A0A087X818_POEFO Loading...

Tropomodulin 4 (muscle)

AlphaFold DB , UniProt , Accession A0A087X818, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 341 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
1A42.6Very low64.7Low156 Ų156132.1 Ų132.1100%1.28973%0.726SS**  0109.6000000106.8
2M49.1Very low66.1Low198 Ų198125.7 Ų125.798%0.97570%0.703SS**PPolyproline II helixtrans-79.1122176.2-68.9173.410000107.1
3S62Low67.2Low106 Ų106123.1 Ų123.174%0.74169%0.685SS**PPolyproline II helixtrans-60.8139.9177.147.80000110.4P5S3-P5 WeakPolarHBondContact O-CD 3.36Å
4D62.3Low68.1Low74 Ų74119.6 Ų119.640%0.39666%0.664SS.*PPolyproline II helixtrans-55120.5173.1-171.5-25.9000109R6 N7D4-R6 PolarHBondContact O-N 2.79Å; D4-R6 WeakPolarHBondContact OD1-CB 3.49Å; D4-R6 IonicContact OD1-CZ 3.6Å; D4-R6 PolarHBondContact OD1-N 2.8Å; D4-R6 VanDerWaalsContact OD1-N 3.14Å; D4-R6 IonicContact OD1-NE 3.56Å; D4-R6 PolarHBondContact OD1-NE 2.81Å; D4-R6 IonicContact OD1-NH2 2.81Å; D4-R6 IonicContact OD2-CZ 2.79Å; D4-R6 IonicContact OD2-NE 3.57Å; D4-R6 IonicContact OD2-NH2 3.74Å; D4-R6 PolarHBondContact OD2-NH2 3Å; D4-N7 PolarHBondContact O-N 3.14Å
5P59.3Low69.1Low104 Ų104123.5 Ų123.568%0.67567%0.671SS**THydrogen-bonded Turntrans-65.2-5.6-176.324.6-33.1000114.1S3 I8S3-P5 WeakPolarHBondContact O-CD 3.36Å; P5-I8 WeakPolarHBondContact O-CD1 3.48Å
6R63Low70.1Confident211 Ų211119.8 Ų119.880%0.79667%0.671SS**THydrogen-bonded Turntrans-90.6-1.9174.1-62.3171-66.8176.44.6113.8D4D4-R6 PolarHBondContact O-N 2.79Å; D4-R6 WeakPolarHBondContact OD1-CB 3.49Å; D4-R6 IonicContact OD1-CZ 3.6Å; D4-R6 PolarHBondContact OD1-N 2.8Å; D4-R6 VanDerWaalsContact OD1-N 3.14Å; D4-R6 IonicContact OD1-NE 3.56Å; D4-R6 PolarHBondContact OD1-NE 2.81Å; D4-R6 IonicContact OD1-NH2 2.81Å; D4-R6 IonicContact OD2-CZ 2.79Å; D4-R6 IonicContact OD2-NE 3.57Å; D4-R6 IonicContact OD2-NH2 3.74Å; D4-R6 PolarHBondContact OD2-NH2 3Å
7N65.1Low71.1Confident147 Ų147115.7 Ų115.779%0.78665%0.647SS**  trans-112.950.3-176.7-138.65000109.9D4D4-N7 PolarHBondContact O-N 3.14Å
8I73.3Confident72.2Confident101 Ų101112.4 Ų112.452%0.51863%0.633SS.*  trans-92.6128.1176.9-63.2174.2000107.4P5 E10 I13P5-I8 WeakPolarHBondContact O-CD1 3.48Å; I8-E10 PolarHBondContact O-N 3.34Å; I8-E10 VanDerWaalsContact O-N 3.12Å; I8-I13 HydrophobicContact CG2-CD1 3.33Å
9D79.4Confident72.8Confident103 Ų103110.9 Ų110.955%0.55164%0.636SS**  trans-79.990.4175.4-174.1-14000109.3D11 A12 I13D9-D11 VanDerWaalsContact C-N 3.27Å; D9-D11 PolarHBondContact O-N 2.93Å; D9-D11 PolarHBondContact OD1-N 3.42Å; D9-A12 HydrophobicContact CB-CB 3.98Å; D9-A12 VanDerWaalsContact CG-CB 3.48Å; D9-A12 PolarHBondContact O-N 2.99Å; D9-A12 PolarHBondContact OD1-N 3.42Å; D9-A12 VanDerWaalsContact OD1-N 3.1Å; D9-I13 PolarHBondContact O-N 2.95Å
10E75.9Confident73.4Confident145 Ų145113.8 Ų113.868%0.67864%0.641SS**Hα-helixtrans-60.3-36.7-177.4-63.7176.7-179.700111.9I8 A12 I13 L14I8-E10 PolarHBondContact O-N 3.34Å; I8-E10 VanDerWaalsContact O-N 3.12Å; E10-A12 PolarHBondContact O-N 3.23Å; E10-I13 PolarHBondContact O-N 2.9Å; E10-L14 WeakPolarHBondContact O-CG 3.39Å; E10-L14 PolarHBondContact O-N 3.43Å
11D79.2Confident73.9Confident108 Ų108113 Ų11358%0.57863%0.632SS**Hα-helixtrans-68.8-35.4179.7-77-29.5000112.4D9 K15D9-D11 VanDerWaalsContact C-N 3.27Å; D9-D11 PolarHBondContact O-N 2.93Å; D9-D11 PolarHBondContact OD1-N 3.42Å; D11-K15 WeakPolarHBondContact O-CG 3.49Å; D11-K15 PolarHBondContact O-N 3.47Å
12A82.4Confident75.9Confident55 Ų55108.8 Ų108.846%0.45559%0.588SS.*Hα-helixtrans-68.1-36.6174.300000112D9 E10 G16D9-A12 HydrophobicContact CB-CB 3.98Å; D9-A12 VanDerWaalsContact CG-CB 3.48Å; D9-A12 PolarHBondContact O-N 2.99Å; D9-A12 PolarHBondContact OD1-N 3.42Å; D9-A12 VanDerWaalsContact OD1-N 3.1Å; E10-A12 PolarHBondContact O-N 3.23Å; A12-G16 PolarHBondContact O-N 3.05Å
13I79.8Confident77.5Confident92 Ų92105 Ų10547%0.47257%0.567SS.*Hα-helixtrans-69-47.9176.9-66.1173.9000110.3I8 D9 E10 K15 G16 L17I8-I13 HydrophobicContact CG2-CD1 3.33Å; D9-I13 PolarHBondContact O-N 2.95Å; E10-I13 PolarHBondContact O-N 2.9Å; I13-K15 VanDerWaalsContact C-N 3.29Å; I13-K15 PolarHBondContact O-N 3.3Å; I13-G16 PolarHBondContact O-N 3.02Å; I13-L17 PolarHBondContact O-N 2.92Å
14L79.9Confident78.4Confident74 Ų74105.5 Ų105.539%0.38756%0.558SS.*Hα-helixtrans-60.3-37.1-179.7-72.7171.8000112.7E10 G16 L17 L22 L25E10-L14 WeakPolarHBondContact O-CG 3.39Å; E10-L14 PolarHBondContact O-N 3.43Å; L14-G16 VanDerWaalsContact C-N 3.27Å; L14-G16 PolarHBondContact O-N 3.06Å; L14-L17 HydrophobicContact CD2-CD1 4.22Å; L14-L17 PolarHBondContact O-N 3.28Å; L14-L22 HydrophobicContact CD2-CD2 4.13Å; L14-L25 HydrophobicContact CD2-CD2 3.81Å
15K83.8Confident79.4Confident178 Ų178105 Ų10577%0.77456%0.555SS**Hα-helixtrans-69.7-22174.9-75172.8-173.9163.20113.8D11 I13D11-K15 WeakPolarHBondContact O-CG 3.49Å; D11-K15 PolarHBondContact O-N 3.47Å; I13-K15 VanDerWaalsContact C-N 3.29Å; I13-K15 PolarHBondContact O-N 3.3Å
16G84.4Confident80.4Confident64 Ų64105.6 Ų105.666%0.6655%0.549SS*.Hα-helixtrans-85.2-15.617900000114.1A12 I13 L14A12-G16 PolarHBondContact O-N 3.05Å; I13-G16 PolarHBondContact O-N 3.02Å; L14-G16 VanDerWaalsContact C-N 3.27Å; L14-G16 PolarHBondContact O-N 3.06Å
17L86.6Confident81.1Confident51 Ų51100.9 Ų100.927%0.26753%0.532SS..SBendtrans-76.8139.2-179.4-66.4172.6000111.3I13 L14 E21 L22 L25I13-L17 PolarHBondContact O-N 2.92Å; L14-L17 HydrophobicContact CD2-CD1 4.22Å; L14-L17 PolarHBondContact O-N 3.28Å; L17-E21 HydrophobicContact CB-CB 4.2Å; L17-E21 HydrophobicContact CD2-CB 3.97Å; L17-L22 HydrophobicContact CB-CD1 4.47Å; L17-L22 HydrophobicContact CB-CD2 4.17Å; L17-L22 HydrophobicContact CB-CG 3.83Å; L17-L22 HydrophobicContact CD1-CD2 4.03Å; L17-L22 HydrophobicContact CD1-CG 4.46Å; L17-L25 HydrophobicContact CD1-CD2 3.93Å
18S90.8Very high81.7Confident57 Ų5798.5 Ų98.540%0.39952%0.516SS..  trans-70.8160170.568.60000111.1K20 E21 L22S18-K20 PolarHBondContact O-N 3.19Å; S18-K20 VanDerWaalsContact O-N 3.09Å; S18-E21 VanDerWaalsContact CB-OE2 3.3Å; S18-E21 WeakPolarHBondContact CB-OE2 3.37Å; S18-E21 PolarHBondContact N-OE2 3.33Å; S18-E21 PolarHBondContact O-N 3.48Å; S18-E21 VanDerWaalsContact OG-CD 3.28Å; S18-E21 WeakPolarHBondContact OG-CG 3.48Å; S18-E21 PolarHBondContact OG-OE2 3.27Å; S18-L22 PolarHBondContact O-N 3.35Å
19A85.2Confident81.9Confident84 Ų8499.1 Ų99.169%0.69452%0.52SS*.Hα-helixtrans-55.5-31.3179.300000113.5E23A19-E23 PolarHBondContact O-N 3Å; A19-E23 VanDerWaalsContact O-N 3.12Å
20K83.6Confident81.5Confident167 Ų16798.4 Ų98.473%0.72651%0.513SS*.Hα-helixtrans-72.7-38.1176-72.5-175.6176-177.50112.7S18 E23 Q24S18-K20 PolarHBondContact O-N 3.19Å; S18-K20 VanDerWaalsContact O-N 3.09Å; K20-E23 PolarHBondContact O-N 3.3Å; K20-Q24 PolarHBondContact O-N 3.18Å
21E84.1Confident81.1Confident97 Ų9796.7 Ų96.745%0.45351%0.505SS..Hα-helixtrans-73.5-33178.9-68162.6140.500111.2L17 S18 Q24 L25L17-E21 HydrophobicContact CB-CB 4.2Å; L17-E21 HydrophobicContact CD2-CB 3.97Å; S18-E21 VanDerWaalsContact CB-OE2 3.3Å; S18-E21 WeakPolarHBondContact CB-OE2 3.37Å; S18-E21 PolarHBondContact N-OE2 3.33Å; S18-E21 PolarHBondContact O-N 3.48Å; S18-E21 VanDerWaalsContact OG-CD 3.28Å; S18-E21 WeakPolarHBondContact OG-CG 3.48Å; S18-E21 PolarHBondContact OG-OE2 3.27Å; E21-Q24 PolarHBondContact O-N 2.88Å; E21-L25 WeakPolarHBondContact O-CB 3.43Å; E21-L25 PolarHBondContact O-N 3.35Å
22L84.4Confident80.4Confident69 Ų6998.7 Ų98.736%0.36151%0.513SS..Hα-helixtrans-64.3-44.3169.9-76.4164.7000112L14 L17 S18 Q24 L25 E26L14-L22 HydrophobicContact CD2-CD2 4.13Å; L17-L22 HydrophobicContact CB-CD1 4.47Å; L17-L22 HydrophobicContact CB-CD2 4.17Å; L17-L22 HydrophobicContact CB-CG 3.83Å; L17-L22 HydrophobicContact CD1-CD2 4.03Å; L17-L22 HydrophobicContact CD1-CG 4.46Å; S18-L22 PolarHBondContact O-N 3.35Å; L22-Q24 VanDerWaalsContact C-N 3.28Å; L22-Q24 PolarHBondContact O-N 3.07Å; L22-L25 PolarHBondContact O-N 2.83Å; L22-E26 WeakPolarHBondContact O-CB 3.22Å; L22-E26 PolarHBondContact O-N 3.4Å
23E82.6Confident79.7Confident117 Ų11799.1 Ų99.155%0.54751%0.508SS..Hα-helixtrans-61.4-37.9175.7-170179.2-174.500111.3A19 K20 Y27 K50A19-E23 PolarHBondContact O-N 3Å; A19-E23 VanDerWaalsContact O-N 3.12Å; K20-E23 PolarHBondContact O-N 3.3Å; E23-Y27 WeakPolarHBondContact O-CB 3.4Å; E23-Y27 PolarHBondContact O-N 3.19Å; E23-K50 IonicContact OE1-NZ 3.84Å
24Q82.3Confident78.9Confident118 Ų11899.7 Ų99.755%0.55152%0.517SS*.Hα-helixtrans-72.8-37.6176.3-173.8162.7-7.700113K20 E21 L22 Y27 E28K20-Q24 PolarHBondContact O-N 3.18Å; E21-Q24 PolarHBondContact O-N 2.88Å; L22-Q24 VanDerWaalsContact C-N 3.28Å; L22-Q24 PolarHBondContact O-N 3.07Å; Q24-Y27 VanDerWaalsContact O-CB 3.31Å; Q24-Y27 WeakPolarHBondContact O-CB 3.32Å; Q24-Y27 PolarHBondContact O-N 3.39Å; Q24-E28 PolarHBondContact O-N 2.83Å
25L82.4Confident78.1Confident62 Ų62103.2 Ų103.233%0.32553%0.532SS..Hα-helixtrans-65.2-41.5174.9-176.765.4000111.4L14 L17 E21 L22 Y27 E28 L29L14-L25 HydrophobicContact CD2-CD2 3.81Å; L17-L25 HydrophobicContact CD1-CD2 3.93Å; E21-L25 WeakPolarHBondContact O-CB 3.43Å; E21-L25 PolarHBondContact O-N 3.35Å; L22-L25 PolarHBondContact O-N 2.83Å; L25-Y27 VanDerWaalsContact C-N 3.29Å; L25-Y27 PolarHBondContact O-N 3.33Å; L25-E28 PolarHBondContact O-N 3.46Å; L25-L29 HydrophobicContact CG-CD1 4.22Å; L25-L29 WeakPolarHBondContact O-CB 3.28Å; L25-L29 WeakPolarHBondContact O-CG 3.39Å; L25-L29 PolarHBondContact O-N 2.92Å
26E81Confident77.3Confident117 Ų11796.7 Ų96.755%0.54751%0.505SS..Hα-helixtrans-62.1-38.2172.8-173.1177.5-172.400111.5L22 Q30L22-E26 WeakPolarHBondContact O-CB 3.22Å; L22-E26 PolarHBondContact O-N 3.4Å; E26-Q30 PolarHBondContact O-N 3.33Å
27Y77.3Confident76.4Confident113 Ų11396.7 Ų96.744%0.44350%0.499SS..Hα-helixtrans-58.6-50.2173.9179.2-86.6000111.7E23 Q24 L25 E31 R46E23-Y27 WeakPolarHBondContact O-CB 3.4Å; E23-Y27 PolarHBondContact O-N 3.19Å; Q24-Y27 VanDerWaalsContact O-CB 3.31Å; Q24-Y27 WeakPolarHBondContact O-CB 3.32Å; Q24-Y27 PolarHBondContact O-N 3.39Å; L25-Y27 VanDerWaalsContact C-N 3.29Å; L25-Y27 PolarHBondContact O-N 3.33Å; Y27-E31 HydrophobicContact CE1-CG 4.19Å; Y27-E31 WeakPolarHBondContact CE1-OE1 3.21Å; Y27-E31 VanDerWaalsContact CZ-OE1 3.24Å; Y27-E31 PolarHBondContact O-N 3.5Å; Y27-E31 PolarHBondContact OH-OE1 3.31Å; Y27-R46 PolarHBondContact O-NH1 3.35Å; Y27-R46 PolarHBondContact O-NH2 2.92Å
28E77.2Confident75.7Confident96 Ų96102.3 Ų102.345%0.44953%0.526SS..Hα-helixtrans-68.4-40.5-178-71.2177.3-170.900112.6Q24 L25 Q30 E31 M32Q24-E28 PolarHBondContact O-N 2.83Å; L25-E28 PolarHBondContact O-N 3.46Å; E28-Q30 VanDerWaalsContact C-N 3.31Å; E28-Q30 PolarHBondContact O-N 2.92Å; E28-E31 PolarHBondContact O-N 3.29Å; E28-E31 VanDerWaalsContact O-N 3.07Å; E28-M32 WeakPolarHBondContact O-CG 3.4Å; E28-M32 PolarHBondContact O-N 3.48Å
29L77Confident74.5Confident115 Ų115103 Ų10360%0.60253%0.525SS*.Hα-helixtrans-59.5-39.7178.3-80.6171.6000112.7L25 E31 M32 D33L25-L29 HydrophobicContact CG-CD1 4.22Å; L25-L29 WeakPolarHBondContact O-CB 3.28Å; L25-L29 WeakPolarHBondContact O-CG 3.39Å; L25-L29 PolarHBondContact O-N 2.92Å; L29-E31 VanDerWaalsContact C-N 3.34Å; L29-M32 PolarHBondContact O-N 3.38Å; L29-D33 PolarHBondContact O-N 3.1Å
30Q70.9Confident73.8Confident88 Ų88103 Ų10341%0.41152%0.517SS..Hα-helixtrans-72.9-22.9177-76.6176.74.700113.1E26 E28 N36 R46E26-Q30 PolarHBondContact O-N 3.33Å; E28-Q30 VanDerWaalsContact C-N 3.31Å; E28-Q30 PolarHBondContact O-N 2.92Å; Q30-N36 PolarHBondContact O-ND2 3.37Å; Q30-R46 VanDerWaalsContact OE1-CZ 3.28Å
31E67.9Low73Confident109 Ų10998.8 Ų98.851%0.50951%0.514SS..Hα-helixtrans-79.4-29.5173.4-69-162.7157.200111Y27 E28 L29 D33Y27-E31 HydrophobicContact CE1-CG 4.19Å; Y27-E31 WeakPolarHBondContact CE1-OE1 3.21Å; Y27-E31 VanDerWaalsContact CZ-OE1 3.24Å; Y27-E31 PolarHBondContact O-N 3.5Å; Y27-E31 PolarHBondContact OH-OE1 3.31Å; E28-E31 PolarHBondContact O-N 3.29Å; E28-E31 VanDerWaalsContact O-N 3.07Å; L29-E31 VanDerWaalsContact C-N 3.34Å; E31-D33 VanDerWaalsContact C-N 3.27Å
32M64.1Low72Confident149 Ų14997.3 Ų97.373%0.73453%0.525SS*.SBendtrans-84.72.3177.6-66.6-95.558.300113.5E28 L29 P34E28-M32 WeakPolarHBondContact O-CG 3.4Å; E28-M32 PolarHBondContact O-N 3.48Å; L29-M32 PolarHBondContact O-N 3.38Å; M32-P34 WeakPolarHBondContact O-CD 3.21Å
33D68.4Low71Confident65 Ų65100.5 Ų100.535%0.34854%0.54SS..  trans-61.9119177.2-171.1-21000110.5L29 E31 E35 N36L29-D33 PolarHBondContact O-N 3.1Å; E31-D33 VanDerWaalsContact C-N 3.27Å; D33-E35 PolarHBondContact O-N 3.39Å; D33-E35 VanDerWaalsContact O-N 3.14Å; D33-E35 PolarHBondContact OD1-N 3.12Å; D33-N36 HydrophobicContact CB-CB 4.36Å; D33-N36 WeakPolarHBondContact O-CB 3.25Å; D33-N36 PolarHBondContact O-N 3.36Å
34P62.7Low70.4Confident104 Ų104100.9 Ų100.968%0.67554%0.536SS*.THydrogen-bonded Turntrans-59.6-22.9179.622.4-32.1000113.6M32M32-P34 WeakPolarHBondContact O-CD 3.21Å
35E64.3Low69.4Low147 Ų147102 Ų10269%0.68754%0.541SS*.THydrogen-bonded Turntrans-72.8-30.5175.3-63.1-167.4165.200112.4D33 A37 M38D33-E35 PolarHBondContact O-N 3.39Å; D33-E35 VanDerWaalsContact O-N 3.14Å; D33-E35 PolarHBondContact OD1-N 3.12Å; E35-A37 VanDerWaalsContact C-N 3.26Å; E35-A37 PolarHBondContact O-N 3.32Å; E35-M38 WeakPolarHBondContact O-CB 3.48Å; E35-M38 PolarHBondContact O-N 2.7Å; E35-M38 VanDerWaalsContact O-N 3.09Å
36N66.3Low68.5Low42 Ų42102.3 Ų102.323%0.22554%0.538CS..G310 helixtrans-65.3-29.1177.1-110.8-21.5000112.4Q30 D33 M38 L39Q30-N36 PolarHBondContact O-ND2 3.37Å; D33-N36 HydrophobicContact CB-CB 4.36Å; D33-N36 WeakPolarHBondContact O-CB 3.25Å; D33-N36 PolarHBondContact O-N 3.36Å; N36-M38 PolarHBondContact O-N 3.27Å; N36-L39 PolarHBondContact O-N 2.93Å
37A66.3Low67.6Low64 Ų64102.7 Ų102.753%0.52954%0.544SS..G310 helixtrans-66.9-20.9175.600000113.2E35 R44E35-A37 VanDerWaalsContact C-N 3.26Å; E35-A37 PolarHBondContact O-N 3.32Å; A37-R44 PolarHBondContact O-NH2 3.41Å
38M71.1Confident67Low169 Ų169105.2 Ų105.283%0.83356%0.56SS**G310 helixtrans-87.8-14.9179.6-61.5-70-95.800112.9E35 N36E35-M38 WeakPolarHBondContact O-CB 3.48Å; E35-M38 PolarHBondContact O-N 2.7Å; E35-M38 VanDerWaalsContact O-N 3.09Å; N36-M38 PolarHBondContact O-N 3.27Å
39L66.1Low66.2Low72 Ų72103.8 Ų103.838%0.37756%0.558SS.*SBendtrans-80148.6178.1-67.6172.7000111.6N36 M43 R44N36-L39 PolarHBondContact O-N 2.93Å; L39-M43 HydrophobicContact CB-CB 4.36Å; L39-R44 HydrophobicContact CB-CG 4.36Å; L39-R44 VanDerWaalsContact O-CZ 3.24Å; L39-R44 PolarHBondContact O-NE 3.08Å; L39-R44 PolarHBondContact O-NH2 3.48Å
40P69.6Low66Low82 Ų82107.7 Ų107.753%0.53257%0.57SS.*  trans-59148.4172-2434.1000112.3G42 M43 R44P40-G42 PolarHBondContact O-N 2.9Å; P40-M43 HydrophobicContact CG-SD 4.37Å; P40-M43 PolarHBondContact O-N 3.33Å; P40-R44 PolarHBondContact O-N 3.15Å
41A67.1Low66.1Low79 Ų79111.6 Ų111.665%0.65359%0.585SS**G310 helixtrans-51.9-36.5-171.900000114.8M43 R44A41-M43 VanDerWaalsContact C-N 3.31Å; A41-M43 PolarHBondContact O-N 3.25Å; A41-R44 PolarHBondContact O-N 2.98Å
42G62.1Low66.4Low67 Ų67110.8 Ų110.869%0.69159%0.592SS**G310 helixtrans-72-19.7177.600000114.9P40P40-G42 PolarHBondContact O-N 2.9Å
43M65.1Low66.9Low135 Ų135109.8 Ų109.867%0.66560%0.596SS**G310 helixtrans-95.3-6.3177.1-67.5-179.8167.800112.8L39 P40 A41 Q45L39-M43 HydrophobicContact CB-CB 4.36Å; P40-M43 HydrophobicContact CG-SD 4.37Å; P40-M43 PolarHBondContact O-N 3.33Å; A41-M43 VanDerWaalsContact C-N 3.31Å; A41-M43 PolarHBondContact O-N 3.25Å; M43-Q45 VanDerWaalsContact C-N 3.33Å
44R68.9Low67.1Low126 Ų126113.7 Ų113.748%0.47562%0.623SS.*SBendtrans-79.6-18.3172.9-59.6178.4-168.4-167.2-6.6112.6A37 L39 P40 A41 R46A37-R44 PolarHBondContact O-NH2 3.41Å; L39-R44 HydrophobicContact CB-CG 4.36Å; L39-R44 VanDerWaalsContact O-CZ 3.24Å; L39-R44 PolarHBondContact O-NE 3.08Å; L39-R44 PolarHBondContact O-NH2 3.48Å; P40-R44 PolarHBondContact O-N 3.15Å; A41-R44 PolarHBondContact O-N 2.98Å; R44-R46 PolarHBondContact O-N 3.19Å
45Q62.1Low67.8Low140 Ų140111.2 Ų111.265%0.65462%0.616SS**  trans-78.4116.6-176.3-172.1171.1-0.300109.6M43M43-Q45 VanDerWaalsContact C-N 3.33Å
46R63.5Low68.5Low70 Ų70110.4 Ų110.426%0.26462%0.623SS.*  trans-67.7155.7174.1-66-165.9-162.3156.329.4111.4Y27 Q30 R44 Q48Y27-R46 PolarHBondContact O-NH1 3.35Å; Y27-R46 PolarHBondContact O-NH2 2.92Å; Q30-R46 VanDerWaalsContact OE1-CZ 3.28Å; R44-R46 PolarHBondContact O-N 3.19Å; R46-Q48 PolarHBondContact O-N 3.28Å; R46-Q48 VanDerWaalsContact O-N 3.11Å
47D62.4Low69.2Low125 Ų125115.9 Ų115.967%0.66865%0.646SS**  trans-65.6107.5168.4-166.3-6.4000109.6T49D47-T49 PolarHBondContact O-N 3.47Å; D47-T49 WeakPolarHBondContact OD1-CG2 3.49Å; D47-T49 PolarHBondContact OD1-N 3.25Å
48Q63.4Low70Confident165 Ų165117.4 Ų117.477%0.77165%0.645SS**  trans-82.83.8-177.1-63.8179.228.300112.5R46R46-Q48 PolarHBondContact O-N 3.28Å; R46-Q48 VanDerWaalsContact O-N 3.11Å
49T61.8Low70.7Confident67 Ų67117.3 Ų117.341%0.41164%0.635SS.*  trans-112.2128-177.9165.70000112.6D47 K51D47-T49 PolarHBondContact O-N 3.47Å; D47-T49 WeakPolarHBondContact OD1-CG2 3.49Å; D47-T49 PolarHBondContact OD1-N 3.25Å; T49-K51 PolarHBondContact O-N 2.81Å; T49-K51 WeakPolarHBondContact OG1-CA 3.09Å; T49-K51 WeakPolarHBondContact OG1-CB 3.45Å; T49-K51 WeakPolarHBondContact OG1-CG 3.46Å; T49-K51 PolarHBondContact OG1-N 3.5Å
50K71.2Confident71.8Confident197 Ų197120.4 Ų120.486%0.85765%0.648SS**  trans-77.9-1.6167.6-60.5-173178.5-168.60112.6E23E23-K50 IonicContact OE1-NZ 3.84Å
51K73.9Confident72.5Confident169 Ų169118.9 Ų118.974%0.73564%0.642SS**SBendtrans-81.9129.7-180-54.7178.1-179.7177.10109.2T49T49-K51 PolarHBondContact O-N 2.81Å; T49-K51 WeakPolarHBondContact OG1-CA 3.09Å; T49-K51 WeakPolarHBondContact OG1-CB 3.45Å; T49-K51 WeakPolarHBondContact OG1-CG 3.46Å; T49-K51 PolarHBondContact OG1-N 3.5Å
52S74.8Confident73.4Confident92 Ų92118.6 Ų118.664%0.64363%0.629SS**PPolyproline II helixtrans-58.1144.5169.3520000110.6T54S52-T54 PolarHBondContact O-N 2.77Å; S52-T54 VanDerWaalsContact O-N 3.1Å
53P72.8Confident74.6Confident128 Ų128118.9 Ų118.983%0.83161%0.614SS**PPolyproline II helixtrans-52.4119.1177.6-25.833.5000111.2G55P53-G55 PolarHBondContact O-N 3.14Å
54T73.1Confident75.8Confident148 Ų148118.6 Ų118.691%0.90861%0.611SS**  trans-80.312.6-178.335.70000113.6S52S52-T54 PolarHBondContact O-N 2.77Å; S52-T54 VanDerWaalsContact O-N 3.1Å
55G78.4Confident76.7Confident51 Ų51117.9 Ų117.953%0.52661%0.613SS.*SBendtrans102.7-173.3-178.300000113.6P53P53-G55 PolarHBondContact O-N 3.14Å
56P79.1Confident78Confident130 Ų130115.1 Ų115.184%0.84460%0.603SS**SBendtrans-63.8152178.227.5-33.4000111.3D58P56-D58 PolarHBondContact O-N 3.04Å
57F79.9Confident79.3Confident158 Ų158118.3 Ų118.369%0.69362%0.62SS**  trans-60.1116.8-180174.9-105.3000111.7R59 L62F57-R59 HydrophobicContact CE1-CB 3.81Å; F57-R59 HydrophobicContact CE1-CG 4.35Å; F57-R59 HydrophobicContact CZ-CB 4.22Å; F57-L62 HydrophobicContact CE2-CD2 3.68Å; F57-L62 HydrophobicContact CZ-CD2 4.01Å
58D83.9Confident80.7Confident95 Ų95118.3 Ų118.351%0.50862%0.615SS.*  trans-104.7109.5171.1-172.9-20000109.9P56 E60 A61 L62P56-D58 PolarHBondContact O-N 3.04Å; D58-E60 PolarHBondContact O-N 3.01Å; D58-E60 PolarHBondContact OD1-N 3.27Å; D58-A61 HydrophobicContact CB-CB 3.99Å; D58-A61 PolarHBondContact OD1-N 2.89Å; D58-L62 PolarHBondContact O-N 3.49Å
59R84.8Confident82Confident168 Ų168115.3 Ų115.363%0.63460%0.601SS**Hα-helixtrans-66.3-35.5-177.5-175.3176.8176.4-88.5-1.7112.5F57 L63F57-R59 HydrophobicContact CE1-CB 3.81Å; F57-R59 HydrophobicContact CE1-CG 4.35Å; F57-R59 HydrophobicContact CZ-CB 4.22Å; R59-L63 HydrophobicContact CG-CD1 4.25Å; R59-L63 WeakPolarHBondContact O-CG 3.33Å; R59-L63 PolarHBondContact O-N 3.42Å; R59-L63 VanDerWaalsContact O-N 3.12Å
60E89.3Confident83.1Confident137 Ų137115.6 Ų115.664%0.6461%0.609SS**Hα-helixtrans-72.5-42.5-178.1-73.3-173.5173.900110.8D58 L62 L63 Q64D58-E60 PolarHBondContact O-N 3.01Å; D58-E60 PolarHBondContact OD1-N 3.27Å; E60-L62 VanDerWaalsContact C-N 3.32Å; E60-L62 PolarHBondContact O-N 3.21Å; E60-L63 PolarHBondContact O-N 3.37Å; E60-Q64 WeakPolarHBondContact O-CG 3.48Å; E60-Q64 PolarHBondContact O-N 3.13Å
61A85.8Confident83.8Confident49 Ų49113.9 Ų113.941%0.40561%0.609SS.*Hα-helixtrans-61.1-40.2175.600000112.2D58 H65D58-A61 HydrophobicContact CB-CB 3.99Å; D58-A61 PolarHBondContact OD1-N 2.89Å; A61-H65 WeakPolarHBondContact O-CB 3.49Å; A61-H65 PolarHBondContact O-N 2.99Å
