A0A096MHP8_POEFO Loading...

Transcription factor EB

AlphaFold DB , UniProt , Accession A0A096MHP8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 514 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
1M48.5Very low78.2Confident246 Ų246131.3 Ų131.3100%1.21267%0.669SS**  0129.90-59.6171.2-171.800107.7
2A55.8Low79.1Confident96 Ų96131.9 Ų131.979%0.79367%0.671SS**  trans-72.2134.4175.700000110.1
3S74.1Confident79.9Confident73 Ų73134.6 Ų134.651%0.5167%0.668SS.*  trans-64.3143.4177.2175.70000110.9I5 G6 L7S3-I5 PolarHBondContact O-N 2.95Å; S3-I5 VanDerWaalsContact O-N 3.08Å; S3-I5 PolarHBondContact OG-N 3.24Å; S3-G6 WeakPolarHBondContact O-CA 3.39Å; S3-G6 PolarHBondContact O-N 2.94Å; S3-L7 PolarHBondContact O-N 3.25Å
4R75.1Confident80.6Confident228 Ų228129.7 Ų129.786%0.8665%0.645SS**Hα-helixtrans-54.3-28.9175.5-166.2179.1-174.1-171.23112.5R8R4-R8 PolarHBondContact O-N 3.07Å
5I79.8Confident81.3Confident127 Ų127130.4 Ų130.465%0.65165%0.646SS**Hα-helixtrans-70.6-43.1174.4-60.2171.6000110.8S3 R8 M9S3-I5 PolarHBondContact O-N 2.95Å; S3-I5 VanDerWaalsContact O-N 3.08Å; S3-I5 PolarHBondContact OG-N 3.24Å; I5-R8 PolarHBondContact O-N 2.59Å; I5-M9 VanDerWaalsContact O-CG 3.31Å; I5-M9 WeakPolarHBondContact O-CG 3.23Å; I5-M9 PolarHBondContact O-N 2.85Å
6G87.3Confident81.7Confident38 Ų38129.9 Ų129.939%0.39265%0.646SS.*Hα-helixtrans-63.2-41.4176.200000112.4S3 R8 M9 Q10S3-G6 WeakPolarHBondContact O-CA 3.39Å; S3-G6 PolarHBondContact O-N 2.94Å; G6-R8 VanDerWaalsContact C-N 3.34Å; G6-R8 PolarHBondContact O-N 3.38Å; G6-M9 PolarHBondContact O-N 3.29Å; G6-Q10 PolarHBondContact O-N 3.42Å
7L88.3Confident82.1Confident104 Ų104128.9 Ų128.955%0.54564%0.638SS.*Hα-helixtrans-61.9-40.2174-177.561.3000112.1S3 Q10 L11S3-L7 PolarHBondContact O-N 3.25Å; L7-Q10 PolarHBondContact O-N 3.23Å; L7-L11 HydrophobicContact CD1-CD1 4.43Å; L7-L11 HydrophobicContact CD1-CG 4.47Å; L7-L11 HydrophobicContact CG-CD1 4.19Å; L7-L11 WeakPolarHBondContact O-CG 3.44Å; L7-L11 PolarHBondContact O-N 3.09Å
8R86.2Confident82.4Confident200 Ų200128.2 Ų128.276%0.75563%0.633SS**Hα-helixtrans-63.6-41.1174.3-176.2-179.6176.7-169.9-1.6112.1R4 I5 G6 M12R4-R8 PolarHBondContact O-N 3.07Å; I5-R8 PolarHBondContact O-N 2.59Å; G6-R8 VanDerWaalsContact C-N 3.34Å; G6-R8 PolarHBondContact O-N 3.38Å; R8-M12 WeakPolarHBondContact O-CB 3.37Å; R8-M12 PolarHBondContact O-N 2.96Å; R8-M12 VanDerWaalsContact O-N 3.07Å
9M85.1Confident82.4Confident138 Ų138127.2 Ų127.268%0.6863%0.627SS**Hα-helixtrans-65.9-39.6176.7-65-117.8-65.200111.9I5 G6 M12 R13I5-M9 VanDerWaalsContact O-CG 3.31Å; I5-M9 WeakPolarHBondContact O-CG 3.23Å; I5-M9 PolarHBondContact O-N 2.85Å; G6-M9 PolarHBondContact O-N 3.29Å; M9-M12 PolarHBondContact O-N 2.89Å; M9-R13 PolarHBondContact O-N 3.39Å
10Q90.3Very high82.7Confident89 Ų89126 Ų12642%0.41662%0.619SS.*Hα-helixtrans-63.3-51175.6-171.26246.200111G6 L7 M12 R13 D14G6-Q10 PolarHBondContact O-N 3.42Å; L7-Q10 PolarHBondContact O-N 3.23Å; Q10-M12 PolarHBondContact O-N 3.48Å; Q10-R13 WeakPolarHBondContact O-CA 3.43Å; Q10-R13 WeakPolarHBondContact O-CB 3.32Å; Q10-R13 PolarHBondContact O-N 2.97Å; Q10-D14 PolarHBondContact NE2-OD1 3.02Å; Q10-D14 PolarHBondContact O-N 3.35Å
11L90.2Very high82.8Confident105 Ų105126 Ų12655%0.5562%0.618SS.*Hα-helixtrans-58.1-34.3177.3-72.1168.2000113.1L7 Q15L7-L11 HydrophobicContact CD1-CD1 4.43Å; L7-L11 HydrophobicContact CD1-CG 4.47Å; L7-L11 HydrophobicContact CG-CD1 4.19Å; L7-L11 WeakPolarHBondContact O-CG 3.44Å; L7-L11 PolarHBondContact O-N 3.09Å; L11-Q15 VanDerWaalsContact O-CB 3.28Å; L11-Q15 WeakPolarHBondContact O-CB 3.36Å; L11-Q15 PolarHBondContact O-N 3.33Å
12M88.4Confident84.5Confident139 Ų139120.4 Ų120.469%0.68558%0.584SS**Hα-helixtrans-70.2-39.5174.7-176.6176.2171.400112.4R8 M9 Q10 L16R8-M12 WeakPolarHBondContact O-CB 3.37Å; R8-M12 PolarHBondContact O-N 2.96Å; R8-M12 VanDerWaalsContact O-N 3.07Å; M9-M12 PolarHBondContact O-N 2.89Å; Q10-M12 PolarHBondContact O-N 3.48Å; M12-L16 PolarHBondContact O-N 2.94Å; M12-L16 VanDerWaalsContact O-N 3.13Å
13R89.9Confident85.8Confident167 Ų167119.7 Ų119.763%0.6356%0.564SS**Hα-helixtrans-63.4-46.9172166.9176.7-85.4172.5-8.7111.1M9 Q10 Q15 L16 Q17M9-R13 PolarHBondContact O-N 3.39Å; Q10-R13 WeakPolarHBondContact O-CA 3.43Å; Q10-R13 WeakPolarHBondContact O-CB 3.32Å; Q10-R13 PolarHBondContact O-N 2.97Å; R13-Q15 VanDerWaalsContact C-N 3.31Å; R13-Q15 PolarHBondContact O-N 3.27Å; R13-L16 PolarHBondContact O-N 2.95Å; R13-Q17 WeakPolarHBondContact O-CB 3.5Å; R13-Q17 PolarHBondContact O-N 3.36Å
14D89.5Confident86.3Confident66 Ų66123.4 Ų123.435%0.35357%0.566SS.*Hα-helixtrans-62.8-39.7-178.9-59.5-17.6000111Q10 Q17 Q18Q10-D14 PolarHBondContact NE2-OD1 3.02Å; Q10-D14 PolarHBondContact O-N 3.35Å; D14-Q17 PolarHBondContact O-N 3.21Å; D14-Q18 WeakPolarHBondContact O-CB 3.25Å; D14-Q18 PolarHBondContact O-N 3.34Å
15Q90.6Very high86.8Confident140 Ų140119.2 Ų119.265%0.65456%0.557SS**Hα-helixtrans-62.5-47.6174.5177.4164.384.800112.3L11 R13 Q17 Q18 E19L11-Q15 VanDerWaalsContact O-CB 3.28Å; L11-Q15 WeakPolarHBondContact O-CB 3.36Å; L11-Q15 PolarHBondContact O-N 3.33Å; R13-Q15 VanDerWaalsContact C-N 3.31Å; R13-Q15 PolarHBondContact O-N 3.27Å; Q15-Q17 VanDerWaalsContact C-N 3.33Å; Q15-Q17 PolarHBondContact O-N 3.01Å; Q15-Q18 PolarHBondContact O-N 2.86Å; Q15-E19 PolarHBondContact O-N 3.48Å
16L88.8Confident87Confident123 Ų123118.4 Ų118.464%0.64455%0.55SS**Hα-helixtrans-62.6-41.1177.1-172.472000111.6M12 R13 E19 E20M12-L16 PolarHBondContact O-N 2.94Å; M12-L16 VanDerWaalsContact O-N 3.13Å; R13-L16 PolarHBondContact O-N 2.95Å; L16-E19 PolarHBondContact O-N 3.5Å; L16-E20 PolarHBondContact O-N 3.06Å
17Q88.4Confident86.8Confident112 Ų112122.3 Ų122.352%0.52356%0.558SS.*Hα-helixtrans-70.2-34.4-179.4-163165.733.200112.2R13 D14 Q15 E19 Q21R13-Q17 WeakPolarHBondContact O-CB 3.5Å; R13-Q17 PolarHBondContact O-N 3.36Å; D14-Q17 PolarHBondContact O-N 3.21Å; Q15-Q17 VanDerWaalsContact C-N 3.33Å; Q15-Q17 PolarHBondContact O-N 3.01Å; Q17-E19 VanDerWaalsContact C-N 3.34Å; Q17-Q21 WeakPolarHBondContact O-CG 3.45Å; Q17-Q21 PolarHBondContact O-N 3.46Å; Q17-Q21 VanDerWaalsContact O-N 3.09Å
18Q87.9Confident86.5Confident117 Ų117124 Ų12455%0.54756%0.563SS.*Hα-helixtrans-67.8-33.2170.5-171.9-177.710300112.2D14 Q15 R22D14-Q18 WeakPolarHBondContact O-CB 3.25Å; D14-Q18 PolarHBondContact O-N 3.34Å; Q15-Q18 PolarHBondContact O-N 2.86Å; Q18-R22 WeakPolarHBondContact O-CB 3.28Å; Q18-R22 PolarHBondContact O-N 3.08Å
19E82.5Confident86.1Confident109 Ų109121 Ų12151%0.50956%0.558SS.*Hα-helixtrans-70.9-42.3175.1-171.9149.5-132.400112Q15 L16 Q17 Q21 R22 E23Q15-E19 PolarHBondContact O-N 3.48Å; L16-E19 PolarHBondContact O-N 3.5Å; Q17-E19 VanDerWaalsContact C-N 3.34Å; E19-Q21 VanDerWaalsContact C-N 3.34Å; E19-Q21 PolarHBondContact O-N 3.04Å; E19-R22 WeakPolarHBondContact O-CB 3.35Å; E19-R22 PolarHBondContact O-N 3Å; E19-R22 VanDerWaalsContact O-N 3.15Å; E19-E23 PolarHBondContact O-N 2.95Å
20E87.8Confident85.8Confident102 Ų102119 Ų11948%0.47755%0.55SS..Hα-helixtrans-59.7-43.6172.2-165.5-160.9130.600111.5L16 R22 E23 R24L16-E20 PolarHBondContact O-N 3.06Å; E20-R22 VanDerWaalsContact C-N 3.32Å; E20-R22 PolarHBondContact O-N 3.33Å; E20-E23 PolarHBondContact O-N 2.74Å; E20-R24 WeakPolarHBondContact O-CB 3.35Å; E20-R24 WeakPolarHBondContact O-CG 3.46Å; E20-R24 PolarHBondContact O-N 2.81Å; E20-R24 IonicContact OE1-CZ 3.61Å; E20-R24 IonicContact OE1-NE 3.69Å; E20-R24 PolarHBondContact OE1-NE 2.98Å; E20-R24 IonicContact OE1-NH2 2.74Å; E20-R24 PolarHBondContact OE1-NH2 3.23Å
21Q85.3Confident85.3Confident127 Ų127118.9 Ų118.959%0.59356%0.555SS**Hα-helixtrans-60-41.7175-76.3-179.2-0.400112.1Q17 E19 R24 Q25Q17-Q21 WeakPolarHBondContact O-CG 3.45Å; Q17-Q21 PolarHBondContact O-N 3.46Å; Q17-Q21 VanDerWaalsContact O-N 3.09Å; E19-Q21 VanDerWaalsContact C-N 3.34Å; E19-Q21 PolarHBondContact O-N 3.04Å; Q21-R24 PolarHBondContact O-N 3.12Å; Q21-Q25 WeakPolarHBondContact O-CB 3.3Å; Q21-Q25 PolarHBondContact O-N 3.44Å
22R83.4Confident84.8Confident129 Ų129116.5 Ų116.549%0.48755%0.551SS.*Hα-helixtrans-65.2-41.7177.7-165.3-172.4-59.5132.92.8111.8Q18 E19 E20 Q26Q18-R22 WeakPolarHBondContact O-CB 3.28Å; Q18-R22 PolarHBondContact O-N 3.08Å; E19-R22 WeakPolarHBondContact O-CB 3.35Å; E19-R22 PolarHBondContact O-N 3Å; E19-R22 VanDerWaalsContact O-N 3.15Å; E20-R22 VanDerWaalsContact C-N 3.32Å; E20-R22 PolarHBondContact O-N 3.33Å; R22-Q26 WeakPolarHBondContact O-CB 3.5Å; R22-Q26 PolarHBondContact O-N 3.06Å
23E83.9Confident84Confident81 Ų81115.2 Ų115.238%0.37954%0.544SS..Hα-helixtrans-68.4-44.1175-179.7157.1-151.600111.8E19 E20 Q25 Q26 Q27 R81E19-E23 PolarHBondContact O-N 2.95Å; E20-E23 PolarHBondContact O-N 2.74Å; E23-Q25 VanDerWaalsContact C-N 3.29Å; E23-Q25 PolarHBondContact O-N 2.97Å; E23-Q26 CarbonylContact O-C 3.58Å; E23-Q26 PolarHBondContact O-N 2.96Å; E23-Q27 VanDerWaalsContact O-CB 3.28Å; E23-Q27 WeakPolarHBondContact O-CB 3.44Å; E23-Q27 PolarHBondContact O-N 2.87Å; E23-R81 IonicContact OE1-CZ 2.84Å; E23-R81 IonicContact OE1-NH1 3.04Å; E23-R81 PolarHBondContact OE1-NH1 3.1Å; E23-R81 IonicContact OE1-NH2 2.83Å; E23-R81 PolarHBondContact OE1-NH2 3.33Å; E23-R81 IonicContact OE2-NH2 3.21Å
24R83.7Confident83.1Confident150 Ų150112.8 Ų112.857%0.56654%0.54SS*.Hα-helixtrans-55.6-43.7173.9-77.4-172.8-172.3-110.23.6112.1E20 Q21 Q27 Q28E20-R24 WeakPolarHBondContact O-CB 3.35Å; E20-R24 WeakPolarHBondContact O-CG 3.46Å; E20-R24 PolarHBondContact O-N 2.81Å; E20-R24 IonicContact OE1-CZ 3.61Å; E20-R24 IonicContact OE1-NE 3.69Å; E20-R24 PolarHBondContact OE1-NE 2.98Å; E20-R24 IonicContact OE1-NH2 2.74Å; E20-R24 PolarHBondContact OE1-NH2 3.23Å; Q21-R24 PolarHBondContact O-N 3.12Å; R24-Q27 PolarHBondContact O-N 2.89Å; R24-Q28 WeakPolarHBondContact O-CB 3.41Å; R24-Q28 WeakPolarHBondContact O-CG 3.26Å; R24-Q28 PolarHBondContact O-N 3.15Å
25Q84.9Confident82.4Confident141 Ų141116.2 Ų116.266%0.65955%0.549SS*.Hα-helixtrans-66.6-41.4179.1-168.5174.264.700111.7Q21 E23 Q27 Q29Q21-Q25 WeakPolarHBondContact O-CB 3.3Å; Q21-Q25 PolarHBondContact O-N 3.44Å; E23-Q25 VanDerWaalsContact C-N 3.29Å; E23-Q25 PolarHBondContact O-N 2.97Å; Q25-Q27 VanDerWaalsContact C-N 3.34Å; Q25-Q29 WeakPolarHBondContact O-CB 3.41Å; Q25-Q29 PolarHBondContact O-N 2.94Å
26Q83.9Confident81.3Confident109 Ų109115.3 Ų115.351%0.50955%0.546SS..Hα-helixtrans-67.6-33.2173.9-171.1174.4110.600112.5R22 E23 Q29 N30R22-Q26 WeakPolarHBondContact O-CB 3.5Å; R22-Q26 PolarHBondContact O-N 3.06Å; E23-Q26 CarbonylContact O-C 3.58Å; E23-Q26 PolarHBondContact O-N 2.96Å; Q26-Q29 PolarHBondContact O-N 3.02Å; Q26-N30 PolarHBondContact O-N 3.29Å; Q26-N30 PolarHBondContact O-ND2 2.56Å
27Q83.1Confident79.9Confident120 Ų120116.3 Ų116.356%0.56155%0.548SS*.Hα-helixtrans-72.2-43.6177-168.217571.400111E23 R24 Q25 Q29 N30 V31E23-Q27 VanDerWaalsContact O-CB 3.28Å; E23-Q27 WeakPolarHBondContact O-CB 3.44Å; E23-Q27 PolarHBondContact O-N 2.87Å; R24-Q27 PolarHBondContact O-N 2.89Å; Q25-Q27 VanDerWaalsContact C-N 3.34Å; Q27-Q29 VanDerWaalsContact C-N 3.32Å; Q27-Q29 PolarHBondContact O-N 3.36Å; Q27-N30 PolarHBondContact O-N 3.44Å; Q27-V31 WeakPolarHBondContact O-CG2 3.31Å; Q27-V31 PolarHBondContact O-N 2.88Å
28Q82.4Confident78.5Confident140 Ų140117.2 Ų117.265%0.65455%0.552SS**Hα-helixtrans-58.6-42.1169.9-77.1-176.9-5.900111.8R24 N30 V31 A32R24-Q28 WeakPolarHBondContact O-CB 3.41Å; R24-Q28 WeakPolarHBondContact O-CG 3.26Å; R24-Q28 PolarHBondContact O-N 3.15Å; Q28-N30 PolarHBondContact O-N 3.4Å; Q28-V31 PolarHBondContact O-N 3.5Å; Q28-A32 WeakPolarHBondContact O-CB 3.41Å; Q28-A32 PolarHBondContact O-N 2.97Å
29Q78Confident76.9Confident136 Ų136121 Ų12164%0.63656%0.561SS**Hα-helixtrans-64.5-38.1177.1-171174.377.400112.4Q25 Q26 Q27 M33Q25-Q29 WeakPolarHBondContact O-CB 3.41Å; Q25-Q29 PolarHBondContact O-N 2.94Å; Q26-Q29 PolarHBondContact O-N 3.02Å; Q27-Q29 VanDerWaalsContact C-N 3.32Å; Q27-Q29 PolarHBondContact O-N 3.36Å; Q29-M33 WeakPolarHBondContact O-CB 3.49Å; Q29-M33 PolarHBondContact O-N 2.97Å
30N79.1Confident75.1Confident97 Ų97124.2 Ų124.252%0.51958%0.578SS.*Hα-helixtrans-66-43.2171.8-83.5-77.1000112.3Q26 Q27 Q28 M33 Q34Q26-N30 PolarHBondContact O-N 3.29Å; Q26-N30 PolarHBondContact O-ND2 2.56Å; Q27-N30 PolarHBondContact O-N 3.44Å; Q28-N30 PolarHBondContact O-N 3.4Å; N30-M33 WeakPolarHBondContact O-CB 3.31Å; N30-M33 PolarHBondContact O-N 2.97Å; N30-Q34 WeakPolarHBondContact O-CB 3.48Å; N30-Q34 PolarHBondContact O-N 2.87Å
31V80.4Confident73.3Confident87 Ų87123.2 Ų123.253%0.52759%0.587SS.*Hα-helixtrans-64.1-40.4176.9171.30000111.1Q27 Q28 Q34 Y35Q27-V31 WeakPolarHBondContact O-CG2 3.31Å; Q27-V31 PolarHBondContact O-N 2.88Å; Q28-V31 PolarHBondContact O-N 3.5Å; V31-Q34 PolarHBondContact O-N 3.09Å; V31-Y35 WeakPolarHBondContact O-CB 3.09Å; V31-Y35 PolarHBondContact O-N 3.39Å
32A78.1Confident71.5Confident55 Ų55120.3 Ų120.346%0.45559%0.591SS.*Hα-helixtrans-64.7-41.7175.100000112.4Q28 Y35 M36Q28-A32 WeakPolarHBondContact O-CB 3.41Å; Q28-A32 PolarHBondContact O-N 2.97Å; A32-Y35 PolarHBondContact O-N 2.92Å; A32-M36 PolarHBondContact O-N 3.27Å
33M72.4Confident70.1Confident112 Ų112120 Ų12055%0.55261%0.606SS**Hα-helixtrans-60.2-44171.1-86.9-71.3-7000112Q29 N30 M36 Q37Q29-M33 WeakPolarHBondContact O-CB 3.49Å; Q29-M33 PolarHBondContact O-N 2.97Å; N30-M33 WeakPolarHBondContact O-CB 3.31Å; N30-M33 PolarHBondContact O-N 2.97Å; M33-M36 PolarHBondContact O-N 2.96Å; M33-M36 HydrophobicContact SD-CE 4.31Å; M33-Q37 WeakPolarHBondContact O-CB 3.32Å; M33-Q37 PolarHBondContact O-N 2.7Å
34Q71.7Confident68.2Low115 Ų115122 Ų12254%0.53763%0.626SS.*Hα-helixtrans-67.8-36.3179-165.1169.437.100112N30 V31 Q37 Q38N30-Q34 WeakPolarHBondContact O-CB 3.48Å; N30-Q34 PolarHBondContact O-N 2.87Å; V31-Q34 PolarHBondContact O-N 3.09Å; Q34-Q37 PolarHBondContact O-N 3.14Å; Q34-Q38 WeakPolarHBondContact O-CG 3.39Å; Q34-Q38 PolarHBondContact O-N 2.68Å
35Y73.8Confident66.4Low138 Ų138119.1 Ų119.154%0.54164%0.635SS.*Hα-helixtrans-68.3-41.1174.2-172.7-96.1000112.3V31 A32 Q37 Q38 R39V31-Y35 WeakPolarHBondContact O-CB 3.09Å; V31-Y35 PolarHBondContact O-N 3.39Å; A32-Y35 PolarHBondContact O-N 2.92Å; Y35-Q37 VanDerWaalsContact C-N 3.34Å; Y35-Q38 PolarHBondContact O-N 3.39Å; Y35-R39 HydrophobicContact CE1-CG 4.5Å; Y35-R39 PolarHBondContact O-N 2.91Å
36M67.1Low64.5Low122 Ų122118.5 Ų118.560%0.60164%0.643SS**Hα-helixtrans-61.4-41.3169.9-83.4-146.1-63.500112.1A32 M33 Q38 R39 M40A32-M36 PolarHBondContact O-N 3.27Å; M33-M36 PolarHBondContact O-N 2.96Å; M33-M36 HydrophobicContact SD-CE 4.31Å; M36-Q38 VanDerWaalsContact C-N 3.33Å; M36-Q38 PolarHBondContact O-N 2.84Å; M36-R39 PolarHBondContact O-N 2.76Å; M36-M40 PolarHBondContact O-N 3.4Å
37Q61Low62.8Low144 Ų144119 Ų11967%0.67365%0.654SS**Hα-helixtrans-64.5-37.5178.4-170.9167.291.900111.9M33 Q34 Y35 M40M33-Q37 WeakPolarHBondContact O-CB 3.32Å; M33-Q37 PolarHBondContact O-N 2.7Å; Q34-Q37 PolarHBondContact O-N 3.14Å; Y35-Q37 VanDerWaalsContact C-N 3.34Å; Q37-M40 PolarHBondContact O-N 2.78Å
38Q58.7Low61.3Low130 Ų130120.1 Ų120.161%0.60767%0.671SS**Hα-helixtrans-67.5-36.8172.5-72.2175.615.700112.7Q34 Y35 M36 M40 A41Q34-Q38 WeakPolarHBondContact O-CG 3.39Å; Q34-Q38 PolarHBondContact O-N 2.68Å; Y35-Q38 PolarHBondContact O-N 3.39Å; M36-Q38 VanDerWaalsContact C-N 3.33Å; M36-Q38 PolarHBondContact O-N 2.84Å; Q38-M40 PolarHBondContact O-N 2.72Å; Q38-M40 VanDerWaalsContact O-N 3.15Å; Q38-A41 PolarHBondContact O-N 2.71Å; Q38-A41 VanDerWaalsContact O-N 3.14Å
39R53.5Low59.4Low198 Ų198117.6 Ų117.675%0.74767%0.674SS**Hα-helixtrans-63.2-15.2174.7-94.4-161.4177.3-143.83.1114.7Y35 M36Y35-R39 HydrophobicContact CE1-CG 4.5Å; Y35-R39 PolarHBondContact O-N 2.91Å; M36-R39 PolarHBondContact O-N 2.76Å
40M44.2Very low57.8Low176 Ų176117.9 Ų117.987%0.86768%0.679SS**THydrogen-bonded Turntrans-101.25.4177.2-69.2-66-174.200113.7M36 Q37 Q38M36-M40 PolarHBondContact O-N 3.4Å; Q37-M40 PolarHBondContact O-N 2.78Å; Q38-M40 PolarHBondContact O-N 2.72Å; Q38-M40 VanDerWaalsContact O-N 3.15Å
41A50.4Low56.3Low80 Ų80119.5 Ų119.566%0.66170%0.698SS**  trans-114.264.1-172.100000113.2Q38Q38-A41 PolarHBondContact O-N 2.71Å; Q38-A41 VanDerWaalsContact O-N 3.14Å
42G47.3Very low54.5Low66 Ų66120.5 Ų120.568%0.6870%0.704SS**  trans-128.4109.3171.800000111.5
43P53.5Low52.8Low123 Ų123123.9 Ų123.980%0.79972%0.722SS**PPolyproline II helixtrans-73.1137.4174.629.9-33000110.5
44P45.7Very low51.3Low122 Ų122126.6 Ų126.679%0.79273%0.733SS**PPolyproline II helixtrans-66.4154.7169.529.6-34.3000110.7
45A44.9Very low49.8Very low91 Ų91128.7 Ų128.775%0.75274%0.743SS**PPolyproline II helixtrans-61.8139.8-178.300000112
46P46Very low48.1Very low128 Ų128132.2 Ų132.283%0.83176%0.757SS**PPolyproline II helixtrans-74129.1-17429.1-34.7000112.3
47T46.9Very low46.8Very low120 Ų120133.2 Ų133.274%0.73676%0.76SS**PPolyproline II helixtrans-85140.1166.744.80000110.6A49T47-A49 VanDerWaalsContact C-N 3.29Å; T47-A49 PolarHBondContact O-N 3.3Å
48P51.3Low45.7Very low142 Ų142131 Ų13192%0.92276%0.76SS**THydrogen-bonded Turntrans-84.659.3-163.635.4-38.9000113.3
49A44.6Very low45.3Very low88 Ų88130 Ų13073%0.72776%0.757SS**THydrogen-bonded Turntrans-127.6-18.2-173.600000115.9T47T47-A49 VanDerWaalsContact C-N 3.29Å; T47-A49 PolarHBondContact O-N 3.3Å
50I44.3Very low45.5Very low141 Ų141128.2 Ų128.272%0.72376%0.757SS**  trans-136.2114.5-175.7-62.9-179.2000110.6T52I50-T52 HydrophobicContact CG2-CG2 4.02Å; I50-T52 PolarHBondContact O-N 2.94Å
51S46.1Very low46.3Very low132 Ų132121.4 Ų121.492%0.92373%0.725SS**  trans-89.193.6174.4-62.20000111.2
52T43.3Very low47.2Very low107 Ų107119.8 Ų119.866%0.65671%0.708SS**  trans-103.8139.4166.345.80000110.9I50 Q54I50-T52 HydrophobicContact CG2-CG2 4.02Å; I50-T52 PolarHBondContact O-N 2.94Å; T52-Q54 PolarHBondContact O-N 3.39Å
