A0A087XL87_POEFO Loading...

Zinc finger CCCH domain-containing protein 15

AlphaFold DB , UniProt , Accession A0A087XL87, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 425 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
1M41.9Very low47Very low234 Ų234139.8 Ų139.8100%1.15384%0.837SS**  0105.70-79.5156.869.200109
2P49.8Very low47.9Very low128 Ų128138.8 Ų138.883%0.83182%0.824SS**PPolyproline II helixtrans-80.4131.7166.129.2-28.7000110.4
3P54.3Low49.6Very low128 Ų128140.1 Ų140.183%0.83181%0.813SS**PPolyproline II helixtrans-75.1141.7-176.927.6-31.3000112.9
4K52.7Low51.2Low205 Ų205140.6 Ų140.689%0.89180%0.801SS**PPolyproline II helixtrans-56140.8177.1-81.8171.8168.9173.50112.6
5K47.1Very low52.7Low204 Ų204136.1 Ų136.189%0.88778%0.777SS**PPolyproline II helixtrans-61.2130.8166.6-65.4179.7178.7-178.20110.5
6P46.2Very low54.1Low125 Ų125134.1 Ų134.181%0.81276%0.759SS**PPolyproline II helixtrans-77.2146.9169.729.3-31.4000112.1
7A46.8Very low55.5Low90 Ų90131.6 Ų131.674%0.74474%0.74SS**PPolyproline II helixtrans-66.3151.3177.900000112.6
8P41.9Very low57Low133 Ų133131.1 Ų131.186%0.86473%0.728SS**PPolyproline II helixtrans-69.8137.4-17826.9-32.7000112.8
9A38.7Very low58.3Low96 Ų96131.4 Ų131.479%0.79372%0.721SS**PPolyproline II helixtrans-63.6146.2-177.300000113.8G11A9-G11 PolarHBondContact O-N 3.36Å
10T49.3Very low59.6Low145 Ų145127.9 Ų127.989%0.8970%0.698SS**  trans-60.1112.5174.337.80000111.8
11G47.8Very low60.8Low50 Ų50126.4 Ų126.452%0.51569%0.687SS.*  trans-73.1140.1178.900000114.3A9 Q16A9-G11 PolarHBondContact O-N 3.36Å; G11-Q16 PolarHBondContact O-NE2 2.83Å
12N57.9Low62.9Low127 Ų127122.3 Ų122.368%0.67966%0.662SS**  trans-34.5133178.8-109.2-15.3000115.8K14 T15 Q16N12-K14 VanDerWaalsContact C-N 3.25Å; N12-K14 PolarHBondContact O-N 2.69Å; N12-T15 WeakPolarHBondContact O-CA 3.39Å; N12-T15 WeakPolarHBondContact O-CB 3.15Å; N12-T15 PolarHBondContact O-N 3.27Å; N12-Q16 PolarHBondContact O-N 3.23Å
13K70.3Confident64.6Low156 Ų156119.7 Ų119.768%0.67864%0.64SS**Hα-helixtrans-50.9-40.6178.3-173.4177.5178-178.60113.3T15 Q16 E17K13-T15 VanDerWaalsContact C-N 3.29Å; K13-T15 PolarHBondContact O-N 3.33Å; K13-Q16 PolarHBondContact O-N 3.06Å; K13-Q16 VanDerWaalsContact O-N 3.15Å; K13-E17 WeakPolarHBondContact CE-OE1 3.4Å; K13-E17 PolarHBondContact O-N 3.33Å
14K71.8Confident66.1Low148 Ų148114.4 Ų114.464%0.64361%0.605SS**Hα-helixtrans-62.6-32.4177.1-163.5171.8-173.8175.30113N12 K18N12-K14 VanDerWaalsContact C-N 3.25Å; N12-K14 PolarHBondContact O-N 2.69Å; K14-K18 WeakPolarHBondContact O-CG 3.27Å; K14-K18 PolarHBondContact O-N 3Å; K14-K18 VanDerWaalsContact O-N 3.17Å
15T73.7Confident67.7Low72 Ų72109.6 Ų109.644%0.44259%0.586SS.*Hα-helixtrans-75.2-32.4177.2-49.90000111.4N12 K13 K19N12-T15 WeakPolarHBondContact O-CA 3.39Å; N12-T15 WeakPolarHBondContact O-CB 3.15Å; N12-T15 PolarHBondContact O-N 3.27Å; K13-T15 VanDerWaalsContact C-N 3.29Å; K13-T15 PolarHBondContact O-N 3.33Å; T15-K19 VanDerWaalsContact O-CG 3.29Å; T15-K19 WeakPolarHBondContact O-CG 3.39Å; T15-K19 PolarHBondContact O-N 2.86Å
16Q75.8Confident69.7Low105 Ų105105.8 Ų105.849%0.49158%0.575SS.*Hα-helixtrans-73.9-35.9175.1-61.4-170.922.400112.1G11 N12 K13 K19 K20G11-Q16 PolarHBondContact O-NE2 2.83Å; N12-Q16 PolarHBondContact O-N 3.23Å; K13-Q16 PolarHBondContact O-N 3.06Å; K13-Q16 VanDerWaalsContact O-N 3.15Å; Q16-K19 PolarHBondContact O-N 3.32Å; Q16-K20 WeakPolarHBondContact O-CG 3.34Å; Q16-K20 PolarHBondContact O-N 3.19Å
17E76.9Confident71.6Confident92 Ų92105.4 Ų105.443%0.4356%0.561SS.*Hα-helixtrans-64.3-47.5174.5-73.3166.8171.700111.4K13 K19 K20 E21K13-E17 WeakPolarHBondContact CE-OE1 3.4Å; K13-E17 PolarHBondContact O-N 3.33Å; E17-K19 VanDerWaalsContact C-N 3.29Å; E17-K19 PolarHBondContact O-N 3.41Å; E17-K20 WeakPolarHBondContact O-CB 3.38Å; E17-K20 PolarHBondContact O-N 2.84Å; E17-E21 PolarHBondContact O-N 3.02Å
18K82.6Confident73.3Confident122 Ų122101.1 Ų101.153%0.5353%0.525SS..Hα-helixtrans-58.8-37.1173.7-73.2-177.3177.7-1660113.2K14 E21 K22K14-K18 WeakPolarHBondContact O-CG 3.27Å; K14-K18 PolarHBondContact O-N 3Å; K14-K18 VanDerWaalsContact O-N 3.17Å; K18-E21 PolarHBondContact O-N 3.42Å; K18-K22 WeakPolarHBondContact O-CG 3.47Å; K18-K22 PolarHBondContact O-N 3.08Å
19K82.9Confident75.4Confident136 Ų136103 Ų10359%0.59152%0.52SS*.Hα-helixtrans-65.9-39.5174.7-75.5176-179-173.10111.7T15 Q16 E17 I23T15-K19 VanDerWaalsContact O-CG 3.29Å; T15-K19 WeakPolarHBondContact O-CG 3.39Å; T15-K19 PolarHBondContact O-N 2.86Å; Q16-K19 PolarHBondContact O-N 3.32Å; E17-K19 VanDerWaalsContact C-N 3.29Å; E17-K19 PolarHBondContact O-N 3.41Å; K19-I23 WeakPolarHBondContact O-CD1 3.43Å; K19-I23 VanDerWaalsContact O-CG1 3.22Å; K19-I23 WeakPolarHBondContact O-CG1 3.35Å; K19-I23 PolarHBondContact O-N 3.35Å; K19-I23 VanDerWaalsContact O-N 3.08Å
20K83Confident77.4Confident62 Ų62100.9 Ų100.927%0.2751%0.508SS..Hα-helixtrans-66.8-39.6176.3-71174.2-177.7-172.40111.8Q16 E17 I23 I24 V50Q16-K20 WeakPolarHBondContact O-CG 3.34Å; Q16-K20 PolarHBondContact O-N 3.19Å; E17-K20 WeakPolarHBondContact O-CB 3.38Å; E17-K20 PolarHBondContact O-N 2.84Å; K20-I23 PolarHBondContact O-N 3.33Å; K20-I24 WeakPolarHBondContact O-CD1 3.5Å; K20-I24 VanDerWaalsContact O-CG1 3.27Å; K20-I24 WeakPolarHBondContact O-CG1 3.44Å; K20-I24 PolarHBondContact O-N 3.49Å; K20-V50 HydrophobicContact CB-CG1 4.09Å; K20-V50 HydrophobicContact CG-CG1 4.36Å
21E84.8Confident79Confident97 Ų9796.5 Ų96.545%0.45348%0.479SS..Hα-helixtrans-63.1-46.1175-72.9170.116800111.6E17 K18 I23 I24 E25E17-E21 PolarHBondContact O-N 3.02Å; K18-E21 PolarHBondContact O-N 3.42Å; E21-I23 VanDerWaalsContact C-N 3.31Å; E21-I23 PolarHBondContact O-N 3.06Å; E21-I24 WeakPolarHBondContact O-CB 3.42Å; E21-I24 PolarHBondContact O-N 3.12Å; E21-E25 WeakPolarHBondContact O-CG 3.24Å; E21-E25 PolarHBondContact O-N 2.79Å
22K86.9Confident79.9Confident147 Ų14799.1 Ų99.164%0.63948%0.476SS*.Hα-helixtrans-58-40.3173.5-72.9-174.9177.8-158.10113K18 I24 E25 D26K18-K22 WeakPolarHBondContact O-CG 3.47Å; K18-K22 PolarHBondContact O-N 3.08Å; K22-I24 VanDerWaalsContact C-N 3.33Å; K22-I24 PolarHBondContact O-N 3Å; K22-E25 PolarHBondContact O-N 3.24Å; K22-D26 VanDerWaalsContact O-CB 3.31Å; K22-D26 WeakPolarHBondContact O-CB 3.34Å; K22-D26 PolarHBondContact O-N 2.87Å
23I84.9Confident80.5Confident73 Ų73100.6 Ų100.637%0.37448%0.484SS..Hα-helixtrans-67.2-35.6176.9-67.3162.1000111.5K19 K20 E21 K27 V50K19-I23 WeakPolarHBondContact O-CD1 3.43Å; K19-I23 VanDerWaalsContact O-CG1 3.22Å; K19-I23 WeakPolarHBondContact O-CG1 3.35Å; K19-I23 PolarHBondContact O-N 3.35Å; K19-I23 VanDerWaalsContact O-N 3.08Å; K20-I23 PolarHBondContact O-N 3.33Å; E21-I23 VanDerWaalsContact C-N 3.31Å; E21-I23 PolarHBondContact O-N 3.06Å; I23-K27 HydrophobicContact CG2-CD 4.02Å; I23-K27 WeakPolarHBondContact O-CB 3.34Å; I23-K27 WeakPolarHBondContact O-CG 3.3Å; I23-K27 PolarHBondContact O-N 3.13Å; I23-V50 HydrophobicContact CB-CG1 4.28Å; I23-V50 HydrophobicContact CG2-CG1 4.08Å; I23-V50 HydrophobicContact CG2-CG2 4.07Å
24I86.8Confident80.8Confident17 Ų1799.5 Ų99.59%0.08748%0.48CS..Hα-helixtrans-68.2-46.1175.1-66.7159.3000109.1K20 E21 K22 D26 K27 T28 T47 V50 K51K20-I24 WeakPolarHBondContact O-CD1 3.5Å; K20-I24 VanDerWaalsContact O-CG1 3.27Å; K20-I24 WeakPolarHBondContact O-CG1 3.44Å; K20-I24 PolarHBondContact O-N 3.49Å; E21-I24 WeakPolarHBondContact O-CB 3.42Å; E21-I24 PolarHBondContact O-N 3.12Å; K22-I24 VanDerWaalsContact C-N 3.33Å; K22-I24 PolarHBondContact O-N 3Å; I24-D26 VanDerWaalsContact C-N 3.34Å; I24-D26 PolarHBondContact O-N 3.47Å; I24-K27 PolarHBondContact O-N 3.3Å; I24-T28 HydrophobicContact CG2-CG2 4.32Å; I24-T28 VanDerWaalsContact O-CB 3.29Å; I24-T28 WeakPolarHBondContact O-CB 3.3Å; I24-T28 WeakPolarHBondContact O-CG2 3.48Å; I24-T28 PolarHBondContact O-N 2.84Å; I24-T28 PolarHBondContact O-OG1 3.5Å; I24-T47 HydrophobicContact CD1-CG2 4.26Å; I24-V50 HydrophobicContact CD1-CB 4.23Å; I24-V50 HydrophobicContact CD1-CG1 4.11Å; I24-V50 HydrophobicContact CG1-CB 3.78Å; I24-V50 HydrophobicContact CG1-CG1 3.76Å; I24-V50 HydrophobicContact CG1-CG2 4.32Å; I24-K51 HydrophobicContact CD1-CD 4.4Å; I24-K51 HydrophobicContact CD1-CG 3.83Å
25E86.8Confident80.9Confident104 Ų104102.1 Ų102.149%0.48649%0.491SS..Hα-helixtrans-58.2-45.6178.5-74168.2-178.200112.2E21 K22 T28 F29E21-E25 WeakPolarHBondContact O-CG 3.24Å; E21-E25 PolarHBondContact O-N 2.79Å; K22-E25 PolarHBondContact O-N 3.24Å; E25-T28 CarbonylContact O-C 3.57Å; E25-T28 PolarHBondContact O-N 2.83Å; E25-F29 WeakPolarHBondContact O-CA 3.35Å; E25-F29 VanDerWaalsContact O-CB 3.31Å; E25-F29 WeakPolarHBondContact O-CB 3.47Å; E25-F29 PolarHBondContact O-N 3.29Å
26D87.6Confident81.4Confident124 Ų124100 Ų10066%0.66348%0.484SS*.Hα-helixtrans-67-47.2179.4-168.249.8000112.2K22 I24 T28 F29K22-D26 VanDerWaalsContact O-CB 3.31Å; K22-D26 WeakPolarHBondContact O-CB 3.34Å; K22-D26 PolarHBondContact O-N 2.87Å; I24-D26 VanDerWaalsContact C-N 3.34Å; I24-D26 PolarHBondContact O-N 3.47Å; D26-T28 VanDerWaalsContact C-N 3.27Å; D26-T28 PolarHBondContact O-N 3.29Å; D26-F29 VanDerWaalsContact O-CB 3.25Å; D26-F29 WeakPolarHBondContact O-CB 3.31Å; D26-F29 PolarHBondContact O-N 3.5Å
27K85.6Confident81.9Confident117 Ų11798.6 Ų98.651%0.50949%0.49SS..Hα-helixtrans-71.9-19.6178.6-71.6-178.1175.8-176.50114.4I23 I24 V46I23-K27 HydrophobicContact CG2-CD 4.02Å; I23-K27 WeakPolarHBondContact O-CB 3.34Å; I23-K27 WeakPolarHBondContact O-CG 3.3Å; I23-K27 PolarHBondContact O-N 3.13Å; I24-K27 PolarHBondContact O-N 3.3Å; K27-V46 HydrophobicContact CB-CG1 3.86Å; K27-V46 HydrophobicContact CD-CG1 4.17Å
28T83.6Confident82.2Confident1 Ų1102.7 Ų102.71%0.00651%0.506CS..THydrogen-bonded Turntrans-106.63.8177.263.20000112I24 E25 D26 G30 L31 K32 I43 V46I24-T28 HydrophobicContact CG2-CG2 4.32Å; I24-T28 VanDerWaalsContact O-CB 3.29Å; I24-T28 WeakPolarHBondContact O-CB 3.3Å; I24-T28 WeakPolarHBondContact O-CG2 3.48Å; I24-T28 PolarHBondContact O-N 2.84Å; I24-T28 PolarHBondContact O-OG1 3.5Å; E25-T28 CarbonylContact O-C 3.57Å; E25-T28 PolarHBondContact O-N 2.83Å; D26-T28 VanDerWaalsContact C-N 3.27Å; D26-T28 PolarHBondContact O-N 3.29Å; T28-G30 PolarHBondContact O-N 2.88Å; T28-L31 PolarHBondContact O-N 3.14Å; T28-L31 VanDerWaalsContact O-N 3.14Å; T28-K32 WeakPolarHBondContact O-CG 3.29Å; T28-K32 PolarHBondContact O-N 2.94Å; T28-K32 WeakPolarHBondContact OG1-CE 3.31Å; T28-I43 HydrophobicContact CG2-CB 4.39Å; T28-I43 HydrophobicContact CG2-CG1 4.18Å; T28-I43 HydrophobicContact CG2-CG2 4.1Å; T28-V46 HydrophobicContact CG2-CB 4.45Å; T28-V46 HydrophobicContact CG2-CG1 4.18Å
29F86.4Confident82.2Confident171 Ų171100.4 Ų100.475%0.7550%0.497SS*.THydrogen-bonded Turntrans-60.8133.9177-167.7-107.4000109.9E25 D26 L31E25-F29 WeakPolarHBondContact O-CA 3.35Å; E25-F29 VanDerWaalsContact O-CB 3.31Å; E25-F29 WeakPolarHBondContact O-CB 3.47Å; E25-F29 PolarHBondContact O-N 3.29Å; D26-F29 VanDerWaalsContact O-CB 3.25Å; D26-F29 WeakPolarHBondContact O-CB 3.31Å; D26-F29 PolarHBondContact O-N 3.5Å; F29-L31 PolarHBondContact O-N 3.15Å; F29-L31 VanDerWaalsContact O-N 3.13Å
30G81.1Confident82.1Confident53 Ų5397.4 Ų97.455%0.54649%0.485SS..THydrogen-bonded Turntrans74.7-12.1-175.600000116.2T28T28-G30 PolarHBondContact O-N 2.88Å
31L80.9Confident82.3Confident53 Ų53101.9 Ų101.928%0.27751%0.505SS..THydrogen-bonded Turntrans-96.1-19175-94.571.1000113.5T28 F29 N33 K34 Q39 Y42 I43T28-L31 PolarHBondContact O-N 3.14Å; T28-L31 VanDerWaalsContact O-N 3.14Å; F29-L31 PolarHBondContact O-N 3.15Å; F29-L31 VanDerWaalsContact O-N 3.13Å; L31-N33 PolarHBondContact O-N 3.17Å; L31-K34 PolarHBondContact O-N 3.2Å; L31-Q39 HydrophobicContact CD2-CG 4.4Å; L31-Q39 HydrophobicContact CG-CG 4.42Å; L31-Y42 HydrophobicContact CD2-CD1 3.58Å; L31-Y42 HydrophobicContact CD2-CE1 4.03Å; L31-I43 HydrophobicContact CB-CD1 4.24Å; L31-I43 HydrophobicContact CB-CG1 4.34Å
32K68.1Low82.5Confident104 Ų104103.3 Ų103.345%0.45251%0.507SS..THydrogen-bonded Turntrans-65.4-33.3-177-67.4173.4-171.4-179.30114T28T28-K32 WeakPolarHBondContact O-CG 3.29Å; T28-K32 PolarHBondContact O-N 2.94Å; T28-K32 WeakPolarHBondContact OG1-CE 3.31Å
33N69.8Low82.5Confident159 Ų15997.4 Ų97.485%0.8548%0.482SS*.THydrogen-bonded Turntrans-82.4-10.1179.1-77.42.7000114L31 K35L31-N33 PolarHBondContact O-N 3.17Å; N33-K35 PolarHBondContact O-N 2.96Å
34K76Confident82.6Confident133 Ų133101 Ų10158%0.57850%0.495SS*.  trans-89.5105.6177-76.1175.7-179.8174.50109.6L31 G36 Q39L31-K34 PolarHBondContact O-N 3.2Å; K34-G36 PolarHBondContact O-N 2.95Å; K34-Q39 HydrophobicContact CB-CG 4.4Å
35K75.8Confident82.6Confident203 Ų203105.1 Ų105.188%0.88352%0.517SS*.  trans-67.810.6179.9-64.6-179.7-179.9173.50114.8N33N33-K35 PolarHBondContact O-N 2.96Å
36G83.8Confident82.6Confident28 Ų28100.5 Ų100.529%0.28950%0.496SS..  trans-68.7134.4-177.800000113.5K34 K38 Q39 Q40K34-G36 PolarHBondContact O-N 2.95Å; G36-K38 PolarHBondContact O-N 3.12Å; G36-K38 VanDerWaalsContact O-N 3.17Å; G36-Q39 PolarHBondContact O-N 2.94Å; G36-Q39 VanDerWaalsContact O-N 3.1Å; G36-Q40 WeakPolarHBondContact O-CG 3.34Å; G36-Q40 PolarHBondContact O-N 3.38Å
37A84.9Confident82.6Confident75 Ų7596.2 Ų96.262%0.6247%0.474SS*.Hα-helixtrans-59.4-29.1-17800000113.9K41A37-K41 WeakPolarHBondContact O-CG 3.25Å; A37-K41 PolarHBondContact O-N 2.87Å
38K84.1Confident82.5Confident178 Ų17896.3 Ų96.377%0.77448%0.477SS*.Hα-helixtrans-73.5-42.1176.1-67.1-178.2-178.4176.20111.4G36 K41 Y42G36-K38 PolarHBondContact O-N 3.12Å; G36-K38 VanDerWaalsContact O-N 3.17Å; K38-K41 PolarHBondContact O-N 3.4Å; K38-Y42 PolarHBondContact O-N 3.34Å
39Q81.8Confident82.5Confident73 Ų73102.6 Ų102.634%0.34151%0.506SS..Hα-helixtrans-66.1-41.4177-73.272.41300111.1L31 K34 G36 K41 Y42 I43L31-Q39 HydrophobicContact CD2-CG 4.4Å; L31-Q39 HydrophobicContact CG-CG 4.42Å; K34-Q39 HydrophobicContact CB-CG 4.4Å; G36-Q39 PolarHBondContact O-N 2.94Å; G36-Q39 VanDerWaalsContact O-N 3.1Å; Q39-K41 PolarHBondContact O-N 2.77Å; Q39-Y42 WeakPolarHBondContact O-CB 3.38Å; Q39-Y42 PolarHBondContact O-N 3.45Å; Q39-Y42 VanDerWaalsContact O-N 3.15Å; Q39-I43 VanDerWaalsContact O-CG1 3.31Å; Q39-I43 WeakPolarHBondContact O-CG1 3.47Å; Q39-I43 PolarHBondContact O-N 2.97Å
40Q81.9Confident82.4Confident73 Ų7395.7 Ų95.734%0.34148%0.478SS..Hα-helixtrans-62.6-39.3174.8-71.2-65.9-20.300112.6G36 K44G36-Q40 WeakPolarHBondContact O-CG 3.34Å; G36-Q40 PolarHBondContact O-N 3.38Å; Q40-K44 WeakPolarHBondContact O-CG 3.43Å; Q40-K44 PolarHBondContact O-N 3.49Å
41K87.8Confident82.3Confident157 Ų15798 Ų9868%0.68347%0.473SS*.Hα-helixtrans-65-38.3173.2-75.3178.6-176.1-176.90112.1A37 K38 Q39 K44 N45A37-K41 WeakPolarHBondContact O-CG 3.25Å; A37-K41 PolarHBondContact O-N 2.87Å; K38-K41 PolarHBondContact O-N 3.4Å; Q39-K41 PolarHBondContact O-N 2.77Å; K41-K44 PolarHBondContact O-N 2.89Å; K41-N45 WeakPolarHBondContact O-CB 3.46Å; K41-N45 PolarHBondContact O-N 3.23Å
42Y87.1Confident81.9Confident127 Ų127101.6 Ų101.650%0.49848%0.484SS..Hα-helixtrans-65.4-46.8175.8-177-100.7000112.1L31 K38 Q39 K44 N45 V46L31-Y42 HydrophobicContact CD2-CD1 3.58Å; L31-Y42 HydrophobicContact CD2-CE1 4.03Å; K38-Y42 PolarHBondContact O-N 3.34Å; Q39-Y42 WeakPolarHBondContact O-CB 3.38Å; Q39-Y42 PolarHBondContact O-N 3.45Å; Q39-Y42 VanDerWaalsContact O-N 3.15Å; Y42-K44 VanDerWaalsContact C-N 3.3Å; Y42-K44 PolarHBondContact O-N 3.05Å; Y42-N45 PolarHBondContact O-N 3.28Å; Y42-N45 VanDerWaalsContact O-N 3.13Å; Y42-V46 HydrophobicContact CD1-CG2 4.04Å; Y42-V46 HydrophobicContact CD2-CG2 4.33Å; Y42-V46 HydrophobicContact CE1-CG2 3.64Å; Y42-V46 HydrophobicContact CE2-CG2 3.96Å; Y42-V46 HydrophobicContact CG-CG2 4.38Å; Y42-V46 WeakPolarHBondContact O-CG2 3.33Å; Y42-V46 PolarHBondContact O-N 3.27Å
43I86.9Confident81.8Confident23 Ų2399.7 Ų99.712%0.11849%0.493CS..Hα-helixtrans-57.4-44.1175.8-66.7165.2000110.8T28 L31 Q39 T47T28-I43 HydrophobicContact CG2-CB 4.39Å; T28-I43 HydrophobicContact CG2-CG1 4.18Å; T28-I43 HydrophobicContact CG2-CG2 4.1Å; L31-I43 HydrophobicContact CB-CD1 4.24Å; L31-I43 HydrophobicContact CB-CG1 4.34Å; Q39-I43 VanDerWaalsContact O-CG1 3.31Å; Q39-I43 WeakPolarHBondContact O-CG1 3.47Å; Q39-I43 PolarHBondContact O-N 2.97Å; I43-T47 VanDerWaalsContact O-CB 3.27Å; I43-T47 WeakPolarHBondContact O-CB 3.39Å; I43-T47 PolarHBondContact O-N 2.98Å; I43-T47 PolarHBondContact O-OG1 3Å
44K87.2Confident81.3Confident148 Ų148100.4 Ų100.464%0.64349%0.492SS*.Hα-helixtrans-61.6-44.7175.9-75179.7-178-177.80112Q40 K41 Y42 T47 Q48Q40-K44 WeakPolarHBondContact O-CG 3.43Å; Q40-K44 PolarHBondContact O-N 3.49Å; K41-K44 PolarHBondContact O-N 2.89Å; Y42-K44 VanDerWaalsContact C-N 3.3Å; Y42-K44 PolarHBondContact O-N 3.05Å; K44-T47 PolarHBondContact O-N 3.13Å; K44-Q48 VanDerWaalsContact O-CB 3.32Å; K44-Q48 WeakPolarHBondContact O-CB 3.15Å; K44-Q48 PolarHBondContact O-N 3.28Å
45N87.5Confident80.6Confident103 Ų10399 Ų9955%0.55149%0.487SS*.Hα-helixtrans-67.1-43.7-179.5-159.59.3000112.1K41 Y42 Q48 Q49K41-N45 WeakPolarHBondContact O-CB 3.46Å; K41-N45 PolarHBondContact O-N 3.23Å; Y42-N45 PolarHBondContact O-N 3.28Å; Y42-N45 VanDerWaalsContact O-N 3.13Å; N45-Q48 PolarHBondContact O-N 3.44Å; N45-Q49 WeakPolarHBondContact O-CB 3.47Å; N45-Q49 PolarHBondContact O-N 3.32Å
46V87.7Confident80Confident8 Ų893 Ų935%0.04847%0.471CS..Hα-helixtrans-63.9-43.7176.3172.90000111.4K27 T28 Y42 Q48 Q49 V50K27-V46 HydrophobicContact CB-CG1 3.86Å; K27-V46 HydrophobicContact CD-CG1 4.17Å; T28-V46 HydrophobicContact CG2-CB 4.45Å; T28-V46 HydrophobicContact CG2-CG1 4.18Å; Y42-V46 HydrophobicContact CD1-CG2 4.04Å; Y42-V46 HydrophobicContact CD2-CG2 4.33Å; Y42-V46 HydrophobicContact CE1-CG2 3.64Å; Y42-V46 HydrophobicContact CE2-CG2 3.96Å; Y42-V46 HydrophobicContact CG-CG2 4.38Å; Y42-V46 WeakPolarHBondContact O-CG2 3.33Å; Y42-V46 PolarHBondContact O-N 3.27Å; V46-Q48 VanDerWaalsContact C-N 3.31Å; V46-Q48 PolarHBondContact O-N 3.45Å; V46-Q49 PolarHBondContact O-N 3.22Å; V46-V50 WeakPolarHBondContact O-CG2 3.43Å; V46-V50 PolarHBondContact O-N 3.34Å
47T86.1Confident79Confident33 Ų3395.6 Ų95.620%0.20249%0.489CS..Hα-helixtrans-60.9-43.2176.4-58.40000111.1I24 I43 K44 K51I24-T47 HydrophobicContact CD1-CG2 4.26Å; I43-T47 VanDerWaalsContact O-CB 3.27Å; I43-T47 WeakPolarHBondContact O-CB 3.39Å; I43-T47 PolarHBondContact O-N 2.98Å; I43-T47 PolarHBondContact O-OG1 3Å; K44-T47 PolarHBondContact O-N 3.13Å; T47-K51 HydrophobicContact CG2-CD 3.94Å; T47-K51 HydrophobicContact CG2-CG 4.41Å; T47-K51 VanDerWaalsContact O-CB 3.31Å; T47-K51 WeakPolarHBondContact O-CB 3.43Å; T47-K51 WeakPolarHBondContact O-CG 2.9Å; T47-K51 PolarHBondContact O-N 2.89Å
48Q84.1Confident78Confident119 Ų119101.1 Ų101.156%0.55649%0.494SS*.Hα-helixtrans-67.2-42.1178.9-166.4173.68.900111.5K44 N45 V46 V50 Y52K44-Q48 VanDerWaalsContact O-CB 3.32Å; K44-Q48 WeakPolarHBondContact O-CB 3.15Å; K44-Q48 PolarHBondContact O-N 3.28Å; N45-Q48 PolarHBondContact O-N 3.44Å; V46-Q48 VanDerWaalsContact C-N 3.31Å; V46-Q48 PolarHBondContact O-N 3.45Å; Q48-V50 PolarHBondContact O-N 3.44Å; Q48-Y52 HydrophobicContact CB-CD2 4.43Å; Q48-Y52 HydrophobicContact CG-CD2 3.74Å; Q48-Y52 HydrophobicContact CG-CE2 4.28Å; Q48-Y52 WeakPolarHBondContact O-CB 3.46Å; Q48-Y52 WeakPolarHBondContact O-CD2 3.46Å; Q48-Y52 PolarHBondContact O-N 2.96Å
49Q83.9Confident77.1Confident133 Ų13397.5 Ų97.562%0.62148%0.48SS*.Hα-helixtrans-64.3-39.6178.7-165.1176.827.200112.3N45 V46 G53N45-Q49 WeakPolarHBondContact O-CB 3.47Å; N45-Q49 PolarHBondContact O-N 3.32Å; V46-Q49 PolarHBondContact O-N 3.22Å; Q49-G53 WeakPolarHBondContact O-CA 3.06Å; Q49-G53 PolarHBondContact O-N 3.45Å
