 HydrophobicContact CE1-CD1 3.79Å; F48-L79 HydrophobicContact CE1-CD2 3.74Å; F48-L79 HydrophobicContact CE1-CG 4.28Å; F48-L79 HydrophobicContact CZ-CD1 3.97Å; W69-L79 HydrophobicContact CH2-CD1 3.86Å; W69-L79 HydrophobicContact CZ3-CD1 3.75Å; N73-L79 HydrophobicContact CB-CD1 4.24Å; N77-L79 VanDerWaalsContact C-N 3.34Å; N77-L79 PolarHBondContact O-N 3.44Å
80V96Very high92.7Very high27 Ų2782 Ų8216%0.16439%0.392CS..SBendtrans-83.3133.4179.7-176.90000110E33 K45 L82 W85E33-V80 HydrophobicContact CB-CG1 4.04Å; E33-V80 HydrophobicContact CB-CG2 3.85Å; E33-V80 HydrophobicContact CG-CG2 4.48Å; K45-V80 HydrophobicContact CD-CG2 4.13Å; V80-L82 HydrophobicContact CB-CD2 4.41Å; V80-L82 HydrophobicContact CG1-CD2 4.11Å; V80-L82 PolarHBondContact O-N 2.91Å; V80-W85 HydrophobicContact CG1-CB 4.38Å
81N95Very high92.6Very high48 Ų4885.7 Ų85.726%0.25741%0.412SS..  trans-78.992.3167.9-178.1-10.4000108.7P34 T36 E83 L84 W85P34-N81 PolarHBondContact O-N 3.1Å; T36-N81 WeakPolarHBondContact OG1-CB 3.33Å; T36-N81 PolarHBondContact OG1-ND2 3.42Å; N81-E83 VanDerWaalsContact C-N 3.29Å; N81-E83 PolarHBondContact O-N 3.43Å; N81-E83 PolarHBondContact OD1-N 3.39Å; N81-L84 HydrophobicContact CB-CB 4.16Å; N81-L84 WeakPolarHBondContact ND2-CB 3.47Å; N81-L84 PolarHBondContact O-N 2.82Å; N81-L84 PolarHBondContact OD1-N 2.87Å; N81-L84 VanDerWaalsContact OD1-N 3.16Å; N81-W85 WeakPolarHBondContact O-CB 3.32Å; N81-W85 PolarHBondContact O-N 3.13Å
82L94.4Very high92.5Very high111 Ų11180 Ų8058%0.58139%0.391SS*.Hα-helixtrans-64.2-30.9-176.7-63.4176.4000113.2V80 W85 N86V80-L82 HydrophobicContact CB-CD2 4.41Å; V80-L82 HydrophobicContact CG1-CD2 4.11Å; V80-L82 PolarHBondContact O-N 2.91Å; L82-W85 PolarHBondContact O-N 2.98Å; L82-N86 WeakPolarHBondContact O-CB 3.29Å; L82-N86 PolarHBondContact O-N 2.99Å; L82-N86 PolarHBondContact O-ND2 3.46Å; L82-N86 PolarHBondContact O-OD1 2.89Å
83E94.3Very high92.4Very high160 Ų16076.3 Ų76.375%0.74839%0.387SS*.Hα-helixtrans-66-51.5177.5-177.8178.4-171.400110.7N81 W85 R87N81-E83 VanDerWaalsContact C-N 3.29Å; N81-E83 PolarHBondContact O-N 3.43Å; N81-E83 PolarHBondContact OD1-N 3.39Å; E83-W85 VanDerWaalsContact C-N 3.31Å; E83-W85 PolarHBondContact O-N 3.49Å; E83-R87 WeakPolarHBondContact O-CB 3.36Å; E83-R87 PolarHBondContact O-N 3.45Å; E83-R87 VanDerWaalsContact O-N 3.09Å
84L93.2Very high92.2Very high35 Ų3580 Ų8018%0.18341%0.407CS..Hα-helixtrans-62.7-38.3174.1-178.958.7000111.6L17 P34 S42 N81 R87 I88L17-L84 HydrophobicContact CD1-CD1 4.05Å; P34-L84 HydrophobicContact CB-CD2 3.94Å; P34-L84 HydrophobicContact CB-CG 4.25Å; P34-L84 HydrophobicContact CG-CB 4.29Å; P34-L84 HydrophobicContact CG-CD2 4.28Å; P34-L84 HydrophobicContact CG-CG 4.03Å; S42-L84 WeakPolarHBondContact OG-CD2 3.43Å; N81-L84 HydrophobicContact CB-CB 4.16Å; N81-L84 WeakPolarHBondContact ND2-CB 3.47Å; N81-L84 PolarHBondContact O-N 2.82Å; N81-L84 PolarHBondContact OD1-N 2.87Å; N81-L84 VanDerWaalsContact OD1-N 3.16Å; L84-R87 PolarHBondContact O-N 3.07Å; L84-I88 HydrophobicContact CD1-CD1 3.81Å; L84-I88 HydrophobicContact CD1-CG1 4.12Å; L84-I88 HydrophobicContact CG-CD1 3.87Å; L84-I88 WeakPolarHBondContact O-CB 3.38Å; L84-I88 VanDerWaalsContact O-CG1 3.23Å; L84-I88 WeakPolarHBondContact O-CG1 3.37Å; L84-I88 PolarHBondContact O-N 3.41Å
85W94.9Very high92Very high27 Ų2779.9 Ų79.910%0.10240%0.404CS..Hα-helixtrans-63.5-52.5179-175.1-138.6000112F31 I32 P34 V80 N81 L82 E83 R87 I88 Q89 C96F31-W85 WeakPolarHBondContact O-CZ3 3.33Å; I32-W85 HydrophobicContact CD1-CH2 3.76Å; I32-W85 HydrophobicContact CD1-CZ3 4.22Å; I32-W85 HydrophobicContact CG2-CH2 4.44Å; P34-W85 VanDerWaalsContact CD-CE3 3.46Å; P34-W85 HydrophobicContact CG-CB 3.8Å; P34-W85 HydrophobicContact CG-CE3 4.31Å; P34-W85 HydrophobicContact CG-CG 4.48Å; V80-W85 HydrophobicContact CG1-CB 4.38Å; N81-W85 WeakPolarHBondContact O-CB 3.32Å; N81-W85 PolarHBondContact O-N 3.13Å; L82-W85 PolarHBondContact O-N 2.98Å; E83-W85 VanDerWaalsContact C-N 3.31Å; E83-W85 PolarHBondContact O-N 3.49Å; W85-R87 VanDerWaalsContact C-N 3.27Å; W85-R87 PolarHBondContact O-N 2.89Å; W85-I88 HydrophobicContact CZ3-CG2 4.45Å; W85-I88 PolarHBondContact O-N 3.45Å; W85-Q89 HydrophobicContact CD2-CG 3.92Å; W85-Q89 VanDerWaalsContact CE2-CD 3.42Å; W85-Q89 HydrophobicContact CE3-CG 3.9Å; W85-Q89 HydrophobicContact CH2-CG 3.77Å; W85-Q89 HydrophobicContact CZ2-CG 3.8Å; W85-Q89 HydrophobicContact CZ3-CG 3.81Å; W85-Q89 WeakPolarHBondContact O-CG 3.42Å; W85-Q89 PolarHBondContact O-N 2.92Å; W85-C96 HydrophobicContact CH2-CB 4.3Å
86N94.3Very high91.9Very high94 Ų9471 Ų7150%0.50337%0.365SS..Hα-helixtrans-55.8-44.3177.2-69-12.6000111.1L82 I88 Q89 T90L82-N86 WeakPolarHBondContact O-CB 3.29Å; L82-N86 PolarHBondContact O-N 2.99Å; L82-N86 PolarHBondContact O-ND2 3.46Å; L82-N86 PolarHBondContact O-OD1 2.89Å; N86-I88 PolarHBondContact O-N 2.7Å; N86-Q89 PolarHBondContact O-N 3.08Å; N86-T90 PolarHBondContact O-N 3.14Å; N86-T90 PolarHBondContact O-OG1 3.21Å
87R93.4Very high91.8Very high58 Ų5869.3 Ų69.322%0.21936%0.36CS..Hα-helixtrans-66.4-35.3-178.3-161167-171.8-110.8-24.4113E14 L15 L17 E83 L84 W85 T90 L91E14-R87 IonicContact OE1-CZ 2.78Å; E14-R87 VanDerWaalsContact OE1-CZ 3.22Å; E14-R87 IonicContact OE1-NE 2.93Å; E14-R87 PolarHBondContact OE1-NE 3.47Å; E14-R87 IonicContact OE1-NH2 3.08Å; E14-R87 PolarHBondContact OE1-NH2 2.93Å; L15-R87 PolarHBondContact O-NH1 3.38Å; L15-R87 PolarHBondContact O-NH2 3.08Å; L17-R87 HydrophobicContact CD1-CG 4.29Å; E83-R87 WeakPolarHBondContact O-CB 3.36Å; E83-R87 PolarHBondContact O-N 3.45Å; E83-R87 VanDerWaalsContact O-N 3.09Å; L84-R87 PolarHBondContact O-N 3.07Å; W85-R87 VanDerWaalsContact C-N 3.27Å; W85-R87 PolarHBondContact O-N 2.89Å; R87-T90 WeakPolarHBondContact CA-OG1 3.32Å; R87-T90 PolarHBondContact O-OG1 2.81Å; R87-L91 HydrophobicContact CG-CD1 4.38Å; R87-L91 VanDerWaalsContact O-CG 3.27Å; R87-L91 WeakPolarHBondContact O-CG 3.49Å; R87-L91 PolarHBondContact O-N 3.44Å
88I91.9Very high91.7Very high0 Ų065.6 Ų65.60%034%0.335CS..Hα-helixtrans-70.3-41.7172.5-68.7174000110.6C22 I30 F31 P34 L84 W85 N86 T90 L91 F92C22-I88 HydrophobicContact CB-CD1 4.36Å; C22-I88 HydrophobicContact CB-CG1 4.31Å; C22-I88 HydrophobicContact CB-CG2 4.49Å; I30-I88 HydrophobicContact CD1-CG2 3.73Å; I30-I88 HydrophobicContact CG1-CG2 3.9Å; F31-I88 HydrophobicContact CB-CD1 3.86Å; F31-I88 HydrophobicContact CD2-CD1 3.62Å; F31-I88 HydrophobicContact CG-CD1 4.16Å; P34-I88 HydrophobicContact CG-CD1 4.45Å; L84-I88 HydrophobicContact CD1-CD1 3.81Å; L84-I88 HydrophobicContact CD1-CG1 4.12Å; L84-I88 HydrophobicContact CG-CD1 3.87Å; L84-I88 WeakPolarHBondContact O-CB 3.38Å; L84-I88 VanDerWaalsContact O-CG1 3.23Å; L84-I88 WeakPolarHBondContact O-CG1 3.37Å; L84-I88 PolarHBondContact O-N 3.41Å; W85-I88 HydrophobicContact CZ3-CG2 4.45Å; W85-I88 PolarHBondContact O-N 3.45Å; N86-I88 PolarHBondContact O-N 2.7Å; I88-T90 VanDerWaalsContact C-N 3.32Å; I88-T90 PolarHBondContact O-N 3.36Å; I88-L91 PolarHBondContact O-N 2.96Å; I88-F92 PolarHBondContact O-N 3.2Å
89Q91.9Very high91.4Very high76 Ų7664.7 Ų64.736%0.35532%0.323SS..Hα-helixtrans-64.9-31.5176.5-69.2-172.8-79.200113.2W85 N86 P93W85-Q89 HydrophobicContact CD2-CG 3.92Å; W85-Q89 VanDerWaalsContact CE2-CD 3.42Å; W85-Q89 HydrophobicContact CE3-CG 3.9Å; W85-Q89 HydrophobicContact CH2-CG 3.77Å; W85-Q89 HydrophobicContact CZ2-CG 3.8Å; W85-Q89 HydrophobicContact CZ3-CG 3.81Å; W85-Q89 WeakPolarHBondContact O-CG 3.42Å; W85-Q89 PolarHBondContact O-N 2.92Å; N86-Q89 PolarHBondContact O-N 3.08Å; Q89-P93 WeakPolarHBondContact O-CA 3.29Å; Q89-P93 WeakPolarHBondContact O-CB 3.44Å; Q89-P93 WeakPolarHBondContact O-CD 3.29Å
90T90.9Very high91Very high108 Ų10869 Ų6966%0.66335%0.346SS*.Hα-helixtrans-77.2-31.7175.850.20000113.3N86 R87 I88N86-T90 PolarHBondContact O-N 3.14Å; N86-T90 PolarHBondContact O-OG1 3.21Å; R87-T90 WeakPolarHBondContact CA-OG1 3.32Å; R87-T90 PolarHBondContact O-OG1 2.81Å; I88-T90 VanDerWaalsContact C-N 3.32Å; I88-T90 PolarHBondContact O-N 3.36Å
91L90.1Very high90.6Very high78 Ų7872.4 Ų72.441%0.40836%0.362SS..Hα-helixtrans-85.7-37-179.9-66.6172000113.1L17 R87 I88 P93L17-L91 HydrophobicContact CB-CD1 4.05Å; R87-L91 HydrophobicContact CG-CD1 4.38Å; R87-L91 VanDerWaalsContact O-CG 3.27Å; R87-L91 WeakPolarHBondContact O-CG 3.49Å; R87-L91 PolarHBondContact O-N 3.44Å; I88-L91 PolarHBondContact O-N 2.96Å; L91-P93 VanDerWaalsContact C-CD 3.42Å
92F90.3Very high89.8Confident32 Ų3272.9 Ų72.914%0.1438%0.379CS..SBendtrans-131.449.7-172.5-56-71.7000113.6W19 C22 I30 I88 L94 Q95 C96W19-F92 HydrophobicContact CB-CE1 4.16Å; W19-F92 HydrophobicContact CB-CZ 4.2Å; W19-F92 AromaticContact CE3-CD1 3.79Å; W19-F92 HydrophobicContact CE3-CD1 3.79Å; W19-F92 HydrophobicContact CE3-CE1 4.1Å; W19-F92 HydrophobicContact CE3-CG 4.08Å; W19-F92 HydrophobicContact CZ3-CB 4.44Å; W19-F92 HydrophobicContact CZ3-CD1 4.36Å; W19-F92 HydrophobicContact CZ3-CG 4.4Å; C22-F92 HydrophobicContact CB-CD2 4.19Å; C22-F92 HydrophobicContact CB-CE2 4.22Å; C22-F92 VanDerWaalsContact SG-CE2 3.51Å; I30-F92 HydrophobicContact CD1-CB 3.52Å; I30-F92 HydrophobicContact CD1-CG 4.26Å; I88-F92 PolarHBondContact O-N 3.2Å; F92-L94 PolarHBondContact O-N 3.24Å; F92-Q95 VanDerWaalsContact C-OE1 3.3Å; F92-Q95 HydrophobicContact CB-CB 4.39Å; F92-Q95 PolarHBondContact O-N 3.45Å; F92-Q95 PolarHBondContact O-OE1 3.43Å; F92-C96 PolarHBondContact O-N 2.85Å
93P89.8Confident88.5Confident76 Ų7672.7 Ų72.749%0.49438%0.375SS..Hα-helixtrans-60.2-41.3-172.122.2-32.8000113.5Q89 L91 Q95 C96 Q97Q89-P93 WeakPolarHBondContact O-CA 3.29Å; Q89-P93 WeakPolarHBondContact O-CB 3.44Å; Q89-P93 WeakPolarHBondContact O-CD 3.29Å; L91-P93 VanDerWaalsContact C-CD 3.42Å; P93-Q95 VanDerWaalsContact C-N 3.35Å; P93-Q95 PolarHBondContact O-N 3.23Å; P93-C96 PolarHBondContact O-N 3Å; P93-Q97 WeakPolarHBondContact O-CB 3.48Å; P93-Q97 PolarHBondContact O-N 3.45Å
94L87.8Confident86.8Confident102 Ų10270.6 Ų70.653%0.53437%0.369SS..Hα-helixtrans-66.4-37.9-178.2179.862000111.6F92 Q97 R98F92-L94 PolarHBondContact O-N 3.24Å; L94-Q97 PolarHBondContact O-N 3.27Å; L94-R98 WeakPolarHBondContact O-CG 3.36Å; L94-R98 PolarHBondContact O-N 2.95Å
95Q86.6Confident84.9Confident68 Ų6870.4 Ų70.432%0.31837%0.372SS..Hα-helixtrans-73-41179.6-61.388.9-24.400111W19 I30 F92 P93 Q97 R99W19-Q95 HydrophobicContact CE3-CG 4.43Å; W19-Q95 HydrophobicContact CH2-CB 3.79Å; W19-Q95 HydrophobicContact CH2-CG 3.78Å; W19-Q95 HydrophobicContact CZ3-CB 3.56Å; W19-Q95 HydrophobicContact CZ3-CG 3.52Å; I30-Q95 HydrophobicContact CD1-CB 4.04Å; I30-Q95 HydrophobicContact CG2-CB 4.36Å; F92-Q95 VanDerWaalsContact C-OE1 3.3Å; F92-Q95 HydrophobicContact CB-CB 4.39Å; F92-Q95 PolarHBondContact O-N 3.45Å; F92-Q95 PolarHBondContact O-OE1 3.43Å; P93-Q95 VanDerWaalsContact C-N 3.35Å; P93-Q95 PolarHBondContact O-N 3.23Å; Q95-Q97 VanDerWaalsContact C-N 3.29Å; Q95-Q97 PolarHBondContact O-N 2.75Å; Q95-R99 WeakPolarHBondContact O-CB 3.43Å; Q95-R99 PolarHBondContact O-N 2.92Å
96C88.4Confident82.8Confident4 Ų477.2 Ų77.23%0.02741%0.405CS..Hα-helixtrans-57.6-42.2167.8-69.70000111.8I30 I32 W85 F92 P93 L100I30-C96 VanDerWaalsContact CD1-SG 3.59Å; I32-C96 HydrophobicContact CD1-CB 4.49Å; W85-C96 HydrophobicContact CH2-CB 4.3Å; F92-C96 PolarHBondContact O-N 2.85Å; P93-C96 PolarHBondContact O-N 3Å; C96-L100 WeakPolarHBondContact O-CB 2.77Å; C96-L100 VanDerWaalsContact O-CG 3.27Å; C96-L100 WeakPolarHBondContact O-CG 3.28Å; C96-L100 PolarHBondContact O-N 3.31Å
97Q88.4Confident80.9Confident111 Ų11179.9 Ų79.952%0.51942%0.415SS..Hα-helixtrans-67.5-48.7179.7-171179.519.100112.5P93 L94 Q95 R99 L100 N101P93-Q97 WeakPolarHBondContact O-CB 3.48Å; P93-Q97 PolarHBondContact O-N 3.45Å; L94-Q97 PolarHBondContact O-N 3.27Å; Q95-Q97 VanDerWaalsContact C-N 3.29Å; Q95-Q97 PolarHBondContact O-N 2.75Å; Q97-R99 VanDerWaalsContact C-N 3.27Å; Q97-R99 PolarHBondContact O-N 2.87Å; Q97-L100 PolarHBondContact O-N 3.42Å; Q97-N101 WeakPolarHBondContact O-CB 3.36Å; Q97-N101 PolarHBondContact O-N 2.97Å
98R86.8Confident78.8Confident72 Ų7286.1 Ų86.127%0.27245%0.446SS..Hα-helixtrans-52.3-49174.3-77.4175.576.3154.65.9110.4L94 N101 G102 Q103 D109L94-R98 WeakPolarHBondContact O-CG 3.36Å; L94-R98 PolarHBondContact O-N 2.95Å; R98-N101 PolarHBondContact O-N 2.83Å; R98-G102 PolarHBondContact O-N 2.98Å; R98-Q103 HydrophobicContact CB-CB 4.23Å; R98-Q103 WeakPolarHBondContact O-CA 3.46Å; R98-Q103 WeakPolarHBondContact O-CB 3.43Å; R98-Q103 PolarHBondContact O-N 3.45Å; R98-D109 IonicContact CZ-OD2 3.37Å; R98-D109 IonicContact NH1-OD2 3.22Å; R98-D109 PolarHBondContact NH1-OD2 3.5Å; R98-D109 IonicContact NH2-OD2 2.91Å; R98-D109 PolarHBondContact NH2-OD2 3.49Å
99R87Confident76.7Confident56 Ų5691 Ų9121%0.21147%0.472CS..Hα-helixtrans-64.6-41.9179.7-173.6169.7-166.9150.842.1113.5C27 D29 I30 I32 Q95 Q97 N101 G102C27-R99 PolarHBondContact SG-NH1 3.49Å; C27-R99 PolarHBondContact SG-NH2 3.02Å; C27-R99 VanDerWaalsContact SG-NH2 3.37Å; D29-R99 PolarHBondContact O-NH1 3.24Å; D29-R99 WeakPolarHBondContact OD2-CD 3.43Å; D29-R99 IonicContact OD2-CZ 3.22Å; D29-R99 IonicContact OD2-NE 2.61Å; D29-R99 PolarHBondContact OD2-NE 2.65Å; D29-R99 IonicContact OD2-NH1 3.2Å; D29-R99 PolarHBondContact OD2-NH1 2.84Å; D29-R99 IonicContact OD2-NH2 3.22Å; D29-R99 PolarHBondContact OD2-NH2 3.42Å; I30-R99 HydrophobicContact CG2-CB 4.21Å; I30-R99 WeakPolarHBondContact O-CD 3.49Å; I30-R99 PolarHBondContact O-NH1 3.18Å; I32-R99 HydrophobicContact CD1-CB 4.26Å; I32-R99 HydrophobicContact CD1-CG 4.22Å; I32-R99 HydrophobicContact CG1-CG 3.97Å; Q95-R99 WeakPolarHBondContact O-CB 3.43Å; Q95-R99 PolarHBondContact O-N 2.92Å; Q97-R99 VanDerWaalsContact C-N 3.27Å; Q97-R99 PolarHBondContact O-N 2.87Å; R99-N101 VanDerWaalsContact C-N 3.27Å; R99-N101 PolarHBondContact O-N 3.41Å; R99-G102 PolarHBondContact O-N 3.1Å