53P41.6Very low48.2Very low127 Ų127120.8 Ų120.883%0.82570%0.7SS**  trans-70.5104.1-178.227.4-33.8000111.4Q55P53-Q55 PolarHBondContact O-N 2.83Å; P53-Q55 VanDerWaalsContact O-N 3.09Å
54Q42.3Very low48.7Very low169 Ų169120.1 Ų120.179%0.7969%0.687SS**  trans-8477.4-174.6-168.6-177.49.200112.3T52 Y56T52-Q54 PolarHBondContact O-N 3.39Å; Q54-Y56 HydrophobicContact CG-CD2 3.96Å; Q54-Y56 HydrophobicContact CG-CE2 4.47Å
55Q38.7Very low49.7Very low159 Ų159115.2 Ų115.274%0.74366%0.655SS**  trans-104.964.3173.7-160.7176.64.600112.7P53 Q57P53-Q55 PolarHBondContact O-N 2.83Å; P53-Q55 VanDerWaalsContact O-N 3.09Å; Q55-Q57 HydrophobicContact CG-CG 4.27Å; Q55-Q57 PolarHBondContact O-N 2.9Å
56Y39Very low50.8Low212 Ų212114 Ų11483%0.83164%0.635SS**  trans-73.977.3167.5-79.2-82.5000110.8Q54 S58Q54-Y56 HydrophobicContact CG-CD2 3.96Å; Q54-Y56 HydrophobicContact CG-CE2 4.47Å; Y56-S58 PolarHBondContact O-N 3.02Å
57Q40.1Very low52.1Low143 Ų143114.5 Ų114.567%0.66862%0.624SS**  trans-62121.9159.2-73.6-80.231.900108.3Q55 M59Q55-Q57 HydrophobicContact CG-CG 4.27Å; Q55-Q57 PolarHBondContact O-N 2.9Å; Q57-M59 PolarHBondContact O-N 3.49Å; Q57-M59 VanDerWaalsContact O-N 3.14Å
58S38.2Very low53.2Low98 Ų98110.1 Ų110.169%0.68560%0.597SS**  trans-63.9114.6168.141.30000108.7Y56 Q60Y56-S58 PolarHBondContact O-N 3.02Å; S58-Q60 PolarHBondContact O-N 3.28Å
59M49.5Very low53.7Low108 Ų108110.9 Ų110.953%0.53259%0.588SS.*  trans-72.266.4175.6-78.9-86.3-146.400110.6Q57 V61 F96Q57-M59 PolarHBondContact O-N 3.49Å; Q57-M59 VanDerWaalsContact O-N 3.14Å; M59-V61 PolarHBondContact O-N 3.21Å; M59-F96 HydrophobicContact CE-CE1 3.85Å; M59-F96 HydrophobicContact CE-CE2 3.85Å; M59-F96 HydrophobicContact CE-CZ 3.43Å; M59-F96 VanDerWaalsContact CE-CZ 3.43Å; M59-F96 HydrophobicContact CG-CZ 4.39Å; M59-F96 HydrophobicContact SD-CE2 4.19Å; M59-F96 HydrophobicContact SD-CZ 4.06Å
60Q58.5Low54.9Low160 Ų160108.4 Ų108.475%0.74856%0.564SS**PPolyproline II helixtrans-79.3116.6176.5-171.3162.9-200109.2S58S58-Q60 PolarHBondContact O-N 3.28Å
61V59.3Low56Low34 Ų34110.2 Ų110.221%0.20657%0.57CS.*PPolyproline II helixtrans-61.6126.5176.7175.70000109.1M59 V65 V88 Y91 L92M59-V61 PolarHBondContact O-N 3.21Å; V61-V65 HydrophobicContact CG1-CB 3.67Å; V61-V65 HydrophobicContact CG1-CG1 3.73Å; V61-V65 HydrophobicContact CG1-CG2 4.31Å; V61-V88 HydrophobicContact CG1-CG2 4.33Å; V61-V88 HydrophobicContact CG2-CG1 4.45Å; V61-Y91 HydrophobicContact CG1-CD1 4.01Å; V61-Y91 HydrophobicContact CG1-CE1 4.29Å; V61-Y91 HydrophobicContact CG2-CD1 4.28Å; V61-Y91 HydrophobicContact CG2-CE1 4.35Å; V61-L92 HydrophobicContact CG2-CD2 4.43Å
62P70.8Confident57.2Low46 Ų46108.6 Ų108.630%0.29955%0.55SS.*PPolyproline II helixtrans-57.3145.5-179.4-25.934.6000112.6E64 V65 Y91P62-E64 WeakPolarHBondContact CB-OE2 3.37Å; P62-E64 PolarHBondContact O-N 2.89Å; P62-E64 VanDerWaalsContact O-N 3.14Å; P62-V65 HydrophobicContact CB-CG2 4.3Å; P62-V65 HydrophobicContact CG-CG2 4.49Å; P62-V65 WeakPolarHBondContact O-CB 3.38Å; P62-V65 PolarHBondContact O-N 3.4Å; P62-Y91 VanDerWaalsContact CD-CZ 3.49Å; P62-Y91 WeakPolarHBondContact CD-OH 3.42Å; P62-Y91 HydrophobicContact CG-CE2 4.44Å
63V66.9Low58.6Low86 Ų86112.5 Ų112.552%0.52156%0.561SS.*THydrogen-bonded Turntrans-66.9-18.5-175.1-62.80000112.8L66 K67V63-L66 WeakPolarHBondContact O-CB 3.39Å; V63-L66 PolarHBondContact O-N 3.1Å; V63-K67 PolarHBondContact O-N 3.45Å
64E65.7Low59.5Low109 Ų109113.3 Ų113.351%0.50956%0.558SS.*THydrogen-bonded Turntrans-62-40.6170.3-6757.7-126.200111.3P62 L66 K67P62-E64 WeakPolarHBondContact CB-OE2 3.37Å; P62-E64 PolarHBondContact O-N 2.89Å; P62-E64 VanDerWaalsContact O-N 3.14Å; E64-L66 PolarHBondContact O-N 2.82Å; E64-K67 WeakPolarHBondContact O-CB 3.49Å; E64-K67 PolarHBondContact O-N 3.25Å; E64-K67 VanDerWaalsContact O-N 3.11Å
65V65.8Low61.1Low20 Ų20107.5 Ų107.512%0.12154%0.535CS..THydrogen-bonded Turntrans-72.9-15.1178.1-175.30000111.4V61 P62 Q87 V88 Y91V61-V65 HydrophobicContact CG1-CB 3.67Å; V61-V65 HydrophobicContact CG1-CG1 3.73Å; V61-V65 HydrophobicContact CG1-CG2 4.31Å; P62-V65 HydrophobicContact CB-CG2 4.3Å; P62-V65 HydrophobicContact CG-CG2 4.49Å; P62-V65 WeakPolarHBondContact O-CB 3.38Å; P62-V65 PolarHBondContact O-N 3.4Å; V65-Q87 HydrophobicContact CG1-CG 4.17Å; V65-Q87 WeakPolarHBondContact O-CG 3.43Å; V65-Q87 PolarHBondContact O-OE1 3.24Å; V65-V88 HydrophobicContact CG1-CG2 4.07Å; V65-Y91 HydrophobicContact CB-CG 4.5Å; V65-Y91 HydrophobicContact CG1-CD1 4.34Å; V65-Y91 HydrophobicContact CG1-CG 3.88Å; V65-Y91 HydrophobicContact CG2-CD1 4.42Å; V65-Y91 HydrophobicContact CG2-CD2 3.73Å; V65-Y91 HydrophobicContact CG2-CE2 4.17Å; V65-Y91 HydrophobicContact CG2-CG 3.87Å
66L68.1Low63.1Low64 Ų64103.9 Ų103.934%0.33552%0.524SS..THydrogen-bonded Turntrans-89.7-9.4172.6-59.9173.6000112.8V63 E64 V68 R84 V88V63-L66 WeakPolarHBondContact O-CB 3.39Å; V63-L66 PolarHBondContact O-N 3.1Å; E64-L66 PolarHBondContact O-N 2.82Å; L66-V68 PolarHBondContact O-N 3.41Å; L66-R84 HydrophobicContact CD2-CG 4.18Å; L66-R84 VanDerWaalsContact O-CZ 3.25Å; L66-R84 PolarHBondContact O-NE 3.39Å; L66-R84 PolarHBondContact O-NH2 3.03Å; L66-V88 HydrophobicContact CD2-CG2 3.99Å
67K72.6Confident64.9Low139 Ų13999 Ų9960%0.60451%0.512SS*.  trans-86.6104.9174.6-69171.6-176163.60109.7V63 E64 Q87V63-K67 PolarHBondContact O-N 3.45Å; E64-K67 WeakPolarHBondContact O-CB 3.49Å; E64-K67 PolarHBondContact O-N 3.25Å; E64-K67 VanDerWaalsContact O-N 3.11Å; K67-Q87 PolarHBondContact O-NE2 3.07Å; K67-Q87 PolarHBondContact O-OE1 3.25Å
68V70.3Confident66.6Low29 Ų2999.8 Ų99.818%0.17651%0.51CS..  trans-86.5115.4176.1-178.50000109.2L66 T70 I80 R84L66-V68 PolarHBondContact O-N 3.41Å; V68-T70 HydrophobicContact CG1-CG2 4.27Å; V68-I80 HydrophobicContact CB-CG2 4.3Å; V68-I80 HydrophobicContact CG2-CG2 4.38Å; V68-R84 VanDerWaalsContact CG2-CA 3.5Å; V68-R84 HydrophobicContact CG2-CB 3.53Å; V68-R84 HydrophobicContact CG2-CG 4.31Å
69Q61.4Low68.5Low157 Ų15799 Ų9973%0.73450%0.495SS*.  trans-84.4116.7163.4-164.464.643.200108.3
70T71.3Confident70.1Confident36 Ų3696.3 Ų96.322%0.22148%0.483CS..  trans-107138.8173.2132.50000109.4V68 L72 P75 I80V68-T70 HydrophobicContact CG1-CG2 4.27Å; T70-L72 PolarHBondContact OG1-N 2.95Å; T70-L72 VanDerWaalsContact OG1-N 3.17Å; T70-P75 HydrophobicContact CG2-CB 3.86Å; T70-P75 HydrophobicContact CG2-CG 3.81Å; T70-P75 WeakPolarHBondContact OG1-CB 3.41Å; T70-I80 HydrophobicContact CG2-CG1 4.23Å
71H66.4Low71.1Confident180 Ų18094 Ų9483%0.83347%0.467SS*.  trans-100.111.4174-62.3-83.6000112.8
72L72.1Confident71.8Confident98 Ų9896.3 Ų96.351%0.51348%0.476SS..SBendtrans-77.4137.5171.7-70.2154.4000109.6T70 N74 P75 H79T70-L72 PolarHBondContact OG1-N 2.95Å; T70-L72 VanDerWaalsContact OG1-N 3.17Å; L72-N74 PolarHBondContact O-N 3.22Å; L72-P75 HydrophobicContact CB-CB 4.2Å; L72-P75 HydrophobicContact CD1-CB 4.37Å; L72-H79 HydrophobicContact CD1-CB 4.26Å
73E71.5Confident72.3Confident189 Ų18996.3 Ų96.388%0.88348%0.477SS*.SBendtrans-62.9-30.5-179.7-165179.6146.400112.7
74N61.2Low73Confident144 Ų14497.6 Ų97.677%0.7747%0.472SS*.SBendtrans-144.793.2169.9-81.9-77.4000110.3L72L72-N74 PolarHBondContact O-N 3.22Å
75P75.6Confident73.7Confident46 Ų46101.8 Ų101.830%0.29948%0.483SS..  trans-80.1121.7-179.329.9-31.9000112.3T70 L72 I80T70-P75 HydrophobicContact CG2-CB 3.86Å; T70-P75 HydrophobicContact CG2-CG 3.81Å; T70-P75 WeakPolarHBondContact OG1-CB 3.41Å; L72-P75 HydrophobicContact CB-CB 4.2Å; L72-P75 HydrophobicContact CD1-CB 4.37Å; P75-I80 HydrophobicContact CB-CD1 4.31Å; P75-I80 HydrophobicContact CB-CG1 4.01Å; P75-I80 HydrophobicContact CG-CD1 4.21Å; P75-I80 HydrophobicContact CG-CG1 4.41Å
76T80.3Confident74.5Confident84 Ų84105.2 Ų105.252%0.51550%0.498SS..  trans-65.9149.4168.9-210000111.3Y78 H79 I80T76-Y78 PolarHBondContact O-N 3.01Å; T76-Y78 VanDerWaalsContact O-N 3.08Å; T76-H79 WeakPolarHBondContact CB-ND1 3.44Å; T76-H79 WeakPolarHBondContact O-CA 3.44Å; T76-H79 WeakPolarHBondContact O-CB 3.43Å; T76-H79 PolarHBondContact O-N 3.3Å; T76-H79 PolarHBondContact OG1-CE1 3.22Å; T76-H79 PolarHBondContact OG1-ND1 3.5Å; T76-I80 PolarHBondContact O-N 2.84Å
77D77.3Confident75.1Confident110 Ų110105 Ų10559%0.58850%0.495SS*.Hα-helixtrans-51.3-34.8176.1-78.3-79.1000114.5H79 I80 R81D77-H79 VanDerWaalsContact C-N 3.34Å; D77-H79 PolarHBondContact O-N 3.14Å; D77-I80 PolarHBondContact O-N 3.24Å; D77-R81 WeakPolarHBondContact O-CB 3.26Å; D77-R81 PolarHBondContact O-N 2.89Å
78Y75.4Confident75.6Confident159 Ų15999.8 Ų99.862%0.62448%0.475SS*.Hα-helixtrans-57-46.2173.3-178.8-95.9000112.1T76 R81 Q82T76-Y78 PolarHBondContact O-N 3.01Å; T76-Y78 VanDerWaalsContact O-N 3.08Å; Y78-R81 PolarHBondContact O-N 3.36Å; Y78-Q82 VanDerWaalsContact CE1-OE1 3.28Å; Y78-Q82 VanDerWaalsContact O-CB 3.3Å; Y78-Q82 WeakPolarHBondContact O-CB 3.35Å; Y78-Q82 PolarHBondContact O-N 2.61Å; Y78-Q82 PolarHBondContact OH-OE1 2.88Å
79H79.2Confident76.1Confident80 Ų80105.9 Ų105.937%0.3750%0.499SS..Hα-helixtrans-66.7-43.8179.7-61.9107.1000111.3L72 T76 D77 R81 Q82 S83L72-H79 HydrophobicContact CD1-CB 4.26Å; T76-H79 WeakPolarHBondContact CB-ND1 3.44Å; T76-H79 WeakPolarHBondContact O-CA 3.44Å; T76-H79 WeakPolarHBondContact O-CB 3.43Å; T76-H79 PolarHBondContact O-N 3.3Å; T76-H79 PolarHBondContact OG1-CE1 3.22Å; T76-H79 PolarHBondContact OG1-ND1 3.5Å; D77-H79 VanDerWaalsContact C-N 3.34Å; D77-H79 PolarHBondContact O-N 3.14Å; H79-R81 VanDerWaalsContact C-N 3.33Å; H79-R81 PolarHBondContact O-N 2.95Å; H79-Q82 PolarHBondContact O-N 3.18Å; H79-S83 PolarHBondContact O-N 3.05Å; H79-S83 PolarHBondContact O-OG 2.87Å
80I82.1Confident76.9Confident53 Ų53104.3 Ų104.327%0.27249%0.492SS..Hα-helixtrans-60.6-44.4175.3-57-178.9000110.4V68 T70 P75 T76 D77 R84V68-I80 HydrophobicContact CB-CG2 4.3Å; V68-I80 HydrophobicContact CG2-CG2 4.38Å; T70-I80 HydrophobicContact CG2-CG1 4.23Å; P75-I80 HydrophobicContact CB-CD1 4.31Å; P75-I80 HydrophobicContact CB-CG1 4.01Å; P75-I80 HydrophobicContact CG-CD1 4.21Å; P75-I80 HydrophobicContact CG-CG1 4.41Å; T76-I80 PolarHBondContact O-N 2.84Å; D77-I80 PolarHBondContact O-N 3.24Å; I80-R84 WeakPolarHBondContact O-CB 3.32Å; I80-R84 PolarHBondContact O-N 3.25Å
81R79.1Confident77.4Confident112 Ų112106 Ų10642%0.42350%0.495SS..Hα-helixtrans-70-33.2-179.2-157173.6-57-1574.8112.5E23 D77 Y78 H79 R85E23-R81 IonicContact OE1-CZ 2.84Å; E23-R81 IonicContact OE1-NH1 3.04Å; E23-R81 PolarHBondContact OE1-NH1 3.1Å; E23-R81 IonicContact OE1-NH2 2.83Å; E23-R81 PolarHBondContact OE1-NH2 3.33Å; E23-R81 IonicContact OE2-NH2 3.21Å; D77-R81 WeakPolarHBondContact O-CB 3.26Å; D77-R81 PolarHBondContact O-N 2.89Å; Y78-R81 PolarHBondContact O-N 3.36Å; H79-R81 VanDerWaalsContact C-N 3.33Å; H79-R81 PolarHBondContact O-N 2.95Å; R81-R85 WeakPolarHBondContact O-CG 3.5Å; R81-R85 PolarHBondContact O-N 2.99Å
82Q75.6Confident78.1Confident82 Ų82100.8 Ų100.838%0.38347%0.473SS..Hα-helixtrans-70.1-50.1173.3-178175.1-58.900111.6Y78 H79 R84 R85 Q86Y78-Q82 VanDerWaalsContact CE1-OE1 3.28Å; Y78-Q82 VanDerWaalsContact O-CB 3.3Å; Y78-Q82 WeakPolarHBondContact O-CB 3.35Å; Y78-Q82 PolarHBondContact O-N 2.61Å; Y78-Q82 PolarHBondContact OH-OE1 2.88Å; H79-Q82 PolarHBondContact O-N 3.18Å; Q82-R84 VanDerWaalsContact C-N 3.32Å; Q82-R84 PolarHBondContact O-N 3.42Å; Q82-R85 CarbonylContact O-C 3.6Å; Q82-R85 WeakPolarHBondContact O-CA 3.48Å; Q82-R85 WeakPolarHBondContact O-CB 3.36Å; Q82-R85 PolarHBondContact O-N 3.43Å; Q82-Q86 PolarHBondContact O-N 2.94Å
83S80.6Confident78.3Confident45 Ų45100 Ų10032%0.31548%0.475SS..Hα-helixtrans-64.4-35.9178.1-66.30000111.9H79 R85 Q86 Q87H79-S83 PolarHBondContact O-N 3.05Å; H79-S83 PolarHBondContact O-OG 2.87Å; S83-R85 VanDerWaalsContact C-N 3.31Å; S83-R85 PolarHBondContact O-N 3.17Å; S83-Q86 PolarHBondContact O-N 3.46Å; S83-Q87 VanDerWaalsContact O-CB 3.28Å; S83-Q87 WeakPolarHBondContact O-CB 3.44Å; S83-Q87 PolarHBondContact O-N 3.49Å
84R80.8Confident78.2Confident114 Ų11495.2 Ų95.243%0.4346%0.459SS..Hα-helixtrans-58.1-42.6169.2-174.1175.6-82.9166.4-3.2111.6L66 V68 I80 Q82 V88L66-R84 HydrophobicContact CD2-CG 4.18Å; L66-R84 VanDerWaalsContact O-CZ 3.25Å; L66-R84 PolarHBondContact O-NE 3.39Å; L66-R84 PolarHBondContact O-NH2 3.03Å; V68-R84 VanDerWaalsContact CG2-CA 3.5Å; V68-R84 HydrophobicContact CG2-CB 3.53Å; V68-R84 HydrophobicContact CG2-CG 4.31Å; I80-R84 WeakPolarHBondContact O-CB 3.32Å; I80-R84 PolarHBondContact O-N 3.25Å; Q82-R84 VanDerWaalsContact C-N 3.32Å; Q82-R84 PolarHBondContact O-N 3.42Å; R84-V88 HydrophobicContact CG-CG2 4.43Å; R84-V88 WeakPolarHBondContact O-CB 3.34Å; R84-V88 WeakPolarHBondContact O-CG2 3.13Å; R84-V88 PolarHBondContact O-N 3.45Å
85R81.4Confident78.4Confident197 Ų19789.8 Ų89.874%0.74343%0.431SS*.Hα-helixtrans-65.6-37176.3-81.8179162.4-164.6-4.8112.6R81 Q82 S83 K89R81-R85 WeakPolarHBondContact O-CG 3.5Å; R81-R85 PolarHBondContact O-N 2.99Å; Q82-R85 CarbonylContact O-C 3.6Å; Q82-R85 WeakPolarHBondContact O-CA 3.48Å; Q82-R85 WeakPolarHBondContact O-CB 3.36Å; Q82-R85 PolarHBondContact O-N 3.43Å; S83-R85 VanDerWaalsContact C-N 3.31Å; S83-R85 PolarHBondContact O-N 3.17Å; R85-K89 VanDerWaalsContact O-CB 3.26Å; R85-K89 WeakPolarHBondContact O-CB 3.44Å; R85-K89 PolarHBondContact O-N 3.01Å
86Q81.7Confident77.7Confident91 Ų9192.4 Ų92.443%0.42544%0.438SS..Hα-helixtrans-67.2-51.6175.1-69.9171.3-55.100111.1Q82 S83 V88 K89 E90Q82-Q86 PolarHBondContact O-N 2.94Å; S83-Q86 PolarHBondContact O-N 3.46Å; Q86-V88 VanDerWaalsContact C-N 3.33Å; Q86-V88 PolarHBondContact O-N 2.9Å; Q86-K89 CarbonylContact O-C 3.6Å; Q86-K89 WeakPolarHBondContact O-CA 3.35Å; Q86-K89 WeakPolarHBondContact O-CB 3.49Å; Q86-K89 PolarHBondContact O-N 3.39Å; Q86-E90 WeakPolarHBondContact O-CG 3.33Å; Q86-E90 PolarHBondContact O-N 2.97Å
87Q82.4Confident76.5Confident59 Ų5991 Ų9128%0.27644%0.435SS..Hα-helixtrans-56.1-43177.4-169178.79.600112.4V65 K67 S83 Y91V65-Q87 HydrophobicContact CG1-CG 4.17Å; V65-Q87 WeakPolarHBondContact O-CG 3.43Å; V65-Q87 PolarHBondContact O-OE1 3.24Å; K67-Q87 PolarHBondContact O-NE2 3.07Å; K67-Q87 PolarHBondContact O-OE1 3.25Å; S83-Q87 VanDerWaalsContact O-CB 3.28Å; S83-Q87 WeakPolarHBondContact O-CB 3.44Å; S83-Q87 PolarHBondContact O-N 3.49Å; Q87-Y91 WeakPolarHBondContact O-CB 3.49Å; Q87-Y91 PolarHBondContact O-N 2.82Å
88V82.8Confident75Confident30 Ų3090.7 Ų90.718%0.18243%0.433CS..Hα-helixtrans-68.2-40.1173.5172.60000111.9V61 V65 L66 R84 Q86 Y91 L92V61-V88 HydrophobicContact CG1-CG2 4.33Å; V61-V88 HydrophobicContact CG2-CG1 4.45Å; V65-V88 HydrophobicContact CG1-CG2 4.07Å; L66-V88 HydrophobicContact CD2-CG2 3.99Å; R84-V88 HydrophobicContact CG-CG2 4.43Å; R84-V88 WeakPolarHBondContact O-CB 3.34Å; R84-V88 WeakPolarHBondContact O-CG2 3.13Å; R84-V88 PolarHBondContact O-N 3.45Å; Q86-V88 VanDerWaalsContact C-N 3.33Å; Q86-V88 PolarHBondContact O-N 2.9Å; V88-Y91 PolarHBondContact O-N 3.48Å; V88-L92 HydrophobicContact CG1-CD1 3.96Å; V88-L92 HydrophobicContact CG1-CG 4.38Å; V88-L92 WeakPolarHBondContact O-CB 3.47Å; V88-L92 VanDerWaalsContact O-CG 3.26Å; V88-L92 WeakPolarHBondContact O-CG 3.5Å; V88-L92 PolarHBondContact O-N 3.07Å
89K81.1Confident73.7Confident158 Ų15888.9 Ų88.969%0.68743%0.429SS*.Hα-helixtrans-63.1-41.5176.3-175.2-173.1177.1-169.80111.6R85 Q86 L92 S93R85-K89 VanDerWaalsContact O-CB 3.26Å; R85-K89 WeakPolarHBondContact O-CB 3.44Å; R85-K89 PolarHBondContact O-N 3.01Å; Q86-K89 CarbonylContact O-C 3.6Å; Q86-K89 WeakPolarHBondContact O-CA 3.35Å; Q86-K89 WeakPolarHBondContact O-CB 3.49Å; Q86-K89 PolarHBondContact O-N 3.39Å; K89-L92 PolarHBondContact O-N 3.42Å; K89-S93 VanDerWaalsContact O-CB 3.27Å; K89-S93 WeakPolarHBondContact O-CB 3.38Å; K89-S93 PolarHBondContact O-N 3.35Å
90E78.4Confident72.3Confident124 Ų12492.7 Ų92.758%0.57945%0.447SS*.Hα-helixtrans-66.9-43.6176.4-73.9163.2-14700111.7Q86 L92 S93 T94Q86-E90 WeakPolarHBondContact O-CG 3.33Å; Q86-E90 PolarHBondContact O-N 2.97Å; E90-L92 PolarHBondContact O-N 3.36Å; E90-S93 PolarHBondContact O-N 2.93Å; E90-T94 WeakPolarHBondContact O-CB 3.48Å; E90-T94 WeakPolarHBondContact O-CG2 3.25Å; E90-T94 PolarHBondContact O-N 3.47Å; E90-T94 PolarHBondContact O-OG1 3.04Å
91Y81.3Confident70.3Confident72 Ų7294.4 Ų94.428%0.28246%0.46SS..Hα-helixtrans-60.3-43.9173.8176.8-101.4000112.3V61 P62 V65 Q87 V88 T94 T95V61-Y91 HydrophobicContact CG1-CD1 4.01Å; V61-Y91 HydrophobicContact CG1-CE1 4.29Å; V61-Y91 HydrophobicContact CG2-CD1 4.28Å; V61-Y91 HydrophobicContact CG2-CE1 4.35Å; P62-Y91 VanDerWaalsContact CD-CZ 3.49Å; P62-Y91 WeakPolarHBondContact CD-OH 3.42Å; P62-Y91 HydrophobicContact CG-CE2 4.44Å; V65-Y91 HydrophobicContact CB-CG 4.5Å; V65-Y91 HydrophobicContact CG1-CD1 4.34Å; V65-Y91 HydrophobicContact CG1-CG 3.88Å; V65-Y91 HydrophobicContact CG2-CD1 4.42Å; V65-Y91 HydrophobicContact CG2-CD2 3.73Å; V65-Y91 HydrophobicContact CG2-CE2 4.17Å; V65-Y91 HydrophobicContact CG2-CG 3.87Å; Q87-Y91 WeakPolarHBondContact O-CB 3.49Å; Q87-Y91 PolarHBondContact O-N 2.82Å; V88-Y91 PolarHBondContact O-N 3.48Å; Y91-T94 WeakPolarHBondContact CA-OG1 3.3Å; Y91-T94 PolarHBondContact O-OG1 3.21Å; Y91-T94 VanDerWaalsContact O-OG1 3.11Å; Y91-T95 VanDerWaalsContact CE2-OG1 3.31Å; Y91-T95 WeakPolarHBondContact CE2-OG1 3.5Å; Y91-T95 WeakPolarHBondContact O-CB 3.24Å; Y91-T95 PolarHBondContact O-N 3.14Å; Y91-T95 PolarHBondContact O-OG1 3.07Å
92L80.6Confident68.5Low70 Ų7094.1 Ų94.137%0.36647%0.47SS..Hα-helixtrans-65.8-43.8174.9-68.4171.9000111.3V61 V88 K89 E90 T94 F96V61-L92 HydrophobicContact CG2-CD2 4.43Å; V88-L92 HydrophobicContact CG1-CD1 3.96Å; V88-L92 HydrophobicContact CG1-CG 4.38Å; V88-L92 WeakPolarHBondContact O-CB 3.47Å; V88-L92 VanDerWaalsContact O-CG 3.26Å; V88-L92 WeakPolarHBondContact O-CG 3.5Å; V88-L92 PolarHBondContact O-N 3.07Å; K89-L92 PolarHBondContact O-N 3.42Å; E90-L92 PolarHBondContact O-N 3.36Å; L92-T94 PolarHBondContact O-N 3.13Å; L92-F96 HydrophobicContact CD2-CD2 4.28Å; L92-F96 HydrophobicContact CD2-CE2 3.67Å; L92-F96 HydrophobicContact CD2-CZ 4.49Å; L92-F96 WeakPolarHBondContact O-CB 3.46Å; L92-F96 WeakPolarHBondContact O-CD2 3.35Å; L92-F96 PolarHBondContact O-N 2.91Å