62L84.6Confident84.5Confident73 Ų73112.3 Ų112.338%0.38260%0.604SS.*Hα-helixtrans-63.9-45.4175.2177.762.9000111.8F57 D58 E60 Q64 H65 L66F57-L62 HydrophobicContact CE2-CD2 3.68Å; F57-L62 HydrophobicContact CZ-CD2 4.01Å; D58-L62 PolarHBondContact O-N 3.49Å; E60-L62 VanDerWaalsContact C-N 3.32Å; E60-L62 PolarHBondContact O-N 3.21Å; L62-Q64 VanDerWaalsContact C-N 3.34Å; L62-Q64 PolarHBondContact O-N 3.38Å; L62-H65 PolarHBondContact O-N 2.91Å; L62-L66 HydrophobicContact CD1-CD1 3.99Å; L62-L66 HydrophobicContact CD1-CG 4.02Å; L62-L66 HydrophobicContact CD2-CD1 4.45Å; L62-L66 HydrophobicContact CG-CD1 3.88Å; L62-L66 HydrophobicContact CG-CG 4.33Å; L62-L66 VanDerWaalsContact O-CG 3.31Å; L62-L66 WeakPolarHBondContact O-CG 3.4Å; L62-L66 PolarHBondContact O-N 3.44Å
63L86.8Confident84.9Confident73 Ų73114.3 Ų114.338%0.38260%0.603SS.*Hα-helixtrans-61.7-43.1179.6-74.6169.3000111.7R59 E60 H65 L66 E67R59-L63 HydrophobicContact CG-CD1 4.25Å; R59-L63 WeakPolarHBondContact O-CG 3.33Å; R59-L63 PolarHBondContact O-N 3.42Å; R59-L63 VanDerWaalsContact O-N 3.12Å; E60-L63 PolarHBondContact O-N 3.37Å; L63-H65 VanDerWaalsContact C-N 3.34Å; L63-H65 PolarHBondContact O-N 2.81Å; L63-L66 PolarHBondContact O-N 3.12Å; L63-E67 WeakPolarHBondContact O-CB 3.41Å; L63-E67 WeakPolarHBondContact O-CG 3.3Å; L63-E67 PolarHBondContact O-N 3.46Å
64Q91.8Very high85.4Confident130 Ų130113 Ų11361%0.60759%0.594SS**Hα-helixtrans-63.5-39.3175.9-71176.410.300112.4E60 L62 K68E60-Q64 WeakPolarHBondContact O-CG 3.48Å; E60-Q64 PolarHBondContact O-N 3.13Å; L62-Q64 VanDerWaalsContact C-N 3.34Å; L62-Q64 PolarHBondContact O-N 3.38Å; Q64-K68 VanDerWaalsContact O-CB 3.31Å; Q64-K68 WeakPolarHBondContact O-CB 3.35Å; Q64-K68 PolarHBondContact O-N 2.82Å
65H88.3Confident85.4Confident110 Ų110113.6 Ų113.651%0.50959%0.592SS.*Hα-helixtrans-63-47175.6178.556.4000111.6A61 L62 L63 K68 E69A61-H65 WeakPolarHBondContact O-CB 3.49Å; A61-H65 PolarHBondContact O-N 2.99Å; L62-H65 PolarHBondContact O-N 2.91Å; L63-H65 VanDerWaalsContact C-N 3.34Å; L63-H65 PolarHBondContact O-N 2.81Å; H65-K68 PolarHBondContact O-N 2.7Å; H65-E69 IonicContact NE2-OE2 3.7Å; H65-E69 WeakPolarHBondContact O-CB 3.4Å; H65-E69 PolarHBondContact O-N 2.87Å
66L88.4Confident85.3Confident83 Ų83121.3 Ų121.344%0.43561%0.605SS.*Hα-helixtrans-66.5-39.2179.7-68.4173.3000112.3L62 L63 K68 E69 A70L62-L66 HydrophobicContact CD1-CD1 3.99Å; L62-L66 HydrophobicContact CD1-CG 4.02Å; L62-L66 HydrophobicContact CD2-CD1 4.45Å; L62-L66 HydrophobicContact CG-CD1 3.88Å; L62-L66 HydrophobicContact CG-CG 4.33Å; L62-L66 VanDerWaalsContact O-CG 3.31Å; L62-L66 WeakPolarHBondContact O-CG 3.4Å; L62-L66 PolarHBondContact O-N 3.44Å; L63-L66 PolarHBondContact O-N 3.12Å; L66-K68 VanDerWaalsContact C-N 3.35Å; L66-E69 PolarHBondContact O-N 2.93Å; L66-A70 VanDerWaalsContact O-CB 3.23Å; L66-A70 WeakPolarHBondContact O-CB 3.48Å; L66-A70 PolarHBondContact O-N 3Å
67E90.6Very high85Confident137 Ų137123.7 Ų123.764%0.6461%0.605SS**Hα-helixtrans-63.1-42.6174-80-177.417400111.5L63 A70 L71L63-E67 WeakPolarHBondContact O-CB 3.41Å; L63-E67 WeakPolarHBondContact O-CG 3.3Å; L63-E67 PolarHBondContact O-N 3.46Å; E67-A70 PolarHBondContact O-N 3.29Å; E67-L71 WeakPolarHBondContact O-CB 3.28Å; E67-L71 PolarHBondContact O-N 2.88Å
68K92.1Very high84.4Confident125 Ų125121.9 Ų121.954%0.54360%0.603SS.*Hα-helixtrans-64.7-46.1176.9-176.4180173.3-176.90111.6Q64 H65 L66 A70 L71 E72Q64-K68 VanDerWaalsContact O-CB 3.31Å; Q64-K68 WeakPolarHBondContact O-CB 3.35Å; Q64-K68 PolarHBondContact O-N 2.82Å; H65-K68 PolarHBondContact O-N 2.7Å; L66-K68 VanDerWaalsContact C-N 3.35Å; K68-A70 VanDerWaalsContact C-N 3.34Å; K68-A70 PolarHBondContact O-N 3.22Å; K68-L71 PolarHBondContact O-N 2.96Å; K68-E72 WeakPolarHBondContact CE-OE1 3.11Å; K68-E72 IonicContact NZ-OE1 3.88Å; K68-E72 WeakPolarHBondContact O-CB 3.21Å; K68-E72 WeakPolarHBondContact O-CG 3.48Å; K68-E72 PolarHBondContact O-N 3.26Å
69E90.7Very high83.9Confident102 Ų102125.1 Ų125.148%0.47762%0.619SS.*Hα-helixtrans-62.7-41.1178-170.2178.1-169.600111.2H65 L66 L71 E72 H73H65-E69 IonicContact NE2-OE2 3.7Å; H65-E69 WeakPolarHBondContact O-CB 3.4Å; H65-E69 PolarHBondContact O-N 2.87Å; L66-E69 PolarHBondContact O-N 2.93Å; E69-L71 VanDerWaalsContact C-N 3.33Å; E69-L71 PolarHBondContact O-N 3.06Å; E69-E72 PolarHBondContact O-N 3.12Å; E69-H73 WeakPolarHBondContact O-CB 3.42Å; E69-H73 PolarHBondContact O-N 3.24Å
70A84.3Confident83.2Confident72 Ų72122.5 Ų122.560%0.59562%0.622SS**Hα-helixtrans-64.7-34.817500000112.9L66 E67 K68L66-A70 VanDerWaalsContact O-CB 3.23Å; L66-A70 WeakPolarHBondContact O-CB 3.48Å; L66-A70 PolarHBondContact O-N 3Å; E67-A70 PolarHBondContact O-N 3.29Å; K68-A70 VanDerWaalsContact C-N 3.34Å; K68-A70 PolarHBondContact O-N 3.22Å
71L86.2Confident82.3Confident162 Ų162120.8 Ų120.885%0.84862%0.622SS**Hα-helixtrans-72.6-34.4176.3-130.991.1000112.7E67 K68 E69E67-L71 WeakPolarHBondContact O-CB 3.28Å; E67-L71 PolarHBondContact O-N 2.88Å; K68-L71 PolarHBondContact O-N 2.96Å; E69-L71 VanDerWaalsContact C-N 3.33Å; E69-L71 PolarHBondContact O-N 3.06Å
72E89.9Confident81.3Confident135 Ų135127 Ų12763%0.63164%0.64SS**Hα-helixtrans-81.3-25.7-179.3-72.9176.917700112.3K68 E69 P74K68-E72 WeakPolarHBondContact CE-OE1 3.11Å; K68-E72 IonicContact NZ-OE1 3.88Å; K68-E72 WeakPolarHBondContact O-CB 3.21Å; K68-E72 WeakPolarHBondContact O-CG 3.48Å; K68-E72 PolarHBondContact O-N 3.26Å; E69-E72 PolarHBondContact O-N 3.12Å; E72-P74 WeakPolarHBondContact O-CD 3.4Å
73H83.2Confident80.7Confident135 Ų135128.8 Ų128.863%0.62566%0.655SS**SBendtrans-71.5120.3176.9-162.2-67.5000110E69 D75E69-H73 WeakPolarHBondContact O-CB 3.42Å; E69-H73 PolarHBondContact O-N 3.24Å; H73-D75 PolarHBondContact O-N 3.29Å
74P81.5Confident79.8Confident99 Ų99127.8 Ų127.864%0.64366%0.662SS**PPolyproline II helixtrans-64.7138.3178.726.1-33000110.4E72 R76E72-P74 WeakPolarHBondContact O-CD 3.4Å; P74-R76 PolarHBondContact O-N 2.96Å
75D74.6Confident78.8Confident161 Ų161129.9 Ų129.986%0.86167%0.669SS**PPolyproline II helixtrans-60.2131.1171.3-80.5-26.2000109.3H73 E77H73-D75 PolarHBondContact O-N 3.29Å; D75-E77 PolarHBondContact O-N 2.79Å
76R76.3Confident77.7Confident214 Ų214134.1 Ų134.181%0.80869%0.686SS**PPolyproline II helixtrans-67.3129.1175.7-177.7177.9177.2173.70.5108.9P74 D78P74-R76 PolarHBondContact O-N 2.96Å; R76-D78 PolarHBondContact O-N 3.42Å
77E72.5Confident76.6Confident180 Ų180140.3 Ų140.384%0.84171%0.709SS**PPolyproline II helixtrans-62124.1174.2-68.1-172.5167.600110.7D75 L79D75-E77 PolarHBondContact O-N 2.79Å; E77-L79 PolarHBondContact O-N 2.98Å
78D66.8Low75.6Confident120 Ų120137 Ų13764%0.64271%0.711SS**PPolyproline II helixtrans-64125174.9-77.1-30.9000110R76 V80R76-D78 PolarHBondContact O-N 3.42Å; D78-V80 PolarHBondContact O-N 3.4Å
79L72.5Confident74.8Confident162 Ų162141.1 Ų141.185%0.84873%0.729SS**SBendtrans-56.7-19.7174.1-93.6129.5000113.3E77E77-L79 PolarHBondContact O-N 2.98Å
80V71.6Confident73.8Confident114 Ų114145.4 Ų145.469%0.69175%0.746SS**SBendtrans-133.1118.1175.3-173.20000108.6D78 F82D78-V80 PolarHBondContact O-N 3.4Å; V80-F82 PolarHBondContact O-N 3.31Å
81P70.4Confident73.2Confident101 Ų101150.5 Ų150.566%0.65676%0.755SS**  trans-57.5127.9-179.2-23.831.8000111.6T83P81-T83 WeakPolarHBondContact O-CG2 3.44Å; P81-T83 PolarHBondContact O-N 2.94Å
82F64.9Low72.7Confident179 Ų179148.3 Ų148.379%0.78575%0.748SS**  trans-61.4106.1175.5179-105.3000110.5V80 G84V80-F82 PolarHBondContact O-N 3.31Å; F82-G84 PolarHBondContact O-N 3.21Å
83T70.6Confident71.6Confident111 Ų111146.1 Ų146.168%0.68175%0.746SS**  trans-78.81.4-174.656.70000114.5P81 K85P81-T83 WeakPolarHBondContact O-CG2 3.44Å; P81-T83 PolarHBondContact O-N 2.94Å; T83-K85 PolarHBondContact O-N 3.27Å
84G68.1Low71.1Confident51 Ų51149.3 Ų149.353%0.52676%0.758SS.*  trans66-4178.900000116.1F82 K86F82-G84 PolarHBondContact O-N 3.21Å; G84-K86 PolarHBondContact O-N 3.34Å
85K71.5Confident70.5Confident174 Ų174153.8 Ų153.876%0.75777%0.767SS**  trans-86.1106.4-179-68.3-179.7-177.8177.90110.1T83 K87T83-K85 PolarHBondContact O-N 3.27Å; K85-K87 PolarHBondContact O-N 3.05Å
86K64.4Low69.8Low199 Ų199151.8 Ų151.887%0.86576%0.763SS**  trans-61.7104.6167.3-79.7-175.4176.6179.10109.4G84G84-K86 PolarHBondContact O-N 3.34Å
87K65.1Low69Low214 Ų214151.2 Ų151.293%0.9377%0.767SS**  trans-79.7116.2167.6-78.1-173.4177.2178.10108.8K85K85-K87 PolarHBondContact O-N 3.05Å
88G69.4Low68.5Low66 Ų66151.4 Ų151.468%0.6877%0.768SS**SBendtrans127.7150.7176.700000112.9
89K76.5Confident67.9Low212 Ų212150.9 Ų150.992%0.92276%0.763SS**PPolyproline II helixtrans-66.5137.5173.6-65.7-178.3-179.5179.60108.8F91K89-F91 PolarHBondContact O-N 2.95Å; K89-F91 VanDerWaalsContact O-N 3.13Å
90K70.3Confident67.2Low192 Ų192146.1 Ų146.184%0.83574%0.742SS**PPolyproline II helixtrans-56.2120.2174.7-162.1177.3-176-177.10107.8V92K90-V92 PolarHBondContact O-N 3Å; K90-V92 VanDerWaalsContact O-N 3.14Å
91F70.3Confident66.4Low179 Ų179146.8 Ų146.879%0.78574%0.741SS**PPolyproline II helixtrans-60.4118.8178.6178.3-102000108.7K89 P93K89-F91 PolarHBondContact O-N 2.95Å; K89-F91 VanDerWaalsContact O-N 3.13Å; F91-P93 HydrophobicContact CE1-CB 4.25Å
92V75.7Confident65.6Low116 Ų116149.6 Ų149.670%0.70375%0.745SS**PPolyproline II helixtrans-103.1117.3171.2-178.70000106K90 K94K90-V92 PolarHBondContact O-N 3Å; K90-V92 VanDerWaalsContact O-N 3.14Å; V92-K94 PolarHBondContact O-N 3.25Å
93P68.2Low64.9Low90 Ų90146.6 Ų146.658%0.58473%0.734SS**PPolyproline II helixtrans-58127.9175.721.9-29.7000108.9F91 K95F91-P93 HydrophobicContact CE1-CB 4.25Å; P93-K95 PolarHBondContact O-N 2.89Å
94K72.7Confident64.1Low202 Ų202146 Ų14688%0.87872%0.723SS**PPolyproline II helixtrans-64126.1175.6-68.4178.8179.7175.80107.5V92V92-K94 PolarHBondContact O-N 3.25Å
95K68.9Low63.5Low193 Ų193149.7 Ų149.784%0.83974%0.735SS**PPolyproline II helixtrans-57.7138.2169.2-69.3-172.6178.2-173.90108.3P93 K97P93-K95 PolarHBondContact O-N 2.89Å; K95-K97 PolarHBondContact O-N 3.42Å
96P58.4Low62.9Low119 Ų119147.5 Ų147.577%0.77373%0.731SS**PPolyproline II helixtrans-54.8131.3171.423.6-30.9000107.9E98P96-E98 PolarHBondContact O-N 3.42Å
97K60.7Low62.6Low202 Ų202141 Ų14188%0.87871%0.705SS**PPolyproline II helixtrans-66.5116.5172.7-76.4-178.3174.2-176.20106.6K95 I99K95-K97 PolarHBondContact O-N 3.42Å; K97-I99 PolarHBondContact O-N 3.44Å
98E61.1Low63Low184 Ų184136.9 Ų136.986%0.8669%0.689SS**PPolyproline II helixtrans-65.1124.7165-71.7174-17400107.4P96P96-E98 PolarHBondContact O-N 3.42Å
99I55.2Low63.1Low108 Ų108138.7 Ų138.755%0.55469%0.689SS**PPolyproline II helixtrans-67.9123.3177.4-58.6169.1000106.7K97 L101 E103K97-I99 PolarHBondContact O-N 3.44Å; I99-L101 PolarHBondContact O-N 3.43Å; I99-E103 HydrophobicContact CG2-CB 3.65Å
100P56.8Low62.6Low62 Ų62135.9 Ų135.940%0.40368%0.679SS.*PPolyproline II helixtrans-52.4139.1177.3-22.831.7000110.6H102 E103P100-H102 PolarHBondContact O-N 2.8Å; P100-E103 WeakPolarHBondContact CD-OE2 3.48Å; P100-E103 PolarHBondContact O-N 2.95Å
101L54.5Low62.1Low129 Ų129130.8 Ų130.868%0.67566%0.66SS**THydrogen-bonded Turntrans-54.8-24.2-177.1-147.596.6000113.2I99 E103 Q104I99-L101 PolarHBondContact O-N 3.43Å; L101-E103 VanDerWaalsContact C-N 3.35Å; L101-Q104 PolarHBondContact O-N 2.6Å
102H53.5Low61.9Low160 Ų160127.5 Ų127.574%0.74165%0.648SS**THydrogen-bonded Turntrans-77-17.3177.692.462.1000114P100P100-H102 PolarHBondContact O-N 2.8Å
103E51.3Low61.7Low115 Ų115128 Ų12854%0.53764%0.642SS.*THydrogen-bonded Turntrans-93.5-7.2175.6-69.9-175.3165.800111.4I99 P100 L101 V105I99-E103 HydrophobicContact CG2-CB 3.65Å; P100-E103 WeakPolarHBondContact CD-OE2 3.48Å; P100-E103 PolarHBondContact O-N 2.95Å; L101-E103 VanDerWaalsContact C-N 3.35Å; E103-V105 PolarHBondContact O-N 2.78Å
104Q52.8Low61.6Low99 Ų99126.6 Ų126.646%0.46364%0.638SS.*SBendtrans-76109.2168.4-62.4-179.514.200107.6L101 I106L101-Q104 PolarHBondContact O-N 2.6Å; Q104-I106 VanDerWaalsContact C-N 3.32Å; Q104-I106 PolarHBondContact O-N 3.1Å
105V56.1Low61.2Low129 Ų129120.3 Ų120.378%0.78261%0.613SS**  trans-69.794.9171.7-177.80000107E103 L107E103-V105 PolarHBondContact O-N 2.78Å; V105-L107 HydrophobicContact CG1-CD2 4.38Å; V105-L107 PolarHBondContact O-N 2.83Å
106I59.2Low61.2Low128 Ų128119.6 Ų119.666%0.65661%0.61SS**  trans-81.2110.1170.7-58.6169.2000105.8Q104Q104-I106 VanDerWaalsContact C-N 3.32Å; Q104-I106 PolarHBondContact O-N 3.1Å
107L58Low62Low63 Ų63119.4 Ų119.433%0.3360%0.603SS.*  trans-73.6150.3174.5-70165.9000108.9V105 L111 E112 L115V105-L107 HydrophobicContact CG1-CD2 4.38Å; V105-L107 PolarHBondContact O-N 2.83Å; L107-L111 HydrophobicContact CB-CB 4.33Å; L107-E112 HydrophobicContact CB-CG 4Å; L107-E112 HydrophobicContact CD1-CG 4.44Å; L107-L115 HydrophobicContact CD1-CD1 3.49Å; L107-L115 VanDerWaalsContact CD1-CD1 3.49Å
108E74.1Confident62.4Low127 Ų127111 Ų11159%0.59357%0.571SS**  trans-59.5145.3172.9-64.2179.8170.700109.4E110 L111 E112E108-E110 PolarHBondContact O-N 3.46Å; E108-L111 HydrophobicContact CB-CD1 4.14Å; E108-L111 HydrophobicContact CB-CG 4.42Å; E108-L111 HydrophobicContact CG-CD1 4.5Å; E108-L111 WeakPolarHBondContact O-CA 3.35Å; E108-L111 WeakPolarHBondContact O-CB 3.35Å; E108-L111 PolarHBondContact O-N 2.87Å; E108-E112 PolarHBondContact O-N 3.12Å
109P70.9Confident62.8Low103 Ų103105.8 Ų105.867%0.66955%0.552SS**Hα-helixtrans-54.1-33.9-174-25.432.9000113.5E112 E113P109-E112 PolarHBondContact O-N 3.44Å; P109-E113 WeakPolarHBondContact O-CB 3.33Å; P109-E113 PolarHBondContact O-N 3.26Å
110E65.1Low63.3Low153 Ų153102.8 Ų102.872%0.71554%0.537SS*.Hα-helixtrans-69.2-34.4178.3-61.8173.8-175.500112.1E108 A114E108-E110 PolarHBondContact O-N 3.46Å; E110-A114 VanDerWaalsContact O-CB 3.3Å; E110-A114 WeakPolarHBondContact O-CB 3.25Å; E110-A114 PolarHBondContact O-N 3.27Å
111L60.8Low63.7Low86 Ų86102.8 Ų102.845%0.4554%0.542SS..Hα-helixtrans-75.4-37.3176.4-70169.4000111.6L107 E108 A114 L115L107-L111 HydrophobicContact CB-CB 4.33Å; E108-L111 HydrophobicContact CB-CD1 4.14Å; E108-L111 HydrophobicContact CB-CG 4.42Å; E108-L111 HydrophobicContact CG-CD1 4.5Å; E108-L111 WeakPolarHBondContact O-CA 3.35Å; E108-L111 WeakPolarHBondContact O-CB 3.35Å; E108-L111 PolarHBondContact O-N 2.87Å; L111-A114 PolarHBondContact O-N 3.45Å; L111-L115 WeakPolarHBondContact O-CB 3.37Å; L111-L115 WeakPolarHBondContact O-CD1 3.34Å; L111-L115 WeakPolarHBondContact O-CG 3.48Å; L111-L115 PolarHBondContact O-N 2.88Å
112E65.4Low64.5Low110 Ų110101.3 Ų101.351%0.51453%0.532SS..Hα-helixtrans-62.8-43172.2-96.6-179.3-172.600111.9L107 E108 P109 L115 K116L107-E112 HydrophobicContact CB-CG 4Å; L107-E112 HydrophobicContact CD1-CG 4.44Å; E108-E112 PolarHBondContact O-N 3.12Å; P109-E112 PolarHBondContact O-N 3.44Å; E112-L115 PolarHBondContact O-N 3.26Å; E112-K116 VanDerWaalsContact O-CB 3.29Å; E112-K116 WeakPolarHBondContact O-CB 3.45Å; E112-K116 PolarHBondContact O-N 3.26Å
113E71.3Confident65.3Low127 Ų12797 Ų9759%0.59351%0.513SS*.Hα-helixtrans-66.6-40.2176.5-172.4170.3-172.300111.8P109 K116 N117P109-E113 WeakPolarHBondContact O-CB 3.33Å; P109-E113 PolarHBondContact O-N 3.26Å; E113-K116 PolarHBondContact O-N 3.49Å; E113-N117 WeakPolarHBondContact O-CB 3.25Å; E113-N117 PolarHBondContact O-N 3.49Å; E113-N117 PolarHBondContact O-ND2 3.1Å
114A65.9Low65.9Low59 Ų5992.4 Ų92.449%0.48849%0.493SS..Hα-helixtrans-63.8-44.417500000112.3E110 L111 K116 N117 A118E110-A114 VanDerWaalsContact O-CB 3.3Å; E110-A114 WeakPolarHBondContact O-CB 3.25Å; E110-A114 PolarHBondContact O-N 3.27Å; L111-A114 PolarHBondContact O-N 3.45Å; A114-K116 VanDerWaalsContact C-N 3.32Å; A114-K116 PolarHBondContact O-N 3.24Å; A114-N117 PolarHBondContact O-N 2.93Å; A114-A118 VanDerWaalsContact O-CB 3.31Å; A114-A118 WeakPolarHBondContact O-CB 3.26Å; A114-A118 PolarHBondContact O-N 3.35Å
115L65.6Low66.6Low70 Ų7092.5 Ų92.537%0.36650%0.497SS..Hα-helixtrans-64.5-35.5175.9-82.7156.8000112.5L107 L111 E112 N117 M123L107-L115 HydrophobicContact CD1-CD1 3.49Å; L107-L115 VanDerWaalsContact CD1-CD1 3.49Å; L111-L115 WeakPolarHBondContact O-CB 3.37Å; L111-L115 WeakPolarHBondContact O-CD1 3.34Å; L111-L115 WeakPolarHBondContact O-CG 3.48Å; L111-L115 PolarHBondContact O-N 2.88Å; E112-L115 PolarHBondContact O-N 3.26Å; L115-N117 VanDerWaalsContact C-N 3.34Å; L115-M123 HydrophobicContact CD2-CE 3.94Å; L115-M123 HydrophobicContact CD2-SD 3.67Å
116K68.6Low67.3Low179 Ų17989.6 Ų89.678%0.77848%0.476SS*.Hα-helixtrans-72.5-29179.2-168.9177.2-179.3-177.30113E112 E113 A114E112-K116 VanDerWaalsContact O-CB 3.29Å; E112-K116 WeakPolarHBondContact O-CB 3.45Å; E112-K116 PolarHBondContact O-N 3.26Å; E113-K116 PolarHBondContact O-N 3.49Å; A114-K116 VanDerWaalsContact C-N 3.32Å; A114-K116 PolarHBondContact O-N 3.24Å
117N74.5Confident67.6Low115 Ų11584.2 Ų84.262%0.61545%0.451SS*.Hα-helixtrans-99.7-6.8-179.8-66.1-29.3000113.3E113 A114 L115E113-N117 WeakPolarHBondContact O-CB 3.25Å; E113-N117 PolarHBondContact O-N 3.49Å; E113-N117 PolarHBondContact O-ND2 3.1Å; A114-N117 PolarHBondContact O-N 2.93Å; L115-N117 VanDerWaalsContact C-N 3.34Å
118A70.1Confident67.9Low24 Ų2484.7 Ų84.720%0.19846%0.464CS..  trans-63.8139.8178.500000110.9A114 E122 M123A114-A118 VanDerWaalsContact O-CB 3.31Å; A114-A118 WeakPolarHBondContact O-CB 3.26Å; A114-A118 PolarHBondContact O-N 3.35Å; A118-E122 HydrophobicContact CB-CB 4.39Å; A118-M123 HydrophobicContact CB-CG 3.91Å; A118-M123 HydrophobicContact CB-SD 3.88Å
119T68.8Low67.6Low76 Ų7685.5 Ų85.547%0.46647%0.471SS..  trans-73.1156.3174.959.90000111.2A121 E122 M123T119-A121 PolarHBondContact O-N 3.37Å; T119-A121 VanDerWaalsContact O-N 3.09Å; T119-E122 WeakPolarHBondContact CB-OE2 3.44Å; T119-E122 PolarHBondContact N-OE2 2.82Å; T119-E122 PolarHBondContact O-N 3.04Å; T119-E122 VanDerWaalsContact OG1-CG 3.28Å; T119-E122 WeakPolarHBondContact OG1-CG 3.43Å; T119-E122 PolarHBondContact OG1-OE2 3.41Å; T119-M123 PolarHBondContact O-N 3.27Å
120D66.6Low67.5Low45 Ų4585.6 Ų85.624%0.24147%0.465CS..Hα-helixtrans-53.5-32.6179-71.2-1.6000112.7C124 I151D120-C124 PolarHBondContact O-N 2.93Å; D120-I151 HydrophobicContact CB-CD1 3.76Å; D120-I151 HydrophobicContact CB-CG1 3.93Å; D120-I151 PolarHBondContact OD2-N 2.86Å
121A64.8Low67.2Low62 Ų6280.6 Ų80.651%0.51245%0.454SS..Hα-helixtrans-70.2-46.5175.600000112.4T119 M123 C124 D125T119-A121 PolarHBondContact O-N 3.37Å; T119-A121 VanDerWaalsContact O-N 3.09Å; A121-M123 VanDerWaalsContact C-N 3.31Å; A121-M123 PolarHBondContact O-N 3.18Å; A121-C124 PolarHBondContact O-N 3.23Å; A121-D125 PolarHBondContact O-N 3.2Å
122E71.1Confident67.3Low98 Ų9880.1 Ų80.146%0.45845%0.451SS..Hα-helixtrans-64.9-37178.7-69.6164.5144.500111.4A118 T119 C124 D125 I126A118-E122 HydrophobicContact CB-CB 4.39Å; T119-E122 WeakPolarHBondContact CB-OE2 3.44Å; T119-E122 PolarHBondContact N-OE2 2.82Å; T119-E122 PolarHBondContact O-N 3.04Å; T119-E122 VanDerWaalsContact OG1-CG 3.28Å; T119-E122 WeakPolarHBondContact OG1-CG 3.43Å; T119-E122 PolarHBondContact OG1-OE2 3.41Å; E122-C124 VanDerWaalsContact C-N 3.35Å; E122-D125 PolarHBondContact O-N 3.38Å; E122-I126 WeakPolarHBondContact O-CB 3.36Å; E122-I126 WeakPolarHBondContact O-CD1 3.44Å; E122-I126 WeakPolarHBondContact O-CG1 3.43Å; E122-I126 PolarHBondContact O-N 2.95Å
123M70.1Confident67Low70 Ų7082.5 Ų82.535%0.34546%0.456SS..Hα-helixtrans-63.6-40174.5-73-63.7-7000112.3L115 A118 T119 A121 I126 A127L115-M123 HydrophobicContact CD2-CE 3.94Å; L115-M123 HydrophobicContact CD2-SD 3.67Å; A118-M123 HydrophobicContact CB-CG 3.91Å; A118-M123 HydrophobicContact CB-SD 3.88Å; T119-M123 PolarHBondContact O-N 3.27Å; A121-M123 VanDerWaalsContact C-N 3.31Å; A121-M123 PolarHBondContact O-N 3.18Å; M123-I126 PolarHBondContact O-N 3.38Å; M123-A127 WeakPolarHBondContact O-CB 3.27Å; M123-A127 PolarHBondContact O-N 2.85Å
124C63.5Low66.4Low17 Ų1781.2 Ų81.212%0.11546%0.457CS..Hα-helixtrans-67.7-40.2177.1-162.70000111.5D120 A121 E122 A127 A128 A144D120-C124 PolarHBondContact O-N 2.93Å; A121-C124 PolarHBondContact O-N 3.23Å; E122-C124 VanDerWaalsContact C-N 3.35Å; C124-A127 PolarHBondContact O-N 3.21Å; C124-A128 WeakPolarHBondContact O-CB 3.25Å; C124-A128 PolarHBondContact O-N 3.07Å; C124-A144 HydrophobicContact CB-CB 4.24Å
125D67.4Low66.2Low102 Ų10281.9 Ų81.955%0.54545%0.452SS..Hα-helixtrans-65.2-43.5175.3-73.5-21.6000111.7A121 E122 A127 A128 I129A121-D125 PolarHBondContact O-N 3.2Å; E122-D125 PolarHBondContact O-N 3.38Å; D125-A127 PolarHBondContact O-N 2.91Å; D125-A128 PolarHBondContact O-N 3.29Å; D125-I129 WeakPolarHBondContact O-CB 3.34Å; D125-I129 WeakPolarHBondContact O-CD1 3.13Å; D125-I129 WeakPolarHBondContact O-CG1 3.44Å; D125-I129 PolarHBondContact O-N 3.4Å
126I71.4Confident66.2Low68 Ų6880.3 Ų80.335%0.34944%0.443SS..Hα-helixtrans-61.9-44.7175.7-70.5164.9000110.8E122 M123 A128 I129 L130E122-I126 WeakPolarHBondContact O-CB 3.36Å; E122-I126 WeakPolarHBondContact O-CD1 3.44Å; E122-I126 WeakPolarHBondContact O-CG1 3.43Å; E122-I126 PolarHBondContact O-N 2.95Å; M123-I126 PolarHBondContact O-N 3.38Å; I126-A128 VanDerWaalsContact C-N 3.33Å; I126-A128 PolarHBondContact O-N 3.14Å; I126-I129 PolarHBondContact O-N 3.34Å; I126-L130 HydrophobicContact CG2-CD1 3.5Å; I126-L130 HydrophobicContact CG2-CG 4.37Å; I126-L130 WeakPolarHBondContact O-CB 3.45Å; I126-L130 WeakPolarHBondContact O-CG 3.48Å; I126-L130 PolarHBondContact O-N 2.98Å