50V83.1Confident76.3Confident27 Ų2797 Ų9716%0.16448%0.479CS..Hα-helixtrans-78.6-35.3-179.9178.30000112.3K20 I23 I24 V46 Q48K20-V50 HydrophobicContact CB-CG1 4.09Å; K20-V50 HydrophobicContact CG-CG1 4.36Å; I23-V50 HydrophobicContact CB-CG1 4.28Å; I23-V50 HydrophobicContact CG2-CG1 4.08Å; I23-V50 HydrophobicContact CG2-CG2 4.07Å; I24-V50 HydrophobicContact CD1-CB 4.23Å; I24-V50 HydrophobicContact CD1-CG1 4.11Å; I24-V50 HydrophobicContact CG1-CB 3.78Å; I24-V50 HydrophobicContact CG1-CG1 3.76Å; I24-V50 HydrophobicContact CG1-CG2 4.32Å; V46-V50 WeakPolarHBondContact O-CG2 3.43Å; V46-V50 PolarHBondContact O-N 3.34Å; Q48-V50 PolarHBondContact O-N 3.44Å
51K79.4Confident75.6Confident100 Ų10096.3 Ų96.344%0.43549%0.486SS..Hα-helixtrans-74.2-41.4178.1-72.3-171.9177.6-176.40112.6I24 T47I24-K51 HydrophobicContact CD1-CD 4.4Å; I24-K51 HydrophobicContact CD1-CG 3.83Å; T47-K51 HydrophobicContact CG2-CD 3.94Å; T47-K51 HydrophobicContact CG2-CG 4.41Å; T47-K51 VanDerWaalsContact O-CB 3.31Å; T47-K51 WeakPolarHBondContact O-CB 3.43Å; T47-K51 WeakPolarHBondContact O-CG 2.9Å; T47-K51 PolarHBondContact O-N 2.89Å
52Y73.7Confident74.7Confident130 Ų13094.1 Ų94.151%0.5148%0.478SS..Hα-helixtrans-112.7-11.8-169.9-56.6-77.1000114.8Q48 Q54 Q55Q48-Y52 HydrophobicContact CB-CD2 4.43Å; Q48-Y52 HydrophobicContact CG-CD2 3.74Å; Q48-Y52 HydrophobicContact CG-CE2 4.28Å; Q48-Y52 WeakPolarHBondContact O-CB 3.46Å; Q48-Y52 WeakPolarHBondContact O-CD2 3.46Å; Q48-Y52 PolarHBondContact O-N 2.96Å; Y52-Q54 PolarHBondContact O-N 3.15Å; Y52-Q55 PolarHBondContact O-N 3.1Å; Y52-Q55 VanDerWaalsContact O-N 3.16Å
53G65.1Low73.7Confident63 Ų6390.4 Ų90.465%0.64947%0.474SS*.THydrogen-bonded Turntrans-64.75.6-172.700000116.5Q49Q49-G53 WeakPolarHBondContact O-CA 3.06Å; Q49-G53 PolarHBondContact O-N 3.45Å
54Q59.8Low72.9Confident175 Ų17595.4 Ų95.482%0.81850%0.496SS*.THydrogen-bonded Turntrans-131.813178.4-145.8173.3-9.800114.1Y52Y52-Q54 PolarHBondContact O-N 3.15Å
55Q60.6Low72Confident103 Ų10390.8 Ų90.848%0.48149%0.486SS..SBendtrans-107.1126.7171-61.6-144-82.600110.7Y52 I60Y52-Q55 PolarHBondContact O-N 3.1Å; Y52-Q55 VanDerWaalsContact O-N 3.16Å; Q55-I60 HydrophobicContact CB-CG1 4.42Å
56S62.8Low71.1Confident78 Ų7890.8 Ų90.855%0.54549%0.486SS..  trans-56.9139.2174.9173.60000110R58 Q59S56-R58 PolarHBondContact O-N 3.13Å; S56-Q59 PolarHBondContact O-N 3.14Å
57A63.3Low70.2Confident82 Ų8297.5 Ų97.568%0.67851%0.514SS*.Hα-helixtrans-49.4-26-179.400000113.7A61A57-A61 PolarHBondContact O-N 3.26Å
58R64.2Low69.4Low190 Ų190100.1 Ų100.172%0.71753%0.53SS*.Hα-helixtrans-69-33176.1-160.6173.5-176.6177.70.8113.9S56 Q62S56-R58 PolarHBondContact O-N 3.13Å; R58-Q62 WeakPolarHBondContact O-CG 3.36Å; R58-Q62 PolarHBondContact O-N 3.04Å
59Q65.4Low68.7Low102 Ų10296.5 Ų96.548%0.47752%0.518SS..Hα-helixtrans-77.5-31.3178-74.3178.35.800112.2S56 A63S56-Q59 PolarHBondContact O-N 3.14Å; Q59-A63 WeakPolarHBondContact O-CB 3.28Å; Q59-A63 PolarHBondContact O-N 3.32Å
60I64.5Low68.3Low64 Ų6497.1 Ų97.133%0.32852%0.519SS..Hα-helixtrans-68.6-45.7175.3-62.5171.3000109.7Q55 Q62 A63 E64Q55-I60 HydrophobicContact CB-CG1 4.42Å; I60-Q62 VanDerWaalsContact C-N 3.34Å; I60-Q62 PolarHBondContact O-N 3.5Å; I60-A63 PolarHBondContact O-N 2.85Å; I60-E64 PolarHBondContact O-N 2.92Å
61A67.9Low67.8Low58 Ų58103.6 Ų103.648%0.47955%0.545SS..Hα-helixtrans-62.2-37.2176.600000113.3A57 A65A57-A61 PolarHBondContact O-N 3.26Å; A61-A65 WeakPolarHBondContact O-CB 3.29Å; A61-A65 PolarHBondContact O-N 3.38Å
62Q68.1Low67.7Low110 Ų110102.1 Ų102.151%0.51455%0.545SS..Hα-helixtrans-69.2-41175.7-76.6176.6-17.800112.4R58 I60 E64 A65 D66R58-Q62 WeakPolarHBondContact O-CG 3.36Å; R58-Q62 PolarHBondContact O-N 3.04Å; I60-Q62 VanDerWaalsContact C-N 3.34Å; I60-Q62 PolarHBondContact O-N 3.5Å; Q62-E64 VanDerWaalsContact C-N 3.32Å; Q62-E64 PolarHBondContact O-N 3.44Å; Q62-A65 PolarHBondContact O-N 3.49Å; Q62-D66 WeakPolarHBondContact O-CB 2.88Å; Q62-D66 PolarHBondContact O-N 3.43Å
63A66.7Low67.8Low50 Ų50100.1 Ų100.141%0.41354%0.543SS..Hα-helixtrans-68.7-28.717800000113.3Q59 I60 K67Q59-A63 WeakPolarHBondContact O-CB 3.28Å; Q59-A63 PolarHBondContact O-N 3.32Å; I60-A63 PolarHBondContact O-N 2.85Å; A63-K67 VanDerWaalsContact O-CG 3.3Å; A63-K67 WeakPolarHBondContact O-CG 3.32Å; A63-K67 PolarHBondContact O-N 2.91Å
64E70.3Confident68.4Low127 Ų127103.8 Ų103.859%0.59354%0.541SS*.Hα-helixtrans-77-40.9173.1-71.2-170.5130.100112.1I60 Q62 D66 K67 T68I60-E64 PolarHBondContact O-N 2.92Å; Q62-E64 VanDerWaalsContact C-N 3.32Å; Q62-E64 PolarHBondContact O-N 3.44Å; E64-D66 PolarHBondContact O-N 2.72Å; E64-K67 PolarHBondContact O-N 3.46Å; E64-T68 PolarHBondContact O-N 3.47Å; E64-T68 PolarHBondContact O-OG1 2.96Å
65A67.9Low69.3Low51 Ų51102 Ų10242%0.42153%0.53SS..Hα-helixtrans-60.5-44.1174.700000112.3A61 Q62 K67 T68 S69A61-A65 WeakPolarHBondContact O-CB 3.29Å; A61-A65 PolarHBondContact O-N 3.38Å; Q62-A65 PolarHBondContact O-N 3.49Å; A65-K67 VanDerWaalsContact C-N 3.31Å; A65-K67 PolarHBondContact O-N 3.04Å; A65-T68 WeakPolarHBondContact CA-OG1 3.37Å; A65-T68 PolarHBondContact O-N 2.92Å; A65-T68 PolarHBondContact O-OG1 2.99Å; A65-S69 PolarHBondContact O-N 3.01Å; A65-S69 PolarHBondContact O-OG 2.89Å
66D69.6Low70.3Confident103 Ų103103 Ų10355%0.55153%0.533SS*.Hα-helixtrans-67.7-27.5177.6-78.6-23.6000113.5Q62 E64 S69 K70Q62-D66 WeakPolarHBondContact O-CB 2.88Å; Q62-D66 PolarHBondContact O-N 3.43Å; E64-D66 PolarHBondContact O-N 2.72Å; D66-S69 WeakPolarHBondContact CA-OG 3.27Å; D66-S69 PolarHBondContact O-OG 2.86Å; D66-K70 WeakPolarHBondContact O-CB 3.39Å; D66-K70 PolarHBondContact O-N 3.44Å
67K68.6Low71.3Confident149 Ų149105 Ų10565%0.64853%0.533SS*.Hα-helixtrans-76.1-35.2173.1-78.9176.1-178178.80111.7A63 E64 A65 K71A63-K67 VanDerWaalsContact O-CG 3.3Å; A63-K67 WeakPolarHBondContact O-CG 3.32Å; A63-K67 PolarHBondContact O-N 2.91Å; E64-K67 PolarHBondContact O-N 3.46Å; A65-K67 VanDerWaalsContact C-N 3.31Å; A65-K67 PolarHBondContact O-N 3.04Å; K67-K71 WeakPolarHBondContact O-CG 3.47Å; K67-K71 PolarHBondContact O-N 2.81Å
68T68.3Low71.9Confident88 Ų88106.2 Ų106.254%0.5453%0.528SS..Hα-helixtrans-71.4-41.2176.749.60000112.2E64 A65 K71 T72E64-T68 PolarHBondContact O-N 3.47Å; E64-T68 PolarHBondContact O-OG1 2.96Å; A65-T68 WeakPolarHBondContact CA-OG1 3.37Å; A65-T68 PolarHBondContact O-N 2.92Å; A65-T68 PolarHBondContact O-OG1 2.99Å; T68-K71 PolarHBondContact O-N 3.3Å; T68-T72 WeakPolarHBondContact O-CG2 3.35Å; T68-T72 PolarHBondContact O-N 3.36Å; T68-T72 PolarHBondContact O-OG1 2.76Å
69S70.2Confident72.6Confident43 Ų43101.5 Ų101.530%0.30152%0.517SS..Hα-helixtrans-64.8-45.8176.857.20000112.2A65 D66 K71 T72 D73A65-S69 PolarHBondContact O-N 3.01Å; A65-S69 PolarHBondContact O-OG 2.89Å; D66-S69 WeakPolarHBondContact CA-OG 3.27Å; D66-S69 PolarHBondContact O-OG 2.86Å; S69-K71 VanDerWaalsContact C-N 3.26Å; S69-K71 PolarHBondContact O-N 2.88Å; S69-T72 WeakPolarHBondContact CA-OG1 3.31Å; S69-T72 PolarHBondContact O-N 3.24Å; S69-T72 VanDerWaalsContact O-N 3.11Å; S69-T72 PolarHBondContact O-OG1 3.48Å; S69-D73 WeakPolarHBondContact O-CB 3.38Å; S69-D73 VanDerWaalsContact O-CG 3.24Å; S69-D73 PolarHBondContact O-N 3.01Å
70K74.1Confident73.5Confident146 Ų146103.1 Ų103.164%0.63553%0.525SS*.Hα-helixtrans-61.8-30.5174.8-82.3179.1177.7172.70113.8D66 K74D66-K70 WeakPolarHBondContact O-CB 3.39Å; D66-K70 PolarHBondContact O-N 3.44Å; K70-K74 WeakPolarHBondContact O-CB 3.37Å; K70-K74 VanDerWaalsContact O-CG 3.28Å; K70-K74 WeakPolarHBondContact O-CG 3.36Å; K70-K74 PolarHBondContact O-N 3.23Å
71K74.4Confident74.2Confident164 Ų164103.9 Ų103.971%0.71353%0.529SS*.Hα-helixtrans-74.2-37.8174.1-82.5-176.3175.9-175.10111.9K67 T68 S69 K75K67-K71 WeakPolarHBondContact O-CG 3.47Å; K67-K71 PolarHBondContact O-N 2.81Å; T68-K71 PolarHBondContact O-N 3.3Å; S69-K71 VanDerWaalsContact C-N 3.26Å; S69-K71 PolarHBondContact O-N 2.88Å; K71-K75 WeakPolarHBondContact O-CB 3.29Å; K71-K75 PolarHBondContact O-N 3.48Å; K71-K75 VanDerWaalsContact O-N 3.16Å
72T75.9Confident74.5Confident69 Ų69105.9 Ų105.942%0.42353%0.532SS..Hα-helixtrans-71.1-37177.253.40000112.2T68 S69 K75 K76T68-T72 WeakPolarHBondContact O-CG2 3.35Å; T68-T72 PolarHBondContact O-N 3.36Å; T68-T72 PolarHBondContact O-OG1 2.76Å; S69-T72 WeakPolarHBondContact CA-OG1 3.31Å; S69-T72 PolarHBondContact O-N 3.24Å; S69-T72 VanDerWaalsContact O-N 3.11Å; S69-T72 PolarHBondContact O-OG1 3.48Å; T72-K75 PolarHBondContact O-N 2.72Å; T72-K76 VanDerWaalsContact O-CG 3.3Å; T72-K76 WeakPolarHBondContact O-CG 3.35Å; T72-K76 PolarHBondContact O-N 2.61Å
73D76.8Confident75Confident88 Ų88106.5 Ų106.547%0.47154%0.535SS..Hα-helixtrans-72.9-41.5-179.1-63.8-22.2000111.3S69 K75 K76 E77S69-D73 WeakPolarHBondContact O-CB 3.38Å; S69-D73 VanDerWaalsContact O-CG 3.24Å; S69-D73 PolarHBondContact O-N 3.01Å; D73-K75 VanDerWaalsContact C-N 3.28Å; D73-K75 PolarHBondContact O-N 2.79Å; D73-K76 PolarHBondContact O-N 3.06Å; D73-E77 WeakPolarHBondContact O-CB 3.37Å; D73-E77 PolarHBondContact O-N 3.32Å
74K77.3Confident75.6Confident140 Ų140111.1 Ų111.161%0.60955%0.551SS**Hα-helixtrans-62.6-33.8171.7-75.3-177.5177.1-167.70113.3K70 L78K70-K74 WeakPolarHBondContact O-CB 3.37Å; K70-K74 VanDerWaalsContact O-CG 3.28Å; K70-K74 WeakPolarHBondContact O-CG 3.36Å; K70-K74 PolarHBondContact O-N 3.23Å; K74-L78 WeakPolarHBondContact O-CB 3.39Å; K74-L78 PolarHBondContact O-N 2.99Å; K74-L78 VanDerWaalsContact O-N 3.08Å
75K78.6Confident75.6Confident138 Ų138112.5 Ų112.560%0.656%0.556SS**Hα-helixtrans-68.8-42.5175.4-175.2176.5176.2-179.80111.1K71 T72 D73 L78 D79K71-K75 WeakPolarHBondContact O-CB 3.29Å; K71-K75 PolarHBondContact O-N 3.48Å; K71-K75 VanDerWaalsContact O-N 3.16Å; T72-K75 PolarHBondContact O-N 2.72Å; D73-K75 VanDerWaalsContact C-N 3.28Å; D73-K75 PolarHBondContact O-N 2.79Å; K75-L78 PolarHBondContact O-N 3.02Å; K75-D79 VanDerWaalsContact O-CG 3.29Å; K75-D79 PolarHBondContact O-N 2.99Å
76K82.5Confident75.8Confident123 Ų123114.1 Ų114.154%0.53555%0.553SS.*Hα-helixtrans-64.4-42.1175.8-71.8171-177.9176.20112.1T72 D73 L78 D79 E80T72-K76 VanDerWaalsContact O-CG 3.3Å; T72-K76 WeakPolarHBondContact O-CG 3.35Å; T72-K76 PolarHBondContact O-N 2.61Å; D73-K76 PolarHBondContact O-N 3.06Å; K76-L78 PolarHBondContact O-N 3.41Å; K76-D79 PolarHBondContact O-N 2.57Å; K76-E80 WeakPolarHBondContact O-CB 3.27Å; K76-E80 WeakPolarHBondContact O-CG 3.36Å; K76-E80 PolarHBondContact O-N 3.01Å
77E83.6Confident75.3Confident119 Ų119113.1 Ų113.156%0.55655%0.553SS**Hα-helixtrans-63-40.3176.2-172.8179.4-174.200112D73 E80 L81D73-E77 WeakPolarHBondContact O-CB 3.37Å; D73-E77 PolarHBondContact O-N 3.32Å; E77-E80 PolarHBondContact O-N 2.96Å; E77-L81 HydrophobicContact CG-CD1 4.31Å; E77-L81 WeakPolarHBondContact O-CB 3.4Å; E77-L81 WeakPolarHBondContact O-CG 3.44Å; E77-L81 PolarHBondContact O-N 3.49Å
78L76.2Confident74.7Confident109 Ų109113.1 Ų113.157%0.57156%0.564SS**Hα-helixtrans-65.9-39173.4-85.9169.5000113K74 K75 K76 N82K74-L78 WeakPolarHBondContact O-CB 3.39Å; K74-L78 PolarHBondContact O-N 2.99Å; K74-L78 VanDerWaalsContact O-N 3.08Å; K75-L78 PolarHBondContact O-N 3.02Å; K76-L78 PolarHBondContact O-N 3.41Å; L78-N82 WeakPolarHBondContact O-CB 3.27Å; L78-N82 PolarHBondContact O-N 3.05Å
79D78.8Confident74.3Confident90 Ų90111.3 Ų111.348%0.48155%0.553SS.*Hα-helixtrans-68.3-39.2177-72-22.6000110.9K75 K76 N82 E83K75-D79 VanDerWaalsContact O-CG 3.29Å; K75-D79 PolarHBondContact O-N 2.99Å; K76-D79 PolarHBondContact O-N 2.57Å; D79-N82 PolarHBondContact O-N 3.46Å; D79-E83 WeakPolarHBondContact O-CB 3.4Å; D79-E83 PolarHBondContact O-N 3.13Å
80E83.3Confident73.8Confident137 Ų137113.3 Ų113.364%0.6457%0.573SS**Hα-helixtrans-67-41.4174.9-75.2179.2-174.100112.4K76 E77 E83 L84K76-E80 WeakPolarHBondContact O-CB 3.27Å; K76-E80 WeakPolarHBondContact O-CG 3.36Å; K76-E80 PolarHBondContact O-N 3.01Å; E77-E80 PolarHBondContact O-N 2.96Å; E80-E83 PolarHBondContact O-N 3.47Å; E80-L84 PolarHBondContact O-N 2.93Å
81L79Confident73.2Confident79 Ų79109.9 Ų109.941%0.41457%0.572SS.*Hα-helixtrans-63.2-44.3173.6-77.8164.7000111.2E77 E83 L84 F85E77-L81 HydrophobicContact CG-CD1 4.31Å; E77-L81 WeakPolarHBondContact O-CB 3.4Å; E77-L81 WeakPolarHBondContact O-CG 3.44Å; E77-L81 PolarHBondContact O-N 3.49Å; L81-E83 VanDerWaalsContact C-N 3.25Å; L81-E83 PolarHBondContact O-N 2.72Å; L81-L84 PolarHBondContact O-N 2.88Å; L81-F85 HydrophobicContact CD2-CE2 4.13Å; L81-F85 WeakPolarHBondContact O-CD2 3.48Å; L81-F85 PolarHBondContact O-N 3.36Å; L81-F85 VanDerWaalsContact O-N 3.1Å
82N75.5Confident72.8Confident100 Ų100105.1 Ų105.154%0.53555%0.552SS.*Hα-helixtrans-62.9-32.5175.4-97.6-36.6000112.6L78 D79 K86L78-N82 WeakPolarHBondContact O-CB 3.27Å; L78-N82 PolarHBondContact O-N 3.05Å; D79-N82 PolarHBondContact O-N 3.46Å; N82-K86 WeakPolarHBondContact O-CG 3.37Å; N82-K86 PolarHBondContact O-N 3.45Å
83E77.9Confident72.4Confident124 Ų124111.3 Ų111.358%0.57957%0.573SS**Hα-helixtrans-72.6-37.1176-170.7137.1-115.500112.6D79 E80 L81 K86D79-E83 WeakPolarHBondContact O-CB 3.4Å; D79-E83 PolarHBondContact O-N 3.13Å; E80-E83 PolarHBondContact O-N 3.47Å; L81-E83 VanDerWaalsContact C-N 3.25Å; L81-E83 PolarHBondContact O-N 2.72Å; E83-K86 HydrophobicContact CG-CD 4.49Å; E83-K86 PolarHBondContact O-N 3.07Å; E83-K86 IonicContact OE1-NZ 2.79Å; E83-K86 PolarHBondContact OE1-NZ 3.45Å
84L78.8Confident72.2Confident146 Ų146109.3 Ų109.376%0.76456%0.564SS**Hα-helixtrans-68.9-32.6177.9-149.378.1000112.7E80 L81E80-L84 PolarHBondContact O-N 2.93Å; L81-L84 PolarHBondContact O-N 2.88Å
85F71.6Confident71.8Confident156 Ų156106.7 Ų106.768%0.68456%0.563SS**THydrogen-bonded Turntrans-93.210179.1-70.5-69.8000114.4L81 P87L81-F85 HydrophobicContact CD2-CE2 4.13Å; L81-F85 WeakPolarHBondContact O-CD2 3.48Å; L81-F85 PolarHBondContact O-N 3.36Å; L81-F85 VanDerWaalsContact O-N 3.1Å; F85-P87 WeakPolarHBondContact O-CD 3.33Å; F85-P87 VanDerWaalsContact O-N 3.11Å
86K70.7Confident70.7Confident86 Ų86110.8 Ų110.837%0.37458%0.581SS.*  trans-63.4112.4174.2-74.1175.8-173.6165.10109.6N82 E83 V88N82-K86 WeakPolarHBondContact O-CG 3.37Å; N82-K86 PolarHBondContact O-N 3.45Å; E83-K86 HydrophobicContact CG-CD 4.49Å; E83-K86 PolarHBondContact O-N 3.07Å; E83-K86 IonicContact OE1-NZ 2.79Å; E83-K86 PolarHBondContact OE1-NZ 3.45Å; K86-V88 PolarHBondContact O-N 2.93Å
87P58.8Low70.3Confident82 Ų82108.9 Ų108.953%0.53260%0.596SS.*  trans-63.4131.3170.326.5-30.5000107.6F85 V89F85-P87 WeakPolarHBondContact O-CD 3.33Å; F85-P87 VanDerWaalsContact O-N 3.11Å; P87-V89 HydrophobicContact CG-CG2 4.29Å; P87-V89 PolarHBondContact O-N 2.84Å
88V57.2Low69.8Low148 Ų148106.4 Ų106.490%0.89759%0.589SS**  trans-66.783.6175.6179.90000108.1K86 A90K86-V88 PolarHBondContact O-N 2.93Å; V88-A90 PolarHBondContact O-N 3.36Å; V88-A90 VanDerWaalsContact O-N 3.08Å
89V59.5Low69.8Low51 Ų51107 Ų10731%0.30959%0.593SS.*  trans-76.598.6173.5-176.60000106.8P87 A91 A106P87-V89 HydrophobicContact CG-CG2 4.29Å; P87-V89 PolarHBondContact O-N 2.84Å; V89-A91 PolarHBondContact O-N 3.07Å; V89-A106 HydrophobicContact CG1-CB 4.18Å
90A59.3Low69.8Low85 Ų85104.8 Ų104.870%0.70258%0.583SS**  trans-51.4127.1166.700000108.6V88 Q92V88-A90 PolarHBondContact O-N 3.36Å; V88-A90 VanDerWaalsContact O-N 3.08Å; A90-Q92 PolarHBondContact O-N 3.01Å; A90-Q92 VanDerWaalsContact O-N 3.12Å
91A62.3Low69.8Low74 Ų74104.7 Ų104.761%0.61258%0.58SS**  trans-44.3121.6-174.700000111.5V89 K93V89-A91 PolarHBondContact O-N 3.07Å; A91-K93 PolarHBondContact O-N 3.5Å
92Q66.3Low69.9Low63 Ų63103.9 Ų103.929%0.29458%0.582SS.*  trans-57.2103.7-176.3-170.7174.7-9.100110.3A90 L104 F121A90-Q92 PolarHBondContact O-N 3.01Å; A90-Q92 VanDerWaalsContact O-N 3.12Å; Q92-L104 PolarHBondContact NE2-O 2.99Å; Q92-L104 VanDerWaalsContact NE2-O 3.14Å; Q92-L104 PolarHBondContact OE1-O 2.83Å; Q92-F121 HydrophobicContact CB-CZ 4.4Å
93K67.1Low70.1Confident199 Ų199100.9 Ų100.987%0.86557%0.567SS**  trans-88.1110.9176.4-70.3176.3-174.6174.80108.2A91A91-K93 PolarHBondContact O-N 3.5Å
94V71.4Confident70.5Confident47 Ų4796.3 Ų96.329%0.28555%0.546SS..  trans-82.4139.9173.4179.60000109.1V98 V103 F121V94-V98 HydrophobicContact CG1-CB 3.76Å; V94-V98 HydrophobicContact CG1-CG1 4.22Å; V94-V103 HydrophobicContact CG1-CG2 4.37Å; V94-V103 HydrophobicContact CG2-CB 4.5Å; V94-V103 HydrophobicContact CG2-CG2 4.2Å; V94-F121 HydrophobicContact CG2-CD1 4.45Å; V94-F121 HydrophobicContact CG2-CE1 3.6Å; V94-F121 HydrophobicContact CG2-CZ 4.43Å
95S69.9Low70.9Confident85 Ų8589.5 Ų89.559%0.59451%0.511SS*.  trans-65.1150.5177.750.50000111.5G97 V98S95-G97 PolarHBondContact O-N 2.87Å; S95-V98 PolarHBondContact O-N 3.31Å
96K55.3Low71.5Confident224 Ų22483.1 Ų83.197%0.97449%0.487SS*.THydrogen-bonded Turntrans-6799.9-179.1-65.3177.4-178.6178.80109.2
97G73.3Confident72Confident83 Ų8383.1 Ų83.186%0.85649%0.487SS*.THydrogen-bonded Turntrans140.5-12.4177.700000115.1S95S95-G97 PolarHBondContact O-N 2.87Å
98V74.8Confident73.4Confident66 Ų6682.4 Ų82.440%0.448%0.475SS..SBendtrans-102.7128.9176.2-178.30000109.8V94 S95 P100 V103V94-V98 HydrophobicContact CG1-CB 3.76Å; V94-V98 HydrophobicContact CG1-CG1 4.22Å; S95-V98 PolarHBondContact O-N 3.31Å; V98-P100 WeakPolarHBondContact O-CD 3.38Å; V98-V103 HydrophobicContact CG1-CG2 3.89Å
99D75.9Confident74.7Confident123 Ų12381.2 Ų81.266%0.65846%0.458SS*.  trans-60122.8177.5-78.4-55.7000110.6K101 S102D99-K101 PolarHBondContact O-N 3.33Å; D99-S102 PolarHBondContact O-N 2.52Å; D99-S102 PolarHBondContact O-OG 3.05Å
100P78.4Confident75.6Confident42 Ų4282.5 Ų82.527%0.27346%0.461SS..G310 helixtrans-58.1-25.5-176.1-26.234.5000113.5V98 V103 K120 F121V98-P100 WeakPolarHBondContact O-CD 3.38Å; P100-V103 PolarHBondContact O-N 3.01Å; P100-K120 CarbonylContact C-O 3.55Å; P100-K120 HydrophobicContact CB-CD 4.26Å; P100-K120 HydrophobicContact CB-CG 3.6Å; P100-K120 WeakPolarHBondContact CB-O 3.19Å; P100-K120 HydrophobicContact CG-CG 4.32Å; P100-F121 HydrophobicContact CB-CD1 4.47Å; P100-F121 HydrophobicContact CB-CE1 4.39Å; P100-F121 WeakPolarHBondContact O-CA 3.42Å; P100-F121 VanDerWaalsContact O-CD1 3.3Å; P100-F121 WeakPolarHBondContact O-CD1 3.31Å
101K82.7Confident76.8Confident135 Ų13581.8 Ų81.859%0.58746%0.462SS*.G310 helixtrans-82.9-10.6-179.1-155.7158.7-173.8158.70113.8D99 V103 K120 S122D99-K101 PolarHBondContact O-N 3.33Å; K101-V103 VanDerWaalsContact C-N 3.31Å; K101-K120 PolarHBondContact N-O 3.43Å; K101-S122 VanDerWaalsContact O-CB 3.22Å; K101-S122 WeakPolarHBondContact O-CB 3.48Å
102S80.6Confident77.7Confident63 Ų6382.2 Ų82.244%0.44145%0.451SS..G310 helixtrans-83.8-11.9169.769.50000112.6D99 M127D99-S102 PolarHBondContact O-N 2.52Å; D99-S102 PolarHBondContact O-OG 3.05Å; S102-M127 WeakPolarHBondContact O-CE 3.22Å
103V80.9Confident78.6Confident37 Ų3780.5 Ų80.522%0.22445%0.446CS..SBendtrans-99.2135.1-178.9-170.80000109.5V94 V98 P100 K101 F121 S122V94-V103 HydrophobicContact CG1-CG2 4.37Å; V94-V103 HydrophobicContact CG2-CB 4.5Å; V94-V103 HydrophobicContact CG2-CG2 4.2Å; V98-V103 HydrophobicContact CG1-CG2 3.89Å; P100-V103 PolarHBondContact O-N 3.01Å; K101-V103 VanDerWaalsContact C-N 3.31Å; V103-F121 HydrophobicContact CB-CD1 4.4Å; V103-S122 PolarHBondContact O-N 3.22Å; V103-S122 PolarHBondContact O-OG 2.91Å
104L85.9Confident79.5Confident28 Ų2877.7 Ų77.715%0.14745%0.445CS..BIsolated β-bridgetrans-67136.6177.2-82.8171.8000112.4Q92 A106 S122 D124 M127 E128Q92-L104 PolarHBondContact NE2-O 2.99Å; Q92-L104 VanDerWaalsContact NE2-O 3.14Å; Q92-L104 PolarHBondContact OE1-O 2.83Å; L104-A106 PolarHBondContact O-N 2.98Å; L104-S122 VanDerWaalsContact CA-OG 3.28Å; L104-S122 WeakPolarHBondContact CA-OG 3.42Å; L104-S122 WeakPolarHBondContact CD2-OG 3.33Å; L104-S122 PolarHBondContact N-OG 3.49Å; L104-D124 VanDerWaalsContact CD2-C 3.44Å; L104-D124 WeakPolarHBondContact CD2-O 3.44Å; L104-M127 HydrophobicContact CD1-CB 4.01Å; L104-M127 HydrophobicContact CG-CB 4.06Å; L104-E128 HydrophobicContact CD1-CB 3.46Å; L104-E128 VanDerWaalsContact CD1-CB 3.46Å; L104-E128 HydrophobicContact CD1-CG 4.35Å; L104-E128 VanDerWaalsContact CD1-N 3.28Å