93S76.2Confident66.9Low81 Ų8198.7 Ų98.757%0.56649%0.491SS*.Hα-helixtrans-61-46.4179-171.40000112K89 E90 A97K89-S93 VanDerWaalsContact O-CB 3.27Å; K89-S93 WeakPolarHBondContact O-CB 3.38Å; K89-S93 PolarHBondContact O-N 3.35Å; E90-S93 PolarHBondContact O-N 2.93Å; S93-A97 WeakPolarHBondContact O-CB 3.41Å; S93-A97 PolarHBondContact O-N 2.72Å
94T70Confident65Low89 Ų89100.4 Ų100.455%0.54651%0.508SS..Hα-helixtrans-69.7-46.3178.449.70000112.5E90 Y91 L92 F96 N98E90-T94 WeakPolarHBondContact O-CB 3.48Å; E90-T94 WeakPolarHBondContact O-CG2 3.25Å; E90-T94 PolarHBondContact O-N 3.47Å; E90-T94 PolarHBondContact O-OG1 3.04Å; Y91-T94 WeakPolarHBondContact CA-OG1 3.3Å; Y91-T94 PolarHBondContact O-OG1 3.21Å; Y91-T94 VanDerWaalsContact O-OG1 3.11Å; L92-T94 PolarHBondContact O-N 3.13Å; T94-F96 VanDerWaalsContact C-N 3.33Å; T94-F96 PolarHBondContact O-N 2.75Å; T94-N98 WeakPolarHBondContact O-CB 3.43Å; T94-N98 PolarHBondContact O-N 3.04Å; T94-N98 VanDerWaalsContact O-N 3.07Å
95T66Low63.1Low30 Ų30101.4 Ų101.418%0.18453%0.527CS..Hα-helixtrans-68.5-28.9-176.9-58.10000113Y91 K99Y91-T95 VanDerWaalsContact CE2-OG1 3.31Å; Y91-T95 WeakPolarHBondContact CE2-OG1 3.5Å; Y91-T95 WeakPolarHBondContact O-CB 3.24Å; Y91-T95 PolarHBondContact O-N 3.14Å; Y91-T95 PolarHBondContact O-OG1 3.07Å; T95-K99 WeakPolarHBondContact O-CD 3.29Å; T95-K99 WeakPolarHBondContact O-CG 3.49Å
96F59.2Low60.9Low101 Ų10196.1 Ų96.144%0.44353%0.525SS..Hα-helixtrans-91.8-31.5177.5-74.5-112.8000112.8M59 L92 T94M59-F96 HydrophobicContact CE-CE1 3.85Å; M59-F96 HydrophobicContact CE-CE2 3.85Å; M59-F96 HydrophobicContact CE-CZ 3.43Å; M59-F96 VanDerWaalsContact CE-CZ 3.43Å; M59-F96 HydrophobicContact CG-CZ 4.39Å; M59-F96 HydrophobicContact SD-CE2 4.19Å; M59-F96 HydrophobicContact SD-CZ 4.06Å; L92-F96 HydrophobicContact CD2-CD2 4.28Å; L92-F96 HydrophobicContact CD2-CE2 3.67Å; L92-F96 HydrophobicContact CD2-CZ 4.49Å; L92-F96 WeakPolarHBondContact O-CB 3.46Å; L92-F96 WeakPolarHBondContact O-CD2 3.35Å; L92-F96 PolarHBondContact O-N 2.91Å; T94-F96 VanDerWaalsContact C-N 3.33Å; T94-F96 PolarHBondContact O-N 2.75Å
97A54.9Low58.6Low55 Ų5596 Ų9646%0.45555%0.547SS..Hα-helixtrans-66.5-46.7173.400000112S93 K99 Q100S93-A97 WeakPolarHBondContact O-CB 3.41Å; S93-A97 PolarHBondContact O-N 2.72Å; A97-K99 PolarHBondContact O-N 3.11Å; A97-K99 VanDerWaalsContact O-N 3.08Å; A97-Q100 PolarHBondContact O-N 3.12Å
98N46.4Very low56.3Low103 Ų103100.8 Ų100.855%0.55157%0.574SS**Hα-helixtrans-62.8-22.2-176.1-164.216000113.2T94 Q100 T101 V102T94-N98 WeakPolarHBondContact O-CB 3.43Å; T94-N98 PolarHBondContact O-N 3.04Å; T94-N98 VanDerWaalsContact O-N 3.07Å; N98-Q100 VanDerWaalsContact C-N 3.3Å; N98-Q100 PolarHBondContact O-N 3.39Å; N98-T101 WeakPolarHBondContact CA-OG1 3.42Å; N98-T101 PolarHBondContact O-OG1 3.07Å; N98-T101 VanDerWaalsContact O-OG1 3.09Å; N98-T101 PolarHBondContact OD1-OG1 3.16Å; N98-V102 WeakPolarHBondContact O-CG2 3.48Å
99K48.9Very low53.8Low120 Ų120107.5 Ų107.552%0.52261%0.605SS.*Hα-helixtrans-74.4-15.6176.2-70.1-179.6-177.5-171.90113.9T95 A97T95-K99 WeakPolarHBondContact O-CD 3.29Å; T95-K99 WeakPolarHBondContact O-CG 3.49Å; A97-K99 PolarHBondContact O-N 3.11Å; A97-K99 VanDerWaalsContact O-N 3.08Å
100Q49.2Very low51.8Low160 Ų160105.6 Ų105.675%0.74861%0.609SS**Hα-helixtrans-90.5-34173.3-67.3-171.363.100112.4A97 N98A97-Q100 PolarHBondContact O-N 3.12Å; N98-Q100 VanDerWaalsContact C-N 3.3Å; N98-Q100 PolarHBondContact O-N 3.39Å
101T40.9Very low50Low89 Ų89105.4 Ų105.455%0.54662%0.618SS.*Hα-helixtrans-70.3-33.1-178.236.70000114.1N98 H103 A104N98-T101 WeakPolarHBondContact CA-OG1 3.42Å; N98-T101 PolarHBondContact O-OG1 3.07Å; N98-T101 VanDerWaalsContact O-OG1 3.09Å; N98-T101 PolarHBondContact OD1-OG1 3.16Å; T101-H103 VanDerWaalsContact C-N 3.25Å; T101-H103 PolarHBondContact O-N 3Å; T101-A104 PolarHBondContact O-N 3.08Å
102V41Very low47.9Very low106 Ų106107.6 Ų107.664%0.64264%0.644SS**G310 helixtrans-66.7-24.1-177.9174.10000113.1N98 A104N98-V102 WeakPolarHBondContact O-CG2 3.48Å; V102-A104 VanDerWaalsContact C-N 3.34Å; V102-A104 PolarHBondContact O-N 3.18Å
103H42.1Very low46Very low179 Ų179109.8 Ų109.883%0.82966%0.663SS**G310 helixtrans-82-4.2179.8-102.2-77000115T101T101-H103 VanDerWaalsContact C-N 3.25Å; T101-H103 PolarHBondContact O-N 3Å
104A40.1Very low44.6Very low80 Ų80111.7 Ų111.766%0.66167%0.673SS**G310 helixtrans-98.5-13.3-170.800000115.5T101 V102T101-A104 PolarHBondContact O-N 3.08Å; V102-A104 VanDerWaalsContact C-N 3.34Å; V102-A104 PolarHBondContact O-N 3.18Å
105V41.7Very low42.7Very low136 Ų136113.4 Ų113.482%0.82468%0.683SS**SBendtrans-136.467.8-172.4-167.90000111.9
106A34.4Very low41Very low86 Ų86119.8 Ų119.871%0.71172%0.717SS**  trans-156.658.7172.600000112.6I108A106-I108 PolarHBondContact O-N 2.88Å; A106-I108 VanDerWaalsContact O-N 3.14Å
107G34.2Very low39.8Very low87 Ų87123.1 Ų123.190%0.89774%0.735SS**  trans-76.295.5177.800000112.9
108I33.2Very low38.7Very low161 Ų161124 Ų12483%0.82675%0.75SS**  trans-130.1138.2171.3-59.5-178.7000109.4A106A106-I108 PolarHBondContact O-N 2.88Å; A106-I108 VanDerWaalsContact O-N 3.14Å
109M30.8Very low38.8Very low170 Ų170125.1 Ų125.184%0.83776%0.763SS**PPolyproline II helixtrans-67.5141.2-173.2-67.5161.450.200114.2
110P38.8Very low38Very low118 Ų118124.7 Ų124.777%0.76678%0.782SS**PPolyproline II helixtrans-87.2139.2152.834-29.9000111.2
111P39.7Very low37Very low120 Ų120120.9 Ų120.978%0.77979%0.785SS**PPolyproline II helixtrans-86.3149.7173.234.2-34000112.6
112S37.3Very low36.6Very low118 Ų118120.1 Ų120.183%0.82580%0.795SS**  trans-109133.5178.459.10000113.2
113P40.4Very low36.1Very low117 Ų117121 Ų12176%0.7681%0.806SS**  trans-143.8167.5144.738.4-24.8000113.9
114P46.6Very low35.6Very low121 Ų121117 Ų11779%0.78680%0.804SS**  cis-128.8179.1-30.337.6-22000113.1
115T30.9Very low35.2Very low124 Ų124118.5 Ų118.576%0.76181%0.81SS**  trans-62154.2174.648.60000115.2
116N31Very low35Very low165 Ų165116.7 Ų116.788%0.88281%0.809SS**  trans-125.1150.3142.8-16413.4000109.8
117M34Very low35.7Very low170 Ų170118.3 Ų118.384%0.83781%0.813SS**  trans-109.4147.5-168-76.1-76.7-144.800113.1
118G30.8Very low36.4Very low74 Ų74119.7 Ų119.776%0.76381%0.806SS**  trans-175.5107.1173.300000111.5
119P47.8Very low36.2Very low127 Ų127119.3 Ų119.383%0.82580%0.8SS**  trans-112.4168.1-160.340.5-36.2000117.4
120A32.4Very low36.1Very low110 Ų110119.3 Ų119.391%0.90980%0.803SS**  trans76.1146.9154.700000119.8
121G29Very low35.6Very low80 Ų80121.5 Ų121.583%0.82580%0.802SS**  trans-177.5-44.817500000118.5
122G31.5Very low35.1Very low73 Ų73120.9 Ų120.975%0.75380%0.801SS**  trans77.1172.8-171.900000113.8
123S31.6Very low35.4Very low125 Ų125121.8 Ų121.887%0.87480%0.804SS**  cis-153.7170.7-1.8-88.20000111.4
124A30.9Very low34.9Very low96 Ų96123 Ų12379%0.79380%0.799SS**  trans-19.8152.1173.100000119
125S32.8Very low34.2Very low111 Ų111123.8 Ų123.878%0.77679%0.794SS**  -162.6134.250.144.80000119
126A36.7Very low34.3Very low98 Ų98127.1 Ų127.181%0.8179%0.793SS**  trans56.6156130.500000124.9
127P49.3Very low34.3Very low120 Ų120127.5 Ų127.578%0.77979%0.787SS**  trans-121.8-151.5-16739.6-16.4000111.1
128P48.3Very low34Very low116 Ų116126.9 Ų126.975%0.75378%0.782SS**  cis-143.5178.32.343.4-22.1000120.5
129Q30.5Very low33.9Very low152 Ų152131.1 Ų131.171%0.7178%0.782SS**  trans-36.5164.1168.5-50.4171.3400120.6
130L27.6Very low33.2Very low171 Ų171133.3 Ų133.390%0.89579%0.786SS**  trans-127.6166.6138.9-78.4-179.3000111.1
131H27.5Very low33.1Very low163 Ų163136.1 Ų136.176%0.75578%0.782SS**  trans-102.3157.2-154.1-80.850.5000117.1
132S31.1Very low33.5Very low107 Ų107137.8 Ų137.875%0.74878%0.781SS**  trans-76.7171.1162.7-41.70000112.5
133P43.7Very low33.8Very low138 Ų138137.5 Ų137.590%0.89678%0.778SS**  -139.5-166.894.336.3-20.3000114.5
134H28.2Very low34.5Very low141 Ų141139.3 Ų139.365%0.65378%0.778SS**  trans-130.5146.4-154.4159.395.8000113.7
135M32.1Very low34.9Very low138 Ų138140.5 Ų140.568%0.6878%0.78SS**  trans-160.7161.9138.8-101.4-50.6152.500113.6
136R33.4Very low35.5Very low194 Ų194139.1 Ų139.173%0.73278%0.776SS**  trans-64.3172.8-173.8-51.3171.6-175.6101.6-3.4113.5
137K30.4Very low36.2Very low174 Ų174140.9 Ų140.976%0.75778%0.779SS**  cis-147.8163.214.4-138.9-173.6170.1-152.70105.6
138E28Very low36.3Very low156 Ų156142.8 Ų142.873%0.72978%0.783SS**  cis-161.1174.345-166.5130-124.800110.9
139Q30.1Very low36Very low163 Ų163140.4 Ų140.476%0.76277%0.769SS**  trans-111.8111.8-149.6-174.4170-17.200114.7M141Q139-M141 HydrophobicContact CG-CG 4.5Å; Q139-M141 PolarHBondContact O-N 3.07Å
140L32.6Very low37.1Very low174 Ų174139.2 Ų139.291%0.91177%0.774SS**  trans-69119.5167.3-72.5168.5000110.6
141M30.3Very low38.3Very low169 Ų169138.1 Ų138.183%0.83377%0.766SS**  trans-103.491.8166.9-66.6-157.170.700109.9Q139Q139-M141 HydrophobicContact CG-CG 4.5Å; Q139-M141 PolarHBondContact O-N 3.07Å
142S37.3Very low39.8Very low114 Ų114134.4 Ų134.480%0.79776%0.764SS**PPolyproline II helixtrans-71129.8172.3-168.70000110.4
143G38.2Very low40.4Very low68 Ų68137.6 Ų137.670%0.70177%0.769SS**PPolyproline II helixtrans-70137.6178.500000113S145G143-S145 PolarHBondContact O-N 3.08Å
144N45.6Very low40.7Very low163 Ų163137 Ų13787%0.87276%0.758SS**PPolyproline II helixtrans-71.2121.4176.2-71.7-19.1000111.4
145S38.9Very low41.7Very low120 Ų120137.7 Ų137.784%0.83977%0.766SS**  trans-154.4135.4163.4-830000111.4G143G143-S145 PolarHBondContact O-N 3.08Å
146A46.7Very low42.5Very low82 Ų82138.4 Ų138.468%0.67877%0.771SS**  trans-77.6144176.900000110.6N148A146-N148 PolarHBondContact O-N 2.68Å
147P51.3Low43Very low136 Ų136131.1 Ų131.188%0.88376%0.757SS**SBendtrans-78.816.7-158.632.2-39.1000115.9
148N50.5Low44.1Very low160 Ų160127.6 Ų127.686%0.85675%0.754SS**  trans-146.759.8-170.5-153.35.1000113.2A146A146-N148 PolarHBondContact O-N 2.68Å
149S42.5Very low45.1Very low66 Ų66124 Ų12446%0.46275%0.745SS.*  trans-137134.8176.2-177.90000110.7M151 A152S149-M151 PolarHBondContact O-N 3.48Å; S149-A152 WeakPolarHBondContact O-CB 3.2Å; S149-A152 PolarHBondContact O-N 3.41Å
150P52.7Low46Very low127 Ų127121.3 Ų121.383%0.82573%0.733SS**G310 helixtrans-67.6-8.8-168.125.9-35.5000115.5A152P150-A152 VanDerWaalsContact C-N 3.29Å
151M53.7Low47.2Very low148 Ų148118.8 Ų118.873%0.72972%0.717SS**G310 helixtrans-71.9-19.9170.4-85.3167.751.400113.6S149 M153 L154S149-M151 PolarHBondContact O-N 3.48Å; M151-M153 PolarHBondContact O-N 2.83Å; M151-M153 VanDerWaalsContact O-N 3.08Å; M151-L154 PolarHBondContact O-N 3Å; M151-L154 VanDerWaalsContact O-N 3.11Å
152A58.3Low48.6Very low84 Ų84117.9 Ų117.969%0.69471%0.708SS**G310 helixtrans-66.6-11.7-171.500000115.1S149 P150S149-A152 WeakPolarHBondContact O-CB 3.2Å; S149-A152 PolarHBondContact O-N 3.41Å; P150-A152 VanDerWaalsContact C-N 3.29Å
153M44.2Very low49.8Very low174 Ų174118 Ų11886%0.85770%0.696SS**G310 helixtrans-85.2-6.7175.2-57.9-157.7-51.700113.9M151 N155M151-M153 PolarHBondContact O-N 2.83Å; M151-M153 VanDerWaalsContact O-N 3.08Å; M153-N155 VanDerWaalsContact C-N 3.32Å; M153-N155 PolarHBondContact O-N 3.13Å
154L50.3Low51.1Low127 Ų127119 Ų11967%0.66568%0.683SS**  trans-82.378.4176.1-61.6-177.3000110.1M151 I156M151-L154 PolarHBondContact O-N 3Å; M151-L154 VanDerWaalsContact O-N 3.11Å; L154-I156 PolarHBondContact O-N 3.15Å
155N49.6Very low52Low155 Ų155117.5 Ų117.583%0.82967%0.671SS**  trans-71.468.1175.7-17091.2000111.5M153 G157M153-N155 VanDerWaalsContact C-N 3.32Å; M153-N155 PolarHBondContact O-N 3.13Å; N155-G157 PolarHBondContact O-N 3.17Å
156I47.3Very low53.5Low152 Ų152118.1 Ų118.178%0.77966%0.661SS**  trans-80.691.9169.1-56.2173.6000106.3L154L154-I156 PolarHBondContact O-N 3.15Å
157G44.8Very low54.9Low42 Ų42118.1 Ų118.143%0.43365%0.652SS.*  trans-65.5141.3179.200000112N155 S159N155-G157 PolarHBondContact O-N 3.17Å; G157-S159 PolarHBondContact O-N 3.04Å
158S52.7Low55.8Low99 Ų99116 Ų11669%0.69263%0.633SS**THydrogen-bonded Turntrans-74.672.2171.7-177.70000110.1E161S158-E161 PolarHBondContact OG-OE2 3.45Å
159S48.6Very low56.8Low80 Ų80113.9 Ų113.956%0.55962%0.621SS**THydrogen-bonded Turntrans-111.2-33.2165.763.50000111.5G157 E161 K162 E163G157-S159 PolarHBondContact O-N 3.04Å; S159-E161 VanDerWaalsContact C-N 3.34Å; S159-E161 PolarHBondContact O-N 3.4Å; S159-K162 PolarHBondContact O-N 2.9Å; S159-E163 PolarHBondContact O-N 3.01Å
160H50.7Low58.4Low108 Ų108115.9 Ų115.950%0.563%0.627SS.*Hα-helixtrans-72.7-23.6-172.9-167.937.7000114E163 M164H160-E163 IonicContact ND1-OE2 3.86Å; H160-M164 PolarHBondContact O-N 3.06Å; H160-M164 VanDerWaalsContact O-N 3.16Å
161E56.6Low59.5Low121 Ų121114.4 Ų114.457%0.56561%0.611SS**Hα-helixtrans-67-43.3177.1-68.3171.312700110.9S158 S159 M164 E165S158-E161 PolarHBondContact OG-OE2 3.45Å; S159-E161 VanDerWaalsContact C-N 3.34Å; S159-E161 PolarHBondContact O-N 3.4Å; E161-M164 PolarHBondContact O-N 3.33Å; E161-E165 PolarHBondContact O-N 2.93Å
162K59.5Low60.2Low149 Ų149112.3 Ų112.365%0.64860%0.601SS**Hα-helixtrans-66.5-42.1175.2-80.4-167.3167.6-165.80113.6S159 M164 E165 E166S159-K162 PolarHBondContact O-N 2.9Å; K162-M164 PolarHBondContact O-N 3.1Å; K162-E165 PolarHBondContact O-N 2.67Å; K162-E166 WeakPolarHBondContact O-CG 3.3Å; K162-E166 PolarHBondContact O-N 2.93Å
163E63Low60.9Low117 Ų117112 Ų11255%0.54760%0.595SS.*Hα-helixtrans-60.1-32.5174.9-70.2-178.1142.900112.1S159 H160 V167S159-E163 PolarHBondContact O-N 3.01Å; H160-E163 IonicContact ND1-OE2 3.86Å; E163-V167 WeakPolarHBondContact O-CB 3.37Å; E163-V167 WeakPolarHBondContact O-CG2 3.46Å; E163-V167 PolarHBondContact O-N 2.98Å
164M65.7Low61.8Low89 Ų89109.3 Ų109.344%0.43858%0.581SS.*Hα-helixtrans-77.8-36.8175-76.3-170.9-68.800112.9H160 E161 K162 V167 I168H160-M164 PolarHBondContact O-N 3.06Å; H160-M164 VanDerWaalsContact O-N 3.16Å; E161-M164 PolarHBondContact O-N 3.33Å; K162-M164 PolarHBondContact O-N 3.1Å; M164-V167 PolarHBondContact O-N 3.1Å; M164-I168 WeakPolarHBondContact O-CB 3.45Å; M164-I168 WeakPolarHBondContact O-CD1 3.27Å; M164-I168 WeakPolarHBondContact O-CG1 3.36Å; M164-I168 PolarHBondContact O-N 3.2Å
165E64.3Low62.1Low131 Ų131109 Ų10961%0.61258%0.577SS**Hα-helixtrans-65-44.6173.8-73-177.9166.300111.7E161 K162 V167 I168 D169E161-E165 PolarHBondContact O-N 2.93Å; K162-E165 PolarHBondContact O-N 2.67Å; E165-V167 VanDerWaalsContact C-N 3.35Å; E165-V167 PolarHBondContact O-N 2.69Å; E165-I168 PolarHBondContact O-N 3.44Å; E165-I168 VanDerWaalsContact O-N 3.12Å; E165-D169 PolarHBondContact O-N 3.34Å
166E71.3Confident62.3Low133 Ų133106.1 Ų106.162%0.62157%0.568SS**Hα-helixtrans-60.2-41.7175.2-72.6174.9-172.500111.9K162 I168 D169 D170K162-E166 WeakPolarHBondContact O-CG 3.3Å; K162-E166 PolarHBondContact O-N 2.93Å; E166-I168 VanDerWaalsContact C-N 3.35Å; E166-I168 PolarHBondContact O-N 3.34Å; E166-D169 PolarHBondContact O-N 3.01Å; E166-D170 PolarHBondContact O-N 2.88Å
167V75.3Confident62.5Low83 Ų83102.4 Ų102.450%0.50356%0.556SS.*Hα-helixtrans-69.1-30.2175.4168.30000112.6E163 M164 E165 I171E163-V167 WeakPolarHBondContact O-CB 3.37Å; E163-V167 WeakPolarHBondContact O-CG2 3.46Å; E163-V167 PolarHBondContact O-N 2.98Å; M164-V167 PolarHBondContact O-N 3.1Å; E165-V167 VanDerWaalsContact C-N 3.35Å; E165-V167 PolarHBondContact O-N 2.69Å; V167-I171 HydrophobicContact CG1-CD1 3.9Å; V167-I171 WeakPolarHBondContact O-CB 3.46Å; V167-I171 WeakPolarHBondContact O-CD1 3.44Å; V167-I171 WeakPolarHBondContact O-CG1 3.37Å; V167-I171 PolarHBondContact O-N 3.14Å; V167-I171 VanDerWaalsContact O-N 3.11Å
168I71.1Confident62.8Low92 Ų92108 Ų10847%0.47257%0.565SS.*Hα-helixtrans-70.9-44.1175.4-74.6163.7000110.5M164 E165 E166 I171 I172M164-I168 WeakPolarHBondContact O-CB 3.45Å; M164-I168 WeakPolarHBondContact O-CD1 3.27Å; M164-I168 WeakPolarHBondContact O-CG1 3.36Å; M164-I168 PolarHBondContact O-N 3.2Å; E165-I168 PolarHBondContact O-N 3.44Å; E165-I168 VanDerWaalsContact O-N 3.12Å; E166-I168 VanDerWaalsContact C-N 3.35Å; E166-I168 PolarHBondContact O-N 3.34Å; I168-I171 PolarHBondContact O-N 3.03Å; I168-I172 HydrophobicContact CG2-CD1 3.76Å; I168-I172 WeakPolarHBondContact O-CG1 3.45Å; I168-I172 PolarHBondContact O-N 3.23Å
169D71.9Confident62.5Low114 Ų114109.9 Ų109.961%0.6157%0.567SS**Hα-helixtrans-64.8-40.4175.8-89.8-3.6000111.9E165 E166 I171 I172 S173E165-D169 PolarHBondContact O-N 3.34Å; E166-D169 PolarHBondContact O-N 3.01Å; D169-I171 VanDerWaalsContact C-N 3.32Å; D169-I171 PolarHBondContact O-N 2.94Å; D169-I172 PolarHBondContact O-N 2.74Å; D169-S173 WeakPolarHBondContact O-CB 3.37Å; D169-S173 PolarHBondContact O-N 2.84Å
170D74.8Confident62.4Low109 Ų109113.4 Ų113.458%0.58358%0.58SS**Hα-helixtrans-60-40.6172.9-1061.3000112E166 M174E166-D170 PolarHBondContact O-N 2.88Å; D170-M174 WeakPolarHBondContact O-CB 3.43Å; D170-M174 WeakPolarHBondContact O-CG 3.31Å; D170-M174 PolarHBondContact O-N 3.43Å
171I75.2Confident62.3Low95 Ų95113.2 Ų113.249%0.48759%0.586SS.*Hα-helixtrans-67.3-42.1176.9-73.4167.2000111.3V167 I168 D169 Q175V167-I171 HydrophobicContact CG1-CD1 3.9Å; V167-I171 WeakPolarHBondContact O-CB 3.46Å; V167-I171 WeakPolarHBondContact O-CD1 3.44Å; V167-I171 WeakPolarHBondContact O-CG1 3.37Å; V167-I171 PolarHBondContact O-N 3.14Å; V167-I171 VanDerWaalsContact O-N 3.11Å; I168-I171 PolarHBondContact O-N 3.03Å; D169-I171 VanDerWaalsContact C-N 3.32Å; D169-I171 PolarHBondContact O-N 2.94Å; I171-Q175 WeakPolarHBondContact O-CB 3.38Å; I171-Q175 PolarHBondContact O-N 3.46Å
172I69.5Low61.9Low104 Ų104115.2 Ų115.253%0.53360%0.595SS.*Hα-helixtrans-67.5-42.1178.1-68.8167.2000110.5I168 D169 Q175 S176I168-I172 HydrophobicContact CG2-CD1 3.76Å; I168-I172 WeakPolarHBondContact O-CG1 3.45Å; I168-I172 PolarHBondContact O-N 3.23Å; D169-I172 PolarHBondContact O-N 2.74Å; I172-Q175 PolarHBondContact O-N 3.06Å; I172-S176 PolarHBondContact O-N 3.03Å