127A65.8Low66.1Low15 Ų1573.2 Ų73.212%0.12442%0.416CS..Hα-helixtrans-64.5-37177.700000112.4M123 C124 D125 G131 M132 M136M123-A127 WeakPolarHBondContact O-CB 3.27Å; M123-A127 PolarHBondContact O-N 2.85Å; C124-A127 PolarHBondContact O-N 3.21Å; D125-A127 PolarHBondContact O-N 2.91Å; A127-G131 PolarHBondContact O-N 2.64Å; A127-G131 VanDerWaalsContact O-N 3.16Å; A127-M132 PolarHBondContact O-N 3.43Å; A127-M136 HydrophobicContact CB-SD 4.15Å
128A65.1Low65.9Low73 Ų7373.8 Ų73.860%0.60342%0.419SS*.Hα-helixtrans-67.5-44.9174.700000112C124 D125 I126 G131C124-A128 WeakPolarHBondContact O-CB 3.25Å; C124-A128 PolarHBondContact O-N 3.07Å; D125-A128 PolarHBondContact O-N 3.29Å; I126-A128 VanDerWaalsContact C-N 3.33Å; I126-A128 PolarHBondContact O-N 3.14Å; A128-G131 PolarHBondContact O-N 3.34Å
129I67.3Low65.8Low144 Ų14475.5 Ų75.574%0.73842%0.422SS*.Hα-helixtrans-65.3-40.8179-69.2164.1000111.4D125 I126 G131D125-I129 WeakPolarHBondContact O-CB 3.34Å; D125-I129 WeakPolarHBondContact O-CD1 3.13Å; D125-I129 WeakPolarHBondContact O-CG1 3.44Å; D125-I129 PolarHBondContact O-N 3.4Å; I126-I129 PolarHBondContact O-N 3.34Å; I129-G131 VanDerWaalsContact C-N 3.27Å; I129-G131 PolarHBondContact O-N 2.99Å
130L67.7Low65.8Low105 Ų10572.4 Ų72.455%0.5540%0.403SS..THydrogen-bonded Turntrans-81.3-4.5-179.9-66.7169.1000113.3I126 M132I126-L130 HydrophobicContact CG2-CD1 3.5Å; I126-L130 HydrophobicContact CG2-CG 4.37Å; I126-L130 WeakPolarHBondContact O-CB 3.45Å; I126-L130 WeakPolarHBondContact O-CG 3.48Å; I126-L130 PolarHBondContact O-N 2.98Å; L130-M132 HydrophobicContact CB-CB 4.43Å; L130-M132 HydrophobicContact CB-CE 3.84Å; L130-M132 HydrophobicContact CB-CG 4.02Å; L130-M132 HydrophobicContact CD1-CE 3.57Å; L130-M132 HydrophobicContact CG-CE 4.31Å; L130-M132 PolarHBondContact O-N 2.89Å
131G59.8Low66Low47 Ų4774.8 Ų74.849%0.48541%0.409SS..THydrogen-bonded Turntrans66.320-177.100000113.8A127 A128 I129 Y133A127-G131 PolarHBondContact O-N 2.64Å; A127-G131 VanDerWaalsContact O-N 3.16Å; A128-G131 PolarHBondContact O-N 3.34Å; I129-G131 VanDerWaalsContact C-N 3.27Å; I129-G131 PolarHBondContact O-N 2.99Å; G131-Y133 PolarHBondContact O-N 3.01Å
132M62.1Low66.2Low77 Ų7779 Ų7938%0.37941%0.413SS..  trans-99.936.5-173.4-67.1-162.1-56.900112.7A127 L130 T134 L135A127-M132 PolarHBondContact O-N 3.43Å; L130-M132 HydrophobicContact CB-CB 4.43Å; L130-M132 HydrophobicContact CB-CE 3.84Å; L130-M132 HydrophobicContact CB-CG 4.02Å; L130-M132 HydrophobicContact CD1-CE 3.57Å; L130-M132 HydrophobicContact CG-CE 4.31Å; L130-M132 PolarHBondContact O-N 2.89Å; M132-T134 PolarHBondContact O-N 3.43Å; M132-T134 VanDerWaalsContact O-N 3.09Å; M132-L135 HydrophobicContact CB-CD1 3.72Å; M132-L135 HydrophobicContact CB-CG 3.94Å; M132-L135 HydrophobicContact CE-CD1 3.83Å; M132-L135 HydrophobicContact CG-CD1 4.15Å; M132-L135 WeakPolarHBondContact O-CB 3.33Å; M132-L135 PolarHBondContact O-N 2.88Å; M132-L135 HydrophobicContact SD-CD1 3.54Å; M132-L135 VanDerWaalsContact SD-CD1 3.54Å
133Y60Low66.1Low159 Ų15976.3 Ų76.362%0.62440%0.401SS*.G310 helixtrans-59.2-21.3176.163.5-89.2000113G131 L135 M136G131-Y133 PolarHBondContact O-N 3.01Å; Y133-L135 PolarHBondContact O-N 3.27Å; Y133-M136 PolarHBondContact O-N 2.72Å
134T59.3Low65.7Low101 Ų10174 Ų7462%0.6239%0.393SS*.G310 helixtrans-72.4-11.1176.254.80000114M132 M136M132-T134 PolarHBondContact O-N 3.43Å; M132-T134 VanDerWaalsContact O-N 3.09Å; T134-M136 VanDerWaalsContact C-N 3.32Å
135L60.9Low65.8Low72 Ų7278.2 Ų78.238%0.37741%0.414SS..G310 helixtrans-84.5-9.2175.2-55.8-175.6000112.7M132 Y133 I157M132-L135 HydrophobicContact CB-CD1 3.72Å; M132-L135 HydrophobicContact CB-CG 3.94Å; M132-L135 HydrophobicContact CE-CD1 3.83Å; M132-L135 HydrophobicContact CG-CD1 4.15Å; M132-L135 WeakPolarHBondContact O-CB 3.33Å; M132-L135 PolarHBondContact O-N 2.88Å; M132-L135 HydrophobicContact SD-CD1 3.54Å; M132-L135 VanDerWaalsContact SD-CD1 3.54Å; Y133-L135 PolarHBondContact O-N 3.27Å; L135-I157 HydrophobicContact CB-CD1 4Å; L135-I157 HydrophobicContact CB-CG1 3.97Å; L135-I157 HydrophobicContact CD1-CD1 4.42Å; L135-I157 HydrophobicContact CD2-CD1 3.6Å; L135-I157 HydrophobicContact CD2-CG1 4.26Å; L135-I157 HydrophobicContact CG-CD1 4.19Å; L135-I157 VanDerWaalsContact O-CG1 3.24Å; L135-I157 WeakPolarHBondContact O-CG1 3.48Å
136M64.6Low65.6Low37 Ų3774.9 Ų74.918%0.18240%0.404CS..SBendtrans-107.2142.7173.9-63.5176.272.200109.8A127 Y133 T134 Q140 A144 I151A127-M136 HydrophobicContact CB-SD 4.15Å; Y133-M136 PolarHBondContact O-N 2.72Å; T134-M136 VanDerWaalsContact C-N 3.32Å; M136-Q140 HydrophobicContact CB-CB 4.36Å; M136-Q140 HydrophobicContact CE-CB 3.99Å; M136-A144 HydrophobicContact CE-CB 4.44Å; M136-I151 HydrophobicContact CE-CD1 4.23Å
137S67.5Low64.6Low31 Ų3179.1 Ų79.122%0.21743%0.433CS..  trans-67.2152.2166.2680000110.2K139 Q140 Y141S137-K139 PolarHBondContact O-N 2.84Å; S137-K139 VanDerWaalsContact O-N 3.08Å; S137-Q140 PolarHBondContact O-N 2.9Å; S137-Q140 VanDerWaalsContact OG-CD 3.31Å; S137-Q140 VanDerWaalsContact OG-CG 3.3Å; S137-Q140 WeakPolarHBondContact OG-CG 3.28Å; S137-Q140 PolarHBondContact OG-N 2.91Å; S137-Q140 PolarHBondContact OG-OE1 2.8Å; S137-Y141 PolarHBondContact O-N 2.92Å
138N70.1Confident64.1Low127 Ų12783.5 Ų83.568%0.67946%0.458SS*.Hα-helixtrans-51.2-37.1175.9-72.5-29.3000111.8Y141 Y142N138-Y141 PolarHBondContact O-N 2.82Å; N138-Y142 HydrophobicContact CB-CD2 4.48Å; N138-Y142 HydrophobicContact CB-CE2 4.42Å; N138-Y142 WeakPolarHBondContact O-CD2 3.41Å; N138-Y142 PolarHBondContact O-N 3.14Å
139K68.4Low63.7Low59 Ų5982.3 Ų82.326%0.25745%0.453SS..Hα-helixtrans-64.8-49177.5-170177.6-174176.30112S137 Y141 Y142 D143 D164S137-K139 PolarHBondContact O-N 2.84Å; S137-K139 VanDerWaalsContact O-N 3.08Å; K139-Y141 VanDerWaalsContact C-N 3.27Å; K139-Y141 PolarHBondContact O-N 3.45Å; K139-Y142 PolarHBondContact O-N 2.81Å; K139-D143 VanDerWaalsContact O-CB 3.31Å; K139-D143 WeakPolarHBondContact O-CB 3.48Å; K139-D143 PolarHBondContact O-N 2.92Å; K139-D164 VanDerWaalsContact CE-OD1 3.3Å; K139-D164 WeakPolarHBondContact CE-OD1 3.32Å; K139-D164 IonicContact NZ-OD1 2.63Å; K139-D164 PolarHBondContact NZ-OD1 3.31Å
140Q68.5Low63.2Low12 Ų1279.7 Ų79.76%0.05644%0.444CS..Hα-helixtrans-60.6-38177.2-70.8162-47.200112.1M136 S137 A144 I151 N153M136-Q140 HydrophobicContact CB-CB 4.36Å; M136-Q140 HydrophobicContact CE-CB 3.99Å; S137-Q140 PolarHBondContact O-N 2.9Å; S137-Q140 VanDerWaalsContact OG-CD 3.31Å; S137-Q140 VanDerWaalsContact OG-CG 3.3Å; S137-Q140 WeakPolarHBondContact OG-CG 3.28Å; S137-Q140 PolarHBondContact OG-N 2.91Å; S137-Q140 PolarHBondContact OG-OE1 2.8Å; Q140-A144 WeakPolarHBondContact O-CB 3.39Å; Q140-A144 PolarHBondContact O-N 2.86Å; Q140-A144 VanDerWaalsContact O-N 3.07Å; Q140-I151 HydrophobicContact CB-CG2 3.87Å; Q140-I151 HydrophobicContact CG-CG2 3.66Å; Q140-N153 HydrophobicContact CG-CB 4.38Å; Q140-N153 PolarHBondContact NE2-O 3.37Å
141Y69.9Low62.9Low94 Ų9475.8 Ų75.837%0.36942%0.424SS..Hα-helixtrans-65.7-48177179.9-102.9000112.4S137 N138 K139 A144 L145S137-Y141 PolarHBondContact O-N 2.92Å; N138-Y141 PolarHBondContact O-N 2.82Å; K139-Y141 VanDerWaalsContact C-N 3.27Å; K139-Y141 PolarHBondContact O-N 3.45Å; Y141-A144 PolarHBondContact O-N 2.97Å; Y141-L145 HydrophobicContact CD1-CD1 3.86Å; Y141-L145 HydrophobicContact CE1-CD1 3.34Å; Y141-L145 HydrophobicContact CE1-CG 4.49Å; Y141-L145 HydrophobicContact CE2-CD1 4.24Å; Y141-L145 WeakPolarHBondContact O-CG 3.34Å; Y141-L145 PolarHBondContact O-N 3.42Å; Y141-L145 VanDerWaalsContact O-N 3.13Å
142Y70.1Confident62.8Low151 Ų15177.1 Ų77.159%0.59243%0.43SS*.Hα-helixtrans-71.7-33.4178.4-72-62.1000113.3N138 K139 A144 L145 G146N138-Y142 HydrophobicContact CB-CD2 4.48Å; N138-Y142 HydrophobicContact CB-CE2 4.42Å; N138-Y142 WeakPolarHBondContact O-CD2 3.41Å; N138-Y142 PolarHBondContact O-N 3.14Å; K139-Y142 PolarHBondContact O-N 2.81Å; Y142-A144 VanDerWaalsContact C-N 3.33Å; Y142-L145 HydrophobicContact CD1-CD1 4.44Å; Y142-L145 PolarHBondContact O-N 3.47Å; Y142-G146 PolarHBondContact O-N 3Å
143D67.8Low62.6Low41 Ų4174.8 Ų74.822%0.21942%0.419CS..Hα-helixtrans-64.4-39.1173.7-72.3-13.2000111.1K139 G146 A152K139-D143 VanDerWaalsContact O-CB 3.31Å; K139-D143 WeakPolarHBondContact O-CB 3.48Å; K139-D143 PolarHBondContact O-N 2.92Å; D143-G146 PolarHBondContact O-N 2.8Å; D143-A152 VanDerWaalsContact OD2-CB 3.24Å; D143-A152 WeakPolarHBondContact OD2-CB 3.47Å; D143-A152 PolarHBondContact OD2-N 3.47Å
144A63.3Low62.7Low22 Ų2272.8 Ų72.818%0.18242%0.424CS..Hα-helixtrans-67-34.6174.600000112.8C124 M136 Q140 Y141 Y142 G146 I151C124-A144 HydrophobicContact CB-CB 4.24Å; M136-A144 HydrophobicContact CE-CB 4.44Å; Q140-A144 WeakPolarHBondContact O-CB 3.39Å; Q140-A144 PolarHBondContact O-N 2.86Å; Q140-A144 VanDerWaalsContact O-N 3.07Å; Y141-A144 PolarHBondContact O-N 2.97Å; Y142-A144 VanDerWaalsContact C-N 3.33Å; A144-G146 VanDerWaalsContact C-N 3.34Å; A144-I151 HydrophobicContact CB-CD1 4.19Å; A144-I151 HydrophobicContact CB-CG1 4.02Å
145L65.6Low62.6Low106 Ų10673.9 Ų73.956%0.55542%0.422SS*.Hα-helixtrans-78.6-16.3174.6-71.6172.4000113.6Y141 Y142Y141-L145 HydrophobicContact CD1-CD1 3.86Å; Y141-L145 HydrophobicContact CE1-CD1 3.34Å; Y141-L145 HydrophobicContact CE1-CG 4.49Å; Y141-L145 HydrophobicContact CE2-CD1 4.24Å; Y141-L145 WeakPolarHBondContact O-CG 3.34Å; Y141-L145 PolarHBondContact O-N 3.42Å; Y141-L145 VanDerWaalsContact O-N 3.13Å; Y142-L145 HydrophobicContact CD1-CD1 4.44Å; Y142-L145 PolarHBondContact O-N 3.47Å
146G61.8Low62.4Low32 Ų3272.1 Ų72.133%0.3342%0.421SS..SBendtrans-78.6161.1-175.800000114.1Y142 D143 A144 T148 G149Y142-G146 PolarHBondContact O-N 3Å; D143-G146 PolarHBondContact O-N 2.8Å; A144-G146 VanDerWaalsContact C-N 3.34Å; G146-T148 PolarHBondContact O-N 2.94Å; G146-G149 PolarHBondContact O-N 3.23Å
147T50.8Low62Low157 Ų15776 Ų7696%0.96344%0.441SS*.THydrogen-bonded Turntrans-60.9-9.8-17638.10000116.2
148T55.6Low61.6Low106 Ų10681.6 Ų81.665%0.6547%0.469SS*.THydrogen-bonded Turntrans-94.7-15.1-179.951.10000113.5G146 T150G146-T148 PolarHBondContact O-N 2.94Å; T148-T150 PolarHBondContact O-N 2.91Å; T148-T150 PolarHBondContact O-OG1 3.24Å
149G55.8Low61.2Low48 Ų4876.6 Ų76.650%0.49544%0.443SS..  trans55.821.8176.300000115.1G146G146-G149 PolarHBondContact O-N 3.23Å
150T58.3Low61Low90 Ų9078.6 Ų78.655%0.55246%0.461SS*.  trans-127118.1-176.84.30000109T148 A152T148-T150 PolarHBondContact O-N 2.91Å; T148-T150 PolarHBondContact O-OG1 3.24Å; T150-A152 PolarHBondContact O-N 3.39Å
151I61.2Low60.8Low23 Ų2382.8 Ų82.812%0.11849%0.487CS..  trans-75.5120.5178.5-62.1172.7000108.4D120 M136 Q140 A144 N153D120-I151 HydrophobicContact CB-CD1 3.76Å; D120-I151 HydrophobicContact CB-CG1 3.93Å; D120-I151 PolarHBondContact OD2-N 2.86Å; M136-I151 HydrophobicContact CE-CD1 4.23Å; Q140-I151 HydrophobicContact CB-CG2 3.87Å; Q140-I151 HydrophobicContact CG-CG2 3.66Å; A144-I151 HydrophobicContact CB-CD1 4.19Å; A144-I151 HydrophobicContact CB-CG1 4.02Å; I151-N153 WeakPolarHBondContact CG2-O 3.46Å; I151-N153 PolarHBondContact O-N 3.42Å; I151-N153 VanDerWaalsContact O-N 3.09Å
152A58.2Low60.6Low75 Ų7584.8 Ų84.862%0.6250%0.497SS*.SBendtrans-66.8-13-176.700000114D143 T150D143-A152 VanDerWaalsContact OD2-CB 3.24Å; D143-A152 WeakPolarHBondContact OD2-CB 3.47Å; D143-A152 PolarHBondContact OD2-N 3.47Å; T150-A152 PolarHBondContact O-N 3.39Å
153N57.8Low60.6Low28 Ų2883.2 Ų83.215%0.1551%0.506CS..  trans-141.3115.8176.7-168.2-35.7000112.1Q140 I151 E155 S159Q140-N153 HydrophobicContact CG-CB 4.38Å; Q140-N153 PolarHBondContact NE2-O 3.37Å; I151-N153 WeakPolarHBondContact CG2-O 3.46Å; I151-N153 PolarHBondContact O-N 3.42Å; I151-N153 VanDerWaalsContact O-N 3.09Å; N153-E155 VanDerWaalsContact OD1-CB 3.23Å; N153-E155 WeakPolarHBondContact OD1-CB 3.48Å; N153-E155 WeakPolarHBondContact OD1-CG 3.45Å; N153-E155 PolarHBondContact OD1-N 3.15Å; N153-S159 PolarHBondContact ND2-OG 3.45Å; N153-S159 PolarHBondContact OD1-OG 2.8Å
154T60.6Low60.8Low116 Ų11687 Ų8771%0.71253%0.526SS*.  trans-99.36.2-18051.80000114G156T154-G156 PolarHBondContact O-N 2.97Å; T154-G156 VanDerWaalsContact O-N 3.09Å
155E57Low61.4Low124 Ų12490.9 Ų90.958%0.57955%0.55SS*.SBendtrans-75.98.6-174.9-59.6175.516400114.3N153N153-E155 VanDerWaalsContact OD1-CB 3.23Å; N153-E155 WeakPolarHBondContact OD1-CB 3.48Å; N153-E155 WeakPolarHBondContact OD1-CG 3.45Å; N153-E155 PolarHBondContact OD1-N 3.15Å
156G58Low62.1Low35 Ų3594.9 Ų94.936%0.36156%0.563SS.*G310 helixtrans66.8-152.2177.300000114.5T154 N158 S159T154-G156 PolarHBondContact O-N 2.97Å; T154-G156 VanDerWaalsContact O-N 3.09Å; G156-N158 PolarHBondContact O-N 3.47Å; G156-N158 VanDerWaalsContact O-N 3.16Å; G156-S159 WeakPolarHBondContact O-CB 3.41Å; G156-S159 PolarHBondContact O-N 3.32Å
157I56.3Low63.1Low120 Ų120100.8 Ų100.862%0.61558%0.579SS**G310 helixtrans-61.5-23-174.2-66.6158.5000113.3L135 S159L135-I157 HydrophobicContact CB-CD1 4Å; L135-I157 HydrophobicContact CB-CG1 3.97Å; L135-I157 HydrophobicContact CD1-CD1 4.42Å; L135-I157 HydrophobicContact CD2-CD1 3.6Å; L135-I157 HydrophobicContact CD2-CG1 4.26Å; L135-I157 HydrophobicContact CG-CD1 4.19Å; L135-I157 VanDerWaalsContact O-CG1 3.24Å; L135-I157 WeakPolarHBondContact O-CG1 3.48Å; I157-S159 VanDerWaalsContact C-N 3.28Å
158N58.2Low64.6Low148 Ų14897.8 Ų97.879%0.79157%0.565SS**G310 helixtrans-89.78.1179.2-67.3-36.1000113.2G156 V160G156-N158 PolarHBondContact O-N 3.47Å; G156-N158 VanDerWaalsContact O-N 3.16Å; N158-V160 PolarHBondContact O-N 2.86Å
159S62.1Low65.9Low21 Ų21100.8 Ų100.815%0.14757%0.569CS.*  trans-57.1124.7177.7166.80000111.8N153 G156 I157N153-S159 PolarHBondContact ND2-OG 3.45Å; N153-S159 PolarHBondContact OD1-OG 2.8Å; G156-S159 WeakPolarHBondContact O-CB 3.41Å; G156-S159 PolarHBondContact O-N 3.32Å; I157-S159 VanDerWaalsContact C-N 3.28Å
160V63.4Low67.2Low102 Ų102104 Ų10462%0.61858%0.582SS**  trans-83.3117.5169.1-178.40000108.5N158 K162N158-V160 PolarHBondContact O-N 2.86Å; V160-K162 PolarHBondContact O-N 3.13Å; V160-K162 VanDerWaalsContact O-N 3.1Å
161V64.3Low68.3Low100 Ų100109 Ų10961%0.60660%0.599SS**  trans-63112.4175.1-178.50000109.1
162K67.4Low69.3Low135 Ų135116.2 Ų116.259%0.58763%0.632SS**PPolyproline II helixtrans-91.5142.5173.9-63.2179.3-174.4169.10109.8V160V160-K162 PolarHBondContact O-N 3.13Å; V160-K162 VanDerWaalsContact O-N 3.1Å
163P69.8Low70.8Confident119 Ų119118.1 Ų118.177%0.77364%0.638SS**PPolyproline II helixtrans-59.7146.4170.827.4-33.8000109.6
164D71Confident72.3Confident119 Ų119122.4 Ų122.464%0.63667%0.667SS**PPolyproline II helixtrans-62.3134.5174.8-71.6-44.6000110.1K139 F166K139-D164 VanDerWaalsContact CE-OD1 3.3Å; K139-D164 WeakPolarHBondContact CE-OD1 3.32Å; K139-D164 IonicContact NZ-OD1 2.63Å; K139-D164 PolarHBondContact NZ-OD1 3.31Å; D164-F166 PolarHBondContact O-N 2.91Å
165P76.7Confident73.9Confident105 Ų105118.7 Ų118.768%0.68264%0.643SS**PPolyproline II helixtrans-60.8130.5173.125-31.3000108.6K167P165-K167 PolarHBondContact O-N 3.29Å
166F79.7Confident75.6Confident189 Ų189118.8 Ų118.883%0.82965%0.654SS**  trans-57.4114.6176.2-179.8-97.3000109.2D164 S168D164-F166 PolarHBondContact O-N 2.91Å; F166-S168 PolarHBondContact O-N 3.13Å
167K82.9Confident77.3Confident156 Ų156119.2 Ų119.268%0.67865%0.65SS**  trans-78.1103.4173.2-65.5-179.7-177.6176.60107.3P165 F169P165-K167 PolarHBondContact O-N 3.29Å; K167-F169 HydrophobicContact CB-CE2 3.95Å; K167-F169 HydrophobicContact CB-CZ 3.96Å; K167-F169 HydrophobicContact CD-CZ 4.38Å; K167-F169 WeakPolarHBondContact O-CD2 3.36Å; K167-F169 WeakPolarHBondContact O-CE2 3.47Å; K167-F169 PolarHBondContact O-N 3.37Å
168S82.3Confident79.2Confident95 Ų95117.1 Ų117.166%0.66464%0.64SS**  trans-71.8111.9168.457.30000108.4F166F166-S168 PolarHBondContact O-N 3.13Å
169F81.9Confident81Confident168 Ų168110.7 Ų110.774%0.73761%0.606SS**PPolyproline II helixtrans-83.8130.5170.4-62-82.5000108.5K167K167-F169 HydrophobicContact CB-CE2 3.95Å; K167-F169 HydrophobicContact CB-CZ 3.96Å; K167-F169 HydrophobicContact CD-CZ 4.38Å; K167-F169 WeakPolarHBondContact O-CD2 3.36Å; K167-F169 WeakPolarHBondContact O-CE2 3.47Å; K167-F169 PolarHBondContact O-N 3.37Å
170P83.6Confident82.5Confident117 Ų117115.1 Ų115.176%0.7663%0.625SS**PPolyproline II helixtrans-61.7145.6171.227-32.2000109.5E172P170-E172 PolarHBondContact O-N 2.82Å
171E81.1Confident84.1Confident194 Ų194115.5 Ų115.591%0.90762%0.619SS**PPolyproline II helixtrans-62.8131.4173.4-66.1-173.3170.500109.5
172E83.6Confident85.6Confident175 Ų175111.4 Ų111.482%0.81860%0.595SS**PPolyproline II helixtrans-64.4145.9172.3-68.6-176.4174.700109.9P170P170-E172 PolarHBondContact O-N 2.82Å
173P88.7Confident87Confident115 Ų115105.7 Ų105.775%0.74757%0.57SS**PPolyproline II helixtrans-60.2149.2176.326.9-34.3000110.6
174P90.3Very high88.3Confident117 Ų117106 Ų10676%0.7656%0.561SS**PPolyproline II helixtrans-60.6150.5176.527.3-34.6000110.7P176P174-P176 WeakPolarHBondContact O-CD 3.4Å
175N93Very high89.5Confident38 Ų38104.1 Ų104.120%0.20355%0.545CS..PPolyproline II helixtrans-58.2122.3176.9-178.1-12.9000109.8T177 N197 N199 I201N175-T177 VanDerWaalsContact C-N 3.28Å; N175-T177 PolarHBondContact O-N 3.14Å; N175-T177 WeakPolarHBondContact OD1-CB 3.45Å; N175-T177 PolarHBondContact OD1-N 3.39Å; N175-T177 PolarHBondContact OD1-OG1 3.07Å; N175-N197 PolarHBondContact ND2-O 2.69Å; N175-N199 VanDerWaalsContact CB-O 3.3Å; N175-N199 WeakPolarHBondContact CB-O 3.44Å; N175-N199 PolarHBondContact ND2-N 3.42Å; N175-N199 PolarHBondContact ND2-O 2.98Å; N175-I201 HydrophobicContact CB-CD1 4.43Å; N175-I201 HydrophobicContact CB-CG1 3.8Å
176P93.1Very high90.5Very high127 Ų12799.2 Ų99.283%0.82551%0.513SS*.  trans-80-4.9-175.233.3-37.2000114P174 N178P174-P176 WeakPolarHBondContact O-CD 3.4Å; P176-N178 PolarHBondContact O-N 3.44Å
177T94.7Very high91.3Very high44 Ų4495.5 Ų95.527%0.2750%0.502SS..  trans-61.2126.6-176-58.80000111.5N175 T182 N197 L198N175-T177 VanDerWaalsContact C-N 3.28Å; N175-T177 PolarHBondContact O-N 3.14Å; N175-T177 WeakPolarHBondContact OD1-CB 3.45Å; N175-T177 PolarHBondContact OD1-N 3.39Å; N175-T177 PolarHBondContact OD1-OG1 3.07Å; T177-T182 WeakPolarHBondContact CG2-OG1 3.21Å; T177-N197 PolarHBondContact OG1-O 3.29Å; T177-N197 VanDerWaalsContact OG1-O 3.12Å; T177-L198 HydrophobicContact CG2-CD2 3.76Å
178N95.3Very high92Very high76 Ų7694.1 Ų94.141%0.40650%0.502SS..  trans-82.3120.8171.9-176-60.3000109.8P176 E180 E181 T182P176-N178 PolarHBondContact O-N 3.44Å; N178-E180 PolarHBondContact OD1-N 3.05Å; N178-E180 VanDerWaalsContact OD1-N 3.14Å; N178-E180 PolarHBondContact OD1-OE2 3.09Å; N178-E181 HydrophobicContact CB-CB 4.08Å; N178-E181 WeakPolarHBondContact OD1-CB 3.2Å; N178-E181 PolarHBondContact OD1-N 2.67Å; N178-T182 VanDerWaalsContact O-CB 3.28Å; N178-T182 WeakPolarHBondContact O-CB 3.38Å; N178-T182 PolarHBondContact O-N 3.23Å; N178-T182 VanDerWaalsContact O-N 3.13Å; N178-T182 PolarHBondContact O-OG1 2.9Å
179V95.1Very high92.6Very high12 Ų1292.2 Ų92.27%0.07348%0.484CS..Hα-helixtrans-71.2-44-171.9-1780000111.2T182 L183 L198 I201 I204 T208V179-T182 PolarHBondContact O-N 3.46Å; V179-L183 WeakPolarHBondContact O-CB 3.48Å; V179-L183 PolarHBondContact O-N 3.12Å; V179-L198 HydrophobicContact CG2-CD2 4.37Å; V179-I201 HydrophobicContact CG2-CD1 4.06Å; V179-I201 HydrophobicContact CG2-CG2 4.17Å; V179-I204 HydrophobicContact CG1-CD1 4.48Å; V179-I204 HydrophobicContact CG1-CG2 4.05Å; V179-I204 HydrophobicContact CG2-CD1 3.84Å; V179-I204 HydrophobicContact CG2-CG1 4.06Å; V179-T208 HydrophobicContact CG1-CG2 3.78Å
180E94.7Very high93.4Very high115 Ų11586.2 Ų86.254%0.53746%0.46SS..Hα-helixtrans-66.4-47.1-177.1-64.975.6-168.500111.5N178 T182 L183 E184N178-E180 PolarHBondContact OD1-N 3.05Å; N178-E180 VanDerWaalsContact OD1-N 3.14Å; N178-E180 PolarHBondContact OD1-OE2 3.09Å; E180-T182 VanDerWaalsContact C-N 3.3Å; E180-T182 PolarHBondContact O-N 3.42Å; E180-L183 PolarHBondContact O-N 3.02Å; E180-E184 WeakPolarHBondContact O-CG 3.28Å; E180-E184 PolarHBondContact O-N 3Å
181E95.9Very high93.9Very high109 Ų10984.8 Ų84.851%0.50945%0.453SS..Hα-helixtrans-61.4-41.8175.6-174.8-175.1165.900111N178 E184 R185N178-E181 HydrophobicContact CB-CB 4.08Å; N178-E181 WeakPolarHBondContact OD1-CB 3.2Å; N178-E181 PolarHBondContact OD1-N 2.67Å; E181-E184 PolarHBondContact O-N 3.49Å; E181-R185 VanDerWaalsContact O-CG 3.3Å; E181-R185 WeakPolarHBondContact O-CG 3.45Å; E181-R185 PolarHBondContact O-N 2.96Å