105C87.1Confident80.1Confident2 Ų282.2 Ų82.21%0.01446%0.461CS..  trans-71.2114.2177.5-1750000110.3F107 F108 K109 C119 F121 S122C105-F107 PolarHBondContact O-N 3.35Å; C105-F108 HydrophobicContact CB-CB 3.6Å; C105-F108 PolarHBondContact O-N 3.21Å; C105-F108 PolarHBondContact SG-N 3.46Å; C105-K109 PolarHBondContact O-N 3.1Å; C105-C119 PolarHBondContact SG-SG 3.47Å; C105-F121 VanDerWaalsContact CA-CB 3.46Å; C105-F121 HydrophobicContact CB-CB 3.47Å; C105-F121 VanDerWaalsContact CB-CB 3.47Å; C105-F121 HydrophobicContact CB-CG 4.45Å; C105-S122 WeakPolarHBondContact CB-O 3.37Å; C105-S122 PolarHBondContact N-O 3.05Å
106A83.3Confident80.7Confident22 Ų2279.7 Ų79.718%0.18245%0.449CS..Hα-helixtrans-55.5-35.9175.400000113.3V89 L104 Q110V89-A106 HydrophobicContact CG1-CB 4.18Å; L104-A106 PolarHBondContact O-N 2.98Å; A106-Q110 WeakPolarHBondContact O-CG 3.14Å; A106-Q110 PolarHBondContact O-N 3.08Å
107F83.2Confident82Confident86 Ų8676 Ų7638%0.37744%0.439SS..Hα-helixtrans-73.1-29.4177.3-62.3-77.3000112.8C105 Q110 G111 Q112 C113C105-F107 PolarHBondContact O-N 3.35Å; F107-Q110 PolarHBondContact O-N 3.47Å; F107-G111 PolarHBondContact O-N 3.22Å; F107-Q112 CarbonylContact O-C 3.53Å; F107-Q112 PolarHBondContact O-N 2.97Å; F107-C113 HydrophobicContact CB-CB 4.03Å; F107-C113 PolarHBondContact O-N 3.26Å
108F86.6Confident82.5Confident67 Ų6781.6 Ų81.629%0.29444%0.44SS..Hα-helixtrans-75.2-39.6175.8-178.6-102.8000111.1C105 Q110 G111 C113 H123 L125C105-F108 HydrophobicContact CB-CB 3.6Å; C105-F108 PolarHBondContact O-N 3.21Å; C105-F108 PolarHBondContact SG-N 3.46Å; F108-Q110 PolarHBondContact O-N 3.02Å; F108-G111 PolarHBondContact O-N 2.81Å; F108-C113 HydrophobicContact CB-CB 3.91Å; F108-C113 HydrophobicContact CD2-CB 4.39Å; F108-H123 WeakPolarHBondContact CB-CD2 3.35Å; F108-H123 VanDerWaalsContact CD1-CA 3.45Å; F108-H123 HydrophobicContact CD1-CB 3.69Å; F108-H123 AromaticContact CD1-CG 3.86Å; F108-H123 HydrophobicContact CD2-CB 3.82Å; F108-H123 AromaticContact CD2-CD2 3.61Å; F108-H123 AromaticContact CD2-CE1 3.48Å; F108-H123 VanDerWaalsContact CD2-CE1 3.48Å; F108-H123 WeakPolarHBondContact CD2-CE1 3.43Å; F108-H123 AromaticContact CD2-CG 3.3Å; F108-H123 AromaticContact CD2-ND1 3.23Å; F108-H123 WeakPolarHBondContact CD2-ND1 3.48Å; F108-H123 AromaticContact CD2-NE2 3.73Å; F108-H123 VanDerWaalsContact CE1-C 3.48Å; F108-H123 HydrophobicContact CE1-CB 3.63Å; F108-H123 WeakPolarHBondContact CE1-O 3.44Å; F108-H123 HydrophobicContact CE2-CB 3.74Å; F108-H123 AromaticContact CE2-CG 3.66Å; F108-H123 AromaticContact CE2-ND1 3.52Å; F108-H123 HydrophobicContact CG-CB 3.78Å; F108-H123 AromaticContact CG-CD2 3.36Å; F108-H123 WeakPolarHBondContact CG-CD2 3.29Å; F108-H123 AromaticContact CG-CG 3.4Å; F108-H123 AromaticContact CG-ND1 3.83Å; F108-H123 AromaticContact CG-NE2 3.79Å; F108-H123 HydrophobicContact CZ-CB 3.64Å; F108-H123 WeakPolarHBondContact CZ-O 3.39Å; F108-L125 HydrophobicContact CE1-CD2 4.5Å; F108-L125 HydrophobicContact CE1-CG 4.18Å
109K84.3Confident83Confident123 Ų12378.8 Ų78.854%0.53542%0.424SS..Hα-helixtrans-55.2-34.1171.6-174.9179179.5179.50112.1C105 E128C105-K109 PolarHBondContact O-N 3.1Å; K109-E128 WeakPolarHBondContact CD-OE1 3.44Å; K109-E128 WeakPolarHBondContact CE-OE1 3.48Å; K109-E128 WeakPolarHBondContact CE-OE2 3.41Å; K109-E128 VanDerWaalsContact NZ-CD 3.34Å; K109-E128 IonicContact NZ-OE1 3.84Å; K109-E128 PolarHBondContact NZ-OE1 2.73Å; K109-E128 IonicContact NZ-OE2 3.16Å; K109-E128 PolarHBondContact NZ-OE2 2.95Å
110Q79.8Confident83.5Confident78 Ų7879.6 Ų79.636%0.36442%0.421SS..THydrogen-bonded Turntrans-88.91.7176.9-66.9172.2-3.400113.8A106 F107 F108 Q112A106-Q110 WeakPolarHBondContact O-CG 3.14Å; A106-Q110 PolarHBondContact O-N 3.08Å; F107-Q110 PolarHBondContact O-N 3.47Å; F108-Q110 PolarHBondContact O-N 3.02Å; Q110-Q112 PolarHBondContact O-N 3.33Å
111G83.2Confident83.9Confident70 Ų7079.3 Ų79.372%0.72242%0.416SS*.THydrogen-bonded Turntrans70.411.8-178.800000115.2F107 F108F107-G111 PolarHBondContact O-N 3.22Å; F108-G111 PolarHBondContact O-N 2.81Å
112Q82.1Confident84.1Confident84 Ų8473.4 Ų73.439%0.39339%0.391SS..  trans-107.96.6-175.1-64.5-177.34.500113.5F107 Q110 T114F107-Q112 CarbonylContact O-C 3.53Å; F107-Q112 PolarHBondContact O-N 2.97Å; Q110-Q112 PolarHBondContact O-N 3.33Å; Q112-T114 PolarHBondContact O-N 2.93Å
113C84.9Confident84.3Confident27 Ų2772.2 Ų72.218%0.18238%0.379CS..  trans-75.3108.4179.5-170.60000111.9F107 F108 K115 C119 H123F107-C113 HydrophobicContact CB-CB 4.03Å; F107-C113 PolarHBondContact O-N 3.26Å; F108-C113 HydrophobicContact CB-CB 3.91Å; F108-C113 HydrophobicContact CD2-CB 4.39Å; C113-K115 VanDerWaalsContact C-N 3.26Å; C113-K115 PolarHBondContact O-N 3.48Å; C113-C119 VanDerWaalsContact SG-SG 3.68Å; C113-H123 VanDerWaalsContact SG-CE1 3.51Å; C113-H123 PolarHBondContact SG-NE2 3.28Å
114T85.1Confident84.3Confident139 Ų13974.5 Ų74.585%0.85339%0.39SS*.THydrogen-bonded Turntrans-80.6-4.1175.956.10000113.9Q112Q112-T114 PolarHBondContact O-N 2.93Å
115K83.9Confident84Confident143 Ų14378.2 Ų78.262%0.62241%0.409SS*.THydrogen-bonded Turntrans-90.7-10.2-172.3-62.2179.4-177.8175.90114C113 K118 C119C113-K115 VanDerWaalsContact C-N 3.26Å; C113-K115 PolarHBondContact O-N 3.48Å; K115-K118 PolarHBondContact O-N 3.33Å; K115-C119 HydrophobicContact CB-CB 3.96Å; K115-C119 PolarHBondContact O-N 3.03Å
116G82.8Confident83.4Confident32 Ų3281.5 Ų81.533%0.3343%0.433SS..G310 helixtrans49.1-140.3178.500000112.7K118 C119 H123G116-K118 PolarHBondContact O-N 3.08Å; G116-K118 VanDerWaalsContact O-N 3.12Å; G116-C119 WeakPolarHBondContact O-CB 3.44Å; G116-C119 PolarHBondContact O-N 2.93Å; G116-H123 VanDerWaalsContact C-CE1 3.47Å; G116-H123 PolarHBondContact O-CE1 2.99Å; G116-H123 PolarHBondContact O-ND1 3Å
117D82.4Confident82.7Confident145 Ų14583.6 Ų83.678%0.77544%0.439SS*.G310 helixtrans-67.5-12.8-178.2-55-42.1000114.7C119D117-C119 VanDerWaalsContact C-N 3.25Å
118K84.4Confident81.7Confident201 Ų20183.1 Ų83.187%0.87444%0.438SS*.G310 helixtrans-873.2174.1-59.8-178.8-174.8177.90112.1K115 G116K115-K118 PolarHBondContact O-N 3.33Å; G116-K118 PolarHBondContact O-N 3.08Å; G116-K118 VanDerWaalsContact O-N 3.12Å
119C85.9Confident80.6Confident8 Ų890 Ų905%0.05446%0.462CS..  trans-61.2140.7174.9-166.90000110.7C105 C113 K115 G116 D117 F121 H123C105-C119 PolarHBondContact SG-SG 3.47Å; C113-C119 VanDerWaalsContact SG-SG 3.68Å; K115-C119 HydrophobicContact CB-CB 3.96Å; K115-C119 PolarHBondContact O-N 3.03Å; G116-C119 WeakPolarHBondContact O-CB 3.44Å; G116-C119 PolarHBondContact O-N 2.93Å; D117-C119 VanDerWaalsContact C-N 3.25Å; C119-F121 WeakPolarHBondContact CB-O 3.49Å; C119-F121 PolarHBondContact O-N 2.98Å; C119-H123 WeakPolarHBondContact CB-NE2 3.42Å
120K85.8Confident79.4Confident140 Ų14093.2 Ų93.261%0.60948%0.476SS*.SBendtrans-64.3-22.9176.2-178.7171.5-179.7179.50111.9P100 K101P100-K120 CarbonylContact C-O 3.55Å; P100-K120 HydrophobicContact CB-CD 4.26Å; P100-K120 HydrophobicContact CB-CG 3.6Å; P100-K120 WeakPolarHBondContact CB-O 3.19Å; P100-K120 HydrophobicContact CG-CG 4.32Å; K101-K120 PolarHBondContact N-O 3.43Å
121F87Confident78.2Confident35 Ų3594.5 Ų94.515%0.15449%0.493CS..SBendtrans-110.7153.2-179.1-56.9-70000110.1Q92 V94 P100 V103 C105 C119Q92-F121 HydrophobicContact CB-CZ 4.4Å; V94-F121 HydrophobicContact CG2-CD1 4.45Å; V94-F121 HydrophobicContact CG2-CE1 3.6Å; V94-F121 HydrophobicContact CG2-CZ 4.43Å; P100-F121 HydrophobicContact CB-CD1 4.47Å; P100-F121 HydrophobicContact CB-CE1 4.39Å; P100-F121 WeakPolarHBondContact O-CA 3.42Å; P100-F121 VanDerWaalsContact O-CD1 3.3Å; P100-F121 WeakPolarHBondContact O-CD1 3.31Å; V103-F121 HydrophobicContact CB-CD1 4.4Å; C105-F121 VanDerWaalsContact CA-CB 3.46Å; C105-F121 HydrophobicContact CB-CB 3.47Å; C105-F121 VanDerWaalsContact CB-CB 3.47Å; C105-F121 HydrophobicContact CB-CG 4.45Å; C119-F121 WeakPolarHBondContact CB-O 3.49Å; C119-F121 PolarHBondContact O-N 2.98Å
122S87.5Confident77Confident11 Ų1199.6 Ų99.68%0.07750%0.498CS..BIsolated β-bridgetrans-68.8151.2179.7540000113.1K101 V103 L104 C105 M127K101-S122 VanDerWaalsContact O-CB 3.22Å; K101-S122 WeakPolarHBondContact O-CB 3.48Å; V103-S122 PolarHBondContact O-N 3.22Å; V103-S122 PolarHBondContact O-OG 2.91Å; L104-S122 VanDerWaalsContact CA-OG 3.28Å; L104-S122 WeakPolarHBondContact CA-OG 3.42Å; L104-S122 WeakPolarHBondContact CD2-OG 3.33Å; L104-S122 PolarHBondContact N-OG 3.49Å; C105-S122 WeakPolarHBondContact CB-O 3.37Å; C105-S122 PolarHBondContact N-O 3.05Å; S122-M127 WeakPolarHBondContact OG-CE 3.46Å
123H85Confident75.8Confident38 Ų38105.5 Ų105.518%0.17652%0.522CS..  trans-110.521174.4-72.5-170.4000111.7F108 C113 G116 C119F108-H123 WeakPolarHBondContact CB-CD2 3.35Å; F108-H123 VanDerWaalsContact CD1-CA 3.45Å; F108-H123 HydrophobicContact CD1-CB 3.69Å; F108-H123 AromaticContact CD1-CG 3.86Å; F108-H123 HydrophobicContact CD2-CB 3.82Å; F108-H123 AromaticContact CD2-CD2 3.61Å; F108-H123 AromaticContact CD2-CE1 3.48Å; F108-H123 VanDerWaalsContact CD2-CE1 3.48Å; F108-H123 WeakPolarHBondContact CD2-CE1 3.43Å; F108-H123 AromaticContact CD2-CG 3.3Å; F108-H123 AromaticContact CD2-ND1 3.23Å; F108-H123 WeakPolarHBondContact CD2-ND1 3.48Å; F108-H123 AromaticContact CD2-NE2 3.73Å; F108-H123 VanDerWaalsContact CE1-C 3.48Å; F108-H123 HydrophobicContact CE1-CB 3.63Å; F108-H123 WeakPolarHBondContact CE1-O 3.44Å; F108-H123 HydrophobicContact CE2-CB 3.74Å; F108-H123 AromaticContact CE2-CG 3.66Å; F108-H123 AromaticContact CE2-ND1 3.52Å; F108-H123 HydrophobicContact CG-CB 3.78Å; F108-H123 AromaticContact CG-CD2 3.36Å; F108-H123 WeakPolarHBondContact CG-CD2 3.29Å; F108-H123 AromaticContact CG-CG 3.4Å; F108-H123 AromaticContact CG-ND1 3.83Å; F108-H123 AromaticContact CG-NE2 3.79Å; F108-H123 HydrophobicContact CZ-CB 3.64Å; F108-H123 WeakPolarHBondContact CZ-O 3.39Å; C113-H123 VanDerWaalsContact SG-CE1 3.51Å; C113-H123 PolarHBondContact SG-NE2 3.28Å; G116-H123 VanDerWaalsContact C-CE1 3.47Å; G116-H123 PolarHBondContact O-CE1 2.99Å; G116-H123 PolarHBondContact O-ND1 3Å; C119-H123 WeakPolarHBondContact CB-NE2 3.42Å
124D81.1Confident74.5Confident86 Ų86110.1 Ų110.146%0.4654%0.536SS..  trans-97.298.6-179-179.38.5000111.1L104 S126 M127L104-D124 VanDerWaalsContact CD2-C 3.44Å; L104-D124 WeakPolarHBondContact CD2-O 3.44Å; D124-S126 PolarHBondContact O-N 3.49Å; D124-S126 WeakPolarHBondContact OD1-CB 3.47Å; D124-S126 PolarHBondContact OD1-N 3.49Å; D124-M127 HydrophobicContact CB-CE 4.47Å; D124-M127 HydrophobicContact CB-CG 4.4Å; D124-M127 PolarHBondContact O-N 3.25Å
125L78.9Confident73.3Confident105 Ų105106.1 Ų106.155%0.5551%0.513SS..G310 helixtrans-56.5-19.2179.2-68.3162.7000113.3F108 M127 E128F108-L125 HydrophobicContact CE1-CD2 4.5Å; F108-L125 HydrophobicContact CE1-CG 4.18Å; L125-M127 PolarHBondContact O-N 2.81Å; L125-E128 PolarHBondContact O-N 2.67Å
126S75.3Confident72.5Confident72 Ų72105.9 Ų105.950%0.50352%0.524SS..G310 helixtrans-65-25.2176.4-161.80000112.6D124 E128D124-S126 PolarHBondContact O-N 3.49Å; D124-S126 WeakPolarHBondContact OD1-CB 3.47Å; D124-S126 PolarHBondContact OD1-N 3.49Å; S126-E128 VanDerWaalsContact C-N 3.3Å; S126-E128 PolarHBondContact O-N 2.93Å
127M67.6Low71.7Confident66 Ų66114.8 Ų114.833%0.32555%0.549SS..G310 helixtrans-75.3-14179.7-63.1-154.6-65.800114.1S102 L104 S122 D124 L125S102-M127 WeakPolarHBondContact O-CE 3.22Å; L104-M127 HydrophobicContact CD1-CB 4.01Å; L104-M127 HydrophobicContact CG-CB 4.06Å; S122-M127 WeakPolarHBondContact OG-CE 3.46Å; D124-M127 HydrophobicContact CB-CE 4.47Å; D124-M127 HydrophobicContact CB-CG 4.4Å; D124-M127 PolarHBondContact O-N 3.25Å; L125-M127 PolarHBondContact O-N 2.81Å
128E63.1Low70.7Confident76 Ų76110.9 Ų110.936%0.35553%0.53SS..THydrogen-bonded Turntrans-80.3-30.9179.6-166.1150.1-134.600112.9L104 K109 L125 S126 K130 C131L104-E128 HydrophobicContact CD1-CB 3.46Å; L104-E128 VanDerWaalsContact CD1-CB 3.46Å; L104-E128 HydrophobicContact CD1-CG 4.35Å; L104-E128 VanDerWaalsContact CD1-N 3.28Å; K109-E128 WeakPolarHBondContact CD-OE1 3.44Å; K109-E128 WeakPolarHBondContact CE-OE1 3.48Å; K109-E128 WeakPolarHBondContact CE-OE2 3.41Å; K109-E128 VanDerWaalsContact NZ-CD 3.34Å; K109-E128 IonicContact NZ-OE1 3.84Å; K109-E128 PolarHBondContact NZ-OE1 2.73Å; K109-E128 IonicContact NZ-OE2 3.16Å; K109-E128 PolarHBondContact NZ-OE2 2.95Å; L125-E128 PolarHBondContact O-N 2.67Å; S126-E128 VanDerWaalsContact C-N 3.3Å; S126-E128 PolarHBondContact O-N 2.93Å; E128-K130 PolarHBondContact O-N 3.09Å; E128-C131 PolarHBondContact O-N 3.3Å; E128-C131 VanDerWaalsContact O-N 3.16Å
129R61.7Low69.8Low212 Ų212103.5 Ų103.580%0.850%0.5SS*.THydrogen-bonded Turntrans-65.1-13.3-177.4-63.3-173.1-171.8-1771.4113.5
130K59Low68.6Low189 Ų189108 Ų10882%0.82252%0.521SS*.THydrogen-bonded Turntrans-89.62.6179.3-65.1179.5-179.5176.70113.8E128E128-K130 PolarHBondContact O-N 3.09Å
131C54.8Low67.6Low106 Ų106109.5 Ų109.572%0.71652%0.522SS*.  trans-131.428.1-175.3-1540000113.1E128 K133E128-C131 PolarHBondContact O-N 3.3Å; E128-C131 VanDerWaalsContact O-N 3.16Å; C131-K133 PolarHBondContact O-N 3.17Å
132E58.8Low66.5Low177 Ų177112.4 Ų112.483%0.82754%0.539SS*.  trans-60.4131.7168.4-139.3162.9-177.700108.6R134E132-R134 PolarHBondContact O-N 3.04Å
133K56.8Low65.2Low207 Ų207115.7 Ų115.790%0.955%0.554SS**  trans-64.796.4-165.9-71.2171.9-178.8166.60110.3C131 S135C131-K133 PolarHBondContact O-N 3.17Å; K133-S135 PolarHBondContact O-N 3.2Å
134R57.5Low64.1Low124 Ų124118.8 Ų118.847%0.46857%0.572SS.*  trans-59125.3171.3-161.2174.3-162.9-94.837.9109.6E132 V136 V138 E140E132-R134 PolarHBondContact O-N 3.04Å; R134-V136 PolarHBondContact O-N 2.81Å; R134-V138 PolarHBondContact NH1-O 3.37Å; R134-E140 IonicContact CZ-OE1 2.67Å; R134-E140 IonicContact CZ-OE2 2.63Å; R134-E140 IonicContact NE-OE1 2.97Å; R134-E140 PolarHBondContact NE-OE1 3.41Å; R134-E140 IonicContact NE-OE2 2.97Å; R134-E140 PolarHBondContact NE-OE2 3.36Å; R134-E140 IonicContact NH2-OE1 2.75Å; R134-E140 IonicContact NH2-OE2 3.84Å; R134-E140 PolarHBondContact NH2-OE2 3.08Å
135S59.6Low63.1Low55 Ų55120.4 Ų120.439%0.38558%0.58SS.*  trans-59.8128.7174.3164.80000109.7K133 Y137 V138K133-S135 PolarHBondContact O-N 3.2Å; S135-Y137 PolarHBondContact O-N 3.03Å; S135-Y137 PolarHBondContact OG-N 3.16Å; S135-Y137 VanDerWaalsContact OG-N 3.15Å; S135-V138 PolarHBondContact O-N 3.43Å; S135-V138 PolarHBondContact OG-N 3.22Å
136V67.2Low62.2Low138 Ų138122.6 Ų122.684%0.83659%0.587SS**THydrogen-bonded Turntrans-64.2-17.8173.2172.20000111.8R134R134-V136 PolarHBondContact O-N 2.81Å
137Y65.4Low61.4Low219 Ų219125 Ų12586%0.85959%0.588SS**THydrogen-bonded Turntrans-103.80.4-176.5-71.5-84.1000113.8S135S135-Y137 PolarHBondContact O-N 3.03Å; S135-Y137 PolarHBondContact OG-N 3.16Å; S135-Y137 VanDerWaalsContact OG-N 3.15Å
138V61.6Low61Low64 Ų64124.9 Ų124.939%0.38859%0.589SS.*  trans-117.9108.7173.5-179.40000107.8R134 S135 E143R134-V138 PolarHBondContact NH1-O 3.37Å; S135-V138 PolarHBondContact O-N 3.43Å; S135-V138 PolarHBondContact OG-N 3.22Å; V138-E143 HydrophobicContact CG1-CG 4.3Å; V138-E143 VanDerWaalsContact CG1-OE1 3.28Å; V138-E143 WeakPolarHBondContact CG1-OE1 3.37Å
139D66.1Low60.7Low46 Ų46124.6 Ų124.625%0.24659%0.592CS.*  trans-84.8116.5174.3-161-25000108.1R141 D142D139-R141 VanDerWaalsContact CG-NE 3.32Å; D139-R141 PolarHBondContact O-N 3.22Å; D139-R141 WeakPolarHBondContact OD1-CB 3.47Å; D139-R141 WeakPolarHBondContact OD1-CG 3.49Å; D139-R141 IonicContact OD1-CZ 3.5Å; D139-R141 PolarHBondContact OD1-N 3.3Å; D139-R141 VanDerWaalsContact OD1-N 3.17Å; D139-R141 IonicContact OD1-NE 2.7Å; D139-R141 PolarHBondContact OD1-NE 3.03Å; D139-R141 IonicContact OD1-NH2 3.85Å; D139-R141 IonicContact OD2-CZ 2.92Å; D139-R141 IonicContact OD2-NE 2.58Å; D139-R141 PolarHBondContact OD2-NE 3.1Å; D139-R141 IonicContact OD2-NH2 3.34Å; D139-R141 PolarHBondContact OD2-NH2 2.94Å; D139-D142 PolarHBondContact O-N 2.93Å
140E61.3Low60.6Low102 Ų102116.2 Ų116.248%0.47756%0.563SS.*Hα-helixtrans-54.3-21.4174-73.7160.8-172.200112.1R134 D142 E143 D144R134-E140 IonicContact CZ-OE1 2.67Å; R134-E140 IonicContact CZ-OE2 2.63Å; R134-E140 IonicContact NE-OE1 2.97Å; R134-E140 PolarHBondContact NE-OE1 3.41Å; R134-E140 IonicContact NE-OE2 2.97Å; R134-E140 PolarHBondContact NE-OE2 3.36Å; R134-E140 IonicContact NH2-OE1 2.75Å; R134-E140 IonicContact NH2-OE2 3.84Å; R134-E140 PolarHBondContact NH2-OE2 3.08Å; E140-D142 VanDerWaalsContact C-N 3.26Å; E140-D142 PolarHBondContact O-N 3.46Å; E140-E143 PolarHBondContact O-N 3.49Å; E140-D144 WeakPolarHBondContact O-CB 3.49Å; E140-D144 VanDerWaalsContact O-CG 3.3Å; E140-D144 PolarHBondContact O-N 3.5Å
141R65.1Low60.9Low172 Ų172114.6 Ų114.665%0.64956%0.558SS**Hα-helixtrans-62.1-32.9172.7-66.4178.1-72.2179.80.4112.9D139 L145D139-R141 VanDerWaalsContact CG-NE 3.32Å; D139-R141 PolarHBondContact O-N 3.22Å; D139-R141 WeakPolarHBondContact OD1-CB 3.47Å; D139-R141 WeakPolarHBondContact OD1-CG 3.49Å; D139-R141 IonicContact OD1-CZ 3.5Å; D139-R141 PolarHBondContact OD1-N 3.3Å; D139-R141 VanDerWaalsContact OD1-N 3.17Å; D139-R141 IonicContact OD1-NE 2.7Å; D139-R141 PolarHBondContact OD1-NE 3.03Å; D139-R141 IonicContact OD1-NH2 3.85Å; D139-R141 IonicContact OD2-CZ 2.92Å; D139-R141 IonicContact OD2-NE 2.58Å; D139-R141 PolarHBondContact OD2-NE 3.1Å; D139-R141 IonicContact OD2-NH2 3.34Å; D139-R141 PolarHBondContact OD2-NH2 2.94Å; R141-L145 VanDerWaalsContact O-CB 3.29Å; R141-L145 WeakPolarHBondContact O-CB 3.5Å; R141-L145 VanDerWaalsContact O-CD1 3.26Å; R141-L145 WeakPolarHBondContact O-CD1 3.3Å; R141-L145 WeakPolarHBondContact O-CG 3.4Å; R141-L145 PolarHBondContact O-N 3.39Å
142D62.8Low61.4Low95 Ų95114.7 Ų114.751%0.50855%0.552SS.*Hα-helixtrans-76.1-40177.7-67.2-26.3000111D139 E140 D144 L145 E146D139-D142 PolarHBondContact O-N 2.93Å; E140-D142 VanDerWaalsContact C-N 3.26Å; E140-D142 PolarHBondContact O-N 3.46Å; D142-D144 PolarHBondContact O-N 3.33Å; D142-L145 PolarHBondContact O-N 2.87Å; D142-E146 WeakPolarHBondContact O-CB 3.33Å; D142-E146 WeakPolarHBondContact O-CG 3.49Å; D142-E146 PolarHBondContact O-N 3.28Å
143E61.2Low62Low81 Ų81108.1 Ų108.138%0.37952%0.519SS..Hα-helixtrans-65.7-37.4173.7-68.1-173.4-168.300112.6V138 E140 K147V138-E143 HydrophobicContact CG1-CG 4.3Å; V138-E143 VanDerWaalsContact CG1-OE1 3.28Å; V138-E143 WeakPolarHBondContact CG1-OE1 3.37Å; E140-E143 PolarHBondContact O-N 3.49Å; E143-K147 WeakPolarHBondContact O-CB 3.44Å; E143-K147 WeakPolarHBondContact O-CD 3.31Å; E143-K147 VanDerWaalsContact O-CG 3.25Å; E143-K147 WeakPolarHBondContact O-CG 3.36Å; E143-K147 PolarHBondContact O-N 2.91Å; E143-K147 VanDerWaalsContact O-N 3.09Å; E143-K147 IonicContact OE2-NZ 3.26Å
144D60.8Low62.7Low103 Ų103104.1 Ų104.155%0.55151%0.508SS*.Hα-helixtrans-68.6-36.5174-74-22.3000111E140 D142 K147 D148E140-D144 WeakPolarHBondContact O-CB 3.49Å; E140-D144 VanDerWaalsContact O-CG 3.3Å; E140-D144 PolarHBondContact O-N 3.5Å; D142-D144 PolarHBondContact O-N 3.33Å; D144-K147 PolarHBondContact O-N 3.46Å; D144-D148 VanDerWaalsContact O-CB 3.3Å; D144-D148 WeakPolarHBondContact O-CB 3.3Å; D144-D148 PolarHBondContact O-N 3.18Å
145L59.5Low63.3Low120 Ų120103.4 Ų103.463%0.62851%0.51SS*.Hα-helixtrans-68.4-37.1174.4-81.5162.9000112.9R141 D142 D148R141-L145 VanDerWaalsContact O-CB 3.29Å; R141-L145 WeakPolarHBondContact O-CB 3.5Å; R141-L145 VanDerWaalsContact O-CD1 3.26Å; R141-L145 WeakPolarHBondContact O-CD1 3.3Å; R141-L145 WeakPolarHBondContact O-CG 3.4Å; R141-L145 PolarHBondContact O-N 3.39Å; D142-L145 PolarHBondContact O-N 2.87Å; L145-D148 PolarHBondContact O-N 2.9Å