100L86.6Confident74.8Confident107 Ų10793 Ų9356%0.5648%0.477SS*.Hα-helixtrans-65.5-30.9175.8-75.5169.2000112.8I32 C96 Q97 G102I32-L100 HydrophobicContact CD1-CD2 4.24Å; I32-L100 HydrophobicContact CD1-CG 4Å; I32-L100 HydrophobicContact CG2-CD2 3.81Å; C96-L100 WeakPolarHBondContact O-CB 2.77Å; C96-L100 VanDerWaalsContact O-CG 3.27Å; C96-L100 WeakPolarHBondContact O-CG 3.28Å; C96-L100 PolarHBondContact O-N 3.31Å; Q97-L100 PolarHBondContact O-N 3.42Å; L100-G102 VanDerWaalsContact C-N 3.26Å; L100-G102 PolarHBondContact O-N 2.93Å
101N85.8Confident73.1Confident97 Ų9795.8 Ų95.852%0.51949%0.486SS..THydrogen-bonded Turntrans-78.6-3.2176.1-68-10.8000113.7Q97 R98 R99 Q103Q97-N101 WeakPolarHBondContact O-CB 3.36Å; Q97-N101 PolarHBondContact O-N 2.97Å; R98-N101 PolarHBondContact O-N 2.83Å; R99-N101 VanDerWaalsContact C-N 3.27Å; R99-N101 PolarHBondContact O-N 3.41Å; N101-Q103 HydrophobicContact CB-CG 3.92Å; N101-Q103 PolarHBondContact ND2-OE1 2.61Å; N101-Q103 PolarHBondContact O-N 2.98Å
102G78.3Confident71.3Confident58 Ų5895.3 Ų95.360%0.59849%0.486SS*.THydrogen-bonded Turntrans69.416.8-170.700000113.9R98 R99 L100 D104R98-G102 PolarHBondContact O-N 2.98Å; R99-G102 PolarHBondContact O-N 3.1Å; L100-G102 VanDerWaalsContact C-N 3.26Å; L100-G102 PolarHBondContact O-N 2.93Å; G102-D104 PolarHBondContact O-N 3.13Å
103Q68.1Low69.5Low108 Ų10898.8 Ų98.851%0.50551%0.512SS..  trans-84.261.4173.3-60.8176.5-64.600109.6R98 N101 A105R98-Q103 HydrophobicContact CB-CB 4.23Å; R98-Q103 WeakPolarHBondContact O-CA 3.46Å; R98-Q103 WeakPolarHBondContact O-CB 3.43Å; R98-Q103 PolarHBondContact O-N 3.45Å; N101-Q103 HydrophobicContact CB-CG 3.92Å; N101-Q103 PolarHBondContact ND2-OE1 2.61Å; N101-Q103 PolarHBondContact O-N 2.98Å; Q103-A105 PolarHBondContact O-N 3.35Å
104D57.4Low67.8Low115 Ų115101.4 Ų101.462%0.61551%0.512SS*.  trans-52.2130162.3-74.1-31000107.6G102 E106G102-D104 PolarHBondContact O-N 3.13Å; D104-E106 PolarHBondContact O-N 2.98Å
105A53.8Low66.2Low31 Ų31104.1 Ų104.126%0.25652%0.524SS..  trans-70.2121.9-166.200000112.1Q103 E107Q103-A105 PolarHBondContact O-N 3.35Å; A105-E107 PolarHBondContact O-N 3.33Å
106E50.7Low65Low171 Ų171107.9 Ų107.980%0.79954%0.541SS*.  trans-42.8135.2150.8-64.8-68.2157.400108.8D104 E108D104-E106 PolarHBondContact O-N 2.98Å; E106-E108 PolarHBondContact O-N 2.92Å
107E54Low64.3Low149 Ų149113.1 Ų113.170%0.69658%0.575SS**G310 helixtrans-70.8-11.2-149.8-162.9156.1-166.900114.9A105 D109A105-E107 PolarHBondContact O-N 3.33Å; E107-D109 PolarHBondContact O-N 3Å
108E49.6Very low63.8Low189 Ų189116.7 Ų116.788%0.88358%0.583SS**G310 helixtrans-63-34-174.5-141.788.3-122.500115E106 R110E106-E108 PolarHBondContact O-N 2.92Å; E108-R110 PolarHBondContact O-N 3.45Å
109D47.8Very low63.6Low102 Ų102119.3 Ų119.355%0.54561%0.607SS.*G310 helixtrans-84.6-9.5-165.1-111.4-5.1000114.7R98 E107 I111R98-D109 IonicContact CZ-OD2 3.37Å; R98-D109 IonicContact NH1-OD2 3.22Å; R98-D109 PolarHBondContact NH1-OD2 3.5Å; R98-D109 IonicContact NH2-OD2 2.91Å; R98-D109 PolarHBondContact NH2-OD2 3.49Å; E107-D109 PolarHBondContact O-N 3Å; D109-I111 PolarHBondContact O-N 2.86Å
110R53.3Low63.5Low119 Ų119119.2 Ų119.245%0.44961%0.614SS.*  trans-85.381.4-172.6-81.3-178.7164.7159.8-4.5111.6D29 E108 V112D29-R110 IonicContact OD1-NH2 2.71Å; D29-R110 PolarHBondContact OD1-NH2 3.25Å; D29-R110 VanDerWaalsContact OD1-NH2 3.08Å; E108-R110 PolarHBondContact O-N 3.45Å; R110-V112 PolarHBondContact O-N 3.44Å
111I54.5Low63.6Low167 Ų167117.5 Ų117.586%0.85661%0.61SS**  trans-71.857.8168.9-42.5179000111.3D109D109-I111 PolarHBondContact O-N 2.86Å
112V53.2Low63.8Low67 Ų67119.8 Ų119.841%0.40663%0.63SS.*SBendtrans-133.9114.4164.3177.90000105.1R110 R114R110-V112 PolarHBondContact O-N 3.44Å; V112-R114 VanDerWaalsContact C-N 3.33Å; V112-R114 PolarHBondContact O-N 3.03Å
113P51.6Low64.3Low105 Ų105119 Ų11968%0.68262%0.621SS**  trans-59.296.1173.2-25.736.1000110M115P113-M115 HydrophobicContact CB-CE 3.73Å; P113-M115 PolarHBondContact O-N 3.41Å
114R55.1Low65.6Low132 Ų132116.4 Ų116.450%0.49861%0.609SS.*  trans-57.6106.1167.8-95.8-178.7150.1-162.9-5.6106.5V112 H116V112-R114 VanDerWaalsContact C-N 3.33Å; V112-R114 PolarHBondContact O-N 3.03Å; R114-H116 PolarHBondContact NH1-NE2 2.71Å; R114-H116 VanDerWaalsContact NH1-NE2 3.14Å; R114-H116 PolarHBondContact O-N 2.89Å; R114-H116 PolarHBondContact O-ND1 3.03Å
115M53.1Low67.3Low159 Ų159116.7 Ų116.778%0.78361%0.61SS**  trans-71.171.1166-68-65.5107.300108P113 P117P113-M115 HydrophobicContact CB-CE 3.73Å; P113-M115 PolarHBondContact O-N 3.41Å; M115-P117 WeakPolarHBondContact O-CD 3.34Å
116H62.5Low69.2Low147 Ų147122.8 Ų122.868%0.68163%0.627SS**  trans-55122.1166.3-64.698.5000107R114 R118R114-H116 PolarHBondContact NH1-NE2 2.71Å; R114-H116 VanDerWaalsContact NH1-NE2 3.14Å; R114-H116 PolarHBondContact O-N 2.89Å; R114-H116 PolarHBondContact O-ND1 3.03Å; H116-R118 PolarHBondContact O-N 3.42Å
117P72Confident71.3Confident113 Ų113120.5 Ų120.573%0.73462%0.616SS**  trans-55.1127.4178.3-26.435.2000109.8M115 V119M115-P117 WeakPolarHBondContact O-CD 3.34Å; P117-V119 VanDerWaalsContact C-N 3.3Å; P117-V119 PolarHBondContact O-N 2.86Å
118R78.9Confident73.4Confident186 Ų186118.3 Ų118.370%0.70261%0.606SS**  trans-66.491.6176.5-175.4-166.9-179.7-85.80.4108.8H116 E124H116-R118 PolarHBondContact O-N 3.42Å; R118-E124 IonicContact CZ-OE1 3.53Å; R118-E124 IonicContact CZ-OE2 3.02Å; R118-E124 IonicContact NH1-OE1 3.7Å; R118-E124 IonicContact NH1-OE2 2.77Å; R118-E124 PolarHBondContact NH1-OE2 3.48Å; R118-E124 IonicContact NH2-OE1 2.83Å; R118-E124 PolarHBondContact NH2-OE1 3.3Å; R118-E124 IonicContact NH2-OE2 3.19Å; R118-E124 PolarHBondContact NH2-OE2 3.4Å
119V82.6Confident75.6Confident127 Ų127116.6 Ų116.677%0.7759%0.592SS**PPolyproline II helixtrans-75.6131.1167.7-171.70000107.9P117P117-V119 VanDerWaalsContact C-N 3.3Å; P117-V119 PolarHBondContact O-N 2.86Å
120C84.2Confident78Confident54 Ų54115.9 Ų115.937%0.36559%0.586SS.*PPolyproline II helixtrans-55.2137.2171.8-63.90000110.8E124C120-E124 WeakPolarHBondContact CA-OE2 3.23Å; C120-E124 HydrophobicContact CB-CB 4.19Å; C120-E124 VanDerWaalsContact CB-OE2 3.25Å; C120-E124 WeakPolarHBondContact CB-OE2 3.37Å; C120-E124 PolarHBondContact SG-OE2 3.11Å
121P88.2Confident80.1Confident72 Ų72114.7 Ų114.747%0.46859%0.588SS.*PPolyproline II helixtrans-64.4153.4175.528.3-32.8000110.4G123 E124P121-G123 PolarHBondContact O-N 2.92Å; P121-E124 WeakPolarHBondContact CD-OE2 3.48Å; P121-E124 HydrophobicContact CG-CB 4.01Å; P121-E124 PolarHBondContact O-N 3.34Å; P121-E124 VanDerWaalsContact O-N 3.13Å
122P90.4Very high82.1Confident145 Ų145112.1 Ų112.194%0.94257%0.572SS**THydrogen-bonded Turntrans-57.5106.2-177-25.235000112.3
123G89.6Confident84.3Confident40 Ų40111.2 Ų111.241%0.41257%0.567SS.*THydrogen-bonded Turntrans121.8-25179.400000115.6P121 L125 R126 Q127P121-G123 PolarHBondContact O-N 2.92Å; G123-L125 PolarHBondContact O-N 2.88Å; G123-R126 WeakPolarHBondContact O-CA 3.36Å; G123-R126 WeakPolarHBondContact O-CB 3.47Å; G123-R126 PolarHBondContact O-N 3.27Å; G123-Q127 PolarHBondContact O-N 3.41Å
124E94.6Very high86.5Confident54 Ų54110 Ų11025%0.25256%0.557SS.*Hα-helixtrans-53.8-55.5-177.9-174.4177.3-104.400110.5R118 C120 P121 R126 Q127 E128R118-E124 IonicContact CZ-OE1 3.53Å; R118-E124 IonicContact CZ-OE2 3.02Å; R118-E124 IonicContact NH1-OE1 3.7Å; R118-E124 IonicContact NH1-OE2 2.77Å; R118-E124 PolarHBondContact NH1-OE2 3.48Å; R118-E124 IonicContact NH2-OE1 2.83Å; R118-E124 PolarHBondContact NH2-OE1 3.3Å; R118-E124 IonicContact NH2-OE2 3.19Å; R118-E124 PolarHBondContact NH2-OE2 3.4Å; C120-E124 WeakPolarHBondContact CA-OE2 3.23Å; C120-E124 HydrophobicContact CB-CB 4.19Å; C120-E124 VanDerWaalsContact CB-OE2 3.25Å; C120-E124 WeakPolarHBondContact CB-OE2 3.37Å; C120-E124 PolarHBondContact SG-OE2 3.11Å; P121-E124 WeakPolarHBondContact CD-OE2 3.48Å; P121-E124 HydrophobicContact CG-CB 4.01Å; P121-E124 PolarHBondContact O-N 3.34Å; P121-E124 VanDerWaalsContact O-N 3.13Å; E124-R126 VanDerWaalsContact C-N 3.26Å; E124-R126 PolarHBondContact O-N 2.9Å; E124-Q127 PolarHBondContact O-N 2.94Å; E124-Q127 VanDerWaalsContact O-N 3.15Å; E124-E128 WeakPolarHBondContact O-CG 3.49Å; E124-E128 PolarHBondContact O-N 3.26Å
125L92.9Very high88.5Confident121 Ų121109.2 Ų109.263%0.63456%0.558SS**Hα-helixtrans-63.7-23177-173.765000114.6G123 Y129G123-L125 PolarHBondContact O-N 2.88Å; L125-Y129 PolarHBondContact O-N 3.34Å
126R93.8Very high90.7Very high160 Ų160106.2 Ų106.260%0.60454%0.544SS*.Hα-helixtrans-73.7-47.6174166.4178.3-68.3-74.4-2110G123 E124 Y129 E130G123-R126 WeakPolarHBondContact O-CA 3.36Å; G123-R126 WeakPolarHBondContact O-CB 3.47Å; G123-R126 PolarHBondContact O-N 3.27Å; E124-R126 VanDerWaalsContact C-N 3.26Å; E124-R126 PolarHBondContact O-N 2.9Å; R126-Y129 PolarHBondContact O-N 3.5Å; R126-E130 VanDerWaalsContact CD-OE1 3.3Å; R126-E130 WeakPolarHBondContact CD-OE1 3.31Å; R126-E130 VanDerWaalsContact CG-CD 3.45Å; R126-E130 HydrophobicContact CG-CG 4.33Å; R126-E130 WeakPolarHBondContact CG-OE1 3.42Å; R126-E130 IonicContact CZ-OE1 3.53Å; R126-E130 IonicContact NE-OE1 2.72Å; R126-E130 IonicContact NH1-OE1 2.78Å; R126-E130 PolarHBondContact NH1-OE1 3.27Å; R126-E130 WeakPolarHBondContact O-CG 3.38Å; R126-E130 PolarHBondContact O-N 3.1Å
127Q96.4Very high92.3Very high123 Ų123104 Ų10458%0.57554%0.536SS*.Hα-helixtrans-61.9-46.4179.4-177.2177.5-12.300110.3G123 E124 Y129 E130 D131G123-Q127 PolarHBondContact O-N 3.41Å; E124-Q127 PolarHBondContact O-N 2.94Å; E124-Q127 VanDerWaalsContact O-N 3.15Å; Q127-Y129 VanDerWaalsContact C-N 3.28Å; Q127-Y129 PolarHBondContact O-N 2.94Å; Q127-E130 PolarHBondContact O-N 2.96Å; Q127-E130 VanDerWaalsContact O-N 3.13Å; Q127-D131 WeakPolarHBondContact CG-OD2 3.5Å; Q127-D131 WeakPolarHBondContact O-CB 3.41Å; Q127-D131 PolarHBondContact O-N 3.24Å
128E96.4Very high93.6Very high103 Ų103100.8 Ų100.848%0.48152%0.519SS..Hα-helixtrans-53.1-43.9174-70.9174.8173.800112.4E124 Q132E124-E128 WeakPolarHBondContact O-CG 3.49Å; E124-E128 PolarHBondContact O-N 3.26Å; E128-Q132 WeakPolarHBondContact O-CB 3.49Å; E128-Q132 PolarHBondContact O-N 2.93Å
129Y96.8Very high94.5Very high153 Ų15396.1 Ų96.160%0.651%0.505SS*.Hα-helixtrans-67.2-44.2176.4173.4-95.6000112.9L125 R126 Q127 Q132 V133L125-Y129 PolarHBondContact O-N 3.34Å; R126-Y129 PolarHBondContact O-N 3.5Å; Q127-Y129 VanDerWaalsContact C-N 3.28Å; Q127-Y129 PolarHBondContact O-N 2.94Å; Y129-Q132 PolarHBondContact O-N 3.37Å; Y129-V133 HydrophobicContact CD1-CG2 4.4Å; Y129-V133 HydrophobicContact CD2-CG2 4.32Å; Y129-V133 HydrophobicContact CE1-CG2 3.96Å; Y129-V133 HydrophobicContact CE2-CG2 3.88Å; Y129-V133 WeakPolarHBondContact O-CB 3.46Å; Y129-V133 VanDerWaalsContact O-CG2 3.3Å; Y129-V133 WeakPolarHBondContact O-CG2 3.43Å; Y129-V133 PolarHBondContact O-N 2.83Å
130E97.8Very high95.2Very high87 Ų8795 Ų9541%0.40749%0.486SS..Hα-helixtrans-68-36.3-179.2-72.3167.9-170.300111.5R126 Q127 T134R126-E130 VanDerWaalsContact CD-OE1 3.3Å; R126-E130 WeakPolarHBondContact CD-OE1 3.31Å; R126-E130 VanDerWaalsContact CG-CD 3.45Å; R126-E130 HydrophobicContact CG-CG 4.33Å; R126-E130 WeakPolarHBondContact CG-OE1 3.42Å; R126-E130 IonicContact CZ-OE1 3.53Å; R126-E130 IonicContact NE-OE1 2.72Å; R126-E130 IonicContact NH1-OE1 2.78Å; R126-E130 PolarHBondContact NH1-OE1 3.27Å; R126-E130 WeakPolarHBondContact O-CG 3.38Å; R126-E130 PolarHBondContact O-N 3.1Å; Q127-E130 PolarHBondContact O-N 2.96Å; Q127-E130 VanDerWaalsContact O-N 3.13Å; E130-T134 VanDerWaalsContact O-CB 3.31Å; E130-T134 WeakPolarHBondContact O-CB 3.36Å; E130-T134 PolarHBondContact O-N 2.92Å; E130-T134 PolarHBondContact O-OG1 3.32Å
131D97.8Very high95.8Very high93 Ų9399.1 Ų99.150%0.49750%0.495SS..Hα-helixtrans-67.7-45.1171.3-73.5-27.6000111.8Q127 V133 T134 K135Q127-D131 WeakPolarHBondContact CG-OD2 3.5Å; Q127-D131 WeakPolarHBondContact O-CB 3.41Å; Q127-D131 PolarHBondContact O-N 3.24Å; D131-V133 PolarHBondContact O-N 2.94Å; D131-T134 PolarHBondContact O-N 3.01Å; D131-K135 WeakPolarHBondContact O-CB 3.38Å; D131-K135 PolarHBondContact O-N 2.92Å
132Q97.3Very high96.3Very high113 Ų11397.8 Ų97.853%0.52849%0.489SS..Hα-helixtrans-61.4-42.2177.3-170.879.545.600111.8E128 Y129 L136E128-Q132 WeakPolarHBondContact O-CB 3.49Å; E128-Q132 PolarHBondContact O-N 2.93Å; Y129-Q132 PolarHBondContact O-N 3.37Å; Q132-L136 WeakPolarHBondContact O-CG 3.25Å; Q132-L136 PolarHBondContact O-N 2.78Å; Q132-L136 VanDerWaalsContact O-N 3.13Å