173S72.6Confident61.2Low79 Ų79111.1 Ų111.155%0.55260%0.596SS**Hα-helixtrans-60-50175.1-176.70000111.9D169 Q175 S176 S177D169-S173 WeakPolarHBondContact O-CB 3.37Å; D169-S173 PolarHBondContact O-N 2.84Å; S173-Q175 VanDerWaalsContact C-N 3.29Å; S173-Q175 PolarHBondContact O-N 3.01Å; S173-S176 WeakPolarHBondContact O-CB 3.41Å; S173-S176 PolarHBondContact O-N 3.45Å; S173-S177 PolarHBondContact O-N 3.46Å
174M62.3Low60.5Low116 Ų116115.5 Ų115.557%0.57161%0.609SS**Hα-helixtrans-62.7-33.8173.8-75.9-165.4-63.600113D170 S176 S177D170-M174 WeakPolarHBondContact O-CB 3.43Å; D170-M174 WeakPolarHBondContact O-CG 3.31Å; D170-M174 PolarHBondContact O-N 3.43Å; M174-S176 VanDerWaalsContact C-N 3.31Å; M174-S176 PolarHBondContact O-N 3.04Å; M174-S177 PolarHBondContact O-N 3.4Å; M174-S177 PolarHBondContact O-OG 3.4Å
175Q56.9Low59.3Low122 Ų122120 Ų12057%0.5763%0.631SS**Hα-helixtrans-68.1-34178.4-168.657.583.700111.7I171 I172 S173 S177 Y178I171-Q175 WeakPolarHBondContact O-CB 3.38Å; I171-Q175 PolarHBondContact O-N 3.46Å; I172-Q175 PolarHBondContact O-N 3.06Å; S173-Q175 VanDerWaalsContact C-N 3.29Å; S173-Q175 PolarHBondContact O-N 3.01Å; Q175-S177 PolarHBondContact O-N 2.97Å; Q175-Y178 PolarHBondContact O-N 3.25Å
176S54.8Low57.9Low94 Ų94120 Ų12066%0.65764%0.635SS**Hα-helixtrans-66.6-19.7174.1-167.90000114I172 S173 M174I172-S176 PolarHBondContact O-N 3.03Å; S173-S176 WeakPolarHBondContact O-CB 3.41Å; S173-S176 PolarHBondContact O-N 3.45Å; M174-S176 VanDerWaalsContact C-N 3.31Å; M174-S176 PolarHBondContact O-N 3.04Å
177S50.2Low56.7Low73 Ų73119.5 Ų119.551%0.5164%0.643SS.*THydrogen-bonded Turntrans-86.2-7.3176.773.30000114S173 M174 Q175S173-S177 PolarHBondContact O-N 3.46Å; M174-S177 PolarHBondContact O-N 3.4Å; M174-S177 PolarHBondContact O-OG 3.4Å; Q175-S177 PolarHBondContact O-N 2.97Å
178Y51.1Low54.8Low159 Ų159121.1 Ų121.162%0.62465%0.653SS**THydrogen-bonded Turntrans-98.2-25.4-177.5-107.1-85.2000114.2Q175Q175-Y178 PolarHBondContact O-N 3.25Å
179D46.9Very low53.6Low139 Ų139125.3 Ų125.374%0.74367%0.671SS**THydrogen-bonded Turntrans-72.5-33.3-176-126.927.3000112.3V181D179-V181 PolarHBondContact O-N 3.49Å
180D46.5Very low52Low154 Ų154127.6 Ų127.682%0.82468%0.68SS**THydrogen-bonded Turntrans-80.2-13.8-176.7-157.339.6000113.8
181V48.6Very low50.4Low104 Ų104127.3 Ų127.363%0.6368%0.683SS**THydrogen-bonded Turntrans-91.4-17.2-178.5-174.80000112.2D179 G183D179-V181 PolarHBondContact O-N 3.49Å; V181-G183 VanDerWaalsContact C-N 3.26Å; V181-G183 PolarHBondContact O-N 3.04Å
182Q48.6Very low48.6Very low163 Ų163130.5 Ų130.576%0.76270%0.702SS**THydrogen-bonded Turntrans-78.5-6.3-175.3-150.868.916.200113.6
183G44.9Very low47.4Very low64 Ų64131.7 Ų131.766%0.6671%0.714SS**THydrogen-bonded Turntrans-92.4-16-171.600000117.3V181V181-G183 VanDerWaalsContact C-N 3.26Å; V181-G183 PolarHBondContact O-N 3.04Å
184Y49.1Very low45.9Very low209 Ų209135.2 Ų135.282%0.8273%0.726SS**  trans-143.796.9-173.7-101.7-92.4000112.5
185M38.9Very low44.9Very low182 Ų182135.5 Ų135.590%0.89774%0.737SS**  trans-148.799.3160.1-89.4-63.4106.800110.4
186D35.1Very low44Very low133 Ų133137.9 Ų137.971%0.71175%0.752SS**  trans-80.5141.4167.5-171.860.3000109.4V188D186-V188 VanDerWaalsContact C-N 3.33Å; D186-V188 PolarHBondContact O-N 3.39Å
187P46.2Very low43.5Very low122 Ų122139.1 Ų139.179%0.79276%0.761SS**  trans-83.769-163.233.9-35.8000113.4Q189P187-Q189 PolarHBondContact O-N 2.88Å
188V36.8Very low42.9Very low116 Ų116141 Ų14170%0.70377%0.774SS**  trans-80.7107.1177.6-174.40000111.8D186D186-V188 VanDerWaalsContact C-N 3.33Å; D186-V188 PolarHBondContact O-N 3.39Å
189Q44Very low42.6Very low181 Ų181138.8 Ų138.885%0.84678%0.782SS**  trans-32.6123.9167.7178178.886.400115.6P187P187-Q189 PolarHBondContact O-N 2.88Å
190M38.3Very low42.9Very low162 Ų162140.1 Ų140.180%0.79878%0.783SS**  trans-120.1134.5169-82.8-69.1-72.700111.5
191P43Very low43.1Very low102 Ų102139.8 Ų139.866%0.66278%0.781SS**  trans-85.2118.5-175.731.9-33.3000112.8T193P191-T193 PolarHBondContact O-N 3.47Å
192N36.2Very low43Very low162 Ų162142.7 Ų142.787%0.86679%0.793SS**  trans-80.897.6172.3-79.4-52.8000111.5L194N192-L194 PolarHBondContact O-N 2.9Å
193T43.9Very low43.1Very low130 Ų130140.1 Ų140.180%0.79879%0.788SS**  trans-87.394.517056.30000111P191P191-T193 PolarHBondContact O-N 3.47Å
194L42.2Very low43.2Very low152 Ų152147.8 Ų147.880%0.79680%0.798SS**  trans-104.8135.9164.2-71.6175.4000109.7N192 L196N192-L194 PolarHBondContact O-N 2.9Å; L194-L196 PolarHBondContact O-N 2.83Å
195P40.3Very low42.9Very low123 Ų123144.8 Ų144.880%0.79980%0.802SS**PPolyproline II helixtrans-69.6129.6179.928.5-33.6000110.5
196L38.8Very low43Very low172 Ų172138.8 Ų138.890%0.90179%0.787SS**PPolyproline II helixtrans-66.7140.7171.4-68.7171.9000110L194 S198L194-L196 PolarHBondContact O-N 2.83Å; L196-S198 PolarHBondContact O-N 2.73Å
197S43.1Very low43.6Very low120 Ų120139.4 Ų139.484%0.83980%0.798SS**PPolyproline II helixtrans-64.2117.7178.5-171.30000110.7S199S197-S199 PolarHBondContact O-N 2.72Å; S197-S199 VanDerWaalsContact O-N 3.1Å
198S37.5Very low43.7Very low112 Ų112136.5 Ų136.578%0.78379%0.79SS**  trans-73.799.1175.5-174.20000110L196 H200L196-S198 PolarHBondContact O-N 2.73Å; S198-H200 PolarHBondContact O-N 2.92Å
199S45.5Very low44.1Very low112 Ų112139 Ų13978%0.78380%0.796SS**  trans-73.191.6175.4-178.20000110.3S197 L201S197-S199 PolarHBondContact O-N 2.72Å; S197-S199 VanDerWaalsContact O-N 3.1Å; S199-L201 PolarHBondContact O-N 3.23Å
200H52.9Low44.2Very low168 Ų168139 Ų13978%0.77879%0.793SS**  trans-64.394.5178.8173.6-69.3000112S198S198-H200 PolarHBondContact O-N 2.92Å
201L51.6Low44.3Very low147 Ų147137.3 Ų137.377%0.7779%0.792SS**  trans-158.456.3166.9-138.4169.8000112.9S199S199-L201 PolarHBondContact O-N 3.23Å
202D46Very low44.5Very low165 Ų165138 Ų13888%0.88280%0.796SS**  trans-133.362.9178.7-118.5-31.6000111.9
203V51.5Low45.2Very low109 Ų109136.5 Ų136.566%0.66179%0.793SS**SBendtrans-139.9133.2167.6-1710000108.1
204Y46.5Very low45.3Very low225 Ų225137.8 Ų137.888%0.88279%0.794SS**  trans69.980.8-170.5-65.3-79.5000116.5
205T42.4Very low45.4Very low145 Ų145133.6 Ų133.689%0.8979%0.787SS**  trans-135.8115138.9-72.70000108.6
206G42Very low45.6Very low57 Ų57136.2 Ų136.259%0.58879%0.791SS**  trans-79.4165.7178.800000112.8G208G206-G208 PolarHBondContact O-N 2.96Å; G206-G208 VanDerWaalsContact O-N 3.14Å
207P46.6Very low45.8Very low146 Ų146133.8 Ų133.895%0.94878%0.783SS**SBendtrans-71111.2-174.528.3-34.5000112.3
208G48.3Very low45.6Very low60 Ų60132.3 Ų132.362%0.61977%0.773SS**  trans10691.2157.900000116.3G206G206-G208 PolarHBondContact O-N 2.96Å; G206-G208 VanDerWaalsContact O-N 3.14Å
209M45.4Very low46.4Very low168 Ų168134.6 Ų134.683%0.82878%0.776SS**  trans-148.1175.6130.7-102.8-45.5105.700111.2
210K47.1Very low46.8Very low182 Ų182133.8 Ų133.879%0.79177%0.77SS**  trans-91.2149.8-159.9-58.3166.7-171.1173.50112.2P212K210-P212 WeakPolarHBondContact O-CD 3.44Å
211V39.9Very low46.5Very low126 Ų126131.4 Ų131.476%0.76477%0.771SS**  trans-55.1138176.91740000112.4T213V211-T213 HydrophobicContact CG1-CG2 4.19Å
212P46.7Very low46.4Very low116 Ų116130.3 Ų130.375%0.75377%0.773SS**  trans-115.3136.9133.7-424.6000111.3K210K210-P212 WeakPolarHBondContact O-CD 3.44Å
213T50.4Low46.5Very low132 Ų132127.2 Ų127.281%0.8177%0.77SS**  trans-74.6121.6175.347.60000111.4V211V211-T213 HydrophobicContact CG1-CG2 4.19Å
214I46.4Very low46.1Very low157 Ų157127.9 Ų127.981%0.80577%0.77SS**  trans-123.4129.9161.8-61.1-178.7000107.4M216I214-M216 PolarHBondContact O-N 3.19Å
215G44.5Very low46.3Very low63 Ų63125.1 Ų125.165%0.64977%0.77SS**  trans-71.6125.8-168.800000113.1T217G215-T217 PolarHBondContact O-N 2.9Å
216M43.9Very low46.4Very low179 Ų179122.4 Ų122.488%0.88275%0.753SS**  trans-75.672.8167.9-64.6-174.776.200110.3I214 S218I214-M216 PolarHBondContact O-N 3.19Å; M216-S218 VanDerWaalsContact C-N 3.29Å; M216-S218 PolarHBondContact O-N 3.26Å
217T44.4Very low46.7Very low120 Ų120126.4 Ų126.474%0.73676%0.76SS**  trans-72.986.9168.652.50000109.4G215 N219G215-T217 PolarHBondContact O-N 2.9Å; T217-N219 PolarHBondContact O-N 3.22Å
218S37.5Very low46.6Very low89 Ų89128 Ų12862%0.62275%0.751SS**  trans-62114.6172.5-63.30000110.1M216 S220M216-S218 VanDerWaalsContact C-N 3.29Å; M216-S218 PolarHBondContact O-N 3.26Å; S218-S220 PolarHBondContact O-N 3.33Å; S218-S220 PolarHBondContact O-OG 3.15Å
219N54.9Low46.8Very low160 Ų160134.1 Ų134.186%0.85676%0.756SS**  trans-74.334.3174.3-72.8-4.6000112.8T217 C221T217-N219 PolarHBondContact O-N 3.22Å; N219-C221 PolarHBondContact O-N 3.39Å
220S53.2Low47Very low95 Ų95132 Ų13266%0.66474%0.744SS**  trans-63128.1162.748.40000108.7S218S218-S220 PolarHBondContact O-N 3.33Å; S218-S220 PolarHBondContact O-OG 3.15Å
221C47Very low47.3Very low118 Ų118128.6 Ų128.680%0.79773%0.734SS**  trans-37.4131.3-169.9-55.40000113.9N219 A223N219-C221 PolarHBondContact O-N 3.39Å; C221-A223 PolarHBondContact O-N 3.2Å
222P49.1Very low48.7Very low125 Ų125125.4 Ų125.481%0.81272%0.717SS**  trans-58.8126.3179.625.1-33.8000109.7N224P222-N224 PolarHBondContact O-N 2.92Å
223A48.4Very low50Low99 Ų99125.5 Ų125.582%0.81871%0.711SS**  trans-72.367.4-178.700000111.2C221 L225C221-A223 PolarHBondContact O-N 3.2Å; A223-L225 PolarHBondContact O-N 2.94Å
224N42.7Very low51.4Low124 Ų124123.8 Ų123.866%0.66370%0.701SS**  trans-70.498.2171.1-172-21.3000108.1P222 T226P222-N224 PolarHBondContact O-N 2.92Å; N224-T226 VanDerWaalsContact CG-OG1 3.22Å; N224-T226 PolarHBondContact ND2-OG1 3.4Å; N224-T226 PolarHBondContact O-N 3.48Å; N224-T226 PolarHBondContact OD1-N 3.31Å; N224-T226 VanDerWaalsContact OD1-N 3.13Å; N224-T226 PolarHBondContact OD1-OG1 2.87Å
225L51.4Low53.2Low166 Ų166120.3 Ų120.387%0.86968%0.681SS**  trans-68.960.6167-69.2171.7000109.8A223 I227A223-L225 PolarHBondContact O-N 2.94Å; L225-I227 VanDerWaalsContact C-N 3.32Å; L225-I227 PolarHBondContact O-N 2.95Å
226T45Very low55.1Low88 Ų88119.5 Ų119.554%0.5467%0.668SS.*  trans-65.6100.4166.3-64.30000106.5N224N224-T226 VanDerWaalsContact CG-OG1 3.22Å; N224-T226 PolarHBondContact ND2-OG1 3.4Å; N224-T226 PolarHBondContact O-N 3.48Å; N224-T226 PolarHBondContact OD1-N 3.31Å; N224-T226 VanDerWaalsContact OD1-N 3.13Å; N224-T226 PolarHBondContact OD1-OG1 2.87Å
227I46.9Very low57.2Low142 Ų142118.1 Ų118.173%0.72865%0.653SS**  trans26.5127143.4-57.4161000114.7L225 R229L225-I227 VanDerWaalsContact C-N 3.32Å; L225-I227 PolarHBondContact O-N 2.95Å; I227-R229 PolarHBondContact O-N 2.97Å
228K45.6Very low59.3Low178 Ų178115.1 Ų115.177%0.77464%0.64SS**  trans-56.972.9161.5-81.3175147.7-100.20112E230K228-E230 IonicContact NZ-OE1 2.74Å; K228-E230 PolarHBondContact NZ-OE1 3.43Å; K228-E230 PolarHBondContact O-N 3.36Å
229R53.4Low61.8Low190 Ų190115.4 Ų115.472%0.71764%0.635SS**  trans-75.689146.8176.8173.8-73.8120.2-2.4103.8I227 L231I227-R229 PolarHBondContact O-N 2.97Å; R229-L231 PolarHBondContact O-N 3.46Å
230E49.3Very low63.4Low123 Ų123110.7 Ų110.758%0.57562%0.618SS**  trans-48.2109.1163.7-56.6-70146.200105.9K228 S232K228-E230 IonicContact NZ-OE1 2.74Å; K228-E230 PolarHBondContact NZ-OE1 3.43Å; K228-E230 PolarHBondContact O-N 3.36Å; E230-S232 PolarHBondContact O-N 2.86Å
231L53.3Low65.4Low110 Ų110113.1 Ų113.158%0.57662%0.616SS**  trans-60.9107.8173.8-93.3163000105.2R229 E235R229-L231 PolarHBondContact O-N 3.46Å; L231-E235 HydrophobicContact CD2-CB 4.1Å
232S68.8Low67.6Low59 Ų59113.8 Ų113.841%0.41361%0.608SS.*  trans-60.4147.7-165.9-650000108.8E230 T234 E235 A236E230-S232 PolarHBondContact O-N 2.86Å; S232-T234 VanDerWaalsContact CB-OG1 3.31Å; S232-T234 WeakPolarHBondContact CB-OG1 3.38Å; S232-T234 CarbonylContact O-C 3.39Å; S232-T234 PolarHBondContact O-N 2.79Å; S232-E235 PolarHBondContact N-OE2 3.23Å; S232-E235 WeakPolarHBondContact O-CA 3.4Å; S232-E235 WeakPolarHBondContact O-CB 3.44Å; S232-E235 PolarHBondContact O-N 3.03Å; S232-A236 PolarHBondContact O-N 2.69Å
233D73.6Confident69.9Low118 Ų118116 Ų11663%0.63160%0.6SS**Hα-helixtrans-55.3-24.8-178.4-64.8-47.1000112.3R237D233-R237 WeakPolarHBondContact O-CB 3.36Å; D233-R237 WeakPolarHBondContact O-CG 3.31Å; D233-R237 PolarHBondContact O-N 3.37Å; D233-R237 PolarHBondContact O-NE 3.11Å
234T79.9Confident72.2Confident96 Ų96117.7 Ų117.759%0.58959%0.591SS**Hα-helixtrans-63.8-47.1168.845.40000113.3S232 A238S232-T234 VanDerWaalsContact CB-OG1 3.31Å; S232-T234 WeakPolarHBondContact CB-OG1 3.38Å; S232-T234 CarbonylContact O-C 3.39Å; S232-T234 PolarHBondContact O-N 2.79Å; T234-A238 WeakPolarHBondContact O-CB 3.25Å; T234-A238 PolarHBondContact O-N 3.19Å
235E83.8Confident74.8Confident84 Ų84119.7 Ų119.739%0.39359%0.594SS.*Hα-helixtrans-67.2-44.6175.7-60.4177.312000111.3L231 S232 R237 A238 L239L231-E235 HydrophobicContact CD2-CB 4.1Å; S232-E235 PolarHBondContact N-OE2 3.23Å; S232-E235 WeakPolarHBondContact O-CA 3.4Å; S232-E235 WeakPolarHBondContact O-CB 3.44Å; S232-E235 PolarHBondContact O-N 3.03Å; E235-R237 PolarHBondContact O-N 2.96Å; E235-A238 WeakPolarHBondContact O-CB 2.91Å; E235-A238 PolarHBondContact O-N 3.08Å; E235-A238 VanDerWaalsContact O-N 3.13Å; E235-L239 WeakPolarHBondContact O-CG 3.42Å; E235-L239 PolarHBondContact O-N 2.93Å
236A85.5Confident76.9Confident46 Ų46118.5 Ų118.538%0.3858%0.582SS.*Hα-helixtrans-60.2-45.4175.200000111.8S232 A238 L239 A240S232-A236 PolarHBondContact O-N 2.69Å; A236-A238 VanDerWaalsContact C-N 3.32Å; A236-A238 PolarHBondContact O-N 2.86Å; A236-L239 PolarHBondContact O-N 3.37Å; A236-A240 WeakPolarHBondContact O-CB 3.49Å; A236-A240 PolarHBondContact O-N 3.11Å
237R87.9Confident79.4Confident151 Ų151117.4 Ų117.457%0.5757%0.572SS**Hα-helixtrans-68.4-27.1174.5-73.3176.1-73.7-162.4-2.3112.9D233 E235 K241D233-R237 WeakPolarHBondContact O-CB 3.36Å; D233-R237 WeakPolarHBondContact O-CG 3.31Å; D233-R237 PolarHBondContact O-N 3.37Å; D233-R237 PolarHBondContact O-NE 3.11Å; E235-R237 PolarHBondContact O-N 2.96Å; R237-K241 WeakPolarHBondContact O-CG 3.18Å; R237-K241 PolarHBondContact O-N 2.87Å
238A87.8Confident81.9Confident56 Ų56115 Ų11546%0.46356%0.561SS.*Hα-helixtrans-70.4-47.4172.900000111.7T234 E235 A236 A240 K241 E242T234-A238 WeakPolarHBondContact O-CB 3.25Å; T234-A238 PolarHBondContact O-N 3.19Å; E235-A238 WeakPolarHBondContact O-CB 2.91Å; E235-A238 PolarHBondContact O-N 3.08Å; E235-A238 VanDerWaalsContact O-N 3.13Å; A236-A238 VanDerWaalsContact C-N 3.32Å; A236-A238 PolarHBondContact O-N 2.86Å; A238-A240 VanDerWaalsContact C-N 3.33Å; A238-A240 PolarHBondContact O-N 3.24Å; A238-K241 PolarHBondContact O-N 3.41Å; A238-E242 PolarHBondContact O-N 3.47Å
239L90.3Very high84.4Confident96 Ų96112.4 Ų112.450%0.50355%0.551SS.*Hα-helixtrans-61.5-39.1175.8-71173.1000112.1E235 A236 E242 R243E235-L239 WeakPolarHBondContact O-CG 3.42Å; E235-L239 PolarHBondContact O-N 2.93Å; A236-L239 PolarHBondContact O-N 3.37Å; L239-E242 PolarHBondContact O-N 3Å; L239-R243 PolarHBondContact O-N 3.5Å
240A89.1Confident86.5Confident60 Ų60106.7 Ų106.750%0.49654%0.535SS..Hα-helixtrans-61-44.2173.200000112.2A236 A238 R243 Q244A236-A240 WeakPolarHBondContact O-CB 3.49Å; A236-A240 PolarHBondContact O-N 3.11Å; A238-A240 VanDerWaalsContact C-N 3.33Å; A238-A240 PolarHBondContact O-N 3.24Å; A240-R243 PolarHBondContact O-N 3.47Å; A240-Q244 PolarHBondContact O-N 3.28Å
241K94.5Very high88.9Confident147 Ų147105.6 Ų105.664%0.63953%0.532SS*.Hα-helixtrans-66.5-35.8175.4-74.8176.4179.3-175.90112.7R237 A238 Q244 K245R237-K241 WeakPolarHBondContact O-CG 3.18Å; R237-K241 PolarHBondContact O-N 2.87Å; A238-K241 PolarHBondContact O-N 3.41Å; K241-Q244 PolarHBondContact O-N 3.27Å; K241-K245 WeakPolarHBondContact O-CB 3.42Å; K241-K245 PolarHBondContact O-N 3.16Å
242E94.1Very high91Very high132 Ų132105.1 Ų105.162%0.61753%0.53SS*.Hα-helixtrans-65.2-43173.6-178.5165.2-131.900111.7A238 L239 K245 K246A238-E242 PolarHBondContact O-N 3.47Å; L239-E242 PolarHBondContact O-N 3Å; E242-K245 PolarHBondContact O-N 3.45Å; E242-K246 WeakPolarHBondContact O-CB 3.42Å; E242-K246 PolarHBondContact O-N 3.47Å
243R96.8Very high92.4Very high170 Ų170104.3 Ų104.364%0.64252%0.519SS*.Hα-helixtrans-60-48173-165.6-168.6-169.7-84.721111.2L239 A240 K245 K246 D247L239-R243 PolarHBondContact O-N 3.5Å; A240-R243 PolarHBondContact O-N 3.47Å; R243-K245 VanDerWaalsContact C-N 3.32Å; R243-K245 PolarHBondContact O-N 3.21Å; R243-K246 WeakPolarHBondContact O-CB 3.48Å; R243-K246 PolarHBondContact O-N 2.97Å; R243-K246 VanDerWaalsContact O-N 3.13Å; R243-D247 IonicContact CZ-OD2 2.67Å; R243-D247 IonicContact NH1-OD2 2.91Å; R243-D247 PolarHBondContact NH1-OD2 2.9Å; R243-D247 PolarHBondContact O-N 3.41Å
244Q96.5Very high93.6Very high136 Ų136105.4 Ų105.464%0.63651%0.514SS*.Hα-helixtrans-58.5-42176.7-169.4-17520.400112A240 K241 D247 N248A240-Q244 PolarHBondContact O-N 3.28Å; K241-Q244 PolarHBondContact O-N 3.27Å; Q244-D247 PolarHBondContact O-N 2.85Å; Q244-N248 VanDerWaalsContact O-CB 3.27Å; Q244-N248 WeakPolarHBondContact O-CB 3.5Å; Q244-N248 PolarHBondContact O-N 2.67Å
245K96.8Very high94.5Very high166 Ų166110.6 Ų110.672%0.72252%0.523SS*.Hα-helixtrans-63.3-41.5175.1-177.9-179177.6-175.30112K241 E242 R243 H249K241-K245 WeakPolarHBondContact O-CB 3.42Å; K241-K245 PolarHBondContact O-N 3.16Å; E242-K245 PolarHBondContact O-N 3.45Å; R243-K245 VanDerWaalsContact C-N 3.32Å; R243-K245 PolarHBondContact O-N 3.21Å; K245-H249 WeakPolarHBondContact O-CB 3.5Å; K245-H249 PolarHBondContact O-N 3.28Å
246K97Very high95.2Very high141 Ų141113.3 Ų113.361%0.61353%0.53SS*.Hα-helixtrans-64-43.8174.8-175.4-178.9178.7178.10111.6E242 R243 H249 N250E242-K246 WeakPolarHBondContact O-CB 3.42Å; E242-K246 PolarHBondContact O-N 3.47Å; R243-K246 WeakPolarHBondContact O-CB 3.48Å; R243-K246 PolarHBondContact O-N 2.97Å; R243-K246 VanDerWaalsContact O-N 3.13Å; K246-H249 PolarHBondContact O-N 2.94Å; K246-N250 WeakPolarHBondContact O-CB 3.41Å; K246-N250 PolarHBondContact O-N 3.13Å; K246-N250 PolarHBondContact O-ND2 3.3Å; K246-N250 VanDerWaalsContact O-ND2 3.15Å