146E60.5Low64.1Low150 Ų150109 Ų10970%0.70153%0.527SS*.Hα-helixtrans-71.8-30.3176.1-75.3180169.400112.4D142D142-E146 WeakPolarHBondContact O-CB 3.33Å; D142-E146 WeakPolarHBondContact O-CG 3.49Å; D142-E146 PolarHBondContact O-N 3.28Å
147K57.9Low64.5Low124 Ų124105.9 Ų105.954%0.53950%0.502SS..Hα-helixtrans-81.7-14.9173.4-69167.3-166.7158.70113.2E143 D144 T149 N152E143-K147 WeakPolarHBondContact O-CB 3.44Å; E143-K147 WeakPolarHBondContact O-CD 3.31Å; E143-K147 VanDerWaalsContact O-CG 3.25Å; E143-K147 WeakPolarHBondContact O-CG 3.36Å; E143-K147 PolarHBondContact O-N 2.91Å; E143-K147 VanDerWaalsContact O-N 3.09Å; E143-K147 IonicContact OE2-NZ 3.26Å; D144-K147 PolarHBondContact O-N 3.46Å; K147-T149 PolarHBondContact O-N 2.78Å; K147-N152 PolarHBondContact O-ND2 3.5Å
148D59.2Low65Low62 Ų6296.2 Ų96.233%0.33247%0.465SS..  trans-86.439178.1-144.29.4000112.7D144 L145 W153 K157D144-D148 VanDerWaalsContact O-CB 3.3Å; D144-D148 WeakPolarHBondContact O-CB 3.3Å; D144-D148 PolarHBondContact O-N 3.18Å; L145-D148 PolarHBondContact O-N 2.9Å; D148-W153 PolarHBondContact O-NE1 3.03Å; D148-W153 PolarHBondContact OD1-NE1 2.87Å; D148-K157 WeakPolarHBondContact OD1-CE 3.49Å; D148-K157 IonicContact OD1-NZ 3.06Å; D148-K157 PolarHBondContact OD1-NZ 3.23Å; D148-K157 IonicContact OD2-NZ 3.66Å
149T56.9Low65.7Low70 Ų7097.5 Ų97.543%0.42947%0.467SS..  trans-71.8143.3172.842.60000110.5K147 E151 N152K147-T149 PolarHBondContact O-N 2.78Å; T149-E151 PolarHBondContact O-N 3.2Å; T149-N152 PolarHBondContact O-N 3.41Å
150M61Low66.3Low36 Ų36101.6 Ų101.618%0.17749%0.485CS..G310 helixtrans-55.4-20.4-173.2-177.5165.1-176.800114.3N152 W153 L158 I187 N190M150-N152 PolarHBondContact O-N 3.14Å; M150-W153 PolarHBondContact O-N 3Å; M150-L158 HydrophobicContact CE-CD1 4.36Å; M150-I187 HydrophobicContact CE-CG2 4.45Å; M150-N190 HydrophobicContact CG-CB 4.47Å; M150-N190 WeakPolarHBondContact SD-CA 3.39Å; M150-N190 HydrophobicContact SD-CB 4.13Å
151E64.6Low67.1Low156 Ų15697.9 Ų97.973%0.72947%0.469SS*.G310 helixtrans-67.8-22.3176.5-65.3177.2172.800113T149T149-E151 PolarHBondContact O-N 3.2Å
152N64.6Low67.6Low108 Ų10890 Ų9058%0.57844%0.44SS*.G310 helixtrans-98.210.5176.3-70.2-21.5000113K147 T149 M150K147-N152 PolarHBondContact O-ND2 3.5Å; T149-N152 PolarHBondContact O-N 3.41Å; M150-N152 PolarHBondContact O-N 3.14Å
153W73Confident68.3Low38 Ų3889.9 Ų89.914%0.14444%0.439CS..  trans-94.8107.6-179.1-72.717.9000110.9D148 M150 K157 L158 V161D148-W153 PolarHBondContact O-NE1 3.03Å; D148-W153 PolarHBondContact OD1-NE1 2.87Å; M150-W153 PolarHBondContact O-N 3Å; W153-K157 HydrophobicContact CG-CD 4.09Å; W153-K157 HydrophobicContact CG-CG 4.39Å; W153-L158 HydrophobicContact CE3-CD1 4.26Å; W153-V161 HydrophobicContact CE3-CG2 4.44Å; W153-V161 HydrophobicContact CH2-CB 4.38Å; W153-V161 HydrophobicContact CH2-CG1 3.98Å; W153-V161 HydrophobicContact CH2-CG2 3.97Å; W153-V161 HydrophobicContact CZ3-CB 4Å; W153-V161 HydrophobicContact CZ3-CG1 3.84Å; W153-V161 HydrophobicContact CZ3-CG2 3.9Å
154D70.3Confident69.1Low123 Ų12393.6 Ų93.666%0.65845%0.454SS*.  trans-61.1154.6168.8-61.1-40.4000111.4K156 K157 L158D154-K156 PolarHBondContact O-N 2.71Å; D154-K157 WeakPolarHBondContact O-CA 3.41Å; D154-K157 WeakPolarHBondContact O-CB 3.39Å; D154-K157 PolarHBondContact O-N 3.37Å; D154-L158 PolarHBondContact O-N 2.65Å
155E70.9Confident69.6Low109 Ų10992.2 Ų92.251%0.50944%0.443SS..Hα-helixtrans-49.3-38.2179-172.9168.9-144.800112.4L158 E159E155-L158 PolarHBondContact O-N 2.91Å; E155-E159 WeakPolarHBondContact O-CG 3.35Å; E155-E159 PolarHBondContact O-N 2.69Å
156K75.8Confident69.9Low172 Ų17287 Ų8775%0.74842%0.416SS*.Hα-helixtrans-66.7-37.2176.4-65.7177.3-176.9168.80113.6D154 E160D154-K156 PolarHBondContact O-N 2.71Å; K156-E160 PolarHBondContact O-N 2.7Å
157K76.6Confident69.9Low73 Ų7380.7 Ų80.732%0.31739%0.391SS..Hα-helixtrans-73.7-37.8178.2-173173.9176.3-179.50110.6D148 W153 D154 E160 V161D148-K157 WeakPolarHBondContact OD1-CE 3.49Å; D148-K157 IonicContact OD1-NZ 3.06Å; D148-K157 PolarHBondContact OD1-NZ 3.23Å; D148-K157 IonicContact OD2-NZ 3.66Å; W153-K157 HydrophobicContact CG-CD 4.09Å; W153-K157 HydrophobicContact CG-CG 4.39Å; D154-K157 WeakPolarHBondContact O-CA 3.41Å; D154-K157 WeakPolarHBondContact O-CB 3.39Å; D154-K157 PolarHBondContact O-N 3.37Å; K157-E160 PolarHBondContact O-N 3.41Å; K157-V161 WeakPolarHBondContact O-CG2 3.35Å; K157-V161 PolarHBondContact O-N 3.24Å
158L76.1Confident70.1Confident16 Ų1681.2 Ų81.28%0.08440%0.395CS..Hα-helixtrans-60.9-47171.7-178.263.1000111M150 W153 D154 E155 E160 V161 V162 Y192 L211M150-L158 HydrophobicContact CE-CD1 4.36Å; W153-L158 HydrophobicContact CE3-CD1 4.26Å; D154-L158 PolarHBondContact O-N 2.65Å; E155-L158 PolarHBondContact O-N 2.91Å; L158-E160 VanDerWaalsContact C-N 3.32Å; L158-E160 PolarHBondContact O-N 3.27Å; L158-V161 PolarHBondContact O-N 3.38Å; L158-V162 HydrophobicContact CD1-CG2 4.26Å; L158-V162 HydrophobicContact CG-CG2 4.39Å; L158-V162 WeakPolarHBondContact O-CB 3.46Å; L158-V162 WeakPolarHBondContact O-CG2 3.4Å; L158-V162 PolarHBondContact O-N 3.35Å; L158-Y192 HydrophobicContact CD1-CD1 3.64Å; L158-Y192 HydrophobicContact CD1-CE1 3.88Å; L158-L211 HydrophobicContact CD2-CD1 4.2Å
159E74.5Confident70Confident92 Ų9279.7 Ų79.743%0.4339%0.391SS..Hα-helixtrans-58.5-41.7174.5-76.5-176.2170.100112.5E155 N163E155-E159 WeakPolarHBondContact O-CG 3.35Å; E155-E159 PolarHBondContact O-N 2.69Å; E159-N163 VanDerWaalsContact O-CB 3.24Å; E159-N163 WeakPolarHBondContact O-CB 3.32Å; E159-N163 PolarHBondContact O-N 3.29Å; E159-N163 PolarHBondContact O-ND2 2.77Å
160E79.6Confident70Confident132 Ų13278 Ų7862%0.61738%0.378SS*.Hα-helixtrans-64.6-46.3177.8-168.9-178.5167.500112.1K156 K157 L158 N163 K164K156-E160 PolarHBondContact O-N 2.7Å; K157-E160 PolarHBondContact O-N 3.41Å; L158-E160 VanDerWaalsContact C-N 3.32Å; L158-E160 PolarHBondContact O-N 3.27Å; E160-N163 PolarHBondContact O-N 3.1Å; E160-K164 WeakPolarHBondContact O-CB 3.41Å; E160-K164 PolarHBondContact O-N 3.15Å
161V79.3Confident70Confident23 Ų2385.2 Ų85.214%0.13941%0.409CS..Hα-helixtrans-65.7-42.3179174.10000111.1W153 K157 L158 K164 K165W153-V161 HydrophobicContact CE3-CG2 4.44Å; W153-V161 HydrophobicContact CH2-CB 4.38Å; W153-V161 HydrophobicContact CH2-CG1 3.98Å; W153-V161 HydrophobicContact CH2-CG2 3.97Å; W153-V161 HydrophobicContact CZ3-CB 4Å; W153-V161 HydrophobicContact CZ3-CG1 3.84Å; W153-V161 HydrophobicContact CZ3-CG2 3.9Å; K157-V161 WeakPolarHBondContact O-CG2 3.35Å; K157-V161 PolarHBondContact O-N 3.24Å; L158-V161 PolarHBondContact O-N 3.38Å; V161-K164 PolarHBondContact O-N 3.34Å; V161-K165 HydrophobicContact CG1-CG 4.38Å; V161-K165 WeakPolarHBondContact O-CB 3.12Å; V161-K165 WeakPolarHBondContact O-CG 3.45Å; V161-K165 PolarHBondContact O-N 3.34Å
162V75.4Confident69.8Low6 Ų685 Ų854%0.03641%0.405CS..Hα-helixtrans-59.1-46.9173.71700000110.8L158 K164 K165 H166 F183 Y192 H209 A210L158-V162 HydrophobicContact CD1-CG2 4.26Å; L158-V162 HydrophobicContact CG-CG2 4.39Å; L158-V162 WeakPolarHBondContact O-CB 3.46Å; L158-V162 WeakPolarHBondContact O-CG2 3.4Å; L158-V162 PolarHBondContact O-N 3.35Å; V162-K164 VanDerWaalsContact C-N 3.33Å; V162-K164 PolarHBondContact O-N 3.41Å; V162-K165 PolarHBondContact O-N 2.9Å; V162-H166 PolarHBondContact O-N 3.22Å; V162-F183 HydrophobicContact CG2-CE2 4.3Å; V162-F183 HydrophobicContact CG2-CZ 4.3Å; V162-Y192 HydrophobicContact CG2-CE1 3.5Å; V162-Y192 VanDerWaalsContact CG2-CE1 3.5Å; V162-Y192 VanDerWaalsContact CG2-OH 3.31Å; V162-Y192 WeakPolarHBondContact CG2-OH 3.09Å; V162-H209 WeakPolarHBondContact CG1-O 3.36Å; V162-A210 HydrophobicContact CG1-CB 3.76Å
163N76.8Confident69.4Low94 Ų9484.5 Ų84.550%0.50340%0.398SS..Hα-helixtrans-67.1-33178.8-75.6-32.5000112.4E159 E160 G167E159-N163 VanDerWaalsContact O-CB 3.24Å; E159-N163 WeakPolarHBondContact O-CB 3.32Å; E159-N163 PolarHBondContact O-N 3.29Å; E159-N163 PolarHBondContact O-ND2 2.77Å; E160-N163 PolarHBondContact O-N 3.1Å; N163-G167 WeakPolarHBondContact O-CA 3.45Å; N163-G167 PolarHBondContact O-N 3.27Å
164K77.3Confident68.7Low159 Ų15988.2 Ų88.269%0.69144%0.437SS*.Hα-helixtrans-74.1-36.1176.6-166172.4-175.7175.40112.8E160 V161 V162E160-K164 WeakPolarHBondContact O-CB 3.41Å; E160-K164 PolarHBondContact O-N 3.15Å; V161-K164 PolarHBondContact O-N 3.34Å; V162-K164 VanDerWaalsContact C-N 3.33Å; V162-K164 PolarHBondContact O-N 3.41Å
165K72Confident68.1Low73 Ų7384.4 Ų84.432%0.31741%0.414SS..Hα-helixtrans-81.1-38.8179-74.8-80.2178.2167.30113.2V161 V162 W194V161-K165 HydrophobicContact CG1-CG 4.38Å; V161-K165 WeakPolarHBondContact O-CB 3.12Å; V161-K165 WeakPolarHBondContact O-CG 3.45Å; V161-K165 PolarHBondContact O-N 3.34Å; V162-K165 PolarHBondContact O-N 2.9Å; K165-W194 WeakPolarHBondContact CE-O 3.38Å; K165-W194 PolarHBondContact NZ-O 3.18Å
166H65Low67.8Low12 Ų1282 Ų826%0.05641%0.408CS..Hα-helixtrans-121.1-12.5-172.1-65.3-53.6000114.6V162 E168 A169 E170 D203 H209V162-H166 PolarHBondContact O-N 3.22Å; H166-E168 VanDerWaalsContact C-N 3.31Å; H166-E168 PolarHBondContact O-N 3.28Å; H166-A169 PolarHBondContact O-N 3.4Å; H166-E170 HydrophobicContact CB-CG 4.28Å; H166-E170 WeakPolarHBondContact O-CB 3.46Å; H166-E170 WeakPolarHBondContact O-CG 3.46Å; H166-E170 PolarHBondContact O-N 3.3Å; H166-D203 IonicContact CE1-OD1 3.64Å; H166-D203 IonicContact ND1-OD1 3.94Å; H166-H209 AromaticContact CE1-ND1 3.94Å; H166-H209 AromaticContact NE2-ND1 3.89Å
167G61.7Low67.5Low17 Ų1783.1 Ų83.118%0.17542%0.415CS..Hα-helixtrans-64.9-27.1-17600000115N163 K171N163-G167 WeakPolarHBondContact O-CA 3.45Å; N163-G167 PolarHBondContact O-N 3.27Å; G167-K171 WeakPolarHBondContact O-CD 3.49Å; G167-K171 VanDerWaalsContact O-CG 3.24Å; G167-K171 WeakPolarHBondContact O-CG 3.43Å
168E60.8Low67.7Low134 Ų13484.6 Ų84.663%0.62643%0.425SS*.Hα-helixtrans-84.4-29.4175.1-149.6-169.3138.800112.9H166 K172H166-E168 VanDerWaalsContact C-N 3.31Å; H166-E168 PolarHBondContact O-N 3.28Å; E168-K172 IonicContact OE1-NZ 3.77Å; E168-K172 PolarHBondContact OE1-NZ 3.16Å
169A58.6Low68Low30 Ų3085.1 Ų85.125%0.24843%0.43CS..Hα-helixtrans-78.7-33.4177.700000112.5H166H166-A169 PolarHBondContact O-N 3.4Å
170E56.8Low68.5Low34 Ų3480.8 Ų80.816%0.15941%0.409CS..Hα-helixtrans-73.5-35.2176.8-69.8-74.7117.400112.3H166 K172 K173 K175H166-E170 HydrophobicContact CB-CG 4.28Å; H166-E170 WeakPolarHBondContact O-CB 3.46Å; H166-E170 WeakPolarHBondContact O-CG 3.46Å; H166-E170 PolarHBondContact O-N 3.3Å; E170-K172 PolarHBondContact O-N 3.17Å; E170-K173 PolarHBondContact O-N 2.89Å; E170-K175 VanDerWaalsContact OE1-CD 3.24Å; E170-K175 WeakPolarHBondContact OE1-CD 3.44Å; E170-K175 WeakPolarHBondContact OE1-CE 3.46Å; E170-K175 IonicContact OE1-NZ 2.77Å; E170-K175 PolarHBondContact OE1-NZ 2.83Å
171K59.8Low68.9Low189 Ų18982.1 Ų82.182%0.82241%0.413SS*.THydrogen-bonded Turntrans-65.7-21.5177.1-77.8174.4-173.9177.40113.7G167G167-K171 WeakPolarHBondContact O-CD 3.49Å; G167-K171 VanDerWaalsContact O-CG 3.24Å; G167-K171 WeakPolarHBondContact O-CG 3.43Å
172K60.3Low69.1Low150 Ų15086.3 Ų86.365%0.65243%0.427SS*.THydrogen-bonded Turntrans-94.4-5.3-174.4-69.1175.6-172.1166.20113.7E168 E170E168-K172 IonicContact OE1-NZ 3.77Å; E168-K172 PolarHBondContact OE1-NZ 3.16Å; E170-K172 PolarHBondContact O-N 3.17Å
173K56.4Low69.6Low99 Ų9986 Ų8643%0.4343%0.425SS..SBendtrans-137.1135.2-176.2-64.3176.9-176.2169.60111.8E170 K175 N204E170-K173 PolarHBondContact O-N 2.89Å; K173-K175 HydrophobicContact CB-CG 4.1Å; K173-K175 PolarHBondContact O-N 3.42Å; K173-N204 PolarHBondContact NZ-OD1 2.85Å
174A58.3Low70Confident116 Ų11683.7 Ų83.796%0.95941%0.413SS*.  trans-73.984.617400000110.1
175K58Low70.4Confident42 Ų4280.7 Ų80.718%0.18340%0.401CS..  trans-95158.8-179.9-64-174.7-172.5-175.20112E170 K173 C205E170-K175 VanDerWaalsContact OE1-CD 3.24Å; E170-K175 WeakPolarHBondContact OE1-CD 3.44Å; E170-K175 WeakPolarHBondContact OE1-CE 3.46Å; E170-K175 IonicContact OE1-NZ 2.77Å; E170-K175 PolarHBondContact OE1-NZ 2.83Å; K173-K175 HydrophobicContact CB-CG 4.1Å; K173-K175 PolarHBondContact O-N 3.42Å; K175-C205 WeakPolarHBondContact CD-O 3.37Å; K175-C205 WeakPolarHBondContact CE-O 3.34Å; K175-C205 PolarHBondContact NZ-O 3.31Å
176T63.9Low71.1Confident60 Ų6077.5 Ų77.537%0.36839%0.388SS..  trans-68.5148.4179.3600000110.7I178 M206T176-I178 PolarHBondContact O-N 3.29Å; T176-M206 PolarHBondContact OG1-O 3.48Å
177Q70.1Confident72Confident194 Ų19477 Ų7791%0.90739%0.386SS*.SBendtrans-66.91.7177.4-69.6-178.8-10.600113.6
178I79.9Confident73Confident104 Ų10479.4 Ų79.453%0.53339%0.393SS..PPolyproline II helixtrans-86.3130-173.9-58170.1000109.3T176 Y207 R208T176-I178 PolarHBondContact O-N 3.29Å; I178-Y207 HydrophobicContact CB-CD1 4.13Å; I178-Y207 HydrophobicContact CG2-CD1 4.07Å; I178-Y207 HydrophobicContact CG2-CE1 4.44Å; I178-R208 PolarHBondContact O-N 3.38Å
179V82.9Confident74.1Confident28 Ų2876.7 Ų76.717%0.1738%0.383CS..BIsolated β-bridgetrans-73.2138.9177.2-173.10000110.2K181 F183 L184 R208 P212V179-K181 PolarHBondContact O-N 3.34Å; V179-F183 HydrophobicContact CG1-CD1 3.75Å; V179-F183 HydrophobicContact CG1-CE1 4.27Å; V179-L184 HydrophobicContact CG1-CD1 4.23Å; V179-L184 HydrophobicContact CG1-CD2 4Å; V179-L184 HydrophobicContact CG1-CG 3.87Å; V179-R208 WeakPolarHBondContact CA-O 3.24Å; V179-P212 HydrophobicContact CG2-CG 3.42Å; V179-P212 VanDerWaalsContact CG2-CG 3.42Å
180C85.9Confident75Confident0 Ų078.1 Ų78.10%039%0.386CS..PPolyproline II helixtrans-65.8130.1177-175.90000111.5Y182 F183 L184 C205 R208 H209C180-Y182 PolarHBondContact O-N 2.84Å; C180-F183 HydrophobicContact CB-CB 3.85Å; C180-F183 WeakPolarHBondContact O-CB 3.09Å; C180-F183 PolarHBondContact O-N 3.19Å; C180-L184 PolarHBondContact O-N 3.27Å; C180-C205 VanDerWaalsContact SG-SG 3.7Å; C180-R208 PolarHBondContact N-O 3.32Å; C180-H209 WeakPolarHBondContact CB-CD2 3.31Å
181K86.6Confident76.1Confident161 Ų16183.5 Ų83.570%0.741%0.409SS*.Hα-helixtrans-59.9-43177.8-173.7-177.4177.1-171.80112.6V179 F183 L184 E185V179-K181 PolarHBondContact O-N 3.34Å; K181-F183 PolarHBondContact O-N 3.24Å; K181-L184 PolarHBondContact O-N 3.11Å; K181-E185 PolarHBondContact O-N 3.21Å
182Y85.3Confident76.8Confident110 Ų11074.8 Ų74.843%0.43137%0.371SS..Hα-helixtrans-66.8-25.8179.7-60.2-75.1000112.8C180 A186 W196 P199 A200C180-Y182 PolarHBondContact O-N 2.84Å; Y182-A186 VanDerWaalsContact O-CB 3.22Å; Y182-A186 WeakPolarHBondContact O-CB 3.33Å; Y182-A186 PolarHBondContact O-N 2.87Å; Y182-W196 WeakPolarHBondContact O-CZ2 3.04Å; Y182-P199 HydrophobicContact CD1-CG 3.71Å; Y182-P199 HydrophobicContact CD2-CG 4.39Å; Y182-P199 HydrophobicContact CE1-CG 4.28Å; Y182-P199 HydrophobicContact CG-CG 3.76Å; Y182-A200 HydrophobicContact CD2-CB 3.68Å; Y182-A200 HydrophobicContact CE2-CB 3.69Å
183F84.8Confident77.5Confident0 Ų068.9 Ų68.90%035%0.353CS..Hα-helixtrans-72.4-46174.3171.1-104.5000111.1V162 V179 C180 K181 E185 A186 I187 Y192 W196 H209 A210 L211V162-F183 HydrophobicContact CG2-CE2 4.3Å; V162-F183 HydrophobicContact CG2-CZ 4.3Å; V179-F183 HydrophobicContact CG1-CD1 3.75Å; V179-F183 HydrophobicContact CG1-CE1 4.27Å; C180-F183 HydrophobicContact CB-CB 3.85Å; C180-F183 WeakPolarHBondContact O-CB 3.09Å; C180-F183 PolarHBondContact O-N 3.19Å; K181-F183 PolarHBondContact O-N 3.24Å; F183-E185 VanDerWaalsContact C-N 3.31Å; F183-E185 PolarHBondContact O-N 3.38Å; F183-A186 PolarHBondContact O-N 3.37Å; F183-I187 HydrophobicContact CD1-CD1 3.73Å; F183-I187 HydrophobicContact CD2-CD1 3.82Å; F183-I187 HydrophobicContact CE1-CD1 3.3Å; F183-I187 HydrophobicContact CE2-CD1 3.41Å; F183-I187 VanDerWaalsContact CE2-CD1 3.41Å; F183-I187 HydrophobicContact CE2-CG1 4.29Å; F183-I187 HydrophobicContact CG-CD1 3.98Å; F183-I187 HydrophobicContact CZ-CD1 3.15Å; F183-I187 HydrophobicContact CZ-CG1 4.41Å; F183-I187 WeakPolarHBondContact O-CG1 3.37Å; F183-I187 PolarHBondContact O-N 3.16Å; F183-Y192 AromaticContact CD2-CD2 3.78Å; F183-Y192 HydrophobicContact CD2-CD2 3.78Å; F183-Y192 AromaticContact CD2-CE2 3.53Å; F183-Y192 HydrophobicContact CD2-CE2 3.53Å; F183-Y192 AromaticContact CE2-CD2 3.85Å; F183-Y192 HydrophobicContact CE2-CD2 3.85Å; F183-Y192 HydrophobicContact CE2-CE1 4.32Å; F183-Y192 AromaticContact CE2-CE2 3.41Å; F183-Y192 HydrophobicContact CE2-CE2 3.41Å; F183-Y192 VanDerWaalsContact CE2-CE2 3.41Å; F183-Y192 HydrophobicContact CE2-CG 4.48Å; F183-Y192 AromaticContact CE2-CZ 3.68Å; F183-W196 HydrophobicContact CB-CH2 3.87Å; F183-W196 HydrophobicContact CD2-CH2 4.21Å; F183-W196 HydrophobicContact CD2-CZ3 4.08Å; F183-H209 HydrophobicContact CD2-CB 4.01Å; F183-H209 HydrophobicContact CE2-CB 4.28Å; F183-H209 HydrophobicContact CG-CB 4.34Å; F183-H209 VanDerWaalsContact CZ-C 3.44Å; F183-A210 VanDerWaalsContact CE1-C 3.44Å; F183-L211 HydrophobicContact CE1-CD1 3.77Å; F183-L211 HydrophobicContact CE1-CG 4.35Å; F183-L211 HydrophobicContact CZ-CD1 3.72Å
184L85.2Confident78.1Confident46 Ų4671.1 Ų71.124%0.24136%0.359CS..Hα-helixtrans-58.8-43.9172.8-67.5174.1000111.3V179 C180 K181 A186 I187 E188 F215V179-L184 HydrophobicContact CG1-CD1 4.23Å; V179-L184 HydrophobicContact CG1-CD2 4Å; V179-L184 HydrophobicContact CG1-CG 3.87Å; C180-L184 PolarHBondContact O-N 3.27Å; K181-L184 PolarHBondContact O-N 3.11Å; L184-A186 PolarHBondContact O-N 3.44Å; L184-I187 PolarHBondContact O-N 3.47Å; L184-E188 WeakPolarHBondContact O-CB 3.36Å; L184-E188 WeakPolarHBondContact O-CG 3.38Å; L184-E188 PolarHBondContact O-N 2.9Å; L184-F215 HydrophobicContact CD2-CD1 4.47Å; L184-F215 HydrophobicContact CD2-CE1 3.79Å; L184-F215 HydrophobicContact CD2-CZ 4.11Å
185E85.7Confident78.4Confident95 Ų9574.5 Ų74.544%0.44435%0.352SS..Hα-helixtrans-65.8-37.2177.3-176.4178.4178.500112.6K181 F183 N189K181-E185 PolarHBondContact O-N 3.21Å; F183-E185 VanDerWaalsContact C-N 3.31Å; F183-E185 PolarHBondContact O-N 3.38Å; E185-N189 WeakPolarHBondContact CG-ND2 3.45Å; E185-N189 WeakPolarHBondContact O-CB 3.46Å; E185-N189 VanDerWaalsContact O-CG 3.29Å; E185-N189 PolarHBondContact O-N 3.02Å; E185-N189 PolarHBondContact O-ND2 3.24Å
186A87.1Confident79.5Confident6 Ų674.7 Ų74.75%0.0535%0.352CS..Hα-helixtrans-68.5-38.2176.900000112.1Y182 F183 L184 N190 K191 Y192 W196Y182-A186 VanDerWaalsContact O-CB 3.22Å; Y182-A186 WeakPolarHBondContact O-CB 3.33Å; Y182-A186 PolarHBondContact O-N 2.87Å; F183-A186 PolarHBondContact O-N 3.37Å; L184-A186 PolarHBondContact O-N 3.44Å; A186-N190 PolarHBondContact O-N 2.88Å; A186-N190 VanDerWaalsContact O-N 3.17Å; A186-K191 PolarHBondContact O-N 3.33Å; A186-Y192 PolarHBondContact O-N 2.85Å; A186-W196 HydrophobicContact CB-CD2 4.17Å; A186-W196 HydrophobicContact CB-CG 4.46Å; A186-W196 HydrophobicContact CB-CH2 4.49Å; A186-W196 HydrophobicContact CB-CZ2 3.55Å
187I84Confident80.3Confident3 Ų376.4 Ų76.42%0.01536%0.362CS..Hα-helixtrans-70.2-47.2175.8-72.1162.2000110.6M150 F183 L184 N189 N190 Y192 L211 L217M150-I187 HydrophobicContact CE-CG2 4.45Å; F183-I187 HydrophobicContact CD1-CD1 3.73Å; F183-I187 HydrophobicContact CD2-CD1 3.82Å; F183-I187 HydrophobicContact CE1-CD1 3.3Å; F183-I187 HydrophobicContact CE2-CD1 3.41Å; F183-I187 VanDerWaalsContact CE2-CD1 3.41Å; F183-I187 HydrophobicContact CE2-CG1 4.29Å; F183-I187 HydrophobicContact CG-CD1 3.98Å; F183-I187 HydrophobicContact CZ-CD1 3.15Å; F183-I187 HydrophobicContact CZ-CG1 4.41Å; F183-I187 WeakPolarHBondContact O-CG1 3.37Å; F183-I187 PolarHBondContact O-N 3.16Å; L184-I187 PolarHBondContact O-N 3.47Å; I187-N189 PolarHBondContact O-N 2.94Å; I187-N190 PolarHBondContact O-N 3.18Å; I187-N190 PolarHBondContact O-OD1 2.75Å; I187-Y192 HydrophobicContact CG1-CD1 4.45Å; I187-Y192 HydrophobicContact CG1-CD2 4.48Å; I187-Y192 HydrophobicContact CG1-CG 4.01Å; I187-L211 HydrophobicContact CD1-CD1 3.5Å; I187-L211 HydrophobicContact CD1-CG 4.47Å; I187-L217 HydrophobicContact CG2-CD1 4.07Å; I187-L217 HydrophobicContact CG2-CD2 3.36Å; I187-L217 HydrophobicContact CG2-CG 3.83Å