133V97.6Very high96.7Very high48 Ų4895.4 Ų95.429%0.29147%0.466SS..Hα-helixtrans-66.2-43.6174.91670000111Y129 D131 K135 L136 M137Y129-V133 HydrophobicContact CD1-CG2 4.4Å; Y129-V133 HydrophobicContact CD2-CG2 4.32Å; Y129-V133 HydrophobicContact CE1-CG2 3.96Å; Y129-V133 HydrophobicContact CE2-CG2 3.88Å; Y129-V133 WeakPolarHBondContact O-CB 3.46Å; Y129-V133 VanDerWaalsContact O-CG2 3.3Å; Y129-V133 WeakPolarHBondContact O-CG2 3.43Å; Y129-V133 PolarHBondContact O-N 2.83Å; D131-V133 PolarHBondContact O-N 2.94Å; V133-K135 VanDerWaalsContact C-N 3.33Å; V133-K135 PolarHBondContact O-N 3.15Å; V133-L136 PolarHBondContact O-N 2.92Å; V133-M137 HydrophobicContact CG1-CE 3.87Å; V133-M137 HydrophobicContact CG1-SD 4.25Å; V133-M137 WeakPolarHBondContact O-CG 3.42Å; V133-M137 PolarHBondContact O-N 3.39Å
134T98.2Very high97Very high79 Ų7996.9 Ų96.949%0.48546%0.464SS..Hα-helixtrans-61-41.7176.9-61.10000111.9E130 D131 M137 A138E130-T134 VanDerWaalsContact O-CB 3.31Å; E130-T134 WeakPolarHBondContact O-CB 3.36Å; E130-T134 PolarHBondContact O-N 2.92Å; E130-T134 PolarHBondContact O-OG1 3.32Å; D131-T134 PolarHBondContact O-N 3.01Å; T134-M137 PolarHBondContact O-N 3.13Å; T134-A138 PolarHBondContact O-N 2.96Å
135K98.3Very high97.2Very high117 Ų117100.3 Ų100.351%0.50948%0.48SS..Hα-helixtrans-60.2-51.6175.1177.6175.8170.8177.20112D131 V133 M137 A138 E139D131-K135 WeakPolarHBondContact O-CB 3.38Å; D131-K135 PolarHBondContact O-N 2.92Å; V133-K135 VanDerWaalsContact C-N 3.33Å; V133-K135 PolarHBondContact O-N 3.15Å; K135-M137 VanDerWaalsContact C-N 3.28Å; K135-M137 PolarHBondContact O-N 2.98Å; K135-A138 WeakPolarHBondContact O-CA 3.19Å; K135-A138 WeakPolarHBondContact O-CB 3.39Å; K135-A138 PolarHBondContact O-N 3.2Å; K135-E139 WeakPolarHBondContact CE-OE1 3.44Å; K135-E139 HydrophobicContact CG-CG 4.46Å; K135-E139 IonicContact NZ-OE1 3.93Å; K135-E139 PolarHBondContact O-N 2.72Å
136L97.7Very high97.4Very high95 Ų95101.2 Ų101.250%0.49748%0.481SS..Hα-helixtrans-61.1-36.7179.5-69.9168000112.2Q132 V133 A138 E139 R140Q132-L136 WeakPolarHBondContact O-CG 3.25Å; Q132-L136 PolarHBondContact O-N 2.78Å; Q132-L136 VanDerWaalsContact O-N 3.13Å; V133-L136 PolarHBondContact O-N 2.92Å; L136-A138 VanDerWaalsContact C-N 3.31Å; L136-A138 PolarHBondContact O-N 3.41Å; L136-E139 PolarHBondContact O-N 3.39Å; L136-R140 WeakPolarHBondContact O-CB 3.45Å; L136-R140 PolarHBondContact O-N 2.88Å
137M96.8Very high97.6Very high102 Ų10299 Ų9950%0.50248%0.478SS..Hα-helixtrans-72.8-18.6174-68-172.7-54.100114V133 T134 K135 R141V133-M137 HydrophobicContact CG1-CE 3.87Å; V133-M137 HydrophobicContact CG1-SD 4.25Å; V133-M137 WeakPolarHBondContact O-CG 3.42Å; V133-M137 PolarHBondContact O-N 3.39Å; T134-M137 PolarHBondContact O-N 3.13Å; K135-M137 VanDerWaalsContact C-N 3.28Å; K135-M137 PolarHBondContact O-N 2.98Å; M137-R141 WeakPolarHBondContact O-CG 3.43Å; M137-R141 PolarHBondContact O-NE 3.25Å
138A98.3Very high97.7Very high45 Ų4596 Ų9637%0.37247%0.47SS..Hα-helixtrans-82-45.2170.100000110.8T134 K135 L136 R140 R141 A142T134-A138 PolarHBondContact O-N 2.96Å; K135-A138 WeakPolarHBondContact O-CA 3.19Å; K135-A138 WeakPolarHBondContact O-CB 3.39Å; K135-A138 PolarHBondContact O-N 3.2Å; L136-A138 VanDerWaalsContact C-N 3.31Å; L136-A138 PolarHBondContact O-N 3.41Å; A138-R140 PolarHBondContact O-N 2.91Å; A138-R141 PolarHBondContact O-N 3.14Å; A138-A142 PolarHBondContact O-N 2.94Å
139E97.9Very high97.8Very high87 Ų8796.8 Ų96.841%0.40747%0.472SS..Hα-helixtrans-60.3-42.3177.4-70.1172.9161.400112K135 L136 A142 Q143K135-E139 WeakPolarHBondContact CE-OE1 3.44Å; K135-E139 HydrophobicContact CG-CG 4.46Å; K135-E139 IonicContact NZ-OE1 3.93Å; K135-E139 PolarHBondContact O-N 2.72Å; L136-E139 PolarHBondContact O-N 3.39Å; E139-A142 PolarHBondContact O-N 3.03Å; E139-Q143 WeakPolarHBondContact O-CG 3.45Å; E139-Q143 PolarHBondContact O-N 3.43Å
140R97.6Very high97.9Very high103 Ų10392.3 Ų92.339%0.38947%0.467SS..Hα-helixtrans-62.7-43.8175.2-171.874.8-84.8-84.410.8112.5L136 A138 Q143 D144 E147L136-R140 WeakPolarHBondContact O-CB 3.45Å; L136-R140 PolarHBondContact O-N 2.88Å; A138-R140 PolarHBondContact O-N 2.91Å; R140-Q143 WeakPolarHBondContact O-CB 3.41Å; R140-Q143 PolarHBondContact O-N 3.38Å; R140-D144 IonicContact CZ-OD1 3.44Å; R140-D144 IonicContact CZ-OD2 2.68Å; R140-D144 IonicContact NH1-OD1 3.63Å; R140-D144 PolarHBondContact NH1-OD1 3.08Å; R140-D144 IonicContact NH1-OD2 3.14Å; R140-D144 PolarHBondContact NH1-OD2 3.37Å; R140-D144 IonicContact NH2-OD1 2.62Å; R140-D144 PolarHBondContact O-N 3.13Å; R140-D144 VanDerWaalsContact O-OD2 3.09Å; R140-E147 IonicContact NH2-OE1 3.94Å; R140-E147 PolarHBondContact NH2-OE1 3.43Å; R140-E147 VanDerWaalsContact NH2-OE1 3.14Å
141R98.3Very high97.9Very high142 Ų14291.1 Ų91.154%0.53647%0.468SS..Hα-helixtrans-66.8-37.3178.6-77.1-177-66137.8-0.3112.7M137 A138 Q143 D144 E145M137-R141 WeakPolarHBondContact O-CG 3.43Å; M137-R141 PolarHBondContact O-NE 3.25Å; A138-R141 PolarHBondContact O-N 3.14Å; R141-Q143 VanDerWaalsContact C-N 3.3Å; R141-Q143 PolarHBondContact O-N 3.29Å; R141-D144 PolarHBondContact O-N 2.91Å; R141-E145 WeakPolarHBondContact O-CB 3.42Å; R141-E145 VanDerWaalsContact O-CG 3.28Å; R141-E145 WeakPolarHBondContact O-CG 3.3Å; R141-E145 PolarHBondContact O-N 2.98Å
142A98.5Very high97.9Very high43 Ų4391.4 Ų91.436%0.35547%0.466SS..Hα-helixtrans-60.5-41.2173.800000111.6A138 E139 E145 E146A138-A142 PolarHBondContact O-N 2.94Å; E139-A142 PolarHBondContact O-N 3.03Å; A142-E145 PolarHBondContact O-N 2.72Å; A142-E146 WeakPolarHBondContact O-CB 3.45Å; A142-E146 WeakPolarHBondContact O-CG 3.33Å; A142-E146 PolarHBondContact O-N 3.37Å
143Q97.4Very high98Very high96 Ų9689.6 Ų89.645%0.44946%0.458SS..Hα-helixtrans-62.6-47.4172.3-67172.8-15.200112E139 R140 R141 E145 E146 E147E139-Q143 WeakPolarHBondContact O-CG 3.45Å; E139-Q143 PolarHBondContact O-N 3.43Å; R140-Q143 WeakPolarHBondContact O-CB 3.41Å; R140-Q143 PolarHBondContact O-N 3.38Å; R141-Q143 VanDerWaalsContact C-N 3.3Å; R141-Q143 PolarHBondContact O-N 3.29Å; Q143-E145 VanDerWaalsContact C-N 3.28Å; Q143-E145 PolarHBondContact O-N 3.18Å; Q143-E146 PolarHBondContact O-N 3.2Å; Q143-E147 WeakPolarHBondContact O-CB 3.36Å; Q143-E147 VanDerWaalsContact O-CG 3.29Å; Q143-E147 WeakPolarHBondContact O-CG 3.49Å; Q143-E147 PolarHBondContact O-N 3.4Å
144D97.1Very high98Very high70 Ų7092 Ų9237%0.37447%0.469SS..Hα-helixtrans-61.9-35.2178.6-68.9-45.8000112.4R140 R141 S148R140-D144 IonicContact CZ-OD1 3.44Å; R140-D144 IonicContact CZ-OD2 2.68Å; R140-D144 IonicContact NH1-OD1 3.63Å; R140-D144 PolarHBondContact NH1-OD1 3.08Å; R140-D144 IonicContact NH1-OD2 3.14Å; R140-D144 PolarHBondContact NH1-OD2 3.37Å; R140-D144 IonicContact NH2-OD1 2.62Å; R140-D144 PolarHBondContact O-N 3.13Å; R140-D144 VanDerWaalsContact O-OD2 3.09Å; R141-D144 PolarHBondContact O-N 2.91Å; D144-S148 WeakPolarHBondContact O-CB 3.39Å; D144-S148 PolarHBondContact O-N 3.35Å
145E98.3Very high98Very high127 Ų12792.3 Ų92.359%0.59347%0.466SS*.Hα-helixtrans-71.3-39.7174.4-72.9168.4-154.300112.1R141 A142 Q143 K149R141-E145 WeakPolarHBondContact O-CB 3.42Å; R141-E145 VanDerWaalsContact O-CG 3.28Å; R141-E145 WeakPolarHBondContact O-CG 3.3Å; R141-E145 PolarHBondContact O-N 2.98Å; A142-E145 PolarHBondContact O-N 2.72Å; Q143-E145 VanDerWaalsContact C-N 3.28Å; Q143-E145 PolarHBondContact O-N 3.18Å; E145-K149 VanDerWaalsContact O-CB 3.29Å; E145-K149 WeakPolarHBondContact O-CB 3.36Å; E145-K149 PolarHBondContact O-N 3.12Å
146E97.9Very high98Very high140 Ų14092.7 Ų92.765%0.65447%0.47SS*.Hα-helixtrans-66.4-42.6173.2-75.9175-173.100112.1A142 Q143 K149 A150A142-E146 WeakPolarHBondContact O-CB 3.45Å; A142-E146 WeakPolarHBondContact O-CG 3.33Å; A142-E146 PolarHBondContact O-N 3.37Å; Q143-E146 PolarHBondContact O-N 3.2Å; E146-K149 PolarHBondContact O-N 3.18Å; E146-A150 WeakPolarHBondContact O-CB 3.44Å; E146-A150 PolarHBondContact O-N 3.02Å
147E97.4Very high98.1Very high114 Ų11494 Ų9453%0.53347%0.472SS..Hα-helixtrans-63.9-44.8175.2-73.2175.8-133.300111.3R140 Q143 A150 S151R140-E147 IonicContact NH2-OE1 3.94Å; R140-E147 PolarHBondContact NH2-OE1 3.43Å; R140-E147 VanDerWaalsContact NH2-OE1 3.14Å; Q143-E147 WeakPolarHBondContact O-CB 3.36Å; Q143-E147 VanDerWaalsContact O-CG 3.29Å; Q143-E147 WeakPolarHBondContact O-CG 3.49Å; Q143-E147 PolarHBondContact O-N 3.4Å; E147-A150 PolarHBondContact O-N 2.97Å; E147-S151 WeakPolarHBondContact O-CB 3.08Å; E147-S151 PolarHBondContact O-N 3.17Å
148S97.8Very high98.1Very high59 Ų5993.4 Ų93.441%0.41347%0.47SS..Hα-helixtrans-59.9-49.6174.2-166.80000111.1D144 A150 S151 E152D144-S148 WeakPolarHBondContact O-CB 3.39Å; D144-S148 PolarHBondContact O-N 3.35Å; S148-A150 PolarHBondContact O-N 3.33Å; S148-S151 WeakPolarHBondContact O-CB 3.37Å; S148-S151 PolarHBondContact O-N 3.21Å; S148-S151 VanDerWaalsContact O-N 3.13Å; S148-E152 WeakPolarHBondContact O-CG 3.41Å; S148-E152 PolarHBondContact O-N 3.28Å; S148-E152 PolarHBondContact OG-OE1 2.78Å
149K98.7Very high98.1Very high119 Ų11996.1 Ų96.152%0.51748%0.478SS..Hα-helixtrans-62.3-39.9-179.9-176175.1178.4-65.90112.5E145 E146 S151 E152 E153E145-K149 VanDerWaalsContact O-CB 3.29Å; E145-K149 WeakPolarHBondContact O-CB 3.36Å; E145-K149 PolarHBondContact O-N 3.12Å; E146-K149 PolarHBondContact O-N 3.18Å; K149-S151 VanDerWaalsContact C-N 3.35Å; K149-E152 PolarHBondContact O-N 2.78Å; K149-E153 IonicContact NZ-OE1 3.71Å; K149-E153 PolarHBondContact NZ-OE1 2.86Å; K149-E153 WeakPolarHBondContact O-CB 3.23Å; K149-E153 WeakPolarHBondContact O-CG 3.49Å; K149-E153 PolarHBondContact O-N 2.83Å
150A98.5Very high98.2Very high60 Ų6093.9 Ų93.950%0.49647%0.474SS..Hα-helixtrans-65.2-38.617500000112.1E146 E147 S148 L154E146-A150 WeakPolarHBondContact O-CB 3.44Å; E146-A150 PolarHBondContact O-N 3.02Å; E147-A150 PolarHBondContact O-N 2.97Å; S148-A150 PolarHBondContact O-N 3.33Å; A150-L154 WeakPolarHBondContact O-CB 3.37Å; A150-L154 PolarHBondContact O-N 3.1Å
151S98.1Very high98.2Very high62 Ų6294 Ų9443%0.43448%0.48SS..Hα-helixtrans-65.3-47.4174.2-171.60000112E147 S148 K149 E153 L154 I155E147-S151 WeakPolarHBondContact O-CB 3.08Å; E147-S151 PolarHBondContact O-N 3.17Å; S148-S151 WeakPolarHBondContact O-CB 3.37Å; S148-S151 PolarHBondContact O-N 3.21Å; S148-S151 VanDerWaalsContact O-N 3.13Å; K149-S151 VanDerWaalsContact C-N 3.35Å; S151-E153 PolarHBondContact O-N 3.19Å; S151-L154 WeakPolarHBondContact O-CB 3.31Å; S151-L154 PolarHBondContact O-N 3.49Å; S151-L154 VanDerWaalsContact O-N 3.09Å; S151-I155 VanDerWaalsContact O-CG1 3.29Å; S151-I155 WeakPolarHBondContact O-CG1 3.48Å; S151-I155 PolarHBondContact O-N 3.41Å
152E98.3Very high98.2Very high98 Ų9892.6 Ų92.646%0.45848%0.479SS..Hα-helixtrans-59.5-44.2176.3-71.7164.6-12700111.9S148 K149 L154 I155 Q156S148-E152 WeakPolarHBondContact O-CG 3.41Å; S148-E152 PolarHBondContact O-N 3.28Å; S148-E152 PolarHBondContact OG-OE1 2.78Å; K149-E152 PolarHBondContact O-N 2.78Å; E152-L154 VanDerWaalsContact C-N 3.31Å; E152-L154 PolarHBondContact O-N 3.29Å; E152-I155 PolarHBondContact O-N 3.49Å; E152-Q156 WeakPolarHBondContact O-CB 3.3Å; E152-Q156 VanDerWaalsContact O-CG 3.27Å; E152-Q156 WeakPolarHBondContact O-CG 3.41Å; E152-Q156 PolarHBondContact O-N 2.77Å
153E98.5Very high98.2Very high75 Ų7596.4 Ų96.435%0.3549%0.489SS..Hα-helixtrans-65.7-30.1174.5-79.7-172.9-147.300113.4K149 S151 K157K149-E153 IonicContact NZ-OE1 3.71Å; K149-E153 PolarHBondContact NZ-OE1 2.86Å; K149-E153 WeakPolarHBondContact O-CB 3.23Å; K149-E153 WeakPolarHBondContact O-CG 3.49Å; K149-E153 PolarHBondContact O-N 2.83Å; S151-E153 PolarHBondContact O-N 3.19Å; E153-K157 WeakPolarHBondContact O-CD 3.47Å; E153-K157 VanDerWaalsContact O-CE 3.27Å; E153-K157 WeakPolarHBondContact O-CE 3.43Å; E153-K157 WeakPolarHBondContact O-CG 3.37Å; E153-K157 PolarHBondContact O-N 3.26Å; E153-K157 PolarHBondContact O-NZ 2.77Å; E153-K157 IonicContact OE2-NZ 2.63Å; E153-K157 PolarHBondContact OE2-NZ 2.78Å
154L98.3Very high98.2Very high99 Ų9998 Ų9852%0.51850%0.496SS..Hα-helixtrans-73.6-45.8174.5177.860.2000111A150 S151 E152 Q156 K157 L158A150-L154 WeakPolarHBondContact O-CB 3.37Å; A150-L154 PolarHBondContact O-N 3.1Å; S151-L154 WeakPolarHBondContact O-CB 3.31Å; S151-L154 PolarHBondContact O-N 3.49Å; S151-L154 VanDerWaalsContact O-N 3.09Å; E152-L154 VanDerWaalsContact C-N 3.31Å; E152-L154 PolarHBondContact O-N 3.29Å; L154-Q156 VanDerWaalsContact C-N 3.31Å; L154-Q156 PolarHBondContact O-N 2.9Å; L154-K157 WeakPolarHBondContact O-CB 3.5Å; L154-K157 PolarHBondContact O-N 2.85Å; L154-K157 VanDerWaalsContact O-N 3.09Å; L154-L158 HydrophobicContact CD1-CD1 4.45Å; L154-L158 HydrophobicContact CD1-CG 4.41Å; L154-L158 HydrophobicContact CG-CD1 4.21Å; L154-L158 WeakPolarHBondContact O-CG 3.32Å; L154-L158 PolarHBondContact O-N 3.22Å
155I98.6Very high98.2Very high85 Ų85100 Ų10044%0.43650%0.504SS..Hα-helixtrans-58.7-43.4176.6-67.9162000110.5S151 E152 K157 L158 L159S151-I155 VanDerWaalsContact O-CG1 3.29Å; S151-I155 WeakPolarHBondContact O-CG1 3.48Å; S151-I155 PolarHBondContact O-N 3.41Å; E152-I155 PolarHBondContact O-N 3.49Å; I155-K157 VanDerWaalsContact C-N 3.32Å; I155-K157 PolarHBondContact O-N 2.88Å; I155-L158 PolarHBondContact O-N 2.8Å; I155-L159 HydrophobicContact CG2-CD1 3.83Å; I155-L159 HydrophobicContact CG2-CG 4.36Å; I155-L159 WeakPolarHBondContact O-CG 3.47Å; I155-L159 PolarHBondContact O-N 2.91Å
