A0A3Q0KRL8_SCHMA Loading...

Glutamine-dependent NAD(+) synthetase

AlphaFold DB , UniProt , Accession A0A3Q0KRL8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 768 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
1M39Very low38.7Very low248 Ų248125 Ų125100%1.22270%0.698SS**  093.70-63.4-171.4-159.300107A3M1-A3 PolarHBondContact O-N 3.1Å
2S35.8Very low41Very low115 Ų115115 Ų11580%0.80464%0.643SS**  trans-73.4111.4174.146.20000107.7E4S2-E4 PolarHBondContact O-N 2.88Å; S2-E4 VanDerWaalsContact O-N 3.13Å
3A35.2Very low44.3Very low89 Ų89109.5 Ų109.574%0.73661%0.611SS**  trans-62.9111.9169.900000107.9M1 V5M1-A3 PolarHBondContact O-N 3.1Å; A3-V5 PolarHBondContact O-N 3.32Å
4E36.1Very low47.4Very low179 Ų179105 Ų10584%0.83658%0.582SS**  trans-58.6105.8163.9-78.8179.7155.900107.3S2 I6S2-E4 PolarHBondContact O-N 2.88Å; S2-E4 VanDerWaalsContact O-N 3.13Å; E4-I6 VanDerWaalsContact C-N 3.3Å; E4-I6 PolarHBondContact O-N 2.87Å
5V32.9Very low50.3Low123 Ų12398 Ų9875%0.74554%0.543SS*.  trans-65.199.2165.3176.60000105.6A3 N7A3-V5 PolarHBondContact O-N 3.32Å; V5-N7 VanDerWaalsContact C-N 3.28Å; V5-N7 PolarHBondContact O-N 3.4Å
6I34.7Very low53Low128 Ų12891.9 Ų91.966%0.65651%0.51SS*.  trans-63.397.2169.9-58.2174.9000106E4 F8E4-I6 VanDerWaalsContact C-N 3.3Å; E4-I6 PolarHBondContact O-N 2.87Å; I6-F8 VanDerWaalsContact C-N 3.28Å; I6-F8 HydrophobicContact CB-CD2 4.42Å; I6-F8 HydrophobicContact CB-CE2 4.44Å; I6-F8 HydrophobicContact CG2-CD2 3.63Å; I6-F8 HydrophobicContact CG2-CE2 3.53Å; I6-F8 HydrophobicContact CG2-CZ 4.38Å; I6-F8 PolarHBondContact O-N 2.97Å
7N31.1Very low55.6Low147 Ų14786.6 Ų86.679%0.78648%0.48SS*.  trans-75.485.1-179.3-145.26.5000107.7V5 S9V5-N7 VanDerWaalsContact C-N 3.28Å; V5-N7 PolarHBondContact O-N 3.4Å; N7-S9 VanDerWaalsContact C-N 3.26Å; N7-S9 PolarHBondContact O-N 2.89Å
8F36Very low57.9Low177 Ų17781.8 Ų81.878%0.77645%0.453SS*.  trans-68.488.1168.8-88.1-85.5000108.2I6I6-F8 VanDerWaalsContact C-N 3.28Å; I6-F8 HydrophobicContact CB-CD2 4.42Å; I6-F8 HydrophobicContact CB-CE2 4.44Å; I6-F8 HydrophobicContact CG2-CD2 3.63Å; I6-F8 HydrophobicContact CG2-CE2 3.53Å; I6-F8 HydrophobicContact CG2-CZ 4.38Å; I6-F8 PolarHBondContact O-N 2.97Å
9S42.5Very low60.1Low62 Ų6277.5 Ų77.543%0.43443%0.43SS..  trans-59.5125.4160.6-176.70000107.6N7 V11N7-S9 VanDerWaalsContact C-N 3.26Å; N7-S9 PolarHBondContact O-N 2.89Å; S9-V11 VanDerWaalsContact C-N 3.32Å; S9-V11 PolarHBondContact O-N 2.94Å
10P48.6Very low62Low76 Ų7673.7 Ų73.749%0.49441%0.408SS..  trans-70.393177.228.4-31.3000108.5S12P10-S12 PolarHBondContact O-N 2.98Å
11V53.4Low63.7Low31 Ų3170.2 Ų70.219%0.18839%0.389CS..  trans-63.9130.1175.5-173.80000108.3S9 N13 Y186S9-V11 VanDerWaalsContact C-N 3.32Å; S9-V11 PolarHBondContact O-N 2.94Å; V11-N13 PolarHBondContact O-N 3.49Å; V11-Y186 HydrophobicContact CG2-CD1 3.9Å; V11-Y186 HydrophobicContact CG2-CE1 3.36Å; V11-Y186 HydrophobicContact CG2-CE2 4.3Å
12S66.6Low66.5Low5 Ų558.4 Ų58.44%0.03533%0.331CS..  trans-70.7119.7175177.40000109.3P10 K14 C343 H344 D346P10-S12 PolarHBondContact O-N 2.98Å; S12-K14 PolarHBondContact O-N 3.14Å; S12-K14 WeakPolarHBondContact OG-CB 3.45Å; S12-C343 WeakPolarHBondContact O-CB 3.19Å; S12-H344 WeakPolarHBondContact CB-O 3.36Å; S12-H344 PolarHBondContact N-O 3.04Å; S12-D346 WeakPolarHBondContact CB-O 3.29Å
13N83.6Confident69.5Low43 Ų4353 Ų5323%0.2329%0.293CS..  trans-80.233175.4-59.2-28.5000111.7V11 C297 L298 N299V11-N13 PolarHBondContact O-N 3.49Å; N13-C297 CarbonylContact O-C 3.42Å; N13-L298 HydrophobicContact CB-CB 4.48Å; N13-L298 VanDerWaalsContact O-CB 3.3Å; N13-L298 WeakPolarHBondContact O-CB 3.35Å; N13-L298 PolarHBondContact O-N 3.42Å; N13-N299 PolarHBondContact ND2-ND2 2.78Å
14K87.7Confident72.5Confident47 Ų4748.8 Ų48.820%0.20426%0.258CS..EExtended strand (participates in β ladder)trans-115.1136.6-179.7-60-179.6-177.61770110S12 T295 V296 C297 C343 H344 D350S12-K14 PolarHBondContact O-N 3.14Å; S12-K14 WeakPolarHBondContact OG-CB 3.45Å; K14-T295 HydrophobicContact CB-CG2 3.99Å; K14-T295 HydrophobicContact CD-CG2 4.21Å; K14-V296 WeakPolarHBondContact CA-O 3.45Å; K14-C297 HydrophobicContact CG-CB 4.19Å; K14-C343 CarbonylContact O-C 3.51Å; K14-C343 VanDerWaalsContact O-CA 3.28Å; K14-C343 WeakPolarHBondContact O-CA 3.36Å; K14-H344 PolarHBondContact O-CD2 2.93Å; K14-H344 PolarHBondContact O-N 3.11Å; K14-D350 IonicContact NZ-OD1 2.88Å; K14-D350 PolarHBondContact NZ-OD1 3.44Å
15F91.5Very high75.5Confident0 Ų044.9 Ų44.90%024%0.236CC..EExtended strand (participates in β ladder)trans-123.3151.3171.365.5-87.1000109.7V17 V190 A217 F249 T295 V296 L298 L301 L342F15-V17 HydrophobicContact CD2-CG2 3.88Å; F15-V17 HydrophobicContact CE2-CG2 3.89Å; F15-V190 HydrophobicContact CD1-CG1 4.33Å; F15-V190 HydrophobicContact CD1-CG2 4.22Å; F15-V190 HydrophobicContact CE1-CG1 4.25Å; F15-V190 HydrophobicContact CZ-CG1 4.46Å; F15-A217 HydrophobicContact CE2-CB 4.43Å; F15-A217 HydrophobicContact CZ-CB 4.26Å; F15-F249 HydrophobicContact CE2-CD1 4.04Å; F15-F249 HydrophobicContact CE2-CE1 4.41Å; F15-F249 HydrophobicContact CZ-CD1 4.22Å; F15-T295 WeakPolarHBondContact O-CA 3.44Å; F15-V296 HydrophobicContact CE1-CB 4.11Å; F15-V296 HydrophobicContact CE1-CG1 4.38Å; F15-V296 HydrophobicContact CE2-CB 4.32Å; F15-V296 HydrophobicContact CZ-CB 3.91Å; F15-V296 HydrophobicContact CZ-CG1 4.28Å; F15-V296 PolarHBondContact N-O 3.16Å; F15-V296 PolarHBondContact O-N 2.94Å; F15-L298 HydrophobicContact CE1-CD1 4.38Å; F15-L301 HydrophobicContact CE1-CD1 4.47Å; F15-L342 HydrophobicContact CB-CB 4.3Å; F15-L342 VanDerWaalsContact CB-O 3.26Å; F15-L342 WeakPolarHBondContact CB-O 3.43Å
16T93.6Very high78.6Confident1 Ų140.1 Ų40.11%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-121.3126.3-176.6-56.80000110.3A48 K49 T293 V294 T295 H344T16-A48 HydrophobicContact CG2-CB 4.18Å; T16-K49 PolarHBondContact O-N 2.69Å; T16-K49 VanDerWaalsContact O-N 3.09Å; T16-T293 HydrophobicContact CG2-CG2 4.15Å; T16-V294 WeakPolarHBondContact CA-O 3.23Å; T16-T295 WeakPolarHBondContact CG2-OG1 3.37Å; T16-T295 PolarHBondContact OG1-OG1 3.24Å; T16-H344 PolarHBondContact OG1-NE2 3.39Å
17V96.9Very high81.6Confident1 Ų136.7 Ų36.71%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-111.1133.7177.2-176.20000109.2F15 L19 Y50 V52 L219 F249 T293 V294F15-V17 HydrophobicContact CD2-CG2 3.88Å; F15-V17 HydrophobicContact CE2-CG2 3.89Å; V17-L19 HydrophobicContact CG1-CD2 4.18Å; V17-Y50 CarbonylContact C-O 3.58Å; V17-Y50 WeakPolarHBondContact CA-O 3.16Å; V17-Y50 HydrophobicContact CG1-CD1 4.24Å; V17-V52 HydrophobicContact CG1-CG1 4.06Å; V17-L219 HydrophobicContact CG1-CD1 4.3Å; V17-L219 HydrophobicContact CG1-CD2 4.06Å; V17-F249 HydrophobicContact CB-CE1 4.17Å; V17-F249 HydrophobicContact CG2-CE1 3.88Å; V17-T293 WeakPolarHBondContact O-CA 3.39Å; V17-V294 PolarHBondContact N-O 3.41Å; V17-V294 PolarHBondContact O-N 2.94Å
18A97.9Very high84.8Confident0 Ų031.6 Ų31.60%017%0.165CC..EExtended strand (participates in β ladder)trans-94.1125.817200000110.6A43 A48 Y50 R51 V52 V291 E292 T293A18-A43 HydrophobicContact CB-CB 3.37Å; A18-A48 HydrophobicContact CB-CB 3.6Å; A18-Y50 PolarHBondContact N-O 3.5Å; A18-R51 HydrophobicContact CB-CB 4.42Å; A18-V52 VanDerWaalsContact O-CG1 3.25Å; A18-V52 WeakPolarHBondContact O-CG1 3.27Å; A18-V52 PolarHBondContact O-N 2.67Å; A18-V291 HydrophobicContact CB-CG1 3.9Å; A18-E292 CarbonylContact C-O 3.59Å; A18-E292 WeakPolarHBondContact CA-O 3.32Å; A18-T293 HydrophobicContact CB-CG2 4.11Å
19L98Very high87.8Confident1 Ų124.5 Ų24.51%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-98113.6175.3-53.5-174.9000108.3V17 V52 A251 T253 A269 A271 F279 E292 V294V17-L19 HydrophobicContact CG1-CD2 4.18Å; L19-V52 HydrophobicContact CD2-CG1 3.62Å; L19-A251 HydrophobicContact CD1-CB 4.33Å; L19-A251 HydrophobicContact CD2-CB 3.45Å; L19-A251 VanDerWaalsContact CD2-CB 3.45Å; L19-T253 HydrophobicContact CB-CG2 3.82Å; L19-T253 HydrophobicContact CD2-CG2 3.99Å; L19-T253 HydrophobicContact CG-CG2 4.48Å; L19-A269 HydrophobicContact CB-CB 3.97Å; L19-A269 HydrophobicContact CD1-CB 4.41Å; L19-A271 HydrophobicContact CD1-CB 3.88Å; L19-F279 HydrophobicContact CD1-CD1 4Å; L19-F279 HydrophobicContact CD1-CE1 4.49Å; L19-E292 PolarHBondContact N-O 3.29Å; L19-E292 PolarHBondContact O-N 3.47Å; L19-E292 VanDerWaalsContact O-N 3.11Å; L19-V294 HydrophobicContact CD1-CG2 3.97Å; L19-V294 HydrophobicContact CG-CG2 4.47Å
20C98.4Very high90.5Very high0 Ų025.6 Ų25.60%014%0.141CC..EExtended strand (participates in β ladder)trans-103.5129.3-177.6-60.80000111.5L22 R51 V52 T253 S290C20-L22 HydrophobicContact CB-CD2 4.42Å; C20-R51 VanDerWaalsContact SG-CG 3.57Å; C20-V52 WeakPolarHBondContact CB-O 3.29Å; C20-V52 PolarHBondContact N-O 2.98Å; C20-V52 VanDerWaalsContact N-O 3.11Å; C20-T253 WeakPolarHBondContact O-CB 3.48Å; C20-S290 WeakPolarHBondContact CA-O 3.35Å
21V98.2Very high92.8Very high2 Ų222.3 Ų22.31%0.01212%0.121CC..EExtended strand (participates in β ladder)trans-111.7120.9169.61750000108.1N254 R256 A269 S290V21-N254 WeakPolarHBondContact CA-O 3.22Å; V21-R256 HydrophobicContact CG1-CB 3.48Å; V21-R256 VanDerWaalsContact CG1-CB 3.48Å; V21-R256 HydrophobicContact CG1-CG 4.42Å; V21-A269 HydrophobicContact CG2-CB 3.65Å; V21-S290 PolarHBondContact N-O 2.84Å; V21-S290 PolarHBondContact O-N 3.31Å
22L98.5Very high95Very high0 Ų020.8 Ų20.80%011%0.112CC..EExtended strand (participates in β ladder)trans-122.9138.1-172.7-55.6-174.2000111.8C20 Q24 V36 P54 E57 L255 R256 D288 V289C20-L22 HydrophobicContact CB-CD2 4.42Å; L22-Q24 HydrophobicContact CB-CG 3.96Å; L22-Q24 PolarHBondContact O-N 3.01Å; L22-V36 HydrophobicContact CD1-CG2 4.04Å; L22-P54 HydrophobicContact CB-CG 4.18Å; L22-P54 HydrophobicContact CG-CG 4.18Å; L22-E57 HydrophobicContact CD1-CB 4.43Å; L22-E57 WeakPolarHBondContact CD1-OE2 3.07Å; L22-L255 WeakPolarHBondContact O-CA 3.36Å; L22-R256 PolarHBondContact O-N 2.91Å; L22-D288 WeakPolarHBondContact CA-O 3.45Å; L22-V289 HydrophobicContact CD2-CB 4.29Å; L22-V289 HydrophobicContact CD2-CG1 3.93Å; L22-V289 HydrophobicContact CD2-CG2 4.13Å
23N97.8Very high96.5Very high0 Ų020.7 Ų20.70%011%0.111CC..  trans-9279.9170.9-165.8-19.6000110R35 R256 D288 D378 R381 R382N23-R35 VanDerWaalsContact O-CD 3.31Å; N23-R35 WeakPolarHBondContact O-CD 3.22Å; N23-R35 PolarHBondContact O-NE 2.99Å; N23-R35 VanDerWaalsContact O-NE 3.09Å; N23-R35 PolarHBondContact O-NH1 3.18Å; N23-R256 VanDerWaalsContact CA-O 3.23Å; N23-R256 WeakPolarHBondContact CA-O 3.44Å; N23-R256 WeakPolarHBondContact CB-O 3.5Å; N23-R256 VanDerWaalsContact CG-O 3.23Å; N23-R256 PolarHBondContact OD1-O 3.01Å; N23-D288 PolarHBondContact N-O 3.41Å; N23-D378 PolarHBondContact ND2-OD1 3.49Å; N23-D378 PolarHBondContact ND2-OD2 3.12Å; N23-R381 PolarHBondContact ND2-NH2 2.96Å; N23-R381 VanDerWaalsContact ND2-NH2 3.15Å; N23-R382 PolarHBondContact OD1-NH2 2.96Å
24Q98.5Very high97.2Very high1 Ų124.3 Ų24.31%0.00512%0.121CC..  trans-81.3161.6179.4-57.1-61.144.900112L22 N32 E57 S60 L255 D259 R382L22-Q24 HydrophobicContact CB-CG 3.96Å; L22-Q24 PolarHBondContact O-N 3.01Å; Q24-N32 WeakPolarHBondContact CA-OD1 2.97Å; Q24-N32 PolarHBondContact NE2-O 3.48Å; Q24-N32 PolarHBondContact OE1-OD1 3.29Å; Q24-E57 VanDerWaalsContact CD-O 3.31Å; Q24-E57 HydrophobicContact CG-CB 4.2Å; Q24-E57 WeakPolarHBondContact CG-O 3.37Å; Q24-E57 PolarHBondContact NE2-O 3.27Å; Q24-S60 WeakPolarHBondContact CB-OG 3.5Å; Q24-L255 HydrophobicContact CB-CD2 3.93Å; Q24-L255 HydrophobicContact CG-CD2 3.67Å; Q24-D259 WeakPolarHBondContact O-CB 3.49Å; Q24-R382 PolarHBondContact O-NH2 3.49Å