188E83.1Confident81Confident66 Ų6667.3 Ų67.331%0.30832%0.32SS..Hα-helixtrans-59.1-32.7175.6-76.1-177.8162.500111.7L184 K218 K219L184-E188 WeakPolarHBondContact O-CB 3.36Å; L184-E188 WeakPolarHBondContact O-CG 3.38Å; L184-E188 PolarHBondContact O-N 2.9Å; E188-K218 IonicContact OE1-NZ 3.71Å; E188-K218 PolarHBondContact OE1-NZ 3.02Å; E188-K219 WeakPolarHBondContact O-CE 3.45Å; E188-K219 PolarHBondContact O-NZ 3.22Å
189N82.4Confident81.2Confident78 Ų7866.9 Ų66.942%0.41732%0.324SS..THydrogen-bonded Turntrans-91.46.8177.9-71.1-51.9000114.8E185 I187 K191E185-N189 WeakPolarHBondContact CG-ND2 3.45Å; E185-N189 WeakPolarHBondContact O-CB 3.46Å; E185-N189 VanDerWaalsContact O-CG 3.29Å; E185-N189 PolarHBondContact O-N 3.02Å; E185-N189 PolarHBondContact O-ND2 3.24Å; I187-N189 PolarHBondContact O-N 2.94Å; N189-K191 HydrophobicContact CB-CD 3.96Å; N189-K191 HydrophobicContact CB-CG 4.09Å; N189-K191 PolarHBondContact O-N 3.48Å; N189-K191 VanDerWaalsContact O-N 3.13Å
190N78.1Confident80.8Confident60 Ų6068.1 Ų68.132%0.32134%0.337SS..THydrogen-bonded Turntrans55.125.3-175.3-58.4-12000114.1M150 A186 I187 K219M150-N190 HydrophobicContact CG-CB 4.47Å; M150-N190 WeakPolarHBondContact SD-CA 3.39Å; M150-N190 HydrophobicContact SD-CB 4.13Å; A186-N190 PolarHBondContact O-N 2.88Å; A186-N190 VanDerWaalsContact O-N 3.17Å; I187-N190 PolarHBondContact O-N 3.18Å; I187-N190 PolarHBondContact O-OD1 2.75Å; N190-K219 PolarHBondContact ND2-NZ 3.11Å; N190-K219 PolarHBondContact OD1-NZ 3.28Å
191K79.3Confident80.1Confident147 Ų14769.9 Ų69.964%0.63936%0.355SS*.  trans-96.3-1.1-179.6-69.3174.7-175.3174.20112.6A186 N189 G193 W196A186-K191 PolarHBondContact O-N 3.33Å; N189-K191 HydrophobicContact CB-CD 3.96Å; N189-K191 HydrophobicContact CB-CG 4.09Å; N189-K191 PolarHBondContact O-N 3.48Å; N189-K191 VanDerWaalsContact O-N 3.13Å; K191-G193 PolarHBondContact O-N 3.38Å; K191-W196 VanDerWaalsContact O-CD1 3.24Å
192Y74.9Confident79.6Confident5 Ų562.8 Ų62.82%0.0233%0.328CS..  trans-84.698.7179.5-173.5-92000110.2L158 V162 F183 A186 I187 W196L158-Y192 HydrophobicContact CD1-CD1 3.64Å; L158-Y192 HydrophobicContact CD1-CE1 3.88Å; V162-Y192 HydrophobicContact CG2-CE1 3.5Å; V162-Y192 VanDerWaalsContact CG2-CE1 3.5Å; V162-Y192 VanDerWaalsContact CG2-OH 3.31Å; V162-Y192 WeakPolarHBondContact CG2-OH 3.09Å; F183-Y192 AromaticContact CD2-CD2 3.78Å; F183-Y192 HydrophobicContact CD2-CD2 3.78Å; F183-Y192 AromaticContact CD2-CE2 3.53Å; F183-Y192 HydrophobicContact CD2-CE2 3.53Å; F183-Y192 AromaticContact CE2-CD2 3.85Å; F183-Y192 HydrophobicContact CE2-CD2 3.85Å; F183-Y192 HydrophobicContact CE2-CE1 4.32Å; F183-Y192 AromaticContact CE2-CE2 3.41Å; F183-Y192 HydrophobicContact CE2-CE2 3.41Å; F183-Y192 VanDerWaalsContact CE2-CE2 3.41Å; F183-Y192 HydrophobicContact CE2-CG 4.48Å; F183-Y192 AromaticContact CE2-CZ 3.68Å; A186-Y192 PolarHBondContact O-N 2.85Å; I187-Y192 HydrophobicContact CG1-CD1 4.45Å; I187-Y192 HydrophobicContact CG1-CD2 4.48Å; I187-Y192 HydrophobicContact CG1-CG 4.01Å; Y192-W196 HydrophobicContact CD2-CB 4.33Å; Y192-W196 AromaticContact CD2-CD2 3.62Å; Y192-W196 HydrophobicContact CD2-CD2 3.62Å; Y192-W196 AromaticContact CD2-CE3 3.33Å; Y192-W196 HydrophobicContact CD2-CE3 3.33Å; Y192-W196 HydrophobicContact CD2-CG 4.07Å; Y192-W196 HydrophobicContact CD2-CH2 4.48Å; Y192-W196 AromaticContact CD2-CZ3 3.8Å; Y192-W196 HydrophobicContact CD2-CZ3 3.8Å; Y192-W196 HydrophobicContact CE2-CD2 4.06Å; Y192-W196 AromaticContact CE2-CE3 3.27Å; Y192-W196 HydrophobicContact CE2-CE3 3.27Å; Y192-W196 AromaticContact CE2-CZ3 3.59Å; Y192-W196 HydrophobicContact CE2-CZ3 3.59Å
193G75.2Confident78.8Confident27 Ų2762.6 Ų62.628%0.27833%0.334SS..SBendtrans-136.1-170.7179.700000112.9K191 F195 W196K191-G193 PolarHBondContact O-N 3.38Å; G193-F195 PolarHBondContact O-N 3.06Å; G193-W196 WeakPolarHBondContact O-CB 3.49Å; G193-W196 PolarHBondContact O-N 3.43Å
194W68.3Low78.2Confident146 Ų14667.8 Ų67.855%0.55336%0.362SS*.THydrogen-bonded Turntrans-55.1-26.9-178.8-178.7-95.1000113.9K165K165-W194 WeakPolarHBondContact CE-O 3.38Å; K165-W194 PolarHBondContact NZ-O 3.18Å
195F65.5Low77.9Confident187 Ų18765.7 Ų65.782%0.8235%0.351SS*.THydrogen-bonded Turntrans-101.64.4-179.9-68.2-79.8000114.4G193 V197G193-F195 PolarHBondContact O-N 3.06Å; F195-V197 PolarHBondContact O-N 3.05Å
196W81.8Confident77.5Confident46 Ų4667 Ų6717%0.17436%0.359CS..  trans-75.7128.1-179.3-173.684.7000111.5Y182 F183 A186 K191 Y192 G193 C198Y182-W196 WeakPolarHBondContact O-CZ2 3.04Å; F183-W196 HydrophobicContact CB-CH2 3.87Å; F183-W196 HydrophobicContact CD2-CH2 4.21Å; F183-W196 HydrophobicContact CD2-CZ3 4.08Å; A186-W196 HydrophobicContact CB-CD2 4.17Å; A186-W196 HydrophobicContact CB-CG 4.46Å; A186-W196 HydrophobicContact CB-CH2 4.49Å; A186-W196 HydrophobicContact CB-CZ2 3.55Å; K191-W196 VanDerWaalsContact O-CD1 3.24Å; Y192-W196 HydrophobicContact CD2-CB 4.33Å; Y192-W196 AromaticContact CD2-CD2 3.62Å; Y192-W196 HydrophobicContact CD2-CD2 3.62Å; Y192-W196 AromaticContact CD2-CE3 3.33Å; Y192-W196 HydrophobicContact CD2-CE3 3.33Å; Y192-W196 HydrophobicContact CD2-CG 4.07Å; Y192-W196 HydrophobicContact CD2-CH2 4.48Å; Y192-W196 AromaticContact CD2-CZ3 3.8Å; Y192-W196 HydrophobicContact CD2-CZ3 3.8Å; Y192-W196 HydrophobicContact CE2-CD2 4.06Å; Y192-W196 AromaticContact CE2-CE3 3.27Å; Y192-W196 HydrophobicContact CE2-CE3 3.27Å; Y192-W196 AromaticContact CE2-CZ3 3.59Å; Y192-W196 HydrophobicContact CE2-CZ3 3.59Å; G193-W196 WeakPolarHBondContact O-CB 3.49Å; G193-W196 PolarHBondContact O-N 3.43Å; W196-C198 HydrophobicContact CH2-CB 3.81Å; W196-C198 HydrophobicContact CZ2-CB 4.46Å; W196-C198 HydrophobicContact CZ3-CB 4.08Å
197V81Confident77.2Confident95 Ų9571.9 Ų71.958%0.57638%0.376SS*.  trans-125130.5177.3179.50000107.7F195 P199 G202F195-V197 PolarHBondContact O-N 3.05Å; V197-P199 WeakPolarHBondContact O-CD 3.04Å; V197-G202 VanDerWaalsContact CG1-CA 3.44Å
198C83.3Confident77Confident3 Ų376 Ų762%0.0239%0.392CS..  trans-61.9124.1-179.6-179.30000111.1W196 A200 G201 G202 C205 H209W196-C198 HydrophobicContact CH2-CB 3.81Å; W196-C198 HydrophobicContact CZ2-CB 4.46Å; W196-C198 HydrophobicContact CZ3-CB 4.08Å; C198-A200 PolarHBondContact O-N 3.22Å; C198-A200 PolarHBondContact SG-N 3.39Å; C198-G201 PolarHBondContact O-N 2.79Å; C198-G202 WeakPolarHBondContact O-CA 3.09Å; C198-G202 PolarHBondContact O-N 2.95Å; C198-C205 HydrophobicContact CB-CB 4.48Å; C198-H209 WeakPolarHBondContact CB-CE1 3.39Å; C198-H209 VanDerWaalsContact CB-NE2 3.33Å; C198-H209 WeakPolarHBondContact CB-NE2 2.93Å; C198-H209 PolarHBondContact SG-NE2 3.06Å
199P84.4Confident76.8Confident96 Ų9672.9 Ų72.962%0.62338%0.378SS*.THydrogen-bonded Turntrans-67.1-18.318025.2-33.1000113.4Y182 V197 G201Y182-P199 HydrophobicContact CD1-CG 3.71Å; Y182-P199 HydrophobicContact CD2-CG 4.39Å; Y182-P199 HydrophobicContact CE1-CG 4.28Å; Y182-P199 HydrophobicContact CG-CG 3.76Å; V197-P199 WeakPolarHBondContact O-CD 3.04Å; P199-G201 VanDerWaalsContact C-N 3.33Å; P199-G201 PolarHBondContact O-N 3.04Å
200A75Confident76.7Confident54 Ų5469.7 Ų69.745%0.44636%0.362SS..THydrogen-bonded Turntrans-82-3.7178.600000114.7Y182 C198Y182-A200 HydrophobicContact CD2-CB 3.68Å; Y182-A200 HydrophobicContact CE2-CB 3.69Å; C198-A200 PolarHBondContact O-N 3.22Å; C198-A200 PolarHBondContact SG-N 3.39Å
201G71.3Confident76.7Confident37 Ų3767.9 Ų67.938%0.38135%0.352SS..THydrogen-bonded Turntrans15816.3178.700000116.5C198 P199 D203 N204 C205C198-G201 PolarHBondContact O-N 2.79Å; P199-G201 VanDerWaalsContact C-N 3.33Å; P199-G201 PolarHBondContact O-N 3.04Å; G201-D203 PolarHBondContact O-N 3.04Å; G201-N204 CarbonylContact O-C 3.43Å; G201-N204 WeakPolarHBondContact O-CA 2.8Å; G201-N204 WeakPolarHBondContact O-CB 3.22Å; G201-N204 PolarHBondContact O-N 3Å; G201-C205 PolarHBondContact O-N 3.39Å
202G76.7Confident76.6Confident12 Ų1263.3 Ų63.312%0.12434%0.337CS..G310 helixtrans50.4-124.5-177.600000112.4V197 C198 N204 C205 H209V197-G202 VanDerWaalsContact CG1-CA 3.44Å; C198-G202 WeakPolarHBondContact O-CA 3.09Å; C198-G202 PolarHBondContact O-N 2.95Å; G202-N204 PolarHBondContact O-N 2.83Å; G202-C205 PolarHBondContact O-N 2.9Å; G202-H209 PolarHBondContact O-CE1 3.45Å
203D67.3Low76.5Confident105 Ų10569 Ų6956%0.56138%0.375SS*.G310 helixtrans-71.9-10.7177.3-59.1-39.9000113.8H166 G201H166-D203 IonicContact CE1-OD1 3.64Å; H166-D203 IonicContact ND1-OD1 3.94Å; G201-D203 PolarHBondContact O-N 3.04Å
204N73.1Confident76.2Confident109 Ų10971.3 Ų71.358%0.58340%0.398SS*.G310 helixtrans-105.517179.6-156.925.8000113.7K173 G201 G202 M206K173-N204 PolarHBondContact NZ-OD1 2.85Å; G201-N204 CarbonylContact O-C 3.43Å; G201-N204 WeakPolarHBondContact O-CA 2.8Å; G201-N204 WeakPolarHBondContact O-CB 3.22Å; G201-N204 PolarHBondContact O-N 3Å; G202-N204 PolarHBondContact O-N 2.83Å; N204-M206 PolarHBondContact O-N 2.88Å
205C77.8Confident76.5Confident3 Ų368.3 Ų68.32%0.0239%0.389CS..  trans-55.5137.1173.5-172.10000111.3K175 C180 C198 G201 G202 Y207 H209K175-C205 WeakPolarHBondContact CD-O 3.37Å; K175-C205 WeakPolarHBondContact CE-O 3.34Å; K175-C205 PolarHBondContact NZ-O 3.31Å; C180-C205 VanDerWaalsContact SG-SG 3.7Å; C198-C205 HydrophobicContact CB-CB 4.48Å; G201-C205 PolarHBondContact O-N 3.39Å; G202-C205 PolarHBondContact O-N 2.9Å; C205-Y207 PolarHBondContact O-N 2.9Å; C205-H209 WeakPolarHBondContact CB-CE1 2.95Å; C205-H209 VanDerWaalsContact CB-NE2 3.33Å; C205-H209 WeakPolarHBondContact CB-NE2 3.36Å; C205-H209 PolarHBondContact SG-NE2 2.95Å
206M78Confident76.8Confident122 Ų12262.5 Ų62.560%0.60137%0.369SS*.SBendtrans-69.3-23.4178.3-175.462.373.300112.8T176 N204T176-M206 PolarHBondContact OG1-O 3.48Å; N204-M206 PolarHBondContact O-N 2.88Å
207Y81Confident76.4Confident108 Ų10861.2 Ų61.242%0.42437%0.365SS..SBendtrans-102.6155.3-175.8-54.7-70.7000111I178 C205I178-Y207 HydrophobicContact CB-CD1 4.13Å; I178-Y207 HydrophobicContact CG2-CD1 4.07Å; I178-Y207 HydrophobicContact CG2-CE1 4.44Å; C205-Y207 PolarHBondContact O-N 2.9Å
208R79.3Confident75.9Confident89 Ų8963.5 Ų63.534%0.33637%0.368SS..BIsolated β-bridgetrans-74.3129.7-175.4-177.1175.3163.877.80.7111.5I178 V179 C180 A210I178-R208 PolarHBondContact O-N 3.38Å; V179-R208 WeakPolarHBondContact CA-O 3.24Å; C180-R208 PolarHBondContact N-O 3.32Å; R208-A210 HydrophobicContact CG-CB 4.21Å
209H78.7Confident75.1Confident2 Ų268 Ų681%0.00939%0.387CS..  trans-98.954.1173.9-61.3151.4000111.6V162 H166 C180 F183 C198 G202 C205V162-H209 WeakPolarHBondContact CG1-O 3.36Å; H166-H209 AromaticContact CE1-ND1 3.94Å; H166-H209 AromaticContact NE2-ND1 3.89Å; C180-H209 WeakPolarHBondContact CB-CD2 3.31Å; F183-H209 HydrophobicContact CD2-CB 4.01Å; F183-H209 HydrophobicContact CE2-CB 4.28Å; F183-H209 HydrophobicContact CG-CB 4.34Å; F183-H209 VanDerWaalsContact CZ-C 3.44Å; C198-H209 WeakPolarHBondContact CB-CE1 3.39Å; C198-H209 VanDerWaalsContact CB-NE2 3.33Å; C198-H209 WeakPolarHBondContact CB-NE2 2.93Å; C198-H209 PolarHBondContact SG-NE2 3.06Å; G202-H209 PolarHBondContact O-CE1 3.45Å; C205-H209 WeakPolarHBondContact CB-CE1 2.95Å; C205-H209 VanDerWaalsContact CB-NE2 3.33Å; C205-H209 WeakPolarHBondContact CB-NE2 3.36Å; C205-H209 PolarHBondContact SG-NE2 2.95Å
210A81Confident74.3Confident10 Ų1067.2 Ų67.28%0.08338%0.378CS..SBendtrans-151.6142.7174.800000108.9V162 F183 R208V162-A210 HydrophobicContact CG1-CB 3.76Å; F183-A210 VanDerWaalsContact CE1-C 3.44Å; R208-A210 HydrophobicContact CG-CB 4.21Å
211L78.6Confident73.8Confident23 Ų2370 Ų7012%0.1238%0.38CS..PPolyproline II helixtrans-63.1136.7174.1-74.183.5000108.9L158 F183 I187 F215 L217L158-L211 HydrophobicContact CD2-CD1 4.2Å; F183-L211 HydrophobicContact CE1-CD1 3.77Å; F183-L211 HydrophobicContact CE1-CG 4.35Å; F183-L211 HydrophobicContact CZ-CD1 3.72Å; I187-L211 HydrophobicContact CD1-CD1 3.5Å; I187-L211 HydrophobicContact CD1-CG 4.47Å; L211-F215 HydrophobicContact CD2-CD1 3.92Å; L211-F215 HydrophobicContact CG-CD1 4.4Å; L211-L217 HydrophobicContact CD2-CD1 3.48Å; L211-L217 VanDerWaalsContact CD2-CD1 3.48Å
212P76.6Confident73.3Confident51 Ų5174.9 Ų74.933%0.33139%0.39SS..PPolyproline II helixtrans-61145.2165.4-21.434.4000109.8V179 G214 F215V179-P212 HydrophobicContact CG2-CG 3.42Å; V179-P212 VanDerWaalsContact CG2-CG 3.42Å; P212-G214 PolarHBondContact O-N 3.18Å; P212-F215 WeakPolarHBondContact O-CB 3.24Å; P212-F215 PolarHBondContact O-N 3.34Å; P212-F215 VanDerWaalsContact O-N 3.16Å
213P72.9Confident72.4Confident125 Ų12580.7 Ų80.781%0.81241%0.412SS*.THydrogen-bonded Turntrans-57.6122.917724.4-33000110.1
214G68.2Low72Confident74 Ų7482.8 Ų82.876%0.76342%0.419SS*.THydrogen-bonded Turntrans91.310.6-179.500000116.5P212 V216P212-G214 PolarHBondContact O-N 3.18Å; G214-V216 PolarHBondContact O-N 2.92Å
215F74.3Confident71.2Confident83 Ų8385.4 Ų85.436%0.36443%0.427SS..  trans-86.599.8175.5-174.8-94.8000111.6L184 L211 P212L184-F215 HydrophobicContact CD2-CD1 4.47Å; L184-F215 HydrophobicContact CD2-CE1 3.79Å; L184-F215 HydrophobicContact CD2-CZ 4.11Å; L211-F215 HydrophobicContact CD2-CD1 3.92Å; L211-F215 HydrophobicContact CG-CD1 4.4Å; P212-F215 WeakPolarHBondContact O-CB 3.24Å; P212-F215 PolarHBondContact O-N 3.34Å; P212-F215 VanDerWaalsContact O-N 3.16Å
216V71.7Confident70.2Confident66 Ų6692.3 Ų92.340%0.446%0.457SS..  trans-80.7128.3176-172.80000110.6G214 D220 K221G214-V216 PolarHBondContact O-N 2.92Å; V216-D220 HydrophobicContact CG1-CB 4.26Å; V216-K221 HydrophobicContact CB-CG 4.41Å; V216-K221 HydrophobicContact CG1-CG 3.79Å
217L73.6Confident69.2Low18 Ų1893.2 Ų93.29%0.09446%0.46CS..  trans-63.1148.8176.4-80.861.4000111.1I187 L211 K219 D220 K221I187-L217 HydrophobicContact CG2-CD1 4.07Å; I187-L217 HydrophobicContact CG2-CD2 3.36Å; I187-L217 HydrophobicContact CG2-CG 3.83Å; L211-L217 HydrophobicContact CD2-CD1 3.48Å; L211-L217 VanDerWaalsContact CD2-CD1 3.48Å; L217-K219 PolarHBondContact O-N 2.83Å; L217-D220 PolarHBondContact O-N 2.98Å; L217-K221 PolarHBondContact O-N 3.25Å
218K70.1Confident68.2Low144 Ų14496.6 Ų96.663%0.62648%0.479SS*.Hα-helixtrans-62.2-28.9176.1-63.5176.3-168.2135.60113.6E188 K222E188-K218 IonicContact OE1-NZ 3.71Å; E188-K218 PolarHBondContact OE1-NZ 3.02Å; K218-K222 PolarHBondContact O-N 2.98Å
219K68.1Low67.5Low96 Ų96100.3 Ų100.342%0.41750%0.5SS..Hα-helixtrans-68.9-41.3177.2-79179.7165.7174.80111.7E188 N190 L217 K222 K223E188-K219 WeakPolarHBondContact O-CE 3.45Å; E188-K219 PolarHBondContact O-NZ 3.22Å; N190-K219 PolarHBondContact ND2-NZ 3.11Å; N190-K219 PolarHBondContact OD1-NZ 3.28Å; L217-K219 PolarHBondContact O-N 2.83Å; K219-K222 PolarHBondContact O-N 2.76Å; K219-K223 PolarHBondContact O-N 3.27Å
220D66.2Low67Low81 Ų81105.4 Ų105.443%0.43353%0.527SS..Hα-helixtrans-72-37.5-179.3-56.8-28.4000111.2V216 L217 K222 K223 E224V216-D220 HydrophobicContact CG1-CB 4.26Å; L217-D220 PolarHBondContact O-N 2.98Å; D220-K222 VanDerWaalsContact C-N 3.33Å; D220-K222 PolarHBondContact O-N 3.21Å; D220-K223 WeakPolarHBondContact O-CB 3.23Å; D220-K223 PolarHBondContact O-N 3.4Å; D220-K223 VanDerWaalsContact O-N 3.11Å; D220-E224 PolarHBondContact O-N 3Å; D220-E224 VanDerWaalsContact O-N 3.08Å
221K64.9Low67.2Low113 Ų113107.6 Ų107.649%0.49154%0.541SS..Hα-helixtrans-58.6-40.9170.9-71.8-171.6175.1-167.60113.5V216 L217 K223 E224 E225V216-K221 HydrophobicContact CB-CG 4.41Å; V216-K221 HydrophobicContact CG1-CG 3.79Å; L217-K221 PolarHBondContact O-N 3.25Å; K221-K223 VanDerWaalsContact C-N 3.25Å; K221-K223 PolarHBondContact O-N 3.24Å; K221-E224 PolarHBondContact O-N 3.33Å; K221-E225 WeakPolarHBondContact O-CG 3.48Å; K221-E225 PolarHBondContact O-N 3.3Å
222K60.5Low67.4Low138 Ų138112.1 Ų112.160%0.657%0.565SS**Hα-helixtrans-71.8-21.8178.8-172170.7-179.6176.20112.4K218 K219 D220K218-K222 PolarHBondContact O-N 2.98Å; K219-K222 PolarHBondContact O-N 2.76Å; D220-K222 VanDerWaalsContact C-N 3.33Å; D220-K222 PolarHBondContact O-N 3.21Å
223K59.1Low67.7Low134 Ų134115.6 Ų115.658%0.58358%0.577SS**Hα-helixtrans-78.1-41.9174.4-168.1178.8175.8-174.90111.1K219 D220 K221 E225 K226K219-K223 PolarHBondContact O-N 3.27Å; D220-K223 WeakPolarHBondContact O-CB 3.23Å; D220-K223 PolarHBondContact O-N 3.4Å; D220-K223 VanDerWaalsContact O-N 3.11Å; K221-K223 VanDerWaalsContact C-N 3.25Å; K221-K223 PolarHBondContact O-N 3.24Å; K223-E225 VanDerWaalsContact C-N 3.31Å; K223-E225 PolarHBondContact O-N 3.46Å; K223-K226 PolarHBondContact O-N 3.15Å
224E57.4Low68.4Low150 Ų150115.6 Ų115.670%0.70157%0.566SS**Hα-helixtrans-62.8-33.8174.6-74.3-177152.200113D220 K221 K226D220-E224 PolarHBondContact O-N 3Å; D220-E224 VanDerWaalsContact O-N 3.08Å; K221-E224 PolarHBondContact O-N 3.33Å; E224-K226 VanDerWaalsContact C-N 3.27Å; E224-K226 PolarHBondContact O-N 3Å
225E57.3Low69.4Low163 Ų163115.8 Ų115.876%0.76255%0.549SS*.THydrogen-bonded Turntrans-74.5-9.8177.8-72.5175.3174.400114.4K221 K223K221-E225 WeakPolarHBondContact O-CG 3.48Å; K221-E225 PolarHBondContact O-N 3.3Å; K223-E225 VanDerWaalsContact C-N 3.31Å; K223-E225 PolarHBondContact O-N 3.46Å
226K57.8Low70.2Confident149 Ų149116 Ų11665%0.64855%0.553SS**THydrogen-bonded Turntrans-104.3-0.9-173.9-88.4-166.8168.5-140.30115.3K223 E224K223-K226 PolarHBondContact O-N 3.15Å; E224-K226 VanDerWaalsContact C-N 3.27Å; E224-K226 PolarHBondContact O-N 3Å
227E56.3Low71.1Confident141 Ų141118 Ų11866%0.65956%0.558SS**  trans-103.510.6-171.9-73.7179.3-176.600114.7E229E227-E229 PolarHBondContact O-N 3.5Å
228E59.8Low71.7Confident179 Ų179120.3 Ų120.384%0.83658%0.576SS**  trans-101.357.7171.1-63.2-174.8178.800110.6I230E228-I230 VanDerWaalsContact C-N 3.34Å; E228-I230 PolarHBondContact O-N 2.89Å
229E64.2Low72.7Confident166 Ų166118.9 Ų118.978%0.77657%0.571SS**  trans-65.1100.9161.2-74.1177.5179.700107.3E227 S231E227-E229 PolarHBondContact O-N 3.5Å; E229-S231 PolarHBondContact O-N 3.36Å
230I67.8Low73.6Confident109 Ų109122.3 Ų122.356%0.55958%0.582SS**  trans-49.9122.8174.3-24.7172.2000107.6E228 E234E228-I230 VanDerWaalsContact C-N 3.34Å; E228-I230 PolarHBondContact O-N 2.89Å; I230-E234 HydrophobicContact CG2-CB 3.82Å; I230-E234 VanDerWaalsContact CG2-CD 3.43Å; I230-E234 HydrophobicContact CG2-CG 3.5Å; I230-E234 WeakPolarHBondContact CG2-OE2 3.5Å
231S85.9Confident74.5Confident56 Ų56122.4 Ų122.439%0.39259%0.594SS.*  trans-67.2151.9-17899.50000110E229 E233 E234 L235E229-S231 PolarHBondContact O-N 3.36Å; S231-E233 VanDerWaalsContact CB-OE2 3.29Å; S231-E233 WeakPolarHBondContact CB-OE2 3.16Å; S231-E233 PolarHBondContact O-N 2.84Å; S231-E233 PolarHBondContact OG-OE2 3.05Å; S231-E234 PolarHBondContact O-N 3.44Å; S231-L235 PolarHBondContact O-N 2.7Å
232L82.4Confident75.7Confident118 Ų118121 Ų12162%0.61860%0.603SS**Hα-helixtrans-51.6-34.6-179-175.3114.7000111.8L235 I236L232-L235 PolarHBondContact O-N 3.36Å; L232-I236 HydrophobicContact CD2-CD1 3.58Å; L232-I236 HydrophobicContact CG-CD1 3.97Å; L232-I236 WeakPolarHBondContact O-CB 3.38Å; L232-I236 WeakPolarHBondContact O-CD1 3.28Å; L232-I236 WeakPolarHBondContact O-CG1 3.4Å; L232-I236 PolarHBondContact O-N 3.22Å
233E83.6Confident76.8Confident125 Ų125120.1 Ų120.158%0.58460%0.604SS**Hα-helixtrans-65.6-40.2176.8-60.279.4-17500112.9S231 I236 E237S231-E233 VanDerWaalsContact CB-OE2 3.29Å; S231-E233 WeakPolarHBondContact CB-OE2 3.16Å; S231-E233 PolarHBondContact O-N 2.84Å; S231-E233 PolarHBondContact OG-OE2 3.05Å; E233-I236 PolarHBondContact O-N 3.06Å; E233-E237 WeakPolarHBondContact O-CB 3.43Å; E233-E237 PolarHBondContact O-N 2.98Å