247D97.3Very high95.8Very high65 Ų65118.2 Ų118.235%0.34854%0.539SS..Hα-helixtrans-70.5-36.7-179.7-67-31.3000112.2R243 Q244 N250 L251R243-D247 IonicContact CZ-OD2 2.67Å; R243-D247 IonicContact NH1-OD2 2.91Å; R243-D247 PolarHBondContact NH1-OD2 2.9Å; R243-D247 PolarHBondContact O-N 3.41Å; Q244-D247 PolarHBondContact O-N 2.85Å; D247-N250 WeakPolarHBondContact O-CB 3.37Å; D247-N250 PolarHBondContact O-N 2.91Å; D247-L251 WeakPolarHBondContact O-CB 3.31Å; D247-L251 PolarHBondContact O-N 3.44Å
248N98.1Very high96.3Very high92 Ų92116.5 Ų116.549%0.49254%0.536SS..Hα-helixtrans-63.3-45.3170.2-178.5-91.4000112Q244 N250 L251 I252Q244-N248 VanDerWaalsContact O-CB 3.27Å; Q244-N248 WeakPolarHBondContact O-CB 3.5Å; Q244-N248 PolarHBondContact O-N 2.67Å; N248-N250 PolarHBondContact O-N 3.37Å; N248-L251 WeakPolarHBondContact O-CB 3.48Å; N248-L251 PolarHBondContact O-N 2.94Å; N248-I252 WeakPolarHBondContact O-CG1 3.46Å; N248-I252 PolarHBondContact O-N 3.32Å; N248-I252 VanDerWaalsContact OD1-CD1 3.31Å; N248-I252 WeakPolarHBondContact OD1-CD1 3.46Å
249H98.3Very high96.9Very high122 Ų122118.4 Ų118.457%0.56554%0.538SS*.Hα-helixtrans-59.9-44.7173.5175.974.5000112K245 K246 L251 I252 E253K245-H249 WeakPolarHBondContact O-CB 3.5Å; K245-H249 PolarHBondContact O-N 3.28Å; K246-H249 PolarHBondContact O-N 2.94Å; H249-L251 VanDerWaalsContact C-N 3.3Å; H249-L251 PolarHBondContact O-N 3.36Å; H249-I252 PolarHBondContact O-N 3.04Å; H249-E253 PolarHBondContact O-N 3.02Å
250N98.4Very high97.3Very high70 Ų70117.2 Ų117.237%0.37453%0.532SS..Hα-helixtrans-59-39.8175-73.1-31.7000112K246 D247 N248 R254K246-N250 WeakPolarHBondContact O-CB 3.41Å; K246-N250 PolarHBondContact O-N 3.13Å; K246-N250 PolarHBondContact O-ND2 3.3Å; K246-N250 VanDerWaalsContact O-ND2 3.15Å; D247-N250 WeakPolarHBondContact O-CB 3.37Å; D247-N250 PolarHBondContact O-N 2.91Å; N248-N250 PolarHBondContact O-N 3.37Å; N250-R254 WeakPolarHBondContact O-CB 3.42Å; N250-R254 PolarHBondContact O-N 2.9Å
251L98.3Very high97.7Very high100 Ų100116.5 Ų116.552%0.52452%0.519SS..Hα-helixtrans-67.4-44.5177.3-179.361.4000112D247 N248 H249 R254 R255D247-L251 WeakPolarHBondContact O-CB 3.31Å; D247-L251 PolarHBondContact O-N 3.44Å; N248-L251 WeakPolarHBondContact O-CB 3.48Å; N248-L251 PolarHBondContact O-N 2.94Å; H249-L251 VanDerWaalsContact C-N 3.3Å; H249-L251 PolarHBondContact O-N 3.36Å; L251-R254 PolarHBondContact O-N 2.95Å; L251-R255 PolarHBondContact O-N 3.5Å
252I98.3Very high97.9Very high101 Ų101112.7 Ų112.752%0.51851%0.506SS..Hα-helixtrans-62.6-48.7177.5-69.1165000110.7N248 H249 R254 R255 R256N248-I252 WeakPolarHBondContact O-CG1 3.46Å; N248-I252 PolarHBondContact O-N 3.32Å; N248-I252 VanDerWaalsContact OD1-CD1 3.31Å; N248-I252 WeakPolarHBondContact OD1-CD1 3.46Å; H249-I252 PolarHBondContact O-N 3.04Å; I252-R254 VanDerWaalsContact C-N 3.31Å; I252-R254 PolarHBondContact O-N 2.78Å; I252-R255 PolarHBondContact O-N 2.96Å; I252-R256 WeakPolarHBondContact O-CB 3.37Å; I252-R256 PolarHBondContact O-N 3.39Å
253E98.6Very high98.1Very high41 Ų41113 Ų11319%0.19250%0.501CS..Hα-helixtrans-66.3-33.2177.9171.660.2177.200111.8H249 R256 R257H249-E253 PolarHBondContact O-N 3.02Å; E253-R256 PolarHBondContact O-N 2.92Å; E253-R256 IonicContact OE1-NH1 2.61Å; E253-R256 PolarHBondContact OE1-NH1 3.05Å; E253-R256 WeakPolarHBondContact OE2-CD 3.39Å; E253-R256 IonicContact OE2-CZ 3.16Å; E253-R256 IonicContact OE2-NE 2.67Å; E253-R256 IonicContact OE2-NH1 2.71Å; E253-R256 PolarHBondContact OE2-NH1 3.15Å; E253-R257 WeakPolarHBondContact O-CB 3.45Å; E253-R257 VanDerWaalsContact O-CG 3.25Å; E253-R257 WeakPolarHBondContact O-CG 3.19Å; E253-R257 PolarHBondContact O-N 3.42Å; E253-R257 IonicContact OE1-CZ 2.68Å; E253-R257 IonicContact OE1-NE 3.18Å; E253-R257 PolarHBondContact OE1-NE 2.99Å; E253-R257 IonicContact OE1-NH2 2.72Å; E253-R257 PolarHBondContact OE1-NH2 3.43Å
254R98.8Very high98.2Very high141 Ų141106 Ų10653%0.53248%0.476SS..Hα-helixtrans-63.7-45.7171.1-174.9-176-66.9139.8-2.4111.6N250 L251 I252 R256 R257 F258N250-R254 WeakPolarHBondContact O-CB 3.42Å; N250-R254 PolarHBondContact O-N 2.9Å; L251-R254 PolarHBondContact O-N 2.95Å; I252-R254 VanDerWaalsContact C-N 3.31Å; I252-R254 PolarHBondContact O-N 2.78Å; R254-R256 PolarHBondContact O-N 2.99Å; R254-R257 PolarHBondContact O-N 2.75Å; R254-F258 HydrophobicContact CG-CD2 3.96Å; R254-F258 HydrophobicContact CG-CE2 3.49Å; R254-F258 VanDerWaalsContact CG-CE2 3.49Å; R254-F258 HydrophobicContact CG-CZ 4.14Å; R254-F258 VanDerWaalsContact O-CD2 3.31Å; R254-F258 WeakPolarHBondContact O-CD2 3.43Å; R254-F258 PolarHBondContact O-N 3.44Å
255R98.6Very high98.2Very high205 Ų205105.8 Ų105.877%0.77447%0.473SS*.Hα-helixtrans-60.7-43.3175.8-171.8177.7-177.3178.62111.4L251 I252 F258 N259L251-R255 PolarHBondContact O-N 3.5Å; I252-R255 PolarHBondContact O-N 2.96Å; R255-F258 PolarHBondContact O-N 2.84Å; R255-N259 PolarHBondContact O-N 3.22Å
256R98.6Very high98.3Very high141 Ų141101.8 Ų101.853%0.53246%0.457SS..Hα-helixtrans-60.1-45.9173.6175.5174.9166.5-85.2-5.6112I252 E253 R254 N259 I260I252-R256 WeakPolarHBondContact O-CB 3.37Å; I252-R256 PolarHBondContact O-N 3.39Å; E253-R256 PolarHBondContact O-N 2.92Å; E253-R256 IonicContact OE1-NH1 2.61Å; E253-R256 PolarHBondContact OE1-NH1 3.05Å; E253-R256 WeakPolarHBondContact OE2-CD 3.39Å; E253-R256 IonicContact OE2-CZ 3.16Å; E253-R256 IonicContact OE2-NE 2.67Å; E253-R256 IonicContact OE2-NH1 2.71Å; E253-R256 PolarHBondContact OE2-NH1 3.15Å; R254-R256 PolarHBondContact O-N 2.99Å; R256-N259 PolarHBondContact O-N 3.45Å; R256-I260 HydrophobicContact CG-CD1 3.89Å; R256-I260 WeakPolarHBondContact O-CG1 3.42Å; R256-I260 PolarHBondContact O-N 3.39Å
257R98.6Very high98.3Very high149 Ų14997.7 Ų97.756%0.56244%0.442SS*.Hα-helixtrans-61.8-42.2177-75.9173.8-170.7-1759.1112.5E253 R254 N261E253-R257 WeakPolarHBondContact O-CB 3.45Å; E253-R257 VanDerWaalsContact O-CG 3.25Å; E253-R257 WeakPolarHBondContact O-CG 3.19Å; E253-R257 PolarHBondContact O-N 3.42Å; E253-R257 IonicContact OE1-CZ 2.68Å; E253-R257 IonicContact OE1-NE 3.18Å; E253-R257 PolarHBondContact OE1-NE 2.99Å; E253-R257 IonicContact OE1-NH2 2.72Å; E253-R257 PolarHBondContact OE1-NH2 3.43Å; R254-R257 PolarHBondContact O-N 2.75Å; R257-N261 WeakPolarHBondContact O-CB 3.34Å; R257-N261 PolarHBondContact O-N 3.45Å; R257-N261 PolarHBondContact O-ND2 3.06Å; R257-N261 PolarHBondContact O-OD1 3.23Å
258F98.7Very high98.2Very high116 Ų11695 Ų9551%0.50943%0.43SS..Hα-helixtrans-61.1-52.6174.5-72.2-50000111.1R254 R255 I260 N261 D262R254-F258 HydrophobicContact CG-CD2 3.96Å; R254-F258 HydrophobicContact CG-CE2 3.49Å; R254-F258 VanDerWaalsContact CG-CE2 3.49Å; R254-F258 HydrophobicContact CG-CZ 4.14Å; R254-F258 VanDerWaalsContact O-CD2 3.31Å; R254-F258 WeakPolarHBondContact O-CD2 3.43Å; R254-F258 PolarHBondContact O-N 3.44Å; R255-F258 PolarHBondContact O-N 2.84Å; F258-I260 VanDerWaalsContact C-N 3.32Å; F258-I260 PolarHBondContact O-N 3.41Å; F258-N261 CarbonylContact O-C 3.52Å; F258-N261 WeakPolarHBondContact O-CA 3.21Å; F258-N261 WeakPolarHBondContact O-CB 3.27Å; F258-N261 PolarHBondContact O-N 3.08Å; F258-D262 VanDerWaalsContact O-CG 3.25Å; F258-D262 PolarHBondContact O-N 2.9Å; F258-D262 VanDerWaalsContact O-OD2 3.05Å
259N98.5Very high98.1Very high96 Ų9695.7 Ų95.751%0.51344%0.437SS..Hα-helixtrans-55.1-43.8179.7-172.9-103.1000113.1R255 R256 D262 R263R255-N259 PolarHBondContact O-N 3.22Å; R256-N259 PolarHBondContact O-N 3.45Å; N259-D262 PolarHBondContact O-N 2.73Å; N259-R263 WeakPolarHBondContact O-CG 3.35Å; N259-R263 PolarHBondContact O-N 3.25Å
260I98.6Very high98Very high71 Ų7195.7 Ų95.736%0.36444%0.439SS..Hα-helixtrans-62.9-43.4174.3-67.3167000111.5R256 F258 D262 I264R256-I260 HydrophobicContact CG-CD1 3.89Å; R256-I260 WeakPolarHBondContact O-CG1 3.42Å; R256-I260 PolarHBondContact O-N 3.39Å; F258-I260 VanDerWaalsContact C-N 3.32Å; F258-I260 PolarHBondContact O-N 3.41Å; I260-D262 VanDerWaalsContact C-N 3.3Å; I260-D262 PolarHBondContact O-N 2.87Å; I260-I264 HydrophobicContact CG2-CD1 4.05Å; I260-I264 VanDerWaalsContact O-CG1 3.31Å; I260-I264 WeakPolarHBondContact O-CG1 3.48Å; I260-I264 PolarHBondContact O-N 3.31Å; I260-I264 VanDerWaalsContact O-N 3.14Å
261N98.6Very high97.8Very high45 Ų4593 Ų9324%0.24143%0.425CS..Hα-helixtrans-62.7-38.3177.8-66.5-27.9000111.9R257 F258 I264 K265 K283R257-N261 WeakPolarHBondContact O-CB 3.34Å; R257-N261 PolarHBondContact O-N 3.45Å; R257-N261 PolarHBondContact O-ND2 3.06Å; R257-N261 PolarHBondContact O-OD1 3.23Å; F258-N261 CarbonylContact O-C 3.52Å; F258-N261 WeakPolarHBondContact O-CA 3.21Å; F258-N261 WeakPolarHBondContact O-CB 3.27Å; F258-N261 PolarHBondContact O-N 3.08Å; N261-I264 PolarHBondContact O-N 2.99Å; N261-K265 WeakPolarHBondContact O-CG 3.37Å; N261-K265 PolarHBondContact O-N 3.28Å; N261-K283 WeakPolarHBondContact OD1-CE 3.44Å; N261-K283 PolarHBondContact OD1-NZ 2.94Å
262D98.6Very high97.5Very high67 Ų6791.3 Ų91.336%0.35842%0.42SS..Hα-helixtrans-76.2-38.6-175.6-60.9-35.2000111.7F258 N259 I260 I264 K265 E266F258-D262 VanDerWaalsContact O-CG 3.25Å; F258-D262 PolarHBondContact O-N 2.9Å; F258-D262 VanDerWaalsContact O-OD2 3.05Å; N259-D262 PolarHBondContact O-N 2.73Å; I260-D262 VanDerWaalsContact C-N 3.3Å; I260-D262 PolarHBondContact O-N 2.87Å; D262-I264 PolarHBondContact O-N 3.4Å; D262-K265 WeakPolarHBondContact O-CB 3.45Å; D262-K265 PolarHBondContact O-N 2.9Å; D262-K265 WeakPolarHBondContact OD1-CE 3.28Å; D262-K265 IonicContact OD1-NZ 2.7Å; D262-K265 PolarHBondContact OD1-NZ 3.25Å; D262-E266 WeakPolarHBondContact O-CB 3.34Å; D262-E266 PolarHBondContact O-N 3.35Å
263R98.6Very high96.8Very high138 Ų13892.4 Ų92.452%0.52142%0.421SS..Hα-helixtrans-60.6-33.2167.8-65.2-54.3-175.5-170.6-1.9112.6N259 E266 L267N259-R263 WeakPolarHBondContact O-CG 3.35Å; N259-R263 PolarHBondContact O-N 3.25Å; R263-E266 WeakPolarHBondContact CD-OE2 3.35Å; R263-E266 IonicContact CZ-OE2 3.17Å; R263-E266 IonicContact NE-OE2 2.73Å; R263-E266 IonicContact NH1-OE1 2.71Å; R263-E266 PolarHBondContact NH1-OE1 3.48Å; R263-E266 IonicContact NH1-OE2 2.73Å; R263-E266 PolarHBondContact NH1-OE2 3.22Å; R263-L267 WeakPolarHBondContact O-CG 3.39Å; R263-L267 PolarHBondContact O-N 3.05Å; R263-L267 VanDerWaalsContact O-N 3.1Å
264I98.3Very high95.5Very high22 Ų2294.7 Ų94.711%0.11344%0.437CS..Hα-helixtrans-70-38.2172.1-67166.8000111.3I260 N261 D262 G268 K283 I286 L287I260-I264 HydrophobicContact CG2-CD1 4.05Å; I260-I264 VanDerWaalsContact O-CG1 3.31Å; I260-I264 WeakPolarHBondContact O-CG1 3.48Å; I260-I264 PolarHBondContact O-N 3.31Å; I260-I264 VanDerWaalsContact O-N 3.14Å; N261-I264 PolarHBondContact O-N 2.99Å; D262-I264 PolarHBondContact O-N 3.4Å; I264-G268 PolarHBondContact O-N 2.94Å; I264-G268 VanDerWaalsContact O-N 3.07Å; I264-K283 HydrophobicContact CD1-CB 4.45Å; I264-K283 HydrophobicContact CD1-CD 4.3Å; I264-K283 HydrophobicContact CD1-CG 4.49Å; I264-K283 HydrophobicContact CG2-CB 4.22Å; I264-K283 HydrophobicContact CG2-CG 4.18Å; I264-I286 HydrophobicContact CG2-CB 4.24Å; I264-I286 HydrophobicContact CG2-CD1 3.93Å; I264-I286 HydrophobicContact CG2-CG2 4.08Å; I264-I286 WeakPolarHBondContact O-CG2 3.35Å; I264-L287 HydrophobicContact CD1-CD1 4.34Å; I264-L287 HydrophobicContact CG1-CD2 4.36Å
265K97.1Very high93.7Very high132 Ų13295.6 Ų95.657%0.57445%0.453SS*.Hα-helixtrans-63.1-43.4174.3-66.1168.9-168.8164.30112N261 D262 G268 T269N261-K265 WeakPolarHBondContact O-CG 3.37Å; N261-K265 PolarHBondContact O-N 3.28Å; D262-K265 WeakPolarHBondContact O-CB 3.45Å; D262-K265 PolarHBondContact O-N 2.9Å; D262-K265 WeakPolarHBondContact OD1-CE 3.28Å; D262-K265 IonicContact OD1-NZ 2.7Å; D262-K265 PolarHBondContact OD1-NZ 3.25Å; K265-G268 CarbonylContact O-C 3.6Å; K265-G268 VanDerWaalsContact O-CA 3.25Å; K265-G268 WeakPolarHBondContact O-CA 3.41Å; K265-G268 PolarHBondContact O-N 2.82Å; K265-T269 PolarHBondContact O-N 2.94Å; K265-T269 VanDerWaalsContact O-N 3.11Å
266E98Very high92.5Very high82 Ų8290.3 Ų90.338%0.38344%0.44SS..Hα-helixtrans-60.3-45.5178.4179.6-177.4-139.800112.1D262 R263 G268 T269 M270D262-E266 WeakPolarHBondContact O-CB 3.34Å; D262-E266 PolarHBondContact O-N 3.35Å; R263-E266 WeakPolarHBondContact CD-OE2 3.35Å; R263-E266 IonicContact CZ-OE2 3.17Å; R263-E266 IonicContact NE-OE2 2.73Å; R263-E266 IonicContact NH1-OE1 2.71Å; R263-E266 PolarHBondContact NH1-OE1 3.48Å; R263-E266 IonicContact NH1-OE2 2.73Å; R263-E266 PolarHBondContact NH1-OE2 3.22Å; E266-G268 VanDerWaalsContact C-N 3.28Å; E266-G268 PolarHBondContact O-N 3.29Å; E266-T269 WeakPolarHBondContact CA-OG1 3.18Å; E266-T269 PolarHBondContact O-N 3.42Å; E266-T269 PolarHBondContact O-OG1 2.96Å; E266-M270 PolarHBondContact O-N 3.49Å
267L97.9Very high91.1Very high55 Ų5591.8 Ų91.829%0.28846%0.457SS..Hα-helixtrans-56.6-43.4168.3-72171.3000111.3R263 T269 M270 I271 I286 L287R263-L267 WeakPolarHBondContact O-CG 3.39Å; R263-L267 PolarHBondContact O-N 3.05Å; R263-L267 VanDerWaalsContact O-N 3.1Å; L267-T269 PolarHBondContact O-N 3.26Å; L267-T269 VanDerWaalsContact O-N 3.12Å; L267-M270 HydrophobicContact CD2-CE 4.07Å; L267-M270 PolarHBondContact O-N 3.37Å; L267-M270 VanDerWaalsContact O-N 3.08Å; L267-I271 VanDerWaalsContact O-CD1 3.3Å; L267-I271 WeakPolarHBondContact O-CD1 3.44Å; L267-I271 VanDerWaalsContact O-CG1 3.24Å; L267-I271 WeakPolarHBondContact O-CG1 3.39Å; L267-I271 PolarHBondContact O-N 3.22Å; L267-I271 VanDerWaalsContact O-N 3.16Å; L267-I286 HydrophobicContact CB-CG2 3.96Å; L267-L287 HydrophobicContact CD1-CD2 4.22Å
268G95.3Very high89.9Confident9 Ų992.2 Ų92.29%0.09347%0.471CS..Hα-helixtrans-62.8-11.117500000116I264 K265 E266 K273I264-G268 PolarHBondContact O-N 2.94Å; I264-G268 VanDerWaalsContact O-N 3.07Å; K265-G268 CarbonylContact O-C 3.6Å; K265-G268 VanDerWaalsContact O-CA 3.25Å; K265-G268 WeakPolarHBondContact O-CA 3.41Å; K265-G268 PolarHBondContact O-N 2.82Å; E266-G268 VanDerWaalsContact C-N 3.28Å; E266-G268 PolarHBondContact O-N 3.29Å; G268-K273 WeakPolarHBondContact O-CE 3.33Å
269T95.2Very high89.1Confident107 Ų10789.5 Ų89.566%0.65646%0.464SS*.Hα-helixtrans-98.9-25.417044.90000113.9K265 E266 L267K265-T269 PolarHBondContact O-N 2.94Å; K265-T269 VanDerWaalsContact O-N 3.11Å; E266-T269 WeakPolarHBondContact CA-OG1 3.18Å; E266-T269 PolarHBondContact O-N 3.42Å; E266-T269 PolarHBondContact O-OG1 2.96Å; L267-T269 PolarHBondContact O-N 3.26Å; L267-T269 VanDerWaalsContact O-N 3.12Å
270M96.1Very high88.5Confident122 Ų12294.9 Ų94.960%0.60148%0.477SS*.Hα-helixtrans-86.2-17.3178.4-65.4-164.3-63.600114.4E266 L267E266-M270 PolarHBondContact O-N 3.49Å; L267-M270 HydrophobicContact CD2-CE 4.07Å; L267-M270 PolarHBondContact O-N 3.37Å; L267-M270 VanDerWaalsContact O-N 3.08Å
271I94.6Very high88.1Confident14 Ų1495.7 Ų95.77%0.07248%0.475CS..SBendtrans-75.9128.2177.6-63.3154.8000109.8L267 K273 W281 I286 A289 S290L267-I271 VanDerWaalsContact O-CD1 3.3Å; L267-I271 WeakPolarHBondContact O-CD1 3.44Å; L267-I271 VanDerWaalsContact O-CG1 3.24Å; L267-I271 WeakPolarHBondContact O-CG1 3.39Å; L267-I271 PolarHBondContact O-N 3.22Å; L267-I271 VanDerWaalsContact O-N 3.16Å; I271-K273 PolarHBondContact O-N 3.12Å; I271-K273 VanDerWaalsContact O-N 3.14Å; I271-W281 HydrophobicContact CB-CH2 4.5Å; I271-W281 HydrophobicContact CD1-CZ3 4.15Å; I271-W281 HydrophobicContact CG2-CH2 3.82Å; I271-W281 HydrophobicContact CG2-CZ3 4.19Å; I271-I286 HydrophobicContact CD1-CG2 3.89Å; I271-I286 WeakPolarHBondContact CD1-O 3.44Å; I271-A289 HydrophobicContact CD1-CB 4.15Å; I271-A289 HydrophobicContact CG2-CB 3.94Å; I271-S290 WeakPolarHBondContact CD1-OG 3.38Å
272P92.5Very high87.9Confident64 Ų6496.8 Ų96.842%0.41648%0.481SS..  trans-59.7117.4171.1-23.734.2000111T274 Y293P272-T274 PolarHBondContact O-N 2.96Å; P272-Y293 HydrophobicContact CG-CD2 4.02Å; P272-Y293 HydrophobicContact CG-CE1 4.25Å; P272-Y293 HydrophobicContact CG-CE2 3.53Å
273K83.9Confident87.8Confident124 Ų12499 Ų9954%0.53949%0.488SS..  trans-80.7112.3175.9-61.3177.5-176.6169.20108.3G268 I271 W281G268-K273 WeakPolarHBondContact O-CE 3.33Å; I271-K273 PolarHBondContact O-N 3.12Å; I271-K273 VanDerWaalsContact O-N 3.14Å; K273-W281 HydrophobicContact CB-CZ2 4.35Å; K273-W281 HydrophobicContact CG-CZ2 3.81Å
274T71.2Confident87.7Confident89 Ų8993.8 Ų93.855%0.54648%0.477SS..  trans-62.6153.1161.144.60000109P272 D276P272-T274 PolarHBondContact O-N 2.96Å; T274-D276 WeakPolarHBondContact CB-OD2 3.43Å; T274-D276 PolarHBondContact O-N 3.4Å; T274-D276 PolarHBondContact OG1-OD2 3.43Å
275N60.5Low87.6Confident159 Ų15994.3 Ų94.385%0.8548%0.481SS*.SBendtrans-75.428-175.7-72.6-47.4000113.6L277N275-L277 PolarHBondContact O-N 3.18Å
276D72.4Confident87.5Confident94 Ų9488.9 Ų88.950%0.50346%0.458SS..  trans-79.687177.2-53.2-54.3000108.6T274 D278 V279T274-D276 WeakPolarHBondContact CB-OD2 3.43Å; T274-D276 PolarHBondContact O-N 3.4Å; T274-D276 PolarHBondContact OG1-OD2 3.43Å; D276-D278 PolarHBondContact O-N 2.87Å; D276-V279 HydrophobicContact CB-CB 4.4Å; D276-V279 HydrophobicContact CB-CG2 3.52Å; D276-V279 WeakPolarHBondContact O-CB 3.32Å; D276-V279 PolarHBondContact O-N 3Å
277L70Confident87.5Confident172 Ų17288.8 Ų88.890%0.90146%0.46SS*.THydrogen-bonded Turntrans-55.4-24.2-175.1-67.9169.2000113.5N275N275-L277 PolarHBondContact O-N 3.18Å
278D73.3Confident87.4Confident159 Ų15993.8 Ų93.885%0.8548%0.475SS*.THydrogen-bonded Turntrans-82.4-8178.7-59.5-56.9000114.7D276 R280D276-D278 PolarHBondContact O-N 2.87Å; D278-R280 PolarHBondContact O-N 3.43Å
279V81.9Confident87.4Confident59 Ų5994.6 Ų94.636%0.35848%0.481SS..  trans-73.588.2-178.7176.70000110.5D276 W281D276-V279 HydrophobicContact CB-CB 4.4Å; D276-V279 HydrophobicContact CB-CG2 3.52Å; D276-V279 WeakPolarHBondContact O-CB 3.32Å; D276-V279 PolarHBondContact O-N 3Å; V279-W281 HydrophobicContact CG1-CZ2 4.2Å; V279-W281 PolarHBondContact O-N 3.46Å; V279-W281 PolarHBondContact O-NE1 2.89Å