182T96.8Very high94.7Very high14 Ų1479.2 Ų79.29%0.08644%0.435CS..Hα-helixtrans-64.2-43.1178-56.70000111.1T177 N178 V179 E180 R185 I186 L193 V196T177-T182 WeakPolarHBondContact CG2-OG1 3.21Å; N178-T182 VanDerWaalsContact O-CB 3.28Å; N178-T182 WeakPolarHBondContact O-CB 3.38Å; N178-T182 PolarHBondContact O-N 3.23Å; N178-T182 VanDerWaalsContact O-N 3.13Å; N178-T182 PolarHBondContact O-OG1 2.9Å; V179-T182 PolarHBondContact O-N 3.46Å; E180-T182 VanDerWaalsContact C-N 3.3Å; E180-T182 PolarHBondContact O-N 3.42Å; T182-R185 PolarHBondContact O-N 3.39Å; T182-I186 HydrophobicContact CG2-CD1 4.15Å; T182-I186 VanDerWaalsContact O-CG1 3.28Å; T182-I186 WeakPolarHBondContact O-CG1 3.33Å; T182-I186 PolarHBondContact O-N 3.12Å; T182-L193 HydrophobicContact CG2-CD2 4.38Å; T182-V196 HydrophobicContact CG2-CG1 3.84Å; T182-V196 HydrophobicContact CG2-CG2 4.12Å
183L96.7Very high95.3Very high15 Ų1571.5 Ų71.58%0.07940%0.4CS..Hα-helixtrans-60-45.2175.1175.159.4000111.6V179 E180 R185 I186 L187 T208 E211 V212 A215V179-L183 WeakPolarHBondContact O-CB 3.48Å; V179-L183 PolarHBondContact O-N 3.12Å; E180-L183 PolarHBondContact O-N 3.02Å; L183-R185 VanDerWaalsContact C-N 3.29Å; L183-R185 PolarHBondContact O-N 2.82Å; L183-I186 PolarHBondContact O-N 2.95Å; L183-L187 HydrophobicContact CD1-CD1 4.16Å; L183-L187 HydrophobicContact CD1-CG 4.23Å; L183-L187 HydrophobicContact CG-CD1 4.06Å; L183-L187 WeakPolarHBondContact O-CB 3.35Å; L183-L187 WeakPolarHBondContact O-CG 3.3Å; L183-L187 PolarHBondContact O-N 3.24Å; L183-T208 HydrophobicContact CD2-CG2 4.22Å; L183-E211 HydrophobicContact CD1-CB 4.27Å; L183-E211 HydrophobicContact CD2-CB 4.12Å; L183-V212 HydrophobicContact CB-CG2 4.43Å; L183-V212 HydrophobicContact CD1-CG2 3.93Å; L183-A215 HydrophobicContact CD1-CB 4.22Å
184E96.9Very high95.8Very high125 Ų12569.5 Ų69.558%0.58439%0.385SS*.Hα-helixtrans-59.2-40.6175.2-74.1-176.6-179.600111.9E180 E181 L187 N188E180-E184 WeakPolarHBondContact O-CG 3.28Å; E180-E184 PolarHBondContact O-N 3Å; E181-E184 PolarHBondContact O-N 3.49Å; E184-L187 PolarHBondContact O-N 2.97Å; E184-N188 WeakPolarHBondContact O-CB 3.19Å; E184-N188 VanDerWaalsContact O-CG 3.27Å; E184-N188 PolarHBondContact O-N 2.94Å; E184-N188 PolarHBondContact O-ND2 3.35Å
185R97.3Very high96.1Very high80 Ų8069.5 Ų69.530%0.30238%0.375SS..Hα-helixtrans-68.4-36.9177.4-69.4176.570.6-166.5-1112.8E181 T182 L183 N188 N189 D190 S192 L193E181-R185 VanDerWaalsContact O-CG 3.3Å; E181-R185 WeakPolarHBondContact O-CG 3.45Å; E181-R185 PolarHBondContact O-N 2.96Å; T182-R185 PolarHBondContact O-N 3.39Å; L183-R185 VanDerWaalsContact C-N 3.29Å; L183-R185 PolarHBondContact O-N 2.82Å; R185-N188 PolarHBondContact O-N 3.28Å; R185-N189 PolarHBondContact O-N 3.25Å; R185-D190 HydrophobicContact CB-CB 4.2Å; R185-D190 IonicContact CZ-OD2 2.68Å; R185-D190 VanDerWaalsContact CZ-OD2 3.25Å; R185-D190 IonicContact NE-OD2 3.35Å; R185-D190 PolarHBondContact NE-OD2 2.99Å; R185-D190 IonicContact NH2-OD2 3.98Å; R185-D190 PolarHBondContact NH2-OD2 2.89Å; R185-D190 WeakPolarHBondContact O-CB 3.45Å; R185-D190 PolarHBondContact O-N 3Å; R185-S192 PolarHBondContact NH2-OG 2.94Å; R185-L193 HydrophobicContact CB-CD2 3.83Å
186I96.9Very high96.3Very high2 Ų267.8 Ų67.81%0.0137%0.366CS..Hα-helixtrans-63.4-47.5173.4-65.3167.1000109.9T182 L183 N188 N189 L193 V196 V212 A215 M216 N219 V222T182-I186 HydrophobicContact CG2-CD1 4.15Å; T182-I186 VanDerWaalsContact O-CG1 3.28Å; T182-I186 WeakPolarHBondContact O-CG1 3.33Å; T182-I186 PolarHBondContact O-N 3.12Å; L183-I186 PolarHBondContact O-N 2.95Å; I186-N188 VanDerWaalsContact C-N 3.31Å; I186-N188 PolarHBondContact O-N 3.3Å; I186-N189 PolarHBondContact O-N 3.45Å; I186-L193 HydrophobicContact CG1-CD2 3.67Å; I186-V196 HydrophobicContact CD1-CG1 4.29Å; I186-V196 HydrophobicContact CD1-CG2 4.02Å; I186-V196 HydrophobicContact CG1-CG2 4.24Å; I186-V212 HydrophobicContact CD1-CG1 4Å; I186-A215 HydrophobicContact CG2-CB 3.69Å; I186-M216 HydrophobicContact CD1-SD 4.49Å; I186-M216 HydrophobicContact CG2-CG 3.97Å; I186-M216 HydrophobicContact CG2-SD 3.79Å; I186-N219 HydrophobicContact CG2-CB 4.33Å; I186-N219 PolarHBondContact O-ND2 3.41Å; I186-V222 HydrophobicContact CG1-CG2 4.48Å
187L96.5Very high96.5Very high111 Ų11164.3 Ų64.358%0.58134%0.341SS*.Hα-helixtrans-61.2-38.3178.3-75.8167.9000112.5L183 E184 N189 A215L183-L187 HydrophobicContact CD1-CD1 4.16Å; L183-L187 HydrophobicContact CD1-CG 4.23Å; L183-L187 HydrophobicContact CG-CD1 4.06Å; L183-L187 WeakPolarHBondContact O-CB 3.35Å; L183-L187 WeakPolarHBondContact O-CG 3.3Å; L183-L187 PolarHBondContact O-N 3.24Å; E184-L187 PolarHBondContact O-N 2.97Å; L187-N189 PolarHBondContact O-N 2.93Å; L187-A215 HydrophobicContact CD2-CB 3.5Å; L187-A215 VanDerWaalsContact CD2-CB 3.5Å; L187-A215 HydrophobicContact CG-CB 3.88Å
188N97.1Very high96.6Very high128 Ų12862.3 Ų62.368%0.68433%0.328SS*.THydrogen-bonded Turntrans-77.81.5176.4-71.4-45.5000113.6E184 R185 I186 D190E184-N188 WeakPolarHBondContact O-CB 3.19Å; E184-N188 VanDerWaalsContact O-CG 3.27Å; E184-N188 PolarHBondContact O-N 2.94Å; E184-N188 PolarHBondContact O-ND2 3.35Å; R185-N188 PolarHBondContact O-N 3.28Å; I186-N188 VanDerWaalsContact C-N 3.31Å; I186-N188 PolarHBondContact O-N 3.3Å; N188-D190 VanDerWaalsContact C-N 3.28Å; N188-D190 PolarHBondContact O-N 3.16Å
189N96.3Very high96.7Very high54 Ų5460.1 Ų60.129%0.28932%0.316SS..THydrogen-bonded Turntrans48.449.5-175.6-163.933.3000112R185 I186 L187 S191 N219 S220 H221R185-N189 PolarHBondContact O-N 3.25Å; I186-N189 PolarHBondContact O-N 3.45Å; L187-N189 PolarHBondContact O-N 2.93Å; N189-S191 PolarHBondContact O-N 3.26Å; N189-N219 PolarHBondContact OD1-ND2 3.14Å; N189-S220 PolarHBondContact ND2-OG 2.94Å; N189-S220 PolarHBondContact OD1-N 3Å; N189-S220 PolarHBondContact OD1-OG 3.02Å; N189-H221 PolarHBondContact O-CD2 3.37Å; N189-H221 VanDerWaalsContact O-CD2 3.27Å; N189-H221 PolarHBondContact OD1-CD2 3.02Å; N189-H221 VanDerWaalsContact OD1-CD2 3.24Å
190D97.2Very high96.6Very high42 Ų4264.6 Ų64.623%0.22534%0.34CS..  trans-62.7116.6-178.4177.52.7000111.3R185 N188 S192 L193R185-D190 HydrophobicContact CB-CB 4.2Å; R185-D190 IonicContact CZ-OD2 2.68Å; R185-D190 VanDerWaalsContact CZ-OD2 3.25Å; R185-D190 IonicContact NE-OD2 3.35Å; R185-D190 PolarHBondContact NE-OD2 2.99Å; R185-D190 IonicContact NH2-OD2 3.98Å; R185-D190 PolarHBondContact NH2-OD2 2.89Å; R185-D190 WeakPolarHBondContact O-CB 3.45Å; R185-D190 PolarHBondContact O-N 3Å; N188-D190 VanDerWaalsContact C-N 3.28Å; N188-D190 PolarHBondContact O-N 3.16Å; D190-S192 PolarHBondContact O-N 3.11Å; D190-S192 VanDerWaalsContact O-N 3.12Å; D190-S192 WeakPolarHBondContact OD1-CB 3.39Å; D190-S192 PolarHBondContact OD1-N 3.12Å; D190-S192 PolarHBondContact OD1-OG 2.87Å; D190-S192 PolarHBondContact OD2-OG 2.56Å; D190-L193 HydrophobicContact CB-CB 4.28Å; D190-L193 PolarHBondContact O-N 3.34Å
191S95.9Very high96.6Very high88 Ų8860.4 Ų60.462%0.61532%0.321SS*.THydrogen-bonded Turntrans-62.5-18.718062.60000114.9N189N189-S191 PolarHBondContact O-N 3.26Å
192S97.1Very high95.9Very high77 Ų7762.8 Ų62.854%0.53833%0.33SS..THydrogen-bonded Turntrans-84.8-13.6177.770.70000113.3R185 D190 T194R185-S192 PolarHBondContact NH2-OG 2.94Å; D190-S192 PolarHBondContact O-N 3.11Å; D190-S192 VanDerWaalsContact O-N 3.12Å; D190-S192 WeakPolarHBondContact OD1-CB 3.39Å; D190-S192 PolarHBondContact OD1-N 3.12Å; D190-S192 PolarHBondContact OD1-OG 2.87Å; D190-S192 PolarHBondContact OD2-OG 2.56Å; S192-T194 PolarHBondContact O-N 3.34Å
193L96.9Very high95.5Very high13 Ų1367.7 Ų67.77%0.06836%0.355CS..  trans-92.895.1-178.9-173.468.1000110.1T182 R185 I186 D190 V196 H221 V222T182-L193 HydrophobicContact CG2-CD2 4.38Å; R185-L193 HydrophobicContact CB-CD2 3.83Å; I186-L193 HydrophobicContact CG1-CD2 3.67Å; D190-L193 HydrophobicContact CB-CB 4.28Å; D190-L193 PolarHBondContact O-N 3.34Å; L193-V196 HydrophobicContact CD1-CG2 4.21Å; L193-V196 HydrophobicContact CD2-CG2 3.92Å; L193-V196 HydrophobicContact CG-CG2 4.03Å; L193-H221 CarbonylContact O-C 3.58Å; L193-V222 HydrophobicContact CD2-CG2 4.18Å; L193-V222 HydrophobicContact CG-CG2 4.12Å; L193-V222 WeakPolarHBondContact O-CG2 3.35Å
194T97.4Very high95.3Very high73 Ų7367.7 Ų67.745%0.44836%0.355SS..  trans-100.7-26.6178.956.60000113.2S192 E223 V224S192-T194 PolarHBondContact O-N 3.34Å; T194-E223 PolarHBondContact O-N 3.4Å; T194-V224 PolarHBondContact O-N 3.48Å; T194-V224 VanDerWaalsContact O-N 3.14Å
195E97.8Very high95.3Very high116 Ų11665 Ų6554%0.54235%0.349SS..EExtended strand (participates in β ladder)trans-127.8128.4-178.1-179.4174.5175.500110.6V224E195-V224 WeakPolarHBondContact CA-O 3.36Å; E195-V224 HydrophobicContact CB-CB 4.31Å; E195-V224 HydrophobicContact CG-CB 4.04Å; E195-V224 HydrophobicContact CG-CG1 4.09Å
196V97.7Very high95.2Very high2 Ų263.3 Ų63.31%0.01235%0.345CS..EExtended strand (participates in β ladder)trans-118.7109.2176.6175.30000108.5T182 I186 L193 L198 V222 V224 L225 S226T182-V196 HydrophobicContact CG2-CG1 3.84Å; T182-V196 HydrophobicContact CG2-CG2 4.12Å; I186-V196 HydrophobicContact CD1-CG1 4.29Å; I186-V196 HydrophobicContact CD1-CG2 4.02Å; I186-V196 HydrophobicContact CG1-CG2 4.24Å; L193-V196 HydrophobicContact CD1-CG2 4.21Å; L193-V196 HydrophobicContact CD2-CG2 3.92Å; L193-V196 HydrophobicContact CG-CG2 4.03Å; V196-L198 HydrophobicContact CG1-CD1 4.37Å; V196-L198 HydrophobicContact CG1-CD2 4.41Å; V196-L198 HydrophobicContact CG1-CG 4.04Å; V196-V222 HydrophobicContact CB-CG1 4.35Å; V196-V222 HydrophobicContact CG2-CG1 3.83Å; V196-V222 HydrophobicContact CG2-CG2 3.96Å; V196-V224 PolarHBondContact N-O 3.49Å; V196-L225 HydrophobicContact CB-CD1 3.76Å; V196-L225 HydrophobicContact CG1-CD1 3.49Å; V196-L225 VanDerWaalsContact CG1-CD1 3.49Å; V196-L225 WeakPolarHBondContact O-CA 3.3Å; V196-S226 PolarHBondContact O-N 3.09Å
197N97.3Very high95.2Very high55 Ų5567 Ų6729%0.29437%0.369SS..EExtended strand (participates in β ladder)trans-117.3103.4-179.9-176.6-9.7000111N175 T177 N199N175-N197 PolarHBondContact ND2-O 2.69Å; T177-N197 PolarHBondContact OG1-O 3.29Å; T177-N197 VanDerWaalsContact OG1-O 3.12Å; N197-N199 WeakPolarHBondContact OD1-CB 3.1Å; N197-N199 PolarHBondContact OD1-N 2.87Å; N197-N199 PolarHBondContact OD1-ND2 2.84Å
198L96.8Very high95.2Very high1 Ų162.8 Ų62.81%0.00535%0.348CS..  trans-105.318.4176.4-54.4-178.1000112T177 V179 V196 I201 I204 L209 S226 I227 T230T177-L198 HydrophobicContact CG2-CD2 3.76Å; V179-L198 HydrophobicContact CG2-CD2 4.37Å; V196-L198 HydrophobicContact CG1-CD1 4.37Å; V196-L198 HydrophobicContact CG1-CD2 4.41Å; V196-L198 HydrophobicContact CG1-CG 4.04Å; L198-I201 HydrophobicContact CB-CD1 4.26Å; L198-I201 HydrophobicContact CD2-CD1 4.04Å; L198-I201 PolarHBondContact O-N 3.05Å; L198-I204 HydrophobicContact CB-CD1 4.23Å; L198-I204 HydrophobicContact CD1-CD1 4.48Å; L198-L209 HydrophobicContact CD1-CD2 4.42Å; L198-S226 PolarHBondContact N-O 2.95Å; L198-I227 HydrophobicContact CB-CG2 4.12Å; L198-I227 HydrophobicContact CD1-CG2 4.04Å; L198-I227 HydrophobicContact CG-CG2 4.45Å; L198-T230 WeakPolarHBondContact O-CG2 3.16Å
199N96.3Very high95.2Very high30 Ų3056.8 Ų56.816%0.1632%0.316CS..THydrogen-bonded Turntrans-62140.7-176.1-65.5-14.9000111.6N175 N197 I201 S226 A228N175-N199 VanDerWaalsContact CB-O 3.3Å; N175-N199 WeakPolarHBondContact CB-O 3.44Å; N175-N199 PolarHBondContact ND2-N 3.42Å; N175-N199 PolarHBondContact ND2-O 2.98Å; N197-N199 WeakPolarHBondContact OD1-CB 3.1Å; N197-N199 PolarHBondContact OD1-N 2.87Å; N197-N199 PolarHBondContact OD1-ND2 2.84Å; N199-I201 PolarHBondContact O-N 3.33Å; N199-S226 PolarHBondContact ND2-OG 2.84Å; N199-S226 VanDerWaalsContact OD1-C 3.27Å; N199-S226 VanDerWaalsContact OD1-CB 3.3Å; N199-S226 WeakPolarHBondContact OD1-CB 3.45Å; N199-S226 PolarHBondContact OD1-O 3.25Å; N199-S226 PolarHBondContact OD1-OG 3.01Å; N199-A228 VanDerWaalsContact CA-O 3.32Å; N199-A228 WeakPolarHBondContact CA-O 3.38Å; N199-A228 HydrophobicContact CB-CB 4.45Å; N199-A228 WeakPolarHBondContact OD1-CB 3.43Å; N199-A228 PolarHBondContact OD1-N 3.27Å
200N94.3Very high95.2Very high107 Ų10758.1 Ų58.157%0.57232%0.319SS*.THydrogen-bonded Turntrans59.310.2174.8-51.8-62000115.3K202 A228N200-K202 PolarHBondContact O-N 3.15Å; N200-A228 PolarHBondContact N-O 2.97Å
201I93.6Very high95.2Very high26 Ų2661 Ų6113%0.13333%0.331CS..  trans-75.5111.7170.6-58.7176.7000107N175 V179 L198 N199 I204N175-I201 HydrophobicContact CB-CD1 4.43Å; N175-I201 HydrophobicContact CB-CG1 3.8Å; V179-I201 HydrophobicContact CG2-CD1 4.06Å; V179-I201 HydrophobicContact CG2-CG2 4.17Å; L198-I201 HydrophobicContact CB-CD1 4.26Å; L198-I201 HydrophobicContact CD2-CD1 4.04Å; L198-I201 PolarHBondContact O-N 3.05Å; N199-I201 PolarHBondContact O-N 3.33Å; I201-I204 HydrophobicContact CB-CD1 3.86Å; I201-I204 HydrophobicContact CB-CG1 4.1Å; I201-I204 HydrophobicContact CG2-CD1 3.83Å; I201-I204 HydrophobicContact CG2-CG1 3.6Å
202K81.8Confident95.3Very high160 Ų16056.9 Ų56.970%0.69630%0.302SS*.THydrogen-bonded Turntrans-78.5146179.1-61.6176.7-174.4171.90108.9N200 I204N200-K202 PolarHBondContact O-N 3.15Å; K202-I204 PolarHBondContact O-N 2.91Å
203D87.5Confident95.3Very high117 Ų11753.2 Ų53.263%0.62628%0.277SS*.THydrogen-bonded Turntrans68.428.3169.5-47.4-46.2000116.2P205 R231D203-P205 WeakPolarHBondContact O-CD 3.36Å; D203-R231 IonicContact OD1-NH1 3.25Å; D203-R231 PolarHBondContact OD1-NH1 2.8Å
204I94.2Very high95.3Very high14 Ų1455.7 Ų55.77%0.07229%0.29CS..  trans-65.3126.1164.5-51-178.5000108.9V179 L198 I201 K202 I206 T208 L209 T230V179-I204 HydrophobicContact CG1-CD1 4.48Å; V179-I204 HydrophobicContact CG1-CG2 4.05Å; V179-I204 HydrophobicContact CG2-CD1 3.84Å; V179-I204 HydrophobicContact CG2-CG1 4.06Å; L198-I204 HydrophobicContact CB-CD1 4.23Å; L198-I204 HydrophobicContact CD1-CD1 4.48Å; I201-I204 HydrophobicContact CB-CD1 3.86Å; I201-I204 HydrophobicContact CB-CG1 4.1Å; I201-I204 HydrophobicContact CG2-CD1 3.83Å; I201-I204 HydrophobicContact CG2-CG1 3.6Å; K202-I204 PolarHBondContact O-N 2.91Å; I204-I206 PolarHBondContact O-N 3.13Å; I204-T208 HydrophobicContact CG2-CG2 4.27Å; I204-L209 HydrophobicContact CB-CD1 4.28Å; I204-L209 HydrophobicContact CB-CD2 4.45Å; I204-L209 HydrophobicContact CB-CG 4.2Å; I204-L209 HydrophobicContact CD1-CD2 4.16Å; I204-L209 HydrophobicContact CG2-CD1 4.27Å; I204-L209 HydrophobicContact CG2-CD2 3.98Å; I204-L209 HydrophobicContact CG2-CG 3.67Å; I204-T230 HydrophobicContact CD1-CG2 4.21Å
205P95.6Very high95.3Very high69 Ų6952.9 Ų52.945%0.44828%0.275SS..  trans-60.6135.9174.8-22.133.4000111.4D203 P207 T208 L209D203-P205 WeakPolarHBondContact O-CD 3.36Å; P205-P207 VanDerWaalsContact C-CD 3.41Å; P205-P207 VanDerWaalsContact C-N 3.29Å; P205-T208 WeakPolarHBondContact O-CB 3.41Å; P205-T208 PolarHBondContact O-N 3.11Å; P205-L209 PolarHBondContact O-N 3.3Å; P205-L209 VanDerWaalsContact O-N 3.12Å
206I95.5Very high95.2Very high45 Ų4547.4 Ų47.423%0.23125%0.249CC..Hα-helixtrans-52.9-40.9175.4-62.3-60.8000112.7I204 T208 L209 K210 P235 V236I204-I206 PolarHBondContact O-N 3.13Å; I206-T208 VanDerWaalsContact C-N 3.32Å; I206-T208 PolarHBondContact O-N 2.9Å; I206-L209 HydrophobicContact CD1-CD1 4.39Å; I206-L209 PolarHBondContact O-N 2.97Å; I206-K210 HydrophobicContact CG2-CD 4.45Å; I206-K210 WeakPolarHBondContact O-CG 3.41Å; I206-K210 PolarHBondContact O-N 2.94Å; I206-P235 HydrophobicContact CG2-CB 4.28Å; I206-V236 HydrophobicContact CD1-CG2 4.01Å; I206-V236 HydrophobicContact CG2-CG2 3.87Å
207P96.9Very high95.1Very high79 Ų7949 Ų4951%0.51326%0.256SS..Hα-helixtrans-58-41.9174.2-25.636.1000113.1P205 L209 K210 E211P205-P207 VanDerWaalsContact C-CD 3.41Å; P205-P207 VanDerWaalsContact C-N 3.29Å; P207-L209 PolarHBondContact O-N 2.91Å; P207-K210 WeakPolarHBondContact O-CB 3.35Å; P207-K210 PolarHBondContact O-N 2.91Å; P207-E211 WeakPolarHBondContact O-CG 3.36Å; P207-E211 PolarHBondContact O-N 3.38Å
208T96.4Very high95Very high23 Ų2354.7 Ų54.714%0.14128%0.28CS..Hα-helixtrans-63.7-41.8177.9-50.70000111.6V179 L183 I204 P205 I206 K210 E211 V212V179-T208 HydrophobicContact CG1-CG2 3.78Å; L183-T208 HydrophobicContact CD2-CG2 4.22Å; I204-T208 HydrophobicContact CG2-CG2 4.27Å; P205-T208 WeakPolarHBondContact O-CB 3.41Å; P205-T208 PolarHBondContact O-N 3.11Å; I206-T208 VanDerWaalsContact C-N 3.32Å; I206-T208 PolarHBondContact O-N 2.9Å; T208-K210 VanDerWaalsContact C-N 3.32Å; T208-K210 PolarHBondContact O-N 2.87Å; T208-E211 WeakPolarHBondContact O-CB 3.3Å; T208-E211 PolarHBondContact O-N 2.91Å; T208-V212 WeakPolarHBondContact O-CG2 3.36Å; T208-V212 PolarHBondContact O-N 2.8Å
209L96.4Very high95Very high1 Ų154.8 Ų54.81%0.00528%0.281CS..Hα-helixtrans-63.9-38.5174.6-72.9168.1000112.1L198 I204 P205 I206 P207 V212 F213 I227 S232 V236L198-L209 HydrophobicContact CD1-CD2 4.42Å; I204-L209 HydrophobicContact CB-CD1 4.28Å; I204-L209 HydrophobicContact CB-CD2 4.45Å; I204-L209 HydrophobicContact CB-CG 4.2Å; I204-L209 HydrophobicContact CD1-CD2 4.16Å; I204-L209 HydrophobicContact CG2-CD1 4.27Å; I204-L209 HydrophobicContact CG2-CD2 3.98Å; I204-L209 HydrophobicContact CG2-CG 3.67Å; P205-L209 PolarHBondContact O-N 3.3Å; P205-L209 VanDerWaalsContact O-N 3.12Å; I206-L209 HydrophobicContact CD1-CD1 4.39Å; I206-L209 PolarHBondContact O-N 2.97Å; P207-L209 PolarHBondContact O-N 2.91Å; L209-V212 WeakPolarHBondContact O-CB 3.32Å; L209-V212 PolarHBondContact O-N 2.82Å; L209-F213 WeakPolarHBondContact O-CD2 3.27Å; L209-F213 PolarHBondContact O-N 3.1Å; L209-I227 HydrophobicContact CD2-CG2 4.21Å; L209-S232 WeakPolarHBondContact CD1-OG 3.3Å; L209-V236 HydrophobicContact CB-CG1 4.2Å; L209-V236 HydrophobicContact CB-CG2 4.01Å; L209-V236 HydrophobicContact CD1-CG2 4.41Å
210K97.5Very high95Very high82 Ų8256 Ų5636%0.35729%0.292SS..Hα-helixtrans-62.9-45.1173.4-71.3-179.770.6-153.70111.4I206 P207 T208 V212 F213 D214 P235 V236 A239I206-K210 HydrophobicContact CG2-CD 4.45Å; I206-K210 WeakPolarHBondContact O-CG 3.41Å; I206-K210 PolarHBondContact O-N 2.94Å; P207-K210 WeakPolarHBondContact O-CB 3.35Å; P207-K210 PolarHBondContact O-N 2.91Å; T208-K210 VanDerWaalsContact C-N 3.32Å; T208-K210 PolarHBondContact O-N 2.87Å; K210-V212 VanDerWaalsContact C-N 3.26Å; K210-V212 PolarHBondContact O-N 2.73Å; K210-F213 PolarHBondContact O-N 3.39Å; K210-D214 PolarHBondContact O-N 3.13Å; K210-P235 HydrophobicContact CD-CB 4.25Å; K210-V236 HydrophobicContact CG-CG2 4.47Å; K210-A239 HydrophobicContact CB-CB 4.35Å; K210-A239 HydrophobicContact CG-CB 4.22Å
211E96.9Very high95.2Very high102 Ų10254 Ų5448%0.47728%0.279SS..Hα-helixtrans-59.2-37.4176.3-74.2171-165.300112L183 P207 T208 D214 A215L183-E211 HydrophobicContact CD1-CB 4.27Å; L183-E211 HydrophobicContact CD2-CB 4.12Å; P207-E211 WeakPolarHBondContact O-CG 3.36Å; P207-E211 PolarHBondContact O-N 3.38Å; T208-E211 WeakPolarHBondContact O-CB 3.3Å; T208-E211 PolarHBondContact O-N 2.91Å; E211-D214 PolarHBondContact O-N 3.41Å; E211-A215 WeakPolarHBondContact O-CB 3.35Å; E211-A215 PolarHBondContact O-N 3.43Å
212V97.1Very high95.4Very high2 Ų252.8 Ų52.81%0.01227%0.273CS..Hα-helixtrans-58.8-48.9172169.80000110.9L183 I186 T208 L209 K210 A215 M216 L225L183-V212 HydrophobicContact CB-CG2 4.43Å; L183-V212 HydrophobicContact CD1-CG2 3.93Å; I186-V212 HydrophobicContact CD1-CG1 4Å; T208-V212 WeakPolarHBondContact O-CG2 3.36Å; T208-V212 PolarHBondContact O-N 2.8Å; L209-V212 WeakPolarHBondContact O-CB 3.32Å; L209-V212 PolarHBondContact O-N 2.82Å; K210-V212 VanDerWaalsContact C-N 3.26Å; K210-V212 PolarHBondContact O-N 2.73Å; V212-A215 PolarHBondContact O-N 2.85Å; V212-M216 WeakPolarHBondContact O-CB 3.37Å; V212-M216 WeakPolarHBondContact O-CG 3.3Å; V212-M216 PolarHBondContact O-N 3.5Å; V212-L225 HydrophobicContact CG1-CD1 4.42Å
213F97.5Very high96.2Very high0 Ų049.2 Ų49.20%026%0.259CS..Hα-helixtrans-67.1-37.9178.2-76.9-71000113L209 K210 M216 K217 L225 I227 V236 A239 C240 M243 L253L209-F213 WeakPolarHBondContact O-CD2 3.27Å; L209-F213 PolarHBondContact O-N 3.1Å; K210-F213 PolarHBondContact O-N 3.39Å; F213-M216 WeakPolarHBondContact O-CB 3.4Å; F213-M216 PolarHBondContact O-N 2.96Å; F213-K217 PolarHBondContact O-N 3.16Å; F213-L225 HydrophobicContact CD1-CD2 4.19Å; F213-L225 HydrophobicContact CE1-CD2 3.65Å; F213-L225 HydrophobicContact CZ-CD2 4.16Å; F213-I227 HydrophobicContact CE2-CD1 3.67Å; F213-I227 HydrophobicContact CZ-CD1 3.65Å; F213-I227 HydrophobicContact CZ-CG1 4.26Å; F213-V236 HydrophobicContact CD2-CG1 3.73Å; F213-V236 HydrophobicContact CE2-CG1 3.37Å; F213-V236 HydrophobicContact CZ-CG1 4.45Å; F213-A239 HydrophobicContact CB-CB 3.88Å; F213-C240 HydrophobicContact CD1-CB 3.73Å; F213-C240 HydrophobicContact CD2-CB 4.37Å; F213-C240 HydrophobicContact CE1-CB 3.61Å; F213-C240 HydrophobicContact CE2-CB 4.29Å; F213-C240 HydrophobicContact CG-CB 4.12Å; F213-C240 HydrophobicContact CZ-CB 3.92Å; F213-M243 HydrophobicContact CB-CB 4.38Å; F213-M243 HydrophobicContact CD1-CB 4.36Å; F213-M243 HydrophobicContact CD1-CE 3.65Å; F213-M243 HydrophobicContact CD1-CG 4.44Å; F213-M243 HydrophobicContact CE1-CE 3.86Å; F213-M243 WeakPolarHBondContact O-CB 3.44Å; F213-M243 VanDerWaalsContact O-CG 3.28Å; F213-M243 WeakPolarHBondContact O-CG 3.34Å; F213-L253 HydrophobicContact CE1-CD1 4.25Å