234E87.4Confident78.1Confident124 Ų124116.1 Ų116.158%0.57960%0.601SS**Hα-helixtrans-73.2-36.1178179.4172.9-162.800111.2I230 S231 E237 S238I230-E234 HydrophobicContact CG2-CB 3.82Å; I230-E234 VanDerWaalsContact CG2-CD 3.43Å; I230-E234 HydrophobicContact CG2-CG 3.5Å; I230-E234 WeakPolarHBondContact CG2-OE2 3.5Å; S231-E234 PolarHBondContact O-N 3.44Å; E234-E237 PolarHBondContact O-N 3.42Å; E234-S238 WeakPolarHBondContact O-CB 3.3Å; E234-S238 PolarHBondContact O-N 2.92Å; E234-S238 PolarHBondContact O-OG 3.23Å
235L89.8Confident79Confident79 Ų79116.1 Ų116.141%0.41461%0.611SS.*Hα-helixtrans-58-51.7168.1-173.987.3000110.5S231 L232 E237 S238 E239S231-L235 PolarHBondContact O-N 2.7Å; L232-L235 PolarHBondContact O-N 3.36Å; L235-E237 VanDerWaalsContact C-N 3.34Å; L235-E237 PolarHBondContact O-N 3.3Å; L235-S238 PolarHBondContact O-N 3.23Å; L235-S238 PolarHBondContact O-OG 3.26Å; L235-E239 WeakPolarHBondContact O-CG 3.35Å; L235-E239 PolarHBondContact O-N 3.39Å
236I90.8Very high80Confident87 Ų87116.3 Ų116.345%0.44662%0.617SS.*Hα-helixtrans-59.2-43.9-179.4-72.1164.5000111.4L232 E233 E239 R240L232-I236 HydrophobicContact CD2-CD1 3.58Å; L232-I236 HydrophobicContact CG-CD1 3.97Å; L232-I236 WeakPolarHBondContact O-CB 3.38Å; L232-I236 WeakPolarHBondContact O-CD1 3.28Å; L232-I236 WeakPolarHBondContact O-CG1 3.4Å; L232-I236 PolarHBondContact O-N 3.22Å; E233-I236 PolarHBondContact O-N 3.06Å; I236-E239 PolarHBondContact O-N 2.92Å; I236-R240 VanDerWaalsContact O-CB 3.24Å; I236-R240 WeakPolarHBondContact O-CB 3.34Å; I236-R240 PolarHBondContact O-N 2.92Å
237E89.2Confident81.2Confident108 Ų108113.9 Ų113.951%0.50561%0.614SS.*Hα-helixtrans-70.7-34.3-179.1-164.263.1-16300111.6E233 E234 L235 R240 A241E233-E237 WeakPolarHBondContact O-CB 3.43Å; E233-E237 PolarHBondContact O-N 2.98Å; E234-E237 PolarHBondContact O-N 3.42Å; L235-E237 VanDerWaalsContact C-N 3.34Å; L235-E237 PolarHBondContact O-N 3.3Å; E237-R240 PolarHBondContact O-N 2.96Å; E237-R240 IonicContact OE2-NH1 3.65Å; E237-A241 WeakPolarHBondContact O-CB 3.37Å; E237-A241 PolarHBondContact O-N 2.97Å
238S87.3Confident82.5Confident66 Ų66112.8 Ų112.846%0.46262%0.618SS.*Hα-helixtrans-64.8-44.4173.280.20000112.1E234 L235 A241 A242E234-S238 WeakPolarHBondContact O-CB 3.3Å; E234-S238 PolarHBondContact O-N 2.92Å; E234-S238 PolarHBondContact O-OG 3.23Å; L235-S238 PolarHBondContact O-N 3.23Å; L235-S238 PolarHBondContact O-OG 3.26Å; S238-A241 PolarHBondContact O-N 3.31Å; S238-A242 WeakPolarHBondContact O-CB 3.44Å; S238-A242 PolarHBondContact O-N 3.3Å
239E90.2Very high83.7Confident115 Ų115114.5 Ų114.554%0.53762%0.617SS.*Hα-helixtrans-66.8-40.8177-72.3-167.3155.800111.1L235 I236 A241 A242 L243L235-E239 WeakPolarHBondContact O-CG 3.35Å; L235-E239 PolarHBondContact O-N 3.39Å; I236-E239 PolarHBondContact O-N 2.92Å; E239-A241 VanDerWaalsContact C-N 3.33Å; E239-A241 PolarHBondContact O-N 3.38Å; E239-A242 CarbonylContact O-C 3.55Å; E239-A242 WeakPolarHBondContact O-CB 3.4Å; E239-A242 PolarHBondContact O-N 3.25Å; E239-A242 VanDerWaalsContact O-N 3.12Å; E239-L243 WeakPolarHBondContact O-CG 3.24Å; E239-L243 PolarHBondContact O-N 2.58Å
240R86.9Confident84.7Confident168 Ų168113.8 Ų113.863%0.63462%0.616SS**Hα-helixtrans-62.6-39.9175.4-173.5-176.4178.9-174.21.9112.1I236 E237 A242 L243I236-R240 VanDerWaalsContact O-CB 3.24Å; I236-R240 WeakPolarHBondContact O-CB 3.34Å; I236-R240 PolarHBondContact O-N 2.92Å; E237-R240 PolarHBondContact O-N 2.96Å; E237-R240 IonicContact OE2-NH1 3.65Å; R240-A242 VanDerWaalsContact C-N 3.3Å; R240-L243 PolarHBondContact O-N 3.32Å
241A86.2Confident85.6Confident83 Ų83111.9 Ų111.969%0.68661%0.61SS**Hα-helixtrans-68.4-31.3174.500000112.1E237 S238 E239E237-A241 WeakPolarHBondContact O-CB 3.37Å; E237-A241 PolarHBondContact O-N 2.97Å; S238-A241 PolarHBondContact O-N 3.31Å; E239-A241 VanDerWaalsContact C-N 3.33Å; E239-A241 PolarHBondContact O-N 3.38Å
242A89.5Confident85.5Confident82 Ų82112.5 Ų112.568%0.67861%0.608SS**Hα-helixtrans-73.1-25.6175.500000113.1S238 E239 R240 G244S238-A242 WeakPolarHBondContact O-CB 3.44Å; S238-A242 PolarHBondContact O-N 3.3Å; E239-A242 CarbonylContact O-C 3.55Å; E239-A242 WeakPolarHBondContact O-CB 3.4Å; E239-A242 PolarHBondContact O-N 3.25Å; E239-A242 VanDerWaalsContact O-N 3.12Å; R240-A242 VanDerWaalsContact C-N 3.3Å; A242-G244 PolarHBondContact O-N 3.34Å
243L84.4Confident85.6Confident121 Ų121114.1 Ų114.163%0.63461%0.613SS**SBendtrans-68.199.3171.6-68.5174.7000109.8E239 R240E239-L243 WeakPolarHBondContact O-CG 3.24Å; E239-L243 PolarHBondContact O-N 2.58Å; R240-L243 PolarHBondContact O-N 3.32Å
244G85Confident85.7Confident50 Ų50111 Ų11152%0.51560%0.602SS.*  trans-61.6179179.400000114.5A242 N246 V247A242-G244 PolarHBondContact O-N 3.34Å; G244-N246 PolarHBondContact O-N 3.28Å; G244-V247 WeakPolarHBondContact O-CG2 3.24Å
245V78.3Confident85.7Confident150 Ų150109.3 Ų109.391%0.90959%0.593SS**SBendtrans-61.3-20.3-170.9-173.80000114.4V247V245-V247 PolarHBondContact O-N 3.18Å
246N77.8Confident85.6Confident166 Ų166109 Ų10989%0.88859%0.591SS**  trans-95.174.7-178.2-65-48.3000111.7G244G244-N246 PolarHBondContact O-N 3.28Å
247V83.4Confident85.4Confident98 Ų98107.9 Ų107.959%0.59460%0.595SS**PPolyproline II helixtrans-95.2134174.5-175.30000110.2G244 V245 R249G244-V247 WeakPolarHBondContact O-CG2 3.24Å; V245-V247 PolarHBondContact O-N 3.18Å; V247-R249 PolarHBondContact O-N 2.96Å
248T83.6Confident85.4Confident118 Ų118108.7 Ų108.772%0.72459%0.594SS**PPolyproline II helixtrans-67.6125.8173.448.20000110.1
249R83.7Confident85.4Confident216 Ų216106.7 Ų106.782%0.81558%0.577SS**PPolyproline II helixtrans-67.7136.8174-65.1-170.4-179.8102.82.2109.6V247 T251 T254V247-R249 PolarHBondContact O-N 2.96Å; R249-T251 PolarHBondContact O-N 3.39Å; R249-T251 VanDerWaalsContact O-N 3.08Å; R249-T254 PolarHBondContact O-OG1 3.37Å; R249-T254 VanDerWaalsContact O-OG1 3.06Å
250I84.7Confident85.4Confident151 Ų151108.9 Ų108.977%0.77458%0.584SS**  trans-78.592.2175.3-57.5173.9000107.7F255I250-F255 HydrophobicContact CG2-CB 4.34Å
251T87.7Confident85.6Confident68 Ų68106.9 Ų106.942%0.41758%0.577SS.*  trans-97.7163.5163.269.60000109.8R249 E253 T254 F255R249-T251 PolarHBondContact O-N 3.39Å; R249-T251 VanDerWaalsContact O-N 3.08Å; T251-E253 VanDerWaalsContact C-N 3.27Å; T251-E253 PolarHBondContact O-N 3.1Å; T251-T254 PolarHBondContact N-OG1 3.11Å; T251-T254 PolarHBondContact O-N 3.22Å; T251-T254 VanDerWaalsContact O-N 3.13Å; T251-T254 PolarHBondContact O-OG1 3.03Å; T251-T254 WeakPolarHBondContact OG1-CG2 3.07Å; T251-T254 PolarHBondContact OG1-N 3.17Å; T251-T254 PolarHBondContact OG1-OG1 3.14Å; T251-F255 WeakPolarHBondContact O-CB 3.39Å; T251-F255 PolarHBondContact O-N 2.91Å
252L83.1Confident85.9Confident69 Ų69106.8 Ų106.836%0.36156%0.561SS.*Hα-helixtrans-53.7-45.2176.7-179.4129.1000112.3T254 F255 L256 P341L252-T254 PolarHBondContact O-N 3.18Å; L252-F255 PolarHBondContact O-N 3.03Å; L252-L256 HydrophobicContact CD2-CD1 3.61Å; L252-L256 HydrophobicContact CD2-CG 4.41Å; L252-L256 HydrophobicContact CG-CD1 4.11Å; L252-L256 HydrophobicContact CG-CG 4.42Å; L252-L256 WeakPolarHBondContact O-CB 3.18Å; L252-L256 WeakPolarHBondContact O-CG 3.34Å; L252-L256 PolarHBondContact O-N 3.1Å; L252-P341 HydrophobicContact CD1-CB 3.36Å; L252-P341 HydrophobicContact CD1-CG 4.26Å
253E84.5Confident85.7Confident153 Ų153108.3 Ų108.372%0.71555%0.549SS*.Hα-helixtrans-60.6-45.9178-61-176156.700111.9T251 F255 L256 A257T251-E253 VanDerWaalsContact C-N 3.27Å; T251-E253 PolarHBondContact O-N 3.1Å; E253-F255 VanDerWaalsContact C-N 3.35Å; E253-F255 PolarHBondContact O-N 3.33Å; E253-L256 PolarHBondContact O-N 3.44Å; E253-A257 WeakPolarHBondContact O-CB 3.22Å; E253-A257 PolarHBondContact O-N 3.01Å
254T86.8Confident85.8Confident58 Ų58107.2 Ų107.236%0.35654%0.541SS..Hα-helixtrans-68.6-33.9178.6610000112.5R249 T251 L252 W258R249-T254 PolarHBondContact O-OG1 3.37Å; R249-T254 VanDerWaalsContact O-OG1 3.06Å; T251-T254 PolarHBondContact N-OG1 3.11Å; T251-T254 PolarHBondContact O-N 3.22Å; T251-T254 VanDerWaalsContact O-N 3.13Å; T251-T254 PolarHBondContact O-OG1 3.03Å; T251-T254 WeakPolarHBondContact OG1-CG2 3.07Å; T251-T254 PolarHBondContact OG1-N 3.17Å; T251-T254 PolarHBondContact OG1-OG1 3.14Å; L252-T254 PolarHBondContact O-N 3.18Å; T254-W258 VanDerWaalsContact O-CB 3.27Å; T254-W258 WeakPolarHBondContact O-CB 3.35Å; T254-W258 PolarHBondContact O-N 3.29Å
255F86.5Confident86.1Confident90 Ų90108.9 Ų108.940%0.39554%0.535SS..Hα-helixtrans-70.1-43.6177.1178.2-102.4000111.4I250 T251 L252 E253 W258 K259I250-F255 HydrophobicContact CG2-CB 4.34Å; T251-F255 WeakPolarHBondContact O-CB 3.39Å; T251-F255 PolarHBondContact O-N 2.91Å; L252-F255 PolarHBondContact O-N 3.03Å; E253-F255 VanDerWaalsContact C-N 3.35Å; E253-F255 PolarHBondContact O-N 3.33Å; F255-W258 HydrophobicContact CD2-CE3 4.05Å; F255-W258 HydrophobicContact CD2-CZ3 4.4Å; F255-W258 AromaticContact CE2-CE3 3.9Å; F255-W258 HydrophobicContact CE2-CE3 3.9Å; F255-W258 AromaticContact CE2-CZ3 3.79Å; F255-W258 HydrophobicContact CE2-CZ3 3.79Å; F255-W258 HydrophobicContact CZ-CZ3 4.41Å; F255-W258 PolarHBondContact O-N 3.42Å; F255-K259 HydrophobicContact CE1-CD 4.32Å; F255-K259 VanDerWaalsContact O-CB 3.3Å; F255-K259 WeakPolarHBondContact O-CB 3.1Å; F255-K259 PolarHBondContact O-N 2.98Å
256L87.1Confident86.5Confident72 Ų72107.7 Ų107.738%0.37752%0.518SS..Hα-helixtrans-63.8-41.2174.8-70.9177000111.5L252 E253 K259 K260 L336L252-L256 HydrophobicContact CD2-CD1 3.61Å; L252-L256 HydrophobicContact CD2-CG 4.41Å; L252-L256 HydrophobicContact CG-CD1 4.11Å; L252-L256 HydrophobicContact CG-CG 4.42Å; L252-L256 WeakPolarHBondContact O-CB 3.18Å; L252-L256 WeakPolarHBondContact O-CG 3.34Å; L252-L256 PolarHBondContact O-N 3.1Å; E253-L256 PolarHBondContact O-N 3.44Å; L256-K259 PolarHBondContact O-N 3.18Å; L256-K260 WeakPolarHBondContact O-CB 3.42Å; L256-K260 PolarHBondContact O-N 3.4Å; L256-L336 HydrophobicContact CD2-CD1 4Å; L256-L336 HydrophobicContact CD2-CD2 4.49Å
257A87.2Confident87Confident63 Ų63101 Ų10152%0.52148%0.482SS..Hα-helixtrans-62.7-43173.700000111.8E253 R261E253-A257 WeakPolarHBondContact O-CB 3.22Å; E253-A257 PolarHBondContact O-N 3.01Å; A257-R261 WeakPolarHBondContact O-CB 3.37Å; A257-R261 PolarHBondContact O-N 3.02Å
258W89.4Confident87.2Confident126 Ų12699.1 Ų99.148%0.47747%0.469SS..Hα-helixtrans-63.1-45174.7172.695.8000112.2T254 F255 R261 K262T254-W258 VanDerWaalsContact O-CB 3.27Å; T254-W258 WeakPolarHBondContact O-CB 3.35Å; T254-W258 PolarHBondContact O-N 3.29Å; F255-W258 HydrophobicContact CD2-CE3 4.05Å; F255-W258 HydrophobicContact CD2-CZ3 4.4Å; F255-W258 AromaticContact CE2-CE3 3.9Å; F255-W258 HydrophobicContact CE2-CE3 3.9Å; F255-W258 AromaticContact CE2-CZ3 3.79Å; F255-W258 HydrophobicContact CE2-CZ3 3.79Å; F255-W258 HydrophobicContact CZ-CZ3 4.41Å; F255-W258 PolarHBondContact O-N 3.42Å; W258-R261 WeakPolarHBondContact O-CB 3.46Å; W258-R261 PolarHBondContact O-N 2.94Å; W258-K262 HydrophobicContact CD2-CG 4.19Å; W258-K262 HydrophobicContact CH2-CG 4.4Å; W258-K262 HydrophobicContact CZ2-CG 3.84Å; W258-K262 WeakPolarHBondContact O-CB 3.3Å; W258-K262 PolarHBondContact O-N 3Å
259K88.1Confident87.6Confident24 Ų2499.7 Ų99.710%0.10446%0.462CS..Hα-helixtrans-65.3-43.6-179.8-175.3169.9177173.50110.9F255 L256 R261 K262 R263 D333 I334 L336F255-K259 HydrophobicContact CE1-CD 4.32Å; F255-K259 VanDerWaalsContact O-CB 3.3Å; F255-K259 WeakPolarHBondContact O-CB 3.1Å; F255-K259 PolarHBondContact O-N 2.98Å; L256-K259 PolarHBondContact O-N 3.18Å; K259-R261 VanDerWaalsContact C-N 3.35Å; K259-R261 PolarHBondContact O-N 3.32Å; K259-K262 PolarHBondContact O-N 2.97Å; K259-R263 WeakPolarHBondContact O-CB 3.21Å; K259-R263 PolarHBondContact O-N 3.39Å; K259-D333 WeakPolarHBondContact CE-OD1 3.33Å; K259-D333 WeakPolarHBondContact CE-OD2 3.33Å; K259-D333 IonicContact NZ-OD1 3.01Å; K259-D333 PolarHBondContact NZ-OD1 3.12Å; K259-D333 IonicContact NZ-OD2 2.62Å; K259-D333 PolarHBondContact NZ-OD2 2.73Å; K259-I334 PolarHBondContact NZ-O 3.02Å; K259-L336 HydrophobicContact CD-CD1 4.15Å; K259-L336 HydrophobicContact CD-CD2 4.5Å
260K89.6Confident87.7Confident161 Ų16190.9 Ų90.970%0.744%0.436SS*.Hα-helixtrans-59.8-45172.9-174.2178.3-178.6178.80111.4L256 R263 Q264L256-K260 WeakPolarHBondContact O-CB 3.42Å; L256-K260 PolarHBondContact O-N 3.4Å; K260-R263 PolarHBondContact O-N 3.16Å; K260-Q264 PolarHBondContact O-N 3.21Å
261R90.4Very high87.8Confident126 Ų12688.6 Ų88.648%0.47542%0.417SS..Hα-helixtrans-62.4-43.8176.5-174.6-174.662.571.34.3111.7A257 W258 K259 Q264 E265A257-R261 WeakPolarHBondContact O-CB 3.37Å; A257-R261 PolarHBondContact O-N 3.02Å; W258-R261 WeakPolarHBondContact O-CB 3.46Å; W258-R261 PolarHBondContact O-N 2.94Å; K259-R261 VanDerWaalsContact C-N 3.35Å; K259-R261 PolarHBondContact O-N 3.32Å; R261-Q264 PolarHBondContact O-N 3.42Å; R261-E265 IonicContact NH1-OE2 3.45Å; R261-E265 PolarHBondContact NH1-OE2 3.25Å; R261-E265 WeakPolarHBondContact O-CB 3.25Å; R261-E265 PolarHBondContact O-N 3.22Å
262K92.2Very high87.9Confident81 Ų8191.7 Ų91.735%0.35243%0.427SS..Hα-helixtrans-68-36.1178.8-85.2-70.1176-164.50113W258 K259 E265 K266W258-K262 HydrophobicContact CD2-CG 4.19Å; W258-K262 HydrophobicContact CH2-CG 4.4Å; W258-K262 HydrophobicContact CZ2-CG 3.84Å; W258-K262 WeakPolarHBondContact O-CB 3.3Å; W258-K262 PolarHBondContact O-N 3Å; K259-K262 PolarHBondContact O-N 2.97Å; K262-E265 WeakPolarHBondContact CD-OE2 3.39Å; K262-E265 WeakPolarHBondContact CE-OE2 3.37Å; K262-E265 VanDerWaalsContact NZ-CD 3.25Å; K262-E265 IonicContact NZ-OE1 3.88Å; K262-E265 PolarHBondContact NZ-OE1 3.4Å; K262-E265 IonicContact NZ-OE2 2.76Å; K262-E265 PolarHBondContact NZ-OE2 3.36Å; K262-E265 PolarHBondContact O-N 2.83Å; K262-K266 PolarHBondContact O-N 3.49Å
263R85.6Confident88.1Confident114 Ų11492.9 Ų92.943%0.4343%0.43SS..Hα-helixtrans-62.4-48.1171.7-172.4-176.4-65.2-177.8-4.9111K259 K260 E265 K266 V267 D333K259-R263 WeakPolarHBondContact O-CB 3.21Å; K259-R263 PolarHBondContact O-N 3.39Å; K260-R263 PolarHBondContact O-N 3.16Å; R263-E265 VanDerWaalsContact C-N 3.34Å; R263-E265 PolarHBondContact O-N 2.96Å; R263-K266 PolarHBondContact O-N 3.44Å; R263-V267 WeakPolarHBondContact O-CG2 3.42Å; R263-V267 PolarHBondContact O-N 3.08Å; R263-D333 IonicContact CZ-OD2 2.99Å; R263-D333 IonicContact NE-OD2 3.41Å; R263-D333 PolarHBondContact NE-OD2 3.23Å; R263-D333 IonicContact NH2-OD2 2.77Å; R263-D333 PolarHBondContact NH2-OD2 2.96Å
264Q86.5Confident88.1Confident98 Ų9889 Ų8946%0.45842%0.415SS..Hα-helixtrans-61-44177.2-168.16347.400111.5K260 R261 K266 V267 D268K260-Q264 PolarHBondContact O-N 3.21Å; R261-Q264 PolarHBondContact O-N 3.42Å; Q264-K266 VanDerWaalsContact C-N 3.3Å; Q264-K266 PolarHBondContact O-N 2.7Å; Q264-V267 PolarHBondContact O-N 2.88Å; Q264-D268 PolarHBondContact NE2-OD1 3.26Å; Q264-D268 WeakPolarHBondContact O-CB 3.28Å; Q264-D268 PolarHBondContact O-N 2.89Å
265E91.3Very high88.1Confident85 Ų8592 Ų9240%0.39743%0.425SS..Hα-helixtrans-58.3-39.6175.7-170.6-174.8143.300112.1R261 K262 R263 K269R261-E265 IonicContact NH1-OE2 3.45Å; R261-E265 PolarHBondContact NH1-OE2 3.25Å; R261-E265 WeakPolarHBondContact O-CB 3.25Å; R261-E265 PolarHBondContact O-N 3.22Å; K262-E265 WeakPolarHBondContact CD-OE2 3.39Å; K262-E265 WeakPolarHBondContact CE-OE2 3.37Å; K262-E265 VanDerWaalsContact NZ-CD 3.25Å; K262-E265 IonicContact NZ-OE1 3.88Å; K262-E265 PolarHBondContact NZ-OE1 3.4Å; K262-E265 IonicContact NZ-OE2 2.76Å; K262-E265 PolarHBondContact NZ-OE2 3.36Å; K262-E265 PolarHBondContact O-N 2.83Å; R263-E265 VanDerWaalsContact C-N 3.34Å; R263-E265 PolarHBondContact O-N 2.96Å; E265-K269 VanDerWaalsContact O-CB 3.27Å; E265-K269 WeakPolarHBondContact O-CB 3.45Å; E265-K269 PolarHBondContact O-N 3.47Å
266K87.9Confident88.1Confident125 Ų12594.6 Ų94.654%0.54344%0.435SS..Hα-helixtrans-69.5-42176.6-171.7168.5177176.20112.1K262 R263 Q264 A270 V331K262-K266 PolarHBondContact O-N 3.49Å; R263-K266 PolarHBondContact O-N 3.44Å; Q264-K266 VanDerWaalsContact C-N 3.3Å; Q264-K266 PolarHBondContact O-N 2.7Å; K266-A270 WeakPolarHBondContact O-CB 3.3Å; K266-A270 PolarHBondContact O-N 2.9Å; K266-V331 HydrophobicContact CD-CG1 3.77Å; K266-V331 HydrophobicContact CD-CG2 4.17Å; K266-V331 HydrophobicContact CG-CG2 4.17Å
267V87.2Confident88Confident24 Ų2494.9 Ų94.915%0.14543%0.434CS..Hα-helixtrans-65-46.4176.1171.30000110.9R263 Q264 K269 A270 R271 V331R263-V267 WeakPolarHBondContact O-CG2 3.42Å; R263-V267 PolarHBondContact O-N 3.08Å; Q264-V267 PolarHBondContact O-N 2.88Å; V267-K269 PolarHBondContact O-N 3.32Å; V267-A270 PolarHBondContact O-N 3.18Å; V267-R271 WeakPolarHBondContact O-CB 3.15Å; V267-R271 PolarHBondContact O-N 3.24Å; V267-V331 HydrophobicContact CG2-CG2 4.13Å
268D88.9Confident87.9Confident60 Ų6097.2 Ų97.232%0.32143%0.432SS..Hα-helixtrans-62.6-44.1178.7-66.3-19.8000110.9Q264 A270 R271 E272Q264-D268 PolarHBondContact NE2-OD1 3.26Å; Q264-D268 WeakPolarHBondContact O-CB 3.28Å; Q264-D268 PolarHBondContact O-N 2.89Å; D268-A270 PolarHBondContact O-N 3.25Å; D268-R271 WeakPolarHBondContact O-CB 3.17Å; D268-R271 PolarHBondContact O-N 3.41Å; D268-E272 WeakPolarHBondContact O-CG 3.32Å; D268-E272 PolarHBondContact O-N 2.97Å
269K90.5Very high87.7Confident129 Ų12994 Ų9456%0.56143%0.432SS*.Hα-helixtrans-61.3-44.2175.2-172.4-175-179.8-161.60112E265 V267 R271 E272 E273E265-K269 VanDerWaalsContact O-CB 3.27Å; E265-K269 WeakPolarHBondContact O-CB 3.45Å; E265-K269 PolarHBondContact O-N 3.47Å; V267-K269 PolarHBondContact O-N 3.32Å; K269-R271 VanDerWaalsContact C-N 3.31Å; K269-R271 PolarHBondContact O-N 3.21Å; K269-E272 PolarHBondContact O-N 3.17Å; K269-E273 WeakPolarHBondContact CE-OE1 3.43Å; K269-E273 IonicContact NZ-OE1 3.48Å; K269-E273 WeakPolarHBondContact O-CG 3.46Å; K269-E273 PolarHBondContact O-N 2.86Å
270A85.9Confident87.5Confident32 Ų3295.5 Ų95.526%0.26444%0.442SS..Hα-helixtrans-63.2-38.617700000111.9K266 V267 D268 E273 L274 T329K266-A270 WeakPolarHBondContact O-CB 3.3Å; K266-A270 PolarHBondContact O-N 2.9Å; V267-A270 PolarHBondContact O-N 3.18Å; D268-A270 PolarHBondContact O-N 3.25Å; A270-E273 PolarHBondContact O-N 2.85Å; A270-L274 VanDerWaalsContact O-CB 3.31Å; A270-L274 WeakPolarHBondContact O-CB 3.4Å; A270-L274 PolarHBondContact O-N 3.31Å; A270-T329 HydrophobicContact CB-CG2 3.9Å
271R87.5Confident87.2Confident102 Ų10289.3 Ų89.339%0.38542%0.415SS..Hα-helixtrans-63.6-46.3174.4-174.3-176.8-73.3162.2-7.3111.5V267 D268 K269 E273 L274 E275 E325V267-R271 WeakPolarHBondContact O-CB 3.15Å; V267-R271 PolarHBondContact O-N 3.24Å; D268-R271 WeakPolarHBondContact O-CB 3.17Å; D268-R271 PolarHBondContact O-N 3.41Å; K269-R271 VanDerWaalsContact C-N 3.31Å; K269-R271 PolarHBondContact O-N 3.21Å; R271-E273 PolarHBondContact O-N 2.9Å; R271-L274 PolarHBondContact O-N 2.94Å; R271-E275 WeakPolarHBondContact O-CG 3.37Å; R271-E275 PolarHBondContact O-N 3.43Å; R271-E325 IonicContact CZ-OE1 2.72Å; R271-E325 IonicContact NE-OE1 2.79Å; R271-E325 IonicContact NH2-OE1 2.64Å; R271-E325 PolarHBondContact NH2-OE1 3.43Å
272E89Confident86.8Confident134 Ų13492.4 Ų92.463%0.62643%0.432SS*.Hα-helixtrans-62.4-42.1176.9-72.9179.8-179.400112.3D268 K269 E275 K276D268-E272 WeakPolarHBondContact O-CG 3.32Å; D268-E272 PolarHBondContact O-N 2.97Å; K269-E272 PolarHBondContact O-N 3.17Å; E272-E275 PolarHBondContact O-N 2.96Å; E272-K276 WeakPolarHBondContact O-CB 3.38Å; E272-K276 PolarHBondContact O-N 2.79Å
273E87.7Confident86.4Confident93 Ų9392 Ų9244%0.43544%0.443SS..Hα-helixtrans-63.8-40.8175.3-75.9178.8-175.100111.9K269 A270 R271 K276 K277K269-E273 WeakPolarHBondContact CE-OE1 3.43Å; K269-E273 IonicContact NZ-OE1 3.48Å; K269-E273 WeakPolarHBondContact O-CG 3.46Å; K269-E273 PolarHBondContact O-N 2.86Å; A270-E273 PolarHBondContact O-N 2.85Å; R271-E273 PolarHBondContact O-N 2.9Å; E273-K276 PolarHBondContact O-N 3.17Å; E273-K277 WeakPolarHBondContact O-CB 3.37Å; E273-K277 VanDerWaalsContact O-CG 3.3Å; E273-K277 WeakPolarHBondContact O-CG 3.33Å; E273-K277 PolarHBondContact O-N 3.4Å