280R86.1Confident87.5Confident208 Ų20890 Ų9079%0.78545%0.453SS*.  trans-67.494.5176.9-170.3173.566.9178.6-1111.6D278 N282 T285D278-R280 PolarHBondContact O-N 3.43Å; R280-N282 PolarHBondContact O-N 3.17Å; R280-N282 VanDerWaalsContact O-N 3.14Å; R280-N282 PolarHBondContact O-ND2 2.91Å; R280-T285 PolarHBondContact O-OG1 3.13Å
281W90.1Very high87.6Confident88 Ų8887.7 Ų87.733%0.33345%0.446SS..  trans-56.5113.1175.9-65.293.8000111.7I271 K273 V279 I286 A289I271-W281 HydrophobicContact CB-CH2 4.5Å; I271-W281 HydrophobicContact CD1-CZ3 4.15Å; I271-W281 HydrophobicContact CG2-CH2 3.82Å; I271-W281 HydrophobicContact CG2-CZ3 4.19Å; K273-W281 HydrophobicContact CB-CZ2 4.35Å; K273-W281 HydrophobicContact CG-CZ2 3.81Å; V279-W281 HydrophobicContact CG1-CZ2 4.2Å; V279-W281 PolarHBondContact O-N 3.46Å; V279-W281 PolarHBondContact O-NE1 2.89Å; W281-I286 HydrophobicContact CB-CG1 4.48Å; W281-I286 HydrophobicContact CE3-CG1 3.75Å; W281-I286 HydrophobicContact CZ3-CG1 4.49Å; W281-A289 HydrophobicContact CH2-CB 4.27Å; W281-A289 HydrophobicContact CZ3-CB 4.04Å
282N95.1Very high87.7Confident68 Ų6890.7 Ų90.736%0.36446%0.462SS..  trans-138168.3177.766.577.5000108.5R280 G284 T285 I286R280-N282 PolarHBondContact O-N 3.17Å; R280-N282 VanDerWaalsContact O-N 3.14Å; R280-N282 PolarHBondContact O-ND2 2.91Å; N282-G284 PolarHBondContact O-N 3.13Å; N282-G284 VanDerWaalsContact O-N 3.07Å; N282-G284 WeakPolarHBondContact OD1-CA 3.18Å; N282-G284 PolarHBondContact OD1-N 3.44Å; N282-T285 PolarHBondContact N-OG1 3.36Å; N282-T285 WeakPolarHBondContact ND2-CG2 3.37Å; N282-T285 PolarHBondContact ND2-OG1 3.4Å; N282-T285 PolarHBondContact O-N 2.91Å; N282-T285 VanDerWaalsContact O-N 3.08Å; N282-T285 PolarHBondContact O-OG1 3.35Å; N282-T285 PolarHBondContact OD1-N 3.37Å; N282-I286 WeakPolarHBondContact O-CB 3.49Å; N282-I286 VanDerWaalsContact O-CG1 3.29Å; N282-I286 WeakPolarHBondContact O-CG1 3.34Å; N282-I286 PolarHBondContact O-N 3.21Å
283K96.3Very high87.9Confident114 Ų11491.3 Ų91.350%0.49646%0.457SS..Hα-helixtrans-53.8-37-174.5-55.8-173-168.4179.60113.1N261 I264 L287N261-K283 WeakPolarHBondContact OD1-CE 3.44Å; N261-K283 PolarHBondContact OD1-NZ 2.94Å; I264-K283 HydrophobicContact CD1-CB 4.45Å; I264-K283 HydrophobicContact CD1-CD 4.3Å; I264-K283 HydrophobicContact CD1-CG 4.49Å; I264-K283 HydrophobicContact CG2-CB 4.22Å; I264-K283 HydrophobicContact CG2-CG 4.18Å; K283-L287 WeakPolarHBondContact O-CB 3.47Å; K283-L287 WeakPolarHBondContact O-CD1 3.43Å; K283-L287 WeakPolarHBondContact O-CG 3.33Å; K283-L287 PolarHBondContact O-N 3.41Å; K283-L287 VanDerWaalsContact O-N 3.15Å
284G96.7Very high88.6Confident28 Ų2889.2 Ų89.229%0.28945%0.45SS..Hα-helixtrans-73.4-40.4178.600000113.9N282 R288N282-G284 PolarHBondContact O-N 3.13Å; N282-G284 VanDerWaalsContact O-N 3.07Å; N282-G284 WeakPolarHBondContact OD1-CA 3.18Å; N282-G284 PolarHBondContact OD1-N 3.44Å; G284-R288 WeakPolarHBondContact O-CG 3.41Å; G284-R288 PolarHBondContact O-N 3.47Å; G284-R288 VanDerWaalsContact O-N 3.13Å
285T94.9Very high89.9Confident34 Ų3490.5 Ų90.521%0.20945%0.448CS..Hα-helixtrans-73.9-38.117750.10000112.3R280 N282 R288 A289R280-T285 PolarHBondContact O-OG1 3.13Å; N282-T285 PolarHBondContact N-OG1 3.36Å; N282-T285 WeakPolarHBondContact ND2-CG2 3.37Å; N282-T285 PolarHBondContact ND2-OG1 3.4Å; N282-T285 PolarHBondContact O-N 2.91Å; N282-T285 VanDerWaalsContact O-N 3.08Å; N282-T285 PolarHBondContact O-OG1 3.35Å; N282-T285 PolarHBondContact OD1-N 3.37Å; T285-R288 PolarHBondContact O-N 2.97Å; T285-A289 VanDerWaalsContact O-CB 3.32Å; T285-A289 WeakPolarHBondContact O-CB 3.4Å; T285-A289 PolarHBondContact O-N 3.48Å
286I95.9Very high91.6Very high17 Ų1789.4 Ų89.49%0.08743%0.432CS..Hα-helixtrans-58.1-50.5172.3-64.7163.3000110.4I264 L267 I271 W281 N282 R288 A289 S290I264-I286 HydrophobicContact CG2-CB 4.24Å; I264-I286 HydrophobicContact CG2-CD1 3.93Å; I264-I286 HydrophobicContact CG2-CG2 4.08Å; I264-I286 WeakPolarHBondContact O-CG2 3.35Å; L267-I286 HydrophobicContact CB-CG2 3.96Å; I271-I286 HydrophobicContact CD1-CG2 3.89Å; I271-I286 WeakPolarHBondContact CD1-O 3.44Å; W281-I286 HydrophobicContact CB-CG1 4.48Å; W281-I286 HydrophobicContact CE3-CG1 3.75Å; W281-I286 HydrophobicContact CZ3-CG1 4.49Å; N282-I286 WeakPolarHBondContact O-CB 3.49Å; N282-I286 VanDerWaalsContact O-CG1 3.29Å; N282-I286 WeakPolarHBondContact O-CG1 3.34Å; N282-I286 PolarHBondContact O-N 3.21Å; I286-R288 PolarHBondContact O-N 3.14Å; I286-A289 PolarHBondContact O-N 3.15Å; I286-S290 WeakPolarHBondContact O-CB 3.47Å; I286-S290 PolarHBondContact O-N 3.02Å; I286-S290 PolarHBondContact O-OG 3.49Å
287L97.9Very high92.9Very high81 Ų8189.2 Ų89.242%0.42443%0.43SS..Hα-helixtrans-65.5-39.1-177.8-73.1171000112.7I264 L267 K283 S290 V291I264-L287 HydrophobicContact CD1-CD1 4.34Å; I264-L287 HydrophobicContact CG1-CD2 4.36Å; L267-L287 HydrophobicContact CD1-CD2 4.22Å; K283-L287 WeakPolarHBondContact O-CB 3.47Å; K283-L287 WeakPolarHBondContact O-CD1 3.43Å; K283-L287 WeakPolarHBondContact O-CG 3.33Å; K283-L287 PolarHBondContact O-N 3.41Å; K283-L287 VanDerWaalsContact O-N 3.15Å; L287-S290 WeakPolarHBondContact O-CB 3.28Å; L287-S290 PolarHBondContact O-N 2.72Å; L287-V291 WeakPolarHBondContact O-CG2 3.39Å; L287-V291 PolarHBondContact O-N 2.85Å; L287-V291 VanDerWaalsContact O-N 3.17Å
288R95.5Very high94.2Very high159 Ų15986.8 Ų86.860%0.641%0.414SS*.Hα-helixtrans-62.6-52.6173.1-77-169.5-72.6-97.77.4111.7G284 T285 I286 S290 V291 D292G284-R288 WeakPolarHBondContact O-CG 3.41Å; G284-R288 PolarHBondContact O-N 3.47Å; G284-R288 VanDerWaalsContact O-N 3.13Å; T285-R288 PolarHBondContact O-N 2.97Å; I286-R288 PolarHBondContact O-N 3.14Å; R288-S290 PolarHBondContact O-N 3.01Å; R288-V291 PolarHBondContact O-N 3.24Å; R288-D292 PolarHBondContact O-N 3.34Å
289A95.1Very high95.4Very high27 Ų2786.2 Ų86.222%0.22340%0.403CS..Hα-helixtrans-63.2-28.7179.300000112.8I271 W281 T285 I286 Y293I271-A289 HydrophobicContact CD1-CB 4.15Å; I271-A289 HydrophobicContact CG2-CB 3.94Å; W281-A289 HydrophobicContact CH2-CB 4.27Å; W281-A289 HydrophobicContact CZ3-CB 4.04Å; T285-A289 VanDerWaalsContact O-CB 3.32Å; T285-A289 WeakPolarHBondContact O-CB 3.4Å; T285-A289 PolarHBondContact O-N 3.48Å; I286-A289 PolarHBondContact O-N 3.15Å; A289-Y293 WeakPolarHBondContact O-CB 3.44Å; A289-Y293 PolarHBondContact O-N 3.39Å
290S97.6Very high96.1Very high9 Ų986.1 Ų86.16%0.06340%0.401CS..Hα-helixtrans-60.8-51.7169.7-55.40000111.4I271 I286 L287 R288 D292 Y293 I294I271-S290 WeakPolarHBondContact CD1-OG 3.38Å; I286-S290 WeakPolarHBondContact O-CB 3.47Å; I286-S290 PolarHBondContact O-N 3.02Å; I286-S290 PolarHBondContact O-OG 3.49Å; L287-S290 WeakPolarHBondContact O-CB 3.28Å; L287-S290 PolarHBondContact O-N 2.72Å; R288-S290 PolarHBondContact O-N 3.01Å; S290-D292 PolarHBondContact O-N 2.93Å; S290-Y293 PolarHBondContact O-N 2.83Å; S290-I294 VanDerWaalsContact O-CG1 3.27Å; S290-I294 WeakPolarHBondContact O-CG1 3.47Å; S290-I294 PolarHBondContact O-N 2.99Å
291V98.2Very high96.7Very high75 Ų7580.8 Ų80.846%0.45539%0.391SS..Hα-helixtrans-63-43.5-179168.80000111L287 R288 I294 K295L287-V291 WeakPolarHBondContact O-CG2 3.39Å; L287-V291 PolarHBondContact O-N 2.85Å; L287-V291 VanDerWaalsContact O-N 3.17Å; R288-V291 PolarHBondContact O-N 3.24Å; V291-I294 PolarHBondContact O-N 3.27Å; V291-K295 HydrophobicContact CG1-CD 4.42Å; V291-K295 WeakPolarHBondContact O-CG 3.43Å; V291-K295 PolarHBondContact O-N 2.88Å
292D96.8Very high97Very high77 Ų7781 Ų8141%0.41240%0.396SS..Hα-helixtrans-74.4-29.7-178.7-61.8-34.6000112.5R288 S290 K295 R296R288-D292 PolarHBondContact O-N 3.34Å; S290-D292 PolarHBondContact O-N 2.93Å; D292-K295 IonicContact OD1-NZ 3.62Å; D292-K295 PolarHBondContact OD1-NZ 3.32Å; D292-R296 WeakPolarHBondContact O-CB 3.31Å; D292-R296 PolarHBondContact O-N 2.77Å
293Y97.3Very high97.1Very high77 Ų7783.2 Ų83.230%0.30240%0.399SS..Hα-helixtrans-69-41.5169.8-177.6-131.3000112.2P272 A289 S290 K295 R296 M297P272-Y293 HydrophobicContact CG-CD2 4.02Å; P272-Y293 HydrophobicContact CG-CE1 4.25Å; P272-Y293 HydrophobicContact CG-CE2 3.53Å; A289-Y293 WeakPolarHBondContact O-CB 3.44Å; A289-Y293 PolarHBondContact O-N 3.39Å; S290-Y293 PolarHBondContact O-N 2.83Å; Y293-K295 PolarHBondContact O-N 2.83Å; Y293-R296 WeakPolarHBondContact O-CB 3.48Å; Y293-R296 PolarHBondContact O-N 3.27Å; Y293-M297 WeakPolarHBondContact O-CB 3.46Å; Y293-M297 PolarHBondContact O-N 2.91Å
294I98.1Very high97.2Very high80 Ų8081.6 Ų81.641%0.4140%0.402SS..Hα-helixtrans-59.8-47.5174.3-70.7163.3000110.8S290 V291 R296 M297 Q298S290-I294 VanDerWaalsContact O-CG1 3.27Å; S290-I294 WeakPolarHBondContact O-CG1 3.47Å; S290-I294 PolarHBondContact O-N 2.99Å; V291-I294 PolarHBondContact O-N 3.27Å; I294-R296 VanDerWaalsContact C-N 3.32Å; I294-R296 PolarHBondContact O-N 3.31Å; I294-M297 PolarHBondContact O-N 3.03Å; I294-Q298 HydrophobicContact CG2-CG 4.48Å; I294-Q298 WeakPolarHBondContact O-CB 3.49Å; I294-Q298 VanDerWaalsContact O-CG 3.3Å; I294-Q298 WeakPolarHBondContact O-CG 3.35Å; I294-Q298 PolarHBondContact O-N 2.92Å
295K98.1Very high97.3Very high116 Ų11687.4 Ų87.450%0.50442%0.416SS..Hα-helixtrans-59.1-42.3175.2-69.6169.9-169.4158.80112.2V291 D292 Y293 K299V291-K295 HydrophobicContact CG1-CD 4.42Å; V291-K295 WeakPolarHBondContact O-CG 3.43Å; V291-K295 PolarHBondContact O-N 2.88Å; D292-K295 IonicContact OD1-NZ 3.62Å; D292-K295 PolarHBondContact OD1-NZ 3.32Å; Y293-K295 PolarHBondContact O-N 2.83Å; K295-K299 PolarHBondContact O-N 3.44Å
296R97.1Very high97.4Very high136 Ų13690.8 Ų90.851%0.51343%0.429SS..Hα-helixtrans-61.8-52.2177.3-168.9-169.7-59.4165.81.7110.5D292 Y293 I294 Q298 K299 D300D292-R296 WeakPolarHBondContact O-CB 3.31Å; D292-R296 PolarHBondContact O-N 2.77Å; Y293-R296 WeakPolarHBondContact O-CB 3.48Å; Y293-R296 PolarHBondContact O-N 3.27Å; I294-R296 VanDerWaalsContact C-N 3.32Å; I294-R296 PolarHBondContact O-N 3.31Å; R296-Q298 VanDerWaalsContact C-N 3.33Å; R296-Q298 PolarHBondContact O-N 3.2Å; R296-K299 CarbonylContact O-C 3.56Å; R296-K299 WeakPolarHBondContact O-CA 3.16Å; R296-K299 WeakPolarHBondContact O-CB 3.18Å; R296-K299 PolarHBondContact O-N 2.84Å; R296-K299 VanDerWaalsContact O-N 3.07Å; R296-D300 WeakPolarHBondContact O-CB 3.41Å; R296-D300 PolarHBondContact O-N 3.2Å
297M97.9Very high97.5Very high90 Ų9094.4 Ų94.444%0.44345%0.452SS..Hα-helixtrans-59.3-39.8178.5-173.7177.167.100112.4Y293 I294 D300 V301Y293-M297 WeakPolarHBondContact O-CB 3.46Å; Y293-M297 PolarHBondContact O-N 2.91Å; I294-M297 PolarHBondContact O-N 3.03Å; M297-D300 PolarHBondContact O-N 3.33Å; M297-V301 WeakPolarHBondContact O-CG2 3.47Å; M297-V301 PolarHBondContact O-N 2.95Å
298Q97.9Very high97.6Very high121 Ų12195.1 Ų95.157%0.56545%0.453SS*.Hα-helixtrans-61.6-44.7173.3-74.9171.2-19.900112.1I294 R296 D300 Q302I294-Q298 HydrophobicContact CG2-CG 4.48Å; I294-Q298 WeakPolarHBondContact O-CB 3.49Å; I294-Q298 VanDerWaalsContact O-CG 3.3Å; I294-Q298 WeakPolarHBondContact O-CG 3.35Å; I294-Q298 PolarHBondContact O-N 2.92Å; R296-Q298 VanDerWaalsContact C-N 3.33Å; R296-Q298 PolarHBondContact O-N 3.2Å; Q298-D300 VanDerWaalsContact C-N 3.31Å; Q298-D300 PolarHBondContact O-N 3.03Å; Q298-Q302 PolarHBondContact O-N 2.86Å; Q298-Q302 VanDerWaalsContact O-N 3.13Å
299K97.8Very high97.7Very high146 Ų14691.8 Ų91.864%0.63545%0.447SS*.Hα-helixtrans-64.4-35.6174-173.7174.5-176.3175.20112.1K295 R296 Q302 R303K295-K299 PolarHBondContact O-N 3.44Å; R296-K299 CarbonylContact O-C 3.56Å; R296-K299 WeakPolarHBondContact O-CA 3.16Å; R296-K299 WeakPolarHBondContact O-CB 3.18Å; R296-K299 PolarHBondContact O-N 2.84Å; R296-K299 VanDerWaalsContact O-N 3.07Å; K299-Q302 PolarHBondContact O-N 3.07Å; K299-R303 WeakPolarHBondContact O-CB 3.33Å; K299-R303 PolarHBondContact O-N 3.02Å
300D97.6Very high97.8Very high58 Ų5895.1 Ų95.131%0.3146%0.461SS..Hα-helixtrans-72.1-39.2-179.9-64.4-27.4000112R296 M297 Q298 R303 S304R296-D300 WeakPolarHBondContact O-CB 3.41Å; R296-D300 PolarHBondContact O-N 3.2Å; M297-D300 PolarHBondContact O-N 3.33Å; Q298-D300 VanDerWaalsContact C-N 3.31Å; Q298-D300 PolarHBondContact O-N 3.03Å; D300-R303 PolarHBondContact O-N 2.97Å; D300-R303 IonicContact OD1-CZ 3.53Å; D300-R303 IonicContact OD1-NH1 2.69Å; D300-R303 PolarHBondContact OD1-NH1 3.13Å; D300-R303 IonicContact OD1-NH2 3.97Å; D300-R303 PolarHBondContact OD1-NH2 3.48Å; D300-S304 WeakPolarHBondContact O-CB 3.3Å; D300-S304 PolarHBondContact O-N 3.28Å
301V98Very high97.9Very high96 Ų96100.7 Ų100.758%0.58248%0.484SS*.Hα-helixtrans-60.5-44.9170.6167.80000111.2M297 S304 R305M297-V301 WeakPolarHBondContact O-CG2 3.47Å; M297-V301 PolarHBondContact O-N 2.95Å; V301-S304 WeakPolarHBondContact O-CB 3.46Å; V301-S304 PolarHBondContact O-N 3.44Å; V301-R305 PolarHBondContact O-N 3.09Å; V301-R305 VanDerWaalsContact O-N 3.1Å
302Q97.1Very high97.9Very high93 Ų93101.6 Ų101.644%0.43548%0.482SS..Hα-helixtrans-63.5-46.3177.1177.356.727.500111.7Q298 K299 S304 R305 E306Q298-Q302 PolarHBondContact O-N 2.86Å; Q298-Q302 VanDerWaalsContact O-N 3.13Å; K299-Q302 PolarHBondContact O-N 3.07Å; Q302-S304 VanDerWaalsContact C-N 3.3Å; Q302-S304 PolarHBondContact O-N 3.4Å; Q302-R305 WeakPolarHBondContact O-CB 3.48Å; Q302-R305 PolarHBondContact O-N 2.92Å; Q302-E306 WeakPolarHBondContact CG-OE1 3.37Å; Q302-E306 PolarHBondContact NE2-OE1 2.73Å; Q302-E306 WeakPolarHBondContact O-CG 3.41Å; Q302-E306 PolarHBondContact O-N 2.73Å
303R98.1Very high97.9Very high114 Ų114106.4 Ų106.443%0.4349%0.494SS..Hα-helixtrans-61.7-37.9175.8-162-162.5-52.497.93.2112K299 D300 E306 V307K299-R303 WeakPolarHBondContact O-CB 3.33Å; K299-R303 PolarHBondContact O-N 3.02Å; D300-R303 PolarHBondContact O-N 2.97Å; D300-R303 IonicContact OD1-CZ 3.53Å; D300-R303 IonicContact OD1-NH1 2.69Å; D300-R303 PolarHBondContact OD1-NH1 3.13Å; D300-R303 IonicContact OD1-NH2 3.97Å; D300-R303 PolarHBondContact OD1-NH2 3.48Å; R303-E306 PolarHBondContact O-N 3.02Å; R303-V307 WeakPolarHBondContact O-CG2 3.46Å; R303-V307 PolarHBondContact O-N 2.99Å
304S98.1Very high98Very high80 Ų80108.2 Ų108.256%0.55951%0.507SS*.Hα-helixtrans-61-44.9176.9-167.90000111.4D300 V301 Q302 E306 V307 E308D300-S304 WeakPolarHBondContact O-CB 3.3Å; D300-S304 PolarHBondContact O-N 3.28Å; V301-S304 WeakPolarHBondContact O-CB 3.46Å; V301-S304 PolarHBondContact O-N 3.44Å; Q302-S304 VanDerWaalsContact C-N 3.3Å; Q302-S304 PolarHBondContact O-N 3.4Å; S304-E306 PolarHBondContact O-N 3.21Å; S304-V307 PolarHBondContact O-N 3.49Å; S304-E308 WeakPolarHBondContact O-CB 3.27Å; S304-E308 PolarHBondContact O-N 2.8Å
305R98.1Very high98Very high150 Ų150107.9 Ų107.957%0.56650%0.504SS*.Hα-helixtrans-62-38.8173.8176.5178.3-72.9-164.9-2.8112.8V301 Q302 N309V301-R305 PolarHBondContact O-N 3.09Å; V301-R305 VanDerWaalsContact O-N 3.1Å; Q302-R305 WeakPolarHBondContact O-CB 3.48Å; Q302-R305 PolarHBondContact O-N 2.92Å; R305-N309 WeakPolarHBondContact O-CB 3.46Å; R305-N309 VanDerWaalsContact O-CG 3.27Å; R305-N309 PolarHBondContact O-N 2.95Å; R305-N309 PolarHBondContact O-ND2 2.92Å
306E97.8Very high98Very high104 Ų104107.5 Ų107.549%0.48651%0.505SS..Hα-helixtrans-64.9-43.9175.8-72.3162.4-170.500111.8Q302 R303 S304 N309 N310Q302-E306 WeakPolarHBondContact CG-OE1 3.37Å; Q302-E306 PolarHBondContact NE2-OE1 2.73Å; Q302-E306 WeakPolarHBondContact O-CG 3.41Å; Q302-E306 PolarHBondContact O-N 2.73Å; R303-E306 PolarHBondContact O-N 3.02Å; S304-E306 PolarHBondContact O-N 3.21Å; E306-N309 PolarHBondContact O-N 3.2Å; E306-N310 WeakPolarHBondContact O-CB 3.31Å; E306-N310 PolarHBondContact O-N 2.89Å
307V98.4Very high98Very high93 Ų93103 Ų10356%0.56450%0.497SS*.Hα-helixtrans-63.4-43.9175171.40000111.3R303 S304 N309 N310 F311R303-V307 WeakPolarHBondContact O-CG2 3.46Å; R303-V307 PolarHBondContact O-N 2.99Å; S304-V307 PolarHBondContact O-N 3.49Å; V307-N309 PolarHBondContact O-N 3Å; V307-N310 PolarHBondContact O-N 3.47Å; V307-F311 WeakPolarHBondContact O-CB 3.45Å; V307-F311 PolarHBondContact O-N 2.74Å
308E98.1Very high98Very high97 Ų97102.9 Ų102.945%0.45350%0.498SS..Hα-helixtrans-61.4-43.3177.1-166.6-161.7158.600112S304 F311 K312S304-E308 WeakPolarHBondContact O-CB 3.27Å; S304-E308 PolarHBondContact O-N 2.8Å; E308-F311 PolarHBondContact O-N 2.84Å; E308-K312 WeakPolarHBondContact O-CG 3.26Å; E308-K312 PolarHBondContact O-N 2.71Å; E308-K312 VanDerWaalsContact OE1-CE 3.26Å; E308-K312 WeakPolarHBondContact OE1-CE 3.26Å; E308-K312 IonicContact OE1-NZ 3.75Å; E308-K312 PolarHBondContact OE1-NZ 2.94Å
309N98.2Very high98Very high89 Ų89101.6 Ų101.648%0.47649%0.491SS..Hα-helixtrans-67.3-37.4176.5-75.3-28.2000112.4R305 E306 V307 R313R305-N309 WeakPolarHBondContact O-CB 3.46Å; R305-N309 VanDerWaalsContact O-CG 3.27Å; R305-N309 PolarHBondContact O-N 2.95Å; R305-N309 PolarHBondContact O-ND2 2.92Å; E306-N309 PolarHBondContact O-N 3.2Å; V307-N309 PolarHBondContact O-N 3Å; N309-R313 PolarHBondContact O-N 2.63Å; N309-R313 VanDerWaalsContact O-N 3.1Å
310N98.3Very high98Very high97 Ų97101.2 Ų101.252%0.51949%0.491SS..Hα-helixtrans-69-39.3174.7-166.338.4000111.6E306 V307 R313 M314E306-N310 WeakPolarHBondContact O-CB 3.31Å; E306-N310 PolarHBondContact O-N 2.89Å; V307-N310 PolarHBondContact O-N 3.47Å; N310-R313 WeakPolarHBondContact O-CB 3.37Å; N310-R313 PolarHBondContact O-N 2.83Å; N310-M314 WeakPolarHBondContact O-CB 3.38Å; N310-M314 PolarHBondContact O-N 3.48Å
311F98.3Very high98.1Very high126 Ų126103.6 Ų103.655%0.55350%0.504SS*.Hα-helixtrans-58.7-48.3173.8-179.2-93.3000111.4V307 E308 R313 M314 E315V307-F311 WeakPolarHBondContact O-CB 3.45Å; V307-F311 PolarHBondContact O-N 2.74Å; E308-F311 PolarHBondContact O-N 2.84Å; F311-R313 VanDerWaalsContact C-N 3.33Å; F311-R313 PolarHBondContact O-N 3.36Å; F311-M314 HydrophobicContact CD2-CE 4.35Å; F311-M314 PolarHBondContact O-N 3.08Å; F311-E315 WeakPolarHBondContact O-CB 3.22Å; F311-E315 PolarHBondContact O-N 2.91Å