25W98.3Very high97.8Very high98 Ų9822.4 Ų22.437%0.37111%0.113SC..  trans-131.7128.9178.7-174.912.7000108.7L27 D28 N32 D259 R382W25-L27 PolarHBondContact O-N 3.14Å; W25-D28 HydrophobicContact CB-CB 3.71Å; W25-D28 HydrophobicContact CD2-CB 4.11Å; W25-D28 HydrophobicContact CE3-CB 3.9Å; W25-D28 HydrophobicContact CG-CB 4.06Å; W25-D28 WeakPolarHBondContact O-CB 3.42Å; W25-D28 PolarHBondContact O-N 3.34Å; W25-N32 PolarHBondContact N-OD1 3.05Å; W25-N32 PolarHBondContact O-ND2 3.19Å; W25-N32 PolarHBondContact O-OD1 2.98Å; W25-D259 VanDerWaalsContact CD1-O 3.22Å; W25-R382 HydrophobicContact CD2-CG 4.18Å; W25-R382 HydrophobicContact CE3-CG 4.26Å; W25-R382 VanDerWaalsContact CG-NH1 3.3Å; W25-R382 HydrophobicContact CH2-CB 4.02Å; W25-R382 HydrophobicContact CH2-CG 4.32Å; W25-R382 HydrophobicContact CZ2-CB 3.84Å; W25-R382 HydrophobicContact CZ2-CG 4.26Å; W25-R382 HydrophobicContact CZ3-CG 4.32Å
26A98.5Very high98.1Very high22 Ų2222.4 Ų22.418%0.18211%0.113CC..THydrogen-bonded Turntrans-50124.2179.600000111.3D28 S59 D259A26-D28 PolarHBondContact O-N 3.47Å; A26-D28 VanDerWaalsContact O-N 3.1Å; A26-S59 WeakPolarHBondContact CA-O 3.47Å; A26-D259 WeakPolarHBondContact CB-O 3.4Å; A26-D259 PolarHBondContact N-O 3.05Å
27L98.5Very high98.3Very high56 Ų5623.1 Ų23.129%0.29312%0.116SC..THydrogen-bonded Turntrans63.93.2179.8-48177.4000116.4W25 F29 S59 C63 H66 T72W25-L27 PolarHBondContact O-N 3.14Å; L27-F29 HydrophobicContact CB-CE2 4.24Å; L27-F29 HydrophobicContact CD2-CE2 4.06Å; L27-F29 HydrophobicContact CD2-CZ 4.05Å; L27-F29 WeakPolarHBondContact O-CD2 3.42Å; L27-F29 PolarHBondContact O-N 2.8Å; L27-S59 PolarHBondContact N-O 3.38Å; L27-C63 HydrophobicContact CD2-CB 4.36Å; L27-H66 HydrophobicContact CD1-CB 4.2Å; L27-H66 HydrophobicContact CD2-CB 4.15Å; L27-T72 HydrophobicContact CD2-CG2 4.48Å
28D98.5Very high98.4Very high40 Ų4027 Ų2721%0.21413%0.134CC..  trans-7560.9169.8179.220.9000110.2W25 A26 S30 G31 N32 R35W25-D28 HydrophobicContact CB-CB 3.71Å; W25-D28 HydrophobicContact CD2-CB 4.11Å; W25-D28 HydrophobicContact CE3-CB 3.9Å; W25-D28 HydrophobicContact CG-CB 4.06Å; W25-D28 WeakPolarHBondContact O-CB 3.42Å; W25-D28 PolarHBondContact O-N 3.34Å; A26-D28 PolarHBondContact O-N 3.47Å; A26-D28 VanDerWaalsContact O-N 3.1Å; D28-S30 PolarHBondContact O-N 2.9Å; D28-S30 VanDerWaalsContact O-N 3.11Å; D28-G31 PolarHBondContact O-N 3.13Å; D28-G31 VanDerWaalsContact O-N 3.14Å; D28-G31 WeakPolarHBondContact OD1-CA 3.49Å; D28-G31 PolarHBondContact OD1-N 3.34Å; D28-G31 WeakPolarHBondContact OD2-CA 3.18Å; D28-N32 VanDerWaalsContact O-CB 3.23Å; D28-N32 WeakPolarHBondContact O-CB 3.44Å; D28-N32 PolarHBondContact O-N 3.26Å; D28-N32 PolarHBondContact O-ND2 3.49Å; D28-N32 PolarHBondContact O-OD1 3.48Å; D28-R35 IonicContact OD2-CZ 3.86Å; D28-R35 IonicContact OD2-NH1 2.97Å; D28-R35 IonicContact OD2-NH2 3.9Å; D28-R35 PolarHBondContact OD2-NH2 3.33Å; D28-R35 VanDerWaalsContact OD2-NH2 3.16Å
29F98.8Very high98.4Very high29 Ų2927 Ų2713%0.12713%0.134CC..Hα-helixtrans-53.3-38.3-174.8-71.2-69.7000112.2L27 T33 I58 T72 H75L27-F29 HydrophobicContact CB-CE2 4.24Å; L27-F29 HydrophobicContact CD2-CE2 4.06Å; L27-F29 HydrophobicContact CD2-CZ 4.05Å; L27-F29 WeakPolarHBondContact O-CD2 3.42Å; L27-F29 PolarHBondContact O-N 2.8Å; F29-T33 WeakPolarHBondContact O-CB 3.38Å; F29-T33 PolarHBondContact O-N 2.8Å; F29-T33 PolarHBondContact O-OG1 3.03Å; F29-I58 HydrophobicContact CD1-CG2 4.21Å; F29-I58 HydrophobicContact CE1-CG2 4.47Å; F29-T72 HydrophobicContact CZ-CG2 4.38Å; F29-H75 HydrophobicContact CD1-CB 3.91Å; F29-H75 HydrophobicContact CD2-CB 3.66Å; F29-H75 HydrophobicContact CE1-CB 3.81Å; F29-H75 HydrophobicContact CE2-CB 3.55Å; F29-H75 AromaticContact CE2-CD2 3.85Å; F29-H75 HydrophobicContact CG-CB 3.86Å; F29-H75 HydrophobicContact CZ-CB 3.63Å
30S98.5Very high98.5Very high85 Ų8527 Ų2759%0.59413%0.134SC*.Hα-helixtrans-65.8-53.7177.2-178.60000112.1D28 T33 R34D28-S30 PolarHBondContact O-N 2.9Å; D28-S30 VanDerWaalsContact O-N 3.11Å; S30-T33 PolarHBondContact O-N 3.12Å; S30-R34 WeakPolarHBondContact O-CB 3.41Å; S30-R34 PolarHBondContact O-N 2.95Å
31G98.2Very high98.5Very high6 Ų628.6 Ų28.66%0.06214%0.141CC..Hα-helixtrans-66-42179.900000112.2D28 T33 R34 R35D28-G31 PolarHBondContact O-N 3.13Å; D28-G31 VanDerWaalsContact O-N 3.14Å; D28-G31 WeakPolarHBondContact OD1-CA 3.49Å; D28-G31 PolarHBondContact OD1-N 3.34Å; D28-G31 WeakPolarHBondContact OD2-CA 3.18Å; G31-T33 PolarHBondContact O-N 3.27Å; G31-R34 WeakPolarHBondContact O-CB 3.5Å; G31-R34 PolarHBondContact O-N 3.28Å; G31-R35 WeakPolarHBondContact O-CG 3.36Å; G31-R35 PolarHBondContact O-N 2.85Å
32N98.8Very high98.4Very high0 Ų030.2 Ų30.20%015%0.151CC..Hα-helixtrans-60.6-47.1177.3-66.8-10.5000111.3Q24 W25 D28 R34 R35 V36 I58Q24-N32 WeakPolarHBondContact CA-OD1 2.97Å; Q24-N32 PolarHBondContact NE2-O 3.48Å; Q24-N32 PolarHBondContact OE1-OD1 3.29Å; W25-N32 PolarHBondContact N-OD1 3.05Å; W25-N32 PolarHBondContact O-ND2 3.19Å; W25-N32 PolarHBondContact O-OD1 2.98Å; D28-N32 VanDerWaalsContact O-CB 3.23Å; D28-N32 WeakPolarHBondContact O-CB 3.44Å; D28-N32 PolarHBondContact O-N 3.26Å; D28-N32 PolarHBondContact O-ND2 3.49Å; D28-N32 PolarHBondContact O-OD1 3.48Å; N32-R34 VanDerWaalsContact C-N 3.35Å; N32-R34 PolarHBondContact O-N 3.22Å; N32-R35 PolarHBondContact O-N 3.35Å; N32-R35 PolarHBondContact OD1-NH1 3.43Å; N32-V36 WeakPolarHBondContact O-CG2 3.5Å; N32-V36 PolarHBondContact O-N 3.48Å; N32-I58 VanDerWaalsContact CB-O 3.29Å; N32-I58 WeakPolarHBondContact CB-O 3.42Å; N32-I58 PolarHBondContact ND2-O 3.23Å
33T98.9Very high98.4Very high2 Ų230.2 Ų30.21%0.01215%0.151CC..Hα-helixtrans-62.6-41.3176.9-58.50000111.8F29 S30 G31 V36 I37 C79 K82 I83F29-T33 WeakPolarHBondContact O-CB 3.38Å; F29-T33 PolarHBondContact O-N 2.8Å; F29-T33 PolarHBondContact O-OG1 3.03Å; S30-T33 PolarHBondContact O-N 3.12Å; G31-T33 PolarHBondContact O-N 3.27Å; T33-V36 PolarHBondContact O-N 3.32Å; T33-I37 HydrophobicContact CG2-CD1 3.83Å; T33-I37 HydrophobicContact CG2-CG1 4.44Å; T33-I37 WeakPolarHBondContact O-CG1 3.04Å; T33-I37 PolarHBondContact O-N 2.9Å; T33-C79 VanDerWaalsContact OG1-CB 3.32Å; T33-C79 WeakPolarHBondContact OG1-CB 3.38Å; T33-C79 PolarHBondContact OG1-SG 3.22Å; T33-K82 HydrophobicContact CG2-CD 4.13Å; T33-I83 HydrophobicContact CG2-CD1 4.18Å; T33-I83 HydrophobicContact CG2-CG1 3.89Å
34R98.3Very high98.3Very high119 Ų11932.9 Ų32.945%0.44916%0.163SC..Hα-helixtrans-59.8-46.9175.8178-174.358.477.8-0.6111.3S30 G31 N32 V36 I37 E38 D288S30-R34 WeakPolarHBondContact O-CB 3.41Å; S30-R34 PolarHBondContact O-N 2.95Å; G31-R34 WeakPolarHBondContact O-CB 3.5Å; G31-R34 PolarHBondContact O-N 3.28Å; N32-R34 VanDerWaalsContact C-N 3.35Å; N32-R34 PolarHBondContact O-N 3.22Å; R34-V36 VanDerWaalsContact C-N 3.33Å; R34-V36 PolarHBondContact O-N 3.49Å; R34-I37 PolarHBondContact O-N 2.86Å; R34-E38 IonicContact NH1-OE2 2.75Å; R34-E38 WeakPolarHBondContact O-CB 3.31Å; R34-E38 PolarHBondContact O-N 3.41Å; R34-D288 IonicContact NH2-OD2 2.7Å
35R98.5Very high98.2Very high8 Ų839.6 Ų39.63%0.0319%0.188CC..Hα-helixtrans-63.1-38.3178.2-68.3-175.8-14797.82111.6N23 D28 G31 N32 S39 D288 V289N23-R35 VanDerWaalsContact O-CD 3.31Å; N23-R35 WeakPolarHBondContact O-CD 3.22Å; N23-R35 PolarHBondContact O-NE 2.99Å; N23-R35 VanDerWaalsContact O-NE 3.09Å; N23-R35 PolarHBondContact O-NH1 3.18Å; D28-R35 IonicContact OD2-CZ 3.86Å; D28-R35 IonicContact OD2-NH1 2.97Å; D28-R35 IonicContact OD2-NH2 3.9Å; D28-R35 PolarHBondContact OD2-NH2 3.33Å; D28-R35 VanDerWaalsContact OD2-NH2 3.16Å; G31-R35 WeakPolarHBondContact O-CG 3.36Å; G31-R35 PolarHBondContact O-N 2.85Å; N32-R35 PolarHBondContact O-N 3.35Å; N32-R35 PolarHBondContact OD1-NH1 3.43Å; R35-S39 WeakPolarHBondContact O-CB 3.3Å; R35-S39 PolarHBondContact O-N 2.86Å; R35-S39 PolarHBondContact O-OG 3Å; R35-D288 HydrophobicContact CG-CB 4.41Å; R35-D288 IonicContact CZ-OD2 2.79Å; R35-D288 IonicContact NE-OD2 3Å; R35-D288 PolarHBondContact NE-OD2 3.34Å; R35-D288 IonicContact NH2-OD2 3.9Å; R35-V289 HydrophobicContact CB-CG2 3.79Å; R35-V289 HydrophobicContact CG-CG2 3.91Å
36V98.8Very high98Very high0 Ų038.2 Ų38.20%019%0.188CC..Hα-helixtrans-61.5-52.5173171.70000111L22 N32 T33 R34 E38 S39 V40 E57 I58 I83 I100L22-V36 HydrophobicContact CD1-CG2 4.04Å; N32-V36 WeakPolarHBondContact O-CG2 3.5Å; N32-V36 PolarHBondContact O-N 3.48Å; T33-V36 PolarHBondContact O-N 3.32Å; R34-V36 VanDerWaalsContact C-N 3.33Å; R34-V36 PolarHBondContact O-N 3.49Å; V36-E38 VanDerWaalsContact C-N 3.34Å; V36-E38 PolarHBondContact O-N 2.77Å; V36-S39 PolarHBondContact O-N 3.29Å; V36-S39 VanDerWaalsContact O-N 3.12Å; V36-S39 PolarHBondContact O-OG 2.91Å; V36-V40 WeakPolarHBondContact O-CG2 3.1Å; V36-V40 PolarHBondContact O-N 2.85Å; V36-E57 HydrophobicContact CG2-CG 4.04Å; V36-I58 HydrophobicContact CG2-CD1 4.23Å; V36-I83 HydrophobicContact CB-CD1 4.44Å; V36-I83 HydrophobicContact CG1-CD1 3.84Å; V36-I100 HydrophobicContact CG1-CD1 4.09Å; V36-I100 HydrophobicContact CG1-CG1 4.16Å
37I98.7Very high97.8Very high15 Ų1537.7 Ų37.78%0.07718%0.184CC..Hα-helixtrans-57.4-46.7178.9-70.6165.1000111.3T33 R34 S39 V40 K41 I83 E86 M93T33-I37 HydrophobicContact CG2-CD1 3.83Å; T33-I37 HydrophobicContact CG2-CG1 4.44Å; T33-I37 WeakPolarHBondContact O-CG1 3.04Å; T33-I37 PolarHBondContact O-N 2.9Å; R34-I37 PolarHBondContact O-N 2.86Å; I37-S39 VanDerWaalsContact C-N 3.29Å; I37-S39 PolarHBondContact O-N 3.42Å; I37-V40 PolarHBondContact O-N 2.81Å; I37-K41 HydrophobicContact CG2-CD 4.03Å; I37-K41 WeakPolarHBondContact O-CG 3.42Å; I37-K41 PolarHBondContact O-N 3.24Å; I37-I83 HydrophobicContact CD1-CG1 4.43Å; I37-I83 HydrophobicContact CG1-CG1 4.11Å; I37-E86 HydrophobicContact CD1-CG 4.01Å; I37-M93 HydrophobicContact CG1-CE 4.31Å; I37-M93 HydrophobicContact CG2-CE 4.49Å; I37-M93 HydrophobicContact CG2-SD 3.9Å
38E98.1Very high97.6Very high83 Ų8335 Ų3539%0.38817%0.17SC..Hα-helixtrans-59.2-41.3177.2-177.6179.4169.400111.8R34 V36 T42 V289R34-E38 IonicContact NH1-OE2 2.75Å; R34-E38 WeakPolarHBondContact O-CB 3.31Å; R34-E38 PolarHBondContact O-N 3.41Å; V36-E38 VanDerWaalsContact C-N 3.34Å; V36-E38 PolarHBondContact O-N 2.77Å; E38-T42 WeakPolarHBondContact O-CB 3.23Å; E38-T42 PolarHBondContact O-N 2.89Å; E38-T42 PolarHBondContact O-OG1 2.87Å; E38-V289 HydrophobicContact CB-CG2 4.39Å; E38-V289 HydrophobicContact CG-CG1 4.45Å; E38-V289 HydrophobicContact CG-CG2 4.31Å
39S98.6Very high97.5Very high0 Ų035 Ų350%017%0.168CC..Hα-helixtrans-66.6-37.9178.1780000112.7R35 V36 I37 A43 R51R35-S39 WeakPolarHBondContact O-CB 3.3Å; R35-S39 PolarHBondContact O-N 2.86Å; R35-S39 PolarHBondContact O-OG 3Å; V36-S39 PolarHBondContact O-N 3.29Å; V36-S39 VanDerWaalsContact O-N 3.12Å; V36-S39 PolarHBondContact O-OG 2.91Å; I37-S39 VanDerWaalsContact C-N 3.29Å; I37-S39 PolarHBondContact O-N 3.42Å; S39-A43 VanDerWaalsContact O-CB 3.24Å; S39-A43 WeakPolarHBondContact O-CB 3.31Å; S39-A43 PolarHBondContact O-N 3.49Å; S39-R51 PolarHBondContact OG-NE 3.46Å; S39-R51 PolarHBondContact OG-NH2 3Å
40V98.7Very high97.5Very high0 Ų033.7 Ų33.70%016%0.162CC..Hα-helixtrans-66.7-48.5176.3175.70000110.7V36 I37 T42 A43 K44 R51 M93 I96 C98V36-V40 WeakPolarHBondContact O-CG2 3.1Å; V36-V40 PolarHBondContact O-N 2.85Å; I37-V40 PolarHBondContact O-N 2.81Å; V40-T42 VanDerWaalsContact C-N 3.29Å; V40-T42 PolarHBondContact O-N 3.46Å; V40-A43 WeakPolarHBondContact O-CB 3.29Å; V40-A43 PolarHBondContact O-N 3.31Å; V40-K44 PolarHBondContact O-N 3.01Å; V40-R51 HydrophobicContact CG2-CG 4.3Å; V40-M93 HydrophobicContact CB-CE 3.92Å; V40-M93 HydrophobicContact CB-CG 4.49Å; V40-M93 HydrophobicContact CG1-CB 4.19Å; V40-M93 HydrophobicContact CG1-CE 3.78Å; V40-M93 HydrophobicContact CG1-CG 3.85Å; V40-M93 HydrophobicContact CG2-CE 4.28Å; V40-I96 HydrophobicContact CG1-CG2 3.91Å; V40-C98 VanDerWaalsContact CG1-SG 3.58Å; V40-C98 HydrophobicContact CG2-CB 4.45Å
41K98.4Very high97.5Very high35 Ų3529.6 Ų29.615%0.15213%0.134CC..Hα-helixtrans-59.4-42.2178.1-68.5178.6-178.9173.40111I37 K44 R45 E86 N90 E92 M93I37-K41 HydrophobicContact CG2-CD 4.03Å; I37-K41 WeakPolarHBondContact O-CG 3.42Å; I37-K41 PolarHBondContact O-N 3.24Å; K41-K44 PolarHBondContact O-N 3.23Å; K41-R45 WeakPolarHBondContact O-CG 3.41Å; K41-R45 PolarHBondContact O-N 3.19Å; K41-E86 IonicContact NZ-OE2 3.74Å; K41-E86 PolarHBondContact NZ-OE2 3.15Å; K41-N90 VanDerWaalsContact CE-ND2 3.26Å; K41-N90 WeakPolarHBondContact CE-ND2 3.47Å; K41-N90 PolarHBondContact NZ-ND2 2.85Å; K41-N90 VanDerWaalsContact NZ-ND2 3.2Å; K41-E92 HydrophobicContact CB-CB 4.38Å; K41-E92 HydrophobicContact CG-CB 4.08Å; K41-M93 VanDerWaalsContact CE-SD 3.58Å; K41-M93 HydrophobicContact CG-CG 3.71Å; K41-M93 HydrophobicContact CG-SD 4.14Å