214D96.9Very high96.7Very high66 Ų6645.9 Ų45.935%0.35324%0.242SC..Hα-helixtrans-65.2-43.1176.3-74.1-36.4000111.3K210 E211 M216 K217K210-D214 PolarHBondContact O-N 3.13Å; E211-D214 PolarHBondContact O-N 3.41Å; D214-M216 VanDerWaalsContact C-N 3.27Å; D214-M216 PolarHBondContact O-N 3.26Å; D214-K217 VanDerWaalsContact O-CB 3.32Å; D214-K217 WeakPolarHBondContact O-CB 3.34Å; D214-K217 PolarHBondContact O-N 3.29Å; D214-K217 IonicContact OD1-NZ 2.8Å; D214-K217 PolarHBondContact OD1-NZ 3.39Å
215A96.8Very high96.9Very high14 Ų1445.2 Ų45.212%0.11624%0.239CC..Hα-helixtrans-64.2-33.617500000112.2L183 I186 L187 E211 V212 K217L183-A215 HydrophobicContact CD1-CB 4.22Å; I186-A215 HydrophobicContact CG2-CB 3.69Å; L187-A215 HydrophobicContact CD2-CB 3.5Å; L187-A215 VanDerWaalsContact CD2-CB 3.5Å; L187-A215 HydrophobicContact CG-CB 3.88Å; E211-A215 WeakPolarHBondContact O-CB 3.35Å; E211-A215 PolarHBondContact O-N 3.43Å; V212-A215 PolarHBondContact O-N 2.85Å; A215-K217 PolarHBondContact O-N 3.35Å
216M96.8Very high97Very high0 Ų042.5 Ų42.50%022%0.221CC..Hα-helixtrans-67.7-17.2177-76-70.8-61.900113.5I186 V212 F213 D214 E218 N219 V222 L225 M243 N247 L250I186-M216 HydrophobicContact CD1-SD 4.49Å; I186-M216 HydrophobicContact CG2-CG 3.97Å; I186-M216 HydrophobicContact CG2-SD 3.79Å; V212-M216 WeakPolarHBondContact O-CB 3.37Å; V212-M216 WeakPolarHBondContact O-CG 3.3Å; V212-M216 PolarHBondContact O-N 3.5Å; F213-M216 WeakPolarHBondContact O-CB 3.4Å; F213-M216 PolarHBondContact O-N 2.96Å; D214-M216 VanDerWaalsContact C-N 3.27Å; D214-M216 PolarHBondContact O-N 3.26Å; M216-E218 VanDerWaalsContact C-N 3.29Å; M216-E218 PolarHBondContact O-N 3.41Å; M216-N219 PolarHBondContact O-N 3.31Å; M216-N219 HydrophobicContact SD-CB 4.04Å; M216-V222 HydrophobicContact CE-CB 3.71Å; M216-V222 HydrophobicContact CE-CG1 3.63Å; M216-V222 HydrophobicContact SD-CB 3.78Å; M216-V222 HydrophobicContact SD-CG1 3.91Å; M216-V222 HydrophobicContact SD-CG2 4Å; M216-L225 HydrophobicContact CE-CD2 4.42Å; M216-L225 HydrophobicContact CG-CD2 4.37Å; M216-M243 HydrophobicContact CB-CG 3.63Å; M216-M243 HydrophobicContact CB-SD 4.28Å; M216-N247 PolarHBondContact O-ND2 2.86Å; M216-L250 HydrophobicContact CE-CD1 3.83Å
217K96.1Very high97.1Very high37 Ų3740.4 Ų40.416%0.16121%0.21CC..THydrogen-bonded Turntrans-55.5-44.1176.5-74.5167.3174.5164.30112.3F213 D214 A215 E242 M243 E246F213-K217 PolarHBondContact O-N 3.16Å; D214-K217 VanDerWaalsContact O-CB 3.32Å; D214-K217 WeakPolarHBondContact O-CB 3.34Å; D214-K217 PolarHBondContact O-N 3.29Å; D214-K217 IonicContact OD1-NZ 2.8Å; D214-K217 PolarHBondContact OD1-NZ 3.39Å; A215-K217 PolarHBondContact O-N 3.35Å; K217-E242 IonicContact NZ-OE2 2.95Å; K217-E242 PolarHBondContact NZ-OE2 2.94Å; K217-M243 HydrophobicContact CG-CB 4.19Å; K217-M243 HydrophobicContact CG-CG 4.46Å; K217-E246 HydrophobicContact CB-CB 4.39Å; K217-E246 HydrophobicContact CG-CB 4.46Å
218E94.5Very high97.1Very high173 Ų17337.1 Ų37.181%0.80819%0.19SC*.THydrogen-bonded Turntrans-98.2-5.9-178-60.7-173.1174.500113.6M216 S220M216-E218 VanDerWaalsContact C-N 3.29Å; M216-E218 PolarHBondContact O-N 3.41Å; E218-S220 PolarHBondContact O-N 3.45Å
219N96.9Very high97Very high4 Ų437.7 Ų37.72%0.02120%0.197CC..  trans-71.8130-177.1-170.5-75.6000111.8I186 N189 M216 H221 V222 N247I186-N219 HydrophobicContact CG2-CB 4.33Å; I186-N219 PolarHBondContact O-ND2 3.41Å; N189-N219 PolarHBondContact OD1-ND2 3.14Å; M216-N219 PolarHBondContact O-N 3.31Å; M216-N219 HydrophobicContact SD-CB 4.04Å; N219-H221 PolarHBondContact OD1-N 2.95Å; N219-V222 WeakPolarHBondContact OD1-CG2 3.23Å; N219-V222 PolarHBondContact OD1-N 3.29Å; N219-N247 PolarHBondContact O-ND2 3.37Å
220S96.5Very high97Very high56 Ų5637.7 Ų37.739%0.39220%0.197SC..SBendtrans-105.8-3.8-175.6610000114.9N189 E218 S249N189-S220 PolarHBondContact ND2-OG 2.94Å; N189-S220 PolarHBondContact OD1-N 3Å; N189-S220 PolarHBondContact OD1-OG 3.02Å; E218-S220 PolarHBondContact O-N 3.45Å; S220-S249 WeakPolarHBondContact CA-OG 3.47Å; S220-S249 WeakPolarHBondContact O-CB 3.26Å; S220-S249 PolarHBondContact O-OG 3.25Å
221H97.3Very high96.8Very high64 Ų6440.6 Ų40.630%0.29621%0.206SC..SBendtrans-117.5-29.6-167.3-65.8-59.8000114.7N189 L193 N219 E223N189-H221 PolarHBondContact O-CD2 3.37Å; N189-H221 VanDerWaalsContact O-CD2 3.27Å; N189-H221 PolarHBondContact OD1-CD2 3.02Å; N189-H221 VanDerWaalsContact OD1-CD2 3.24Å; L193-H221 CarbonylContact O-C 3.58Å; N219-H221 PolarHBondContact OD1-N 2.95Å; H221-E223 PolarHBondContact O-N 3.43Å
222V98.1Very high96.8Very high0 Ų035.8 Ų35.80%018%0.183CC..  trans-73.3117.61791770000109.4I186 L193 V196 M216 N219 L250I186-V222 HydrophobicContact CG1-CG2 4.48Å; L193-V222 HydrophobicContact CD2-CG2 4.18Å; L193-V222 HydrophobicContact CG-CG2 4.12Å; L193-V222 WeakPolarHBondContact O-CG2 3.35Å; V196-V222 HydrophobicContact CB-CG1 4.35Å; V196-V222 HydrophobicContact CG2-CG1 3.83Å; V196-V222 HydrophobicContact CG2-CG2 3.96Å; M216-V222 HydrophobicContact CE-CB 3.71Å; M216-V222 HydrophobicContact CE-CG1 3.63Å; M216-V222 HydrophobicContact SD-CB 3.78Å; M216-V222 HydrophobicContact SD-CG1 3.91Å; M216-V222 HydrophobicContact SD-CG2 4Å; N219-V222 WeakPolarHBondContact OD1-CG2 3.23Å; N219-V222 PolarHBondContact OD1-N 3.29Å; V222-L250 HydrophobicContact CG1-CD1 4.27Å
223E98.1Very high96.7Very high86 Ų8638.1 Ų38.140%0.40220%0.196SC..  trans-100-28.1-179.9-61.5-175162.600111.8T194 H221 Q251 S252T194-E223 PolarHBondContact O-N 3.4Å; H221-E223 PolarHBondContact O-N 3.43Å; E223-Q251 HydrophobicContact CB-CG 4.39Å; E223-Q251 WeakPolarHBondContact O-CA 3.17Å; E223-Q251 PolarHBondContact O-N 3.02Å; E223-Q251 PolarHBondContact OE1-NE2 3.36Å; E223-S252 PolarHBondContact O-N 3Å
224V98.5Very high96.7Very high46 Ų4639.4 Ų39.428%0.27920%0.203SC..EExtended strand (participates in β ladder)trans-127.4122-176.4-177.80000109.9T194 E195 V196 S252T194-V224 PolarHBondContact O-N 3.48Å; T194-V224 VanDerWaalsContact O-N 3.14Å; E195-V224 WeakPolarHBondContact CA-O 3.36Å; E195-V224 HydrophobicContact CB-CB 4.31Å; E195-V224 HydrophobicContact CG-CB 4.04Å; E195-V224 HydrophobicContact CG-CG1 4.09Å; V196-V224 PolarHBondContact N-O 3.49Å; V224-S252 WeakPolarHBondContact CA-O 3.42Å
225L98.2Very high96.8Very high1 Ų138.9 Ų38.91%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-126.6124.6175.8176.161.1000110V196 V212 F213 M216 I227 L250 S252 L253 N254V196-L225 HydrophobicContact CB-CD1 3.76Å; V196-L225 HydrophobicContact CG1-CD1 3.49Å; V196-L225 VanDerWaalsContact CG1-CD1 3.49Å; V196-L225 WeakPolarHBondContact O-CA 3.3Å; V212-L225 HydrophobicContact CG1-CD1 4.42Å; F213-L225 HydrophobicContact CD1-CD2 4.19Å; F213-L225 HydrophobicContact CE1-CD2 3.65Å; F213-L225 HydrophobicContact CZ-CD2 4.16Å; M216-L225 HydrophobicContact CE-CD2 4.42Å; M216-L225 HydrophobicContact CG-CD2 4.37Å; L225-I227 HydrophobicContact CD1-CG2 4.32Å; L225-L250 HydrophobicContact CB-CD1 3.67Å; L225-L250 HydrophobicContact CB-CD2 4.39Å; L225-S252 PolarHBondContact N-O 3.32Å; L225-L253 HydrophobicContact CB-CD1 4.26Å; L225-L253 HydrophobicContact CD2-CD1 4.13Å; L225-L253 HydrophobicContact CG-CD1 4.15Å; L225-L253 WeakPolarHBondContact O-CA 3.35Å; L225-N254 PolarHBondContact O-N 3.35Å
226S98.2Very high96.8Very high11 Ų1138.3 Ų38.38%0.07720%0.198CC..EExtended strand (participates in β ladder)trans-132.7121.5-179.2-166.40000110.8V196 L198 N199 N254V196-S226 PolarHBondContact O-N 3.09Å; L198-S226 PolarHBondContact N-O 2.95Å; N199-S226 PolarHBondContact ND2-OG 2.84Å; N199-S226 VanDerWaalsContact OD1-C 3.27Å; N199-S226 VanDerWaalsContact OD1-CB 3.3Å; N199-S226 WeakPolarHBondContact OD1-CB 3.45Å; N199-S226 PolarHBondContact OD1-O 3.25Å; N199-S226 PolarHBondContact OD1-OG 3.01Å; S226-N254 WeakPolarHBondContact OG-CB 3.42Å
227I97.1Very high96.8Very high1 Ų138.3 Ų38.31%0.00520%0.198CC..  trans-126.737178.556.4151.1000110.9L198 L209 F213 L225 T230 S232 V236 N254 I255 N258L198-I227 HydrophobicContact CB-CG2 4.12Å; L198-I227 HydrophobicContact CD1-CG2 4.04Å; L198-I227 HydrophobicContact CG-CG2 4.45Å; L209-I227 HydrophobicContact CD2-CG2 4.21Å; F213-I227 HydrophobicContact CE2-CD1 3.67Å; F213-I227 HydrophobicContact CZ-CD1 3.65Å; F213-I227 HydrophobicContact CZ-CG1 4.26Å; L225-I227 HydrophobicContact CD1-CG2 4.32Å; I227-T230 HydrophobicContact CB-CG2 4.2Å; I227-T230 WeakPolarHBondContact O-CG2 3.35Å; I227-T230 PolarHBondContact O-OG1 3.03Å; I227-S232 WeakPolarHBondContact CD1-OG 3.35Å; I227-V236 HydrophobicContact CD1-CG1 4.19Å; I227-N254 PolarHBondContact N-O 3.1Å; I227-I255 HydrophobicContact CD1-CB 4.44Å; I227-I255 HydrophobicContact CD1-CG2 3.79Å; I227-I255 HydrophobicContact CG1-CB 4.36Å; I227-I255 HydrophobicContact CG1-CG2 3.7Å; I227-N258 PolarHBondContact O-ND2 2.96Å
228A96.7Very high96.9Very high11 Ų1141.5 Ų41.59%0.09121%0.21CC..THydrogen-bonded Turntrans-67.5139.1-176.900000111.4N199 N200 T230 E256N199-A228 VanDerWaalsContact CA-O 3.32Å; N199-A228 WeakPolarHBondContact CA-O 3.38Å; N199-A228 HydrophobicContact CB-CB 4.45Å; N199-A228 WeakPolarHBondContact OD1-CB 3.43Å; N199-A228 PolarHBondContact OD1-N 3.27Å; N200-A228 PolarHBondContact N-O 2.97Å; A228-T230 VanDerWaalsContact C-N 3.31Å; A228-T230 PolarHBondContact O-N 3.27Å; A228-E256 VanDerWaalsContact CA-O 3.27Å; A228-E256 WeakPolarHBondContact CA-O 3.43Å; A228-E256 HydrophobicContact CB-CB 4.41Å
229A95.4Very high97.1Very high34 Ų3433.4 Ų33.428%0.28117%0.173SC..THydrogen-bonded Turntrans56.438.3178.900000114.9E256 S257A229-E256 PolarHBondContact N-O 3.46Å; A229-E256 VanDerWaalsContact N-O 3.12Å; A229-S257 WeakPolarHBondContact CA-O 3.21Å
230T95.6Very high97.2Very high2 Ų233.3 Ų33.31%0.01217%0.172CC..SBendtrans-101.66179.555.10000113.7L198 I204 I227 A228 S232 N258L198-T230 WeakPolarHBondContact O-CG2 3.16Å; I204-T230 HydrophobicContact CD1-CG2 4.21Å; I227-T230 HydrophobicContact CB-CG2 4.2Å; I227-T230 WeakPolarHBondContact O-CG2 3.35Å; I227-T230 PolarHBondContact O-OG1 3.03Å; A228-T230 VanDerWaalsContact C-N 3.31Å; A228-T230 PolarHBondContact O-N 3.27Å; T230-S232 VanDerWaalsContact C-N 3.25Å; T230-S232 PolarHBondContact O-N 3.33Å; T230-S232 PolarHBondContact OG1-OG 3.07Å; T230-N258 PolarHBondContact N-OD1 2.68Å; T230-N258 VanDerWaalsContact N-OD1 3.11Å; T230-N258 PolarHBondContact OG1-OD1 3.23Å
231R94.6Very high97.2Very high143 Ų14330.9 Ų30.954%0.5416%0.156SC..  trans62.128.4-172.6-56.7177.6170.5161.9-1.4113.8D203 N258 F259D203-R231 IonicContact OD1-NH1 3.25Å; D203-R231 PolarHBondContact OD1-NH1 2.8Å; R231-N258 PolarHBondContact N-OD1 3.47Å; R231-N258 VanDerWaalsContact N-OD1 3.16Å; R231-F259 HydrophobicContact CB-CD2 4.24Å; R231-F259 HydrophobicContact CB-CE2 4.16Å; R231-F259 HydrophobicContact CG-CE2 3.94Å
232S96Very high97.2Very high0 Ų032.5 Ų32.50%016%0.163CC..  trans-61.9144.3175.3-67.30000111.9L209 I227 T230 N258 F259L209-S232 WeakPolarHBondContact CD1-OG 3.3Å; I227-S232 WeakPolarHBondContact CD1-OG 3.35Å; T230-S232 VanDerWaalsContact C-N 3.25Å; T230-S232 PolarHBondContact O-N 3.33Å; T230-S232 PolarHBondContact OG1-OG 3.07Å; S232-N258 PolarHBondContact N-OD1 2.89Å; S232-F259 CarbonylContact O-C 3.4Å; S232-F259 VanDerWaalsContact O-CA 3.32Å; S232-F259 WeakPolarHBondContact O-CA 3.36Å; S232-F259 WeakPolarHBondContact O-CB 3.47Å; S232-F259 PolarHBondContact O-N 3.44Å
233N95.8Very high97.2Very high52 Ų5232.5 Ų32.528%0.27816%0.163SC..  trans-130.1-175.1-176.560.910.3000111.6P235 V236 A237N233-P235 VanDerWaalsContact OD1-CD 3.25Å; N233-P235 WeakPolarHBondContact OD1-CD 3.41Å; N233-V236 WeakPolarHBondContact O-CA 3.42Å; N233-V236 WeakPolarHBondContact O-CB 3.46Å; N233-V236 PolarHBondContact O-N 2.87Å; N233-A237 PolarHBondContact O-N 2.91Å
234D97.3Very high97.1Very high27 Ų2728.4 Ų28.414%0.14414%0.144CC..Hα-helixtrans-55.2-40.3-175.3-63.5-19.2000115.2V236 A237 Y238 T261D234-V236 PolarHBondContact O-N 3.04Å; D234-A237 CarbonylContact O-C 3.54Å; D234-A237 WeakPolarHBondContact O-CA 3.4Å; D234-A237 WeakPolarHBondContact O-CB 3.48Å; D234-A237 PolarHBondContact O-N 3.03Å; D234-Y238 HydrophobicContact CB-CE2 4.02Å; D234-Y238 WeakPolarHBondContact O-CD2 3.31Å; D234-Y238 PolarHBondContact O-N 3.29Å; D234-T261 PolarHBondContact OD1-N 3.32Å; D234-T261 PolarHBondContact OD1-OG1 3.31Å; D234-T261 VanDerWaalsContact OD1-OG1 3.1Å; D234-T261 WeakPolarHBondContact OD2-CB 3.37Å; D234-T261 VanDerWaalsContact OD2-CG2 3.26Å; D234-T261 WeakPolarHBondContact OD2-CG2 3.41Å; D234-T261 PolarHBondContact OD2-OG1 3.31Å
235P97.6Very high97Very high54 Ų5432.3 Ų32.335%0.35116%0.159SC..Hα-helixtrans-51.9-39.4170.2-30.832.7000114.9I206 K210 N233 A239I206-P235 HydrophobicContact CG2-CB 4.28Å; K210-P235 HydrophobicContact CD-CB 4.25Å; N233-P235 VanDerWaalsContact OD1-CD 3.25Å; N233-P235 WeakPolarHBondContact OD1-CD 3.41Å; P235-A239 PolarHBondContact O-N 3.09Å
236V97.6Very high96.9Very high2 Ų237.7 Ų37.71%0.01219%0.185CC..Hα-helixtrans-71.6-39.4175.1-177.70000110.1I206 L209 K210 F213 I227 N233 D234 Y238 A239 C240I206-V236 HydrophobicContact CD1-CG2 4.01Å; I206-V236 HydrophobicContact CG2-CG2 3.87Å; L209-V236 HydrophobicContact CB-CG1 4.2Å; L209-V236 HydrophobicContact CB-CG2 4.01Å; L209-V236 HydrophobicContact CD1-CG2 4.41Å; K210-V236 HydrophobicContact CG-CG2 4.47Å; F213-V236 HydrophobicContact CD2-CG1 3.73Å; F213-V236 HydrophobicContact CE2-CG1 3.37Å; F213-V236 HydrophobicContact CZ-CG1 4.45Å; I227-V236 HydrophobicContact CD1-CG1 4.19Å; N233-V236 WeakPolarHBondContact O-CA 3.42Å; N233-V236 WeakPolarHBondContact O-CB 3.46Å; N233-V236 PolarHBondContact O-N 2.87Å; D234-V236 PolarHBondContact O-N 3.04Å; V236-Y238 VanDerWaalsContact C-N 3.34Å; V236-Y238 PolarHBondContact O-N 3.02Å; V236-A239 PolarHBondContact O-N 3.2Å; V236-C240 WeakPolarHBondContact O-CB 2.77Å; V236-C240 PolarHBondContact O-N 3.43Å
237A97.8Very high96.8Very high1 Ų137.3 Ų37.31%0.00818%0.182CC..Hα-helixtrans-62.5-37.9176.400000112.8N233 D234 C240 A241 I260 I268N233-A237 PolarHBondContact O-N 2.91Å; D234-A237 CarbonylContact O-C 3.54Å; D234-A237 WeakPolarHBondContact O-CA 3.4Å; D234-A237 WeakPolarHBondContact O-CB 3.48Å; D234-A237 PolarHBondContact O-N 3.03Å; A237-C240 WeakPolarHBondContact O-CB 3.49Å; A237-C240 PolarHBondContact O-N 3.36Å; A237-A241 WeakPolarHBondContact O-CB 3.17Å; A237-A241 PolarHBondContact O-N 2.89Å; A237-I260 HydrophobicContact CB-CD1 4.19Å; A237-I260 HydrophobicContact CB-CG1 4.24Å; A237-I260 HydrophobicContact CB-CG2 3.67Å; A237-I268 HydrophobicContact CB-CD1 3.82Å; A237-I268 HydrophobicContact CB-CG1 4.31Å; A237-I268 WeakPolarHBondContact O-CG1 3.33Å
238Y98.3Very high96.7Very high103 Ų10342.3 Ų42.340%0.40421%0.213SC..Hα-helixtrans-66.9-44.3174.9-61.1-41.7000112.1D234 V236 C240 A241 E242 A267D234-Y238 HydrophobicContact CB-CE2 4.02Å; D234-Y238 WeakPolarHBondContact O-CD2 3.31Å; D234-Y238 PolarHBondContact O-N 3.29Å; V236-Y238 VanDerWaalsContact C-N 3.34Å; V236-Y238 PolarHBondContact O-N 3.02Å; Y238-C240 VanDerWaalsContact C-N 3.29Å; Y238-C240 PolarHBondContact O-N 3.12Å; Y238-A241 WeakPolarHBondContact O-CB 3.44Å; Y238-A241 PolarHBondContact O-N 3.2Å; Y238-A241 VanDerWaalsContact O-N 3.15Å; Y238-E242 PolarHBondContact O-N 3.25Å; Y238-A267 HydrophobicContact CD1-CB 3.69Å; Y238-A267 HydrophobicContact CE1-CB 3.9Å
239A98.1Very high96.7Very high3 Ų343 Ų433%0.02522%0.217CC..Hα-helixtrans-61-40.7174.400000111.5K210 F213 P235 V236 E242 M243K210-A239 HydrophobicContact CB-CB 4.35Å; K210-A239 HydrophobicContact CG-CB 4.22Å; F213-A239 HydrophobicContact CB-CB 3.88Å; P235-A239 PolarHBondContact O-N 3.09Å; V236-A239 PolarHBondContact O-N 3.2Å; A239-E242 PolarHBondContact O-N 3.11Å; A239-M243 WeakPolarHBondContact O-CB 3.26Å; A239-M243 PolarHBondContact O-N 3.49Å
240C97.9Very high96.8Very high2 Ų241.5 Ų41.51%0.01420%0.204CC..Hα-helixtrans-60.9-43.8172.8178.20000112.3F213 V236 A237 Y238 E242 M243 L244 L253 I268F213-C240 HydrophobicContact CD1-CB 3.73Å; F213-C240 HydrophobicContact CD2-CB 4.37Å; F213-C240 HydrophobicContact CE1-CB 3.61Å; F213-C240 HydrophobicContact CE2-CB 4.29Å; F213-C240 HydrophobicContact CG-CB 4.12Å; F213-C240 HydrophobicContact CZ-CB 3.92Å; V236-C240 WeakPolarHBondContact O-CB 2.77Å; V236-C240 PolarHBondContact O-N 3.43Å; A237-C240 WeakPolarHBondContact O-CB 3.49Å; A237-C240 PolarHBondContact O-N 3.36Å; Y238-C240 VanDerWaalsContact C-N 3.29Å; Y238-C240 PolarHBondContact O-N 3.12Å; C240-E242 PolarHBondContact O-N 3.2Å; C240-M243 PolarHBondContact O-N 2.95Å; C240-L244 VanDerWaalsContact O-CG 3.27Å; C240-L244 WeakPolarHBondContact O-CG 3.42Å; C240-L244 PolarHBondContact O-N 2.94Å; C240-L253 VanDerWaalsContact SG-CD2 3.54Å; C240-I268 HydrophobicContact CB-CD1 4.45Å
241A97.6Very high96.9Very high6 Ų645.4 Ų45.45%0.0522%0.222CC..Hα-helixtrans-63.2-39.9177.500000112.4A237 Y238 Q245 A267 I268 A271A237-A241 WeakPolarHBondContact O-CB 3.17Å; A237-A241 PolarHBondContact O-N 2.89Å; Y238-A241 WeakPolarHBondContact O-CB 3.44Å; Y238-A241 PolarHBondContact O-N 3.2Å; Y238-A241 VanDerWaalsContact O-N 3.15Å; A241-Q245 WeakPolarHBondContact O-CG 3.35Å; A241-Q245 PolarHBondContact O-N 3.44Å; A241-A267 HydrophobicContact CB-CB 3.99Å; A241-I268 HydrophobicContact CB-CG1 4.27Å; A241-A271 HydrophobicContact CB-CB 4.05Å; A241-A271 WeakPolarHBondContact O-CB 3.44Å
242E97.3Very high97.1Very high97 Ų9739.5 Ų39.545%0.45320%0.203SC..Hα-helixtrans-65.4-45.6173.4-68.6178.3-17300111.3K217 Y238 A239 C240 L244 Q245K217-E242 IonicContact NZ-OE2 2.95Å; K217-E242 PolarHBondContact NZ-OE2 2.94Å; Y238-E242 PolarHBondContact O-N 3.25Å; A239-E242 PolarHBondContact O-N 3.11Å; C240-E242 PolarHBondContact O-N 3.2Å; E242-L244 VanDerWaalsContact C-N 3.31Å; E242-L244 PolarHBondContact O-N 2.88Å; E242-Q245 WeakPolarHBondContact O-CB 3.3Å; E242-Q245 PolarHBondContact O-N 3.36Å; E242-Q245 VanDerWaalsContact O-N 3.08Å
243M97.3Very high97.2Very high0 Ų039.5 Ų39.50%020%0.203CC..Hα-helixtrans-56.2-44.6176.4-179.6-79.6-68.500112.1F213 M216 K217 A239 C240 Q245 E246 N247 L250F213-M243 HydrophobicContact CB-CB 4.38Å; F213-M243 HydrophobicContact CD1-CB 4.36Å; F213-M243 HydrophobicContact CD1-CE 3.65Å; F213-M243 HydrophobicContact CD1-CG 4.44Å; F213-M243 HydrophobicContact CE1-CE 3.86Å; F213-M243 WeakPolarHBondContact O-CB 3.44Å; F213-M243 VanDerWaalsContact O-CG 3.28Å; F213-M243 WeakPolarHBondContact O-CG 3.34Å; M216-M243 HydrophobicContact CB-CG 3.63Å; M216-M243 HydrophobicContact CB-SD 4.28Å; K217-M243 HydrophobicContact CG-CB 4.19Å; K217-M243 HydrophobicContact CG-CG 4.46Å; A239-M243 WeakPolarHBondContact O-CB 3.26Å; A239-M243 PolarHBondContact O-N 3.49Å; C240-M243 PolarHBondContact O-N 2.95Å; M243-Q245 PolarHBondContact O-N 3.44Å; M243-E246 PolarHBondContact O-N 2.97Å; M243-E246 VanDerWaalsContact O-N 3.14Å; M243-N247 HydrophobicContact CG-CB 4.22Å; M243-N247 VanDerWaalsContact O-CB 3.25Å; M243-N247 WeakPolarHBondContact O-CB 3.32Å; M243-N247 PolarHBondContact O-N 2.94Å; M243-N247 HydrophobicContact SD-CB 3.55Å; M243-N247 VanDerWaalsContact SD-CB 3.55Å; M243-L250 HydrophobicContact CE-CD2 3.7Å; M243-L250 HydrophobicContact SD-CD2 4.25Å
244L96.8Very high97.3Very high1 Ų137.9 Ų37.91%0.00519%0.194CC..Hα-helixtrans-65.1-19.5179.6-72.1167.7000113.8C240 E242 L253 I268 A271 M272 N275 L278C240-L244 VanDerWaalsContact O-CG 3.27Å; C240-L244 WeakPolarHBondContact O-CG 3.42Å; C240-L244 PolarHBondContact O-N 2.94Å; E242-L244 VanDerWaalsContact C-N 3.31Å; E242-L244 PolarHBondContact O-N 2.88Å; L244-L253 HydrophobicContact CD1-CD2 4.15Å; L244-L253 HydrophobicContact CD2-CD2 4.21Å; L244-I268 HydrophobicContact CD1-CG2 3.89Å; L244-A271 HydrophobicContact CB-CB 4.16Å; L244-M272 HydrophobicContact CD1-CG 4.05Å; L244-M272 HydrophobicContact CD1-SD 3.73Å; L244-M272 HydrophobicContact CD2-SD 3.87Å; L244-M272 HydrophobicContact CG-SD 4.26Å; L244-N275 WeakPolarHBondContact O-CB 3.45Å; L244-N275 PolarHBondContact O-ND2 3Å; L244-L278 HydrophobicContact CD2-CD2 4.11Å
245Q95.5Very high97.3Very high127 Ų12736.7 Ų36.759%0.59319%0.187SC*.Hα-helixtrans-80-27.6175.9-68174.623.500112.6A241 E242 M243 A271A241-Q245 WeakPolarHBondContact O-CG 3.35Å; A241-Q245 PolarHBondContact O-N 3.44Å; E242-Q245 WeakPolarHBondContact O-CB 3.3Å; E242-Q245 PolarHBondContact O-N 3.36Å; E242-Q245 VanDerWaalsContact O-N 3.08Å; M243-Q245 PolarHBondContact O-N 3.44Å; Q245-A271 HydrophobicContact CG-CB 3.82Å