156Q98.5Very high98.2Very high126 Ų12699.1 Ų99.159%0.58950%0.503SS*.Hα-helixtrans-61.1-37.3175.5-73.6172.433.300112.9E152 L154 A160E152-Q156 WeakPolarHBondContact O-CB 3.3Å; E152-Q156 VanDerWaalsContact O-CG 3.27Å; E152-Q156 WeakPolarHBondContact O-CG 3.41Å; E152-Q156 PolarHBondContact O-N 2.77Å; L154-Q156 VanDerWaalsContact C-N 3.31Å; L154-Q156 PolarHBondContact O-N 2.9Å; Q156-A160 WeakPolarHBondContact O-CB 3.43Å; Q156-A160 PolarHBondContact O-N 3.48Å; Q156-A160 VanDerWaalsContact O-N 3.14Å
157K98.6Very high98.2Very high122 Ų12298 Ų9853%0.5350%0.497SS..Hα-helixtrans-68.7-44.6176.6-70.2157.9-164.91500111.3E153 L154 I155 A160 E161E153-K157 WeakPolarHBondContact O-CD 3.47Å; E153-K157 VanDerWaalsContact O-CE 3.27Å; E153-K157 WeakPolarHBondContact O-CE 3.43Å; E153-K157 WeakPolarHBondContact O-CG 3.37Å; E153-K157 PolarHBondContact O-N 3.26Å; E153-K157 PolarHBondContact O-NZ 2.77Å; E153-K157 IonicContact OE2-NZ 2.63Å; E153-K157 PolarHBondContact OE2-NZ 2.78Å; L154-K157 WeakPolarHBondContact O-CB 3.5Å; L154-K157 PolarHBondContact O-N 2.85Å; L154-K157 VanDerWaalsContact O-N 3.09Å; I155-K157 VanDerWaalsContact C-N 3.32Å; I155-K157 PolarHBondContact O-N 2.88Å; K157-A160 PolarHBondContact O-N 3.05Å; K157-E161 PolarHBondContact O-N 3.14Å
158L98.5Very high98.2Very high89 Ų8995.8 Ų95.847%0.46649%0.487SS..Hα-helixtrans-61.2-48.5177.6-68.5170.3000111.8L154 I155 A160 E161 E162L154-L158 HydrophobicContact CD1-CD1 4.45Å; L154-L158 HydrophobicContact CD1-CG 4.41Å; L154-L158 HydrophobicContact CG-CD1 4.21Å; L154-L158 WeakPolarHBondContact O-CG 3.32Å; L154-L158 PolarHBondContact O-N 3.22Å; I155-L158 PolarHBondContact O-N 2.8Å; L158-A160 VanDerWaalsContact C-N 3.28Å; L158-A160 PolarHBondContact O-N 2.81Å; L158-E161 PolarHBondContact O-N 3.45Å; L158-E161 VanDerWaalsContact O-N 3.1Å; L158-E162 WeakPolarHBondContact O-CG 3.37Å; L158-E162 PolarHBondContact O-N 3.1Å
159L98.3Very high98.1Very high102 Ų10297.3 Ų97.353%0.53449%0.488SS..Hα-helixtrans-62.1-34.4177.3-68.6170.5000112.7I155 Q163I155-L159 HydrophobicContact CG2-CD1 3.83Å; I155-L159 HydrophobicContact CG2-CG 4.36Å; I155-L159 WeakPolarHBondContact O-CG 3.47Å; I155-L159 PolarHBondContact O-N 2.91Å; L159-Q163 WeakPolarHBondContact O-CB 3.3Å; L159-Q163 PolarHBondContact O-N 2.8Å; L159-Q163 VanDerWaalsContact O-N 3.08Å
160A98.4Very high98.1Very high41 Ų4196.7 Ų96.734%0.33949%0.488SS..Hα-helixtrans-71.7-34.5174.600000112.4Q156 K157 L158 Q164Q156-A160 WeakPolarHBondContact O-CB 3.43Å; Q156-A160 PolarHBondContact O-N 3.48Å; Q156-A160 VanDerWaalsContact O-N 3.14Å; K157-A160 PolarHBondContact O-N 3.05Å; L158-A160 VanDerWaalsContact C-N 3.28Å; L158-A160 PolarHBondContact O-N 2.81Å; A160-Q164 WeakPolarHBondContact O-CG 3.22Å; A160-Q164 PolarHBondContact O-N 3.41Å; A160-Q164 VanDerWaalsContact O-N 3.12Å
161E98.3Very high98.1Very high106 Ų10699.5 Ų99.550%0.49549%0.486SS..Hα-helixtrans-69.4-47.6174.3-164.3-174.4144.600111.2K157 L158 Q163 Q164 Q165K157-E161 PolarHBondContact O-N 3.14Å; L158-E161 PolarHBondContact O-N 3.45Å; L158-E161 VanDerWaalsContact O-N 3.1Å; E161-Q163 VanDerWaalsContact C-N 3.26Å; E161-Q163 PolarHBondContact O-N 3.38Å; E161-Q164 WeakPolarHBondContact O-CB 3.43Å; E161-Q164 PolarHBondContact O-N 2.98Å; E161-Q165 WeakPolarHBondContact O-CG 3.42Å; E161-Q165 PolarHBondContact O-N 3.26Å; E161-Q165 PolarHBondContact OE1-NE2 3.23Å
162E97.9Very high98Very high111 Ų111103.8 Ų103.852%0.51949%0.492SS..Hα-helixtrans-54.2-43.3172.9-73179.7168.800111.4L158 Q164 Q165 L166L158-E162 WeakPolarHBondContact O-CG 3.37Å; L158-E162 PolarHBondContact O-N 3.1Å; E162-Q164 VanDerWaalsContact C-N 3.35Å; E162-Q164 PolarHBondContact O-N 2.92Å; E162-Q165 PolarHBondContact O-N 3.13Å; E162-L166 WeakPolarHBondContact O-CB 3.2Å; E162-L166 WeakPolarHBondContact O-CG 3.47Å; E162-L166 PolarHBondContact O-N 2.92Å
163Q98Very high98Very high123 Ų123103.8 Ų103.858%0.57549%0.491SS*.Hα-helixtrans-64.1-37176.3-176170.267.200112.7L159 E161 Q167L159-Q163 WeakPolarHBondContact O-CB 3.3Å; L159-Q163 PolarHBondContact O-N 2.8Å; L159-Q163 VanDerWaalsContact O-N 3.08Å; E161-Q163 VanDerWaalsContact C-N 3.26Å; E161-Q163 PolarHBondContact O-N 3.38Å; Q163-Q167 VanDerWaalsContact O-CG 3.29Å; Q163-Q167 WeakPolarHBondContact O-CG 3.37Å; Q163-Q167 PolarHBondContact O-N 3.25Å
164Q98.3Very high98Very high129 Ų129104.5 Ų104.560%0.60349%0.494SS*.Hα-helixtrans-69.4-41.7174.5-73173.635.900111.8A160 E161 E162 L166 Q167 E168A160-Q164 WeakPolarHBondContact O-CG 3.22Å; A160-Q164 PolarHBondContact O-N 3.41Å; A160-Q164 VanDerWaalsContact O-N 3.12Å; E161-Q164 WeakPolarHBondContact O-CB 3.43Å; E161-Q164 PolarHBondContact O-N 2.98Å; E162-Q164 VanDerWaalsContact C-N 3.35Å; E162-Q164 PolarHBondContact O-N 2.92Å; Q164-L166 VanDerWaalsContact C-N 3.35Å; Q164-L166 PolarHBondContact O-N 2.94Å; Q164-Q167 PolarHBondContact O-N 3.29Å; Q164-E168 PolarHBondContact O-N 2.92Å
165Q97.6Very high97.9Very high114 Ų114104.1 Ų104.153%0.53349%0.49SS..Hα-helixtrans-60.4-43.9175.5-67.5-179.821.100111.1E161 E162 E168 E169E161-Q165 WeakPolarHBondContact O-CG 3.42Å; E161-Q165 PolarHBondContact O-N 3.26Å; E161-Q165 PolarHBondContact OE1-NE2 3.23Å; E162-Q165 PolarHBondContact O-N 3.13Å; Q165-E168 PolarHBondContact O-N 3.24Å; Q165-E169 WeakPolarHBondContact O-CB 3.37Å; Q165-E169 PolarHBondContact O-N 3.24Å
166L97.8Very high97.8Very high108 Ų108105 Ų10557%0.56550%0.495SS*.Hα-helixtrans-64.3-38.7174.8-71.6169.1000112.9E162 Q164 M170E162-L166 WeakPolarHBondContact O-CB 3.2Å; E162-L166 WeakPolarHBondContact O-CG 3.47Å; E162-L166 PolarHBondContact O-N 2.92Å; Q164-L166 VanDerWaalsContact C-N 3.35Å; Q164-L166 PolarHBondContact O-N 2.94Å; L166-M170 WeakPolarHBondContact O-CB 3.42Å; L166-M170 VanDerWaalsContact O-CG 3.32Å; L166-M170 WeakPolarHBondContact O-CG 3.25Å; L166-M170 PolarHBondContact O-N 2.77Å
167Q97.2Very high97.8Very high116 Ų116103.7 Ų103.754%0.54249%0.489SS..Hα-helixtrans-65.6-40.8175.1-76.2174.611.300112Q163 Q164 M170 R171Q163-Q167 VanDerWaalsContact O-CG 3.29Å; Q163-Q167 WeakPolarHBondContact O-CG 3.37Å; Q163-Q167 PolarHBondContact O-N 3.25Å; Q164-Q167 PolarHBondContact O-N 3.29Å; Q167-M170 PolarHBondContact O-N 3.46Å; Q167-R171 PolarHBondContact O-N 2.77Å
168E97.3Very high97.7Very high68 Ų68104.4 Ų104.432%0.31849%0.489SS..Hα-helixtrans-70.3-37.8177.1-176.360-166.600112.2Q164 Q165 M170 R171 R172Q164-E168 PolarHBondContact O-N 2.92Å; Q165-E168 PolarHBondContact O-N 3.24Å; E168-M170 VanDerWaalsContact C-N 3.35Å; E168-R171 WeakPolarHBondContact O-CB 3.49Å; E168-R171 PolarHBondContact O-N 2.9Å; E168-R171 IonicContact OE1-NH1 3.58Å; E168-R171 PolarHBondContact OE1-NH1 3.49Å; E168-R171 IonicContact OE2-CZ 3.83Å; E168-R171 IonicContact OE2-NH1 2.71Å; E168-R171 PolarHBondContact OE2-NH1 2.94Å; E168-R172 WeakPolarHBondContact O-CG 3.32Å; E168-R172 PolarHBondContact O-N 2.78Å; E168-R172 IonicContact OE1-NE 3.6Å
169E97.3Very high97.7Very high91 Ų91104.8 Ų104.843%0.42549%0.49SS..Hα-helixtrans-63.7-41173.5-159.9-145.6-178.300111.3Q165 R172 K173Q165-E169 WeakPolarHBondContact O-CB 3.37Å; Q165-E169 PolarHBondContact O-N 3.24Å; E169-R172 PolarHBondContact O-N 2.85Å; E169-K173 VanDerWaalsContact O-CG 3.29Å; E169-K173 WeakPolarHBondContact O-CG 3.46Å; E169-K173 PolarHBondContact O-N 2.63Å; E169-K173 WeakPolarHBondContact OE1-CE 3.27Å; E169-K173 IonicContact OE1-NZ 2.72Å; E169-K173 PolarHBondContact OE1-NZ 3.26Å; E169-K173 IonicContact OE2-NZ 3.33Å; E169-K173 PolarHBondContact OE2-NZ 3.46Å
170M97.6Very high97.6Very high106 Ų106102.6 Ų102.652%0.52249%0.487SS..Hα-helixtrans-63.8-41.3172.8-76.8-60.8-56.700112.6L166 Q167 E168 K173 E174L166-M170 WeakPolarHBondContact O-CB 3.42Å; L166-M170 VanDerWaalsContact O-CG 3.32Å; L166-M170 WeakPolarHBondContact O-CG 3.25Å; L166-M170 PolarHBondContact O-N 2.77Å; Q167-M170 PolarHBondContact O-N 3.46Å; E168-M170 VanDerWaalsContact C-N 3.35Å; M170-K173 PolarHBondContact O-N 3.18Å; M170-K173 HydrophobicContact SD-CD 4.2Å; M170-E174 PolarHBondContact O-N 3.38Å
171R97.9Very high97.5Very high118 Ų118105.6 Ų105.645%0.44549%0.492SS..Hα-helixtrans-59-46.4173.1-81.9-171.358.4-121.8-16.8112.3Q167 E168 E174 E175Q167-R171 PolarHBondContact O-N 2.77Å; E168-R171 WeakPolarHBondContact O-CB 3.49Å; E168-R171 PolarHBondContact O-N 2.9Å; E168-R171 IonicContact OE1-NH1 3.58Å; E168-R171 PolarHBondContact OE1-NH1 3.49Å; E168-R171 IonicContact OE2-CZ 3.83Å; E168-R171 IonicContact OE2-NH1 2.71Å; E168-R171 PolarHBondContact OE2-NH1 2.94Å; R171-E174 WeakPolarHBondContact O-CB 3.49Å; R171-E174 PolarHBondContact O-N 3.21Å; R171-E175 IonicContact CZ-OE1 2.94Å; R171-E175 IonicContact NE-OE1 2.96Å; R171-E175 IonicContact NH2-OE1 3.87Å; R171-E175 PolarHBondContact NH2-OE1 3.47Å; R171-E175 IonicContact NH2-OE2 3.5Å; R171-E175 WeakPolarHBondContact O-CG 3.43Å; R171-E175 PolarHBondContact O-N 2.72Å
172R97.9Very high97.4Very high152 Ų152106 Ų10657%0.57450%0.498SS*.Hα-helixtrans-60.7-45.2177.1-71.8173.9-178.7-147.11.1111.4E168 E169 E174 E175 D176E168-R172 WeakPolarHBondContact O-CG 3.32Å; E168-R172 PolarHBondContact O-N 2.78Å; E168-R172 IonicContact OE1-NE 3.6Å; E169-R172 PolarHBondContact O-N 2.85Å; R172-E174 VanDerWaalsContact C-N 3.31Å; R172-E174 PolarHBondContact O-N 3.18Å; R172-E175 PolarHBondContact O-N 3.37Å; R172-E175 VanDerWaalsContact O-N 3.1Å; R172-D176 WeakPolarHBondContact O-CB 3.44Å; R172-D176 PolarHBondContact O-N 3.28Å
173K97.3Very high97.2Very high99 Ų99105 Ų10543%0.4350%0.495SS..Hα-helixtrans-57.5-40.7174.1-72.6164.9-179.4170.60112.4E169 M170 E177E169-K173 VanDerWaalsContact O-CG 3.29Å; E169-K173 WeakPolarHBondContact O-CG 3.46Å; E169-K173 PolarHBondContact O-N 2.63Å; E169-K173 WeakPolarHBondContact OE1-CE 3.27Å; E169-K173 IonicContact OE1-NZ 2.72Å; E169-K173 PolarHBondContact OE1-NZ 3.26Å; E169-K173 IonicContact OE2-NZ 3.33Å; E169-K173 PolarHBondContact OE2-NZ 3.46Å; M170-K173 PolarHBondContact O-N 3.18Å; M170-K173 HydrophobicContact SD-CD 4.2Å; K173-E177 VanDerWaalsContact O-CB 3.22Å; K173-E177 WeakPolarHBondContact O-CB 3.44Å; K173-E177 PolarHBondContact O-N 3.48Å
174E97.7Very high97.1Very high89 Ų89101.8 Ų101.842%0.41649%0.487SS..Hα-helixtrans-66.6-40173.5-76.6-168.4-141.100113.1M170 R171 R172 E177 R178M170-E174 PolarHBondContact O-N 3.38Å; R171-E174 WeakPolarHBondContact O-CB 3.49Å; R171-E174 PolarHBondContact O-N 3.21Å; R172-E174 VanDerWaalsContact C-N 3.31Å; R172-E174 PolarHBondContact O-N 3.18Å; E174-E177 PolarHBondContact O-N 3.03Å; E174-R178 WeakPolarHBondContact O-CB 3.4Å; E174-R178 VanDerWaalsContact O-CD 3.28Å; E174-R178 WeakPolarHBondContact O-CD 3.12Å; E174-R178 WeakPolarHBondContact O-CG 3.42Å; E174-R178 PolarHBondContact O-N 3.26Å; E174-R178 IonicContact OE2-CZ 3.66Å; E174-R178 IonicContact OE2-NH2 2.65Å; E174-R178 PolarHBondContact OE2-NH2 2.91Å
175E97Very high96.8Very high91 Ų91100.8 Ų100.843%0.42549%0.485SS..Hα-helixtrans-68.1-42.4179.3-72.8169.3-157.800111.4R171 R172 R178 L179R171-E175 IonicContact CZ-OE1 2.94Å; R171-E175 IonicContact NE-OE1 2.96Å; R171-E175 IonicContact NH2-OE1 3.87Å; R171-E175 PolarHBondContact NH2-OE1 3.47Å; R171-E175 IonicContact NH2-OE2 3.5Å; R171-E175 WeakPolarHBondContact O-CG 3.43Å; R171-E175 PolarHBondContact O-N 2.72Å; R172-E175 PolarHBondContact O-N 3.37Å; R172-E175 VanDerWaalsContact O-N 3.1Å; E175-R178 PolarHBondContact O-N 3.47Å; E175-L179 PolarHBondContact O-N 2.78Å
176D97.4Very high96.6Very high104 Ų104100.5 Ų100.556%0.55648%0.484SS*.Hα-helixtrans-64.4-42.1172.3-71.7-29.8000112.1R172 R178 L179 A180R172-D176 WeakPolarHBondContact O-CB 3.44Å; R172-D176 PolarHBondContact O-N 3.28Å; D176-R178 VanDerWaalsContact C-N 3.34Å; D176-R178 PolarHBondContact O-N 2.86Å; D176-L179 PolarHBondContact O-N 2.78Å; D176-A180 WeakPolarHBondContact O-CB 3.39Å; D176-A180 PolarHBondContact O-N 2.86Å
177E97.6Very high96.2Very high99 Ų99100.6 Ų100.646%0.46349%0.485SS..Hα-helixtrans-65.5-37.5177.8-162.7-144.2-171.700111.6K173 E174 K181K173-E177 VanDerWaalsContact O-CB 3.22Å; K173-E177 WeakPolarHBondContact O-CB 3.44Å; K173-E177 PolarHBondContact O-N 3.48Å; E174-E177 PolarHBondContact O-N 3.03Å; E177-K181 WeakPolarHBondContact O-CB 3.36Å; E177-K181 WeakPolarHBondContact O-CD 3.39Å; E177-K181 VanDerWaalsContact O-CG 3.25Å; E177-K181 WeakPolarHBondContact O-CG 3.33Å; E177-K181 PolarHBondContact O-N 3.35Å; E177-K181 WeakPolarHBondContact OE1-CE 3.5Å; E177-K181 IonicContact OE1-NZ 3.72Å; E177-K181 PolarHBondContact OE1-NZ 3.23Å; E177-K181 IonicContact OE2-NZ 3.78Å; E177-K181 PolarHBondContact OE2-NZ 2.92Å
178R97.4Very high95.5Very high137 Ų13799.1 Ų99.152%0.51748%0.48SS..Hα-helixtrans-64.7-43172.5-69.1161.6-164.5-174.45.6111.2E174 E175 D176 K181 L182E174-R178 WeakPolarHBondContact O-CB 3.4Å; E174-R178 VanDerWaalsContact O-CD 3.28Å; E174-R178 WeakPolarHBondContact O-CD 3.12Å; E174-R178 WeakPolarHBondContact O-CG 3.42Å; E174-R178 PolarHBondContact O-N 3.26Å; E174-R178 IonicContact OE2-CZ 3.66Å; E174-R178 IonicContact OE2-NH2 2.65Å; E174-R178 PolarHBondContact OE2-NH2 2.91Å; E175-R178 PolarHBondContact O-N 3.47Å; D176-R178 VanDerWaalsContact C-N 3.34Å; D176-R178 PolarHBondContact O-N 2.86Å; R178-K181 PolarHBondContact O-N 3.39Å; R178-L182 WeakPolarHBondContact O-CG 3.36Å; R178-L182 PolarHBondContact O-N 3.24Å