42T97.4Very high97.5Very high36 Ų3629.4 Ų29.422%0.22113%0.131CC..Hα-helixtrans-66.8-45177-56.70000111.9E38 V40 K44 R45 L46 V291E38-T42 WeakPolarHBondContact O-CB 3.23Å; E38-T42 PolarHBondContact O-N 2.89Å; E38-T42 PolarHBondContact O-OG1 2.87Å; V40-T42 VanDerWaalsContact C-N 3.29Å; V40-T42 PolarHBondContact O-N 3.46Å; T42-K44 VanDerWaalsContact C-N 3.3Å; T42-K44 PolarHBondContact O-N 3.47Å; T42-R45 PolarHBondContact O-N 3.47Å; T42-R45 PolarHBondContact OG1-NH2 3Å; T42-L46 HydrophobicContact CG2-CD1 4.07Å; T42-L46 HydrophobicContact CG2-CG 4.47Å; T42-L46 WeakPolarHBondContact O-CG 3.44Å; T42-L46 PolarHBondContact O-N 3.05Å; T42-V291 HydrophobicContact CG2-CB 3.94Å; T42-V291 HydrophobicContact CG2-CG1 4.41Å; T42-V291 HydrophobicContact CG2-CG2 4.14Å
43A97.9Very high97.5Very high0 Ų029.4 Ų29.40%013%0.131CC..Hα-helixtrans-56.5-44.9175.600000111.8A18 S39 V40 L46 G47 A48 R51 I96 V291A18-A43 HydrophobicContact CB-CB 3.37Å; S39-A43 VanDerWaalsContact O-CB 3.24Å; S39-A43 WeakPolarHBondContact O-CB 3.31Å; S39-A43 PolarHBondContact O-N 3.49Å; V40-A43 WeakPolarHBondContact O-CB 3.29Å; V40-A43 PolarHBondContact O-N 3.31Å; A43-L46 CarbonylContact O-C 3.52Å; A43-L46 PolarHBondContact O-N 2.73Å; A43-G47 PolarHBondContact O-N 3.08Å; A43-A48 HydrophobicContact CB-CB 4.25Å; A43-A48 WeakPolarHBondContact O-CB 3.3Å; A43-A48 PolarHBondContact O-N 2.98Å; A43-R51 HydrophobicContact CB-CB 4.08Å; A43-R51 HydrophobicContact CB-CG 4.13Å; A43-I96 HydrophobicContact CB-CD1 3.76Å; A43-V291 HydrophobicContact CB-CG1 3.93Å
44K96.1Very high97.5Very high56 Ų5629.3 Ų29.324%0.24313%0.131CC..Hα-helixtrans-62.7-46.3177.6-175.568.8179.7-1680112.1V40 K41 T42 L46 G47 E92 Q94 D95 I96V40-K44 PolarHBondContact O-N 3.01Å; K41-K44 PolarHBondContact O-N 3.23Å; T42-K44 VanDerWaalsContact C-N 3.3Å; T42-K44 PolarHBondContact O-N 3.47Å; K44-L46 VanDerWaalsContact C-N 3.25Å; K44-L46 PolarHBondContact O-N 3.28Å; K44-G47 WeakPolarHBondContact O-CA 3.34Å; K44-G47 PolarHBondContact O-N 3.47Å; K44-E92 WeakPolarHBondContact CB-O 3.34Å; K44-E92 VanDerWaalsContact CG-O 3.29Å; K44-E92 WeakPolarHBondContact CG-O 3.4Å; K44-Q94 WeakPolarHBondContact CE-O 3.49Å; K44-Q94 PolarHBondContact NZ-O 3.14Å; K44-D95 PolarHBondContact NZ-O 3.07Å; K44-I96 HydrophobicContact CB-CD1 4.26Å; K44-I96 HydrophobicContact CD-CB 4.17Å; K44-I96 HydrophobicContact CD-CG2 4.32Å
45R96Very high97.5Very high142 Ų14223.7 Ų23.754%0.53611%0.11SC..Hα-helixtrans-60.4-34.8176.4-75.8-171.1-65.7-97.10.8112.7K41 T42 G47 E92K41-R45 WeakPolarHBondContact O-CG 3.41Å; K41-R45 PolarHBondContact O-N 3.19Å; T42-R45 PolarHBondContact O-N 3.47Å; T42-R45 PolarHBondContact OG1-NH2 3Å; R45-G47 PolarHBondContact O-N 3.05Å; R45-E92 WeakPolarHBondContact CD-OE1 3.36Å; R45-E92 IonicContact CZ-OE1 3.61Å; R45-E92 IonicContact NH1-OE1 3.89Å; R45-E92 PolarHBondContact NH1-OE1 2.91Å; R45-E92 IonicContact NH1-OE2 3.8Å; R45-E92 PolarHBondContact NH1-OE2 2.78Å
46L94.6Very high97.5Very high69 Ų6923.3 Ų23.336%0.36111%0.108SC..THydrogen-bonded Turntrans-77.12.4174.1-65.4174.7000113.5T42 A43 K44 V291 T293T42-L46 HydrophobicContact CG2-CD1 4.07Å; T42-L46 HydrophobicContact CG2-CG 4.47Å; T42-L46 WeakPolarHBondContact O-CG 3.44Å; T42-L46 PolarHBondContact O-N 3.05Å; A43-L46 CarbonylContact O-C 3.52Å; A43-L46 PolarHBondContact O-N 2.73Å; K44-L46 VanDerWaalsContact C-N 3.25Å; K44-L46 PolarHBondContact O-N 3.28Å; L46-V291 HydrophobicContact CD1-CG1 4.22Å; L46-T293 HydrophobicContact CB-CG2 3.61Å; L46-T293 HydrophobicContact CD1-CG2 4.1Å
47G92.9Very high97.5Very high10 Ų1023.3 Ų23.310%0.10311%0.108CC..THydrogen-bonded Turntrans83.610.8176.400000114.8A43 K44 R45 H344A43-G47 PolarHBondContact O-N 3.08Å; K44-G47 WeakPolarHBondContact O-CA 3.34Å; K44-G47 PolarHBondContact O-N 3.47Å; R45-G47 PolarHBondContact O-N 3.05Å; G47-H344 PolarHBondContact O-CE1 3.45Å
48A95.4Very high97.5Very high1 Ų122.6 Ų22.61%0.00811%0.105CC..  trans-71.2143.3175.200000111.6T16 A18 A43 I96 T293T16-A48 HydrophobicContact CG2-CB 4.18Å; A18-A48 HydrophobicContact CB-CB 3.6Å; A43-A48 HydrophobicContact CB-CB 4.25Å; A43-A48 WeakPolarHBondContact O-CB 3.3Å; A43-A48 PolarHBondContact O-N 2.98Å; A48-I96 WeakPolarHBondContact O-CD1 3.22Å; A48-T293 HydrophobicContact CB-CG2 3.99Å
49K95.8Very high97.5Very high39 Ų3918.6 Ų18.617%0.179%0.086CC..SBendtrans-106.3-5.2171.8-72.7-173.1170.6-170.90113.1T16 I96 V97 F340 N341 L342 C343T16-K49 PolarHBondContact O-N 2.69Å; T16-K49 VanDerWaalsContact O-N 3.09Å; K49-I96 WeakPolarHBondContact O-CA 3.44Å; K49-V97 PolarHBondContact O-N 2.96Å; K49-F340 HydrophobicContact CB-CE1 4.21Å; K49-F340 HydrophobicContact CB-CZ 4.42Å; K49-F340 HydrophobicContact CD-CE1 4.44Å; K49-F340 HydrophobicContact CD-CZ 4.25Å; K49-F340 HydrophobicContact CG-CZ 4.45Å; K49-N341 WeakPolarHBondContact CD-O 3.12Å; K49-N341 PolarHBondContact NZ-O 3.04Å; K49-L342 HydrophobicContact CB-CD2 3.95Å; K49-L342 WeakPolarHBondContact CD-O 3.49Å; K49-C343 PolarHBondContact NZ-O 2.81Å
50Y98.2Very high97.5Very high1 Ų118.6 Ų18.60%0.0049%0.086CC..EExtended strand (participates in β ladder)trans-137.8128.1173-162.8-66.7000108.9V17 A18 V52 V97 D99 L116 F181 I192 L194 L219 L342V17-Y50 CarbonylContact C-O 3.58Å; V17-Y50 WeakPolarHBondContact CA-O 3.16Å; V17-Y50 HydrophobicContact CG1-CD1 4.24Å; A18-Y50 PolarHBondContact N-O 3.5Å; Y50-V52 HydrophobicContact CE1-CB 4.25Å; Y50-V97 HydrophobicContact CD2-CB 3.64Å; Y50-V97 HydrophobicContact CD2-CG1 3.8Å; Y50-V97 HydrophobicContact CD2-CG2 4.04Å; Y50-V97 HydrophobicContact CE2-CB 3.97Å; Y50-V97 HydrophobicContact CE2-CG1 3.55Å; Y50-V97 HydrophobicContact CE2-CG2 4.48Å; Y50-V97 HydrophobicContact CG-CB 4.05Å; Y50-V97 HydrophobicContact CG-CG1 4.43Å; Y50-D99 HydrophobicContact CE1-CB 3.64Å; Y50-D99 PolarHBondContact OH-OD2 2.92Å; Y50-L116 WeakPolarHBondContact OH-CD2 3.1Å; Y50-F181 HydrophobicContact CD2-CZ 4.37Å; Y50-F181 HydrophobicContact CE2-CE2 4.41Å; Y50-F181 HydrophobicContact CE2-CZ 4.15Å; Y50-I192 HydrophobicContact CE2-CG2 4.3Å; Y50-L194 WeakPolarHBondContact OH-CD2 3.47Å; Y50-L219 HydrophobicContact CD1-CD1 3.51Å; Y50-L219 HydrophobicContact CD2-CD1 4.4Å; Y50-L219 HydrophobicContact CE1-CD1 3.17Å; Y50-L219 HydrophobicContact CE2-CD1 4.09Å; Y50-L219 HydrophobicContact CG-CD1 4.14Å; Y50-L219 VanDerWaalsContact CZ-CD1 3.49Å; Y50-L342 HydrophobicContact CD2-CD2 4.33Å
51R98.5Very high97.5Very high0 Ų019.5 Ų19.50%09%0.09CC..EExtended strand (participates in β ladder)trans-113.9124.9174.1174.2-86.8-172.1-169.7-2.2108.9A18 C20 S39 V40 A43 E57 I96 V97 D99A18-R51 HydrophobicContact CB-CB 4.42Å; C20-R51 VanDerWaalsContact SG-CG 3.57Å; S39-R51 PolarHBondContact OG-NE 3.46Å; S39-R51 PolarHBondContact OG-NH2 3Å; V40-R51 HydrophobicContact CG2-CG 4.3Å; A43-R51 HydrophobicContact CB-CB 4.08Å; A43-R51 HydrophobicContact CB-CG 4.13Å; R51-E57 IonicContact CZ-OE1 3.44Å; R51-E57 IonicContact CZ-OE2 3.13Å; R51-E57 IonicContact NH1-OE1 3.29Å; R51-E57 PolarHBondContact NH1-OE1 3.16Å; R51-E57 IonicContact NH1-OE2 3.55Å; R51-E57 PolarHBondContact NH1-OE2 3.33Å; R51-E57 IonicContact NH2-OE1 2.7Å; R51-E57 PolarHBondContact NH2-OE1 3.21Å; R51-E57 IonicContact NH2-OE2 3.58Å; R51-E57 PolarHBondContact NH2-OE2 3.47Å; R51-I96 HydrophobicContact CB-CD1 3.99Å; R51-I96 HydrophobicContact CB-CG1 4.36Å; R51-V97 PolarHBondContact N-O 2.87Å; R51-D99 PolarHBondContact NH1-O 2.82Å; R51-D99 WeakPolarHBondContact O-CB 3.22Å; R51-D99 PolarHBondContact O-N 3.04Å
52V98.7Very high97.4Very high1 Ų118.3 Ų18.31%0.0069%0.088CC..EExtended strand (participates in β ladder)trans-109.3123.6173.350.30000110.6V17 A18 L19 C20 Y50 R114 L219 T253V17-V52 HydrophobicContact CG1-CG1 4.06Å; A18-V52 VanDerWaalsContact O-CG1 3.25Å; A18-V52 WeakPolarHBondContact O-CG1 3.27Å; A18-V52 PolarHBondContact O-N 2.67Å; L19-V52 HydrophobicContact CD2-CG1 3.62Å; C20-V52 WeakPolarHBondContact CB-O 3.29Å; C20-V52 PolarHBondContact N-O 2.98Å; C20-V52 VanDerWaalsContact N-O 3.11Å; Y50-V52 HydrophobicContact CE1-CB 4.25Å; V52-R114 VanDerWaalsContact CG2-NH2 3.34Å; V52-L219 HydrophobicContact CG2-CB 4.48Å; V52-T253 HydrophobicContact CB-CG2 4.36Å; V52-T253 HydrophobicContact CG1-CG2 3.63Å; V52-T253 HydrophobicContact CG2-CG2 4.1Å
53G98.7Very high97.4Very high0 Ų016.7 Ų16.70%08%0.078CC..PPolyproline II helixtrans-94.7171.517500000113.4E57 D99 S221 T253G53-E57 WeakPolarHBondContact CA-OE2 3.22Å; G53-D99 PolarHBondContact N-O 2.52Å; G53-S221 WeakPolarHBondContact O-CB 3.46Å; G53-S221 PolarHBondContact O-OG 3.34Å; G53-T253 PolarHBondContact O-OG1 3.2Å
54P98.5Very high97.3Very high0 Ų019.9 Ų19.90%09%0.093CC..PPolyproline II helixtrans-70.9168.2172.6-22.337.5000114.1L22 E57 S221 N254 L255L22-P54 HydrophobicContact CB-CG 4.18Å; L22-P54 HydrophobicContact CG-CG 4.18Å; P54-E57 HydrophobicContact CB-CB 4.48Å; P54-E57 WeakPolarHBondContact CD-OE2 3.13Å; P54-E57 WeakPolarHBondContact O-CB 3.31Å; P54-S221 WeakPolarHBondContact CA-OG 3.24Å; P54-S221 PolarHBondContact O-OG 3.35Å; P54-N254 WeakPolarHBondContact CG-O 3.25Å; P54-L255 HydrophobicContact CB-CD2 3.57Å; P54-L255 HydrophobicContact CB-CG 3.76Å; P54-L255 HydrophobicContact CG-CD2 4.02Å
55E98.7Very high97.4Very high1 Ų120.5 Ų20.51%0.00510%0.098CC..THydrogen-bonded Turntrans-66.8136.6-179.4177.2174.7-156.700110.9E57 Y61 N112 K128 T196 C197 S221 S222 A223E55-E57 PolarHBondContact O-N 3.5Å; E55-Y61 HydrophobicContact CG-CD2 4.19Å; E55-N112 PolarHBondContact OE1-ND2 2.85Å; E55-K128 WeakPolarHBondContact OE1-CD 3.45Å; E55-K128 WeakPolarHBondContact OE1-CE 3.43Å; E55-K128 IonicContact OE1-NZ 3.81Å; E55-K128 PolarHBondContact OE1-NZ 2.9Å; E55-K128 IonicContact OE2-NZ 3.02Å; E55-T196 HydrophobicContact CB-CG2 4.47Å; E55-T196 HydrophobicContact CG-CG2 3.95Å; E55-T196 WeakPolarHBondContact OE1-CG2 3.46Å; E55-C197 WeakPolarHBondContact OE2-CB 3.36Å; E55-S221 WeakPolarHBondContact CA-OG 3.43Å; E55-S221 PolarHBondContact N-OG 3.05Å; E55-S222 VanDerWaalsContact CB-C 3.45Å; E55-S222 PolarHBondContact N-O 3.3Å; E55-S222 VanDerWaalsContact N-O 3.16Å; E55-A223 HydrophobicContact CB-CB 3.99Å; E55-A223 HydrophobicContact CG-CB 4.45Å; E55-A223 PolarHBondContact OE2-N 3.48Å
56L98.7Very high97.5Very high0 Ų017.3 Ų17.30%09%0.089CC..THydrogen-bonded Turntrans50.827.1-179.4-64.4174.3000114.5I58 S59 S60 Y61 F67 G101 M102 P103 N112 F143L56-I58 PolarHBondContact O-N 2.72Å; L56-S59 PolarHBondContact O-N 3.1Å; L56-S59 PolarHBondContact O-OG 2.89Å; L56-S60 CarbonylContact O-C 3.55Å; L56-S60 VanDerWaalsContact O-C 3.26Å; L56-S60 WeakPolarHBondContact O-CA 3.5Å; L56-S60 PolarHBondContact O-N 2.99Å; L56-Y61 HydrophobicContact CD1-CD2 4.04Å; L56-F67 HydrophobicContact CD1-CE1 4.47Å; L56-F67 HydrophobicContact CD1-CE2 4.3Å; L56-F67 HydrophobicContact CD1-CZ 3.77Å; L56-G101 CarbonylContact C-O 3.58Å; L56-G101 VanDerWaalsContact C-O 3.29Å; L56-M102 VanDerWaalsContact CD2-C 3.44Å; L56-P103 HydrophobicContact CD2-CB 4.41Å; L56-N112 HydrophobicContact CD2-CB 4.29Å; L56-N112 WeakPolarHBondContact CD2-OD1 3.45Å; L56-F143 HydrophobicContact CD1-CE2 4Å; L56-F143 HydrophobicContact CD1-CZ 4.05Å; L56-F143 HydrophobicContact CD2-CZ 4.5Å