246E95.8Very high97.3Very high115 Ų11536.5 Ų36.554%0.53718%0.182SC..Hα-helixtrans-106.2-38.3-172.9-65.1179.9-155.200112.5K217 M243 T248K217-E246 HydrophobicContact CB-CB 4.39Å; K217-E246 HydrophobicContact CG-CB 4.46Å; M243-E246 PolarHBondContact O-N 2.97Å; M243-E246 VanDerWaalsContact O-N 3.14Å; E246-T248 PolarHBondContact O-N 3.31Å
247N96.6Very high97.2Very high3 Ų338.5 Ų38.52%0.01620%0.196CC..  trans-71.2132.4-175.9-175.3-85.4000111.6M216 N219 M243 S249 L250 N275M216-N247 PolarHBondContact O-ND2 2.86Å; N219-N247 PolarHBondContact O-ND2 3.37Å; M243-N247 HydrophobicContact CG-CB 4.22Å; M243-N247 VanDerWaalsContact O-CB 3.25Å; M243-N247 WeakPolarHBondContact O-CB 3.32Å; M243-N247 PolarHBondContact O-N 2.94Å; M243-N247 HydrophobicContact SD-CB 3.55Å; M243-N247 VanDerWaalsContact SD-CB 3.55Å; N247-S249 PolarHBondContact OD1-N 3.19Å; N247-L250 VanDerWaalsContact OD1-CB 3.25Å; N247-L250 WeakPolarHBondContact OD1-CB 3.3Å; N247-L250 PolarHBondContact OD1-N 3.23Å; N247-N275 PolarHBondContact O-ND2 3.01Å
248T95.1Very high97.2Very high106 Ų10638.5 Ų38.565%0.6520%0.196SC*.SBendtrans-118.611.9-179.860.90000114.2E246 T277E246-T248 PolarHBondContact O-N 3.31Å; T248-T277 WeakPolarHBondContact O-CG2 3.48Å
249S96.2Very high97.1Very high26 Ų2637.8 Ų37.818%0.18220%0.195CC..SBendtrans-115.4-28.8-176-71.20000113.6S220 N247 Q251S220-S249 WeakPolarHBondContact CA-OG 3.47Å; S220-S249 WeakPolarHBondContact O-CB 3.26Å; S220-S249 PolarHBondContact O-OG 3.25Å; N247-S249 PolarHBondContact OD1-N 3.19Å; S249-Q251 PolarHBondContact O-N 3.3Å
250L97.8Very high97Very high1 Ų137.8 Ų37.81%0.00520%0.195CC..  trans-68.1129.2-178-168.373000110.7M216 V222 L225 M243 N247 L253 T277 L278M216-L250 HydrophobicContact CE-CD1 3.83Å; V222-L250 HydrophobicContact CG1-CD1 4.27Å; L225-L250 HydrophobicContact CB-CD1 3.67Å; L225-L250 HydrophobicContact CB-CD2 4.39Å; M243-L250 HydrophobicContact CE-CD2 3.7Å; M243-L250 HydrophobicContact SD-CD2 4.25Å; N247-L250 VanDerWaalsContact OD1-CB 3.25Å; N247-L250 WeakPolarHBondContact OD1-CB 3.3Å; N247-L250 PolarHBondContact OD1-N 3.23Å; L250-L253 HydrophobicContact CD2-CB 4.09Å; L250-L253 HydrophobicContact CD2-CD1 4.36Å; L250-T277 CarbonylContact O-C 3.59Å; L250-T277 PolarHBondContact O-OG1 3.03Å; L250-L278 HydrophobicContact CB-CD1 4.37Å; L250-L278 HydrophobicContact CD2-CD1 3.96Å; L250-L278 HydrophobicContact CG-CD1 3.87Å; L250-L278 PolarHBondContact O-N 3.25Å
251Q97.9Very high97Very high85 Ų8539.5 Ų39.540%0.39721%0.205SC..  trans-111.6-32.9-178.3-61.4-178.927.200112.4E223 S249 V279 E280E223-Q251 HydrophobicContact CB-CG 4.39Å; E223-Q251 WeakPolarHBondContact O-CA 3.17Å; E223-Q251 PolarHBondContact O-N 3.02Å; E223-Q251 PolarHBondContact OE1-NE2 3.36Å; S249-Q251 PolarHBondContact O-N 3.3Å; Q251-V279 WeakPolarHBondContact O-CA 3.47Å; Q251-V279 PolarHBondContact O-N 3.31Å; Q251-E280 PolarHBondContact O-N 3.35Å
252S98.3Very high96.9Very high19 Ų1941.2 Ų41.213%0.13322%0.217CC..EExtended strand (participates in β ladder)trans-131.7125.1-179.4-167.70000111.3E223 V224 L225 E280E223-S252 PolarHBondContact O-N 3Å; V224-S252 WeakPolarHBondContact CA-O 3.42Å; L225-S252 PolarHBondContact N-O 3.32Å; S252-E280 WeakPolarHBondContact CA-O 3.3Å
253L98.4Very high96.9Very high0 Ų041.7 Ų41.70%022%0.222CC..EExtended strand (participates in β ladder)trans-124.9125.5178177.561.5000110.3F213 L225 C240 L244 L250 I255 L278 E280 L281 K282F213-L253 HydrophobicContact CE1-CD1 4.25Å; L225-L253 HydrophobicContact CB-CD1 4.26Å; L225-L253 HydrophobicContact CD2-CD1 4.13Å; L225-L253 HydrophobicContact CG-CD1 4.15Å; L225-L253 WeakPolarHBondContact O-CA 3.35Å; C240-L253 VanDerWaalsContact SG-CD2 3.54Å; L244-L253 HydrophobicContact CD1-CD2 4.15Å; L244-L253 HydrophobicContact CD2-CD2 4.21Å; L250-L253 HydrophobicContact CD2-CB 4.09Å; L250-L253 HydrophobicContact CD2-CD1 4.36Å; L253-I255 HydrophobicContact CD1-CG2 3.89Å; L253-I255 HydrophobicContact CD2-CG2 4.45Å; L253-I255 HydrophobicContact CG-CG2 4.08Å; L253-L278 HydrophobicContact CB-CD1 3.92Å; L253-L278 HydrophobicContact CB-CD2 4.11Å; L253-E280 PolarHBondContact N-O 2.86Å; L253-L281 HydrophobicContact CB-CD1 4.1Å; L253-L281 HydrophobicContact CD2-CD1 3.89Å; L253-L281 HydrophobicContact CG-CD1 4.03Å; L253-L281 WeakPolarHBondContact O-CA 3.24Å; L253-K282 PolarHBondContact O-N 2.94Å
254N98.4Very high96.9Very high17 Ų1741.7 Ų41.79%0.09122%0.222CC..EExtended strand (participates in β ladder)trans-121.2117.6173.5-173.40.1000111.9L225 S226 I227 E256 K282L225-N254 PolarHBondContact O-N 3.35Å; S226-N254 WeakPolarHBondContact OG-CB 3.42Å; I227-N254 PolarHBondContact N-O 3.1Å; N254-E256 PolarHBondContact ND2-OE2 3.22Å; N254-E256 VanDerWaalsContact OD1-CB 3.23Å; N254-E256 WeakPolarHBondContact OD1-CB 3.36Å; N254-E256 WeakPolarHBondContact OD1-CG 3.49Å; N254-E256 PolarHBondContact OD1-N 3.41Å; N254-E256 PolarHBondContact OD1-OE2 3.3Å; N254-K282 HydrophobicContact CB-CB 4.19Å; N254-K282 HydrophobicContact CB-CD 4.37Å
255I97.3Very high96.9Very high2 Ų241.6 Ų41.61%0.0122%0.222CC..  trans-12523.9176.863.7178.4000111.9I227 L253 N258 I260 M265 I268 K282 I283 Q286I227-I255 HydrophobicContact CD1-CB 4.44Å; I227-I255 HydrophobicContact CD1-CG2 3.79Å; I227-I255 HydrophobicContact CG1-CB 4.36Å; I227-I255 HydrophobicContact CG1-CG2 3.7Å; L253-I255 HydrophobicContact CD1-CG2 3.89Å; L253-I255 HydrophobicContact CD2-CG2 4.45Å; L253-I255 HydrophobicContact CG-CG2 4.08Å; I255-N258 PolarHBondContact O-ND2 2.77Å; I255-I260 HydrophobicContact CB-CD1 4.3Å; I255-I260 HydrophobicContact CD1-CD1 3.87Å; I255-I260 HydrophobicContact CG1-CD1 4.36Å; I255-M265 HydrophobicContact CD1-CE 4.26Å; I255-I268 HydrophobicContact CD1-CD1 3.43Å; I255-I268 VanDerWaalsContact CD1-CD1 3.43Å; I255-K282 WeakPolarHBondContact CG1-O 3.34Å; I255-K282 PolarHBondContact N-O 3.17Å; I255-I283 HydrophobicContact CD1-CG2 3.8Å; I255-I283 HydrophobicContact CG1-CB 4.36Å; I255-I283 HydrophobicContact CG1-CG2 3.74Å; I255-Q286 PolarHBondContact O-NE2 2.99Å
256E96.8Very high97Very high51 Ų5137.4 Ų37.424%0.23820%0.203CC..  trans-59.2158.2178.5-74.4171.4159.700113.5A228 A229 N254 N258 K282 D284A228-E256 VanDerWaalsContact CA-O 3.27Å; A228-E256 WeakPolarHBondContact CA-O 3.43Å; A228-E256 HydrophobicContact CB-CB 4.41Å; A229-E256 PolarHBondContact N-O 3.46Å; A229-E256 VanDerWaalsContact N-O 3.12Å; N254-E256 PolarHBondContact ND2-OE2 3.22Å; N254-E256 VanDerWaalsContact OD1-CB 3.23Å; N254-E256 WeakPolarHBondContact OD1-CB 3.36Å; N254-E256 WeakPolarHBondContact OD1-CG 3.49Å; N254-E256 PolarHBondContact OD1-N 3.41Å; N254-E256 PolarHBondContact OD1-OE2 3.3Å; E256-N258 VanDerWaalsContact C-N 3.3Å; E256-N258 PolarHBondContact O-N 3.41Å; E256-N258 PolarHBondContact O-ND2 2.77Å; E256-N258 VanDerWaalsContact O-ND2 3.13Å; E256-K282 HydrophobicContact CG-CB 3.78Å; E256-K282 WeakPolarHBondContact OE1-CB 3.31Å; E256-D284 VanDerWaalsContact CA-O 3.26Å; E256-D284 WeakPolarHBondContact CA-O 2.91Å; E256-D284 HydrophobicContact CG-CB 4.32Å
257S96.4Very high97Very high43 Ų4333.1 Ų33.130%0.30119%0.187SC..SBendtrans59.537.8170.1-52.90000114A229 D284 N285A229-S257 WeakPolarHBondContact CA-O 3.21Å; S257-D284 PolarHBondContact N-O 3.24Å; S257-N285 VanDerWaalsContact CA-O 3.26Å; S257-N285 WeakPolarHBondContact CA-O 3.2Å; S257-N285 PolarHBondContact OG-ND2 3.49Å
258N97Very high97.1Very high1 Ų133 Ų331%0.00519%0.186CC..SBendtrans-116.2-170.2-179.2-78.9-55.7000111.9I227 T230 R231 S232 I255 E256 I260 Q286 R287I227-N258 PolarHBondContact O-ND2 2.96Å; T230-N258 PolarHBondContact N-OD1 2.68Å; T230-N258 VanDerWaalsContact N-OD1 3.11Å; T230-N258 PolarHBondContact OG1-OD1 3.23Å; R231-N258 PolarHBondContact N-OD1 3.47Å; R231-N258 VanDerWaalsContact N-OD1 3.16Å; S232-N258 PolarHBondContact N-OD1 2.89Å; I255-N258 PolarHBondContact O-ND2 2.77Å; E256-N258 VanDerWaalsContact C-N 3.3Å; E256-N258 PolarHBondContact O-N 3.41Å; E256-N258 PolarHBondContact O-ND2 2.77Å; E256-N258 VanDerWaalsContact O-ND2 3.13Å; N258-I260 HydrophobicContact CB-CD1 4.43Å; N258-I260 HydrophobicContact CB-CG1 4.3Å; N258-Q286 WeakPolarHBondContact O-CA 3.5Å; N258-Q286 PolarHBondContact O-OE1 2.74Å; N258-R287 PolarHBondContact O-N 2.92Å
259F96.8Very high97.1Very high89 Ų8928 Ų2839%0.3916%0.155SC..  trans-112.630.6-175.4-65.5-116.8000110.8R231 S232 R287R231-F259 HydrophobicContact CB-CD2 4.24Å; R231-F259 HydrophobicContact CB-CE2 4.16Å; R231-F259 HydrophobicContact CG-CE2 3.94Å; S232-F259 CarbonylContact O-C 3.4Å; S232-F259 VanDerWaalsContact O-CA 3.32Å; S232-F259 WeakPolarHBondContact O-CA 3.36Å; S232-F259 WeakPolarHBondContact O-CB 3.47Å; S232-F259 PolarHBondContact O-N 3.44Å; F259-R287 HydrophobicContact CD1-CB 4.19Å; F259-R287 HydrophobicContact CD1-CG 4.31Å; F259-R287 HydrophobicContact CE1-CG 4.44Å; F259-R287 HydrophobicContact CG-CB 4.37Å
260I96.9Very high97.1Very high3 Ų332.6 Ų32.62%0.01517%0.172CC..  trans-78.2129178.7-57.7171.2000108.3A237 I255 N258 M265A237-I260 HydrophobicContact CB-CD1 4.19Å; A237-I260 HydrophobicContact CB-CG1 4.24Å; A237-I260 HydrophobicContact CB-CG2 3.67Å; I255-I260 HydrophobicContact CB-CD1 4.3Å; I255-I260 HydrophobicContact CD1-CD1 3.87Å; I255-I260 HydrophobicContact CG1-CD1 4.36Å; N258-I260 HydrophobicContact CB-CD1 4.43Å; N258-I260 HydrophobicContact CB-CG1 4.3Å; I260-M265 HydrophobicContact CG2-CB 4.39Å; I260-M265 HydrophobicContact CG2-CE 4.14Å
261T96.7Very high96.9Very high38 Ų3832.6 Ų32.623%0.23317%0.172CC..  trans-87.1178.8179.778.10000111.4D234 D263 G264 M265D234-T261 PolarHBondContact OD1-N 3.32Å; D234-T261 PolarHBondContact OD1-OG1 3.31Å; D234-T261 VanDerWaalsContact OD1-OG1 3.1Å; D234-T261 WeakPolarHBondContact OD2-CB 3.37Å; D234-T261 VanDerWaalsContact OD2-CG2 3.26Å; D234-T261 WeakPolarHBondContact OD2-CG2 3.41Å; D234-T261 PolarHBondContact OD2-OG1 3.31Å; T261-D263 PolarHBondContact O-N 3.38Å; T261-D263 PolarHBondContact OG1-N 3.39Å; T261-G264 PolarHBondContact O-N 2.88Å; T261-M265 WeakPolarHBondContact O-CB 3.46Å; T261-M265 PolarHBondContact O-N 2.69Å
262S96.3Very high96.7Very high42 Ų4228.5 Ų28.529%0.29415%0.153SC..Hα-helixtrans-55.5-34.9173.255.30000113M266 L290S262-M266 WeakPolarHBondContact O-CB 3.32Å; S262-M266 PolarHBondContact O-N 2.77Å; S262-L290 WeakPolarHBondContact CB-O 3.48Å
263D96.6Very high96.2Very high106 Ų10629.6 Ų29.657%0.56716%0.164SC*.Hα-helixtrans-75.5-44.7-174.8-66.6-15.7000111.4T261 M265 M266 A267T261-D263 PolarHBondContact O-N 3.38Å; T261-D263 PolarHBondContact OG1-N 3.39Å; D263-M265 VanDerWaalsContact C-N 3.34Å; D263-M266 PolarHBondContact O-N 3.41Å; D263-A267 PolarHBondContact O-N 3.35Å
264G96.8Very high95.7Very high0 Ų036.3 Ų36.30%020%0.2CC..Hα-helixtrans-61.7-43172.200000111.6T261 A267 I268T261-G264 PolarHBondContact O-N 2.88Å; G264-A267 WeakPolarHBondContact O-CB 3.3Å; G264-A267 PolarHBondContact O-N 2.73Å; G264-I268 PolarHBondContact O-N 3.04Å
265M97.1Very high95.5Very high0 Ų036 Ų360%020%0.198CC..Hα-helixtrans-65.7-42178.4-168.7566300112.4I255 I260 T261 D263 A267 I268 I269 I283 L290 V294I255-M265 HydrophobicContact CD1-CE 4.26Å; I260-M265 HydrophobicContact CG2-CB 4.39Å; I260-M265 HydrophobicContact CG2-CE 4.14Å; T261-M265 WeakPolarHBondContact O-CB 3.46Å; T261-M265 PolarHBondContact O-N 2.69Å; D263-M265 VanDerWaalsContact C-N 3.34Å; M265-A267 PolarHBondContact O-N 3.43Å; M265-I268 PolarHBondContact O-N 3.38Å; M265-I268 VanDerWaalsContact O-N 3.1Å; M265-I268 HydrophobicContact SD-CB 4.42Å; M265-I268 HydrophobicContact SD-CD1 4.44Å; M265-I269 HydrophobicContact CG-CG1 4.29Å; M265-I269 WeakPolarHBondContact O-CG1 3.31Å; M265-I269 PolarHBondContact O-N 2.84Å; M265-I269 HydrophobicContact SD-CD1 4.48Å; M265-I269 HydrophobicContact SD-CG1 4.45Å; M265-I283 HydrophobicContact CE-CB 3.64Å; M265-I283 HydrophobicContact CE-CD1 4.07Å; M265-I283 HydrophobicContact CE-CG1 4.4Å; M265-I283 HydrophobicContact CE-CG2 3.91Å; M265-I283 HydrophobicContact CG-CD1 4.23Å; M265-I283 HydrophobicContact SD-CB 4.03Å; M265-I283 HydrophobicContact SD-CD1 3.54Å; M265-I283 VanDerWaalsContact SD-CD1 3.54Å; M265-I283 HydrophobicContact SD-CG1 4.39Å; M265-I283 HydrophobicContact SD-CG2 3.9Å; M265-L290 HydrophobicContact CB-CD2 3.84Å; M265-L290 HydrophobicContact CE-CD2 4.47Å; M265-L290 HydrophobicContact CG-CD1 3.79Å; M265-L290 HydrophobicContact CG-CD2 3.99Å; M265-V294 HydrophobicContact CB-CG1 4.34Å; M265-V294 HydrophobicContact CG-CG1 3.97Å
266M97.3Very high95.2Very high38 Ų3839.7 Ų39.719%0.18723%0.229CC..Hα-helixtrans-56.8-37.2175.7-179.362.86400111.9S262 D263 K270 V294 E297S262-M266 WeakPolarHBondContact O-CB 3.32Å; S262-M266 PolarHBondContact O-N 2.77Å; D263-M266 PolarHBondContact O-N 3.41Å; M266-K270 HydrophobicContact CG-CD 4.37Å; M266-K270 WeakPolarHBondContact O-CG 3.39Å; M266-K270 PolarHBondContact O-N 3.1Å; M266-K270 VanDerWaalsContact O-N 3.07Å; M266-K270 HydrophobicContact SD-CD 4.46Å; M266-K270 HydrophobicContact SD-CG 4.49Å; M266-V294 HydrophobicContact CE-CB 4.4Å; M266-V294 HydrophobicContact CE-CG2 3.96Å; M266-E297 HydrophobicContact CE-CB 3.95Å; M266-E297 HydrophobicContact CE-CG 4.27Å; M266-E297 HydrophobicContact SD-CB 4.11Å; M266-E297 HydrophobicContact SD-CG 3.75Å
267A97.6Very high95.1Very high26 Ų2639.2 Ų39.222%0.21523%0.229CC..Hα-helixtrans-64.4-45.917500000112.1Y238 A241 D263 G264 M265 I269 K270 A271Y238-A267 HydrophobicContact CD1-CB 3.69Å; Y238-A267 HydrophobicContact CE1-CB 3.9Å; A241-A267 HydrophobicContact CB-CB 3.99Å; D263-A267 PolarHBondContact O-N 3.35Å; G264-A267 WeakPolarHBondContact O-CB 3.3Å; G264-A267 PolarHBondContact O-N 2.73Å; M265-A267 PolarHBondContact O-N 3.43Å; A267-I269 PolarHBondContact O-N 3.11Å; A267-K270 PolarHBondContact O-N 2.91Å; A267-A271 PolarHBondContact O-N 3.21Å
268I97.1Very high95.1Very high0 Ų037.2 Ų37.20%022%0.215CC..Hα-helixtrans-59.8-48176.8-65.1175000110.5A237 C240 A241 L244 I255 G264 M265 K270 A271 M272 L281A237-I268 HydrophobicContact CB-CD1 3.82Å; A237-I268 HydrophobicContact CB-CG1 4.31Å; A237-I268 WeakPolarHBondContact O-CG1 3.33Å; C240-I268 HydrophobicContact CB-CD1 4.45Å; A241-I268 HydrophobicContact CB-CG1 4.27Å; L244-I268 HydrophobicContact CD1-CG2 3.89Å; I255-I268 HydrophobicContact CD1-CD1 3.43Å; I255-I268 VanDerWaalsContact CD1-CD1 3.43Å; G264-I268 PolarHBondContact O-N 3.04Å; M265-I268 PolarHBondContact O-N 3.38Å; M265-I268 VanDerWaalsContact O-N 3.1Å; M265-I268 HydrophobicContact SD-CB 4.42Å; M265-I268 HydrophobicContact SD-CD1 4.44Å; I268-K270 VanDerWaalsContact C-N 3.33Å; I268-K270 PolarHBondContact O-N 3.44Å; I268-A271 WeakPolarHBondContact O-CB 3.31Å; I268-A271 PolarHBondContact O-N 3.21Å; I268-M272 HydrophobicContact CG2-CG 4.28Å; I268-M272 WeakPolarHBondContact O-CB 3.45Å; I268-M272 VanDerWaalsContact O-CG 3.25Å; I268-M272 WeakPolarHBondContact O-CG 3.41Å; I268-M272 PolarHBondContact O-N 3.24Å; I268-L281 HydrophobicContact CG2-CD2 4.39Å
269I96.1Very high95.1Very high0 Ų039.4 Ų39.40%023%0.228CC..Hα-helixtrans-63.1-38.7-178.7-61.7-54.9000111.9M265 A267 M272 A273 E297 I298 M301 F311M265-I269 HydrophobicContact CG-CG1 4.29Å; M265-I269 WeakPolarHBondContact O-CG1 3.31Å; M265-I269 PolarHBondContact O-N 2.84Å; M265-I269 HydrophobicContact SD-CD1 4.48Å; M265-I269 HydrophobicContact SD-CG1 4.45Å; A267-I269 PolarHBondContact O-N 3.11Å; I269-M272 PolarHBondContact O-N 3.04Å; I269-A273 PolarHBondContact O-N 3.3Å; I269-E297 HydrophobicContact CG2-CB 4.48Å; I269-E297 HydrophobicContact CG2-CG 3.94Å; I269-I298 HydrophobicContact CD1-CD1 4.47Å; I269-I298 HydrophobicContact CD1-CG1 3.69Å; I269-I298 HydrophobicContact CG1-CG1 3.7Å; I269-I298 HydrophobicContact CG2-CG1 4.33Å; I269-M301 HydrophobicContact CD1-CE 3.98Å; I269-M301 HydrophobicContact CG2-CB 3.66Å; I269-M301 HydrophobicContact CG2-CE 4.32Å; I269-M301 HydrophobicContact CG2-CG 4.02Å; I269-M301 WeakPolarHBondContact O-CG 2.88Å; I269-F311 HydrophobicContact CD1-CE2 4.33Å; I269-F311 HydrophobicContact CD1-CZ 4.13Å
270K95.3Very high95.2Very high123 Ų12337 Ų3754%0.53522%0.218SC..Hα-helixtrans-65.8-40.2175-75.4176.3178.6176.60112.7M266 A267 I268 M272 A273M266-K270 HydrophobicContact CG-CD 4.37Å; M266-K270 WeakPolarHBondContact O-CG 3.39Å; M266-K270 PolarHBondContact O-N 3.1Å; M266-K270 VanDerWaalsContact O-N 3.07Å; M266-K270 HydrophobicContact SD-CD 4.46Å; M266-K270 HydrophobicContact SD-CG 4.49Å; A267-K270 PolarHBondContact O-N 2.91Å; I268-K270 VanDerWaalsContact C-N 3.33Å; I268-K270 PolarHBondContact O-N 3.44Å; K270-M272 VanDerWaalsContact C-N 3.33Å; K270-A273 WeakPolarHBondContact O-CB 3.46Å; K270-A273 PolarHBondContact O-N 2.63Å
271A95.1Very high95.2Very high1 Ų136.9 Ų36.91%0.00822%0.218CC..Hα-helixtrans-62.7-42.5174.800000111.7A241 L244 Q245 A267 I268 A273 N274A241-A271 HydrophobicContact CB-CB 4.05Å; A241-A271 WeakPolarHBondContact O-CB 3.44Å; L244-A271 HydrophobicContact CB-CB 4.16Å; Q245-A271 HydrophobicContact CG-CB 3.82Å; A267-A271 PolarHBondContact O-N 3.21Å; I268-A271 WeakPolarHBondContact O-CB 3.31Å; I268-A271 PolarHBondContact O-N 3.21Å; A271-A273 PolarHBondContact O-N 3.27Å; A271-N274 PolarHBondContact O-N 3.19Å
272M92.8Very high95.3Very high0 Ų038 Ų380%022%0.22CC..Hα-helixtrans-61.4-23.3179.4-77.1-59.9-53.700114.5L244 I268 I269 K270 N274 N275 L278 L281 M301 N305 I308L244-M272 HydrophobicContact CD1-CG 4.05Å; L244-M272 HydrophobicContact CD1-SD 3.73Å; L244-M272 HydrophobicContact CD2-SD 3.87Å; L244-M272 HydrophobicContact CG-SD 4.26Å; I268-M272 HydrophobicContact CG2-CG 4.28Å; I268-M272 WeakPolarHBondContact O-CB 3.45Å; I268-M272 VanDerWaalsContact O-CG 3.25Å; I268-M272 WeakPolarHBondContact O-CG 3.41Å; I268-M272 PolarHBondContact O-N 3.24Å; I269-M272 PolarHBondContact O-N 3.04Å; K270-M272 VanDerWaalsContact C-N 3.33Å; M272-N274 PolarHBondContact O-N 3.5Å; M272-N275 PolarHBondContact O-N 3.2Å; M272-N275 HydrophobicContact SD-CB 4.38Å; M272-L278 HydrophobicContact CE-CB 3.98Å; M272-L278 HydrophobicContact CE-CD2 3.54Å; M272-L278 HydrophobicContact CE-CG 4.31Å; M272-L278 HydrophobicContact SD-CB 4.41Å; M272-L278 HydrophobicContact SD-CD2 3.5Å; M272-L278 VanDerWaalsContact SD-CD2 3.5Å; M272-L281 HydrophobicContact CE-CD2 4.32Å; M272-L281 HydrophobicContact CG-CD2 3.87Å; M272-L281 HydrophobicContact SD-CD2 4.19Å; M272-M301 HydrophobicContact CB-CE 4.03Å; M272-M301 HydrophobicContact CB-CG 4.16Å; M272-M301 HydrophobicContact CB-SD 3.94Å; M272-N305 PolarHBondContact O-ND2 3.19Å; M272-I308 HydrophobicContact CE-CD1 3.43Å; M272-I308 VanDerWaalsContact CE-CD1 3.43Å; M272-I308 HydrophobicContact CE-CG1 3.84Å
273A88.5Confident95.3Very high42 Ų4236 Ų3635%0.34721%0.206SC..THydrogen-bonded Turntrans-60.6-28.1177.900000113.1I269 K270 A271 M301I269-A273 PolarHBondContact O-N 3.3Å; K270-A273 WeakPolarHBondContact O-CB 3.46Å; K270-A273 PolarHBondContact O-N 2.63Å; A271-A273 PolarHBondContact O-N 3.27Å; A273-M301 HydrophobicContact CB-CG 4.21Å
274N87.6Confident95.3Very high141 Ų14133.5 Ų33.575%0.75419%0.192SC*.THydrogen-bonded Turntrans-106.3-11.1-178.5-61.4-41.7000113.6A271 M272 A276A271-N274 PolarHBondContact O-N 3.19Å; M272-N274 PolarHBondContact O-N 3.5Å; N274-A276 PolarHBondContact O-N 2.98Å
275N93.1Very high95.2Very high10 Ų1038.7 Ų38.75%0.05322%0.22CC..  trans-78123.2178.4-173.3-74.3000110.3L244 N247 M272 T277 L278 N305 S307L244-N275 WeakPolarHBondContact O-CB 3.45Å; L244-N275 PolarHBondContact O-ND2 3Å; N247-N275 PolarHBondContact O-ND2 3.01Å; M272-N275 PolarHBondContact O-N 3.2Å; M272-N275 HydrophobicContact SD-CB 4.38Å; N275-T277 PolarHBondContact ND2-OG1 3.34Å; N275-T277 PolarHBondContact OD1-N 3.42Å; N275-T277 PolarHBondContact OD1-OG1 3.01Å; N275-T277 VanDerWaalsContact OD1-OG1 3.12Å; N275-L278 WeakPolarHBondContact OD1-CB 3.38Å; N275-L278 PolarHBondContact OD1-N 3.12Å; N275-N305 PolarHBondContact O-ND2 2.95Å; N275-S307 PolarHBondContact O-OG 2.96Å
276A91.3Very high95.2Very high80 Ų8039.7 Ų39.766%0.66123%0.225SC*.  trans-104.61.6-178.400000113.8N274 S307N274-A276 PolarHBondContact O-N 2.98Å; A276-S307 WeakPolarHBondContact O-CB 3.36Å
277T95.1Very high95Very high40 Ų4046.5 Ų46.525%0.24525%0.248CC..SBendtrans-106.1-33.9-169.862.60000112.2T248 L250 N275 V279T248-T277 WeakPolarHBondContact O-CG2 3.48Å; L250-T277 CarbonylContact O-C 3.59Å; L250-T277 PolarHBondContact O-OG1 3.03Å; N275-T277 PolarHBondContact ND2-OG1 3.34Å; N275-T277 PolarHBondContact OD1-N 3.42Å; N275-T277 PolarHBondContact OD1-OG1 3.01Å; N275-T277 VanDerWaalsContact OD1-OG1 3.12Å; T277-V279 PolarHBondContact O-N 2.87Å