179L96.8Very high94.4Very high96 Ų9699.2 Ų99.250%0.50349%0.489SS..Hα-helixtrans-63-45.3176.2-178.360.8000111.6E175 D176 K181 L182 L183E175-L179 PolarHBondContact O-N 2.78Å; D176-L179 PolarHBondContact O-N 2.78Å; L179-K181 VanDerWaalsContact C-N 3.34Å; L179-K181 PolarHBondContact O-N 3.01Å; L179-L182 PolarHBondContact O-N 3.26Å; L179-L183 HydrophobicContact CD1-CD1 4.49Å; L179-L183 HydrophobicContact CG-CD1 4.2Å; L179-L183 WeakPolarHBondContact O-CG 3.5Å; L179-L183 PolarHBondContact O-N 3.01Å
180A96.8Very high92.6Very high56 Ų56100.8 Ų100.846%0.46350%0.496SS..Hα-helixtrans-61-39.617600000112.5D176 L183 S184D176-A180 WeakPolarHBondContact O-CB 3.39Å; D176-A180 PolarHBondContact O-N 2.86Å; A180-L183 PolarHBondContact O-N 3.11Å; A180-S184 VanDerWaalsContact O-CB 3.29Å; A180-S184 WeakPolarHBondContact O-CB 3.41Å; A180-S184 PolarHBondContact O-N 3.17Å
181K96.1Very high90.7Very high104 Ų104101 Ų10145%0.45250%0.499SS..Hα-helixtrans-63-41.3173.5-75.2165.1-178.8170.50112.2E177 R178 L179 N185E177-K181 WeakPolarHBondContact O-CB 3.36Å; E177-K181 WeakPolarHBondContact O-CD 3.39Å; E177-K181 VanDerWaalsContact O-CG 3.25Å; E177-K181 WeakPolarHBondContact O-CG 3.33Å; E177-K181 PolarHBondContact O-N 3.35Å; E177-K181 WeakPolarHBondContact OE1-CE 3.5Å; E177-K181 IonicContact OE1-NZ 3.72Å; E177-K181 PolarHBondContact OE1-NZ 3.23Å; E177-K181 IonicContact OE2-NZ 3.78Å; E177-K181 PolarHBondContact OE2-NZ 2.92Å; R178-K181 PolarHBondContact O-N 3.39Å; L179-K181 VanDerWaalsContact C-N 3.34Å; L179-K181 PolarHBondContact O-N 3.01Å; K181-N185 WeakPolarHBondContact O-CB 3.23Å; K181-N185 VanDerWaalsContact O-CG 3.23Å; K181-N185 PolarHBondContact O-N 3.29Å; K181-N185 PolarHBondContact O-ND2 3.34Å
182L96.4Very high88.4Confident115 Ų115101.8 Ų101.860%0.60251%0.512SS*.Hα-helixtrans-64.3-46.9175.9-70.6171.1000111.9R178 L179 N185 Q186R178-L182 WeakPolarHBondContact O-CG 3.36Å; R178-L182 PolarHBondContact O-N 3.24Å; L179-L182 PolarHBondContact O-N 3.26Å; L182-N185 PolarHBondContact O-N 3.27Å; L182-Q186 WeakPolarHBondContact O-CB 3.28Å; L182-Q186 PolarHBondContact O-N 2.87Å
183L94.6Very high86.2Confident89 Ų89102 Ų10247%0.46652%0.524SS..Hα-helixtrans-61.7-43.9177.2-69.3169.4000112L179 A180 Q186 L187L179-L183 HydrophobicContact CD1-CD1 4.49Å; L179-L183 HydrophobicContact CG-CD1 4.2Å; L179-L183 WeakPolarHBondContact O-CG 3.5Å; L179-L183 PolarHBondContact O-N 3.01Å; A180-L183 PolarHBondContact O-N 3.11Å; L183-Q186 PolarHBondContact O-N 2.91Å; L183-L187 WeakPolarHBondContact O-CG 3.45Å; L183-L187 PolarHBondContact O-N 3.05Å
184S94.3Very high83.9Confident57 Ų57107.9 Ų107.940%0.39954%0.543SS..Hα-helixtrans-60.4-46175.4-1780000111.9A180 Q186 L187 N188A180-S184 VanDerWaalsContact O-CB 3.29Å; A180-S184 WeakPolarHBondContact O-CB 3.41Å; A180-S184 PolarHBondContact O-N 3.17Å; S184-Q186 VanDerWaalsContact C-N 3.32Å; S184-Q186 PolarHBondContact O-N 2.89Å; S184-L187 PolarHBondContact O-N 2.92Å; S184-N188 WeakPolarHBondContact O-CB 3.45Å; S184-N188 VanDerWaalsContact O-CG 3.3Å; S184-N188 PolarHBondContact O-N 3.49Å; S184-N188 PolarHBondContact O-ND2 3.17Å; S184-N188 PolarHBondContact OG-ND2 3.06Å
185N92.1Very high81.6Confident107 Ų107109.3 Ų109.357%0.57256%0.558SS**Hα-helixtrans-61.7-39.6175.3-73.1-24.6000112.2K181 L182 S189K181-N185 WeakPolarHBondContact O-CB 3.23Å; K181-N185 VanDerWaalsContact O-CG 3.23Å; K181-N185 PolarHBondContact O-N 3.29Å; K181-N185 PolarHBondContact O-ND2 3.34Å; L182-N185 PolarHBondContact O-N 3.27Å; N185-S189 VanDerWaalsContact O-CB 3.29Å; N185-S189 WeakPolarHBondContact O-CB 3.23Å; N185-S189 PolarHBondContact O-N 3.06Å; N185-S189 PolarHBondContact O-OG 3.08Å
186Q93.1Very high79.4Confident109 Ų109110.9 Ų110.951%0.50958%0.576SS.*Hα-helixtrans-63-48.6177.5-172.9173.6-1.600111.6L182 L183 S184 S189 Q190L182-Q186 WeakPolarHBondContact O-CB 3.28Å; L182-Q186 PolarHBondContact O-N 2.87Å; L183-Q186 PolarHBondContact O-N 2.91Å; S184-Q186 VanDerWaalsContact C-N 3.32Å; S184-Q186 PolarHBondContact O-N 2.89Å; Q186-S189 PolarHBondContact O-N 3.32Å; Q186-S189 PolarHBondContact O-OG 3.22Å; Q186-Q190 PolarHBondContact O-N 3.22Å
187L90Very high76.8Confident110 Ų110112.9 Ų112.958%0.57659%0.587SS**Hα-helixtrans-60.4-52176.4-68.7169.2000111.6L183 S184 S189 Q190 D191L183-L187 WeakPolarHBondContact O-CG 3.45Å; L183-L187 PolarHBondContact O-N 3.05Å; S184-L187 PolarHBondContact O-N 2.92Å; L187-S189 PolarHBondContact O-N 2.86Å; L187-Q190 WeakPolarHBondContact O-CB 3.49Å; L187-Q190 PolarHBondContact O-N 3.2Å; L187-D191 PolarHBondContact O-N 3.47Å
188N82.8Confident74Confident85 Ų85114.4 Ų114.446%0.45560%0.602SS.*Hα-helixtrans-59.3-31.7178.4-71.3-47.9000112.6S184 N192S184-N188 WeakPolarHBondContact O-CB 3.45Å; S184-N188 VanDerWaalsContact O-CG 3.3Å; S184-N188 PolarHBondContact O-N 3.49Å; S184-N188 PolarHBondContact O-ND2 3.17Å; S184-N188 PolarHBondContact OG-ND2 3.06Å; N188-N192 PolarHBondContact O-N 3.44Å; N188-N192 PolarHBondContact O-ND2 3.43Å
189S73.5Confident71.1Confident70 Ų70112 Ų11249%0.4961%0.612SS.*Hα-helixtrans-73.4-25.7175.8750000113.8N185 Q186 L187N185-S189 VanDerWaalsContact O-CB 3.29Å; N185-S189 WeakPolarHBondContact O-CB 3.23Å; N185-S189 PolarHBondContact O-N 3.06Å; N185-S189 PolarHBondContact O-OG 3.08Å; Q186-S189 PolarHBondContact O-N 3.32Å; Q186-S189 PolarHBondContact O-OG 3.22Å; L187-S189 PolarHBondContact O-N 2.86Å
190Q61Low69.5Low124 Ų124113 Ų11358%0.57962%0.624SS**Hα-helixtrans-75.1-41174-70.4-176.8-800111.7Q186 L187 N192 L193Q186-Q190 PolarHBondContact O-N 3.22Å; L187-Q190 WeakPolarHBondContact O-CB 3.49Å; L187-Q190 PolarHBondContact O-N 3.2Å; Q190-N192 VanDerWaalsContact C-N 3.26Å; Q190-N192 PolarHBondContact O-N 3.27Å; Q190-L193 PolarHBondContact O-N 3.34Å; Q190-L193 VanDerWaalsContact O-N 3.15Å
191D56.1Low66.6Low111 Ų111117.2 Ų117.259%0.59464%0.644SS**Hα-helixtrans-65.6-27.2177.3-81.9-36.6000113.2L187 L193 R194L187-D191 PolarHBondContact O-N 3.47Å; D191-L193 PolarHBondContact O-N 3.2Å; D191-R194 PolarHBondContact O-N 3.06Å
192N51.4Low64.2Low133 Ų133121.4 Ų121.471%0.71166%0.662SS**THydrogen-bonded Turntrans-67.1-4.3174.6-86.3-89.5000114.3N188 Q190N188-N192 PolarHBondContact O-N 3.44Å; N188-N192 PolarHBondContact O-ND2 3.43Å; Q190-N192 VanDerWaalsContact C-N 3.26Å; Q190-N192 PolarHBondContact O-N 3.27Å
193L51.5Low61.6Low158 Ų158125.6 Ų125.683%0.82768%0.675SS**THydrogen-bonded Turntrans-96.49.4167.9-71.4170.2000113.5Q190 D191Q190-L193 PolarHBondContact O-N 3.34Å; Q190-L193 VanDerWaalsContact O-N 3.15Å; D191-L193 PolarHBondContact O-N 3.2Å
194R47.8Very low58.9Low222 Ų222131 Ų13184%0.83870%0.695SS**  trans-133.974.6177.7-79-170.2166-164.9-0.7114D191D191-R194 PolarHBondContact O-N 3.06Å
195V49Very low56.4Low119 Ų119137.8 Ų137.872%0.72172%0.717SS**  trans-135.6126.4161.9-168.20000107.8
196P50.9Low53.7Low124 Ų124141.5 Ų141.581%0.80573%0.731SS**  -138.8123.1103.625.9-6.7000115.6
197D42.8Very low51.1Low146 Ų146142 Ų14278%0.78174%0.741SS**  trans72.9171.3133.7-15214.7000121
198V39.3Very low48.8Very low130 Ų130143.3 Ų143.379%0.78875%0.754SS**  trans81.396.4177.1-1660000116.8
199A37.1Very low46.7Very low87 Ų87146.8 Ų146.872%0.71977%0.769SS**  trans-110.8175.1150.100000109
200P62.7Low45.4Very low118 Ų118146.5 Ų146.577%0.76678%0.778SS**  cis-128-174.1-8.742.1-28000112.4
201V35.7Very low45.2Very low143 Ų143148.2 Ų148.287%0.86779%0.785SS**  trans-167.9153.4135.5131.90000111.8
202K47.1Very low44.6Very low192 Ų192150.8 Ų150.884%0.83580%0.795SS**  trans-108.1137176.6-53169.6-176.7175.40110.4
203K40.8Very low44.3Very low203 Ų203150.9 Ų150.988%0.88380%0.796SS**  trans-173136.8138.9-104.4152.6-170.91780115.2
204K37.7Very low44.2Very low203 Ų203153.2 Ų153.288%0.88379%0.794SS**  trans14.9135153.3-64.9-174.8171.1-172.60121
205K41.5Very low44.2Very low199 Ų199151 Ų15187%0.86579%0.791SS**  trans-50.3144.9153.7-71.4179.8171.6-177.60111.8
206E35.9Very low43.7Very low185 Ų185153.9 Ų153.986%0.86480%0.801SS**  trans-120.9148.5149.1-171157.8-12500107.5
207V39.4Very low43Very low119 Ų119154.2 Ų154.272%0.72181%0.805SS**  trans-123.3109.9-175.1176.20000108.5
208V41.2Very low43.5Very low139 Ų139152.6 Ų152.684%0.84280%0.802SS**PPolyproline II helixtrans-96.6119.1167.7178.60000107.9
209M38.8Very low43Very low158 Ų158152 Ų15278%0.77880%0.803SS**PPolyproline II helixtrans-88133.5-172.5-171.2155.564.800110.4
210G45.3Very low43.2Very low64 Ų64153.5 Ų153.566%0.6681%0.805SS**PPolyproline II helixtrans-69.7142.6-17900000112.8M212G210-M212 PolarHBondContact O-N 3.4Å; G210-M212 VanDerWaalsContact O-N 3.11Å
211H56.2Low42.6Very low160 Ų160153.5 Ų153.574%0.74181%0.805SS**SBendtrans-57.4108.4-176.7176.522.2000113
212M43.7Very low42.9Very low164 Ų164153.1 Ų153.181%0.80881%0.805SS**  trans-131.6-1.8160.5-142.4172.976.100113.8G210 R214G210-M212 PolarHBondContact O-N 3.4Å; G210-M212 VanDerWaalsContact O-N 3.11Å; M212-R214 PolarHBondContact O-N 3.46Å
213D45.7Very low42.1Very low135 Ų135147.2 Ų147.272%0.72280%0.799SS**THydrogen-bonded Turntrans-67.870.7172.7-56.6-86.7000113.1
214R49.6Very low41.6Very low208 Ų208143.4 Ų143.479%0.78580%0.798SS**THydrogen-bonded Turntrans-131.3-8.3162.7-171.5159.9-179.6157.61.9113.3M212M212-R214 PolarHBondContact O-N 3.46Å
215F47.4Very low41.4Very low175 Ų175138.2 Ų138.277%0.76879%0.793SS**SBendtrans-133.3148.2173.6-61.6-83000109.4
216L39.6Very low41.7Very low180 Ų180134.9 Ų134.994%0.94279%0.792SS**  trans74.686.8-178.6-47.3-179.1000116.6
217C36Very low41.4Very low130 Ų130129.5 Ų129.588%0.87879%0.786SS**  trans-144.5139.4146.1-160.60000109
218P52.1Low41.1Very low112 Ų112133.4 Ų133.473%0.72779%0.794SS**  trans-119.5-173.7-15620.83.2000116.1
219C30.6Very low40.8Very low119 Ų119134.6 Ų134.680%0.80479%0.793SS**  trans86.9157.8167.4-57.40000117.7
220P41.3Very low40.5Very low118 Ų118132 Ų13277%0.76679%0.786SS**  cis-131.9-177.5-29.631.3-9.2000113.7
221P50Low39.8Very low118 Ų118135.7 Ų135.777%0.76679%0.791SS**  trans-91.9175.5-172.541.8-38.7000113
222P40.9Very low38.9Very low134 Ų134136.1 Ų136.187%0.8779%0.791SS**  cis-152.1-178.95044.3-23000119.2
223G30.5Very low38.6Very low69 Ų69136.6 Ų136.671%0.71179%0.791SS**  trans140.6111.2148.300000119.8
224S30.3Very low38.3Very low123 Ų123136.3 Ų136.386%0.8679%0.79SS**  trans40.7126.5149.960.30000123.4
225A32.6Very low37.7Very low93 Ų93133.1 Ų133.177%0.76979%0.786SS**  trans-72.4-172.8152.600000111.1
226P48.1Very low37.1Very low129 Ų129131 Ų13184%0.83878%0.782SS**  cis-139.5-174.47.844.5-26.1000116.1
227G30.4Very low36.8Very low72 Ų72127.9 Ų127.974%0.74277%0.766SS**  trans165119.3160.200000115.7
228F32Very low36.7Very low202 Ų202129 Ų12989%0.88676%0.76SS**  trans-70.8163.8158.8-74.6-104000109.4
229I35.6Very low35.8Very low163 Ų163130.2 Ų130.284%0.83676%0.756SS**  -162.6149.493.7-90.8155.4000110.7
230T32Very low35.9Very low103 Ų103129 Ų12963%0.63276%0.755SS**  trans-78.4166.2178.153.30000113.4
231N31.3Very low35.7Very low142 Ų142131.6 Ų131.676%0.75976%0.757SS**  trans170127.1130.7-82.4-5.5000107.1
232K36.9Very low34.5Very low170 Ų170133.5 Ų133.574%0.73976%0.76SS**  cis64.1124.240.8-133.7179.7-176.6-177.70109.6
233E38.7Very low34Very low174 Ų174135.2 Ų135.281%0.81376%0.756SS**  cis-138.5155.241.9-81.2161.5178.300111.4
234N38.6Very low35Very low129 Ų129136.5 Ų136.569%0.6975%0.752SS**  cis106160.630.7-166.728.8000112.1
235I37.3Very low34.8Very low140 Ų140138.6 Ų138.672%0.71875%0.748SS**  trans91.6125175.3-62.9175.9000115.7
236L34.3Very low34.7Very low130 Ų130140 Ų14068%0.68174%0.738SS**  cis-153141-13.3-98174000108.3
237L34.4Very low34.3Very low116 Ų116139.8 Ų139.861%0.60774%0.737SS**  58.3143.9104.7-111.668.2000116.7
238M33.2Very low34.4Very low152 Ų152146.3 Ų146.375%0.74974%0.739SS**  cis-135.2146.121-67.7-166.776.500111.1
239E32.2Very low34.7Very low139 Ų139142.1 Ų142.165%0.6573%0.732SS**  63.9111.465-65.9175.3164.500112.8
240A34Very low34.3Very low94 Ų94141.9 Ų141.978%0.77773%0.732SS**  98.6163.967.700000110.7
241E36.3Very low34.1Very low172 Ų172143.2 Ų143.280%0.80474%0.74SS**  cis-163.1168.416.1-156.6175.9-144.500111.2
242L24.5Very low34Very low158 Ų158141.2 Ų141.283%0.82774%0.737SS**  166.1140122.7-87.2171.9000114.7
243H31.6Very low33.7Very low170 Ų170138.3 Ų138.379%0.78774%0.738SS**  trans-133-160.6174.3-134.7-49.1000108.4
244P51.7Low33.1Very low96 Ų96138.6 Ų138.662%0.62374%0.737SS**  cis-122.9-136.62626.61.9000111.2
245E24.3Very low32.9Very low166 Ų166143.6 Ų143.678%0.77675%0.746SS**  cis-163.7173.14.9-164.34092.900111.9
246Q30.3Very low32.4Very low122 Ų122145.8 Ų145.857%0.5775%0.75SS**  trans-132.4170.6170.2-152.3-178111.300112
247P41.2Very low32Very low125 Ų125143.5 Ų143.581%0.81275%0.745SS**  -153179.6109.137.5-18.4000116.3
248R31.4Very low31.8Very low210 Ų210142.6 Ų142.679%0.79275%0.748SS**  trans-111.5169.3177.4-53-178.1177.7-142.64.4112.1
249P38.3Very low31.6Very low114 Ų114144.6 Ų144.674%0.7476%0.756SS**  -155.4157.391.639.8-20.7000119
250L27.1Very low31.6Very low158 Ų158146.3 Ų146.383%0.82777%0.768SS**  25151.7128.5-49.1179.6000121.6
251V29.1Very low31.3Very low131 Ų131149.1 Ų149.179%0.79477%0.77SS**  cis-157.3151.48.7-121.70000114.4
252S27.9Very low31.3Very low100 Ų100146.7 Ų146.770%0.69977%0.77SS**  trans28.6122.6146.5-165.30000123.3
253S30.5Very low31.6Very low109 Ų109146.6 Ų146.676%0.76277%0.767SS**  154.2150.9107.8-650000113.1
254K27.1Very low31.6Very low180 Ų180146.8 Ų146.878%0.78377%0.768SS**  cis-173.4146-31.9-165.5174.3-176.4165.10107.6
255R33.3Very low30.6Very low234 Ų234151.6 Ų151.688%0.88378%0.782SS**  trans77.5155.1174.3-55.8-178.7170.1160.7-2.6116