57E98.6Very high97.7Very high0 Ų014.1 Ų14.10%07%0.073CC..THydrogen-bonded Turntrans-58.1-20.8-171.163.9174.6-179.700115.8L22 Q24 V36 R51 G53 P54 E55 I100 G101L22-E57 HydrophobicContact CD1-CB 4.43Å; L22-E57 WeakPolarHBondContact CD1-OE2 3.07Å; Q24-E57 VanDerWaalsContact CD-O 3.31Å; Q24-E57 HydrophobicContact CG-CB 4.2Å; Q24-E57 WeakPolarHBondContact CG-O 3.37Å; Q24-E57 PolarHBondContact NE2-O 3.27Å; V36-E57 HydrophobicContact CG2-CG 4.04Å; R51-E57 IonicContact CZ-OE1 3.44Å; R51-E57 IonicContact CZ-OE2 3.13Å; R51-E57 IonicContact NH1-OE1 3.29Å; R51-E57 PolarHBondContact NH1-OE1 3.16Å; R51-E57 IonicContact NH1-OE2 3.55Å; R51-E57 PolarHBondContact NH1-OE2 3.33Å; R51-E57 IonicContact NH2-OE1 2.7Å; R51-E57 PolarHBondContact NH2-OE1 3.21Å; R51-E57 IonicContact NH2-OE2 3.58Å; R51-E57 PolarHBondContact NH2-OE2 3.47Å; G53-E57 WeakPolarHBondContact CA-OE2 3.22Å; P54-E57 HydrophobicContact CB-CB 4.48Å; P54-E57 WeakPolarHBondContact CD-OE2 3.13Å; P54-E57 WeakPolarHBondContact O-CB 3.31Å; E55-E57 PolarHBondContact O-N 3.5Å; E57-I100 HydrophobicContact CG-CG2 4.22Å; E57-I100 VanDerWaalsContact OE1-CA 3.22Å; E57-I100 WeakPolarHBondContact OE1-CA 3.36Å; E57-I100 WeakPolarHBondContact OE1-CB 3.43Å; E57-I100 WeakPolarHBondContact OE1-CG1 3.45Å; E57-I100 WeakPolarHBondContact OE1-CG2 3.4Å; E57-G101 PolarHBondContact N-O 2.98Å; E57-G101 VanDerWaalsContact N-O 3.13Å
58I98.8Very high97.9Very high0 Ų018.8 Ų18.80%09%0.092CC..THydrogen-bonded Turntrans-72.4-49.3177.3-67.1-64.9000111.5F29 N32 V36 L56 C79 I83 I100 G101 M102F29-I58 HydrophobicContact CD1-CG2 4.21Å; F29-I58 HydrophobicContact CE1-CG2 4.47Å; N32-I58 VanDerWaalsContact CB-O 3.29Å; N32-I58 WeakPolarHBondContact CB-O 3.42Å; N32-I58 PolarHBondContact ND2-O 3.23Å; V36-I58 HydrophobicContact CG2-CD1 4.23Å; L56-I58 PolarHBondContact O-N 2.72Å; I58-C79 HydrophobicContact CD1-CB 4.24Å; I58-C79 HydrophobicContact CG2-CB 3.68Å; I58-I83 HydrophobicContact CD1-CD1 3.79Å; I58-I100 HydrophobicContact CD1-CG2 3.77Å; I58-I100 HydrophobicContact CG1-CG2 3.46Å; I58-I100 VanDerWaalsContact CG1-CG2 3.46Å; I58-G101 WeakPolarHBondContact CG1-O 3.22Å; I58-G101 PolarHBondContact N-O 3.48Å; I58-M102 HydrophobicContact CB-CB 4.01Å; I58-M102 HydrophobicContact CG1-CB 4.2Å
59S98.5Very high98.1Very high0 Ų023 Ų230%011%0.111CC..THydrogen-bonded Turntrans-82.9-19.817654.60000112.3A26 L27 L56 C63A26-S59 WeakPolarHBondContact CA-O 3.47Å; L27-S59 PolarHBondContact N-O 3.38Å; L56-S59 PolarHBondContact O-N 3.1Å; L56-S59 PolarHBondContact O-OG 2.89Å; S59-C63 PolarHBondContact O-SG 2.85Å
60S98.3Very high98.2Very high0 Ų026.4 Ų26.40%013%0.131CC..  trans68.4165-149.8-151.70000112.8Q24 L56 D259Q24-S60 WeakPolarHBondContact CB-OG 3.5Å; L56-S60 CarbonylContact O-C 3.55Å; L56-S60 VanDerWaalsContact O-C 3.26Å; L56-S60 WeakPolarHBondContact O-CA 3.5Å; L56-S60 PolarHBondContact O-N 2.99Å; S60-D259 VanDerWaalsContact OG-CB 3.23Å; S60-D259 WeakPolarHBondContact OG-CB 3.17Å; S60-D259 PolarHBondContact OG-OD2 2.67Å
61Y98.3Very high98.2Very high18 Ų1831 Ų317%0.07116%0.156CC..SBendtrans-75.4-45.6-177.8-178.3-92.4000112.8E55 L56 C63 F67 H137 E139 A223 D259 Y265E55-Y61 HydrophobicContact CG-CD2 4.19Å; L56-Y61 HydrophobicContact CD1-CD2 4.04Å; Y61-C63 PolarHBondContact O-N 2.92Å; Y61-F67 VanDerWaalsContact O-CE2 3.32Å; Y61-F67 WeakPolarHBondContact O-CE2 3.46Å; Y61-H137 AromaticContact CE1-ND1 3.85Å; Y61-H137 AromaticContact CZ-ND1 3.63Å; Y61-H137 PolarHBondContact OH-ND1 3.3Å; Y61-E139 WeakPolarHBondContact CE2-OE1 3.26Å; Y61-E139 WeakPolarHBondContact OH-CG 3.37Å; Y61-E139 PolarHBondContact OH-OE1 3.37Å; Y61-A223 HydrophobicContact CD1-CB 4.22Å; Y61-A223 HydrophobicContact CD2-CB 3.29Å; Y61-A223 HydrophobicContact CE2-CB 3.95Å; Y61-A223 HydrophobicContact CG-CB 3.44Å; Y61-A223 VanDerWaalsContact CG-CB 3.44Å; Y61-D259 PolarHBondContact N-OD2 3.07Å; Y61-Y265 HydrophobicContact CD1-CE1 4.38Å; Y61-Y265 VanDerWaalsContact CD1-OH 3.25Å; Y61-Y265 WeakPolarHBondContact CD1-OH 3.14Å
62G96.5Very high98.2Very high11 Ų1131.1 Ų31.111%0.11316%0.156CC..THydrogen-bonded Turntrans-81.739.5-171.200000115.2E64 D259 S260G62-E64 VanDerWaalsContact C-N 3.27Å; G62-D259 WeakPolarHBondContact CA-OD2 3.4Å; G62-D259 PolarHBondContact N-OD2 2.85Å; G62-S260 WeakPolarHBondContact CA-OG 3.24Å; G62-S260 WeakPolarHBondContact O-CB 3.09Å; G62-S260 PolarHBondContact O-OG 2.92Å
63C97.8Very high98.2Very high2 Ų231.7 Ų31.71%0.01416%0.158CC..THydrogen-bonded Turntrans-75.9-15.6174.7-67.30000113.3L27 S59 Y61 D65 H66 F67L27-C63 HydrophobicContact CD2-CB 4.36Å; S59-C63 PolarHBondContact O-SG 2.85Å; Y61-C63 PolarHBondContact O-N 2.92Å; C63-D65 PolarHBondContact O-N 2.85Å; C63-H66 HydrophobicContact CB-CB 4.15Å; C63-H66 VanDerWaalsContact O-CB 3.31Å; C63-H66 WeakPolarHBondContact O-CB 3.23Å; C63-H66 PolarHBondContact O-CD2 2.86Å; C63-H66 PolarHBondContact O-N 2.81Å; C63-H66 VanDerWaalsContact O-N 3.12Å; C63-F67 HydrophobicContact CB-CD1 4.22Å; C63-F67 HydrophobicContact CB-CD2 4.08Å; C63-F67 HydrophobicContact CB-CE1 3.81Å; C63-F67 HydrophobicContact CB-CE2 3.68Å; C63-F67 HydrophobicContact CB-CG 4.33Å; C63-F67 HydrophobicContact CB-CZ 3.52Å
64E96.3Very high98.2Very high67 Ų6734.9 Ų34.931%0.31318%0.178SC..G310 helixtrans47.7-130-177.6-56.9-169.5163.200112.3G62 H66 F67 W142 R737G62-E64 VanDerWaalsContact C-N 3.27Å; E64-H66 PolarHBondContact O-N 3.37Å; E64-F67 WeakPolarHBondContact O-CB 3.46Å; E64-F67 VanDerWaalsContact O-CD2 3.22Å; E64-F67 WeakPolarHBondContact O-CD2 3.25Å; E64-F67 PolarHBondContact O-N 2.97Å; E64-W142 VanDerWaalsContact CA-CZ2 3.47Å; E64-W142 HydrophobicContact CB-CH2 4.48Å; E64-W142 HydrophobicContact CB-CZ2 3.84Å; E64-W142 HydrophobicContact CG-CH2 4.37Å; E64-W142 HydrophobicContact CG-CZ2 4.15Å; E64-W142 PolarHBondContact O-NE1 2.74Å; E64-R737 IonicContact OE1-CZ 3.26Å; E64-R737 IonicContact OE1-NE 2.64Å; E64-R737 PolarHBondContact OE1-NE 2.82Å; E64-R737 IonicContact OE1-NH2 3.38Å; E64-R737 PolarHBondContact OE1-NH2 3.16Å; E64-R737 IonicContact OE2-CZ 2.8Å; E64-R737 IonicContact OE2-NE 3.03Å; E64-R737 IonicContact OE2-NH2 2.74Å; E64-R737 PolarHBondContact OE2-NH2 2.92Å
65D97.6Very high98.2Very high68 Ų6837.9 Ų37.936%0.36419%0.192SC..G310 helixtrans-66.3-9-175.4-73.5-1.7000113.9C63 F67 H68 R141 W142C63-D65 PolarHBondContact O-N 2.85Å; D65-F67 PolarHBondContact O-N 2.81Å; D65-F67 VanDerWaalsContact O-N 3.16Å; D65-H68 VanDerWaalsContact O-CB 3.3Å; D65-H68 WeakPolarHBondContact O-CB 3.46Å; D65-H68 PolarHBondContact O-N 3.37Å; D65-H68 IonicContact OD1-CE1 3.36Å; D65-R141 IonicContact OD1-CZ 2.72Å; D65-R141 IonicContact OD1-NE 2.67Å; D65-R141 PolarHBondContact OD1-NE 3.34Å; D65-R141 IonicContact OD1-NH2 2.65Å; D65-R141 PolarHBondContact OD1-NH2 2.95Å; D65-R141 IonicContact OD2-CZ 3.88Å; D65-R141 IonicContact OD2-NE 3.56Å; D65-R141 IonicContact OD2-NH2 3.44Å; D65-R141 PolarHBondContact OD2-NH2 2.84Å; D65-W142 PolarHBondContact OD1-NE1 2.95Å
66H98.4Very high98.2Very high75 Ų7537.8 Ų37.835%0.34719%0.191SC..G310 helixtrans-63-17167.9-70.6-76.9000112.6L27 C63 E64 H68 E69 T72L27-H66 HydrophobicContact CD1-CB 4.2Å; L27-H66 HydrophobicContact CD2-CB 4.15Å; C63-H66 HydrophobicContact CB-CB 4.15Å; C63-H66 VanDerWaalsContact O-CB 3.31Å; C63-H66 WeakPolarHBondContact O-CB 3.23Å; C63-H66 PolarHBondContact O-CD2 2.86Å; C63-H66 PolarHBondContact O-N 2.81Å; C63-H66 VanDerWaalsContact O-N 3.12Å; E64-H66 PolarHBondContact O-N 3.37Å; H66-H68 PolarHBondContact O-N 3.18Å; H66-E69 IonicContact CE1-OE1 3.4Å; H66-E69 IonicContact CE1-OE2 2.77Å; H66-E69 IonicContact CG-OE2 2.68Å; H66-E69 IonicContact ND1-OE1 3.85Å; H66-E69 PolarHBondContact ND1-OE1 3.15Å; H66-E69 VanDerWaalsContact ND1-OE1 3.08Å; H66-E69 IonicContact ND1-OE2 3.96Å; H66-E69 PolarHBondContact ND1-OE2 3.16Å; H66-E69 WeakPolarHBondContact O-CB 3.4Å; H66-E69 PolarHBondContact O-N 2.91Å; H66-T72 WeakPolarHBondContact O-CB 3.28Å; H66-T72 PolarHBondContact O-OG1 3.02Å
67F98.5Very high98.2Very high2 Ų238.7 Ų38.71%0.00920%0.195CC..G310 helixtrans-69.7-10.6168.7-68.2-52.4000113.7L56 Y61 C63 E64 D65 E69 T72 Y73 P103 W142 F143L56-F67 HydrophobicContact CD1-CE1 4.47Å; L56-F67 HydrophobicContact CD1-CE2 4.3Å; L56-F67 HydrophobicContact CD1-CZ 3.77Å; Y61-F67 VanDerWaalsContact O-CE2 3.32Å; Y61-F67 WeakPolarHBondContact O-CE2 3.46Å; C63-F67 HydrophobicContact CB-CD1 4.22Å; C63-F67 HydrophobicContact CB-CD2 4.08Å; C63-F67 HydrophobicContact CB-CE1 3.81Å; C63-F67 HydrophobicContact CB-CE2 3.68Å; C63-F67 HydrophobicContact CB-CG 4.33Å; C63-F67 HydrophobicContact CB-CZ 3.52Å; E64-F67 WeakPolarHBondContact O-CB 3.46Å; E64-F67 VanDerWaalsContact O-CD2 3.22Å; E64-F67 WeakPolarHBondContact O-CD2 3.25Å; E64-F67 PolarHBondContact O-N 2.97Å; D65-F67 PolarHBondContact O-N 2.81Å; D65-F67 VanDerWaalsContact O-N 3.16Å; F67-E69 VanDerWaalsContact C-N 3.33Å; F67-T72 HydrophobicContact CD1-CG2 3.89Å; F67-T72 HydrophobicContact CE1-CG2 4.15Å; F67-Y73 VanDerWaalsContact O-CE2 3.24Å; F67-Y73 WeakPolarHBondContact O-CE2 3.22Å; F67-Y73 PolarHBondContact O-OH 2.99Å; F67-P103 HydrophobicContact CD1-CB 4.12Å; F67-P103 HydrophobicContact CD1-CG 4.15Å; F67-P103 HydrophobicContact CE1-CB 4.17Å; F67-P103 HydrophobicContact CE1-CG 3.98Å; F67-W142 HydrophobicContact CB-CB 3.72Å; F67-W142 HydrophobicContact CB-CG 4.09Å; F67-W142 HydrophobicContact CD2-CB 4.1Å; F67-W142 HydrophobicContact CD2-CD2 4.13Å; F67-W142 HydrophobicContact CD2-CE3 4.19Å; F67-W142 HydrophobicContact CD2-CG 4.08Å; F67-W142 HydrophobicContact CG-CB 4.32Å; F67-F143 HydrophobicContact CB-CE1 4.48Å; F67-F143 HydrophobicContact CB-CZ 4.21Å; F67-F143 HydrophobicContact CD1-CE1 4.16Å; F67-F143 AromaticContact CD1-CZ 3.59Å; F67-F143 HydrophobicContact CD1-CZ 3.59Å; F67-F143 AromaticContact CD2-CE2 3.79Å; F67-F143 HydrophobicContact CD2-CE2 3.79Å; F67-F143 AromaticContact CD2-CZ 3.61Å; F67-F143 HydrophobicContact CD2-CZ 3.61Å; F67-F143 AromaticContact CE1-CZ 3.76Å; F67-F143 HydrophobicContact CE1-CZ 3.76Å; F67-F143 AromaticContact CE2-CE2 3.84Å; F67-F143 HydrophobicContact CE2-CE2 3.84Å; F67-F143 AromaticContact CE2-CZ 3.75Å; F67-F143 HydrophobicContact CE2-CZ 3.75Å; F67-F143 HydrophobicContact CG-CE1 4.2Å; F67-F143 HydrophobicContact CG-CE2 4.17Å; F67-F143 AromaticContact CG-CZ 3.54Å; F67-F143 HydrophobicContact CG-CZ 3.54Å; F67-F143 HydrophobicContact CZ-CE2 4.28Å; F67-F143 AromaticContact CZ-CZ 3.84Å; F67-F143 HydrophobicContact CZ-CZ 3.84Å
68H97.9Very high98.2Very high108 Ų10842.8 Ų42.850%0.521%0.214SC..G310 helixtrans-82.1-12.9167.7-60.6162.2000112.6D65 H66 R141 W142D65-H68 VanDerWaalsContact O-CB 3.3Å; D65-H68 WeakPolarHBondContact O-CB 3.46Å; D65-H68 PolarHBondContact O-N 3.37Å; D65-H68 IonicContact OD1-CE1 3.36Å; H66-H68 PolarHBondContact O-N 3.18Å; H68-R141 PolarHBondContact NE2-O 2.98Å; H68-W142 AromaticContact NE2-CD1 3.58Å
69E98.4Very high98.2Very high89 Ų8943.3 Ų43.342%0.41622%0.218SC..SBendtrans-89128.9-178.4-57.7173.2175.700110.9H66 F67 D71 T72 Y73H66-E69 IonicContact CE1-OE1 3.4Å; H66-E69 IonicContact CE1-OE2 2.77Å; H66-E69 IonicContact CG-OE2 2.68Å; H66-E69 IonicContact ND1-OE1 3.85Å; H66-E69 PolarHBondContact ND1-OE1 3.15Å; H66-E69 VanDerWaalsContact ND1-OE1 3.08Å; H66-E69 IonicContact ND1-OE2 3.96Å; H66-E69 PolarHBondContact ND1-OE2 3.16Å; H66-E69 WeakPolarHBondContact O-CB 3.4Å; H66-E69 PolarHBondContact O-N 2.91Å; F67-E69 VanDerWaalsContact C-N 3.33Å; E69-D71 PolarHBondContact O-N 2.69Å; E69-T72 WeakPolarHBondContact O-CB 3.05Å; E69-T72 PolarHBondContact O-N 2.81Å; E69-Y73 WeakPolarHBondContact O-CD2 3.47Å; E69-Y73 WeakPolarHBondContact O-CE2 3.34Å
70L98.1Very high98.2Very high112 Ų11243.3 Ų43.359%0.58622%0.218SC*.Hα-helixtrans-61.7-26.7178.2-70.9175.7000113T72 Y73 T74 L105L70-T72 VanDerWaalsContact C-N 3.26Å; L70-T72 PolarHBondContact O-N 3.35Å; L70-Y73 PolarHBondContact O-N 2.88Å; L70-T74 PolarHBondContact O-N 3.1Å; L70-T74 PolarHBondContact O-OG1 3.16Å; L70-L105 HydrophobicContact CD2-CD2 3.94Å
71D98.6Very high98.3Very high98 Ų9843.6 Ų43.652%0.52422%0.22SC..Hα-helixtrans-60.7-37.4178.6-74.19.2000111.1E69 Y73 T74 H75E69-D71 PolarHBondContact O-N 2.69Å; D71-Y73 VanDerWaalsContact C-N 3.3Å; D71-Y73 PolarHBondContact O-N 2.91Å; D71-T74 PolarHBondContact O-N 3.04Å; D71-T74 VanDerWaalsContact O-N 3.16Å; D71-H75 WeakPolarHBondContact O-CB 3.29Å; D71-H75 PolarHBondContact O-CD2 2.84Å; D71-H75 VanDerWaalsContact O-CG 3.29Å; D71-H75 PolarHBondContact O-N 2.78Å