278L96.6Very high94.7Very high1 Ų150.9 Ų50.91%0.00526%0.264CS..  trans-71.6130.4179.2-161.279.7000110.6L244 L250 L253 M272 N275 L281 S307L244-L278 HydrophobicContact CD2-CD2 4.11Å; L250-L278 HydrophobicContact CB-CD1 4.37Å; L250-L278 HydrophobicContact CD2-CD1 3.96Å; L250-L278 HydrophobicContact CG-CD1 3.87Å; L250-L278 PolarHBondContact O-N 3.25Å; L253-L278 HydrophobicContact CB-CD1 3.92Å; L253-L278 HydrophobicContact CB-CD2 4.11Å; M272-L278 HydrophobicContact CE-CB 3.98Å; M272-L278 HydrophobicContact CE-CD2 3.54Å; M272-L278 HydrophobicContact CE-CG 4.31Å; M272-L278 HydrophobicContact SD-CB 4.41Å; M272-L278 HydrophobicContact SD-CD2 3.5Å; M272-L278 VanDerWaalsContact SD-CD2 3.5Å; N275-L278 WeakPolarHBondContact OD1-CB 3.38Å; N275-L278 PolarHBondContact OD1-N 3.12Å; L278-L281 HydrophobicContact CD2-CB 3.92Å; L278-L281 HydrophobicContact CD2-CD1 4.35Å; L278-L281 HydrophobicContact CD2-CG 4.49Å; L278-S307 CarbonylContact O-C 3.57Å; L278-S307 PolarHBondContact O-OG 3.22Å
279V97.3Very high94.4Very high47 Ų4759 Ų5929%0.28530%0.299SS..  trans-108.9-35-175.51770000111.2Q251 T277 L309 K310Q251-V279 WeakPolarHBondContact O-CA 3.47Å; Q251-V279 PolarHBondContact O-N 3.31Å; T277-V279 PolarHBondContact O-N 2.87Å; V279-L309 HydrophobicContact CG1-CB 3.85Å; V279-L309 HydrophobicContact CG1-CD1 3.5Å; V279-L309 VanDerWaalsContact CG1-CD1 3.5Å; V279-L309 HydrophobicContact CG1-CG 3.71Å; V279-L309 PolarHBondContact O-N 3.02Å; V279-K310 PolarHBondContact O-N 3.25Å; V279-K310 VanDerWaalsContact O-N 3.13Å
280E97.8Very high94.2Very high39 Ų3959.2 Ų59.218%0.18230%0.301CS..EExtended strand (participates in β ladder)trans-129125.4-177.9-179.9165.1-161.800110.7Q251 S252 L253 K282 K310Q251-E280 PolarHBondContact O-N 3.35Å; S252-E280 WeakPolarHBondContact CA-O 3.3Å; L253-E280 PolarHBondContact N-O 2.86Å; E280-K282 HydrophobicContact CG-CG 4.37Å; E280-K282 WeakPolarHBondContact OE1-CE 3.02Å; E280-K282 IonicContact OE1-NZ 3.23Å; E280-K282 PolarHBondContact OE1-NZ 3.47Å; E280-K310 WeakPolarHBondContact CA-O 3.23Å; E280-K310 HydrophobicContact CB-CB 4.11Å; E280-K310 HydrophobicContact CG-CB 3.86Å; E280-K310 HydrophobicContact CG-CD 4.25Å; E280-K310 IonicContact OE2-NZ 3.2Å
281L97.7Very high94.1Very high0 Ų054.7 Ų54.70%029%0.289CS..EExtended strand (participates in β ladder)trans-129.8122.1175177.354.6000109.5L253 I268 M272 L278 I283 K310 F311 G312L253-L281 HydrophobicContact CB-CD1 4.1Å; L253-L281 HydrophobicContact CD2-CD1 3.89Å; L253-L281 HydrophobicContact CG-CD1 4.03Å; L253-L281 WeakPolarHBondContact O-CA 3.24Å; I268-L281 HydrophobicContact CG2-CD2 4.39Å; M272-L281 HydrophobicContact CE-CD2 4.32Å; M272-L281 HydrophobicContact CG-CD2 3.87Å; M272-L281 HydrophobicContact SD-CD2 4.19Å; L278-L281 HydrophobicContact CD2-CB 3.92Å; L278-L281 HydrophobicContact CD2-CD1 4.35Å; L278-L281 HydrophobicContact CD2-CG 4.49Å; L281-I283 HydrophobicContact CD1-CG2 3.72Å; L281-I283 HydrophobicContact CD2-CG2 4.31Å; L281-I283 HydrophobicContact CG-CG2 3.81Å; L281-K310 PolarHBondContact N-O 2.89Å; L281-K310 VanDerWaalsContact N-O 3.1Å; L281-F311 HydrophobicContact CB-CD2 4.28Å; L281-F311 HydrophobicContact CB-CE2 4.42Å; L281-F311 HydrophobicContact CD2-CE2 3.91Å; L281-F311 HydrophobicContact CG-CE2 4.22Å; L281-F311 CarbonylContact O-C 3.47Å; L281-F311 WeakPolarHBondContact O-CA 3.43Å; L281-G312 PolarHBondContact O-N 3.34Å
282K98.1Very high94.1Very high63 Ų6359 Ų5927%0.27431%0.312SS..EExtended strand (participates in β ladder)trans-117.2120.3177.6-61.5-176.3-172.8169.80110.9L253 N254 I255 E256 E280L253-K282 PolarHBondContact O-N 2.94Å; N254-K282 HydrophobicContact CB-CB 4.19Å; N254-K282 HydrophobicContact CB-CD 4.37Å; I255-K282 WeakPolarHBondContact CG1-O 3.34Å; I255-K282 PolarHBondContact N-O 3.17Å; E256-K282 HydrophobicContact CG-CB 3.78Å; E256-K282 WeakPolarHBondContact OE1-CB 3.31Å; E280-K282 HydrophobicContact CG-CG 4.37Å; E280-K282 WeakPolarHBondContact OE1-CE 3.02Å; E280-K282 IonicContact OE1-NZ 3.23Å; E280-K282 PolarHBondContact OE1-NZ 3.47Å
283I96.9Very high94.2Very high0 Ų064.1 Ų64.10%034%0.344CS..  trans-132.15.4-173.163.7167.5000113.1I255 M265 L281 Q286 L290 I298 F311 G312 Y313I255-I283 HydrophobicContact CD1-CG2 3.8Å; I255-I283 HydrophobicContact CG1-CB 4.36Å; I255-I283 HydrophobicContact CG1-CG2 3.74Å; M265-I283 HydrophobicContact CE-CB 3.64Å; M265-I283 HydrophobicContact CE-CD1 4.07Å; M265-I283 HydrophobicContact CE-CG1 4.4Å; M265-I283 HydrophobicContact CE-CG2 3.91Å; M265-I283 HydrophobicContact CG-CD1 4.23Å; M265-I283 HydrophobicContact SD-CB 4.03Å; M265-I283 HydrophobicContact SD-CD1 3.54Å; M265-I283 VanDerWaalsContact SD-CD1 3.54Å; M265-I283 HydrophobicContact SD-CG1 4.39Å; M265-I283 HydrophobicContact SD-CG2 3.9Å; L281-I283 HydrophobicContact CD1-CG2 3.72Å; L281-I283 HydrophobicContact CD2-CG2 4.31Å; L281-I283 HydrophobicContact CG-CG2 3.81Å; I283-Q286 WeakPolarHBondContact O-CG 3.49Å; I283-Q286 PolarHBondContact O-NE2 2.89Å; I283-L290 HydrophobicContact CD1-CD1 4.24Å; I283-I298 HydrophobicContact CD1-CD1 4.01Å; I283-F311 HydrophobicContact CD1-CE1 3.97Å; I283-F311 HydrophobicContact CD1-CZ 3.58Å; I283-F311 HydrophobicContact CG1-CE1 4.31Å; I283-F311 HydrophobicContact CG1-CZ 4.16Å; I283-G312 PolarHBondContact N-O 3.24Å; I283-Y313 HydrophobicContact CD1-CD2 4.2Å; I283-Y313 HydrophobicContact CD1-CG 4.26Å; I283-Y313 HydrophobicContact CG1-CD2 4.05Å; I283-Y313 HydrophobicContact CG1-CG 4.21Å
284D95.9Very high94.6Very high53 Ų5362.2 Ų62.228%0.28333%0.328SS..  trans-68.4170-173.2-148.3-5.6000113.8E256 S257 Q286 G312 H314E256-D284 VanDerWaalsContact CA-O 3.26Å; E256-D284 WeakPolarHBondContact CA-O 2.91Å; E256-D284 HydrophobicContact CG-CB 4.32Å; S257-D284 PolarHBondContact N-O 3.24Å; D284-Q286 VanDerWaalsContact C-N 3.28Å; D284-Q286 PolarHBondContact O-N 3.47Å; D284-G312 PolarHBondContact N-O 3.46Å; D284-H314 PolarHBondContact OD1-N 3.43Å; D284-H314 WeakPolarHBondContact OD2-CB 3.42Å; D284-H314 PolarHBondContact OD2-N 3.01Å; D284-H314 VanDerWaalsContact OD2-N 3.11Å
285N96.1Very high95Very high109 Ų10955.5 Ų55.558%0.58329%0.292SS*.SBendtrans57.932.8174.9-165.539.8000114.6S257S257-N285 VanDerWaalsContact CA-O 3.26Å; S257-N285 WeakPolarHBondContact CA-O 3.2Å; S257-N285 PolarHBondContact OG-ND2 3.49Å
286Q96.2Very high95.2Very high21 Ų2159.4 Ų59.410%0.09831%0.311CS..  trans-64153.9170.2-57.3-55.2-41.800110.8I255 N258 I283 D284 Q288 L290I255-Q286 PolarHBondContact O-NE2 2.99Å; N258-Q286 WeakPolarHBondContact O-CA 3.5Å; N258-Q286 PolarHBondContact O-OE1 2.74Å; I283-Q286 WeakPolarHBondContact O-CG 3.49Å; I283-Q286 PolarHBondContact O-NE2 2.89Å; D284-Q286 VanDerWaalsContact C-N 3.28Å; D284-Q286 PolarHBondContact O-N 3.47Å; Q286-Q288 PolarHBondContact O-N 3.46Å; Q286-Q288 VanDerWaalsContact O-N 3.11Å; Q286-L290 HydrophobicContact CG-CD2 4.37Å
287R93.2Very high95.5Very high180 Ų18059 Ų5968%0.67930%0.295SS*.SBendtrans-54.3-33.5179.5179170.1-177.8-135.16.8113.6N258 F259N258-R287 PolarHBondContact O-N 2.92Å; F259-R287 HydrophobicContact CD1-CB 4.19Å; F259-R287 HydrophobicContact CD1-CG 4.31Å; F259-R287 HydrophobicContact CE1-CG 4.44Å; F259-R287 HydrophobicContact CG-CB 4.37Å
288Q91.3Very high95.5Very high118 Ų11857 Ų5755%0.55128%0.283SS*.SBendtrans-120.9152.4179.3-63.9-176.10.400110.3Q286Q286-Q288 PolarHBondContact O-N 3.46Å; Q286-Q288 VanDerWaalsContact O-N 3.11Å
289K91.6Very high95.5Very high170 Ų17057 Ų5774%0.73928%0.283SS*.  trans-65.7135.5170.5-64.5-175.5177.7-171.80109.1G291K289-G291 VanDerWaalsContact C-N 3.28Å; K289-G291 PolarHBondContact O-N 3.33Å
290L91.7Very high95.5Very high5 Ų556.6 Ų56.63%0.02628%0.282CS..  trans-69.2-26.2-177.9-60.6179.2000113.3S262 M265 I283 Q286 V294 I298 Y313S262-L290 WeakPolarHBondContact CB-O 3.48Å; M265-L290 HydrophobicContact CB-CD2 3.84Å; M265-L290 HydrophobicContact CE-CD2 4.47Å; M265-L290 HydrophobicContact CG-CD1 3.79Å; M265-L290 HydrophobicContact CG-CD2 3.99Å; I283-L290 HydrophobicContact CD1-CD1 4.24Å; Q286-L290 HydrophobicContact CG-CD2 4.37Å; L290-V294 HydrophobicContact CB-CB 4Å; L290-V294 HydrophobicContact CB-CG1 3.99Å; L290-V294 HydrophobicContact CB-CG2 4.39Å; L290-V294 HydrophobicContact CD1-CG1 4.17Å; L290-V294 WeakPolarHBondContact O-CG2 3.2Å; L290-I298 HydrophobicContact CD1-CD1 4.3Å; L290-Y313 HydrophobicContact CD1-CD2 4.05Å; L290-Y313 HydrophobicContact CD1-CE2 3.43Å; L290-Y313 VanDerWaalsContact CD1-CE2 3.43Å; L290-Y313 HydrophobicContact CG-CE2 4.1Å
291G93.1Very high95.4Very high29 Ų2954.9 Ų54.930%0.29927%0.274SS..  trans89.1160.1179.300000114.1K289 T293 V294 E295K289-G291 VanDerWaalsContact C-N 3.28Å; K289-G291 PolarHBondContact O-N 3.33Å; G291-T293 VanDerWaalsContact C-N 3.3Å; G291-T293 PolarHBondContact O-N 2.91Å; G291-V294 PolarHBondContact O-N 2.83Å; G291-E295 PolarHBondContact O-N 3.41Å; G291-E295 VanDerWaalsContact O-N 3.16Å
292D94.8Very high95.3Very high92 Ų9254.9 Ų54.949%0.49227%0.274SS..Hα-helixtrans-63.9-32.7-169.7-62-22.8000113.3E295 M296 Q317D292-E295 PolarHBondContact O-N 3.29Å; D292-M296 WeakPolarHBondContact O-CG 3.4Å; D292-M296 PolarHBondContact O-N 3.48Å; D292-Q317 VanDerWaalsContact OD1-CG 3.3Å; D292-Q317 WeakPolarHBondContact OD1-CG 3.3Å; D292-Q317 PolarHBondContact OD1-NE2 3.21Å
293T95.6Very high95.2Very high107 Ų10755.4 Ų55.466%0.65628%0.277SS*.Hα-helixtrans-64.4-43.1178.450.30000111.6G291 E297G291-T293 VanDerWaalsContact C-N 3.3Å; G291-T293 PolarHBondContact O-N 2.91Å; T293-E297 PolarHBondContact O-N 2.99Å; T293-E297 VanDerWaalsContact O-N 3.13Å
294V96.1Very high95.1Very high2 Ų261.4 Ų61.41%0.01231%0.31CS..Hα-helixtrans-67.6-43.2176.6-177.10000110.2M265 M266 L290 G291 M296 E297 I298M265-V294 HydrophobicContact CB-CG1 4.34Å; M265-V294 HydrophobicContact CG-CG1 3.97Å; M266-V294 HydrophobicContact CE-CB 4.4Å; M266-V294 HydrophobicContact CE-CG2 3.96Å; L290-V294 HydrophobicContact CB-CB 4Å; L290-V294 HydrophobicContact CB-CG1 3.99Å; L290-V294 HydrophobicContact CB-CG2 4.39Å; L290-V294 HydrophobicContact CD1-CG1 4.17Å; L290-V294 WeakPolarHBondContact O-CG2 3.2Å; G291-V294 PolarHBondContact O-N 2.83Å; V294-M296 VanDerWaalsContact C-N 3.32Å; V294-M296 PolarHBondContact O-N 3.02Å; V294-E297 PolarHBondContact O-N 3.45Å; V294-E297 VanDerWaalsContact O-N 3.15Å; V294-I298 HydrophobicContact CG1-CD1 3.98Å; V294-I298 HydrophobicContact CG1-CG1 4.3Å; V294-I298 VanDerWaalsContact O-CG1 3.28Å; V294-I298 WeakPolarHBondContact O-CG1 3.32Å; V294-I298 PolarHBondContact O-N 3.43Å
295E96.6Very high94.9Very high0 Ų059.2 Ų59.20%030%0.298CS..Hα-helixtrans-59.9-41.4177.9-67.3-162.7177.100112.6G291 D292 I298 A299 Y313 F315 N316 Q317 P320G291-E295 PolarHBondContact O-N 3.41Å; G291-E295 VanDerWaalsContact O-N 3.16Å; D292-E295 PolarHBondContact O-N 3.29Å; E295-I298 PolarHBondContact O-N 3.07Å; E295-A299 PolarHBondContact O-N 3.38Å; E295-A299 VanDerWaalsContact O-N 3.1Å; E295-Y313 HydrophobicContact CG-CE1 3.82Å; E295-Y313 PolarHBondContact OE1-OH 2.95Å; E295-F315 HydrophobicContact CB-CD1 4.13Å; E295-F315 HydrophobicContact CB-CE1 4.49Å; E295-F315 HydrophobicContact CG-CD1 4.23Å; E295-N316 PolarHBondContact OE1-N 3.35Å; E295-N316 PolarHBondContact OE1-ND2 3.09Å; E295-N316 PolarHBondContact OE2-N 3.35Å; E295-Q317 WeakPolarHBondContact OE2-CB 3.36Å; E295-Q317 PolarHBondContact OE2-N 3.35Å; E295-P320 HydrophobicContact CB-CB 4.06Å; E295-P320 HydrophobicContact CB-CG 4.04Å
296M96.5Very high94.7Very high91 Ų9157.5 Ų57.545%0.44829%0.294SS..Hα-helixtrans-63.7-40.8175.4-75.4-66.9-63.400112.2D292 V294 A299 S300 P320D292-M296 WeakPolarHBondContact O-CG 3.4Å; D292-M296 PolarHBondContact O-N 3.48Å; V294-M296 VanDerWaalsContact C-N 3.32Å; V294-M296 PolarHBondContact O-N 3.02Å; M296-A299 PolarHBondContact O-N 2.85Å; M296-S300 PolarHBondContact O-N 3.32Å; M296-P320 HydrophobicContact CG-CG 4.13Å; M296-P320 HydrophobicContact SD-CG 3.6Å
297E96.8Very high94.6Very high71 Ų7157.4 Ų57.433%0.33230%0.296SS..Hα-helixtrans-67-41.2176.9-166.965.2-15500111.6M266 I269 T293 V294 A299 S300 M301M266-E297 HydrophobicContact CE-CB 3.95Å; M266-E297 HydrophobicContact CE-CG 4.27Å; M266-E297 HydrophobicContact SD-CB 4.11Å; M266-E297 HydrophobicContact SD-CG 3.75Å; I269-E297 HydrophobicContact CG2-CB 4.48Å; I269-E297 HydrophobicContact CG2-CG 3.94Å; T293-E297 PolarHBondContact O-N 2.99Å; T293-E297 VanDerWaalsContact O-N 3.13Å; V294-E297 PolarHBondContact O-N 3.45Å; V294-E297 VanDerWaalsContact O-N 3.15Å; E297-A299 VanDerWaalsContact C-N 3.3Å; E297-A299 PolarHBondContact O-N 3.08Å; E297-S300 PolarHBondContact O-N 3.45Å; E297-S300 VanDerWaalsContact O-N 3.14Å; E297-M301 WeakPolarHBondContact O-CB 3.48Å; E297-M301 PolarHBondContact O-N 3.01Å
298I96.8Very high94.7Very high0 Ų048.8 Ų48.80%026%0.264CS..Hα-helixtrans-54.7-48.9174-70.9167.4000110.1I269 I283 L290 V294 E295 S300 M301 L302 F311 Y313 F315I269-I298 HydrophobicContact CD1-CD1 4.47Å; I269-I298 HydrophobicContact CD1-CG1 3.69Å; I269-I298 HydrophobicContact CG1-CG1 3.7Å; I269-I298 HydrophobicContact CG2-CG1 4.33Å; I283-I298 HydrophobicContact CD1-CD1 4.01Å; L290-I298 HydrophobicContact CD1-CD1 4.3Å; V294-I298 HydrophobicContact CG1-CD1 3.98Å; V294-I298 HydrophobicContact CG1-CG1 4.3Å; V294-I298 VanDerWaalsContact O-CG1 3.28Å; V294-I298 WeakPolarHBondContact O-CG1 3.32Å; V294-I298 PolarHBondContact O-N 3.43Å; E295-I298 PolarHBondContact O-N 3.07Å; I298-S300 VanDerWaalsContact C-N 3.34Å; I298-S300 PolarHBondContact O-N 3.3Å; I298-M301 PolarHBondContact O-N 3.13Å; I298-L302 HydrophobicContact CG2-CD1 3.96Å; I298-L302 HydrophobicContact CG2-CG 4.44Å; I298-L302 WeakPolarHBondContact O-CG 3.09Å; I298-L302 PolarHBondContact O-N 2.68Å; I298-F311 HydrophobicContact CB-CZ 4.46Å; I298-F311 HydrophobicContact CD1-CE1 4.41Å; I298-F311 HydrophobicContact CD1-CZ 4.28Å; I298-F311 HydrophobicContact CG1-CZ 4.23Å; I298-F311 HydrophobicContact CG2-CD1 4.23Å; I298-F311 HydrophobicContact CG2-CE1 3.39Å; I298-F311 HydrophobicContact CG2-CE2 4.22Å; I298-F311 HydrophobicContact CG2-CZ 3.39Å; I298-Y313 HydrophobicContact CD1-CD1 4.29Å; I298-Y313 HydrophobicContact CD1-CE1 4.38Å; I298-F315 HydrophobicContact CB-CE1 4.19Å; I298-F315 HydrophobicContact CB-CZ 4.44Å; I298-F315 HydrophobicContact CG2-CE1 3.78Å; I298-F315 HydrophobicContact CG2-CZ 3.54Å
299A96.6Very high95Very high0 Ų044.4 Ų44.40%024%0.244CC..Hα-helixtrans-61.6-41.8178.800000112.1E295 M296 E297 L302 E303 P320 R323E295-A299 PolarHBondContact O-N 3.38Å; E295-A299 VanDerWaalsContact O-N 3.1Å; M296-A299 PolarHBondContact O-N 2.85Å; E297-A299 VanDerWaalsContact C-N 3.3Å; E297-A299 PolarHBondContact O-N 3.08Å; A299-L302 PolarHBondContact O-N 3.41Å; A299-E303 WeakPolarHBondContact O-CG 3.23Å; A299-E303 PolarHBondContact O-N 2.76Å; A299-E303 VanDerWaalsContact O-N 3.09Å; A299-P320 HydrophobicContact CB-CB 4.12Å; A299-R323 HydrophobicContact CB-CB 3.96Å
300S96.3Very high95.2Very high38 Ų3842 Ų4227%0.26623%0.233SC..Hα-helixtrans-64.8-40.4176.7-169.20000112.6M296 E297 I298 E303 N304M296-S300 PolarHBondContact O-N 3.32Å; E297-S300 PolarHBondContact O-N 3.45Å; E297-S300 VanDerWaalsContact O-N 3.14Å; I298-S300 VanDerWaalsContact C-N 3.34Å; I298-S300 PolarHBondContact O-N 3.3Å; S300-E303 PolarHBondContact O-N 3Å; S300-N304 PolarHBondContact O-N 3.09Å; S300-N304 PolarHBondContact O-ND2 3.09Å
301M96.1Very high95.5Very high4 Ų443.2 Ų43.22%0.0224%0.239CC..Hα-helixtrans-63.2-48.2176.1178.5-79.4-71.100110.9I269 M272 A273 E297 I298 E303 N304 N305 I308 F311I269-M301 HydrophobicContact CD1-CE 3.98Å; I269-M301 HydrophobicContact CG2-CB 3.66Å; I269-M301 HydrophobicContact CG2-CE 4.32Å; I269-M301 HydrophobicContact CG2-CG 4.02Å; I269-M301 WeakPolarHBondContact O-CG 2.88Å; M272-M301 HydrophobicContact CB-CE 4.03Å; M272-M301 HydrophobicContact CB-CG 4.16Å; M272-M301 HydrophobicContact CB-SD 3.94Å; A273-M301 HydrophobicContact CB-CG 4.21Å; E297-M301 WeakPolarHBondContact O-CB 3.48Å; E297-M301 PolarHBondContact O-N 3.01Å; I298-M301 PolarHBondContact O-N 3.13Å; M301-E303 VanDerWaalsContact C-N 3.27Å; M301-E303 PolarHBondContact O-N 3.46Å; M301-N304 PolarHBondContact O-N 3.1Å; M301-N304 VanDerWaalsContact O-N 3.13Å; M301-N305 VanDerWaalsContact O-CB 3.3Å; M301-N305 WeakPolarHBondContact O-CB 3.37Å; M301-N305 PolarHBondContact O-N 3.4Å; M301-N305 HydrophobicContact SD-CB 4.03Å; M301-I308 HydrophobicContact CE-CD1 3.85Å; M301-I308 HydrophobicContact SD-CD1 3.58Å; M301-I308 VanDerWaalsContact SD-CD1 3.58Å; M301-F311 HydrophobicContact CE-CE2 3.98Å
302L96.2Very high95.6Very high0 Ų042.8 Ų42.80%023%0.234CC..Hα-helixtrans-62.3-33.4179.2-71.2174.8000112.6I298 A299 N304 I308 F311 A324 A327 I328I298-L302 HydrophobicContact CG2-CD1 3.96Å; I298-L302 HydrophobicContact CG2-CG 4.44Å; I298-L302 WeakPolarHBondContact O-CG 3.09Å; I298-L302 PolarHBondContact O-N 2.68Å; A299-L302 PolarHBondContact O-N 3.41Å; L302-N304 VanDerWaalsContact C-N 3.35Å; L302-I308 HydrophobicContact CD2-CB 4.17Å; L302-I308 HydrophobicContact CD2-CD1 3.78Å; L302-I308 HydrophobicContact CD2-CG2 3.88Å; L302-F311 HydrophobicContact CD1-CB 4.3Å; L302-F311 HydrophobicContact CD1-CD1 4.19Å; L302-F311 HydrophobicContact CD1-CD2 4.28Å; L302-F311 HydrophobicContact CD1-CG 4Å; L302-F311 HydrophobicContact CD2-CB 4.35Å; L302-F311 HydrophobicContact CD2-CD2 3.84Å; L302-F311 HydrophobicContact CD2-CE2 4.43Å; L302-F311 HydrophobicContact CD2-CG 4.2Å; L302-F311 HydrophobicContact CG-CD2 4.46Å; L302-A324 HydrophobicContact CD1-CB 3.56Å; L302-A327 HydrophobicContact CB-CB 4Å; L302-A327 WeakPolarHBondContact O-CB 3.28Å; L302-I328 HydrophobicContact CD2-CD1 4.01Å
303E95.3Very high95.7Very high73 Ų7339.7 Ų39.734%0.34122%0.216SC..Hα-helixtrans-66.4-37175.7-78.6176.7-176.900113A299 S300 M301 R323 A327 R330A299-E303 WeakPolarHBondContact O-CG 3.23Å; A299-E303 PolarHBondContact O-N 2.76Å; A299-E303 VanDerWaalsContact O-N 3.09Å; S300-E303 PolarHBondContact O-N 3Å; M301-E303 VanDerWaalsContact C-N 3.27Å; M301-E303 PolarHBondContact O-N 3.46Å; E303-R323 WeakPolarHBondContact OE1-CB 3.33Å; E303-R323 IonicContact OE1-CZ 2.81Å; E303-R323 IonicContact OE1-NE 2.67Å; E303-R323 PolarHBondContact OE1-NE 3.09Å; E303-R323 IonicContact OE1-NH2 2.82Å; E303-R323 PolarHBondContact OE1-NH2 3.46Å; E303-R323 IonicContact OE2-CZ 3.2Å; E303-R323 IonicContact OE2-NE 3.79Å; E303-R323 IonicContact OE2-NH2 3Å; E303-R323 PolarHBondContact OE2-NH2 3.3Å; E303-A327 HydrophobicContact CG-CB 4.23Å; E303-R330 PolarHBondContact O-NH2 2.91Å
304N93.8Very high95.7Very high126 Ų12640.2 Ų40.267%0.67421%0.21SC*.Hα-helixtrans-89.1-19.7-178.2-66.1-46.2000113.2S300 M301 L302S300-N304 PolarHBondContact O-N 3.09Å; S300-N304 PolarHBondContact O-ND2 3.09Å; M301-N304 PolarHBondContact O-N 3.1Å; M301-N304 VanDerWaalsContact O-N 3.13Å; L302-N304 VanDerWaalsContact C-N 3.35Å
305N93.1Very high95.6Very high7 Ų740.8 Ų40.84%0.03721%0.213CC..  trans-94.1128.8176.9-172.8-52.3000110.8M272 N275 M301 S307 I308 R330 N331M272-N305 PolarHBondContact O-ND2 3.19Å; N275-N305 PolarHBondContact O-ND2 2.95Å; M301-N305 VanDerWaalsContact O-CB 3.3Å; M301-N305 WeakPolarHBondContact O-CB 3.37Å; M301-N305 PolarHBondContact O-N 3.4Å; M301-N305 HydrophobicContact SD-CB 4.03Å; N305-S307 PolarHBondContact OD1-N 3.02Å; N305-S307 PolarHBondContact OD1-OG 2.99Å; N305-I308 HydrophobicContact CB-CD1 4.35Å; N305-I308 PolarHBondContact OD1-N 3.2Å; N305-R330 PolarHBondContact O-NH2 2.83Å; N305-N331 PolarHBondContact O-ND2 3.28Å
306S92.1Very high95.4Very high73 Ų7344.3 Ų44.351%0.5123%0.232SC..SBendtrans-101.8-9.4177.953.50000115.4N331S306-N331 WeakPolarHBondContact CA-OD1 3.4Å
307S93.9Very high95.3Very high19 Ų1943.9 Ų43.913%0.13323%0.229CC..SBendtrans-83.1-33.9-176.567.70000112.6N275 A276 L278 N305 L309N275-S307 PolarHBondContact O-OG 2.96Å; A276-S307 WeakPolarHBondContact O-CB 3.36Å; L278-S307 CarbonylContact O-C 3.57Å; L278-S307 PolarHBondContact O-OG 3.22Å; N305-S307 PolarHBondContact OD1-N 3.02Å; N305-S307 PolarHBondContact OD1-OG 2.99Å; S307-L309 PolarHBondContact O-N 3.01Å
308I95.7Very high95.2Very high0 Ų047.3 Ų47.30%024%0.244CC..  trans-70.3125.9-176.9-59166.7000110.8M272 M301 L302 N305 F311 I328 N331M272-I308 HydrophobicContact CE-CD1 3.43Å; M272-I308 VanDerWaalsContact CE-CD1 3.43Å; M272-I308 HydrophobicContact CE-CG1 3.84Å; M301-I308 HydrophobicContact CE-CD1 3.85Å; M301-I308 HydrophobicContact SD-CD1 3.58Å; M301-I308 VanDerWaalsContact SD-CD1 3.58Å; L302-I308 HydrophobicContact CD2-CB 4.17Å; L302-I308 HydrophobicContact CD2-CD1 3.78Å; L302-I308 HydrophobicContact CD2-CG2 3.88Å; N305-I308 HydrophobicContact CB-CD1 4.35Å; N305-I308 PolarHBondContact OD1-N 3.2Å; I308-F311 HydrophobicContact CG2-CB 4.43Å; I308-F311 HydrophobicContact CG2-CD2 4.46Å; I308-I328 HydrophobicContact CB-CD1 4.49Å; I308-I328 HydrophobicContact CG2-CD1 3.78Å; I308-N331 WeakPolarHBondContact O-CB 3.29Å; I308-N331 PolarHBondContact O-ND2 2.88Å