256K27.4Very low31Very low186 Ų186152 Ų15281%0.80978%0.784SS**  cis171.1131.9-21.6175.766.3-178.4162.40104.2
257S26.7Very low31.1Very low81 Ų81154.5 Ų154.557%0.56680%0.796SS**  cis-148.5-1616.2-144.60000108.3
258S30.4Very low30.5Very low98 Ų98153.6 Ų153.669%0.68579%0.788SS**  cis-162.1130.12.732.20000111.4
259E27.3Very low30.7Very low193 Ų193148 Ų14890%0.90278%0.777SS**  trans-144.4170.9145.2-102.2163.3142.700106.7
260L33.6Very low30.3Very low175 Ų175148.2 Ų148.292%0.91678%0.781SS**  trans-128.3139-177.6-73.1171.9000110.3
261D28.1Very low30.7Very low153 Ų153149.6 Ų149.682%0.81878%0.781SS**  trans-69.1155.9179.4-70.6-74.6000113.2
262P35.5Very low30.8Very low122 Ų122155 Ų15579%0.79279%0.787SS**  trans-73.3153.6172.332.5-36000111.8
263M30.4Very low30.9Very low156 Ų156156.5 Ų156.577%0.76879%0.791SS**  trans-128.8119.7166.9-75.7-17364.700111
264E31.7Very low31.1Very low174 Ų174159.5 Ų159.581%0.81379%0.794SS**  trans61.1140.2138.9-58.8179135.100120.2
265E32.1Very low31.3Very low196 Ų196156.8 Ų156.892%0.91679%0.792SS**  trans-87.7129.8179-58.3174.2130.800110
266E31.1Very low31.2Very low174 Ų174151.1 Ų151.181%0.81379%0.787SS**  trans-112.898.1173.8-94.4-80.2143.800110.3V268E266-V268 PolarHBondContact O-N 3.22Å; E266-V268 WeakPolarHBondContact OE2-CG2 3.4Å
267E33.7Very low31.5Very low175 Ų175147.5 Ų147.582%0.81879%0.785SS**  trans-79.189175.1-170.7-15414900111.1
268V27.9Very low32.3Very low107 Ų107149.3 Ų149.365%0.64879%0.794SS**  trans-108.292.1174.8-1740000111.9E266 S270E266-V268 PolarHBondContact O-N 3.22Å; E266-V268 WeakPolarHBondContact OE2-CG2 3.4Å; V268-S270 PolarHBondContact O-N 2.88Å
269T35.5Very low33.6Very low92 Ų92150.7 Ų150.756%0.56480%0.801SS**  trans-60.2123.8177.263.60000112.9
270S30Very low34.2Very low119 Ų119145 Ų14583%0.83279%0.794SS**  trans-106.587.5170.6-74.80000110.7V268 R272V268-S270 PolarHBondContact O-N 2.88Å; S270-R272 PolarHBondContact O-N 2.81Å
271K34.9Very low34.4Very low187 Ų187145.5 Ų145.581%0.81379%0.792SS**PPolyproline II helixtrans-72.2122.4-179.4-72.9179.8178.7174.40111.7V273K271-V273 PolarHBondContact O-N 3.17Å
272R32.2Very low35.4Very low243 Ų243147.8 Ų147.892%0.91780%0.798SS**PPolyproline II helixtrans-60.2126.2173.4-167.7-179.9-162.8163.94.3110.2S270 Q274S270-R272 PolarHBondContact O-N 2.81Å; R272-Q274 PolarHBondContact O-N 3.2Å
273V29.9Very low35.5Very low132 Ų132150.1 Ų150.180%0.880%0.798SS**PPolyproline II helixtrans-75119.9173.1176.50000109.2K271K271-V273 PolarHBondContact O-N 3.17Å
274Q35.4Very low36.5Very low173 Ų173148.9 Ų148.981%0.80880%0.801SS**PPolyproline II helixtrans-96.2130.9170.5-173.1167.8-400109.5R272R272-Q274 PolarHBondContact O-N 3.2Å
275V31.1Very low37.2Very low123 Ų123148 Ų14875%0.74580%0.801SS**PPolyproline II helixtrans-93.8129.9176.8175.30000108.8
276C29.8Very low38.4Very low115 Ų115143.7 Ų143.778%0.77779%0.79SS**PPolyproline II helixtrans-102.9131.5168.1-65.70000110.3
277S33.8Very low40.1Very low110 Ų110140 Ų14077%0.76978%0.776SS**  trans-137.4157.1158.7-860000108.2
278P43.8Very low41.2Very low118 Ų118139.3 Ų139.377%0.76677%0.766SS**  trans-108.9-163.5-147.744.8-37.8000112.8
279P56.9Low43.3Very low128 Ų128138.2 Ų138.283%0.83175%0.754SS**  -104.8135.8-99.133.7-18.4000112.9
280G41.4Very low45.3Very low72 Ų72135.6 Ų135.674%0.74274%0.742SS**  trans178.2137.6171.500000111.8
281E37.7Very low47.8Very low187 Ų187136.7 Ų136.787%0.87473%0.734SS**  trans52.1104.7165.8-57.7-172.1132.900117.4Q283E281-Q283 PolarHBondContact O-N 3.28Å
282E47.7Very low49.9Very low201 Ų201132.1 Ų132.194%0.93972%0.718SS**  trans-67.3120.6168-60.2179.3135.800110.4
283Q38.9Very low52.4Low171 Ų171126.9 Ų126.980%0.79970%0.698SS**  trans-130.9147.5158.2-68.6-161.87.600110.6E281 L285E281-Q283 PolarHBondContact O-N 3.28Å; Q283-L285 PolarHBondContact O-N 3.42Å
284P50.1Low55.3Low129 Ų129125.2 Ų125.284%0.83869%0.688SS**PPolyproline II helixtrans-77.6126.9-162.6-15.231.8000112.5
285L48.2Very low57.7Low156 Ų156124.6 Ų124.682%0.81768%0.678SS**PPolyproline II helixtrans-67142.7164.2-77166.8000110.1Q283 N287Q283-L285 PolarHBondContact O-N 3.42Å; L285-N287 PolarHBondContact O-N 2.61Å
286P57Low60.6Low105 Ų105124.1 Ų124.168%0.68267%0.668SS**PPolyproline II helixtrans-55.7135.3174.7-25.935000111.8W288P286-W288 VanDerWaalsContact C-N 3.26Å; P286-W288 PolarHBondContact O-N 3.08Å
287N66.2Low63.6Low98 Ų98123.3 Ų123.352%0.52465%0.652SS.*  trans-81.171.6-174.1-167.3-4.6000111.7L285 E289 A290 E291L285-N287 PolarHBondContact O-N 2.61Å; N287-E289 PolarHBondContact O-N 3.45Å; N287-E289 VanDerWaalsContact O-N 3.07Å; N287-E289 WeakPolarHBondContact OD1-CB 3.35Å; N287-E289 PolarHBondContact OD1-N 3.09Å; N287-A290 HydrophobicContact CB-CB 4.09Å; N287-A290 WeakPolarHBondContact O-CA 3.03Å; N287-A290 WeakPolarHBondContact O-CB 3.35Å; N287-A290 PolarHBondContact O-N 3.44Å; N287-A290 PolarHBondContact OD1-N 2.82Å; N287-A290 VanDerWaalsContact OD1-N 3.08Å; N287-E291 PolarHBondContact O-N 3.16Å; N287-E291 VanDerWaalsContact O-N 3.08Å
288W56.2Low66.4Low160 Ų160123.5 Ų123.561%0.60664%0.641SS**Hα-helixtrans-50.1-28.3172.158.6-89.6000112.8P286 E291 L292P286-W288 VanDerWaalsContact C-N 3.26Å; P286-W288 PolarHBondContact O-N 3.08Å; W288-E291 PolarHBondContact O-N 2.56Å; W288-L292 HydrophobicContact CE3-CD1 4.02Å; W288-L292 HydrophobicContact CZ3-CD1 4.34Å; W288-L292 WeakPolarHBondContact O-CB 3.27Å; W288-L292 PolarHBondContact O-N 2.91Å
289E72.6Confident68.8Low84 Ų84122.8 Ų122.839%0.39363%0.628SS.*Hα-helixtrans-77.8-22.5178.8-148.1-167.8-103.800112.6N287 R293N287-E289 PolarHBondContact O-N 3.45Å; N287-E289 VanDerWaalsContact O-N 3.07Å; N287-E289 WeakPolarHBondContact OD1-CB 3.35Å; N287-E289 PolarHBondContact OD1-N 3.09Å; E289-R293 WeakPolarHBondContact O-CD 3.42Å; E289-R293 VanDerWaalsContact O-CG 3.23Å; E289-R293 WeakPolarHBondContact O-CG 3.18Å; E289-R293 PolarHBondContact O-NH1 3.2Å; E289-R293 IonicContact OE2-CZ 2.75Å; E289-R293 IonicContact OE2-NH1 2.66Å; E289-R293 PolarHBondContact OE2-NH1 3.02Å; E289-R293 IonicContact OE2-NH2 3.64Å; E289-R293 PolarHBondContact OE2-NH2 3.31Å
290A78.1Confident70.6Confident37 Ų37122.3 Ų122.331%0.30661%0.614SS.*Hα-helixtrans-82.8-37.4166.700000111.4N287 L292 R293 V294N287-A290 HydrophobicContact CB-CB 4.09Å; N287-A290 WeakPolarHBondContact O-CA 3.03Å; N287-A290 WeakPolarHBondContact O-CB 3.35Å; N287-A290 PolarHBondContact O-N 3.44Å; N287-A290 PolarHBondContact OD1-N 2.82Å; N287-A290 VanDerWaalsContact OD1-N 3.08Å; A290-L292 PolarHBondContact O-N 2.91Å; A290-R293 WeakPolarHBondContact O-CB 3.36Å; A290-R293 PolarHBondContact O-N 3.22Å; A290-R293 VanDerWaalsContact O-N 3.1Å; A290-V294 WeakPolarHBondContact O-CG2 3.41Å; A290-V294 PolarHBondContact O-N 3.46Å
291E80.9Confident73.1Confident142 Ų142123.5 Ų123.566%0.66460%0.604SS**Hα-helixtrans-63.9-39.9178-164.3166.8-158.300111.9N287 W288 V294 R295N287-E291 PolarHBondContact O-N 3.16Å; N287-E291 VanDerWaalsContact O-N 3.08Å; W288-E291 PolarHBondContact O-N 2.56Å; E291-V294 PolarHBondContact O-N 2.92Å; E291-R295 WeakPolarHBondContact O-CB 3.45Å; E291-R295 PolarHBondContact O-N 3.38Å
292L79.4Confident75.8Confident91 Ų91118.8 Ų118.848%0.47659%0.585SS.*Hα-helixtrans-62.4-38.9169-89162.2000113.3W288 A290 R295 Q296W288-L292 HydrophobicContact CE3-CD1 4.02Å; W288-L292 HydrophobicContact CZ3-CD1 4.34Å; W288-L292 WeakPolarHBondContact O-CB 3.27Å; W288-L292 PolarHBondContact O-N 2.91Å; A290-L292 PolarHBondContact O-N 2.91Å; L292-R295 PolarHBondContact O-N 3.36Å; L292-Q296 WeakPolarHBondContact O-CG 3.41Å; L292-Q296 PolarHBondContact O-N 3.42Å
293R85.8Confident78.1Confident132 Ų132114.6 Ų114.650%0.49857%0.568SS.*Hα-helixtrans-68.5-40.2177-73.7171.5-176115.6-3.7112.1E289 A290 R295 Q296 Q297E289-R293 WeakPolarHBondContact O-CD 3.42Å; E289-R293 VanDerWaalsContact O-CG 3.23Å; E289-R293 WeakPolarHBondContact O-CG 3.18Å; E289-R293 PolarHBondContact O-NH1 3.2Å; E289-R293 IonicContact OE2-CZ 2.75Å; E289-R293 IonicContact OE2-NH1 2.66Å; E289-R293 PolarHBondContact OE2-NH1 3.02Å; E289-R293 IonicContact OE2-NH2 3.64Å; E289-R293 PolarHBondContact OE2-NH2 3.31Å; A290-R293 WeakPolarHBondContact O-CB 3.36Å; A290-R293 PolarHBondContact O-N 3.22Å; A290-R293 VanDerWaalsContact O-N 3.1Å; R293-R295 VanDerWaalsContact C-N 3.33Å; R293-Q296 PolarHBondContact O-N 3.47Å; R293-Q297 WeakPolarHBondContact O-CB 3.15Å; R293-Q297 PolarHBondContact O-N 3.27Å
294V90.8Very high80.9Confident97 Ų97111.6 Ų111.659%0.58855%0.554SS**Hα-helixtrans-61-44.6173.6169.40000110.3A290 E291 Q297 Q298A290-V294 WeakPolarHBondContact O-CG2 3.41Å; A290-V294 PolarHBondContact O-N 3.46Å; E291-V294 PolarHBondContact O-N 2.92Å; V294-Q297 PolarHBondContact O-N 3.3Å; V294-Q298 PolarHBondContact O-N 3.43Å
295R85.3Confident83.1Confident161 Ų161109.9 Ų109.961%0.60854%0.537SS*.Hα-helixtrans-62.2-45.8176.5-176.4175.8-178.9133.69.2112.7E291 L292 R293 Q297 Q298 E299E291-R295 WeakPolarHBondContact O-CB 3.45Å; E291-R295 PolarHBondContact O-N 3.38Å; L292-R295 PolarHBondContact O-N 3.36Å; R293-R295 VanDerWaalsContact C-N 3.33Å; R295-Q297 VanDerWaalsContact C-N 3.33Å; R295-Q297 PolarHBondContact O-N 2.78Å; R295-Q298 PolarHBondContact O-N 3.29Å; R295-E299 WeakPolarHBondContact CG-OE1 3.49Å; R295-E299 IonicContact CZ-OE1 2.69Å; R295-E299 IonicContact NE-OE1 2.7Å; R295-E299 PolarHBondContact NE-OE1 3.01Å; R295-E299 IonicContact NH2-OE1 3.6Å; R295-E299 WeakPolarHBondContact O-CG 3.42Å; R295-E299 PolarHBondContact O-N 2.95Å
296Q91.2Very high85.4Confident113 Ų113105 Ų10553%0.52852%0.519SS..Hα-helixtrans-61-42.4175.3-76175-21.200111.6L292 R293 Q298 E299 E300L292-Q296 WeakPolarHBondContact O-CG 3.41Å; L292-Q296 PolarHBondContact O-N 3.42Å; R293-Q296 PolarHBondContact O-N 3.47Å; Q296-Q298 VanDerWaalsContact C-N 3.31Å; Q296-Q298 PolarHBondContact O-N 3.24Å; Q296-E299 PolarHBondContact O-N 3.43Å; Q296-E300 WeakPolarHBondContact O-CG 3.35Å; Q296-E300 PolarHBondContact O-N 3.22Å
297Q93.9Very high87.3Confident97 Ų97104.8 Ų104.845%0.45351%0.512SS..Hα-helixtrans-62.9-39.5177.8-165.664.582.900112R293 V294 R295 E300 D301R293-Q297 WeakPolarHBondContact O-CB 3.15Å; R293-Q297 PolarHBondContact O-N 3.27Å; V294-Q297 PolarHBondContact O-N 3.3Å; R295-Q297 VanDerWaalsContact C-N 3.33Å; R295-Q297 PolarHBondContact O-N 2.78Å; Q297-E300 PolarHBondContact NE2-OE2 3.37Å; Q297-E300 WeakPolarHBondContact O-CB 3.33Å; Q297-E300 PolarHBondContact O-N 2.94Å; Q297-D301 PolarHBondContact O-N 2.72Å
298Q92.3Very high88.8Confident115 Ų115103.8 Ų103.854%0.53751%0.506SS..Hα-helixtrans-68.9-39.2175.8-173.9167.5-4.100112.3V294 R295 Q296 E300 D301 D302V294-Q298 PolarHBondContact O-N 3.43Å; R295-Q298 PolarHBondContact O-N 3.29Å; Q296-Q298 VanDerWaalsContact C-N 3.31Å; Q296-Q298 PolarHBondContact O-N 3.24Å; Q298-E300 VanDerWaalsContact C-N 3.27Å; Q298-E300 PolarHBondContact O-N 3.34Å; Q298-D301 PolarHBondContact O-N 2.87Å; Q298-D302 WeakPolarHBondContact O-CB 3.45Å; Q298-D302 PolarHBondContact O-N 3.34Å
299E93.4Very high90.6Very high103 Ų103100.5 Ų100.548%0.48150%0.5SS..Hα-helixtrans-64.7-30.4174-71.4170.1-171.800111.7R295 Q296 L303R295-E299 WeakPolarHBondContact CG-OE1 3.49Å; R295-E299 IonicContact CZ-OE1 2.69Å; R295-E299 IonicContact NE-OE1 2.7Å; R295-E299 PolarHBondContact NE-OE1 3.01Å; R295-E299 IonicContact NH2-OE1 3.6Å; R295-E299 WeakPolarHBondContact O-CG 3.42Å; R295-E299 PolarHBondContact O-N 2.95Å; Q296-E299 PolarHBondContact O-N 3.43Å; E299-L303 WeakPolarHBondContact O-CB 3.47Å; E299-L303 PolarHBondContact O-N 3.21Å
300E95.1Very high91.7Very high117 Ų117101.5 Ų101.555%0.54751%0.505SS..Hα-helixtrans-71.7-44.4169.5-72.4-179.4168.400113.2Q296 Q297 Q298 L303 H304Q296-E300 WeakPolarHBondContact O-CG 3.35Å; Q296-E300 PolarHBondContact O-N 3.22Å; Q297-E300 PolarHBondContact NE2-OE2 3.37Å; Q297-E300 WeakPolarHBondContact O-CB 3.33Å; Q297-E300 PolarHBondContact O-N 2.94Å; Q298-E300 VanDerWaalsContact C-N 3.27Å; Q298-E300 PolarHBondContact O-N 3.34Å; E300-L303 PolarHBondContact O-N 3.39Å; E300-H304 WeakPolarHBondContact O-CB 3.48Å; E300-H304 PolarHBondContact O-N 3.04Å
301D93.6Very high92.6Very high97 Ų97106.6 Ų106.652%0.51952%0.516SS..Hα-helixtrans-65.7-42.5179.4-77.9-32.2000111.7Q297 Q298 H304 L305Q297-D301 PolarHBondContact O-N 2.72Å; Q298-D301 PolarHBondContact O-N 2.87Å; D301-H304 PolarHBondContact O-N 2.74Å; D301-L305 WeakPolarHBondContact O-CB 3.32Å; D301-L305 PolarHBondContact O-N 3.16Å
302D95.6Very high93.3Very high89 Ų89105.4 Ų105.448%0.47651%0.51SS..Hα-helixtrans-63.2-40.7175.3-77.5-23.4000111.3Q298 L305 A306Q298-D302 WeakPolarHBondContact O-CB 3.45Å; Q298-D302 PolarHBondContact O-N 3.34Å; D302-L305 PolarHBondContact O-N 3.39Å; D302-A306 WeakPolarHBondContact O-CB 3.46Å; D302-A306 PolarHBondContact O-N 2.89Å
303L96.6Very high93.9Very high112 Ų112106.5 Ų106.559%0.58652%0.516SS*.Hα-helixtrans-63.5-42.5173.8-177.2113.8000111.5E299 E300 A306 L307E299-L303 WeakPolarHBondContact O-CB 3.47Å; E299-L303 PolarHBondContact O-N 3.21Å; E300-L303 PolarHBondContact O-N 3.39Å; L303-A306 PolarHBondContact O-N 2.84Å; L303-L307 HydrophobicContact CD2-CD1 4.09Å; L303-L307 HydrophobicContact CG-CD1 4.35Å; L303-L307 WeakPolarHBondContact O-CG 3.37Å; L303-L307 PolarHBondContact O-N 2.88Å