72T98.7Very high98.3Very high2 Ų247.6 Ų47.61%0.01224%0.238CC..Hα-helixtrans-58.8-41.7177.8-59.80000111.9L27 F29 H66 F67 E69 L70 S76 P103L27-T72 HydrophobicContact CD2-CG2 4.48Å; F29-T72 HydrophobicContact CZ-CG2 4.38Å; H66-T72 WeakPolarHBondContact O-CB 3.28Å; H66-T72 PolarHBondContact O-OG1 3.02Å; F67-T72 HydrophobicContact CD1-CG2 3.89Å; F67-T72 HydrophobicContact CE1-CG2 4.15Å; E69-T72 WeakPolarHBondContact O-CB 3.05Å; E69-T72 PolarHBondContact O-N 2.81Å; L70-T72 VanDerWaalsContact C-N 3.26Å; L70-T72 PolarHBondContact O-N 3.35Å; T72-S76 VanDerWaalsContact O-CB 3.3Å; T72-S76 WeakPolarHBondContact O-CB 3.43Å; T72-S76 PolarHBondContact O-N 2.82Å; T72-S76 VanDerWaalsContact O-N 3.11Å; T72-S76 PolarHBondContact O-OG 2.92Å; T72-P103 HydrophobicContact CG2-CG 4.03Å
73Y98.6Very high98.4Very high12 Ų1247.1 Ų47.15%0.04723%0.232CC..Hα-helixtrans-72.7-42.1176.6-56.5-93.7000111.5F67 E69 L70 D71 S76 W77 P103 L105 A110F67-Y73 VanDerWaalsContact O-CE2 3.24Å; F67-Y73 WeakPolarHBondContact O-CE2 3.22Å; F67-Y73 PolarHBondContact O-OH 2.99Å; E69-Y73 WeakPolarHBondContact O-CD2 3.47Å; E69-Y73 WeakPolarHBondContact O-CE2 3.34Å; L70-Y73 PolarHBondContact O-N 2.88Å; D71-Y73 VanDerWaalsContact C-N 3.3Å; D71-Y73 PolarHBondContact O-N 2.91Å; Y73-S76 PolarHBondContact O-N 3.37Å; Y73-W77 PolarHBondContact O-N 2.91Å; Y73-P103 HydrophobicContact CD1-CB 4.06Å; Y73-P103 HydrophobicContact CD1-CG 4.41Å; Y73-P103 HydrophobicContact CE1-CB 3.74Å; Y73-P103 HydrophobicContact CE1-CG 4.47Å; Y73-L105 HydrophobicContact CD1-CB 3.94Å; Y73-L105 HydrophobicContact CE1-CB 4.24Å; Y73-L105 HydrophobicContact CE1-CD1 4.47Å; Y73-L105 HydrophobicContact CG-CB 4.39Å; Y73-A110 HydrophobicContact CE1-CB 4.21Å; Y73-A110 WeakPolarHBondContact OH-CB 3.37Å
74T98.4Very high98.4Very high68 Ų6847 Ų4742%0.41723%0.231SC..Hα-helixtrans-61.4-49.4-179.5-59.50000111L70 D71 W77 Q78L70-T74 PolarHBondContact O-N 3.1Å; L70-T74 PolarHBondContact O-OG1 3.16Å; D71-T74 PolarHBondContact O-N 3.04Å; D71-T74 VanDerWaalsContact O-N 3.16Å; T74-W77 PolarHBondContact O-N 2.95Å; T74-Q78 WeakPolarHBondContact O-CG 3.5Å; T74-Q78 PolarHBondContact O-N 3.24Å
75H98.8Very high98.4Very high62 Ų6246.9 Ų46.929%0.28723%0.233SC..Hα-helixtrans-66.1-37.9177-64.7-42.5000112F29 D71 W77 Q78 C79F29-H75 HydrophobicContact CD1-CB 3.91Å; F29-H75 HydrophobicContact CD2-CB 3.66Å; F29-H75 HydrophobicContact CE1-CB 3.81Å; F29-H75 HydrophobicContact CE2-CB 3.55Å; F29-H75 AromaticContact CE2-CD2 3.85Å; F29-H75 HydrophobicContact CG-CB 3.86Å; F29-H75 HydrophobicContact CZ-CB 3.63Å; D71-H75 WeakPolarHBondContact O-CB 3.29Å; D71-H75 PolarHBondContact O-CD2 2.84Å; D71-H75 VanDerWaalsContact O-CG 3.29Å; D71-H75 PolarHBondContact O-N 2.78Å; H75-W77 VanDerWaalsContact C-N 3.3Å; H75-W77 PolarHBondContact O-N 3.21Å; H75-Q78 PolarHBondContact ND1-OE1 3.37Å; H75-Q78 WeakPolarHBondContact O-CB 3.15Å; H75-Q78 PolarHBondContact O-N 2.96Å; H75-Q78 VanDerWaalsContact O-N 3.12Å; H75-C79 PolarHBondContact O-N 3.18Å; H75-C79 PolarHBondContact O-SG 3.08Å
76S98.8Very high98.4Very high0 Ų046.3 Ų46.30%023%0.228CC..Hα-helixtrans-59.2-41.6174.5-61.90000112.1T72 Y73 C79 I80T72-S76 VanDerWaalsContact O-CB 3.3Å; T72-S76 WeakPolarHBondContact O-CB 3.43Å; T72-S76 PolarHBondContact O-N 2.82Å; T72-S76 VanDerWaalsContact O-N 3.11Å; T72-S76 PolarHBondContact O-OG 2.92Å; Y73-S76 PolarHBondContact O-N 3.37Å; S76-C79 WeakPolarHBondContact O-CB 3.48Å; S76-C79 PolarHBondContact O-N 2.98Å; S76-I80 PolarHBondContact O-N 3.32Å
77W98.7Very high98.4Very high18 Ų1842.8 Ų42.87%0.06821%0.212CC..Hα-helixtrans-69.2-33.8174.5-77.1119.7000113.7Y73 T74 H75 C79 I80 A81 M102 V104 I125 F155 L157 P158 I160 V161Y73-W77 PolarHBondContact O-N 2.91Å; T74-W77 PolarHBondContact O-N 2.95Å; H75-W77 VanDerWaalsContact C-N 3.3Å; H75-W77 PolarHBondContact O-N 3.21Å; W77-C79 VanDerWaalsContact C-N 3.32Å; W77-I80 HydrophobicContact CE3-CB 4.19Å; W77-I80 HydrophobicContact CE3-CG1 4.37Å; W77-I80 HydrophobicContact CE3-CG2 4.25Å; W77-I80 HydrophobicContact CZ3-CG2 4.29Å; W77-I80 PolarHBondContact O-N 3.05Å; W77-A81 PolarHBondContact O-N 3Å; W77-M102 HydrophobicContact CD2-CE 3.7Å; W77-M102 HydrophobicContact CE3-CE 4.13Å; W77-M102 HydrophobicContact CE3-SD 4.45Å; W77-M102 HydrophobicContact CG-CE 3.94Å; W77-M102 HydrophobicContact CZ2-CE 4.32Å; W77-V104 HydrophobicContact CZ2-CG1 4.13Å; W77-V104 HydrophobicContact CZ2-CG2 4.19Å; W77-I125 HydrophobicContact CH2-CD1 3.97Å; W77-F155 HydrophobicContact CH2-CE1 4.03Å; W77-F155 AromaticContact CZ2-CE1 3.67Å; W77-F155 HydrophobicContact CZ2-CE1 3.67Å; W77-F155 AromaticContact CZ2-CZ 3.84Å; W77-F155 HydrophobicContact CZ2-CZ 3.84Å; W77-L157 HydrophobicContact CH2-CD2 4.15Å; W77-L157 HydrophobicContact CZ3-CD2 4.37Å; W77-P158 HydrophobicContact CD2-CG 3.72Å; W77-P158 HydrophobicContact CE3-CG 4.33Å; W77-P158 HydrophobicContact CG-CG 3.84Å; W77-P158 HydrophobicContact CZ2-CG 4.17Å; W77-I160 HydrophobicContact CB-CG2 4.38Å; W77-V161 HydrophobicContact CD2-CG2 4.35Å; W77-V161 HydrophobicContact CE3-CG2 3.5Å; W77-V161 VanDerWaalsContact CE3-CG2 3.5Å; W77-V161 HydrophobicContact CZ3-CG2 3.98Å
78Q98.8Very high98.2Very high87 Ų8746 Ų4641%0.40723%0.229SC..Hα-helixtrans-61.9-40.7171.2-69.3167.6-7.700111.4T74 H75 A81 K82 I160T74-Q78 WeakPolarHBondContact O-CG 3.5Å; T74-Q78 PolarHBondContact O-N 3.24Å; H75-Q78 PolarHBondContact ND1-OE1 3.37Å; H75-Q78 WeakPolarHBondContact O-CB 3.15Å; H75-Q78 PolarHBondContact O-N 2.96Å; H75-Q78 VanDerWaalsContact O-N 3.12Å; Q78-A81 PolarHBondContact O-N 3.32Å; Q78-K82 PolarHBondContact O-N 2.86Å; Q78-I160 HydrophobicContact CB-CD1 4.29Å; Q78-I160 HydrophobicContact CG-CD1 3.67Å
79C98.8Very high98.1Very high11 Ų1148.5 Ų48.57%0.07424%0.241CC..Hα-helixtrans-62.4-45.1174.3-66.60000112T33 I58 H75 S76 W77 A81 K82 I83T33-C79 VanDerWaalsContact OG1-CB 3.32Å; T33-C79 WeakPolarHBondContact OG1-CB 3.38Å; T33-C79 PolarHBondContact OG1-SG 3.22Å; I58-C79 HydrophobicContact CD1-CB 4.24Å; I58-C79 HydrophobicContact CG2-CB 3.68Å; H75-C79 PolarHBondContact O-N 3.18Å; H75-C79 PolarHBondContact O-SG 3.08Å; S76-C79 WeakPolarHBondContact O-CB 3.48Å; S76-C79 PolarHBondContact O-N 2.98Å; W77-C79 VanDerWaalsContact C-N 3.32Å; C79-A81 PolarHBondContact O-N 2.95Å; C79-K82 WeakPolarHBondContact O-CB 3.1Å; C79-K82 PolarHBondContact O-N 3.18Å; C79-I83 WeakPolarHBondContact O-CG1 3.39Å; C79-I83 PolarHBondContact O-N 3.13Å
80I98.7Very high98Very high0 Ų046.1 Ų46.10%023%0.231CC..Hα-helixtrans-61.1-43.4174.7-67.7-60.2000111.6S76 W77 K82 I83 L84 I100 M102 V161S76-I80 PolarHBondContact O-N 3.32Å; W77-I80 HydrophobicContact CE3-CB 4.19Å; W77-I80 HydrophobicContact CE3-CG1 4.37Å; W77-I80 HydrophobicContact CE3-CG2 4.25Å; W77-I80 HydrophobicContact CZ3-CG2 4.29Å; W77-I80 PolarHBondContact O-N 3.05Å; I80-K82 VanDerWaalsContact C-N 3.3Å; I80-K82 PolarHBondContact O-N 3.36Å; I80-I83 PolarHBondContact O-N 2.78Å; I80-L84 HydrophobicContact CG2-CD1 3.9Å; I80-L84 HydrophobicContact CG2-CG 4.4Å; I80-L84 WeakPolarHBondContact O-CG 3.48Å; I80-L84 PolarHBondContact O-N 3.32Å; I80-I100 HydrophobicContact CD1-CD1 4.46Å; I80-I100 HydrophobicContact CD1-CG2 3.99Å; I80-M102 HydrophobicContact CD1-SD 4Å; I80-M102 HydrophobicContact CG1-SD 3.38Å; I80-M102 WeakPolarHBondContact CG1-SD 3.21Å; I80-V161 HydrophobicContact CG2-CG2 4.35Å
81A98.6Very high97.9Very high5 Ų546.4 Ų46.44%0.04124%0.237CC..Hα-helixtrans-61.2-40.1176.900000111.8W77 Q78 C79 L84 N85 I160 V164W77-A81 PolarHBondContact O-N 3Å; Q78-A81 PolarHBondContact O-N 3.32Å; C79-A81 PolarHBondContact O-N 2.95Å; A81-L84 PolarHBondContact O-N 3.39Å; A81-N85 PolarHBondContact O-N 2.87Å; A81-I160 HydrophobicContact CB-CD1 4.29Å; A81-I160 HydrophobicContact CB-CG1 3.86Å; A81-I160 HydrophobicContact CB-CG2 4.44Å; A81-V164 HydrophobicContact CB-CG2 4.05Å
82K98.4Very high97.7Very high103 Ų10344.9 Ų44.945%0.44823%0.227SC..Hα-helixtrans-62.5-44.6173.6-178.2174.7178.3178.40112.2T33 Q78 C79 I80 L84 N85 E86T33-K82 HydrophobicContact CG2-CD 4.13Å; Q78-K82 PolarHBondContact O-N 2.86Å; C79-K82 WeakPolarHBondContact O-CB 3.1Å; C79-K82 PolarHBondContact O-N 3.18Å; I80-K82 VanDerWaalsContact C-N 3.3Å; I80-K82 PolarHBondContact O-N 3.36Å; K82-L84 VanDerWaalsContact C-N 3.35Å; K82-N85 PolarHBondContact O-N 2.94Å; K82-E86 PolarHBondContact O-N 2.91Å
83I98.6Very high97.7Very high0 Ų044.8 Ų44.80%023%0.226CC..Hα-helixtrans-63.5-41.6177.6-68.9165.8000110.8T33 V36 I37 I58 C79 I80 E86 I87 M93 I100 L117T33-I83 HydrophobicContact CG2-CD1 4.18Å; T33-I83 HydrophobicContact CG2-CG1 3.89Å; V36-I83 HydrophobicContact CB-CD1 4.44Å; V36-I83 HydrophobicContact CG1-CD1 3.84Å; I37-I83 HydrophobicContact CD1-CG1 4.43Å; I37-I83 HydrophobicContact CG1-CG1 4.11Å; I58-I83 HydrophobicContact CD1-CD1 3.79Å; C79-I83 WeakPolarHBondContact O-CG1 3.39Å; C79-I83 PolarHBondContact O-N 3.13Å; I80-I83 PolarHBondContact O-N 2.78Å; I83-E86 PolarHBondContact O-N 3.17Å; I83-I87 HydrophobicContact CG2-CD1 3.93Å; I83-I87 HydrophobicContact CG2-CG1 4.4Å; I83-I87 VanDerWaalsContact O-CG1 3.3Å; I83-I87 WeakPolarHBondContact O-CG1 3.41Å; I83-I87 PolarHBondContact O-N 2.88Å; I83-M93 HydrophobicContact CG2-CE 4.22Å; I83-I100 HydrophobicContact CD1-CD1 4.09Å; I83-I100 HydrophobicContact CG2-CD1 4.13Å; I83-L117 HydrophobicContact CG2-CD1 4.01Å
84L98.3Very high97.5Very high0 Ų046.3 Ų46.30%023%0.234CC..Hα-helixtrans-62.6-41.7176.5-78.3166.7000112.5I80 A81 K82 I87 N88 L117 V122 V161 V164 T165I80-L84 HydrophobicContact CG2-CD1 3.9Å; I80-L84 HydrophobicContact CG2-CG 4.4Å; I80-L84 WeakPolarHBondContact O-CG 3.48Å; I80-L84 PolarHBondContact O-N 3.32Å; A81-L84 PolarHBondContact O-N 3.39Å; K82-L84 VanDerWaalsContact C-N 3.35Å; L84-I87 WeakPolarHBondContact O-CB 3.16Å; L84-I87 PolarHBondContact O-N 3.35Å; L84-N88 PolarHBondContact O-N 3.03Å; L84-N88 PolarHBondContact O-ND2 3.34Å; L84-L117 HydrophobicContact CD2-CD1 4.17Å; L84-L117 HydrophobicContact CD2-CD2 4.21Å; L84-L117 HydrophobicContact CG-CD1 4.22Å; L84-V122 HydrophobicContact CD1-CG2 4.48Å; L84-V161 HydrophobicContact CD1-CG1 3.76Å; L84-V164 HydrophobicContact CB-CG2 3.8Å; L84-V164 HydrophobicContact CD1-CG2 3.96Å; L84-T165 HydrophobicContact CD1-CG2 3.87Å
85N97.3Very high97.4Very high65 Ų6546.8 Ų46.835%0.34823%0.234SC..Hα-helixtrans-60.2-47.4172.9-79.1-21.6000111.6A81 K82 I87 N88 E89 V164A81-N85 PolarHBondContact O-N 2.87Å; K82-N85 PolarHBondContact O-N 2.94Å; N85-I87 VanDerWaalsContact C-N 3.31Å; N85-I87 PolarHBondContact O-N 2.93Å; N85-N88 PolarHBondContact O-N 2.83Å; N85-N88 VanDerWaalsContact O-N 3.12Å; N85-E89 WeakPolarHBondContact O-CB 3.4Å; N85-E89 WeakPolarHBondContact O-CG 3.19Å; N85-E89 PolarHBondContact O-N 3.38Å; N85-V164 VanDerWaalsContact OD1-CB 3.24Å; N85-V164 WeakPolarHBondContact OD1-CB 3.49Å; N85-V164 WeakPolarHBondContact OD1-CG1 3.4Å
86E97.6Very high97.3Very high56 Ų5643.9 Ų43.926%0.26222%0.22SC..Hα-helixtrans-60.9-39175.7-74-85165.500112I37 K41 K82 I83 E89 N90 M93I37-E86 HydrophobicContact CD1-CG 4.01Å; K41-E86 IonicContact NZ-OE2 3.74Å; K41-E86 PolarHBondContact NZ-OE2 3.15Å; K82-E86 PolarHBondContact O-N 2.91Å; I83-E86 PolarHBondContact O-N 3.17Å; E86-E89 PolarHBondContact O-N 3.13Å; E86-N90 WeakPolarHBondContact O-CA 3.44Å; E86-N90 WeakPolarHBondContact O-CB 2.94Å; E86-N90 PolarHBondContact O-N 3.07Å; E86-M93 HydrophobicContact CB-CE 4.37Å; E86-M93 HydrophobicContact CB-SD 3.77Å
87I97.5Very high97.3Very high1 Ų143.9 Ų43.91%0.00522%0.22CC..Hα-helixtrans-57.5-52.7172.3-71.6166.1000109.3I83 L84 N85 E89 M93 Q94 L117I83-I87 HydrophobicContact CG2-CD1 3.93Å; I83-I87 HydrophobicContact CG2-CG1 4.4Å; I83-I87 VanDerWaalsContact O-CG1 3.3Å; I83-I87 WeakPolarHBondContact O-CG1 3.41Å; I83-I87 PolarHBondContact O-N 2.88Å; L84-I87 WeakPolarHBondContact O-CB 3.16Å; L84-I87 PolarHBondContact O-N 3.35Å; N85-I87 VanDerWaalsContact C-N 3.31Å; N85-I87 PolarHBondContact O-N 2.93Å; I87-E89 VanDerWaalsContact C-N 3.32Å; I87-E89 PolarHBondContact O-N 3.09Å; I87-M93 HydrophobicContact CB-CB 4.47Å; I87-M93 HydrophobicContact CG1-CB 4.04Å; I87-M93 HydrophobicContact CG1-CE 3.87Å; I87-Q94 WeakPolarHBondContact O-CG 3.25Å; I87-Q94 PolarHBondContact O-NE2 3.49Å; I87-L117 HydrophobicContact CD1-CB 4.13Å; I87-L117 HydrophobicContact CD1-CD1 4.12Å