309L95.9Very high95.2Very high25 Ų2549.4 Ų49.413%0.13127%0.266CS..  trans-113.6-22.2178.3-57177.8000113.4V279 S307 I328 N331 N332 I335V279-L309 HydrophobicContact CG1-CB 3.85Å; V279-L309 HydrophobicContact CG1-CD1 3.5Å; V279-L309 VanDerWaalsContact CG1-CD1 3.5Å; V279-L309 HydrophobicContact CG1-CG 3.71Å; V279-L309 PolarHBondContact O-N 3.02Å; S307-L309 PolarHBondContact O-N 3.01Å; L309-I328 WeakPolarHBondContact O-CG2 3.16Å; L309-N331 HydrophobicContact CD2-CB 3.8Å; L309-N332 PolarHBondContact O-ND2 3.43Å; L309-N332 VanDerWaalsContact O-ND2 3.12Å; L309-I335 HydrophobicContact CD1-CD1 3.3Å; L309-I335 HydrophobicContact CD2-CD1 3.49Å; L309-I335 VanDerWaalsContact CD2-CD1 3.49Å; L309-I335 HydrophobicContact CD2-CG1 4.33Å; L309-I335 HydrophobicContact CG-CD1 3.87Å
310K96.9Very high95.2Very high120 Ų12049.7 Ų49.752%0.52227%0.268SS..EExtended strand (participates in β ladder)trans-135.8124.7179.2-66178.5-174.4172.20108.9V279 E280 L281V279-K310 PolarHBondContact O-N 3.25Å; V279-K310 VanDerWaalsContact O-N 3.13Å; E280-K310 WeakPolarHBondContact CA-O 3.23Å; E280-K310 HydrophobicContact CB-CB 4.11Å; E280-K310 HydrophobicContact CG-CB 3.86Å; E280-K310 HydrophobicContact CG-CD 4.25Å; E280-K310 IonicContact OE2-NZ 3.2Å; L281-K310 PolarHBondContact N-O 2.89Å; L281-K310 VanDerWaalsContact N-O 3.1Å
311F97.1Very high95.3Very high31 Ų3153.3 Ų53.314%0.13628%0.276CS..EExtended strand (participates in β ladder)trans-125.9109.2176.6-165.2-92.8000109.1I269 L281 I283 I298 M301 L302 I308 Y313 F315 I328I269-F311 HydrophobicContact CD1-CE2 4.33Å; I269-F311 HydrophobicContact CD1-CZ 4.13Å; L281-F311 HydrophobicContact CB-CD2 4.28Å; L281-F311 HydrophobicContact CB-CE2 4.42Å; L281-F311 HydrophobicContact CD2-CE2 3.91Å; L281-F311 HydrophobicContact CG-CE2 4.22Å; L281-F311 CarbonylContact O-C 3.47Å; L281-F311 WeakPolarHBondContact O-CA 3.43Å; I283-F311 HydrophobicContact CD1-CE1 3.97Å; I283-F311 HydrophobicContact CD1-CZ 3.58Å; I283-F311 HydrophobicContact CG1-CE1 4.31Å; I283-F311 HydrophobicContact CG1-CZ 4.16Å; I298-F311 HydrophobicContact CB-CZ 4.46Å; I298-F311 HydrophobicContact CD1-CE1 4.41Å; I298-F311 HydrophobicContact CD1-CZ 4.28Å; I298-F311 HydrophobicContact CG1-CZ 4.23Å; I298-F311 HydrophobicContact CG2-CD1 4.23Å; I298-F311 HydrophobicContact CG2-CE1 3.39Å; I298-F311 HydrophobicContact CG2-CE2 4.22Å; I298-F311 HydrophobicContact CG2-CZ 3.39Å; M301-F311 HydrophobicContact CE-CE2 3.98Å; L302-F311 HydrophobicContact CD1-CB 4.3Å; L302-F311 HydrophobicContact CD1-CD1 4.19Å; L302-F311 HydrophobicContact CD1-CD2 4.28Å; L302-F311 HydrophobicContact CD1-CG 4Å; L302-F311 HydrophobicContact CD2-CB 4.35Å; L302-F311 HydrophobicContact CD2-CD2 3.84Å; L302-F311 HydrophobicContact CD2-CE2 4.43Å; L302-F311 HydrophobicContact CD2-CG 4.2Å; L302-F311 HydrophobicContact CG-CD2 4.46Å; I308-F311 HydrophobicContact CG2-CB 4.43Å; I308-F311 HydrophobicContact CG2-CD2 4.46Å; F311-Y313 VanDerWaalsContact CE1-CB 3.47Å; F311-Y313 HydrophobicContact CE1-CD1 4.48Å; F311-Y313 HydrophobicContact CE1-CG 4.26Å; F311-Y313 PolarHBondContact O-N 3.35Å; F311-F315 HydrophobicContact CD1-CE2 4.42Å; F311-F315 HydrophobicContact CD1-CZ 4.42Å; F311-F315 HydrophobicContact CE1-CZ 4.31Å; F311-I328 HydrophobicContact CB-CD1 4.15Å
312G96.1Very high95.3Very high20 Ų2055.5 Ų55.521%0.20629%0.294CS..EExtended strand (participates in β ladder)trans-87.990.1-179.600000111L281 I283 D284L281-G312 PolarHBondContact O-N 3.34Å; I283-G312 PolarHBondContact N-O 3.24Å; D284-G312 PolarHBondContact N-O 3.46Å
313Y96.8Very high95.4Very high27 Ų2759.1 Ų59.111%0.10631%0.308CS..  trans-158134.3172178.4-110.1000110.8I283 L290 E295 I298 F311 F315I283-Y313 HydrophobicContact CD1-CD2 4.2Å; I283-Y313 HydrophobicContact CD1-CG 4.26Å; I283-Y313 HydrophobicContact CG1-CD2 4.05Å; I283-Y313 HydrophobicContact CG1-CG 4.21Å; L290-Y313 HydrophobicContact CD1-CD2 4.05Å; L290-Y313 HydrophobicContact CD1-CE2 3.43Å; L290-Y313 VanDerWaalsContact CD1-CE2 3.43Å; L290-Y313 HydrophobicContact CG-CE2 4.1Å; E295-Y313 HydrophobicContact CG-CE1 3.82Å; E295-Y313 PolarHBondContact OE1-OH 2.95Å; I298-Y313 HydrophobicContact CD1-CD1 4.29Å; I298-Y313 HydrophobicContact CD1-CE1 4.38Å; F311-Y313 VanDerWaalsContact CE1-CB 3.47Å; F311-Y313 HydrophobicContact CE1-CD1 4.48Å; F311-Y313 HydrophobicContact CE1-CG 4.26Å; F311-Y313 PolarHBondContact O-N 3.35Å; Y313-F315 AromaticContact CD1-CD1 3.88Å; Y313-F315 HydrophobicContact CD1-CD1 3.88Å; Y313-F315 AromaticContact CD1-CD2 3.94Å; Y313-F315 HydrophobicContact CD1-CD2 3.94Å; Y313-F315 AromaticContact CD1-CE1 3.97Å; Y313-F315 HydrophobicContact CD1-CE1 3.97Å; Y313-F315 HydrophobicContact CD1-CE2 4.01Å; Y313-F315 AromaticContact CD1-CG 3.88Å; Y313-F315 HydrophobicContact CD1-CG 3.88Å; Y313-F315 HydrophobicContact CD1-CZ 4.04Å; Y313-F315 HydrophobicContact CE1-CB 4.41Å; Y313-F315 AromaticContact CE1-CD1 3.83Å; Y313-F315 HydrophobicContact CE1-CD1 3.83Å; Y313-F315 HydrophobicContact CE1-CE1 4.22Å; Y313-F315 HydrophobicContact CE1-CG 4.01Å; Y313-F315 PolarHBondContact O-N 3.37Å
314H95.1Very high95.5Very high117 Ų11755.8 Ų55.854%0.54229%0.293SS..  trans-85.9104.1171.5-172.877.1000111.9D284D284-H314 PolarHBondContact OD1-N 3.43Å; D284-H314 WeakPolarHBondContact OD2-CB 3.42Å; D284-H314 PolarHBondContact OD2-N 3.01Å; D284-H314 VanDerWaalsContact OD2-N 3.11Å
315F94.6Very high95.6Very high14 Ų1452.4 Ų52.46%0.06128%0.282CS..  trans-70129.3174.1-66.7-91000112.1E295 I298 F311 Y313 P320 R321 A324E295-F315 HydrophobicContact CB-CD1 4.13Å; E295-F315 HydrophobicContact CB-CE1 4.49Å; E295-F315 HydrophobicContact CG-CD1 4.23Å; I298-F315 HydrophobicContact CB-CE1 4.19Å; I298-F315 HydrophobicContact CB-CZ 4.44Å; I298-F315 HydrophobicContact CG2-CE1 3.78Å; I298-F315 HydrophobicContact CG2-CZ 3.54Å; F311-F315 HydrophobicContact CD1-CE2 4.42Å; F311-F315 HydrophobicContact CD1-CZ 4.42Å; F311-F315 HydrophobicContact CE1-CZ 4.31Å; Y313-F315 AromaticContact CD1-CD1 3.88Å; Y313-F315 HydrophobicContact CD1-CD1 3.88Å; Y313-F315 AromaticContact CD1-CD2 3.94Å; Y313-F315 HydrophobicContact CD1-CD2 3.94Å; Y313-F315 AromaticContact CD1-CE1 3.97Å; Y313-F315 HydrophobicContact CD1-CE1 3.97Å; Y313-F315 HydrophobicContact CD1-CE2 4.01Å; Y313-F315 AromaticContact CD1-CG 3.88Å; Y313-F315 HydrophobicContact CD1-CG 3.88Å; Y313-F315 HydrophobicContact CD1-CZ 4.04Å; Y313-F315 HydrophobicContact CE1-CB 4.41Å; Y313-F315 AromaticContact CE1-CD1 3.83Å; Y313-F315 HydrophobicContact CE1-CD1 3.83Å; Y313-F315 HydrophobicContact CE1-CE1 4.22Å; Y313-F315 HydrophobicContact CE1-CG 4.01Å; Y313-F315 PolarHBondContact O-N 3.37Å; F315-P320 HydrophobicContact CD1-CB 3.67Å; F315-P320 HydrophobicContact CE1-CB 3.93Å; F315-R321 HydrophobicContact CB-CB 3.63Å; F315-R321 HydrophobicContact CB-CG 4.04Å; F315-R321 HydrophobicContact CD2-CB 4.29Å; F315-R321 HydrophobicContact CD2-CG 4.29Å; F315-R321 HydrophobicContact CG-CB 4.03Å; F315-R321 HydrophobicContact CG-CG 4.44Å; F315-A324 HydrophobicContact CE1-CB 4.34Å; F315-A324 HydrophobicContact CE2-CB 3.65Å; F315-A324 HydrophobicContact CZ-CB 3.49Å; F315-A324 VanDerWaalsContact CZ-CB 3.49Å
316N92.9Very high95.8Very high75 Ų7558.7 Ų58.740%0.40131%0.313SS..SBendtrans-78-36.1172.4-61.5-78.6000111.1E295E295-N316 PolarHBondContact OE1-N 3.35Å; E295-N316 PolarHBondContact OE1-ND2 3.09Å; E295-N316 PolarHBondContact OE2-N 3.35Å
317Q94.2Very high96Very high82 Ų8255.4 Ų55.438%0.38329%0.291SS..SBendtrans-91.3131.9-177.4-60.7-61.4-23.200111.9D292 E295 G319 P320 R321D292-Q317 VanDerWaalsContact OD1-CG 3.3Å; D292-Q317 WeakPolarHBondContact OD1-CG 3.3Å; D292-Q317 PolarHBondContact OD1-NE2 3.21Å; E295-Q317 WeakPolarHBondContact OE2-CB 3.36Å; E295-Q317 PolarHBondContact OE2-N 3.35Å; Q317-G319 VanDerWaalsContact C-N 3.31Å; Q317-G319 PolarHBondContact O-N 2.87Å; Q317-P320 HydrophobicContact CB-CG 3.91Å; Q317-R321 VanDerWaalsContact O-CB 3.3Å; Q317-R321 WeakPolarHBondContact O-CB 3.24Å; Q317-R321 PolarHBondContact O-N 3Å
318Q94.3Very high96.2Very high142 Ų14255.9 Ų55.966%0.66429%0.291SS*.Hα-helixtrans-64.7-34-179.1-177.2169.719.500113.1A322Q318-A322 WeakPolarHBondContact O-CB 3.4Å; Q318-A322 PolarHBondContact O-N 2.97Å
319G96.4Very high96.3Very high44 Ų4460.5 Ų60.545%0.45432%0.32SS..Hα-helixtrans-61.6-64-179.400000112.9Q317 R321 A322 R323Q317-G319 VanDerWaalsContact C-N 3.31Å; Q317-G319 PolarHBondContact O-N 2.87Å; G319-R321 VanDerWaalsContact C-N 3.26Å; G319-R321 PolarHBondContact O-N 2.74Å; G319-A322 PolarHBondContact O-N 2.84Å; G319-R323 PolarHBondContact O-N 2.96Å; G319-R323 VanDerWaalsContact O-N 3.17Å
320P96.9Very high96.3Very high6 Ų664 Ų644%0.03933%0.331CS..Hα-helixtrans-50.8-43.3172.5-30.536.6000113.6E295 M296 A299 F315 Q317 A322 R323 A324E295-P320 HydrophobicContact CB-CB 4.06Å; E295-P320 HydrophobicContact CB-CG 4.04Å; M296-P320 HydrophobicContact CG-CG 4.13Å; M296-P320 HydrophobicContact SD-CG 3.6Å; A299-P320 HydrophobicContact CB-CB 4.12Å; F315-P320 HydrophobicContact CD1-CB 3.67Å; F315-P320 HydrophobicContact CE1-CB 3.93Å; Q317-P320 HydrophobicContact CB-CG 3.91Å; P320-A322 PolarHBondContact O-N 3.05Å; P320-R323 PolarHBondContact O-N 3.5Å; P320-A324 VanDerWaalsContact O-CB 3.3Å; P320-A324 WeakPolarHBondContact O-CB 3.42Å; P320-A324 PolarHBondContact O-N 3.5Å
321R97.3Very high96.2Very high115 Ų11558.2 Ų58.243%0.43431%0.306SS..Hα-helixtrans-57.3-47.7179.1-171175.664-177.4-0112.7F315 Q317 G319 A325F315-R321 HydrophobicContact CB-CB 3.63Å; F315-R321 HydrophobicContact CB-CG 4.04Å; F315-R321 HydrophobicContact CD2-CB 4.29Å; F315-R321 HydrophobicContact CD2-CG 4.29Å; F315-R321 HydrophobicContact CG-CB 4.03Å; F315-R321 HydrophobicContact CG-CG 4.44Å; Q317-R321 VanDerWaalsContact O-CB 3.3Å; Q317-R321 WeakPolarHBondContact O-CB 3.24Å; Q317-R321 PolarHBondContact O-N 3Å; G319-R321 VanDerWaalsContact C-N 3.26Å; G319-R321 PolarHBondContact O-N 2.74Å; R321-A325 WeakPolarHBondContact O-CB 3.46Å; R321-A325 PolarHBondContact O-N 2.91Å
322A97.4Very high96.2Very high49 Ų4960.1 Ų60.141%0.40532%0.318SS..Hα-helixtrans-65.5-44-179.600000111.4Q318 G319 P320 A325 M326Q318-A322 WeakPolarHBondContact O-CB 3.4Å; Q318-A322 PolarHBondContact O-N 2.97Å; G319-A322 PolarHBondContact O-N 2.84Å; P320-A322 PolarHBondContact O-N 3.05Å; A322-A325 PolarHBondContact O-N 3.36Å; A322-M326 VanDerWaalsContact O-CG 3.3Å; A322-M326 WeakPolarHBondContact O-CG 3.32Å; A322-M326 PolarHBondContact O-N 3.16Å
323R97.4Very high96.2Very high76 Ų7661.9 Ų61.929%0.28732%0.322SS..Hα-helixtrans-60.7-48.7177.1-71.7177.669.8-166.20.2112.1A299 E303 G319 P320 A325 M326 A327A299-R323 HydrophobicContact CB-CB 3.96Å; E303-R323 WeakPolarHBondContact OE1-CB 3.33Å; E303-R323 IonicContact OE1-CZ 2.81Å; E303-R323 IonicContact OE1-NE 2.67Å; E303-R323 PolarHBondContact OE1-NE 3.09Å; E303-R323 IonicContact OE1-NH2 2.82Å; E303-R323 PolarHBondContact OE1-NH2 3.46Å; E303-R323 IonicContact OE2-CZ 3.2Å; E303-R323 IonicContact OE2-NE 3.79Å; E303-R323 IonicContact OE2-NH2 3Å; E303-R323 PolarHBondContact OE2-NH2 3.3Å; G319-R323 PolarHBondContact O-N 2.96Å; G319-R323 VanDerWaalsContact O-N 3.17Å; P320-R323 PolarHBondContact O-N 3.5Å; R323-A325 PolarHBondContact O-N 2.9Å; R323-M326 PolarHBondContact O-N 3.38Å; R323-A327 PolarHBondContact O-N 3.03Å
324A96.9Very high96Very high4 Ų463.5 Ų63.53%0.03333%0.331CS..Hα-helixtrans-58.4-46.8175.800000111.8L302 F315 P320 M326 A327 I328L302-A324 HydrophobicContact CD1-CB 3.56Å; F315-A324 HydrophobicContact CE1-CB 4.34Å; F315-A324 HydrophobicContact CE2-CB 3.65Å; F315-A324 HydrophobicContact CZ-CB 3.49Å; F315-A324 VanDerWaalsContact CZ-CB 3.49Å; P320-A324 VanDerWaalsContact O-CB 3.3Å; P320-A324 WeakPolarHBondContact O-CB 3.42Å; P320-A324 PolarHBondContact O-N 3.5Å; A324-M326 VanDerWaalsContact C-N 3.34Å; A324-M326 PolarHBondContact O-N 3.27Å; A324-A327 PolarHBondContact O-N 3.5Å; A324-I328 WeakPolarHBondContact O-CG1 3.41Å; A324-I328 PolarHBondContact O-N 2.92Å
325A97Very high95.8Very high54 Ų5460 Ų6045%0.44632%0.316SS..Hα-helixtrans-61.3-41.2178.300000112.5R321 A322 R323 T329R321-A325 WeakPolarHBondContact O-CB 3.46Å; R321-A325 PolarHBondContact O-N 2.91Å; A322-A325 PolarHBondContact O-N 3.36Å; R323-A325 PolarHBondContact O-N 2.9Å; A325-T329 WeakPolarHBondContact O-CB 3.18Å; A325-T329 PolarHBondContact O-N 3.3Å; A325-T329 PolarHBondContact O-OG1 2.87Å
326M97.4Very high95.8Very high140 Ų14065.3 Ų65.369%0.6934%0.336SS*.Hα-helixtrans-63.6-44.2175.4-71.8173.265.800111.8A322 R323 A324 T329 R330A322-M326 VanDerWaalsContact O-CG 3.3Å; A322-M326 WeakPolarHBondContact O-CG 3.32Å; A322-M326 PolarHBondContact O-N 3.16Å; R323-M326 PolarHBondContact O-N 3.38Å; A324-M326 VanDerWaalsContact C-N 3.34Å; A324-M326 PolarHBondContact O-N 3.27Å; M326-T329 PolarHBondContact O-N 3.16Å; M326-R330 WeakPolarHBondContact O-CB 3.44Å; M326-R330 PolarHBondContact O-N 3.07Å
327A96.7Very high95.8Very high4 Ų465.7 Ų65.73%0.03334%0.335CS..Hα-helixtrans-62.4-46.217800000112.4L302 E303 R323 A324 T329 R330 N331L302-A327 HydrophobicContact CB-CB 4Å; L302-A327 WeakPolarHBondContact O-CB 3.28Å; E303-A327 HydrophobicContact CG-CB 4.23Å; R323-A327 PolarHBondContact O-N 3.03Å; A324-A327 PolarHBondContact O-N 3.5Å; A327-T329 VanDerWaalsContact C-N 3.34Å; A327-T329 PolarHBondContact O-N 3.45Å; A327-R330 WeakPolarHBondContact O-CB 3.46Å; A327-R330 PolarHBondContact O-N 3.3Å; A327-N331 VanDerWaalsContact O-CG 3.31Å; A327-N331 PolarHBondContact O-N 3.35Å; A327-N331 PolarHBondContact O-OD1 2.97Å
328I96.8Very high95.7Very high29 Ų2968.2 Ų68.215%0.14935%0.347CS..Hα-helixtrans-63.3-40.2176.4-66.8-62.7000111.6L302 I308 L309 F311 A324 N331 N332L302-I328 HydrophobicContact CD2-CD1 4.01Å; I308-I328 HydrophobicContact CB-CD1 4.49Å; I308-I328 HydrophobicContact CG2-CD1 3.78Å; L309-I328 WeakPolarHBondContact O-CG2 3.16Å; F311-I328 HydrophobicContact CB-CD1 4.15Å; A324-I328 WeakPolarHBondContact O-CG1 3.41Å; A324-I328 PolarHBondContact O-N 2.92Å; I328-N331 PolarHBondContact O-N 2.99Å; I328-N332 WeakPolarHBondContact CG2-ND2 3.41Å; I328-N332 PolarHBondContact O-N 3.26Å; I328-N332 PolarHBondContact O-ND2 2.91Å
329T97.3Very high95.5Very high96 Ų9671 Ų7159%0.58935%0.352SS*.Hα-helixtrans-64.2-43176.8-57.70000111A325 M326 A327 N331 N332 D333A325-T329 WeakPolarHBondContact O-CB 3.18Å; A325-T329 PolarHBondContact O-N 3.3Å; A325-T329 PolarHBondContact O-OG1 2.87Å; M326-T329 PolarHBondContact O-N 3.16Å; A327-T329 VanDerWaalsContact C-N 3.34Å; A327-T329 PolarHBondContact O-N 3.45Å; T329-N331 PolarHBondContact O-N 3.36Å; T329-N332 PolarHBondContact O-N 3.23Å; T329-D333 WeakPolarHBondContact O-CB 3.31Å; T329-D333 PolarHBondContact O-N 3.04Å
330R96.8Very high95Very high98 Ų9875 Ų7537%0.3736%0.362SS..Hα-helixtrans-58.1-46.9174.3176.2-172.463.9801.6111.3E303 N305 M326 A327 D333 M334E303-R330 PolarHBondContact O-NH2 2.91Å; N305-R330 PolarHBondContact O-NH2 2.83Å; M326-R330 WeakPolarHBondContact O-CB 3.44Å; M326-R330 PolarHBondContact O-N 3.07Å; A327-R330 WeakPolarHBondContact O-CB 3.46Å; A327-R330 PolarHBondContact O-N 3.3Å; R330-D333 PolarHBondContact O-N 2.99Å; R330-M334 HydrophobicContact CG-CE 4.48Å; R330-M334 WeakPolarHBondContact O-CG 3.44Å; R330-M334 PolarHBondContact O-N 2.93Å
331N95.4Very high93.8Very high0 Ų087.3 Ų87.30%041%0.408CS..Hα-helixtrans-63.9-44.7-179.7-66.5-7.3000112.3N305 S306 I308 L309 A327 I328 T329 D333 M334 I335N305-N331 PolarHBondContact O-ND2 3.28Å; S306-N331 WeakPolarHBondContact CA-OD1 3.4Å; I308-N331 WeakPolarHBondContact O-CB 3.29Å; I308-N331 PolarHBondContact O-ND2 2.88Å; L309-N331 HydrophobicContact CD2-CB 3.8Å; A327-N331 VanDerWaalsContact O-CG 3.31Å; A327-N331 PolarHBondContact O-N 3.35Å; A327-N331 PolarHBondContact O-OD1 2.97Å; I328-N331 PolarHBondContact O-N 2.99Å; T329-N331 PolarHBondContact O-N 3.36Å; N331-D333 VanDerWaalsContact C-N 3.35Å; N331-D333 PolarHBondContact O-N 3.45Å; N331-M334 HydrophobicContact CB-CE 4.28Å; N331-M334 PolarHBondContact O-N 3.4Å; N331-M334 WeakPolarHBondContact OD1-CE 3.3Å; N331-I335 PolarHBondContact O-N 3.13Å
332N96Very high93.7Very high71 Ų7186 Ų8638%0.3841%0.406SS..Hα-helixtrans-62.4-39.8175-80.1-70.1000112.5L309 I328 T329 I335 R336L309-N332 PolarHBondContact O-ND2 3.43Å; L309-N332 VanDerWaalsContact O-ND2 3.12Å; I328-N332 WeakPolarHBondContact CG2-ND2 3.41Å; I328-N332 PolarHBondContact O-N 3.26Å; I328-N332 PolarHBondContact O-ND2 2.91Å; T329-N332 PolarHBondContact O-N 3.23Å; N332-I335 PolarHBondContact O-N 3.5Å; N332-R336 PolarHBondContact O-N 3.49Å
333D95.8Very high93.5Very high57 Ų5787.9 Ų87.931%0.30541%0.406SS..Hα-helixtrans-67.7-36.7177.5-167.857.5000112.3T329 R330 N331 I335 R336 Q337T329-D333 WeakPolarHBondContact O-CB 3.31Å; T329-D333 PolarHBondContact O-N 3.04Å; R330-D333 PolarHBondContact O-N 2.99Å; N331-D333 VanDerWaalsContact C-N 3.35Å; N331-D333 PolarHBondContact O-N 3.45Å; D333-I335 VanDerWaalsContact C-N 3.33Å; D333-I335 PolarHBondContact O-N 3.04Å; D333-R336 WeakPolarHBondContact O-CB 3.39Å; D333-R336 PolarHBondContact O-N 3.31Å; D333-R336 IonicContact OD1-CZ 2.77Å; D333-R336 IonicContact OD1-NE 3.58Å; D333-R336 PolarHBondContact OD1-NE 3.28Å; D333-R336 IonicContact OD1-NH2 3.93Å; D333-R336 PolarHBondContact OD1-NH2 3.43Å; D333-R336 IonicContact OD2-NH2 2.77Å; D333-Q337 WeakPolarHBondContact O-CG 3.45Å; D333-Q337 PolarHBondContact O-N 3.19Å; D333-Q337 PolarHBondContact OD2-NE2 3.07Å
334M93.3Very high93.3Very high60 Ų6088.6 Ų88.630%0.29641%0.413SS..Hα-helixtrans-58.4-44.6174-73.6-172-63.300111.9R330 N331 Q337 Q338R330-M334 HydrophobicContact CG-CE 4.48Å; R330-M334 WeakPolarHBondContact O-CG 3.44Å; R330-M334 PolarHBondContact O-N 2.93Å; N331-M334 HydrophobicContact CB-CE 4.28Å; N331-M334 PolarHBondContact O-N 3.4Å; N331-M334 WeakPolarHBondContact OD1-CE 3.3Å; M334-Q337 PolarHBondContact O-N 3.01Å; M334-Q338 WeakPolarHBondContact O-CG 3.47Å; M334-Q338 PolarHBondContact O-N 3.28Å
335I92.3Very high93Very high44 Ų4493.5 Ų93.523%0.22644%0.435CS..Hα-helixtrans-66.7-39.7176.7-66.6-176.3000111.1L309 N331 N332 D333 Q337 Q338 R339L309-I335 HydrophobicContact CD1-CD1 3.3Å; L309-I335 HydrophobicContact CD2-CD1 3.49Å; L309-I335 VanDerWaalsContact CD2-CD1 3.49Å; L309-I335 HydrophobicContact CD2-CG1 4.33Å; L309-I335 HydrophobicContact CG-CD1 3.87Å; N331-I335 PolarHBondContact O-N 3.13Å; N332-I335 PolarHBondContact O-N 3.5Å; D333-I335 VanDerWaalsContact C-N 3.33Å; D333-I335 PolarHBondContact O-N 3.04Å; I335-Q337 VanDerWaalsContact C-N 3.31Å; I335-Q337 PolarHBondContact O-N 3.43Å; I335-Q338 PolarHBondContact O-N 3.45Å; I335-R339 WeakPolarHBondContact O-CG 3.47Å; I335-R339 PolarHBondContact O-N 2.86Å
336R94Very high92.8Very high125 Ų12596 Ų9647%0.47244%0.435SS..Hα-helixtrans-58.6-44.2173.9-172.8-168.166.782.83.6111.3N332 D333 R339 L340N332-R336 PolarHBondContact O-N 3.49Å; D333-R336 WeakPolarHBondContact O-CB 3.39Å; D333-R336 PolarHBondContact O-N 3.31Å; D333-R336 IonicContact OD1-CZ 2.77Å; D333-R336 IonicContact OD1-NE 3.58Å; D333-R336 PolarHBondContact OD1-NE 3.28Å; D333-R336 IonicContact OD1-NH2 3.93Å; D333-R336 PolarHBondContact OD1-NH2 3.43Å; D333-R336 IonicContact OD2-NH2 2.77Å; R336-R339 PolarHBondContact O-N 3.14Å; R336-L340 VanDerWaalsContact NH1-CD1 3.34Å; R336-L340 WeakPolarHBondContact O-CG 3.42Å; R336-L340 PolarHBondContact O-N 3.25Å
337Q93.3Very high92.5Very high84 Ų8493.1 Ų93.139%0.39342%0.418SS..Hα-helixtrans-65.2-38.4177.1-69.2179.42300112.3D333 M334 I335 R339 L340 R341D333-Q337 WeakPolarHBondContact O-CG 3.45Å; D333-Q337 PolarHBondContact O-N 3.19Å; D333-Q337 PolarHBondContact OD2-NE2 3.07Å; M334-Q337 PolarHBondContact O-N 3.01Å; I335-Q337 VanDerWaalsContact C-N 3.31Å; I335-Q337 PolarHBondContact O-N 3.43Å; Q337-R339 VanDerWaalsContact C-N 3.33Å; Q337-R339 PolarHBondContact O-N 3.46Å; Q337-L340 PolarHBondContact O-N 3.37Å; Q337-R341 PolarHBondContact O-N 2.86Å
338Q90.9Very high92.2Very high134 Ų13499.4 Ų99.463%0.62645%0.445SS*.Hα-helixtrans-62.9-37.8174.8-73.7172.3-400112.2M334 I335 L340 R341M334-Q338 WeakPolarHBondContact O-CG 3.47Å; M334-Q338 PolarHBondContact O-N 3.28Å; I335-Q338 PolarHBondContact O-N 3.45Å; Q338-L340 PolarHBondContact O-N 2.93Å; Q338-R341 PolarHBondContact O-N 2.94Å
339R90.2Very high91.8Very high202 Ų202104.8 Ų104.876%0.76247%0.468SS*.Hα-helixtrans-68.6-20176.7-68.3172.3-173.7178.33.2114.1I335 R336 Q337I335-R339 WeakPolarHBondContact O-CG 3.47Å; I335-R339 PolarHBondContact O-N 2.86Å; R336-R339 PolarHBondContact O-N 3.14Å; Q337-R339 VanDerWaalsContact C-N 3.33Å; Q337-R339 PolarHBondContact O-N 3.46Å
340L87.1Confident91.4Very high127 Ų127105.6 Ų105.667%0.66546%0.458SS*.THydrogen-bonded Turntrans-91.9-10-179.5-71.2171.6000113.4R336 Q337 Q338R336-L340 VanDerWaalsContact NH1-CD1 3.34Å; R336-L340 WeakPolarHBondContact O-CG 3.42Å; R336-L340 PolarHBondContact O-N 3.25Å; Q337-L340 PolarHBondContact O-N 3.37Å; Q338-L340 PolarHBondContact O-N 2.93Å
341R71.6Confident90.9Very high265 Ų265106.3 Ų106.3100%147%0.466SS*.  trans-91.10176.2-71-178.2-179.2-173.62.2110.7Q337 Q338Q337-R341 PolarHBondContact O-N 2.86Å; Q338-R341 PolarHBondContact O-N 2.94Å

Retrieved 341 of 341 residues in 217.4 ms (Link to these results)