274L84.1Confident86Confident73 Ų7389.4 Ų89.438%0.38245%0.452SS..Hα-helixtrans-65.3-43.1175.5-172155.7000111.4A270 R271 K276 K277 K278 F297A270-L274 VanDerWaalsContact O-CB 3.31Å; A270-L274 WeakPolarHBondContact O-CB 3.4Å; A270-L274 PolarHBondContact O-N 3.31Å; R271-L274 PolarHBondContact O-N 2.94Å; L274-K276 VanDerWaalsContact C-N 3.34Å; L274-K276 PolarHBondContact O-N 2.86Å; L274-K277 PolarHBondContact O-N 3.13Å; L274-K278 WeakPolarHBondContact O-CB 3.43Å; L274-K278 PolarHBondContact O-N 2.9Å; L274-F297 HydrophobicContact CD2-CE1 3.69Å; L274-F297 HydrophobicContact CD2-CZ 4.37Å; L274-F297 HydrophobicContact CG-CE1 3.85Å; L274-F297 HydrophobicContact CG-CZ 4.12Å
275E86.9Confident85.4Confident121 Ų12190.8 Ų90.857%0.56546%0.457SS*.Hα-helixtrans-62.4-40.6174.6-75.8-176.4177.100112.1R271 E272 K278 A279R271-E275 WeakPolarHBondContact O-CG 3.37Å; R271-E275 PolarHBondContact O-N 3.43Å; E272-E275 PolarHBondContact O-N 2.96Å; E275-K278 PolarHBondContact O-N 3.45Å; E275-A279 WeakPolarHBondContact O-CB 3.46Å; E275-A279 PolarHBondContact O-N 3.28Å
276K87.4Confident84.1Confident143 Ų14389.9 Ų89.962%0.62246%0.46SS*.Hα-helixtrans-64.2-46175-173.9-177.5176-173.20111.4E272 E273 L274 K278 A279 D280E272-K276 WeakPolarHBondContact O-CB 3.38Å; E272-K276 PolarHBondContact O-N 2.79Å; E273-K276 PolarHBondContact O-N 3.17Å; L274-K276 VanDerWaalsContact C-N 3.34Å; L274-K276 PolarHBondContact O-N 2.86Å; K276-K278 VanDerWaalsContact C-N 3.32Å; K276-K278 PolarHBondContact O-N 2.96Å; K276-A279 WeakPolarHBondContact O-CB 3.46Å; K276-A279 PolarHBondContact O-N 2.85Å; K276-A279 VanDerWaalsContact O-N 3.16Å; K276-D280 WeakPolarHBondContact O-CB 3.45Å; K276-D280 PolarHBondContact O-N 3.29Å
277K84.9Confident82.8Confident78 Ų7892.3 Ų92.334%0.33948%0.477SS..Hα-helixtrans-59.4-42.2174.4-75.8174.6174.4-176.80111.7E273 L274 D280 F281 E293 F297E273-K277 WeakPolarHBondContact O-CB 3.37Å; E273-K277 VanDerWaalsContact O-CG 3.3Å; E273-K277 WeakPolarHBondContact O-CG 3.33Å; E273-K277 PolarHBondContact O-N 3.4Å; L274-K277 PolarHBondContact O-N 3.13Å; K277-D280 PolarHBondContact O-N 3.06Å; K277-F281 WeakPolarHBondContact O-CB 3.18Å; K277-F281 PolarHBondContact O-N 3.38Å; K277-E293 IonicContact NZ-OE1 3.33Å; K277-E293 PolarHBondContact NZ-OE1 2.82Å; K277-F297 HydrophobicContact CB-CE2 4Å; K277-F297 HydrophobicContact CB-CZ 4.06Å
278K84.5Confident81.7Confident113 Ų11398 Ų9849%0.49151%0.506SS..Hα-helixtrans-64.1-39.2175.1-172.5174.5-176.7172.30111.9L274 E275 K276 K282 F297L274-K278 WeakPolarHBondContact O-CB 3.43Å; L274-K278 PolarHBondContact O-N 2.9Å; E275-K278 PolarHBondContact O-N 3.45Å; K276-K278 VanDerWaalsContact C-N 3.32Å; K276-K278 PolarHBondContact O-N 2.96Å; K278-K282 WeakPolarHBondContact O-CB 3.16Å; K278-K282 PolarHBondContact O-N 3.41Å; K278-F297 HydrophobicContact CB-CD1 4.05Å; K278-F297 HydrophobicContact CB-CE1 4.14Å; K278-F297 HydrophobicContact CB-CG 4.29Å; K278-F297 HydrophobicContact CB-CZ 4.44Å; K278-F297 HydrophobicContact CD-CD1 4.23Å; K278-F297 HydrophobicContact CG-CB 4.44Å; K278-F297 HydrophobicContact CG-CD1 4.07Å; K278-F297 HydrophobicContact CG-CG 4.22Å
279A85.7Confident81Confident58 Ų5896 Ų9648%0.47950%0.496SS..Hα-helixtrans-67.7-42.7175.300000112.3E275 K276 K282 A283E275-A279 WeakPolarHBondContact O-CB 3.46Å; E275-A279 PolarHBondContact O-N 3.28Å; K276-A279 WeakPolarHBondContact O-CB 3.46Å; K276-A279 PolarHBondContact O-N 2.85Å; K276-A279 VanDerWaalsContact O-N 3.16Å; A279-K282 PolarHBondContact O-N 2.71Å; A279-A283 WeakPolarHBondContact O-CB 3.33Å; A279-A283 PolarHBondContact O-N 3.25Å
280D84.4Confident80.6Confident56 Ų5693.1 Ų93.130%0.29949%0.492SS..Hα-helixtrans-64.6-39.5175.2-78.6-35.2000111.5K276 K277 A283 G284 K285K276-D280 WeakPolarHBondContact O-CB 3.45Å; K276-D280 PolarHBondContact O-N 3.29Å; K277-D280 PolarHBondContact O-N 3.06Å; D280-A283 CarbonylContact O-C 3.15Å; D280-A283 PolarHBondContact O-N 3.48Å; D280-G284 PolarHBondContact O-N 3.09Å; D280-K285 HydrophobicContact CB-CB 4.45Å; D280-K285 WeakPolarHBondContact O-CB 3.19Å; D280-K285 PolarHBondContact O-N 3.05Å
281F82.1Confident80.1Confident31 Ų3193.8 Ų93.814%0.13650%0.502CS..Hα-helixtrans-60.7-48.6171.9-176.4-100.6000111.6K277 A283 G284 V289 V294 F297 R298K277-F281 WeakPolarHBondContact O-CB 3.18Å; K277-F281 PolarHBondContact O-N 3.38Å; F281-A283 PolarHBondContact O-N 3.18Å; F281-G284 PolarHBondContact O-N 3.29Å; F281-V289 HydrophobicContact CB-CG2 4.21Å; F281-V289 HydrophobicContact CD2-CB 4.41Å; F281-V289 HydrophobicContact CD2-CG1 4.41Å; F281-V289 HydrophobicContact CD2-CG2 4.34Å; F281-V294 HydrophobicContact CD2-CG2 4.33Å; F281-V294 HydrophobicContact CE2-CB 4.23Å; F281-V294 HydrophobicContact CE2-CG1 3.79Å; F281-V294 HydrophobicContact CE2-CG2 3.82Å; F281-V294 HydrophobicContact CZ-CG1 3.86Å; F281-F297 HydrophobicContact CB-CD2 4.27Å; F281-F297 HydrophobicContact CD1-CB 4.09Å; F281-F297 HydrophobicContact CE1-CB 4.44Å; F281-F297 HydrophobicContact CG-CD2 4.37Å; F281-R298 HydrophobicContact CE1-CB 3.89Å; F281-R298 HydrophobicContact CZ-CB 4.35Å
282K81.8Confident79.7Confident191 Ų19196.9 Ų96.983%0.8351%0.514SS*.Hα-helixtrans-62.7-30.2176.6-169.9174.2-176.1173.50112.6K278 A279 G284K278-K282 WeakPolarHBondContact O-CB 3.16Å; K278-K282 PolarHBondContact O-N 3.41Å; A279-K282 PolarHBondContact O-N 2.71Å; K282-G284 PolarHBondContact O-N 3.25Å
283A85.1Confident79.2Confident72 Ų7292.4 Ų92.460%0.59549%0.493SS*.THydrogen-bonded Turntrans-78.82.9174.400000113.8A279 D280 F281A279-A283 WeakPolarHBondContact O-CB 3.33Å; A279-A283 PolarHBondContact O-N 3.25Å; D280-A283 CarbonylContact O-C 3.15Å; D280-A283 PolarHBondContact O-N 3.48Å; F281-A283 PolarHBondContact O-N 3.18Å
284G75.8Confident78.9Confident60 Ų6089.4 Ų89.462%0.61948%0.48SS*.THydrogen-bonded Turntrans8312.3176.400000114.6D280 F281 K282 S286D280-G284 PolarHBondContact O-N 3.09Å; F281-G284 PolarHBondContact O-N 3.29Å; K282-G284 PolarHBondContact O-N 3.25Å; G284-S286 VanDerWaalsContact C-N 3.27Å; G284-S286 PolarHBondContact O-N 3.16Å
285K74.7Confident78.6Confident127 Ų12791.3 Ų91.355%0.55249%0.486SS*.  trans-91.159.6172.9-65.4172.7177.3-171.70110D280 L287D280-K285 HydrophobicContact CB-CB 4.45Å; D280-K285 WeakPolarHBondContact O-CB 3.19Å; D280-K285 PolarHBondContact O-N 3.05Å; K285-L287 PolarHBondContact O-N 2.88Å
286S63.7Low78.1Confident66 Ų6689.3 Ų89.346%0.46248%0.477SS..G310 helixtrans-71.2-12.4-177.157.60000114.4G284 I288 V289G284-S286 VanDerWaalsContact C-N 3.27Å; G284-S286 PolarHBondContact O-N 3.16Å; S286-I288 PolarHBondContact O-N 3.32Å; S286-V289 PolarHBondContact O-N 3.05Å
287L60.2Low77.8Confident175 Ų17583.7 Ų83.792%0.91645%0.452SS*.G310 helixtrans-65.8-16.1-175.8-82.9151.8000115K285K285-L287 PolarHBondContact O-N 2.88Å
288I63.9Low77.3Confident144 Ų14485.7 Ų85.774%0.73846%0.458SS*.G310 helixtrans-106.5-5.2-175.2-56174.5000111.5S286S286-I288 PolarHBondContact O-N 3.32Å
289V75.8Confident76.8Confident18 Ų1884.5 Ų84.511%0.10946%0.461CS..SBendtrans-98.8130.3-174.6-177.90000109.1F281 S286 E293 V294 F297F281-V289 HydrophobicContact CB-CG2 4.21Å; F281-V289 HydrophobicContact CD2-CB 4.41Å; F281-V289 HydrophobicContact CD2-CG1 4.41Å; F281-V289 HydrophobicContact CD2-CG2 4.34Å; S286-V289 PolarHBondContact O-N 3.05Å; V289-E293 HydrophobicContact CG1-CB 3.42Å; V289-E293 VanDerWaalsContact CG1-CB 3.42Å; V289-V294 HydrophobicContact CB-CG2 4.21Å; V289-V294 HydrophobicContact CG1-CG2 3.81Å; V289-F297 HydrophobicContact CG1-CD2 3.85Å; V289-F297 HydrophobicContact CG1-CE2 3.68Å
290S81Confident76Confident68 Ų6888.4 Ų88.448%0.47647%0.47SS..  trans-63146.8177.8175.10000110.5R292 E293 V294S290-R292 PolarHBondContact O-N 2.98Å; S290-R292 VanDerWaalsContact O-N 3.1Å; S290-E293 PolarHBondContact N-OE2 2.86Å; S290-E293 WeakPolarHBondContact O-CA 3.38Å; S290-E293 WeakPolarHBondContact O-CB 3.47Å; S290-E293 PolarHBondContact O-N 2.98Å; S290-V294 WeakPolarHBondContact O-CG2 3.29Å; S290-V294 PolarHBondContact O-N 3.45Å
291G75.8Confident75.1Confident47 Ų4789.2 Ų89.249%0.48547%0.474SS..Hα-helixtrans-53.6-34.8179.100000113.2V294 F295G291-V294 WeakPolarHBondContact O-CB 3.13Å; G291-V294 PolarHBondContact O-N 2.62Å; G291-F295 WeakPolarHBondContact O-CD2 3.42Å; G291-F295 PolarHBondContact O-N 2.87Å
292R78.8Confident74.2Confident167 Ų16792 Ų9263%0.6349%0.493SS*.Hα-helixtrans-64.7-45.9173.2-178.4180170.7-170.30.8112.3S290 V294 F295 E296S290-R292 PolarHBondContact O-N 2.98Å; S290-R292 VanDerWaalsContact O-N 3.1Å; R292-V294 PolarHBondContact O-N 3.27Å; R292-F295 PolarHBondContact O-N 2.97Å; R292-E296 IonicContact CZ-OE1 3.52Å; R292-E296 IonicContact NE-OE1 3.44Å; R292-E296 PolarHBondContact NE-OE1 3Å; R292-E296 IonicContact NH2-OE1 2.73Å; R292-E296 PolarHBondContact NH2-OE1 3.44Å; R292-E296 PolarHBondContact O-N 3.21Å
293E79.6Confident73.3Confident40 Ų4088.3 Ų88.319%0.18748%0.482CS..Hα-helixtrans-64-31.6178.1-66.6174.3151.200111.2K277 V289 S290 F295 E296 F297K277-E293 IonicContact NZ-OE1 3.33Å; K277-E293 PolarHBondContact NZ-OE1 2.82Å; V289-E293 HydrophobicContact CG1-CB 3.42Å; V289-E293 VanDerWaalsContact CG1-CB 3.42Å; S290-E293 PolarHBondContact N-OE2 2.86Å; S290-E293 WeakPolarHBondContact O-CA 3.38Å; S290-E293 WeakPolarHBondContact O-CB 3.47Å; S290-E293 PolarHBondContact O-N 2.98Å; E293-F295 PolarHBondContact O-N 3.4Å; E293-E296 PolarHBondContact O-N 3.44Å; E293-F297 HydrophobicContact CB-CD2 4.26Å; E293-F297 HydrophobicContact CB-CE2 3.73Å; E293-F297 HydrophobicContact CB-CZ 4.11Å; E293-F297 WeakPolarHBondContact O-CB 3.35Å; E293-F297 WeakPolarHBondContact O-CD2 3.4Å; E293-F297 WeakPolarHBondContact O-CG 3.46Å; E293-F297 PolarHBondContact O-N 3.33Å
294V79.9Confident71.9Confident29 Ų2991 Ų9118%0.17649%0.487CS..Hα-helixtrans-61.2-42.4174.8173.90000111.8F281 V289 S290 G291 R292 R298F281-V294 HydrophobicContact CD2-CG2 4.33Å; F281-V294 HydrophobicContact CE2-CB 4.23Å; F281-V294 HydrophobicContact CE2-CG1 3.79Å; F281-V294 HydrophobicContact CE2-CG2 3.82Å; F281-V294 HydrophobicContact CZ-CG1 3.86Å; V289-V294 HydrophobicContact CB-CG2 4.21Å; V289-V294 HydrophobicContact CG1-CG2 3.81Å; S290-V294 WeakPolarHBondContact O-CG2 3.29Å; S290-V294 PolarHBondContact O-N 3.45Å; G291-V294 WeakPolarHBondContact O-CB 3.13Å; G291-V294 PolarHBondContact O-N 2.62Å; R292-V294 PolarHBondContact O-N 3.27Å; V294-R298 PolarHBondContact O-N 3.5Å; V294-R298 VanDerWaalsContact O-N 3.1Å
295F77.6Confident70.8Confident114 Ų11495.6 Ų95.650%0.550%0.497SS..Hα-helixtrans-70.6-35.1176.7-70.7-71.3000112.6G291 R292 E293 R298 V302G291-F295 WeakPolarHBondContact O-CD2 3.42Å; G291-F295 PolarHBondContact O-N 2.87Å; R292-F295 PolarHBondContact O-N 2.97Å; E293-F295 PolarHBondContact O-N 3.4Å; F295-R298 CarbonylContact O-C 3.59Å; F295-V302 HydrophobicContact CD1-CG2 3.7Å; F295-V302 HydrophobicContact CE1-CG2 3.91Å
296E78Confident69.7Low79 Ų7993.8 Ų93.837%0.36949%0.493SS..Hα-helixtrans-70.4-34.7175.9-69.7172.8-173.300112.2R292 E293R292-E296 IonicContact CZ-OE1 3.52Å; R292-E296 IonicContact NE-OE1 3.44Å; R292-E296 PolarHBondContact NE-OE1 3Å; R292-E296 IonicContact NH2-OE1 2.73Å; R292-E296 PolarHBondContact NH2-OE1 3.44Å; R292-E296 PolarHBondContact O-N 3.21Å; E293-E296 PolarHBondContact O-N 3.44Å
297F79.7Confident69.3Low24 Ų2498.5 Ų98.511%0.10551%0.513CS..Hα-helixtrans-83-24.3179.9-61-28.9000114.5L274 K277 K278 F281 V289 E293L274-F297 HydrophobicContact CD2-CE1 3.69Å; L274-F297 HydrophobicContact CD2-CZ 4.37Å; L274-F297 HydrophobicContact CG-CE1 3.85Å; L274-F297 HydrophobicContact CG-CZ 4.12Å; K277-F297 HydrophobicContact CB-CE2 4Å; K277-F297 HydrophobicContact CB-CZ 4.06Å; K278-F297 HydrophobicContact CB-CD1 4.05Å; K278-F297 HydrophobicContact CB-CE1 4.14Å; K278-F297 HydrophobicContact CB-CG 4.29Å; K278-F297 HydrophobicContact CB-CZ 4.44Å; K278-F297 HydrophobicContact CD-CD1 4.23Å; K278-F297 HydrophobicContact CG-CB 4.44Å; K278-F297 HydrophobicContact CG-CD1 4.07Å; K278-F297 HydrophobicContact CG-CG 4.22Å; F281-F297 HydrophobicContact CB-CD2 4.27Å; F281-F297 HydrophobicContact CD1-CB 4.09Å; F281-F297 HydrophobicContact CE1-CB 4.44Å; F281-F297 HydrophobicContact CG-CD2 4.37Å; V289-F297 HydrophobicContact CG1-CD2 3.85Å; V289-F297 HydrophobicContact CG1-CE2 3.68Å; E293-F297 HydrophobicContact CB-CD2 4.26Å; E293-F297 HydrophobicContact CB-CE2 3.73Å; E293-F297 HydrophobicContact CB-CZ 4.11Å; E293-F297 WeakPolarHBondContact O-CB 3.35Å; E293-F297 WeakPolarHBondContact O-CD2 3.4Å; E293-F297 WeakPolarHBondContact O-CG 3.46Å; E293-F297 PolarHBondContact O-N 3.33Å
298R74.8Confident69.2Low121 Ų12199.3 Ų99.346%0.45751%0.512SS..  trans-139.978.6178.2-163.8161.4-177.1-166.90.7111.3F281 V294 F295 E300 L301F281-R298 HydrophobicContact CE1-CB 3.89Å; F281-R298 HydrophobicContact CZ-CB 4.35Å; V294-R298 PolarHBondContact O-N 3.5Å; V294-R298 VanDerWaalsContact O-N 3.1Å; F295-R298 CarbonylContact O-C 3.59Å; R298-E300 PolarHBondContact O-N 2.85Å; R298-L301 HydrophobicContact CB-CD1 4.44Å; R298-L301 HydrophobicContact CG-CD1 3.9Å; R298-L301 WeakPolarHBondContact O-CB 3.5Å; R298-L301 PolarHBondContact O-N 2.89Å; R298-L301 VanDerWaalsContact O-N 3.11Å
299P74.9Confident68.5Low87 Ų8795.3 Ų95.357%0.56550%0.501SS*.G310 helixtrans-56.4-31.4179.1-26.135.3000113.7L301 V302P299-L301 PolarHBondContact O-N 3.21Å; P299-V302 PolarHBondContact O-N 3.07Å
300E68Low67.4Low141 Ų141102 Ų10266%0.65954%0.536SS*.G310 helixtrans-65.3-15.9179.7-61.4179.9166.500114.2R298 V302 D303R298-E300 PolarHBondContact O-N 2.85Å; E300-V302 PolarHBondContact O-N 3.28Å; E300-D303 PolarHBondContact O-N 3.5Å
301L65.4Low65.8Low73 Ų73105.2 Ų105.238%0.38255%0.548SS..G310 helixtrans-70.2-13.1177.9-129.2100.4000113.1R298 P299R298-L301 HydrophobicContact CB-CD1 4.44Å; R298-L301 HydrophobicContact CG-CD1 3.9Å; R298-L301 WeakPolarHBondContact O-CB 3.5Å; R298-L301 PolarHBondContact O-N 2.89Å; R298-L301 VanDerWaalsContact O-N 3.11Å; P299-L301 PolarHBondContact O-N 3.21Å
302V63.7Low64.7Low88 Ų88108.1 Ų108.153%0.53356%0.556SS.*G310 helixtrans-73.5-29175.4160.30000111.9F295 P299 E300F295-V302 HydrophobicContact CD1-CG2 3.7Å; F295-V302 HydrophobicContact CE1-CG2 3.91Å; P299-V302 PolarHBondContact O-N 3.07Å; E300-V302 PolarHBondContact O-N 3.28Å
303D62.2Low63.2Low115 Ų115108.8 Ų108.862%0.61557%0.567SS**THydrogen-bonded Turntrans-96-17.2-172.3-57.5-45.7000113.4E300 D305E300-D303 PolarHBondContact O-N 3.5Å; D303-D305 PolarHBondContact O-N 3.29Å
304D57.5Low61.9Low128 Ų128117.2 Ų117.268%0.68460%0.598SS**THydrogen-bonded Turntrans-77.8-13.9-175.4-96.2-11.2000114.2
305D51Low60.2Low156 Ų156119.4 Ų119.483%0.83462%0.62SS**THydrogen-bonded Turntrans-101.14.4179.9-121.7-6000112.9D303D303-D305 PolarHBondContact O-N 3.29Å
306D52Low58.7Low89 Ų89120 Ų12048%0.47663%0.628SS.*  trans-100.911.8-172.1-158.233.6000114.9E308 A309D306-E308 PolarHBondContact O-N 3.27Å; D306-A309 VanDerWaalsContact OD1-O 3.08Å
307D55.6Low57.2Low165 Ų165124.9 Ų124.988%0.88265%0.651SS**SBendtrans-76.4-2.4174.9-88.6-31.4000113.3
308E58.6Low55.4Low192 Ų192129.2 Ų129.290%0.89768%0.679SS**SBendtrans-128.84.3-176.9-159.686.7-144.400114.6D306D306-E308 PolarHBondContact O-N 3.27Å
309A47.9Very low53.8Low60 Ų60131.2 Ų131.250%0.49669%0.691SS.*  trans-13591.1179.200000113.3D306 D311D306-A309 VanDerWaalsContact OD1-O 3.08Å; A309-D311 PolarHBondContact O-N 3.2Å
310D52.7Low52Low160 Ų160135.9 Ų135.986%0.85671%0.705SS**  trans-58.9101.1163.8-177.731.6000110.3
311D48.8Very low50.6Low135 Ų135138.6 Ų138.672%0.72272%0.718SS**  trans-169.7110.2145.5-108.4-26.5000113.9A309A309-D311 PolarHBondContact O-N 3.2Å
312T51.4Low49Very low107 Ų107141.7 Ų141.766%0.65674%0.735SS**  trans65.984.7153.459.10000119.1Y314T312-Y314 PolarHBondContact O-N 2.96Å
313Q48.3Very low48Very low182 Ų182146.8 Ų146.885%0.8575%0.753SS**  trans-59.4107.3153.2-81.9-179.1-4.100110.1A315Q313-A315 PolarHBondContact O-N 2.98Å; Q313-A315 VanDerWaalsContact O-N 3.14Å
314Y51.3Low46.7Very low217 Ų217147.9 Ų147.985%0.85176%0.755SS**  trans-73.594.9157.4-90.5-91.6000107.5T312 D316T312-Y314 PolarHBondContact O-N 2.96Å; Y314-D316 PolarHBondContact O-N 3.43Å
315A44.7Very low46Very low75 Ų75148.5 Ų148.562%0.6275%0.753SS**  trans-65.4102.2165.700000108.2Q313 E317Q313-A315 PolarHBondContact O-N 2.98Å; Q313-A315 VanDerWaalsContact O-N 3.14Å; A315-E317 HydrophobicContact CB-CG 4.25Å; A315-E317 PolarHBondContact O-N 2.86Å
316D45.8Very low45.3Very low127 Ų127144.8 Ų144.868%0.67974%0.737SS**  trans-73.382162.8-166.834.4000107.3Y314 T318Y314-D316 PolarHBondContact O-N 3.43Å; D316-T318 PolarHBondContact O-N 3.46Å
317E46.1Very low44.9Very low180 Ų180146.3 Ų146.384%0.84174%0.744SS**  trans-7055.1173.5-71.5-170.7156.600110.6A315A315-E317 HydrophobicContact CB-CG 4.25Å; A315-E317 PolarHBondContact O-N 2.86Å
318T43.1Very low44.3Very low116 Ų116143.4 Ų143.471%0.71273%0.729SS**  trans-16053.9164.3-25.30000113.7D316D316-T318 PolarHBondContact O-N 3.46Å
319K39.9Very low43.8Very low163 Ų163136.2 Ų136.271%0.70970%0.698SS**  trans-137.185.4154.2-95.3174.8-174178.10109.5
320E37.5Very low43.9Very low184 Ų184139.7 Ų139.786%0.8671%0.708SS**  trans-52.7151.6152.8-64.2-129157.600108.5D322E320-D322 PolarHBondContact O-N 3.24Å
321E39.2Very low44.2Very low199 Ų199133.7 Ų133.793%0.9368%0.677SS**SBendtrans-62.255.5-179.1-57.8168.8165.100112.8
322D32.2Very low44.6Very low137 Ų137136.3 Ų136.373%0.73369%0.685SS**  trans-82114.3154.1-102.8-32.3000106.1E320 E324E320-D322 PolarHBondContact O-N 3.24Å; D322-E324 HydrophobicContact CB-CG 4.32Å; D322-E324 PolarHBondContact O-N 2.89Å
323E41.2Very low45Very low195 Ų195134 Ų13491%0.91167%0.668SS**  trans-59.858.5157-65.6173.6156.400109.1E325E323-E325 PolarHBondContact O-N 3.48Å
324E35.9Very low46Very low139 Ų139130.5 Ų130.565%0.6565%0.654SS**  trans-63.589.9159.2-85-174.9168.400104.9D322 T326D322-E324 HydrophobicContact CB-CG 4.32Å; D322-E324 PolarHBondContact O-N 2.89Å; E324-T326 PolarHBondContact O-N 2.83Å
325E42Very low46.6Very low141 Ų141123 Ų12366%0.65963%0.629SS**  trans-39.788.2145.7-178178.9-163.700105.4R271 E323 D327R271-E325 IonicContact CZ-OE1 2.72Å; R271-E325 IonicContact NE-OE1 2.79Å; R271-E325 IonicContact NH2-OE1 2.64Å; R271-E325 PolarHBondContact NH2-OE1 3.43Å; E323-E325 PolarHBondContact O-N 3.48Å; E325-D327 PolarHBondContact O-N 3.39Å
326T36.2Very low47.5Very low78 Ų78123 Ų12348%0.47962%0.618SS.*  trans-56.2114.4171.940.90000103.4E324 L328E324-T326 PolarHBondContact O-N 2.83Å; T326-L328 WeakPolarHBondContact O-CG 3.42Å; T326-L328 PolarHBondContact O-N 3.45Å; T326-L328 WeakPolarHBondContact OG1-CD1 3.28Å; T326-L328 WeakPolarHBondContact OG1-CG 3.4Å
327D44.3Very low48.5Very low120 Ų120121.7 Ų121.764%0.64262%0.619SS**  trans-65.665.4179.1-167.714.5000108.1E325 T329E325-D327 PolarHBondContact O-N 3.39Å; D327-T329 PolarHBondContact O-N 3.32Å
328L42.5Very low49.5Very low105 Ų105122.4 Ų122.455%0.5561%0.614SS.*  trans-79.7-1.8-176.2-67.6177000111T326 D330T326-L328 WeakPolarHBondContact O-CG 3.42Å; T326-L328 PolarHBondContact O-N 3.45Å; T326-L328 WeakPolarHBondContact OG1-CD1 3.28Å; T326-L328 WeakPolarHBondContact OG1-CG 3.4Å; L328-D330 VanDerWaalsContact C-N 3.34Å
329T48.4Very low50.9Low41 Ų41123 Ų12325%0.25261%0.607SS.*  trans-10147.416755.80000110.2A270 D327 V331A270-T329 HydrophobicContact CB-CG2 3.9Å; D327-T329 PolarHBondContact O-N 3.32Å; T329-V331 PolarHBondContact O-N 3.28Å
330D50.9Low52.3Low133 Ų133123 Ų12371%0.71161%0.613SS**  trans-6881.4167.3-161.414.5000107.8L328 Q332L328-D330 VanDerWaalsContact C-N 3.34Å; D330-Q332 PolarHBondContact O-N 3.46Å