88N95.7Very high97.3Very high68 Ų6843 Ų4336%0.36422%0.217SC..Hα-helixtrans-61.6-37-176.5-68.1-25.8000113.5L84 N85 G120 V164L84-N88 PolarHBondContact O-N 3.03Å; L84-N88 PolarHBondContact O-ND2 3.34Å; N85-N88 PolarHBondContact O-N 2.83Å; N85-N88 VanDerWaalsContact O-N 3.12Å; N88-G120 VanDerWaalsContact OD1-CA 3.3Å; N88-G120 WeakPolarHBondContact OD1-CA 3.3Å; N88-V164 PolarHBondContact ND2-O 2.8Å
89E95.4Very high97.3Very high162 Ų16238.9 Ų38.976%0.75720%0.198SC*.Hα-helixtrans-92.6-26.2-174.3-66.8177.8176.600113.5N85 E86 I87N85-E89 WeakPolarHBondContact O-CB 3.4Å; N85-E89 WeakPolarHBondContact O-CG 3.19Å; N85-E89 PolarHBondContact O-N 3.38Å; E86-E89 PolarHBondContact O-N 3.13Å; I87-E89 VanDerWaalsContact C-N 3.32Å; I87-E89 PolarHBondContact O-N 3.09Å
90N96.1Very high97.3Very high38 Ų3838.3 Ų38.320%0.20319%0.194CC..  trans-110.6115.6-172.3-162.6-36.7000112.3K41 E86 E92 M93 Q94K41-N90 VanDerWaalsContact CE-ND2 3.26Å; K41-N90 WeakPolarHBondContact CE-ND2 3.47Å; K41-N90 PolarHBondContact NZ-ND2 2.85Å; K41-N90 VanDerWaalsContact NZ-ND2 3.2Å; E86-N90 WeakPolarHBondContact O-CA 3.44Å; E86-N90 WeakPolarHBondContact O-CB 2.94Å; E86-N90 PolarHBondContact O-N 3.07Å; N90-E92 PolarHBondContact O-N 3.42Å; N90-E92 VanDerWaalsContact O-N 3.16Å; N90-E92 WeakPolarHBondContact OD1-CB 3.36Å; N90-E92 PolarHBondContact OD1-N 2.8Å; N90-M93 PolarHBondContact O-N 2.75Å; N90-Q94 PolarHBondContact O-N 3.02Å
91V94.6Very high97.3Very high119 Ų11938.3 Ų38.372%0.72119%0.194SC*.G310 helixtrans-58.8-27.6177.671.10000113.4M93 Q94V91-M93 PolarHBondContact O-N 2.96Å; V91-Q94 PolarHBondContact O-N 3.06Å
92E95.6Very high97.3Very high65 Ų6538.1 Ų38.130%0.30419%0.192SC..G310 helixtrans-70.4-5.4175.1-62.2-169.3111.400113.3K41 K44 R45 N90K41-E92 HydrophobicContact CB-CB 4.38Å; K41-E92 HydrophobicContact CG-CB 4.08Å; K44-E92 WeakPolarHBondContact CB-O 3.34Å; K44-E92 VanDerWaalsContact CG-O 3.29Å; K44-E92 WeakPolarHBondContact CG-O 3.4Å; R45-E92 WeakPolarHBondContact CD-OE1 3.36Å; R45-E92 IonicContact CZ-OE1 3.61Å; R45-E92 IonicContact NH1-OE1 3.89Å; R45-E92 PolarHBondContact NH1-OE1 2.91Å; R45-E92 IonicContact NH1-OE2 3.8Å; R45-E92 PolarHBondContact NH1-OE2 2.78Å; N90-E92 PolarHBondContact O-N 3.42Å; N90-E92 VanDerWaalsContact O-N 3.16Å; N90-E92 WeakPolarHBondContact OD1-CB 3.36Å; N90-E92 PolarHBondContact OD1-N 2.8Å
93M97.5Very high97.4Very high0 Ų033.2 Ų33.20%017%0.171CC..G310 helixtrans-120.14.5176.8-64.8-17369.300112.9I37 V40 K41 I83 E86 I87 N90 V91I37-M93 HydrophobicContact CG1-CE 4.31Å; I37-M93 HydrophobicContact CG2-CE 4.49Å; I37-M93 HydrophobicContact CG2-SD 3.9Å; V40-M93 HydrophobicContact CB-CE 3.92Å; V40-M93 HydrophobicContact CB-CG 4.49Å; V40-M93 HydrophobicContact CG1-CB 4.19Å; V40-M93 HydrophobicContact CG1-CE 3.78Å; V40-M93 HydrophobicContact CG1-CG 3.85Å; V40-M93 HydrophobicContact CG2-CE 4.28Å; K41-M93 VanDerWaalsContact CE-SD 3.58Å; K41-M93 HydrophobicContact CG-CG 3.71Å; K41-M93 HydrophobicContact CG-SD 4.14Å; I83-M93 HydrophobicContact CG2-CE 4.22Å; E86-M93 HydrophobicContact CB-CE 4.37Å; E86-M93 HydrophobicContact CB-SD 3.77Å; I87-M93 HydrophobicContact CB-CB 4.47Å; I87-M93 HydrophobicContact CG1-CB 4.04Å; I87-M93 HydrophobicContact CG1-CE 3.87Å; N90-M93 PolarHBondContact O-N 2.75Å; V91-M93 PolarHBondContact O-N 2.96Å
94Q96Very high97.4Very high44 Ų4433.2 Ų33.221%0.20617%0.171CC..SBendtrans-87156.2172.9-70.5-73-17.200111.2K44 I87 N90 V91 I96 N119K44-Q94 WeakPolarHBondContact CE-O 3.49Å; K44-Q94 PolarHBondContact NZ-O 3.14Å; I87-Q94 WeakPolarHBondContact O-CG 3.25Å; I87-Q94 PolarHBondContact O-NE2 3.49Å; N90-Q94 PolarHBondContact O-N 3.02Å; V91-Q94 PolarHBondContact O-N 3.06Å; Q94-I96 VanDerWaalsContact C-N 3.25Å; Q94-I96 PolarHBondContact O-N 3.09Å; Q94-N119 PolarHBondContact OE1-OD1 2.89Å
95D95.5Very high97.4Very high78 Ų7836 Ų3642%0.41719%0.186SC..SBendtrans51.642.6178.2-60.1-43.8000113.2K44 N119 F340K44-D95 PolarHBondContact NZ-O 3.07Å; D95-N119 WeakPolarHBondContact CA-OD1 3.34Å; D95-N119 PolarHBondContact N-OD1 3.37Å; D95-N119 PolarHBondContact OD1-ND2 3.05Å; D95-F340 HydrophobicContact CB-CE2 3.87Å; D95-F340 HydrophobicContact CB-CZ 4.17Å; D95-F340 WeakPolarHBondContact O-CZ 3.25Å
96I97.5Very high97.3Very high1 Ų134.9 Ų34.91%0.00518%0.179CC..  trans-143.2129.6172.3-176168.7000108.7V40 A43 K44 A48 K49 R51 Q94 C98V40-I96 HydrophobicContact CG1-CG2 3.91Å; A43-I96 HydrophobicContact CB-CD1 3.76Å; K44-I96 HydrophobicContact CB-CD1 4.26Å; K44-I96 HydrophobicContact CD-CB 4.17Å; K44-I96 HydrophobicContact CD-CG2 4.32Å; A48-I96 WeakPolarHBondContact O-CD1 3.22Å; K49-I96 WeakPolarHBondContact O-CA 3.44Å; R51-I96 HydrophobicContact CB-CD1 3.99Å; R51-I96 HydrophobicContact CB-CG1 4.36Å; Q94-I96 VanDerWaalsContact C-N 3.25Å; Q94-I96 PolarHBondContact O-N 3.09Å; I96-C98 PolarHBondContact O-N 2.97Å
97V98.6Very high97.1Very high0 Ų036.1 Ų36.10%021%0.208CC..EExtended strand (participates in β ladder)trans-74.1125.5173.6-176.60000108.3K49 Y50 R51 L116 L117 L118 F181 F340K49-V97 PolarHBondContact O-N 2.96Å; Y50-V97 HydrophobicContact CD2-CB 3.64Å; Y50-V97 HydrophobicContact CD2-CG1 3.8Å; Y50-V97 HydrophobicContact CD2-CG2 4.04Å; Y50-V97 HydrophobicContact CE2-CB 3.97Å; Y50-V97 HydrophobicContact CE2-CG1 3.55Å; Y50-V97 HydrophobicContact CE2-CG2 4.48Å; Y50-V97 HydrophobicContact CG-CB 4.05Å; Y50-V97 HydrophobicContact CG-CG1 4.43Å; R51-V97 PolarHBondContact N-O 2.87Å; V97-L116 HydrophobicContact CG1-CD2 4.34Å; V97-L117 WeakPolarHBondContact CA-O 3.32Å; V97-L118 HydrophobicContact CG2-CD1 4.11Å; V97-L118 HydrophobicContact CG2-CD2 4.38Å; V97-F181 HydrophobicContact CG1-CZ 4.48Å; V97-F181 HydrophobicContact CG2-CE1 3.54Å; V97-F181 HydrophobicContact CG2-CZ 3.9Å; V97-F340 HydrophobicContact CG2-CD1 4.38Å; V97-F340 HydrophobicContact CG2-CE1 4.4Å
98C98.7Very high96.9Very high0 Ų039.1 Ų39.10%024%0.239CC..EExtended strand (participates in β ladder)trans-105.9114.4176.3-57.90000109.3V40 I96 I100 L116 L117V40-C98 VanDerWaalsContact CG1-SG 3.58Å; V40-C98 HydrophobicContact CG2-CB 4.45Å; I96-C98 PolarHBondContact O-N 2.97Å; C98-I100 HydrophobicContact CB-CD1 4.01Å; C98-I100 HydrophobicContact CB-CG1 4.4Å; C98-L116 CarbonylContact O-C 3.52Å; C98-L116 WeakPolarHBondContact O-CA 3.43Å; C98-L117 HydrophobicContact CB-CB 4.24Å; C98-L117 PolarHBondContact N-O 2.84Å; C98-L117 PolarHBondContact O-N 2.83Å
99D98.8Very high97Very high0 Ų038.2 Ų38.20%024%0.236CC..EExtended strand (participates in β ladder)trans-107.1110.5178.9-175.4-22.7000109.3Y50 R51 G53 R114 L116 L194Y50-D99 HydrophobicContact CE1-CB 3.64Å; Y50-D99 PolarHBondContact OH-OD2 2.92Å; R51-D99 PolarHBondContact NH1-O 2.82Å; R51-D99 WeakPolarHBondContact O-CB 3.22Å; R51-D99 PolarHBondContact O-N 3.04Å; G53-D99 PolarHBondContact N-O 2.52Å; D99-R114 IonicContact OD1-CZ 2.56Å; D99-R114 IonicContact OD1-NE 3.8Å; D99-R114 PolarHBondContact OD1-NE 2.89Å; D99-R114 IonicContact OD1-NH2 2.81Å; D99-R114 PolarHBondContact OD1-NH2 2.88Å; D99-R114 VanDerWaalsContact OD1-NH2 3.13Å; D99-R114 IonicContact OD2-CZ 3.83Å; D99-R114 IonicContact OD2-NE 2.69Å; D99-R114 IonicContact OD2-NH2 2.78Å; D99-R114 PolarHBondContact OD2-NH2 3.46Å; D99-L116 HydrophobicContact CB-CG 4.38Å; D99-L194 WeakPolarHBondContact OD2-CD2 3.1Å
100I98.9Very high97.2Very high0 Ų031.2 Ų31.20%021%0.205CC..EExtended strand (participates in β ladder)trans-127130.2-162.7-65.4163.3000110.9V36 E57 I58 I80 I83 C98 R114 I115 L117V36-I100 HydrophobicContact CG1-CD1 4.09Å; V36-I100 HydrophobicContact CG1-CG1 4.16Å; E57-I100 HydrophobicContact CG-CG2 4.22Å; E57-I100 VanDerWaalsContact OE1-CA 3.22Å; E57-I100 WeakPolarHBondContact OE1-CA 3.36Å; E57-I100 WeakPolarHBondContact OE1-CB 3.43Å; E57-I100 WeakPolarHBondContact OE1-CG1 3.45Å; E57-I100 WeakPolarHBondContact OE1-CG2 3.4Å; I58-I100 HydrophobicContact CD1-CG2 3.77Å; I58-I100 HydrophobicContact CG1-CG2 3.46Å; I58-I100 VanDerWaalsContact CG1-CG2 3.46Å; I80-I100 HydrophobicContact CD1-CD1 4.46Å; I80-I100 HydrophobicContact CD1-CG2 3.99Å; I83-I100 HydrophobicContact CD1-CD1 4.09Å; I83-I100 HydrophobicContact CG2-CD1 4.13Å; C98-I100 HydrophobicContact CB-CD1 4.01Å; C98-I100 HydrophobicContact CB-CG1 4.4Å; I100-R114 CarbonylContact O-C 3.6Å; I100-R114 WeakPolarHBondContact O-CA 3.27Å; I100-I115 PolarHBondContact N-O 2.94Å; I100-I115 PolarHBondContact O-N 2.76Å; I100-L117 HydrophobicContact CD1-CD1 3.89Å
101G98.8Very high97.3Very high0 Ų030.3 Ų30.30%020%0.199CC..EExtended strand (participates in β ladder)trans-85.8131.2176.900000113.8L56 E57 I58 C113L56-G101 CarbonylContact C-O 3.58Å; L56-G101 VanDerWaalsContact C-O 3.29Å; E57-G101 PolarHBondContact N-O 2.98Å; E57-G101 VanDerWaalsContact N-O 3.13Å; I58-G101 WeakPolarHBondContact CG1-O 3.22Å; I58-G101 PolarHBondContact N-O 3.48Å; G101-C113 WeakPolarHBondContact CA-O 3.2Å
102M98.8Very high97.5Very high0 Ų024.8 Ų24.80%017%0.165CC..EExtended strand (participates in β ladder)trans-157.9160170.672.6175.5-92.700112.3L56 I58 W77 I80 V104 C113 I115L56-M102 VanDerWaalsContact CD2-C 3.44Å; I58-M102 HydrophobicContact CB-CB 4.01Å; I58-M102 HydrophobicContact CG1-CB 4.2Å; W77-M102 HydrophobicContact CD2-CE 3.7Å; W77-M102 HydrophobicContact CE3-CE 4.13Å; W77-M102 HydrophobicContact CE3-SD 4.45Å; W77-M102 HydrophobicContact CG-CE 3.94Å; W77-M102 HydrophobicContact CZ2-CE 4.32Å; I80-M102 HydrophobicContact CD1-SD 4Å; I80-M102 HydrophobicContact CG1-SD 3.38Å; I80-M102 WeakPolarHBondContact CG1-SD 3.21Å; M102-V104 HydrophobicContact CE-CG2 4.18Å; M102-V104 HydrophobicContact CG-CG2 4.18Å; M102-C113 PolarHBondContact N-O 2.98Å; M102-C113 CarbonylContact O-C 3.52Å; M102-C113 WeakPolarHBondContact O-CA 3.39Å; M102-C113 WeakPolarHBondContact O-CB 3.3Å; M102-C113 PolarHBondContact O-N 2.87Å; M102-I115 HydrophobicContact CG-CD1 4.03Å; M102-I115 HydrophobicContact CG-CG1 3.56Å; M102-I115 HydrophobicContact SD-CD1 4.3Å; M102-I115 HydrophobicContact SD-CG1 3.73Å
103P98.8Very high97.6Very high0 Ų021.7 Ų21.70%015%0.151CC..EExtended strand (participates in β ladder)trans-75.2142170.532.8-35.8000111L56 F67 T72 Y73 Y111 F143L56-P103 HydrophobicContact CD2-CB 4.41Å; F67-P103 HydrophobicContact CD1-CB 4.12Å; F67-P103 HydrophobicContact CD1-CG 4.15Å; F67-P103 HydrophobicContact CE1-CB 4.17Å; F67-P103 HydrophobicContact CE1-CG 3.98Å; T72-P103 HydrophobicContact CG2-CG 4.03Å; Y73-P103 HydrophobicContact CD1-CB 4.06Å; Y73-P103 HydrophobicContact CD1-CG 4.41Å; Y73-P103 HydrophobicContact CE1-CB 3.74Å; Y73-P103 HydrophobicContact CE1-CG 4.47Å; P103-Y111 CarbonylContact C-O 3.47Å; P103-Y111 WeakPolarHBondContact CA-O 3.45Å; P103-F143 HydrophobicContact CB-CE1 3.85Å; P103-F143 HydrophobicContact CB-CZ 4.26Å
104V98.7Very high97.7Very high0 Ų021.7 Ų21.70%015%0.151CC..EExtended strand (participates in β ladder)trans-130.9135.9177.4177.40000110.3W77 M102 Y111 C113 I115 I125 F155 F174W77-V104 HydrophobicContact CZ2-CG1 4.13Å; W77-V104 HydrophobicContact CZ2-CG2 4.19Å; M102-V104 HydrophobicContact CE-CG2 4.18Å; M102-V104 HydrophobicContact CG-CG2 4.18Å; V104-Y111 PolarHBondContact N-O 2.82Å; V104-Y111 PolarHBondContact O-N 3.3Å; V104-C113 HydrophobicContact CB-CB 4.18Å; V104-C113 HydrophobicContact CG2-CB 3.69Å; V104-I115 HydrophobicContact CG2-CD1 3.81Å; V104-I125 HydrophobicContact CG2-CG2 4.23Å; V104-F155 HydrophobicContact CG1-CD2 4.48Å; V104-F155 HydrophobicContact CG1-CE2 3.51Å; V104-F155 HydrophobicContact CG1-CZ 3.54Å; V104-F174 HydrophobicContact CG1-CE2 4.05Å
105L97.8Very high97.8Very high60 Ų6019.6 Ų19.631%0.31414%0.141SC..EExtended strand (participates in β ladder)trans-96.6124.6173.1-162.975000109.5L70 Y73 V109 A110L70-L105 HydrophobicContact CD2-CD2 3.94Å; Y73-L105 HydrophobicContact CD1-CB 3.94Å; Y73-L105 HydrophobicContact CE1-CB 4.24Å; Y73-L105 HydrophobicContact CE1-CD1 4.47Å; Y73-L105 HydrophobicContact CG-CB 4.39Å; L105-V109 WeakPolarHBondContact CA-O 3.3Å; L105-A110 HydrophobicContact CD1-CB 4.44Å