304H97.3Very high94.3Very high109 Ų109103 Ų10351%0.50551%0.507SS..Hα-helixtrans-66.3-40.3177.9-173.6-122.5000111.8E300 D301 L307 L308E300-H304 WeakPolarHBondContact O-CB 3.48Å; E300-H304 PolarHBondContact O-N 3.04Å; D301-H304 PolarHBondContact O-N 2.74Å; H304-L307 PolarHBondContact O-N 2.89Å; H304-L308 WeakPolarHBondContact O-CG 3.39Å; H304-L308 PolarHBondContact O-N 3.44Å; H304-L308 VanDerWaalsContact O-N 3.08Å
305L96.1Very high94.3Very high93 Ų93102.2 Ų102.249%0.48750%0.497SS..Hα-helixtrans-62.1-45.4173178.458.8000111.8D301 D302 L307 L308 L309D301-L305 WeakPolarHBondContact O-CB 3.32Å; D301-L305 PolarHBondContact O-N 3.16Å; D302-L305 PolarHBondContact O-N 3.39Å; L305-L307 VanDerWaalsContact C-N 3.31Å; L305-L307 PolarHBondContact O-N 3.34Å; L305-L308 PolarHBondContact O-N 2.96Å; L305-L308 VanDerWaalsContact O-N 3.14Å; L305-L309 HydrophobicContact CD1-CD1 4.25Å; L305-L309 HydrophobicContact CD1-CG 4.25Å; L305-L309 HydrophobicContact CG-CD1 4.08Å; L305-L309 WeakPolarHBondContact O-CG 3.29Å; L305-L309 PolarHBondContact O-N 3.39Å
306A95.4Very high94.5Very high54 Ų5497.2 Ų97.245%0.44648%0.481SS..Hα-helixtrans-59.7-40.2176.500000112.4D302 L303 L308 L309 Q310D302-A306 WeakPolarHBondContact O-CB 3.46Å; D302-A306 PolarHBondContact O-N 2.89Å; L303-A306 PolarHBondContact O-N 2.84Å; A306-L308 VanDerWaalsContact C-N 3.35Å; A306-L308 PolarHBondContact O-N 2.84Å; A306-L309 PolarHBondContact O-N 3.33Å; A306-Q310 WeakPolarHBondContact O-CB 3.41Å; A306-Q310 PolarHBondContact O-N 2.9Å
307L97Very high94.3Very high99 Ų9998.6 Ų98.652%0.51849%0.487SS..Hα-helixtrans-68.3-29.9175.9-72169.6000113.4L303 H304 L305 R311L303-L307 HydrophobicContact CD2-CD1 4.09Å; L303-L307 HydrophobicContact CG-CD1 4.35Å; L303-L307 WeakPolarHBondContact O-CG 3.37Å; L303-L307 PolarHBondContact O-N 2.88Å; H304-L307 PolarHBondContact O-N 2.89Å; L305-L307 VanDerWaalsContact C-N 3.31Å; L305-L307 PolarHBondContact O-N 3.34Å; L307-R311 WeakPolarHBondContact O-CB 3.24Å; L307-R311 PolarHBondContact O-N 2.9Å
308L97.5Very high93.8Very high78 Ų78101.8 Ų101.841%0.40850%0.495SS..Hα-helixtrans-72.5-46172.1-70.8171.1000111.3H304 L305 A306 R311 E312H304-L308 WeakPolarHBondContact O-CG 3.39Å; H304-L308 PolarHBondContact O-N 3.44Å; H304-L308 VanDerWaalsContact O-N 3.08Å; L305-L308 PolarHBondContact O-N 2.96Å; L305-L308 VanDerWaalsContact O-N 3.14Å; A306-L308 VanDerWaalsContact C-N 3.35Å; A306-L308 PolarHBondContact O-N 2.84Å; L308-R311 WeakPolarHBondContact O-CB 3.43Å; L308-R311 PolarHBondContact O-N 3.2Å; L308-E312 PolarHBondContact O-N 3.19Å
309L95.3Very high93.2Very high90 Ų90104 Ų10447%0.47150%0.498SS..Hα-helixtrans-61.3-45.1177.3-70.4170.1000111.7L305 A306 R311 E312 L313L305-L309 HydrophobicContact CD1-CD1 4.25Å; L305-L309 HydrophobicContact CD1-CG 4.25Å; L305-L309 HydrophobicContact CG-CD1 4.08Å; L305-L309 WeakPolarHBondContact O-CG 3.29Å; L305-L309 PolarHBondContact O-N 3.39Å; A306-L309 PolarHBondContact O-N 3.33Å; L309-R311 VanDerWaalsContact C-N 3.33Å; L309-R311 PolarHBondContact O-N 2.78Å; L309-E312 PolarHBondContact O-N 3.31Å; L309-E312 VanDerWaalsContact O-N 3.17Å; L309-L313 WeakPolarHBondContact O-CG 3.11Å; L309-L313 PolarHBondContact O-N 2.85Å
310Q95.2Very high92.4Very high106 Ų106107.7 Ų107.750%0.49551%0.508SS..Hα-helixtrans-58-45.6174.4-174.164.258.500111.2A306 E312 L313 D314A306-Q310 WeakPolarHBondContact O-CB 3.41Å; A306-Q310 PolarHBondContact O-N 2.9Å; Q310-E312 VanDerWaalsContact C-N 3.27Å; Q310-E312 PolarHBondContact O-N 3.21Å; Q310-L313 PolarHBondContact O-N 2.66Å; Q310-D314 PolarHBondContact NE2-OD1 2.84Å; Q310-D314 WeakPolarHBondContact O-CB 3.41Å; Q310-D314 PolarHBondContact O-N 3.44Å
311R96.2Very high91.6Very high143 Ų143105.1 Ų105.154%0.5451%0.507SS..Hα-helixtrans-64-30.6178.5-170.3-169.6-57.6177.14.1112.9L307 L308 L309 Q315L307-R311 WeakPolarHBondContact O-CB 3.24Å; L307-R311 PolarHBondContact O-N 2.9Å; L308-R311 WeakPolarHBondContact O-CB 3.43Å; L308-R311 PolarHBondContact O-N 3.2Å; L309-R311 VanDerWaalsContact C-N 3.33Å; L309-R311 PolarHBondContact O-N 2.78Å; R311-Q315 VanDerWaalsContact O-CG 3.3Å; R311-Q315 WeakPolarHBondContact O-CG 3.5Å; R311-Q315 PolarHBondContact O-N 2.76Å; R311-Q315 PolarHBondContact O-NE2 3.48Å
312E96Very high90.2Very high118 Ų118105.7 Ų105.755%0.55151%0.514SS*.Hα-helixtrans-76.5-43.1175.3-174.6155.7-123.400111.7L308 L309 Q310 D314 Q315 E316L308-E312 PolarHBondContact O-N 3.19Å; L309-E312 PolarHBondContact O-N 3.31Å; L309-E312 VanDerWaalsContact O-N 3.17Å; Q310-E312 VanDerWaalsContact C-N 3.27Å; Q310-E312 PolarHBondContact O-N 3.21Å; E312-D314 PolarHBondContact O-N 3.16Å; E312-Q315 WeakPolarHBondContact O-CB 3.33Å; E312-Q315 PolarHBondContact O-N 3.26Å; E312-Q315 VanDerWaalsContact O-N 3.1Å; E312-E316 WeakPolarHBondContact O-CB 3.44Å; E312-E316 PolarHBondContact O-N 3.14Å
313L93.4Very high88.4Confident114 Ų114105.1 Ų105.160%0.59751%0.511SS*.Hα-helixtrans-59.2-46.1172.4-69.2172.4000111.7L309 Q310 Q315 E316 E317L309-L313 WeakPolarHBondContact O-CG 3.11Å; L309-L313 PolarHBondContact O-N 2.85Å; Q310-L313 PolarHBondContact O-N 2.66Å; L313-Q315 PolarHBondContact O-N 2.91Å; L313-E316 PolarHBondContact O-N 3.44Å; L313-E317 WeakPolarHBondContact O-CB 3.49Å; L313-E317 PolarHBondContact O-N 3.09Å
314D92.2Very high86.8Confident58 Ų58110.9 Ų110.931%0.3153%0.525SS..Hα-helixtrans-60.1-32.2175.2-64.1-9.8000112.1Q310 E312 R318Q310-D314 PolarHBondContact NE2-OD1 2.84Å; Q310-D314 WeakPolarHBondContact O-CB 3.41Å; Q310-D314 PolarHBondContact O-N 3.44Å; E312-D314 PolarHBondContact O-N 3.16Å; D314-R318 VanDerWaalsContact CB-NH2 3.31Å; D314-R318 WeakPolarHBondContact O-CB 3.49Å; D314-R318 WeakPolarHBondContact O-CG 3.27Å; D314-R318 PolarHBondContact O-N 3.47Å; D314-R318 PolarHBondContact O-NE 3.49Å; D314-R318 PolarHBondContact O-NH2 3.49Å
315Q91.4Very high85Confident81 Ų81110.4 Ų110.438%0.37953%0.534SS..Hα-helixtrans-76.3-41.3176.6-82.2174.486.700111.6R311 E312 L313 R318 R319R311-Q315 VanDerWaalsContact O-CG 3.3Å; R311-Q315 WeakPolarHBondContact O-CG 3.5Å; R311-Q315 PolarHBondContact O-N 2.76Å; R311-Q315 PolarHBondContact O-NE2 3.48Å; E312-Q315 WeakPolarHBondContact O-CB 3.33Å; E312-Q315 PolarHBondContact O-N 3.26Å; E312-Q315 VanDerWaalsContact O-N 3.1Å; L313-Q315 PolarHBondContact O-N 2.91Å; Q315-R318 CarbonylContact O-C 3.57Å; Q315-R318 PolarHBondContact O-N 3.26Å; Q315-R319 WeakPolarHBondContact O-CG 3.17Å; Q315-R319 PolarHBondContact O-N 3.33Å
316E89.4Confident83.3Confident56 Ų56112.9 Ų112.926%0.26254%0.541SS..Hα-helixtrans-70.8-35.9179.8-173.359.7-165.200111.7E312 L313 R319 R320E312-E316 WeakPolarHBondContact O-CB 3.44Å; E312-E316 PolarHBondContact O-N 3.14Å; L313-E316 PolarHBondContact O-N 3.44Å; E316-R319 PolarHBondContact O-N 3.13Å; E316-R319 VanDerWaalsContact OE2-CD 3.23Å; E316-R319 WeakPolarHBondContact OE2-CD 3.12Å; E316-R319 IonicContact OE2-CZ 3.41Å; E316-R319 IonicContact OE2-NH1 3.63Å; E316-R319 PolarHBondContact OE2-NH1 2.66Å; E316-R320 WeakPolarHBondContact O-CB 3.5Å; E316-R320 VanDerWaalsContact O-CG 3.31Å; E316-R320 WeakPolarHBondContact O-CG 3.3Å; E316-R320 PolarHBondContact O-N 2.71Å; E316-R320 IonicContact OE1-CZ 2.98Å; E316-R320 IonicContact OE1-NE 3.17Å; E316-R320 PolarHBondContact OE1-NE 3.04Å; E316-R320 IonicContact OE1-NH2 2.61Å; E316-R320 PolarHBondContact OE1-NH2 2.93Å
317E86.5Confident81.2Confident141 Ų141113.9 Ų113.966%0.65956%0.556SS**Hα-helixtrans-60.2-47.3166.7-173.2178-135.400110.7L313 R319 R320 A321L313-E317 WeakPolarHBondContact O-CB 3.49Å; L313-E317 PolarHBondContact O-N 3.09Å; E317-R319 PolarHBondContact O-N 2.98Å; E317-R320 CarbonylContact O-C 3.55Å; E317-R320 PolarHBondContact O-N 2.94Å; E317-R320 VanDerWaalsContact O-N 3.13Å; E317-A321 WeakPolarHBondContact O-CB 3.48Å; E317-A321 PolarHBondContact O-N 2.88Å
318R83.3Confident79.1Confident164 Ų164114 Ų11462%0.61957%0.565SS**Hα-helixtrans-62.7-24.9175.6-81.8176.6-74.6-174.6-6.7114.2D314 Q315D314-R318 VanDerWaalsContact CB-NH2 3.31Å; D314-R318 WeakPolarHBondContact O-CB 3.49Å; D314-R318 WeakPolarHBondContact O-CG 3.27Å; D314-R318 PolarHBondContact O-N 3.47Å; D314-R318 PolarHBondContact O-NE 3.49Å; D314-R318 PolarHBondContact O-NH2 3.49Å; Q315-R318 CarbonylContact O-C 3.57Å; Q315-R318 PolarHBondContact O-N 3.26Å
319R80.1Confident76.8Confident161 Ų161116.1 Ų116.161%0.60859%0.586SS**Hα-helixtrans-78.8-38.5171.9-70.3165.6-173.4165.22.3112.3Q315 E316 E317Q315-R319 WeakPolarHBondContact O-CG 3.17Å; Q315-R319 PolarHBondContact O-N 3.33Å; E316-R319 PolarHBondContact O-N 3.13Å; E316-R319 VanDerWaalsContact OE2-CD 3.23Å; E316-R319 WeakPolarHBondContact OE2-CD 3.12Å; E316-R319 IonicContact OE2-CZ 3.41Å; E316-R319 IonicContact OE2-NH1 3.63Å; E316-R319 PolarHBondContact OE2-NH1 2.66Å; E317-R319 PolarHBondContact O-N 2.98Å
320R77.4Confident74.8Confident181 Ų181116.9 Ų116.968%0.68359%0.591SS**Hα-helixtrans-77.5-23.7177.9-67.6174.1-170.2-176.46.7112.8E316 E317 T322E316-R320 WeakPolarHBondContact O-CB 3.5Å; E316-R320 VanDerWaalsContact O-CG 3.31Å; E316-R320 WeakPolarHBondContact O-CG 3.3Å; E316-R320 PolarHBondContact O-N 2.71Å; E316-R320 IonicContact OE1-CZ 2.98Å; E316-R320 IonicContact OE1-NE 3.17Å; E316-R320 PolarHBondContact OE1-NE 3.04Å; E316-R320 IonicContact OE1-NH2 2.61Å; E316-R320 PolarHBondContact OE1-NH2 2.93Å; E317-R320 CarbonylContact O-C 3.55Å; E317-R320 PolarHBondContact O-N 2.94Å; E317-R320 VanDerWaalsContact O-N 3.13Å; R320-T322 VanDerWaalsContact C-N 3.27Å; R320-T322 PolarHBondContact O-N 3.42Å
321A78.4Confident72.8Confident64 Ų64116.1 Ų116.153%0.52960%0.595SS.*SBendtrans-69.377.4174.400000111.7E317 D323E317-A321 WeakPolarHBondContact O-CB 3.48Å; E317-A321 PolarHBondContact O-N 2.88Å; A321-D323 PolarHBondContact O-N 2.92Å
322T63.6Low70.5Confident108 Ų108118.7 Ų118.766%0.66361%0.606SS**  trans-50.5124.8171.949.70000111.5R320 R324R320-T322 VanDerWaalsContact C-N 3.27Å; R320-T322 PolarHBondContact O-N 3.42Å; T322-R324 WeakPolarHBondContact O-CG 3.12Å; T322-R324 PolarHBondContact O-N 3.28Å
323D58.7Low68.5Low77 Ų77120.4 Ų120.441%0.41262%0.618SS.*  trans-68.192.3-178.1-179.51.2000111.2A321 S325 K326A321-D323 PolarHBondContact O-N 2.92Å; D323-S325 PolarHBondContact O-N 2.78Å; D323-S325 VanDerWaalsContact O-N 3.08Å; D323-S325 WeakPolarHBondContact OD1-CA 3.4Å; D323-S325 VanDerWaalsContact OD1-CB 3.28Å; D323-S325 WeakPolarHBondContact OD1-CB 3.49Å; D323-S325 PolarHBondContact OD1-N 3.48Å; D323-S325 PolarHBondContact OD1-OG 3.46Å; D323-S325 PolarHBondContact OD2-OG 2.95Å; D323-K326 PolarHBondContact O-N 3.23Å; D323-K326 VanDerWaalsContact O-N 3.16Å; D323-K326 WeakPolarHBondContact OD2-CG 3.48Å; D323-K326 IonicContact OD2-NZ 2.66Å; D323-K326 PolarHBondContact OD2-NZ 3.31Å
324R62.4Low66.3Low233 Ų233123 Ų12388%0.87963%0.632SS**THydrogen-bonded Turntrans-65.9-9179.9-49.1-176.779.992.9-5.6113.4T322T322-R324 WeakPolarHBondContact O-CG 3.12Å; T322-R324 PolarHBondContact O-N 3.28Å
325S59.6Low64Low99 Ų99129.4 Ų129.469%0.69265%0.652SS**THydrogen-bonded Turntrans-86.5-18.1176.678.70000113.5D323D323-S325 PolarHBondContact O-N 2.78Å; D323-S325 VanDerWaalsContact O-N 3.08Å; D323-S325 WeakPolarHBondContact OD1-CA 3.4Å; D323-S325 VanDerWaalsContact OD1-CB 3.28Å; D323-S325 WeakPolarHBondContact OD1-CB 3.49Å; D323-S325 PolarHBondContact OD1-N 3.48Å; D323-S325 PolarHBondContact OD1-OG 3.46Å; D323-S325 PolarHBondContact OD2-OG 2.95Å
326K60.8Low61.7Low146 Ų146131.6 Ų131.664%0.63567%0.673SS**SBendtrans-124.6104.5176-58.5-174.5-158.478.40109D323 S328D323-K326 PolarHBondContact O-N 3.23Å; D323-K326 VanDerWaalsContact O-N 3.16Å; D323-K326 WeakPolarHBondContact OD2-CG 3.48Å; D323-K326 IonicContact OD2-NZ 2.66Å; D323-K326 PolarHBondContact OD2-NZ 3.31Å; K326-S328 PolarHBondContact O-N 2.88Å
327G51.3Low59.5Low74 Ų74137.2 Ų137.276%0.76370%0.699SS**  trans-51.6138.6169.300000110.1S329G327-S329 PolarHBondContact O-N 2.99Å
328S52.7Low57.2Low101 Ų101142 Ų14271%0.70671%0.711SS**  trans-45.5128.4-170.6-174.70000112.3K326 D330K326-S328 PolarHBondContact O-N 2.88Å; S328-D330 PolarHBondContact O-N 3.37Å; S328-D330 PolarHBondContact OG-N 3.31Å
329S49.6Very low55.2Low123 Ų123138.1 Ų138.186%0.8672%0.722SS**SBendtrans-77.811.2177.9-168.90000113.2G327 P331G327-S329 PolarHBondContact O-N 2.99Å; S329-P331 WeakPolarHBondContact O-CD 3.36Å
330D52.7Low53Low107 Ų107134.3 Ų134.357%0.57273%0.733SS**  trans-95105.3172.8-172.618.7000110.8S328 Y332S328-D330 PolarHBondContact O-N 3.37Å; S328-D330 PolarHBondContact OG-N 3.31Å; D330-Y332 PolarHBondContact O-N 2.91Å
331P53.1Low51.2Low90 Ų90132.2 Ų132.258%0.58474%0.741SS**  trans-79.4100.318032.5-33.4000110.5S329 L333S329-P331 WeakPolarHBondContact O-CD 3.36Å; P331-L333 HydrophobicContact CG-CD2 4.49Å; P331-L333 WeakPolarHBondContact O-CD2 3.45Å; P331-L333 WeakPolarHBondContact O-CG 3.49Å; P331-L333 PolarHBondContact O-N 2.89Å
332Y48Very low49.1Very low196 Ų196138.4 Ų138.477%0.76976%0.759SS**  trans-45.1105.5169.9-78-96.1000111.4D330 L334D330-Y332 PolarHBondContact O-N 2.91Å; Y332-L334 PolarHBondContact O-N 3.47Å
333L54.3Low47.7Very low154 Ų154142.4 Ų142.481%0.80677%0.77SS**  trans-77.366.4-170.4-65.9-177.9000112.7P331 R335P331-L333 HydrophobicContact CG-CD2 4.49Å; P331-L333 WeakPolarHBondContact O-CD2 3.45Å; P331-L333 WeakPolarHBondContact O-CG 3.49Å; P331-L333 PolarHBondContact O-N 2.89Å; L333-R335 PolarHBondContact O-N 2.94Å