312K98.4Very high98Very high94 Ų94103.3 Ų103.341%0.40950%0.497SS..Hα-helixtrans-59.8-40.2175.3-70.2168.7-173.5169.50112.7E308 E315 M316E308-K312 WeakPolarHBondContact O-CG 3.26Å; E308-K312 PolarHBondContact O-N 2.71Å; E308-K312 VanDerWaalsContact OE1-CE 3.26Å; E308-K312 WeakPolarHBondContact OE1-CE 3.26Å; E308-K312 IonicContact OE1-NZ 3.75Å; E308-K312 PolarHBondContact OE1-NZ 2.94Å; K312-E315 PolarHBondContact O-N 2.67Å; K312-M316 WeakPolarHBondContact O-CG 3.49Å; K312-M316 PolarHBondContact O-N 3.43Å
313R98.2Very high98Very high177 Ų177104.2 Ų104.267%0.66850%0.504SS*.Hα-helixtrans-62.7-46175-173.4-173.8-62.3-168.10.4111.6N309 N310 F311 M316 A317N309-R313 PolarHBondContact O-N 2.63Å; N309-R313 VanDerWaalsContact O-N 3.1Å; N310-R313 WeakPolarHBondContact O-CB 3.37Å; N310-R313 PolarHBondContact O-N 2.83Å; F311-R313 VanDerWaalsContact C-N 3.33Å; F311-R313 PolarHBondContact O-N 3.36Å; R313-M316 PolarHBondContact O-N 2.89Å; R313-A317 WeakPolarHBondContact O-CB 3.37Å; R313-A317 PolarHBondContact O-N 2.83Å
314M98.2Very high98Very high115 Ų115104.4 Ų104.457%0.56751%0.505SS*.Hα-helixtrans-66.1-37.5178.3-174.5169.963.300111.9N310 F311 A317 N318N310-M314 WeakPolarHBondContact O-CB 3.38Å; N310-M314 PolarHBondContact O-N 3.48Å; F311-M314 HydrophobicContact CD2-CE 4.35Å; F311-M314 PolarHBondContact O-N 3.08Å; M314-A317 PolarHBondContact O-N 3.32Å; M314-N318 VanDerWaalsContact O-CB 3.31Å; M314-N318 WeakPolarHBondContact O-CB 3.46Å; M314-N318 PolarHBondContact O-N 3Å
315E98.1Very high97.9Very high73 Ų73105.1 Ų105.134%0.34150%0.501SS..Hα-helixtrans-63.9-44.6174.9-162.4-143.9-163.700111.6F311 K312 N318 K319F311-E315 WeakPolarHBondContact O-CB 3.22Å; F311-E315 PolarHBondContact O-N 2.91Å; K312-E315 PolarHBondContact O-N 2.67Å; E315-N318 PolarHBondContact O-N 2.74Å; E315-K319 VanDerWaalsContact CD-CE 3.47Å; E315-K319 WeakPolarHBondContact O-CG 3.39Å; E315-K319 PolarHBondContact O-N 3.19Å; E315-K319 VanDerWaalsContact OE1-CE 3.31Å; E315-K319 WeakPolarHBondContact OE1-CE 3.11Å; E315-K319 IonicContact OE1-NZ 3.86Å; E315-K319 PolarHBondContact OE1-NZ 3.18Å; E315-K319 IonicContact OE2-NZ 2.74Å; E315-K319 PolarHBondContact OE2-NZ 3.42Å
316M98Very high97.8Very high108 Ų108103.9 Ų103.953%0.53250%0.502SS..Hα-helixtrans-63.3-43173.7-71.6-173.7-66.100112.4K312 R313 N318 K319 Q320K312-M316 WeakPolarHBondContact O-CG 3.49Å; K312-M316 PolarHBondContact O-N 3.43Å; R313-M316 PolarHBondContact O-N 2.89Å; M316-N318 PolarHBondContact O-N 3.49Å; M316-K319 PolarHBondContact O-N 3.03Å; M316-Q320 WeakPolarHBondContact O-CG 3.49Å; M316-Q320 PolarHBondContact O-N 2.97Å
317A98.2Very high97.6Very high42 Ų42102.4 Ų102.435%0.34750%0.495SS..Hα-helixtrans-62.9-41.1176.300000111.9R313 M314 Q320 L321R313-A317 WeakPolarHBondContact O-CB 3.37Å; R313-A317 PolarHBondContact O-N 2.83Å; M314-A317 PolarHBondContact O-N 3.32Å; A317-Q320 PolarHBondContact O-N 3.38Å; A317-L321 WeakPolarHBondContact O-CG 3.42Å; A317-L321 PolarHBondContact O-N 3.43Å
318N98Very high97.5Very high88 Ų88101.8 Ų101.847%0.47149%0.488SS..Hα-helixtrans-65.1-42.1176.6-164.21.6000111.5M314 E315 M316 Q320 L321 M322M314-N318 VanDerWaalsContact O-CB 3.31Å; M314-N318 WeakPolarHBondContact O-CB 3.46Å; M314-N318 PolarHBondContact O-N 3Å; E315-N318 PolarHBondContact O-N 2.74Å; M316-N318 PolarHBondContact O-N 3.49Å; N318-Q320 VanDerWaalsContact C-N 3.34Å; N318-Q320 PolarHBondContact O-N 2.98Å; N318-L321 PolarHBondContact O-N 2.93Å; N318-M322 WeakPolarHBondContact O-CB 3.44Å; N318-M322 PolarHBondContact O-N 2.92Å
319K97.8Very high97.2Very high93 Ų9399.9 Ų99.940%0.40448%0.479SS..Hα-helixtrans-60.1-40.3172.3-72.4167.6-178.1170.70112.5E315 M316 L323E315-K319 VanDerWaalsContact CD-CE 3.47Å; E315-K319 WeakPolarHBondContact O-CG 3.39Å; E315-K319 PolarHBondContact O-N 3.19Å; E315-K319 VanDerWaalsContact OE1-CE 3.31Å; E315-K319 WeakPolarHBondContact OE1-CE 3.11Å; E315-K319 IonicContact OE1-NZ 3.86Å; E315-K319 PolarHBondContact OE1-NZ 3.18Å; E315-K319 IonicContact OE2-NZ 2.74Å; E315-K319 PolarHBondContact OE2-NZ 3.42Å; M316-K319 PolarHBondContact O-N 3.03Å; K319-L323 WeakPolarHBondContact O-CG 3.17Å; K319-L323 PolarHBondContact O-N 3.4Å; K319-L323 VanDerWaalsContact O-N 3.15Å
320Q98.2Very high96.9Very high138 Ų138100.4 Ų100.465%0.64548%0.48SS*.Hα-helixtrans-66.2-43.1175.2-72.3171.6500112.3M316 A317 N318 L323 R324M316-Q320 WeakPolarHBondContact O-CG 3.49Å; M316-Q320 PolarHBondContact O-N 2.97Å; A317-Q320 PolarHBondContact O-N 3.38Å; N318-Q320 VanDerWaalsContact C-N 3.34Å; N318-Q320 PolarHBondContact O-N 2.98Å; Q320-L323 PolarHBondContact O-N 3.21Å; Q320-R324 WeakPolarHBondContact O-CB 3.33Å; Q320-R324 PolarHBondContact O-N 3.4Å
321L98.2Very high96.7Very high109 Ų10999.2 Ų99.257%0.57147%0.472SS*.Hα-helixtrans-63.9-41.4176.3-71.4170.4000111.9A317 N318 L323 R324 I325A317-L321 WeakPolarHBondContact O-CG 3.42Å; A317-L321 PolarHBondContact O-N 3.43Å; N318-L321 PolarHBondContact O-N 2.93Å; L321-L323 PolarHBondContact O-N 2.89Å; L321-R324 PolarHBondContact O-N 3.33Å; L321-I325 VanDerWaalsContact O-CG1 3.28Å; L321-I325 WeakPolarHBondContact O-CG1 3.08Å; L321-I325 PolarHBondContact O-N 2.87Å
322M97.3Very high96.4Very high90 Ų9094.6 Ų94.644%0.44346%0.457SS..Hα-helixtrans-57.6-48.4174.6-177.2-172.5-67.400111.9N318 R324 I325 Q326N318-M322 WeakPolarHBondContact O-CB 3.44Å; N318-M322 PolarHBondContact O-N 2.92Å; M322-R324 PolarHBondContact O-N 3.02Å; M322-I325 PolarHBondContact O-N 3.46Å; M322-Q326 PolarHBondContact O-N 2.87Å
323L96.6Very high96Very high111 Ų11195.4 Ų95.458%0.58146%0.462SS*.Hα-helixtrans-63.8-38.9176.3-69.6170.7000112.1K319 Q320 L321 Q326 E327K319-L323 WeakPolarHBondContact O-CG 3.17Å; K319-L323 PolarHBondContact O-N 3.4Å; K319-L323 VanDerWaalsContact O-N 3.15Å; Q320-L323 PolarHBondContact O-N 3.21Å; L321-L323 PolarHBondContact O-N 2.89Å; L323-Q326 PolarHBondContact O-N 3.08Å; L323-E327 WeakPolarHBondContact O-CB 3.2Å; L323-E327 PolarHBondContact O-N 3.07Å
324R97.7Very high95.6Very high118 Ų11893.7 Ų93.745%0.44547%0.465SS..Hα-helixtrans-68.6-34177.3-177.756.8-179-178.38112.6Q320 L321 M322 E327 L328Q320-R324 WeakPolarHBondContact O-CB 3.33Å; Q320-R324 PolarHBondContact O-N 3.4Å; L321-R324 PolarHBondContact O-N 3.33Å; M322-R324 PolarHBondContact O-N 3.02Å; R324-E327 VanDerWaalsContact CD-OE2 3.26Å; R324-E327 WeakPolarHBondContact CD-OE2 3.49Å; R324-E327 IonicContact CZ-OE1 2.73Å; R324-E327 IonicContact CZ-OE2 3.23Å; R324-E327 IonicContact NE-OE2 3.8Å; R324-E327 IonicContact NH1-OE1 2.72Å; R324-E327 PolarHBondContact NH1-OE1 3.45Å; R324-E327 IonicContact NH1-OE2 3.72Å; R324-E327 PolarHBondContact NH1-OE2 3.11Å; R324-L328 HydrophobicContact CG-CD1 4.15Å; R324-L328 WeakPolarHBondContact O-CB 3.28Å; R324-L328 WeakPolarHBondContact O-CD1 3.41Å; R324-L328 VanDerWaalsContact O-CG 3.25Å; R324-L328 WeakPolarHBondContact O-CG 3.44Å; R324-L328 PolarHBondContact O-N 2.87Å; R324-L328 VanDerWaalsContact O-N 3.08Å
325I95.3Very high95.3Very high95 Ų9595.8 Ų95.849%0.48747%0.473SS..Hα-helixtrans-63.6-49.9171.8-70.6162000109.4L321 M322 E327 L328 E329L321-I325 VanDerWaalsContact O-CG1 3.28Å; L321-I325 WeakPolarHBondContact O-CG1 3.08Å; L321-I325 PolarHBondContact O-N 2.87Å; M322-I325 PolarHBondContact O-N 3.46Å; I325-E327 VanDerWaalsContact C-N 3.31Å; I325-E327 PolarHBondContact O-N 2.99Å; I325-L328 PolarHBondContact O-N 3.47Å; I325-L328 VanDerWaalsContact O-N 3.12Å; I325-E329 HydrophobicContact CG2-CG 4.29Å; I325-E329 WeakPolarHBondContact O-CG 3.46Å; I325-E329 PolarHBondContact O-N 3.4Å
326Q95.8Very high94.8Very high125 Ų12595.4 Ų95.458%0.58449%0.489SS*.Hα-helixtrans-58.1-40.8178.1-171.8-178.916.500112.6M322 L323 M330M322-Q326 PolarHBondContact O-N 2.87Å; L323-Q326 PolarHBondContact O-N 3.08Å; Q326-M330 WeakPolarHBondContact O-CB 3.4Å; Q326-M330 PolarHBondContact O-N 3.01Å
327E95.4Very high94.2Very high73 Ų7395.4 Ų95.434%0.34149%0.49SS..Hα-helixtrans-62.1-44.2175.2-167.6-151.2143.700112.2L323 R324 I325 M330 Q331L323-E327 WeakPolarHBondContact O-CB 3.2Å; L323-E327 PolarHBondContact O-N 3.07Å; R324-E327 VanDerWaalsContact CD-OE2 3.26Å; R324-E327 WeakPolarHBondContact CD-OE2 3.49Å; R324-E327 IonicContact CZ-OE1 2.73Å; R324-E327 IonicContact CZ-OE2 3.23Å; R324-E327 IonicContact NE-OE2 3.8Å; R324-E327 IonicContact NH1-OE1 2.72Å; R324-E327 PolarHBondContact NH1-OE1 3.45Å; R324-E327 IonicContact NH1-OE2 3.72Å; R324-E327 PolarHBondContact NH1-OE2 3.11Å; I325-E327 VanDerWaalsContact C-N 3.31Å; I325-E327 PolarHBondContact O-N 2.99Å; E327-M330 PolarHBondContact O-N 2.91Å; E327-Q331 WeakPolarHBondContact O-CG 3.47Å; E327-Q331 PolarHBondContact O-N 3.03Å; E327-Q331 PolarHBondContact OE1-NE2 2.75Å
328L94.8Very high93Very high79 Ų7998.5 Ų98.541%0.41451%0.507SS..Hα-helixtrans-70.7-37.3179.1-72.6169.2000112.4R324 I325 Q331 A332R324-L328 HydrophobicContact CG-CD1 4.15Å; R324-L328 WeakPolarHBondContact O-CB 3.28Å; R324-L328 WeakPolarHBondContact O-CD1 3.41Å; R324-L328 VanDerWaalsContact O-CG 3.25Å; R324-L328 WeakPolarHBondContact O-CG 3.44Å; R324-L328 PolarHBondContact O-N 2.87Å; R324-L328 VanDerWaalsContact O-N 3.08Å; I325-L328 PolarHBondContact O-N 3.47Å; I325-L328 VanDerWaalsContact O-N 3.12Å; L328-Q331 PolarHBondContact O-N 3.28Å; L328-A332 WeakPolarHBondContact O-CB 3.49Å; L328-A332 PolarHBondContact O-N 2.85Å
329E92Very high91.3Very high58 Ų5896.3 Ų96.327%0.27150%0.498SS..Hα-helixtrans-64.3-40.6173.6-72.9-176.5141.500111.3I325 A332 Q333 S341I325-E329 HydrophobicContact CG2-CG 4.29Å; I325-E329 WeakPolarHBondContact O-CG 3.46Å; I325-E329 PolarHBondContact O-N 3.4Å; E329-A332 PolarHBondContact O-N 3.42Å; E329-Q333 VanDerWaalsContact O-CG 3.32Å; E329-Q333 WeakPolarHBondContact O-CG 3.41Å; E329-Q333 PolarHBondContact O-N 3.14Å; E329-S341 VanDerWaalsContact OE1-CB 3.23Å; E329-S341 WeakPolarHBondContact OE1-CB 3.4Å; E329-S341 PolarHBondContact OE1-OG 2.89Å
330M92.1Very high89.6Confident100 Ų10098.7 Ų98.749%0.49352%0.516SS..Hα-helixtrans-63.7-41.6173.2-176.7-177.267.100112Q326 E327 Q333 L334Q326-M330 WeakPolarHBondContact O-CB 3.4Å; Q326-M330 PolarHBondContact O-N 3.01Å; E327-M330 PolarHBondContact O-N 2.91Å; M330-Q333 PolarHBondContact O-N 2.92Å; M330-L334 HydrophobicContact CG-CD1 4.41Å; M330-L334 WeakPolarHBondContact O-CG 3.36Å; M330-L334 PolarHBondContact O-N 3.09Å
331Q94.6Very high87.5Confident72 Ų7294.1 Ų94.134%0.33650%0.499SS..Hα-helixtrans-62.9-42.9174.5-73.816720.400111.6E327 L328 Q333 L334 H335E327-Q331 WeakPolarHBondContact O-CG 3.47Å; E327-Q331 PolarHBondContact O-N 3.03Å; E327-Q331 PolarHBondContact OE1-NE2 2.75Å; L328-Q331 PolarHBondContact O-N 3.28Å; Q331-Q333 PolarHBondContact O-N 3.35Å; Q331-L334 PolarHBondContact O-N 3.05Å; Q331-H335 PolarHBondContact O-CD2 2.93Å; Q331-H335 PolarHBondContact O-N 3.47Å
332A91.6Very high85.4Confident29 Ų2994.6 Ų94.624%0.2451%0.509CS..Hα-helixtrans-61.3-42.917600000112.2L328 E329 H335 G336 L337L328-A332 WeakPolarHBondContact O-CB 3.49Å; L328-A332 PolarHBondContact O-N 2.85Å; E329-A332 PolarHBondContact O-N 3.42Å; A332-H335 CarbonylContact O-C 3.51Å; A332-H335 PolarHBondContact O-N 2.97Å; A332-G336 PolarHBondContact O-N 2.74Å; A332-L337 HydrophobicContact CB-CB 4.26Å; A332-L337 HydrophobicContact CB-CD1 4.2Å; A332-L337 WeakPolarHBondContact O-CB 3.31Å; A332-L337 PolarHBondContact O-N 2.77Å
333Q89.2Confident83.3Confident111 Ų11194.9 Ų94.952%0.51952%0.52SS..Hα-helixtrans-60.6-44.4174.1-73171.8-400112.1E329 M330 Q331 H335 G336E329-Q333 VanDerWaalsContact O-CG 3.32Å; E329-Q333 WeakPolarHBondContact O-CG 3.41Å; E329-Q333 PolarHBondContact O-N 3.14Å; M330-Q333 PolarHBondContact O-N 2.92Å; Q331-Q333 PolarHBondContact O-N 3.35Å; Q333-H335 VanDerWaalsContact C-N 3.27Å; Q333-H335 PolarHBondContact O-N 2.85Å; Q333-G336 PolarHBondContact O-N 3.26Å
334L90.8Very high81Confident141 Ų14194 Ų9474%0.73853%0.529SS*.Hα-helixtrans-63.6-31.3176.6-72.1169.7000112.7M330 Q331 G336M330-L334 HydrophobicContact CG-CD1 4.41Å; M330-L334 WeakPolarHBondContact O-CG 3.36Å; M330-L334 PolarHBondContact O-N 3.09Å; Q331-L334 PolarHBondContact O-N 3.05Å; L334-G336 PolarHBondContact O-N 3.46Å
335H92.7Very high78.6Confident158 Ų15894.1 Ų94.173%0.73154%0.537SS*.THydrogen-bonded Turntrans-828.4171.6-75.1-66.8000114.1Q331 A332 Q333Q331-H335 PolarHBondContact O-CD2 2.93Å; Q331-H335 PolarHBondContact O-N 3.47Å; A332-H335 CarbonylContact O-C 3.51Å; A332-H335 PolarHBondContact O-N 2.97Å; Q333-H335 VanDerWaalsContact C-N 3.27Å; Q333-H335 PolarHBondContact O-N 2.85Å
336G87.3Confident76.3Confident65 Ų6594.1 Ų94.167%0.6754%0.538SS*.THydrogen-bonded Turntrans79.213.4174.700000115.1A332 Q333 L334A332-G336 PolarHBondContact O-N 2.74Å; Q333-G336 PolarHBondContact O-N 3.26Å; L334-G336 PolarHBondContact O-N 3.46Å
337L85.6Confident74.3Confident108 Ų10893.3 Ų93.357%0.56554%0.544SS*.  trans-83.1133.3176.4-56.8178.2000110.4A332 S339A332-L337 HydrophobicContact CB-CB 4.26Å; A332-L337 HydrophobicContact CB-CD1 4.2Å; A332-L337 WeakPolarHBondContact O-CB 3.31Å; A332-L337 PolarHBondContact O-N 2.77Å; L337-S339 PolarHBondContact O-N 3.17Å
338P71.9Confident72.3Confident108 Ų10895 Ų9570%0.70156%0.564SS**  trans-72.2103.9-179.328.5-33.9000111N340P338-N340 VanDerWaalsContact C-N 3.28Å; P338-N340 PolarHBondContact O-N 3.27Å
339S62Low70.1Confident41 Ų4197.9 Ų97.929%0.28758%0.575SS.*  trans-75.881.1173-175.20000110.7L337 S341L337-S339 PolarHBondContact O-N 3.17Å; S339-S341 VanDerWaalsContact C-N 3.31Å
340N62Low68.1Low144 Ų144102.4 Ų102.477%0.7760%0.598SS**  trans-97.444.9172.1-70.817.5000110.8P338 P342P338-N340 VanDerWaalsContact C-N 3.28Å; P338-N340 PolarHBondContact O-N 3.27Å; N340-P342 WeakPolarHBondContact O-CD 3.4Å
341S55.5Low65.8Low42 Ų42102.6 Ų102.629%0.29460%0.599SS.*  trans-64.1119.6172.5-77.50000110.3E329 S339 S343 A344E329-S341 VanDerWaalsContact OE1-CB 3.23Å; E329-S341 WeakPolarHBondContact OE1-CB 3.4Å; E329-S341 PolarHBondContact OE1-OG 2.89Å; S339-S341 VanDerWaalsContact C-N 3.31Å; S341-S343 PolarHBondContact O-N 3.46Å; S341-S343 VanDerWaalsContact O-N 3.09Å; S341-A344 PolarHBondContact O-N 3.31Å
342P53.9Low63.5Low119 Ų119103.9 Ų103.977%0.77361%0.614SS**THydrogen-bonded Turntrans-67.1-9.1175.428.9-35.2000112.8N340 A344N340-P342 WeakPolarHBondContact O-CD 3.4Å; P342-A344 PolarHBondContact O-N 2.78Å
343S52.3Low61.3Low96 Ų96107.5 Ų107.567%0.67164%0.635SS**THydrogen-bonded Turntrans-70.30.8171.9-49.40000114.5S341 L345S341-S343 PolarHBondContact O-N 3.46Å; S341-S343 VanDerWaalsContact O-N 3.09Å; S343-L345 PolarHBondContact O-N 3.46Å
344A48.1Very low59Low93 Ų93111.3 Ų111.377%0.76965%0.645SS**  trans-6915.5175.400000114.7S341 P342S341-A344 PolarHBondContact O-N 3.31Å; P342-A344 PolarHBondContact O-N 2.78Å
345L48.3Very low56.7Low119 Ų119110.6 Ų110.662%0.62364%0.641SS**SBendtrans-79.1133.9166.7-63.1178.4000109.4S343S343-L345 PolarHBondContact O-N 3.46Å
346N47.3Very low54.2Low95 Ų95110.2 Ų110.251%0.50864%0.637SS.*  trans-41.8129.1-166-52.1-76.1000114.3S348 E349N346-S348 PolarHBondContact O-N 3.32Å; N346-E349 PolarHBondContact ND2-OE2 3.09Å; N346-E349 PolarHBondContact O-N 3.38Å
347P53.3Low51.7Low108 Ų108114.1 Ų114.170%0.70164%0.638SS**THydrogen-bonded Turntrans-63.1-9.2176.625.8-34.2000113.9
348S52.7Low49Very low109 Ų109117 Ų11776%0.76265%0.649SS**THydrogen-bonded Turntrans-75-21.1171.1-55.30000114.6N346N346-S348 PolarHBondContact O-N 3.32Å
349E48.1Very low47.3Very low139 Ų139116.9 Ų116.965%0.6565%0.646SS**THydrogen-bonded Turntrans-95.3-23.8-172.8-75.3179.8102.200114.2N346 M351N346-E349 PolarHBondContact ND2-OE2 3.09Å; N346-E349 PolarHBondContact O-N 3.38Å; E349-M351 VanDerWaalsContact C-N 3.32Å; E349-M351 PolarHBondContact O-N 3.29Å
350M50Low45.6Very low154 Ų154119.9 Ų119.976%0.75967%0.667SS**SBendtrans-84.62.2179.9-74.4-159.9172.200115.1P352M350-P352 VanDerWaalsContact O-CD 3.3Å; M350-P352 WeakPolarHBondContact O-CD 3.48Å
351M44.9Very low44.6Very low104 Ų104119 Ų11951%0.51267%0.67SS.*  trans-11770.3175.4-76.3-70.2-161.900111.8E349E349-M351 VanDerWaalsContact C-N 3.32Å; E349-M351 PolarHBondContact O-N 3.29Å
352P46.1Very low43.4Very low99 Ų99124 Ų12464%0.64369%0.688SS**  trans-61.7125.9163.427.4-31.6000108.1M350 Y354M350-P352 VanDerWaalsContact O-CD 3.3Å; M350-P352 WeakPolarHBondContact O-CD 3.48Å; P352-Y354 PolarHBondContact O-N 2.92Å
353P45Very low42.3Very low105 Ų105125.8 Ų125.868%0.68269%0.686SS**  trans-67109.4-178.728-34.3000108.5I355P353-I355 HydrophobicContact CB-CD1 4.05Å; P353-I355 HydrophobicContact CB-CG1 4.11Å; P353-I355 HydrophobicContact CG-CD1 4.35Å; P353-I355 PolarHBondContact O-N 2.97Å
354Y41.9Very low41.1Very low190 Ų190127.8 Ų127.875%0.74569%0.689SS**  trans-7760.9-176.6-154.4-94.5000111.2P352 K356P352-Y354 PolarHBondContact O-N 2.92Å; Y354-K356 VanDerWaalsContact C-N 3.25Å; Y354-K356 HydrophobicContact CD1-CG 4.16Å; Y354-K356 HydrophobicContact CE1-CD 3.84Å; Y354-K356 HydrophobicContact CE1-CG 3.76Å; Y354-K356 PolarHBondContact O-N 3.41Å
355I41.7Very low40.1Very low126 Ų126133.5 Ų133.565%0.64670%0.697SS**  trans-7282.3177.8-62.6168.6000107.8P353 Q357P353-I355 HydrophobicContact CB-CD1 4.05Å; P353-I355 HydrophobicContact CB-CG1 4.11Å; P353-I355 HydrophobicContact CG-CD1 4.35Å; P353-I355 PolarHBondContact O-N 2.97Å; I355-Q357 HydrophobicContact CG2-CB 3.66Å; I355-Q357 PolarHBondContact O-N 3.11Å; I355-Q357 VanDerWaalsContact O-N 3.09Å
356K40Very low39.2Very low150 Ų150132.2 Ų132.265%0.65270%0.698SS**  trans-78.870.1154.8-79.8-161.5171.6-167.30109.5Y354 E358Y354-K356 VanDerWaalsContact C-N 3.25Å; Y354-K356 HydrophobicContact CD1-CG 4.16Å; Y354-K356 HydrophobicContact CE1-CD 3.84Å; Y354-K356 HydrophobicContact CE1-CG 3.76Å; Y354-K356 PolarHBondContact O-N 3.41Å; K356-E358 PolarHBondContact O-N 3.32Å