106L96.9Very high98Very high40 Ų4015.9 Ų15.921%0.20912%0.121CC..EExtended strand (participates in β ladder)trans-127.5116.9174.3166.965.9000108.8G108 V109 Y111 W146 I153 F155 F174L106-G108 PolarHBondContact O-N 2.95Å; L106-G108 VanDerWaalsContact O-N 3.17Å; L106-V109 PolarHBondContact N-O 3.39Å; L106-V109 WeakPolarHBondContact O-CB 3.43Å; L106-V109 PolarHBondContact O-N 3.31Å; L106-Y111 HydrophobicContact CB-CD2 4.09Å; L106-Y111 HydrophobicContact CB-CE2 3.86Å; L106-Y111 HydrophobicContact CD2-CE2 4.18Å; L106-Y111 HydrophobicContact CG-CE2 4.42Å; L106-W146 HydrophobicContact CD2-CZ3 3.99Å; L106-I153 HydrophobicContact CD1-CD1 4.49Å; L106-I153 HydrophobicContact CD2-CD1 3.78Å; L106-F155 HydrophobicContact CB-CD2 4.39Å; L106-F155 HydrophobicContact CB-CE2 4.1Å; L106-F155 HydrophobicContact CD1-CD2 3.94Å; L106-F155 HydrophobicContact CD1-CE2 4.24Å; L106-F174 HydrophobicContact CB-CZ 4.38Å; L106-F174 HydrophobicContact CD2-CD1 3.85Å; L106-F174 HydrophobicContact CD2-CE1 3.52Å; L106-F174 HydrophobicContact CD2-CE2 4.43Å; L106-F174 HydrophobicContact CD2-CG 4.46Å; L106-F174 HydrophobicContact CD2-CZ 3.86Å
107G93Very high98Very high83 Ų8315.9 Ų15.986%0.85612%0.121SC*.THydrogen-bonded Turntrans58.628.5179.600000114V109G107-V109 VanDerWaalsContact C-N 3.32Å
108G94Very high98Very high64 Ų6416.4 Ų16.466%0.6612%0.124SC*.THydrogen-bonded Turntrans82.62.2-174.500000115L106L106-G108 PolarHBondContact O-N 2.95Å; L106-G108 VanDerWaalsContact O-N 3.17Å
109V97.6Very high97.9Very high49 Ų4918 Ų1830%0.29713%0.133SC..EExtended strand (participates in β ladder)trans-102.1130.3177-175.20000110L105 L106 G107 Y111 T144L105-V109 WeakPolarHBondContact CA-O 3.3Å; L106-V109 PolarHBondContact N-O 3.39Å; L106-V109 WeakPolarHBondContact O-CB 3.43Å; L106-V109 PolarHBondContact O-N 3.31Å; G107-V109 VanDerWaalsContact C-N 3.32Å; V109-Y111 HydrophobicContact CB-CE2 3.7Å; V109-Y111 HydrophobicContact CG1-CD2 4.36Å; V109-Y111 HydrophobicContact CG1-CE1 4.19Å; V109-Y111 HydrophobicContact CG1-CE2 3.62Å; V109-Y111 WeakPolarHBondContact O-CD2 3.46Å; V109-T144 HydrophobicContact CG1-CG2 4.09Å; V109-T144 WeakPolarHBondContact CG1-OG1 3.43Å
110A98.4Very high97.7Very high14 Ų1418 Ų1812%0.11613%0.133CC..EExtended strand (participates in β ladder)trans-85.8130.6179.600000111.6Y73 L105 W142 F143 T144Y73-A110 HydrophobicContact CE1-CB 4.21Å; Y73-A110 WeakPolarHBondContact OH-CB 3.37Å; L105-A110 HydrophobicContact CD1-CB 4.44Å; A110-W142 VanDerWaalsContact CB-O 3.3Å; A110-W142 WeakPolarHBondContact CB-O 3.37Å; A110-F143 HydrophobicContact CB-CD1 4.1Å; A110-F143 WeakPolarHBondContact O-CA 3.45Å; A110-T144 PolarHBondContact O-N 2.81Å
111Y98.8Very high97.7Very high20 Ų2020 Ų208%0.07815%0.145CC..EExtended strand (participates in β ladder)trans-126.6141176.5-62.3-83.7000110.6P103 V104 L106 V109 C113 P127 T144 W146 F174P103-Y111 CarbonylContact C-O 3.47Å; P103-Y111 WeakPolarHBondContact CA-O 3.45Å; V104-Y111 PolarHBondContact N-O 2.82Å; V104-Y111 PolarHBondContact O-N 3.3Å; L106-Y111 HydrophobicContact CB-CD2 4.09Å; L106-Y111 HydrophobicContact CB-CE2 3.86Å; L106-Y111 HydrophobicContact CD2-CE2 4.18Å; L106-Y111 HydrophobicContact CG-CE2 4.42Å; V109-Y111 HydrophobicContact CB-CE2 3.7Å; V109-Y111 HydrophobicContact CG1-CD2 4.36Å; V109-Y111 HydrophobicContact CG1-CE1 4.19Å; V109-Y111 HydrophobicContact CG1-CE2 3.62Å; V109-Y111 WeakPolarHBondContact O-CD2 3.46Å; Y111-C113 VanDerWaalsContact CB-SG 3.51Å; Y111-P127 HydrophobicContact CD1-CB 4.06Å; Y111-P127 HydrophobicContact CG-CB 4.2Å; Y111-T144 WeakPolarHBondContact CD1-O 3.41Å; Y111-T144 HydrophobicContact CE1-CG2 4.45Å; Y111-T144 WeakPolarHBondContact CE1-O 3.11Å; Y111-W146 AromaticContact CE1-CE3 3.91Å; Y111-W146 HydrophobicContact CE1-CE3 3.91Å; Y111-F174 AromaticContact CD2-CZ 3.96Å; Y111-F174 HydrophobicContact CD2-CZ 3.96Å; Y111-F174 HydrophobicContact CE2-CZ 4.45Å; Y111-F174 HydrophobicContact CG-CZ 4.16Å
112N98.7Very high97.7Very high2 Ų220 Ų201%0.01115%0.145CC..EExtended strand (participates in β ladder)trans-80.2116.3165.2174.7-14.4000108.2E55 L56 P127 K128 F143E55-N112 PolarHBondContact OE1-ND2 2.85Å; L56-N112 HydrophobicContact CD2-CB 4.29Å; L56-N112 WeakPolarHBondContact CD2-OD1 3.45Å; N112-P127 CarbonylContact O-C 3.51Å; N112-P127 WeakPolarHBondContact O-CA 3.44Å; N112-K128 HydrophobicContact CB-CB 4.21Å; N112-K128 HydrophobicContact CB-CD 4.48Å; N112-K128 WeakPolarHBondContact O-CB 3.35Å; N112-K128 PolarHBondContact O-N 3.36Å; N112-F143 HydrophobicContact CB-CD1 4.25Å; N112-F143 HydrophobicContact CB-CD2 4.12Å; N112-F143 HydrophobicContact CB-CE1 4.43Å; N112-F143 HydrophobicContact CB-CE2 4.29Å; N112-F143 HydrophobicContact CB-CG 4.09Å; N112-F143 HydrophobicContact CB-CZ 4.43Å
113C98.8Very high97.6Very high0 Ų021.2 Ų21.20%015%0.151CC..EExtended strand (participates in β ladder)trans-127.6157.4-167.4-69.40000113.6G101 M102 V104 Y111 I115 I125 R126 P127G101-C113 WeakPolarHBondContact CA-O 3.2Å; M102-C113 PolarHBondContact N-O 2.98Å; M102-C113 CarbonylContact O-C 3.52Å; M102-C113 WeakPolarHBondContact O-CA 3.39Å; M102-C113 WeakPolarHBondContact O-CB 3.3Å; M102-C113 PolarHBondContact O-N 2.87Å; V104-C113 HydrophobicContact CB-CB 4.18Å; V104-C113 HydrophobicContact CG2-CB 3.69Å; Y111-C113 VanDerWaalsContact CB-SG 3.51Å; C113-I115 HydrophobicContact CB-CD1 4.24Å; C113-I125 HydrophobicContact CB-CG2 4.02Å; C113-R126 CarbonylContact C-O 3.58Å; C113-R126 WeakPolarHBondContact CA-O 3.33Å; C113-P127 VanDerWaalsContact SG-CA 3.57Å
114R98.8Very high97.6Very high1 Ų121.2 Ų21.20%0.00415%0.151CC..EExtended strand (participates in β ladder)trans-109.6129164.9-59.1176.867.6163.83109.4V52 D99 I100 L116 I125 R126 E195 T196 L219 S221V52-R114 VanDerWaalsContact CG2-NH2 3.34Å; D99-R114 IonicContact OD1-CZ 2.56Å; D99-R114 IonicContact OD1-NE 3.8Å; D99-R114 PolarHBondContact OD1-NE 2.89Å; D99-R114 IonicContact OD1-NH2 2.81Å; D99-R114 PolarHBondContact OD1-NH2 2.88Å; D99-R114 VanDerWaalsContact OD1-NH2 3.13Å; D99-R114 IonicContact OD2-CZ 3.83Å; D99-R114 IonicContact OD2-NE 2.69Å; D99-R114 IonicContact OD2-NH2 2.78Å; D99-R114 PolarHBondContact OD2-NH2 3.46Å; I100-R114 CarbonylContact O-C 3.6Å; I100-R114 WeakPolarHBondContact O-CA 3.27Å; R114-L116 HydrophobicContact CB-CD1 4.48Å; R114-I125 CarbonylContact O-C 3.08Å; R114-I125 WeakPolarHBondContact O-CA 3.18Å; R114-R126 HydrophobicContact CB-CB 4.37Å; R114-R126 PolarHBondContact N-O 3.13Å; R114-R126 PolarHBondContact O-N 2.56Å; R114-E195 PolarHBondContact NH1-O 3.25Å; R114-T196 WeakPolarHBondContact CD-OG1 3.42Å; R114-L219 PolarHBondContact NH1-O 2.78Å; R114-S221 VanDerWaalsContact CZ-CB 3.45Å
115I98.7Very high97.6Very high0 Ų021.2 Ų21.20%015%0.151CC..EExtended strand (participates in β ladder)trans-108.1120.7178.8-43.7-56.9000107.7I100 M102 V104 C113 L117 V122 I125I100-I115 PolarHBondContact N-O 2.94Å; I100-I115 PolarHBondContact O-N 2.76Å; M102-I115 HydrophobicContact CG-CD1 4.03Å; M102-I115 HydrophobicContact CG-CG1 3.56Å; M102-I115 HydrophobicContact SD-CD1 4.3Å; M102-I115 HydrophobicContact SD-CG1 3.73Å; V104-I115 HydrophobicContact CG2-CD1 3.81Å; C113-I115 HydrophobicContact CB-CD1 4.24Å; I115-L117 HydrophobicContact CG2-CD2 3.71Å; I115-L117 HydrophobicContact CG2-CG 4.43Å; I115-V122 HydrophobicContact CG2-CG1 3.97Å; I115-I125 HydrophobicContact CD1-CB 4.14Å; I115-I125 HydrophobicContact CD1-CD1 4.4Å; I115-I125 HydrophobicContact CD1-CG1 3.84Å; I115-I125 HydrophobicContact CD1-CG2 3.6Å
116L98.8Very high97.7Very high0 Ų018.4 Ų18.40%014%0.136CC..EExtended strand (participates in β ladder)trans-103122179.5-70.993.6000110.5Y50 V97 C98 D99 R114 V122 L123 L124 L179 L194Y50-L116 WeakPolarHBondContact OH-CD2 3.1Å; V97-L116 HydrophobicContact CG1-CD2 4.34Å; C98-L116 CarbonylContact O-C 3.52Å; C98-L116 WeakPolarHBondContact O-CA 3.43Å; D99-L116 HydrophobicContact CB-CG 4.38Å; R114-L116 HydrophobicContact CB-CD1 4.48Å; L116-V122 CarbonylContact O-C 3.58Å; L116-L123 HydrophobicContact CB-CB 4.21Å; L116-L123 PolarHBondContact O-N 3.28Å; L116-L124 HydrophobicContact CB-CB 4.49Å; L116-L124 HydrophobicContact CD1-CB 4.12Å; L116-L124 HydrophobicContact CD1-CD2 4.34Å; L116-L124 HydrophobicContact CD1-CG 4.3Å; L116-L124 PolarHBondContact N-O 2.68Å; L116-L179 HydrophobicContact CD2-CD1 3.21Å; L116-L179 HydrophobicContact CD2-CD2 4.33Å; L116-L179 HydrophobicContact CD2-CG 4.36Å; L116-L194 HydrophobicContact CD1-CD1 3.5Å; L116-L194 VanDerWaalsContact CD1-CD1 3.5Å; L116-L194 HydrophobicContact CD2-CD1 4.06Å; L116-L194 HydrophobicContact CG-CD1 4.37Å
117L98.6Very high97.8Very high0 Ų016.5 Ų16.50%013%0.126CC..EExtended strand (participates in β ladder)trans-116142.9-178.6-47.1178.8000110.3I83 L84 I87 V97 C98 I100 I115 T121 V122I83-L117 HydrophobicContact CG2-CD1 4.01Å; L84-L117 HydrophobicContact CD2-CD1 4.17Å; L84-L117 HydrophobicContact CD2-CD2 4.21Å; L84-L117 HydrophobicContact CG-CD1 4.22Å; I87-L117 HydrophobicContact CD1-CB 4.13Å; I87-L117 HydrophobicContact CD1-CD1 4.12Å; V97-L117 WeakPolarHBondContact CA-O 3.32Å; C98-L117 HydrophobicContact CB-CB 4.24Å; C98-L117 PolarHBondContact N-O 2.84Å; C98-L117 PolarHBondContact O-N 2.83Å; I100-L117 HydrophobicContact CD1-CD1 3.89Å; I115-L117 HydrophobicContact CG2-CD2 3.71Å; I115-L117 HydrophobicContact CG2-CG 4.43Å; L117-T121 CarbonylContact C-O 3.58Å; L117-T121 VanDerWaalsContact CA-O 3.3Å; L117-T121 WeakPolarHBondContact CA-O 3.39Å; L117-V122 HydrophobicContact CD2-CB 4.27Å; L117-V122 HydrophobicContact CD2-CG1 4.3Å; L117-V122 HydrophobicContact CD2-CG2 3.79Å
118L97.9Very high98Very high11 Ų1112.6 Ų12.66%0.0589%0.086CC..EExtended strand (participates in β ladder)trans-150.7126.4168.9177.865.4000109.8V97 G120 T121 L123 V338 F340V97-L118 HydrophobicContact CG2-CD1 4.11Å; V97-L118 HydrophobicContact CG2-CD2 4.38Å; L118-G120 VanDerWaalsContact C-N 3.27Å; L118-G120 PolarHBondContact O-N 2.95Å; L118-T121 PolarHBondContact N-O 3.21Å; L118-T121 WeakPolarHBondContact O-CB 3.32Å; L118-T121 PolarHBondContact O-N 3.37Å; L118-L123 HydrophobicContact CB-CD1 3.7Å; L118-L123 HydrophobicContact CB-CD2 4.27Å; L118-L123 HydrophobicContact CB-CG 4.08Å; L118-L123 HydrophobicContact CD2-CD1 4.32Å; L118-V338 HydrophobicContact CD2-CG1 3.67Å; L118-F340 HydrophobicContact CD1-CD1 4.46Å; L118-F340 HydrophobicContact CD1-CD2 4.46Å; L118-F340 HydrophobicContact CD1-CE1 4.43Å; L118-F340 HydrophobicContact CD1-CE2 4.45Å; L118-F340 HydrophobicContact CD1-CG 4.48Å; L118-F340 HydrophobicContact CD1-CZ 4.44Å; L118-F340 HydrophobicContact CD2-CB 3.67Å; L118-F340 HydrophobicContact CD2-CD1 4.08Å; L118-F340 HydrophobicContact CD2-CD2 4.22Å; L118-F340 HydrophobicContact CD2-CG 3.74Å
119N96.2Very high98.2Very high34 Ų3410 Ų1018%0.1826%0.057CC..THydrogen-bonded Turntrans46.449.9173-61.5-5.4000112.8Q94 D95 T121Q94-N119 PolarHBondContact OE1-OD1 2.89Å; D95-N119 WeakPolarHBondContact CA-OD1 3.34Å; D95-N119 PolarHBondContact N-OD1 3.37Å; D95-N119 PolarHBondContact OD1-ND2 3.05Å; N119-T121 VanDerWaalsContact C-N 3.32Å; N119-T121 PolarHBondContact O-N 3.32Å
120G95.6Very high98.2Very high0 Ų09.8 Ų9.80%06%0.056CC..THydrogen-bonded Turntrans76.77.4179.500000115.7N88 L118 T165 K166N88-G120 VanDerWaalsContact OD1-CA 3.3Å; N88-G120 WeakPolarHBondContact OD1-CA 3.3Å; L118-G120 VanDerWaalsContact C-N 3.27Å; L118-G120 PolarHBondContact O-N 2.95Å; G120-T165 CarbonylContact O-C 3.47Å; G120-T165 WeakPolarHBondContact O-CA 3.43Å; G120-T165 WeakPolarHBondContact O-CB 3.43Å; G120-K166 PolarHBondContact O-N 2.67Å
121T97.8Very high98.1Very high41 Ų4110 Ų1025%0.2526%0.055SC..EExtended strand (participates in β ladder)trans-112.8139.4-177.9-50.50000110.5L117 L118 N119 L123 Q169L117-T121 CarbonylContact C-O 3.58Å; L117-T121 VanDerWaalsContact CA-O 3.3Å; L117-T121 WeakPolarHBondContact CA-O 3.39Å; L118-T121 PolarHBondContact N-O 3.21Å; L118-T121 WeakPolarHBondContact O-CB 3.32Å; L118-T121 PolarHBondContact O-N 3.37Å; N119-T121 VanDerWaalsContact C-N 3.32Å; N119-T121 PolarHBondContact O-N 3.32Å; T121-L123 HydrophobicContact CG2-CD2 4.29Å; T121-Q169 VanDerWaalsContact CG2-OE1 3.3Å