334L47.6Very low46.5Very low168 Ų168143.6 Ų143.688%0.8879%0.791SS**  trans-70.522.4178.8-65.4174.1000114.5Y332Y332-L334 PolarHBondContact O-N 3.47Å
335R43.6Very low45Very low194 Ų194136 Ų13673%0.73279%0.785SS**SBendtrans-157.2126.3169.4179.3169.2-70179.2-0.3111.2L333 Q337L333-R335 PolarHBondContact O-N 2.94Å; R335-Q337 PolarHBondContact O-N 3.42Å
336P43.1Very low44.5Very low126 Ų126137.2 Ų137.282%0.81879%0.791SS**  trans-65.8115.6166.8-19.432.4000110.8R338P336-R338 PolarHBondContact O-N 3.38Å
337Q42.2Very low43Very low174 Ų174135.7 Ų135.781%0.81380%0.798SS**  trans-77.7115170.4-166.278.4-19.400108.2R335R335-Q337 PolarHBondContact O-N 3.42Å
338R39Very low42.2Very low241 Ų241143.4 Ų143.491%0.90980%0.804SS**  trans-69.3143.6171.7-82.7-167.2173.2-154.8-1.4110P336P336-R338 PolarHBondContact O-N 3.38Å
339G40.1Very low41.4Very low83 Ų83146.3 Ų146.386%0.85681%0.81SS**  trans-66161.2-169.100000115.4
340G34.8Very low41.1Very low81 Ų81146.2 Ų146.284%0.83581%0.806SS**  trans-169.369.9178.400000108.9
341T40.3Very low40.2Very low138 Ų138145.6 Ų145.685%0.84782%0.816SS**  trans-79.6116.3176.744.80000110.3
342E34.6Very low39.1Very low194 Ų194145.2 Ų145.291%0.90783%0.829SS**  trans-137148.1154-73.8-158.5147.500110.8
343E34.4Very low38.3Very low191 Ų191139.5 Ų139.589%0.89383%0.83SS**  trans-65.8151.9-164.8-67.9-71.2113.700115.2
344A33.5Very low37.5Very low103 Ų103144.3 Ų144.385%0.85184%0.837SS**  trans-104.4109172.200000111.9
345G30.7Very low37Very low74 Ų74143.8 Ų143.876%0.76383%0.834SS**  trans-108.6135.4173.500000112.7
346P47.8Very low36.6Very low124 Ų124146 Ų14681%0.80584%0.842SS**  trans-96.8142.8-168.535.1-34.9000115.3
347S30.6Very low36.1Very low113 Ų113151.6 Ų151.679%0.7985%0.847SS**  trans-159.6114.6152.9-90.40000116.3
348R33.2Very low35.7Very low237 Ų237151.3 Ų151.389%0.89485%0.847SS**  trans36.4119.6131.8-55.5177.4-170.5-99.7-1.2119.8
349I35.8Very low35.4Very low162 Ų162150.8 Ų150.883%0.83185%0.846SS**  trans-77.8151.7156.1-18.3178.5000109.7
350P43.7Very low35.1Very low120 Ų120151.2 Ų151.278%0.77984%0.835SS**  -143.3174.99238.1-23.3000112.5
351A34.4Very low34.9Very low94 Ų94152.2 Ų152.278%0.77783%0.829SS**  cis-169.5171.5-2700000107.5
352G30.6Very low34.5Very low83 Ų83151.2 Ų151.286%0.85683%0.828SS**  trans95147.5172.600000114.8
353G30.7Very low34.4Very low76 Ų76148.3 Ų148.378%0.78482%0.823SS**  cis-163133.3-7.900000110.9
354R36.4Very low34.3Very low254 Ų254144.5 Ų144.596%0.95881%0.813SS**  trans-87.2119.9179.4-69.7-176.4178.6-1750110.6
355I37.3Very low34.2Very low158 Ų158147.3 Ų147.381%0.8181%0.814SS**  trans-121.1117162.4-62-178000108.8
356R36.1Very low34.2Very low239 Ų239149.3 Ų149.390%0.90282%0.816SS**  trans-78.2140.8166.6-73174165.8172.7-6109.2
357R31.9Very low33.5Very low245 Ų245151.4 Ų151.493%0.92582%0.819SS**  trans-133.6149.3146.1-74.7-166.3177.2179.60.4109.7
358M33.7Very low33.5Very low167 Ų167151.4 Ų151.482%0.82382%0.819SS**  trans-141.6138.7-174.3-104.3-85.8-179.400107.3
359R33.4Very low33.4Very low231 Ų231145.9 Ų145.987%0.87282%0.817SS**  trans64.3155.3165-68.6-177.7169.3-146.9-2.7116.7
360S32.5Very low33.3Very low91 Ų91143.5 Ų143.564%0.63682%0.815SS**  cis-166.4152.7-21.747.80000112.2
361S31.2Very low32.8Very low102 Ų102144.5 Ų144.571%0.71382%0.818SS**  trans49.8105.8143.562.40000121.4
362S31.6Very low32.6Very low118 Ų118144.9 Ų144.983%0.82582%0.815SS**  trans177158.4137.2390000109.8
363V32.3Very low32.8Very low132 Ų132146.6 Ų146.680%0.881%0.814SS**  cis-152.7163.8-23.2131.30000107.4
364T32.4Very low32.9Very low112 Ų112147.8 Ų147.869%0.68781%0.81SS**  trans-26.7142.2179.155.90000119.6
365N31.1Very low32.9Very low161 Ų161141.8 Ų141.886%0.86180%0.801SS**  -165.8151.1108.4-101.2-15.6000113.8
366S31.6Very low32.7Very low117 Ų117139.7 Ų139.782%0.81880%0.796SS**  trans-120.2131.5178.1-57.90000110.1
367I32.4Very low32.6Very low168 Ų168134.7 Ų134.786%0.86279%0.788SS**  trans-135.9129.7160.7-57.3-178.8000108
368S31.2Very low32.6Very low113 Ų113126.9 Ų126.979%0.7977%0.771SS**  trans-117.6138.1176.350.40000110.1
369S31.1Very low32.7Very low121 Ų121126 Ų12685%0.84677%0.767SS**  trans-159.5141.2167.2-74.10000109.4
370S34.6Very low32.7Very low112 Ų112125.5 Ų125.578%0.78377%0.766SS**  trans-140.2138.1-176.248.30000111.6
371V32.1Very low32.6Very low140 Ų140126 Ų12685%0.84877%0.769SS**  trans-150.7127155.5-86.30000106.2
372S31.5Very low32.8Very low103 Ų103126.4 Ų126.472%0.7277%0.772SS**  cis89.496.342.1-65.20000113.4
373S34.1Very low32.8Very low119 Ų119127.8 Ų127.883%0.83278%0.775SS**  trans167.5157.8136.8-78.90000112.2
374S33.4Very low32.7Very low101 Ų101127.3 Ų127.371%0.70678%0.777SS**  cis176.1154.4-38.6-100.40000109.5
375V35.1Very low32.6Very low127 Ų127128.1 Ų128.177%0.7779%0.788SS**  trans55.2166.2172.6-94.30000117.1
376T33.5Very low32.6Very low114 Ų114125.8 Ų125.870%0.69978%0.784SS**  cis-137.1136.15.360000108.9
377N33.8Very low32.6Very low135 Ų135128.7 Ų128.772%0.72279%0.788SS**  61.1144.692.3-71.1-1.5000116.6
378S32.3Very low32.4Very low81 Ų81125 Ų12557%0.56678%0.778SS**  cis178.4157.8-9.4-101.40000112.9
379I34.6Very low32.2Very low147 Ų147128.2 Ų128.275%0.75478%0.778SS**  trans69.6155.2139.5-70.6167.5000116.6
380R34.2Very low32.8Very low222 Ų222128.2 Ų128.284%0.83878%0.775SS**  cis-122.5-141.99.4-152.4139.9-143.9-96.6-0.6114.2
381S31.6Very low32.5Very low100 Ų100129.4 Ų129.470%0.69977%0.766SS**  trans-165.7167.1-162.7-46.60000112.6
382S33.9Very low32.3Very low112 Ų112131.2 Ų131.278%0.78377%0.77SS**  trans81132.5153.9-48.60000120.1
383V32.1Very low32.2Very low147 Ų147136.2 Ų136.289%0.89177%0.773SS**  -163.216498.7-86.90000111
384S31Very low31.8Very low121 Ų121136.6 Ų136.685%0.84678%0.776SS**  trans-110.2161.7-175.5-48.80000112.8
385S29.8Very low31.6Very low130 Ų130136.8 Ų136.891%0.90978%0.783SS**  trans-157.2155.3161.8-79.30000111
386S30.5Very low31.3Very low111 Ų111136.7 Ų136.778%0.77679%0.788SS**  trans-147.5132.1-163.354.70000113.6
387I31.4Very low31.2Very low178 Ų178136.9 Ų136.991%0.91379%0.794SS**  trans-140.1155.5170.9-59.4-177.3000108.3
388S27.6Very low31.1Very low92 Ų92135.5 Ų135.564%0.64380%0.802SS**  trans-133.3136.2-154.1-53.80000116.5
389F27.4Very low30.9Very low179 Ų179137 Ų13779%0.78581%0.812SS**  trans58.6170.6150.7-70.2-55.6000120F391F389-F391 HydrophobicContact CD1-CB 4Å; F389-F391 HydrophobicContact CE1-CD2 4.28Å
390P45.2Very low30.8Very low121 Ų121136.6 Ų136.679%0.78682%0.816SS**  cis-101.9166-10.839.6-30.6000112.3
391F26.6Very low30.6Very low137 Ų137132.5 Ų132.560%0.60182%0.816SS**  cis8593.624.9-153.9-86.5000116.5F389 R393F389-F391 HydrophobicContact CD1-CB 4Å; F389-F391 HydrophobicContact CE1-CD2 4.28Å; F391-R393 HydrophobicContact CE1-CG 3.76Å; F391-R393 HydrophobicContact CZ-CG 3.77Å
392L29.5Very low30.7Very low179 Ų179133 Ų13394%0.93782%0.819SS**  trans-130.2143.9151.3-90.6174.1000109.4
393R28.6Very low31Very low208 Ų208139.6 Ų139.679%0.78583%0.827SS**  trans-97.8149.4-178.8-82.8173.2164.6179-4.1111.3F391F391-R393 HydrophobicContact CE1-CG 3.76Å; F391-R393 HydrophobicContact CZ-CG 3.77Å
394S26.8Very low31.4Very low126 Ų126136.5 Ų136.588%0.88183%0.825SS**  trans-140.3151131.4-90.70000108.8
395A29.1Very low31.8Very low105 Ų105136.5 Ų136.587%0.86883%0.825SS**  trans-97140.6-161.400000113.8
396S28.2Very low32.6Very low125 Ų125139.9 Ų139.987%0.87482%0.823SS**  trans-98.5116166.4-54.20000109.9A398S396-A398 PolarHBondContact O-N 3.42Å
397S31Very low33.3Very low118 Ų118143.4 Ų143.483%0.82583%0.827SS**  trans-79113.216637.10000109.5S399S397-S399 PolarHBondContact O-N 2.94Å
398A30.9Very low34.4Very low107 Ų107140 Ų14088%0.88481%0.814SS**  trans-72.4127.117300000110.3S396S396-A398 PolarHBondContact O-N 3.42Å
399S29.8Very low35.9Very low112 Ų112139.7 Ų139.778%0.78381%0.809SS**  trans-116.6148.7171.254.10000110.6S397S397-S399 PolarHBondContact O-N 2.94Å
400V31.1Very low36.6Very low138 Ų138137 Ų13784%0.83680%0.802SS**  trans-80.4130.9-163.3178.60000111.8S402V400-S402 PolarHBondContact O-N 3.16Å; V400-S402 VanDerWaalsContact O-N 3.09Å
401V31.6Very low36.7Very low136 Ų136136.4 Ų136.482%0.82480%0.796SS**  trans-7892.2177.9-173.20000110.8
402S33.5Very low37.9Very low111 Ų111135.9 Ų135.978%0.77680%0.796SS**  trans-73.4130.7167.7-73.90000111.2V400V400-S402 PolarHBondContact O-N 3.16Å; V400-S402 VanDerWaalsContact O-N 3.09Å
403R39Very low39.1Very low251 Ų251134 Ų13495%0.94778%0.784SS**  trans-79.5140.7176.7-74.5172.6161173.8-6.9111.5
404G40.5Very low39.9Very low82 Ų82131.9 Ų131.985%0.84578%0.78SS**  trans110.574.9148.900000117.1
405S38.9Very low40.9Very low120 Ų120131.1 Ų131.184%0.83977%0.771SS**PPolyproline II helixtrans-101.1132.5152440000109.2
406K47.4Very low41.7Very low202 Ų202133.9 Ų133.988%0.87877%0.77SS**PPolyproline II helixtrans-79.5147.7174.5-63.3177.7-176.4175.20109V408K406-V408 PolarHBondContact O-N 3Å
407Q46.1Very low42.6Very low185 Ų185133.7 Ų133.786%0.86477%0.766SS**PPolyproline II helixtrans-70.2124.3169.9-71.7179.6-29.700109.3T409Q407-T409 PolarHBondContact O-N 3.29Å
408V53.3Low42.8Very low105 Ų105139.9 Ų139.964%0.63677%0.771SS**PPolyproline II helixtrans-63.2126.3168.9171.70000107.9K406 E412K406-V408 PolarHBondContact O-N 3Å; V408-E412 HydrophobicContact CG1-CB 4.1Å
409T59.1Low42.9Very low86 Ų86140.4 Ų140.453%0.52877%0.769SS.*PPolyproline II helixtrans-92.9154.8177.153.10000110.7Q407 T411 E412Q407-T409 PolarHBondContact O-N 3.29Å; T409-T411 PolarHBondContact O-N 2.85Å; T409-E412 PolarHBondContact O-N 2.79Å
410L42Very low43.1Very low124 Ų124146.8 Ų146.865%0.64978%0.776SS**G310 helixtrans-52.1-26-172.1-122.1165.4000114.2E412 M413 F414L410-E412 PolarHBondContact O-N 3.15Å; L410-M413 HydrophobicContact CD2-CE 4.39Å; L410-M413 PolarHBondContact O-N 3.46Å; L410-F414 HydrophobicContact CD2-CE2 3.89Å
411T47.4Very low43.1Very low107 Ų107145.5 Ų145.566%0.65677%0.772SS**G310 helixtrans-63.6-34.4178.3-35.40000113.8T409 M413 F414T409-T411 PolarHBondContact O-N 2.85Å; T411-M413 PolarHBondContact O-N 3.14Å; T411-F414 PolarHBondContact O-N 3.2Å
412E52.2Low43.1Very low127 Ų127144.7 Ų144.759%0.59377%0.773SS**G310 helixtrans-73.4-12.3-176.4-66.8-171.7132.600113.1V408 T409 L410V408-E412 HydrophobicContact CG1-CB 4.1Å; T409-E412 PolarHBondContact O-N 2.79Å; L410-E412 PolarHBondContact O-N 3.15Å
413M53.8Low43.1Very low139 Ų139144.7 Ų144.769%0.68577%0.773SS**G310 helixtrans-84.1-8.4178.9-56.2-147-53.900114.2L410 T411L410-M413 HydrophobicContact CD2-CE 4.39Å; L410-M413 PolarHBondContact O-N 3.46Å; T411-M413 PolarHBondContact O-N 3.14Å
414F46.6Very low42.9Very low163 Ų163138.2 Ų138.272%0.71577%0.766SS**SBendtrans-111.90.2-174.4-71.3-75.8000114.8L410 T411 L416L410-F414 HydrophobicContact CD2-CE2 3.89Å; T411-F414 PolarHBondContact O-N 3.2Å; F414-L416 PolarHBondContact O-N 2.87Å
415T48.3Very low42.6Very low110 Ų110139.2 Ų139.268%0.67577%0.767SS**  trans-87.6100.1175.6470000111.7
416L44Very low42.5Very low163 Ų163137.5 Ų137.585%0.85376%0.76SS**PPolyproline II helixtrans-58.5139169.8-71.6169.4000111.3F414 R418F414-L416 PolarHBondContact O-N 2.87Å; L416-R418 PolarHBondContact O-N 3.44Å
417P47.8Very low42.2Very low122 Ų122133.7 Ų133.779%0.79275%0.753SS**PPolyproline II helixtrans-71.6117.3-178.128.2-33.9000111.4S419P417-S419 PolarHBondContact O-N 3.42Å
418R34.4Very low41.9Very low247 Ų247135.7 Ų135.793%0.93275%0.753SS**PPolyproline II helixtrans-60.3116.9168.9-101.1-175.4164.4-157.4-4.6110.2L416 R420L416-R418 PolarHBondContact O-N 3.44Å; R418-R420 PolarHBondContact O-N 2.99Å
419S34.7Very low41.2Very low119 Ų119137.6 Ų137.683%0.83276%0.76SS**PPolyproline II helixtrans-60.8125.6171.545.20000110.7P417P417-S419 PolarHBondContact O-N 3.42Å
420R32.9Very low40.2Very low246 Ų246138 Ų13893%0.92877%0.772SS**  trans-91.5111.8168-81.9-171.1169.2-145.7-1.8109.1R418 S422R418-R420 PolarHBondContact O-N 2.99Å; R420-S422 PolarHBondContact O-N 3.47Å
421S31.3Very low40.1Very low110 Ų110145.4 Ų145.477%0.76980%0.799SS**  trans-64.5124167.739.50000110.5S423S421-S423 PolarHBondContact O-N 3.06Å
422S32.8Very low39.7Very low119 Ų119147.3 Ų147.383%0.83281%0.806SS**  trans-88.290.7175.455.40000110.3R420R420-S422 PolarHBondContact O-N 3.47Å
423S32.8Very low39.1Very low111 Ų111148.4 Ų148.478%0.77682%0.817SS**  trans-65135.6176.2-59.40000111.9S421S421-S423 PolarHBondContact O-N 3.06Å
424S34.9Very low38.2Very low116 Ų116148.9 Ų148.981%0.81182%0.824SS**  trans-64.2140.7175.6-1780000111.9
425A34.2Very low37.8Very low103 Ų103148.1 Ų148.185%0.85183%0.831SS**  trans-130.3102.8170.600000109.3
426A37.5Very low37.1Very low84 Ų84150.4 Ų150.469%0.69484%0.841SS**  trans-119.2115.7-177.400000111.5
427T39.4Very low36.6Very low122 Ų122149.6 Ų149.675%0.74884%0.84SS**  trans-163.8124.9154.327.80000111.4
428R40.5Very low35.8Very low226 Ų226151.6 Ų151.685%0.85384%0.843SS**  trans56.3145.2134.7-64.5175.5178.4163.2-0.7118.5
429N37.6Very low36Very low146 Ų146144.2 Ų144.278%0.78184%0.836SS**  cis-160.7171.619.2-135.312000112.2
430A38.9Very low36.1Very low95 Ų95146.3 Ų146.379%0.78584%0.837SS**  trans63.5121.5166.900000116.3
431K39.8Very low36.3Very low278 Ų278137.3 Ų137.3100%1.20983%0.828SS**  -143.7056-156170.9-172.9176.40113.8

Retrieved 431 of 431 residues in 221.4 ms (Link to these results)

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