357Q34.4Very low38.3Very low147 Ų147136.7 Ų136.769%0.68772%0.715SS**  trans-76.368.3162.1-172.9177.74.800108.8I355 T359I355-Q357 HydrophobicContact CG2-CB 3.66Å; I355-Q357 PolarHBondContact O-N 3.11Å; I355-Q357 VanDerWaalsContact O-N 3.09Å; Q357-T359 HydrophobicContact CG-CG2 4.3Å; Q357-T359 PolarHBondContact O-N 3.22Å
358E29.6Very low37.2Very low169 Ų169135.7 Ų135.779%0.7972%0.716SS**  trans-81.890.7163.4-89.9-154.38500109.1K356K356-E358 PolarHBondContact O-N 3.32Å
359T35.3Very low35.9Very low106 Ų106140.1 Ų140.165%0.6573%0.725SS**  trans-118.597.9170.451.70000110.1Q357Q357-T359 HydrophobicContact CG-CG2 4.3Å; Q357-T359 PolarHBondContact O-N 3.22Å
360S27.2Very low35.2Very low103 Ų103137.5 Ų137.572%0.7273%0.727SS**  trans65.7115.9166-1580000118.6
361P40.1Very low34.2Very low127 Ų127139.1 Ų139.183%0.82573%0.733SS**  trans-9888.3162.735.7-28.3000111.4
362E30.5Very low33.5Very low147 Ų147139.2 Ų139.269%0.68775%0.751SS**  trans-130.9129.9162.1-91.1-146.680.800112.3
363Q31.1Very low32.7Very low156 Ų156141.5 Ų141.573%0.72976%0.757SS**  trans51.792.2155.3-53.2-176.542.100118.1
364N27.2Very low32Very low137 Ų137144.2 Ų144.273%0.73376%0.76SS**  -179.1130.6100.3-101.5-79000112.6
365F27Very low31.4Very low213 Ų213144.6 Ų144.693%0.93477%0.769SS**  trans-130117.3155-100.2-76.9000108.2
366S29.6Very low30.7Very low92 Ų92143.4 Ų143.464%0.64377%0.771SS**  trans-145.9130.1175.4-83.30000108.7
367H29.2Very low30.2Very low189 Ų189144.8 Ų144.888%0.87578%0.78SS**  trans66.2145.5178.3-79.166.9000115.9
368A29Very low30Very low87 Ų87145.1 Ų145.172%0.71978%0.781SS**  cis-149144.6-3.800000112.7
369Q27Very low30Very low202 Ų202143.8 Ų143.894%0.94478%0.778SS**  trans-147.6150.5132.3-158.8167.729.900108.2
370A32.5Very low30.6Very low85 Ų85144.1 Ų144.170%0.70278%0.782SS**  trans-136.3160.9-165.900000113.5
371Q29.3Very low30.8Very low187 Ų187146.7 Ų146.787%0.87478%0.782SS**  trans6895.6161-64.7175-5.400118.7
372A28.8Very low30.3Very low107 Ų107145.5 Ų145.588%0.88477%0.769SS**  -135.9143.9124.300000108.1
373L29.6Very low30.3Very low147 Ų147146.5 Ų146.577%0.7777%0.774SS**  trans-122.5150.7-173-96.3165.3000112.4
374H31.2Very low30.3Very low161 Ų161143.6 Ų143.675%0.74578%0.777SS**  trans61.9111.2165.5-61.2167.9000119
375Q28.3Very low30.7Very low199 Ų199146.4 Ų146.493%0.9379%0.785SS**  -149.5156.296.1-135.9174109.600111.2
376S27.8Very low31.7Very low101 Ų101141.4 Ų141.471%0.70677%0.774SS**  trans-126.9139.5-177.2-54.20000110.4
377Q29.1Very low31.6Very low178 Ų178145.1 Ų145.183%0.83278%0.781SS**  -177.3169.4127.8-99.6-64.417.900112.7
378H29.8Very low31.6Very low154 Ų154141.9 Ų141.971%0.71377%0.767SS**  trans-98.7143.1-165-99.5-124.7000115.3
379I30.9Very low31.7Very low142 Ų142145 Ų14573%0.72877%0.766SS**  57.3142.2128.9-70.5-176.4000120
380P48.1Very low31.9Very low112 Ų112142.3 Ų142.373%0.72775%0.753SS**  cis-141.9-159.7-21.839.1-17.4000113.8
381H30.3Very low31.8Very low157 Ų157147.4 Ų147.473%0.72776%0.759SS**  130.987.4128.7-153.379.5000117.6
382N29.1Very low31.9Very low102 Ų102145.6 Ų145.655%0.54576%0.755SS.*  80.1147.7123-159.122.1000121.5
383Q31.8Very low32.7Very low169 Ų169146.1 Ų146.179%0.7975%0.75SS**  trans48.1115.6158.8-89.6159.662.500121.2
384A31.4Very low32.7Very low95 Ų95147.7 Ų147.779%0.78575%0.753SS**  trans-111.3130.6149.900000109.6
385Q34.2Very low32.6Very low196 Ų196144.6 Ų144.692%0.91676%0.755SS**  trans-159.2162.9146.8-94.9-145.8-18.200110.1
386P49.4Very low32.5Very low107 Ų107143.2 Ų143.270%0.69575%0.748SS**  trans-116.2-155.4-149.544-34.9000114.2
387Q27.7Very low32.6Very low170 Ų170146 Ų14679%0.79475%0.754SS**  trans97144178.2-61.2-163.625.100114.4
388Q28.3Very low32.7Very low122 Ų122145.9 Ų145.957%0.5775%0.754SS**  cis-160.2-177.70-111.3-102.932.200109.8
389H31.1Very low33.9Very low151 Ų151143.7 Ų143.770%0.69975%0.753SS**  trans72.2146.7162-56-56.7000119.2
390H30.6Very low33.9Very low146 Ų146145 Ų14568%0.67676%0.756SS**  cis-169.8-179.1-28.2-128.961.4000110.5
391F30.6Very low33.1Very low192 Ų192143.2 Ų143.284%0.84275%0.746SS**  trans82.4133.4162.7-80.1-76.2000122.9
392L32.3Very low33.1Very low150 Ų150144.1 Ų144.179%0.78575%0.751SS**  trans-91.2163.9158-132.780.7000108.7
393P45.8Very low33.2Very low118 Ų118146.2 Ų146.277%0.76676%0.761SS**  -157.4150.174.340.2-18.9000120
394Q29.8Very low33.2Very low180 Ų180144.5 Ų144.584%0.84175%0.753SS**  trans37.8114.2131.9-168.818086.700123.5
395A27.3Very low33.9Very low95 Ų95146 Ų14679%0.78576%0.755SS**  trans170.5135.8136.700000108.4
396H28Very low33.8Very low170 Ų170144.4 Ų144.479%0.78775%0.747SS**  cis88.7105.346.1-94.192.3000117
397L29.4Very low33.1Very low160 Ų160143.2 Ų143.284%0.83875%0.747SS**  trans85.3149.8150.3-74.4163000123.7
398H31.7Very low33.3Very low176 Ų176145.4 Ų145.482%0.81575%0.748SS**  trans-79.7-177.1178.6-80.7110.1000112.5
399P54.7Low33.4Very low108 Ų108146.6 Ų146.670%0.70175%0.753SS**  cis-125.1-144.69.932.8-7.7000111.8
400Q30.7Very low33.5Very low168 Ų168147 Ų14779%0.78576%0.76SS**  cis-163.1170.89.4-143.2-179-106.900107
401S30.5Very low34.3Very low76 Ų76145.5 Ų145.553%0.53176%0.763SS.*  cis-158.3168.813-35.40000111.6
402Q31.4Very low35.2Very low176 Ų176142.3 Ų142.382%0.82276%0.762SS**  trans66.7165.1156.5-69.5-175.829.300116.7
403L30.6Very low35.5Very low145 Ų145142.5 Ų142.576%0.75976%0.763SS**  cis-144.9169.3-10.2-129.1176.7000109.6
404Q30.9Very low35.5Very low134 Ų134142.4 Ų142.463%0.62676%0.762SS**  trans-160.4172.2174.7-150.2-176.647.700110.3
405P47.6Very low35.9Very low125 Ų125141.1 Ų141.181%0.81276%0.756SS**  -147.4171.1106.136.1-19000116.7
406Q31Very low36.2Very low163 Ų163144 Ų14476%0.76275%0.753SS**  trans-103.8-171.1177.3-51.9-178-21.900111.6
407A34.6Very low36.8Very low83 Ų83143 Ų14369%0.68675%0.752SS**  cis-146-137.5700000110.2
408R32.3Very low37.6Very low216 Ų216140.6 Ų140.682%0.81575%0.746SS**  cis-171.9167.64.1-131.9170.1109.6152.50.5105.9
409Q31.4Very low38.3Very low147 Ų147137.4 Ų137.469%0.68774%0.742SS**  cis-143.6-153.58.1-48.8-156.8107.200111.8
410L32.1Very low37.2Very low158 Ų158140.6 Ų140.683%0.82775%0.747SS**  trans-134.4-171.6167.8-88.5162.8000108
411P47.7Very low37.4Very low115 Ų115140.5 Ų140.575%0.74775%0.747SS**  cis-126.1-143.38.740.9-18000111.1
412P50.1Low37.8Very low126 Ų126142.8 Ų142.882%0.81876%0.76SS**  cis-133.4-159.6-6.743.4-22.6000115.7
413L38.1Very low38.1Very low154 Ų154141.3 Ų141.381%0.80676%0.756SS**  trans-161.1150.9-177.4-143.5174000111.1
414P46.1Very low38.1Very low115 Ų115143.1 Ų143.175%0.74776%0.76SS**  trans-149.3136.6138.235.5-17.4000118.7
415Q37.3Very low38.2Very low154 Ų154145.6 Ų145.672%0.7277%0.77SS**  trans28.3142137.8-49-175.59.800121.6
416H34.8Very low37.7Very low155 Ų155145.1 Ų145.172%0.71877%0.766SS**  -162.4134.356.8-93.8-98.5000116.8
417L39.6Very low38.1Very low148 Ų148142.2 Ų142.278%0.77577%0.77SS**  trans69163.6135-91.566.5000123.5
418P45.8Very low38.1Very low110 Ų110145.1 Ų145.171%0.71478%0.779SS**  trans-137.1-148.6-134.446.7-24000113.3
419P47.8Very low38.1Very low110 Ų110138.3 Ų138.371%0.71478%0.776SS**  cis-136.8-166.2-9.938.2-16000116.3
420Q30.6Very low38Very low175 Ų175136.5 Ų136.582%0.81878%0.779SS**  trans114.4156.8160.8-68.7-72-1.100118.1
421Q34.7Very low38.2Very low166 Ų166133.5 Ų133.578%0.77677%0.772SS**  trans-106.3152.1-161.8-61.5-113.3-20.600114
422P39.4Very low37.5Very low124 Ų124136.5 Ų136.581%0.80578%0.776SS**PPolyproline II helixtrans-73.4135.2166.8-11.928.5000112.1
423I36.8Very low37.5Very low144 Ų144135 Ų13574%0.73877%0.766SS**PPolyproline II helixtrans-87.3142-177.9-71.6168.6000111.2
424Q31Very low37.1Very low184 Ų184136.8 Ų136.886%0.8677%0.768SS**PPolyproline II helixtrans-73.6139.9170.2-61.3179.520.500111
425F34.1Very low36.4Very low186 Ų186137.9 Ų137.982%0.81677%0.767SS**  trans-106.8133.8162.9-76.6-84.5000110
426P37.5Very low36Very low115 Ų115139.8 Ų139.875%0.74777%0.773SS**  trans-83.7155.8-170.833.6-36.4000113.1
427A39.5Very low36Very low101 Ų101137.4 Ų137.484%0.83577%0.77SS**  trans-105.3120.8168.700000110.8
428V34.1Very low35.7Very low145 Ų145138.8 Ų138.888%0.87977%0.772SS**  trans-155.9154.4162.6-98.50000108.1
429G31Very low35.1Very low73 Ų73138.4 Ų138.475%0.75377%0.772SS**  cis-156.5-160.27.600000113.5
430S30.6Very low34.6Very low108 Ų108141.3 Ų141.376%0.75578%0.781SS**  trans-132.7145.8-159.855.60000113.9
431S35.1Very low34.9Very low96 Ų96140 Ų14067%0.67178%0.779SS**  trans52.8114.4140.864.90000121
432Q33.8Very low35Very low177 Ų177139.1 Ų139.183%0.82778%0.779SS**  trans73.1171.8147.7-51.9-66.14.400117.1
433P49.2Very low34.9Very low94 Ų94137.7 Ų137.761%0.6177%0.771SS**  -136.3-168.7-54.236.6-19.3000114.3
434F29.8Very low34.7Very low193 Ų193138.2 Ų138.285%0.84678%0.775SS**  trans94.8156.2162.5-71.6-63000122.1
435D31.1Very low34.7Very low137 Ų137132.9 Ų132.973%0.73377%0.77SS**  trans-80163-163.5-49.4-94.1000116.7
436F29.8Very low34.7Very low194 Ų194130.5 Ų130.585%0.85177%0.765SS**  171.517997.5-154.8-106.3000112.4
437V34.1Very low34.7Very low106 Ų106133.3 Ų133.364%0.64277%0.767SS**  trans-110.6134.9-167.7176.20000114.1
438Q34.3Very low34.2Very low177 Ų177131.7 Ų131.783%0.82776%0.76SS**  trans-161.2128.6144.6-104.3140.490.100107.4
439S33.7Very low34.2Very low102 Ų102134.3 Ų134.371%0.71376%0.76SS**  cis79.495.743.6-175.20000113.5
440L37.6Very low34.3Very low171 Ų171136 Ų13690%0.89576%0.76SS**  trans-158.4137.9149.7-112.3164.1000110.1
441D36.8Very low34.7Very low146 Ų146138.8 Ų138.878%0.78177%0.767SS**  trans-133.5143.2-179.5177.723.7000107.2
442L36.4Very low34.6Very low149 Ų149137 Ų13778%0.7876%0.764SS**  trans153.4143.2179.9-108.548.3000109.2
443C37.1Very low34.8Very low94 Ų94136.6 Ų136.664%0.63576%0.764SS**  cis-167.2159.3-16.9-127.20000111.1
444D33.3Very low34.2Very low154 Ų154137.7 Ų137.782%0.82477%0.774SS**  trans40.6144.2148.5-74.9-62.8000125.1
445G30.1Very low34.3Very low73 Ų73131.8 Ų131.875%0.75377%0.767SS**  trans156.7105158.300000114.8
446I34.2Very low34.5Very low136 Ų136134.4 Ų134.470%0.69778%0.78SS**  trans-130154-174.7-48.1179.3000111.8
447H37.4Very low34.7Very low174 Ų174129.2 Ų129.281%0.80678%0.782SS**  trans86.3144.3170-42.893.7000116.7
448G29.8Very low34.6Very low66 Ų66131.2 Ų131.268%0.6879%0.789SS**  cis164.4166.9-11.100000115.5
449F32.5Very low34.7Very low200 Ų200130.4 Ų130.488%0.87779%0.789SS**  trans75148.2156.7-74.8-83.1000125.3
450S34.2Very low34.5Very low108 Ų108129.4 Ų129.476%0.75580%0.795SS**  trans59.3114.4155.457.50000120.8
451D38.1Very low34.1Very low167 Ų167124.4 Ų124.489%0.89378%0.784SS**  90.3147.454.4-167.529000115.1
452G33.1Very low33.9Very low60 Ų60125.8 Ų125.862%0.61979%0.791SS**  trans111.4139.517000000115.8
453M38.5Very low33.7Very low167 Ų167125.5 Ų125.582%0.82379%0.79SS**  cis171.1158-17.2-121.2176.659.900106.8
454S35.6Very low33.6Very low118 Ų118126.6 Ų126.683%0.82579%0.794SS**  trans79.1143.7168.7-32.90000118.3
455G33.8Very low33.5Very low68 Ų68128.3 Ų128.370%0.70180%0.797SS**  cis158.6158.9-12.400000116
456L34.2Very low33.7Very low192 Ų192127.9 Ų127.9100%1.00579%0.793SS**  trans73.1140.5162.9-60.2166.3000120.1
457G34.1Very low33.9Very low86 Ų86133.9 Ų133.989%0.88781%0.807SS**  trans149.461.8165.600000117.6
458D33Very low33.9Very low147 Ų147136 Ų13679%0.78681%0.808SS**  trans-115.1150.1169174.543000111.1
459L35.7Very low34Very low161 Ų161136.2 Ų136.284%0.84381%0.81SS**  trans163.9111.2143.7-93.3167.7000113.1
460G29.8Very low34.1Very low80 Ų80134 Ų13483%0.82580%0.802SS**  trans53.3156146.800000121.7
461G28Very low34.7Very low66 Ų66137.5 Ų137.568%0.6881%0.811SS**  cis163.1168.4-0.300000110.3
462L33.2Very low34.4Very low176 Ų176133 Ų13392%0.92181%0.805SS**  trans73.2142.1-172.5-46.8176000114.3
463D32Very low34.2Very low142 Ų142139.2 Ų139.276%0.75982%0.815SS**  cis-151.8148.6-16.158.4-25.6000114.8
464V35.3Very low34.4Very low118 Ų118137.2 Ų137.272%0.71581%0.807SS**  trans13128.4136.9178.30000116.8
465Q31.9Very low34.5Very low189 Ų189139 Ų13988%0.88380%0.804SS**  cis-161.3155.229.5-152.4162-41.500111.3
466G32.7Very low34.7Very low65 Ų65144.2 Ų144.267%0.6781%0.812SS**SBendtrans158.6-6.9143.100000125.8
467R40Very low34.7Very low261 Ų261140.8 Ų140.899%0.98580%0.795SS**  trans-156.1133.6154.9-72.3-152.9-161.2-73.3-1.5111.9
468R35.6Very low34.8Very low220 Ų220145.4 Ų145.483%0.8379%0.794SS**  trans-120153.3174.9-166.5-143.3-78.7-103.61.7106.6E470R468-E470 WeakPolarHBondContact CD-OE1 3.47Å; R468-E470 HydrophobicContact CG-CG 4.25Å; R468-E470 IonicContact NH1-OE1 2.78Å; R468-E470 PolarHBondContact NH1-OE1 3.14Å
469G33Very low35.3Very low70 Ų70143.3 Ų143.372%0.72279%0.788SS**  cis178.9-165-6.500000107.1
470E34.1Very low35.9Very low152 Ų152144 Ų14471%0.7179%0.792SS**  cis-143.6165.5-0.4-67.4-174.8149.200109.1R468R468-E470 WeakPolarHBondContact CD-OE1 3.47Å; R468-E470 HydrophobicContact CG-CG 4.25Å; R468-E470 IonicContact NH1-OE1 2.78Å; R468-E470 PolarHBondContact NH1-OE1 3.14Å
471L46.7Very low36.2Very low183 Ų183145.5 Ų145.596%0.95879%0.79SS**  trans-121.7142.6167.2-86.8170.9000109.1
472G31.4Very low37.1Very low73 Ų73147.7 Ų147.775%0.75379%0.791SS**  trans118.4111.2156.300000116.7
473F30.5Very low37.6Very low189 Ų189148.3 Ų148.383%0.82979%0.792SS**  trans-145.5147.6133.6-145.6-106000110.1
474L41.1Very low37.8Very low125 Ų125146.3 Ų146.365%0.65480%0.795SS**  trans-27.8133.8-172-75.455.9000116.5
475M38.5Very low38Very low157 Ų157144.2 Ų144.277%0.77380%0.797SS**  58.9105.465.2-71.4-160.772.700115.1
476M38.7Very low38Very low177 Ų177143.1 Ų143.187%0.87280%0.797SS**  trans-153.9155.8140.8-93.2-56.4158.400108.8
477D33.6Very low38.8Very low120 Ų120144.7 Ų144.764%0.64280%0.796SS**  trans-90.1154.8-154.7-47.9-65.1000116.2
478E36.3Very low38.6Very low183 Ų183140.3 Ų140.386%0.85579%0.791SS**  trans54.3153.9130.1-163166.8167.600121.3
479P43.1Very low38.9Very low102 Ų102138 Ų13866%0.66279%0.794SS**  cis-118.1173.9-917.66.2000115.1
480L48.2Very low38.9Very low176 Ų176140.7 Ų140.792%0.92180%0.802SS**  trans-77.2123.5163-70.9169.2000111
481S36.6Very low38.8Very low112 Ų112138.2 Ų138.278%0.78381%0.808SS**  trans-158.3164.8171.3-93.80000112.2
482P46.2Very low38.1Very low111 Ų111138 Ų13872%0.72180%0.804SS**  trans-110.4170.3-138.640.7-37.7000116.2A484P482-A484 PolarHBondContact O-N 3.14Å
483M44.9Very low38.5Very low190 Ų190140 Ų14094%0.93681%0.807SS**  trans36.481.4143.9-163.573.577.800117.1
484A34.7Very low39.3Very low99 Ų99137 Ų13782%0.81881%0.806SS**  trans-137140.5156.700000109.5P482P482-A484 PolarHBondContact O-N 3.14Å
485G39.4Very low39.2Very low74 Ų74140.2 Ų140.276%0.76382%0.818SS**  cis117.449.71.300000113.2
486D32.7Very low39.2Very low166 Ų166137.2 Ų137.289%0.88882%0.818SS**  trans-71148.4176.7-138.431000110.7
487P49.1Very low39Very low98 Ų98134.5 Ų134.564%0.63682%0.816SS**SBendtrans-94.4172.5-13834.9-39.9000117.3
488L36.1Very low39.8Very low170 Ų170135.4 Ų135.489%0.8983%0.826SS**  trans84.548.6169.3-49.1-174.2000117.7
489L41.7Very low39.6Very low171 Ų171134.3 Ų134.390%0.89583%0.826SS**  trans-82.5125.9144.8-69.5175.8000110.1
490S33.5Very low39.4Very low126 Ų126134 Ų13488%0.88183%0.826SS**  trans-176.898.8150.8-86.60000113.4
491A32.9Very low38.7Very low101 Ų101130.7 Ų130.784%0.83582%0.818SS**  trans-164.399.1151.400000107.8
492M30.8Very low39.1Very low178 Ų178135.9 Ų135.988%0.87782%0.82SS**PPolyproline II helixtrans-66.4143.1-168.5-54108.67200113.5
493S40.6Very low39Very low116 Ų116142.3 Ų142.381%0.81183%0.83SS**PPolyproline II helixtrans-71.9130.5147.7-65.10000109
494P47.4Very low38.8Very low126 Ų126138 Ų13882%0.81882%0.819SS**PPolyproline II helixtrans-83.5120.416731.6-29.8000110
495E38.2Very low39Very low192 Ų192138.7 Ų138.790%0.89782%0.817SS**PPolyproline II helixtrans-83.7173.7162.9-154.5164.9142.800110.2
496A38.1Very low38.9Very low94 Ų94144.8 Ų144.878%0.77782%0.823SS**PPolyproline II helixtrans-64.4142-168.100000113.7
497S36Very low39.2Very low119 Ų119141.7 Ų141.783%0.83281%0.814SS**  trans-117.2129.7158.4-176.50000108.9
498V49.1Very low39.5Very low139 Ų139145.1 Ų145.184%0.84283%0.826SS**  trans-120.6107.9174.2-81.30000108.9
499D32.5Very low40.2Very low161 Ų161145.1 Ų145.186%0.86182%0.821SS**  trans-147162.3152.5-162.617.7000111
500S38.3Very low40.4Very low96 Ų96145 Ų14567%0.67182%0.821SS**  trans-100.8138.5-165.2178.40000113
501S34.4Very low40.7Very low105 Ų105141.9 Ų141.973%0.73481%0.809SS**  trans-154.698141.2-154.50000114.6
502R45.4Very low41.4Very low221 Ų221145 Ų14583%0.83481%0.812SS**  trans50.4137.3131.5-61.3174.2177.7-98.2-2.4120.6
503R44.2Very low42.2Very low246 Ų246144 Ų14493%0.92881%0.809SS**  trans75.9139.9177.9-63.2172.7158.8-107.80.3113.9
504S39Very low42.2Very low100 Ų100151.3 Ų151.370%0.69983%0.833SS**  cis-133.4125.92.1-161.80000111.5
505S40Very low42Very low113 Ų113152.6 Ų152.679%0.7983%0.834SS**  trans-79.3138.1163.6-46.10000109.4
506F37.8Very low42.1Very low203 Ų203150.5 Ų150.589%0.8983%0.83SS**  trans-140.5100.7148.7-112.1-77.4000107.3
507S37.9Very low42.4Very low100 Ų100153.6 Ų153.670%0.69983%0.833SS**  trans-83.9149.2161.4-1680000108.1
508I54.9Low42.7Very low171 Ų171155.6 Ų155.688%0.87783%0.833SS**  trans-140.7113.5155.2-170165.4000107.1
509E50.8Low42.4Very low170 Ų170156.7 Ų156.779%0.79483%0.833SS**  trans-140.2126.9174.5-179.7160.5-161.200109.1
510D46.1Very low43Very low168 Ų168156.4 Ų156.490%0.89883%0.831SS**  trans59.1159.3163.2-153.922.9000119.6
511G41.1Very low43.3Very low61 Ų61160.7 Ų160.763%0.62984%0.842SS**  trans112.972.9172.900000114.8
512D46.5Very low44Very low165 Ų165165 Ų16588%0.88285%0.851SS**  -148.5129.4129.7-123.4-22.8000111.8
513I47Very low43.9Very low159 Ų159160.3 Ų160.382%0.81585%0.852SS**  trans-117.4113.8176.5-67.9173000107.2
514M41.7Very low43.9Very low268 Ų268152.5 Ų152.5100%1.3285%0.845SS**  trans-162.50146.4-82.4-131.3175.100110.6

Retrieved 514 of 514 residues in 310.7 ms (Link to these results)