331V58.3Low53.6Low34 Ų34118.6 Ų118.621%0.20660%0.6CS.*  trans-62.5105.6174.6174.90000105.4K266 V267 T329 D333K266-V331 HydrophobicContact CD-CG1 3.77Å; K266-V331 HydrophobicContact CD-CG2 4.17Å; K266-V331 HydrophobicContact CG-CG2 4.17Å; V267-V331 HydrophobicContact CG2-CG2 4.13Å; T329-V331 PolarHBondContact O-N 3.28Å; V331-D333 VanDerWaalsContact C-N 3.34Å; V331-D333 PolarHBondContact O-N 2.77Å
332Q57.1Low55.1Low190 Ų190117.2 Ų117.289%0.88859%0.594SS**  trans-56.8101.5172.5-64.9-172.523.100108.2D330D330-Q332 PolarHBondContact O-N 3.46Å
333D60.5Low56.4Low57 Ų57117.7 Ų117.731%0.30559%0.592SS.*  trans-120.9152.9178.8-170.9-1.4000107.7K259 R263 V331 D335K259-D333 WeakPolarHBondContact CE-OD1 3.33Å; K259-D333 WeakPolarHBondContact CE-OD2 3.33Å; K259-D333 IonicContact NZ-OD1 3.01Å; K259-D333 PolarHBondContact NZ-OD1 3.12Å; K259-D333 IonicContact NZ-OD2 2.62Å; K259-D333 PolarHBondContact NZ-OD2 2.73Å; R263-D333 IonicContact CZ-OD2 2.99Å; R263-D333 IonicContact NE-OD2 3.41Å; R263-D333 PolarHBondContact NE-OD2 3.23Å; R263-D333 IonicContact NH2-OD2 2.77Å; R263-D333 PolarHBondContact NH2-OD2 2.96Å; V331-D333 VanDerWaalsContact C-N 3.34Å; V331-D333 PolarHBondContact O-N 2.77Å; D333-D335 PolarHBondContact O-N 3.44Å
334I68.8Low57.5Low109 Ų109113.5 Ų113.556%0.55958%0.58SS**  trans-59.9113.7176.7-59.6169.5000107.9K259 L336 F339K259-I334 PolarHBondContact NZ-O 3.02Å; I334-L336 PolarHBondContact O-N 3.34Å; I334-F339 HydrophobicContact CG2-CD2 4.1Å; I334-F339 HydrophobicContact CG2-CE2 3.34Å; I334-F339 HydrophobicContact CG2-CZ 4.06Å
335D64.1Low58.3Low60 Ų60113 Ų11332%0.32158%0.581SS.*  trans-62.6100.7178178.710.5000110D333 S337 R338D333-D335 PolarHBondContact O-N 3.44Å; D335-S337 PolarHBondContact O-N 3Å; D335-S337 VanDerWaalsContact O-N 3.13Å; D335-S337 VanDerWaalsContact OD1-CB 3.28Å; D335-S337 WeakPolarHBondContact OD1-CB 3.34Å; D335-S337 PolarHBondContact OD1-N 3.5Å; D335-S337 PolarHBondContact OD1-OG 2.88Å; D335-S337 PolarHBondContact OD2-OG 3.36Å; D335-R338 HydrophobicContact CB-CG 4.12Å; D335-R338 WeakPolarHBondContact O-CB 3.18Å; D335-R338 PolarHBondContact O-N 2.87Å; D335-R338 IonicContact OD2-CZ 3.87Å; D335-R338 IonicContact OD2-NE 3.36Å; D335-R338 PolarHBondContact OD2-NE 3.17Å; D335-R338 IonicContact OD2-NH2 3.63Å
336L63.4Low59.2Low74 Ų74113.5 Ų113.539%0.38758%0.583SS.*G310 helixtrans-61.6-18.6-179.5-68.9160.5000112.3L256 K259 I334 R338 F339L256-L336 HydrophobicContact CD2-CD1 4Å; L256-L336 HydrophobicContact CD2-CD2 4.49Å; K259-L336 HydrophobicContact CD-CD1 4.15Å; K259-L336 HydrophobicContact CD-CD2 4.5Å; I334-L336 PolarHBondContact O-N 3.34Å; L336-R338 PolarHBondContact O-N 2.97Å; L336-F339 PolarHBondContact O-N 3.25Å; L336-F339 VanDerWaalsContact O-O 3.11Å
337S66.5Low60.1Low100 Ų100116 Ų11670%0.69960%0.599SS**G310 helixtrans-69.4-14.1175.175.80000113.1D335D335-S337 PolarHBondContact O-N 3Å; D335-S337 VanDerWaalsContact O-N 3.13Å; D335-S337 VanDerWaalsContact OD1-CB 3.28Å; D335-S337 WeakPolarHBondContact OD1-CB 3.34Å; D335-S337 PolarHBondContact OD1-N 3.5Å; D335-S337 PolarHBondContact OD1-OG 2.88Å; D335-S337 PolarHBondContact OD2-OG 3.36Å
338R67.2Low60.6Low196 Ų196113.5 Ų113.574%0.7460%0.602SS**G310 helixtrans-85.1-9.8175.4-60178.6-169.9167-1.1113.5D335 L336D335-R338 HydrophobicContact CB-CG 4.12Å; D335-R338 WeakPolarHBondContact O-CB 3.18Å; D335-R338 PolarHBondContact O-N 2.87Å; D335-R338 IonicContact OD2-CZ 3.87Å; D335-R338 IonicContact OD2-NE 3.36Å; D335-R338 PolarHBondContact OD2-NE 3.17Å; D335-R338 IonicContact OD2-NH2 3.63Å; L336-R338 PolarHBondContact O-N 2.97Å
339F72.1Confident61Low127 Ų127113.8 Ų113.856%0.55760%0.602SS**SBendtrans-117.8128.6-177.8-61.9-86.2000110I334 L336 P341I334-F339 HydrophobicContact CG2-CD2 4.1Å; I334-F339 HydrophobicContact CG2-CE2 3.34Å; I334-F339 HydrophobicContact CG2-CZ 4.06Å; L336-F339 PolarHBondContact O-N 3.25Å; L336-F339 VanDerWaalsContact O-O 3.11Å; F339-P341 VanDerWaalsContact O-CD 3.3Å; F339-P341 WeakPolarHBondContact O-CD 3.42Å
340I71.1Confident61Low163 Ų163117.7 Ų117.784%0.83663%0.626SS**  trans-84115.3171.2-60.3172.7000106.7Q342I340-Q342 PolarHBondContact O-N 3.38Å; I340-Q342 VanDerWaalsContact O-N 3.14Å
341P64.6Low61.1Low92 Ų92117.3 Ų117.360%0.59763%0.628SS**PPolyproline II helixtrans-68.7116.5177.7-13.228000110.2L252 F339L252-P341 HydrophobicContact CD1-CB 3.36Å; L252-P341 HydrophobicContact CD1-CG 4.26Å; F339-P341 VanDerWaalsContact O-CD 3.3Å; F339-P341 WeakPolarHBondContact O-CD 3.42Å
342Q69.4Low60.5Low170 Ų170119.1 Ų119.179%0.79465%0.647SS**PPolyproline II helixtrans-103.3116.2173.1-174.5172.5-0.700108.4I340 V344I340-Q342 PolarHBondContact O-N 3.38Å; I340-Q342 VanDerWaalsContact O-N 3.14Å; Q342-V344 PolarHBondContact O-N 2.64Å
343E60.7Low60.2Low147 Ų147114 Ų11469%0.68763%0.632SS**PPolyproline II helixtrans-72.3118.1168.8-65.4-169.8157.200108.2
344V64Low59.8Low108 Ų108118.4 Ų118.466%0.65566%0.661SS**PPolyproline II helixtrans-79.4119.3170.1-71.90000108.6Q342 H346 I349Q342-V344 PolarHBondContact O-N 2.64Å; V344-H346 PolarHBondContact O-N 3.33Å; V344-I349 HydrophobicContact CG2-CD1 4.4Å
345D53.3Low58.8Low128 Ų128118.2 Ų118.268%0.68466%0.662SS**PPolyproline II helixtrans-60120.1175.5-76.1-36.7000109.9T347D345-T347 PolarHBondContact O-N 3.47Å
346H59.6Low58.2Low151 Ų151124.4 Ų124.470%0.69968%0.68SS**THydrogen-bonded Turntrans-76.812.5-175.749.1-77.5000113V344 G348V344-H346 PolarHBondContact O-N 3.33Å; H346-G348 PolarHBondContact O-N 3.31Å
347T55.9Low57.3Low131 Ų131130 Ų13080%0.80470%0.702SS**THydrogen-bonded Turntrans-775.1179.851.50000113.9D345D345-T347 PolarHBondContact O-N 3.47Å
348G54.5Low56.4Low68 Ų68128.8 Ų128.870%0.70169%0.694SS**SBendtrans-141-2.6175.600000116H346 T350H346-G348 PolarHBondContact O-N 3.31Å; G348-T350 PolarHBondContact O-N 2.73Å
349I51.1Low55.3Low110 Ų110124 Ų12456%0.56469%0.69SS**SBendtrans-82.1110.6176.3-61.1170.5000107.1V344 V351V344-I349 HydrophobicContact CG2-CD1 4.4Å; I349-V351 PolarHBondContact O-N 3.37Å
350T48.3Very low54.1Low123 Ų123129 Ų12976%0.75571%0.705SS**  trans-54.5105.3179.250.10000109.7G348 A352G348-T350 PolarHBondContact O-N 2.73Å; T350-A352 PolarHBondContact O-N 2.81Å
351V52.7Low52.9Low125 Ų125128.3 Ų128.376%0.75870%0.703SS**  trans-57.8110.4166.2-179.30000105.8I349 S353I349-V351 PolarHBondContact O-N 3.37Å; V351-S353 VanDerWaalsContact C-N 3.3Å; V351-S353 PolarHBondContact O-N 3.41Å
352A46.1Very low52Low73 Ų73132.2 Ų132.260%0.60371%0.714SS**  trans-62.4100.6169.600000106.7T350 T354T350-A352 PolarHBondContact O-N 2.81Å; A352-T354 PolarHBondContact O-N 3.29Å
353S51.2Low50.6Low81 Ų81130.8 Ų130.857%0.56672%0.716SS**  trans-57.3137.6176.7-48.80000108.3V351 D355 R356V351-S353 VanDerWaalsContact C-N 3.3Å; V351-S353 PolarHBondContact O-N 3.41Å; S353-D355 PolarHBondContact O-N 3.14Å; S353-R356 PolarHBondContact O-N 3.26Å
354T51.5Low49.6Very low150 Ų150128.4 Ų128.492%0.9272%0.721SS**THydrogen-bonded Turntrans-53.7-8177.334.50000114.4A352A352-T354 PolarHBondContact O-N 3.29Å
355D47.9Very low48.4Very low106 Ų106129.7 Ų129.757%0.56773%0.73SS**THydrogen-bonded Turntrans-99.23.6-171.4-145.419000114.6S353 F357 S358S353-D355 PolarHBondContact O-N 3.14Å; D355-F357 PolarHBondContact O-N 3.3Å; D355-S358 PolarHBondContact O-N 2.77Å; D355-S358 WeakPolarHBondContact OD1-CB 3.48Å; D355-S358 PolarHBondContact OD1-OG 3.35Å
356R50.4Low47.4Very low189 Ų189127.3 Ų127.371%0.71374%0.736SS**THydrogen-bonded Turntrans-67.3-17.1176.4-98.8-176.6163155-2.8114.2S353S353-R356 PolarHBondContact O-N 3.26Å
357F45.6Very low46.4Very low191 Ų191127 Ų12784%0.83874%0.739SS**THydrogen-bonded Turntrans-92.1-20.6176.7-83.6-85.7000113.5D355D355-F357 PolarHBondContact O-N 3.3Å
358S47.2Very low45.3Very low76 Ų76128.6 Ų128.653%0.53174%0.742SS.*G310 helixtrans-74.9-28-178-48.60000113.1D355 R360D355-S358 PolarHBondContact O-N 2.77Å; D355-S358 WeakPolarHBondContact OD1-CB 3.48Å; D355-S358 PolarHBondContact OD1-OG 3.35Å; S358-R360 VanDerWaalsContact C-N 3.3Å; S358-R360 PolarHBondContact O-N 2.95Å
359S44.9Very low44.9Very low94 Ų94132 Ų13266%0.65775%0.745SS**G310 helixtrans-81.1-1.7-175.250.60000114.8
360R46.8Very low44.9Very low234 Ų234134.4 Ų134.488%0.88376%0.759SS**G310 helixtrans-85.7-8.4176.3-166.675.5170.9-100.1-2.8112.9S358S358-R360 VanDerWaalsContact C-N 3.3Å; S358-R360 PolarHBondContact O-N 2.95Å
361N45.7Very low44.7Very low148 Ų148137.5 Ų137.579%0.79177%0.765SS**SBendtrans-103.9-2.7-172.4-153.132.9000115.7
362E46.2Very low44.2Very low174 Ų174139.4 Ų139.481%0.81377%0.77SS**SBendtrans-134.888.3172.7-66.4-149.2160.300110.6
363V38.4Very low44.1Very low139 Ų139143.9 Ų143.984%0.84278%0.784SS**  trans-173.598.6133.1175.30000106.3
364A40.9Very low43.7Very low97 Ų97145.8 Ų145.880%0.80280%0.797SS**  trans-13278.116000000107.9
365T37.3Very low42.9Very low136 Ų136143.8 Ų143.883%0.83480%0.795SS**  trans-164.3118.6151.537.60000108.7
366G32.2Very low42.3Very low78 Ų78144.6 Ų144.680%0.80481%0.808SS**  trans137.392.3166.200000114.7
367D39.4Very low41.5Very low144 Ų144139.8 Ų139.877%0.7782%0.817SS**  trans-32.3131.7154.3-103.1-106.3000113.2
368N33.2Very low40.8Very low164 Ų164134.6 Ų134.688%0.87782%0.818SS**  trans-171.199.8140-102.7-79.2000108.6
369D46.6Very low40.2Very low141 Ų141135.6 Ų135.675%0.75483%0.83SS**  trans-67.4121.9159.2-73.1-65.3000108.8
370D50.3Low39.6Very low160 Ų160140.7 Ų140.786%0.85684%0.844SS**  trans140.563.4157.8-81.2-43.5000113.1
371Q43.6Very low39.1Very low187 Ų187133.8 Ų133.887%0.87484%0.837SS**  trans-163.469149.9-137.7157.9-15.400114.9
372L43.3Very low38.6Very low166 Ų166135 Ų13587%0.86984%0.843SS**  trans-124.187.3161.6-67.6176.9000108.5
373N42.7Very low37.8Very low167 Ų167129.7 Ų129.789%0.89384%0.836SS**  trans175.982.2154.2-88.6-18.6000110
374S43.5Very low37.4Very low121 Ų121131.5 Ų131.585%0.84684%0.84SS**  trans-167.281.9157-170.50000111.6
375A34.7Very low36.9Very low107 Ų107133 Ų13388%0.88484%0.844SS**  trans-15365.4159.900000110.2
376C34.7Very low36.6Very low124 Ų124130.3 Ų130.384%0.83884%0.843SS**SBendtrans-138.7118.7157.672.50000110.6
377G33.5Very low36.4Very low87 Ų87130 Ų13090%0.89784%0.84SS**  trans63115.7152.100000119.2
378G31.1Very low35.9Very low83 Ų83132.5 Ų132.586%0.85685%0.847SS**  trans172.9108.8161.100000113.8
379A35.1Very low35.7Very low96 Ų96132.8 Ų132.879%0.79385%0.848SS**  trans-72.5151.4176.100000112.7
380E33.7Very low34.9Very low201 Ų201129.3 Ų129.394%0.93985%0.846SS**  trans-167.7148.9131.746.6-159.3119.700113.3
381A35.7Very low34Very low90 Ų90126 Ų12674%0.74485%0.849SS**  trans-82.5156.6-168.200000113.4
382N34.9Very low33.4Very low173 Ų173120.7 Ų120.793%0.92585%0.846SS**  trans-157.195143.3-112.8-14.6000113.5
383G30.3Very low32.9Very low63 Ų63121.9 Ų121.965%0.64985%0.846SS**  58.8102.9121.800000123.3
384L28.6Very low32.5Very low177 Ų177121.8 Ų121.893%0.92785%0.846SS**  62.7116.7116.4-72.7158.8000123
385S31.8Very low32.3Very low127 Ų127124 Ų12489%0.88884%0.843SS**  -178.7132.9119.563.60000108.9
386G29Very low32.6Very low80 Ų80128.3 Ų128.383%0.82585%0.845SS**  cis173.7153.3-3.100000107.9
387G28.8Very low32.9Very low71 Ų71130.3 Ų130.373%0.73284%0.842SS**  trans94.1100.2152.300000120.6
388E29Very low33.4Very low198 Ų198133.9 Ų133.993%0.92584%0.84SS**  trans82.9121.8136.1-70.9168.9104.100123.1
389D29.3Very low34.2Very low169 Ų169137.1 Ų137.190%0.90484%0.837SS**  trans97.3112139.2-145.351000120.9
390G29.4Very low35.2Very low69 Ų69138.3 Ų138.371%0.71184%0.836SS**  92.277.5126.300000121
391G32Very low36Very low89 Ų89134.6 Ų134.692%0.91883%0.827SS**  77.2114.5127.300000121.1
392G30.5Very low37.1Very low77 Ų77135.1 Ų135.179%0.79482%0.817SS**  trans146.889.6157.700000112.7
393E33.5Very low38.2Very low190 Ų190135.2 Ų135.289%0.88881%0.812SS**  trans-89.7108.2166.9-72.5177.5172.600107.6
394D32.8Very low39.5Very low166 Ų166138.5 Ų138.589%0.88882%0.815SS**  trans-76.8116.6161.3-76.7-45.8000107.7
395E39.6Very low40.9Very low166 Ų166136.3 Ų136.378%0.77680%0.804SS**  trans-75.8119.4171-69.5-178.715300108.9E397E395-E397 PolarHBondContact O-N 3.24Å; E395-E397 VanDerWaalsContact O-N 3.12Å
396E42.4Very low41.7Very low199 Ų199137.5 Ų137.593%0.9379%0.793SS**  trans-68.3101.1164.2-72.6-176.516700108.7D398E396-D398 PolarHBondContact O-N 3.1Å
397E40.3Very low43.1Very low166 Ų166137.7 Ų137.778%0.77678%0.778SS**  trans-80109.7168.8-74.4-170159.400110.1E395 I399E395-E397 PolarHBondContact O-N 3.24Å; E395-E397 VanDerWaalsContact O-N 3.12Å; E397-I399 PolarHBondContact O-N 2.92Å; E397-I399 VanDerWaalsContact O-N 3.15Å
398D43.3Very low44.2Very low161 Ų161136.6 Ų136.686%0.86177%0.767SS**  trans-63108.5164.3-82.5-42.2000109.6E396 P400E396-D398 PolarHBondContact O-N 3.1Å; D398-P400 VanDerWaalsContact O-CD 3.29Å; D398-P400 WeakPolarHBondContact O-CD 3.33Å
399I49Very low45.3Very low152 Ų152134.4 Ų134.478%0.77976%0.757SS**PPolyproline II helixtrans-70.3119.2177.7-55.2166.2000109.1E397 V401E397-I399 PolarHBondContact O-N 2.92Å; E397-I399 VanDerWaalsContact O-N 3.15Å; I399-V401 PolarHBondContact O-N 2.69Å
400P54.4Low46.5Very low121 Ų121130.5 Ų130.579%0.78674%0.736SS**PPolyproline II helixtrans-69.9119175.3-1731.8000110.6D398 D402D398-P400 VanDerWaalsContact O-CD 3.29Å; D398-P400 WeakPolarHBondContact O-CD 3.33Å; P400-D402 PolarHBondContact O-N 3.29Å
401V52.5Low47.8Very low123 Ų123132.9 Ų132.975%0.74573%0.731SS**PPolyproline II helixtrans-70.8120.3170.3-179.80000108.5I399 E403I399-V401 PolarHBondContact O-N 2.69Å; V401-E403 PolarHBondContact O-N 2.83Å
402D57.9Low48.9Very low101 Ų101135.2 Ų135.254%0.5472%0.718SS.*  trans-78.3105.9175.3-169.2-5.2000109.6P400 N404 L405P400-D402 PolarHBondContact O-N 3.29Å; D402-N404 PolarHBondContact O-N 3.3Å; D402-N404 VanDerWaalsContact O-N 3.1Å; D402-N404 WeakPolarHBondContact OD1-CB 3.26Å; D402-N404 PolarHBondContact OD1-N 3.49Å; D402-N404 VanDerWaalsContact OD1-N 3.09Å; D402-L405 WeakPolarHBondContact O-CB 3.33Å; D402-L405 PolarHBondContact O-N 3.25Å; D402-L405 VanDerWaalsContact O-N 3.08Å
403E58.4Low50.2Low175 Ų175137.8 Ų137.882%0.81871%0.71SS**G310 helixtrans-62.4-11.9177.4-68.3-177.8164.400113.1V401 L405V401-E403 PolarHBondContact O-N 2.83Å; E403-L405 VanDerWaalsContact C-N 3.34Å
404N56.4Low51.2Low131 Ų131134.1 Ų134.170%0.70170%0.696SS**G310 helixtrans-86.60.4174.4-68.5-22.8000114D402 F406D402-N404 PolarHBondContact O-N 3.3Å; D402-N404 VanDerWaalsContact O-N 3.1Å; D402-N404 WeakPolarHBondContact OD1-CB 3.26Å; D402-N404 PolarHBondContact OD1-N 3.49Å; D402-N404 VanDerWaalsContact OD1-N 3.09Å; N404-F406 VanDerWaalsContact C-N 3.27Å
405L58.2Low52.5Low132 Ų132131.2 Ų131.269%0.69168%0.68SS**G310 helixtrans-77.1-16.4175.9-158.971.2000112.6D402 E403D402-L405 WeakPolarHBondContact O-CB 3.33Å; D402-L405 PolarHBondContact O-N 3.25Å; D402-L405 VanDerWaalsContact O-N 3.08Å; E403-L405 VanDerWaalsContact C-N 3.34Å
406F49.6Very low53.3Low151 Ų151130 Ų13066%0.66267%0.674SS**SBendtrans-104.777.8171.3-62.8-81.9000108.9N404N404-F406 VanDerWaalsContact C-N 3.27Å
407T58.1Low54.2Low85 Ų85126.4 Ų126.452%0.52166%0.657SS.*  trans-69.4134.1167.945.30000108.3E409 D410T407-E409 PolarHBondContact O-N 3.18Å; T407-D410 PolarHBondContact O-N 2.75Å; T407-D410 VanDerWaalsContact O-N 3.1Å
408G51.4Low55.1Low47 Ų47124.6 Ų124.649%0.48565%0.652SS.*THydrogen-bonded Turntrans-56.4-4.4-170.100000117.4L411 E412G408-L411 PolarHBondContact O-N 3.47Å; G408-E412 PolarHBondContact O-N 2.97Å
409E52.1Low55.6Low153 Ų153122.6 Ų122.672%0.71564%0.642SS**Hα-helixtrans-67.6-37.5172.6-153.9162.2-17100111.6T407 L411 E412 E413T407-E409 PolarHBondContact O-N 3.18Å; E409-L411 PolarHBondContact O-N 2.63Å; E409-E412 PolarHBondContact O-N 2.97Å; E409-E413 PolarHBondContact O-N 2.85Å
410D55.3Low55.8Low87 Ų87120.9 Ų120.947%0.46564%0.639SS.*Hα-helixtrans-70.7-18.5176.1-74-8000112.9T407T407-D410 PolarHBondContact O-N 2.75Å; T407-D410 VanDerWaalsContact O-N 3.1Å
411L55.5Low55.5Low118 Ų118122 Ų12262%0.61864%0.637SS**Hα-helixtrans-91.9-27.8-179.3-126150.6000111.4G408 E409 D415G408-L411 PolarHBondContact O-N 3.47Å; E409-L411 PolarHBondContact O-N 2.63Å; L411-D415 PolarHBondContact O-N 3.24Å
412E55.3Low55.1Low138 Ų138118.9 Ų118.965%0.64563%0.63SS**Hα-helixtrans-72.1-36.7171.5-75.8176.5179.800111.2G408 E409 L414 D415 E416G408-E412 PolarHBondContact O-N 2.97Å; E409-E412 PolarHBondContact O-N 2.97Å; E412-L414 VanDerWaalsContact C-N 3.32Å; E412-L414 PolarHBondContact O-N 2.99Å; E412-D415 PolarHBondContact O-N 3.37Å; E412-E416 PolarHBondContact O-N 3.22Å
413E57.4Low54.5Low132 Ų132121.1 Ų121.162%0.61764%0.641SS**Hα-helixtrans-63.8-35.8175.2-169.8169.7-163.500112.3E409 E417E409-E413 PolarHBondContact O-N 2.85Å; E413-E417 WeakPolarHBondContact O-CB 3.4Å; E413-E417 PolarHBondContact O-N 3.32Å
414L55.7Low53.7Low113 Ų113121.8 Ų121.859%0.59264%0.644SS**Hα-helixtrans-70.9-32175.1-81.4166.9000113.5E412 L418E412-L414 VanDerWaalsContact C-N 3.32Å; E412-L414 PolarHBondContact O-N 2.99Å; L414-L418 WeakPolarHBondContact O-CB 3.38Å; L414-L418 PolarHBondContact O-N 2.96Å; L414-L418 VanDerWaalsContact O-N 3.14Å
415D58.9Low53Low104 Ų104126.4 Ų126.456%0.55667%0.669SS**Hα-helixtrans-77.3-30.1177.8-147.837.4000111.1L411 E412 N419L411-D415 PolarHBondContact O-N 3.24Å; E412-D415 PolarHBondContact O-N 3.37Å; D415-N419 PolarHBondContact O-N 3.12Å; D415-N419 PolarHBondContact O-ND2 3.15Å
416E58.1Low52.8Low141 Ų141126.1 Ų126.166%0.65967%0.668SS**Hα-helixtrans-72.5-36.6170.3-72.1-172.9171.800112.7E412 L418 N419 T420E412-E416 PolarHBondContact O-N 3.22Å; E416-L418 VanDerWaalsContact C-N 3.32Å; E416-L418 PolarHBondContact O-N 2.95Å; E416-N419 PolarHBondContact O-N 3.24Å; E416-T420 PolarHBondContact O-N 3.08Å; E416-T420 PolarHBondContact O-OG1 2.73Å
417E60.1Low52.9Low123 Ų123124.8 Ų124.858%0.57567%0.668SS**Hα-helixtrans-69.4-29.6175.2-151.6176.9-159.300112E413 T420E413-E417 WeakPolarHBondContact O-CB 3.4Å; E413-E417 PolarHBondContact O-N 3.32Å; E417-T420 WeakPolarHBondContact CA-OG1 3.1Å; E417-T420 PolarHBondContact O-OG1 2.97Å
418L59.1Low52.6Low128 Ų128127 Ų12767%0.6768%0.676SS**Hα-helixtrans-76.6-33175.1-158.4119.6000112.7L414 E416L414-L418 WeakPolarHBondContact O-CB 3.38Å; L414-L418 PolarHBondContact O-N 2.96Å; L414-L418 VanDerWaalsContact O-N 3.14Å; E416-L418 VanDerWaalsContact C-N 3.32Å; E416-L418 PolarHBondContact O-N 2.95Å
419N55.2Low52.7Low120 Ų120131.7 Ų131.764%0.64269%0.688SS**Hα-helixtrans-76.2-21.6176-83.1-57.8000113.7D415 E416D415-N419 PolarHBondContact O-N 3.12Å; D415-N419 PolarHBondContact O-ND2 3.15Å; E416-N419 PolarHBondContact O-N 3.24Å
420T53Low52.7Low116 Ų116130.4 Ų130.471%0.71269%0.686SS**Hα-helixtrans-86.5-13177.540.70000113.8E416 E417 G422E416-T420 PolarHBondContact O-N 3.08Å; E416-T420 PolarHBondContact O-OG1 2.73Å; E417-T420 WeakPolarHBondContact CA-OG1 3.1Å; E417-T420 PolarHBondContact O-OG1 2.97Å; T420-G422 PolarHBondContact O-N 3.29Å
421L47.8Very low52.6Low144 Ų144133.3 Ų133.375%0.75470%0.701SS**SBendtrans-7746.7164.7-92.6156.3000111.8L423L421-L423 PolarHBondContact O-N 3.44Å; L421-L423 VanDerWaalsContact O-N 3.1Å
422G43.3Very low52.4Low58 Ų58134.4 Ų134.460%0.59871%0.706SS**  trans-56.1115.5171.100000110.4T420 E424T420-G422 PolarHBondContact O-N 3.29Å; G422-E424 PolarHBondContact O-N 3.47Å
423L45.5Very low52.1Low148 Ų148134.1 Ų134.178%0.77571%0.711SS**  trans-41.3103.8166.5-69.5154.7000110.9L421 D425L421-L423 PolarHBondContact O-N 3.44Å; L421-L423 VanDerWaalsContact O-N 3.1Å; L423-D425 PolarHBondContact O-N 3.42Å
424E41.9Very low51.7Low189 Ų189134.3 Ų134.388%0.88372%0.719SS**  trans-74.797.2149.7-81.5-174147.800107.3G422G422-E424 PolarHBondContact O-N 3.47Å
425D41.7Very low51.3Low227 Ų227136.2 Ų136.2100%1.21473%0.731SS**  trans-146.60147.2-92.7-39.9000111.3L423L423-D425 PolarHBondContact O-N 3.42Å

Retrieved 425 of 425 residues in 221.6 ms (Link to these results)