122V98.4Very high98Very high1 Ų19.1 Ų9.11%0.0065%0.052CC..EExtended strand (participates in β ladder)trans-87.6108169.3-1740000108.3L84 I115 L116 L117 I125 L157 V161 T165 Q169 A172L84-V122 HydrophobicContact CD1-CG2 4.48Å; I115-V122 HydrophobicContact CG2-CG1 3.97Å; L116-V122 CarbonylContact O-C 3.58Å; L117-V122 HydrophobicContact CD2-CB 4.27Å; L117-V122 HydrophobicContact CD2-CG1 4.3Å; L117-V122 HydrophobicContact CD2-CG2 3.79Å; V122-I125 HydrophobicContact CG1-CG1 4.16Å; V122-L157 HydrophobicContact CB-CD1 4.18Å; V122-L157 HydrophobicContact CB-CD2 4.39Å; V122-L157 HydrophobicContact CG1-CD2 4.31Å; V122-L157 HydrophobicContact CG2-CD1 3.96Å; V122-L157 HydrophobicContact CG2-CD2 4.17Å; V122-V161 HydrophobicContact CG2-CG1 4.2Å; V122-T165 HydrophobicContact CG2-CG2 4.14Å; V122-Q169 PolarHBondContact O-NE2 3.29Å; V122-A172 HydrophobicContact CB-CB 4.06Å; V122-A172 HydrophobicContact CG1-CB 3.79Å
123L98.2Very high97.8Very high26 Ų2612.7 Ų12.714%0.1367%0.071CC..EExtended strand (participates in β ladder)trans-77.5-48.5-174.9-59.2-179.4000112.3L116 L118 T121 L179 V338L116-L123 HydrophobicContact CB-CB 4.21Å; L116-L123 PolarHBondContact O-N 3.28Å; L118-L123 HydrophobicContact CB-CD1 3.7Å; L118-L123 HydrophobicContact CB-CD2 4.27Å; L118-L123 HydrophobicContact CB-CG 4.08Å; L118-L123 HydrophobicContact CD2-CD1 4.32Å; T121-L123 HydrophobicContact CG2-CD2 4.29Å; L123-L179 HydrophobicContact CB-CD2 4.49Å; L123-V338 HydrophobicContact CD1-CG1 3.99Å; L123-V338 HydrophobicContact CD1-CG2 4.09Å; L123-V338 HydrophobicContact CD2-CG1 4.2Å
124L98.7Very high97.2Very high0 Ų020.3 Ų20.30%011%0.106CC..EExtended strand (participates in β ladder)trans-156141.5-172.7173.964.6000109.9L116 R126 A173 A177 L179 L194 V336L116-L124 HydrophobicContact CB-CB 4.49Å; L116-L124 HydrophobicContact CD1-CB 4.12Å; L116-L124 HydrophobicContact CD1-CD2 4.34Å; L116-L124 HydrophobicContact CD1-CG 4.3Å; L116-L124 PolarHBondContact N-O 2.68Å; L124-R126 HydrophobicContact CD2-CB 4.3Å; L124-R126 HydrophobicContact CG-CB 4.34Å; L124-A173 CarbonylContact C-O 3.58Å; L124-A173 WeakPolarHBondContact CA-O 3.4Å; L124-A173 HydrophobicContact CD1-CB 4.12Å; L124-A177 HydrophobicContact CD1-CB 4.25Å; L124-A177 HydrophobicContact CD2-CB 4.23Å; L124-L179 HydrophobicContact CB-CD2 4.31Å; L124-L179 HydrophobicContact CD2-CD2 4.34Å; L124-L179 HydrophobicContact CD2-CG 4.35Å; L124-L194 HydrophobicContact CD2-CD1 4.07Å; L124-V336 HydrophobicContact CD1-CG2 4.38Å
125I98.8Very high96.7Very high0 Ų021.8 Ų21.80%012%0.122CC..EExtended strand (participates in β ladder)trans-111.1105.4165.8-57.3174.8000107.1W77 V104 C113 R114 I115 V122 P127 F155 L157 A172 A173 F174 G175W77-I125 HydrophobicContact CH2-CD1 3.97Å; V104-I125 HydrophobicContact CG2-CG2 4.23Å; C113-I125 HydrophobicContact CB-CG2 4.02Å; R114-I125 CarbonylContact O-C 3.08Å; R114-I125 WeakPolarHBondContact O-CA 3.18Å; I115-I125 HydrophobicContact CD1-CB 4.14Å; I115-I125 HydrophobicContact CD1-CD1 4.4Å; I115-I125 HydrophobicContact CD1-CG1 3.84Å; I115-I125 HydrophobicContact CD1-CG2 3.6Å; V122-I125 HydrophobicContact CG1-CG1 4.16Å; I125-P127 VanDerWaalsContact O-CD 3.27Å; I125-P127 WeakPolarHBondContact O-CD 3.21Å; I125-F155 HydrophobicContact CD1-CB 4.37Å; I125-F155 HydrophobicContact CD1-CD1 3.52Å; I125-F155 HydrophobicContact CD1-CE1 3.91Å; I125-F155 HydrophobicContact CD1-CG 3.91Å; I125-L157 HydrophobicContact CD1-CD2 4.3Å; I125-A172 HydrophobicContact CD1-CB 4.44Å; I125-A173 PolarHBondContact N-O 3.25Å; I125-F174 HydrophobicContact CB-CB 4.38Å; I125-F174 HydrophobicContact CB-CD2 3.64Å; I125-F174 HydrophobicContact CB-CE2 4.33Å; I125-F174 HydrophobicContact CB-CG 4.34Å; I125-F174 HydrophobicContact CD1-CD2 4.39Å; I125-F174 HydrophobicContact CG2-CD2 3.28Å; I125-F174 HydrophobicContact CG2-CE2 3.46Å; I125-F174 VanDerWaalsContact CG2-CE2 3.46Å; I125-F174 HydrophobicContact CG2-CG 4.32Å; I125-F174 VanDerWaalsContact O-CA 3.28Å; I125-F174 WeakPolarHBondContact O-CA 3.22Å; I125-G175 PolarHBondContact O-N 3.4Å
126R98.6Very high96.3Very high0 Ų023.1 Ų23.10%013%0.129CC..EExtended strand (participates in β ladder)trans-99.2105-178.5173.855.1169.752.611.6110.2C113 R114 L124 L129 G175 D176 L194 E199C113-R126 CarbonylContact C-O 3.58Å; C113-R126 WeakPolarHBondContact CA-O 3.33Å; R114-R126 HydrophobicContact CB-CB 4.37Å; R114-R126 PolarHBondContact N-O 3.13Å; R114-R126 PolarHBondContact O-N 2.56Å; L124-R126 HydrophobicContact CD2-CB 4.3Å; L124-R126 HydrophobicContact CG-CB 4.34Å; R126-L129 VanDerWaalsContact NH2-CG 3.26Å; R126-G175 WeakPolarHBondContact CD-O 3.5Å; R126-D176 IonicContact CZ-OD1 3.45Å; R126-D176 IonicContact NE-OD1 3.71Å; R126-D176 PolarHBondContact NE-OD1 2.87Å; R126-D176 IonicContact NH2-OD1 3.52Å; R126-D176 PolarHBondContact NH2-OD1 2.63Å; R126-L194 HydrophobicContact CB-CD1 3.98Å; R126-L194 HydrophobicContact CG-CB 4.31Å; R126-L194 HydrophobicContact CG-CD1 4.22Å; R126-E199 IonicContact CZ-OE1 2.72Å; R126-E199 IonicContact NH1-OE1 3.5Å; R126-E199 PolarHBondContact NH1-OE1 2.75Å; R126-E199 IonicContact NH1-OE2 3.35Å; R126-E199 IonicContact NH2-OE1 3.21Å; R126-E199 IonicContact NH2-OE2 3.62Å
127P98.6Very high96Very high0 Ų024.1 Ų24.10%013%0.133CC..EExtended strand (participates in β ladder)trans-74.2146.6172.433.4-38.5000111.3Y111 N112 C113 I125 W146 F174Y111-P127 HydrophobicContact CD1-CB 4.06Å; Y111-P127 HydrophobicContact CG-CB 4.2Å; N112-P127 CarbonylContact O-C 3.51Å; N112-P127 WeakPolarHBondContact O-CA 3.44Å; C113-P127 VanDerWaalsContact SG-CA 3.57Å; I125-P127 VanDerWaalsContact O-CD 3.27Å; I125-P127 WeakPolarHBondContact O-CD 3.21Å; P127-W146 HydrophobicContact CB-CB 3.89Å; P127-W146 HydrophobicContact CB-CG 4.33Å; P127-W146 HydrophobicContact CG-CB 3.54Å; P127-W146 HydrophobicContact CG-CD2 3.69Å; P127-W146 HydrophobicContact CG-CE3 4.07Å; P127-W146 HydrophobicContact CG-CG 3.47Å; P127-W146 VanDerWaalsContact CG-CG 3.47Å; P127-F174 HydrophobicContact CB-CE1 4.09Å; P127-F174 HydrophobicContact CB-CZ 3.86Å; P127-F174 HydrophobicContact CG-CD1 4.28Å; P127-F174 HydrophobicContact CG-CE1 3.61Å; P127-F174 HydrophobicContact CG-CZ 3.88Å
128K98.5Very high95.8Very high2 Ų227.1 Ų27.11%0.00915%0.145CC..  trans-63.2135.9175.4-168.8170.6-169.6-174.60110.9E55 N112 V130 L131 E139 W146 T196E55-K128 WeakPolarHBondContact OE1-CD 3.45Å; E55-K128 WeakPolarHBondContact OE1-CE 3.43Å; E55-K128 IonicContact OE1-NZ 3.81Å; E55-K128 PolarHBondContact OE1-NZ 2.9Å; E55-K128 IonicContact OE2-NZ 3.02Å; N112-K128 HydrophobicContact CB-CB 4.21Å; N112-K128 HydrophobicContact CB-CD 4.48Å; N112-K128 WeakPolarHBondContact O-CB 3.35Å; N112-K128 PolarHBondContact O-N 3.36Å; K128-V130 WeakPolarHBondContact CE-O 3.37Å; K128-V130 VanDerWaalsContact CG-O 3.32Å; K128-V130 WeakPolarHBondContact CG-O 3.21Å; K128-L131 HydrophobicContact CB-CD2 4.36Å; K128-L131 HydrophobicContact CD-CD2 4.08Å; K128-L131 HydrophobicContact CG-CD2 4.24Å; K128-E139 WeakPolarHBondContact CE-OE2 3.47Å; K128-E139 IonicContact NZ-OE1 3.37Å; K128-E139 PolarHBondContact NZ-OE1 2.81Å; K128-E139 IonicContact NZ-OE2 3.52Å; K128-E139 PolarHBondContact NZ-OE2 3.11Å; K128-W146 PolarHBondContact O-N 2.69Å; K128-T196 HydrophobicContact CD-CG2 3.72Å; K128-T196 WeakPolarHBondContact CE-O 3.21Å; K128-T196 HydrophobicContact CG-CG2 4.09Å
129L97.5Very high95.8Very high8 Ų826.7 Ų26.74%0.04214%0.142CC..SBendtrans-89.7-36.3-177.8-55.1-174.8000112.3R126 P145 W146 D176 E199 P206R126-L129 VanDerWaalsContact NH2-CG 3.26Å; L129-P145 WeakPolarHBondContact O-CB 3.5Å; L129-W146 HydrophobicContact CD2-CB 3.89Å; L129-W146 HydrophobicContact CD2-CG 4.2Å; L129-D176 HydrophobicContact CD2-CB 4.17Å; L129-E199 WeakPolarHBondContact CB-OE1 3.36Å; L129-E199 PolarHBondContact N-OE1 2.85Å; L129-P206 HydrophobicContact CD1-CB 4.49Å; L129-P206 HydrophobicContact CD1-CG 4.07Å
130V97Very high95.9Very high46 Ų4628.6 Ų28.628%0.27916%0.158SC..SBendtrans-124.9120.1-176.9-176.80000108.4K128 E198 E199 T202K128-V130 WeakPolarHBondContact CE-O 3.37Å; K128-V130 VanDerWaalsContact CG-O 3.32Å; K128-V130 WeakPolarHBondContact CG-O 3.21Å; V130-E198 HydrophobicContact CG1-CG 4.33Å; V130-E199 HydrophobicContact CB-CG 4.11Å; V130-E199 HydrophobicContact CG2-CG 4.37Å; V130-T202 HydrophobicContact CB-CG2 4.2Å; V130-T202 HydrophobicContact CG1-CG2 3.7Å; V130-T202 HydrophobicContact CG2-CG2 4.07Å
131L97.5Very high96Very high18 Ų1835.1 Ų35.19%0.09418%0.183CC..  trans-88.3148.2179.2-62-170.8000111.1K128 E139 F143 P145K128-L131 HydrophobicContact CB-CD2 4.36Å; K128-L131 HydrophobicContact CD-CD2 4.08Å; K128-L131 HydrophobicContact CG-CD2 4.24Å; L131-E139 WeakPolarHBondContact CA-OE2 3.49Å; L131-E139 HydrophobicContact CB-CB 3.85Å; L131-E139 HydrophobicContact CD1-CB 4.28Å; L131-E139 HydrophobicContact CD2-CB 4.27Å; L131-E139 HydrophobicContact CG-CB 4.35Å; L131-F143 HydrophobicContact CD1-CB 4Å; L131-F143 VanDerWaalsContact CD1-O 3.23Å; L131-F143 WeakPolarHBondContact CD1-O 3.28Å; L131-F143 HydrophobicContact CD2-CB 4.26Å; L131-P145 HydrophobicContact CG-CB 4.14Å
132A96Very high95.9Very high2 Ų234.7 Ų34.72%0.01718%0.177CC..  trans-87.7119.6173.500000110.8H137 R138 E139 E198A132-H137 HydrophobicContact CB-CB 3.56Å; A132-H137 CarbonylContact O-C 3.6Å; A132-H137 WeakPolarHBondContact O-CB 3.33Å; A132-R138 PolarHBondContact O-N 3.12Å; A132-E139 HydrophobicContact CB-CG 4.4Å; A132-E139 PolarHBondContact N-OE2 3.22Å; A132-E139 WeakPolarHBondContact O-CB 3.34Å; A132-E139 PolarHBondContact O-N 3.13Å; A132-E198 HydrophobicContact CB-CB 4.06Å; A132-E198 HydrophobicContact CB-CG 4.08Å
133D93.8Very high96Very high77 Ų7734.9 Ų34.941%0.41218%0.178SC..  trans-13016.2-179-72.5-53.4000113.3H137 R138 E139 S140D133-H137 CarbonylContact C-O 3.56Å; D133-H137 VanDerWaalsContact C-O 3.24Å; D133-H137 WeakPolarHBondContact CA-O 3.44Å; D133-R138 WeakPolarHBondContact OD1-CA 3.3Å; D133-E139 PolarHBondContact OD1-N 3.46Å; D133-E139 VanDerWaalsContact OD1-N 3.14Å; D133-S140 VanDerWaalsContact OD1-CB 3.29Å; D133-S140 WeakPolarHBondContact OD1-CB 3.47Å; D133-S140 PolarHBondContact OD1-N 2.85Å; D133-S140 PolarHBondContact OD1-OG 3.14Å; D133-S140 WeakPolarHBondContact OD2-CB 3.45Å; D133-S140 PolarHBondContact OD2-OG 2.77Å; D133-S140 VanDerWaalsContact OD2-OG 3.13Å
134E87.4Confident96Very high160 Ų16036.8 Ų36.875%0.74819%0.19SC*.SBendtrans-105.6147178.3-65.1-169.4177.500112.9L136 H137E134-L136 PolarHBondContact O-N 2.87Å; E134-H137 WeakPolarHBondContact O-CB 3.41Å; E134-H137 PolarHBondContact O-CD2 3.04Å; E134-H137 PolarHBondContact O-N 3.28Å
135G87.1Confident95.9Very high31 Ų3139.5 Ų39.532%0.3221%0.208SC..THydrogen-bonded Turntrans63.7-115.3174.900000113H137G135-H137 VanDerWaalsContact C-N 3.34Å
136L91Very high95.8Very high28 Ų2839.9 Ų39.915%0.14721%0.209CC..THydrogen-bonded Turntrans-76.9-21174.9-70.1-179000112.9E134 A263 H727 R737 F738E134-L136 PolarHBondContact O-N 2.87Å; L136-A263 HydrophobicContact CD1-CB 4.2Å; L136-H727 HydrophobicContact CD1-CB 3.88Å; L136-R737 HydrophobicContact CD2-CB 3.81Å; L136-F738 HydrophobicContact CD2-CB 3.84Å; L136-F738 HydrophobicContact CD2-CD2 4.08Å; L136-F738 HydrophobicContact CD2-CG 4.42Å; L136-F738 HydrophobicContact CG-CD2 4.01Å
137H93.3Very high95.6Very high22 Ų2243.8 Ų43.810%0.10224%0.235CC..  trans-83141.8-173.3-56.6-76.6000111.6Y61 A132 D133 E134 G135 H225Y61-H137 AromaticContact CE1-ND1 3.85Å; Y61-H137 AromaticContact CZ-ND1 3.63Å; Y61-H137 PolarHBondContact OH-ND1 3.3Å; A132-H137 HydrophobicContact CB-CB 3.56Å; A132-H137 CarbonylContact O-C 3.6Å; A132-H137 WeakPolarHBondContact O-CB 3.33Å; D133-H137 CarbonylContact C-O 3.56Å; D133-H137 VanDerWaalsContact C-O 3.24Å; D133-H137 WeakPolarHBondContact CA-O 3.44Å; E134-H137 WeakPolarHBondContact O-CB 3.41Å; E134-H137 PolarHBondContact O-CD2 3.04Å; E134-H137 PolarHBondContact O-N 3.28Å; G135-H137 VanDerWaalsContact C-N 3.34Å; H137-H225 AromaticContact CD2-CE1 3.86Å; H137-H225 AromaticContact CE1-ND1 3.54Å; H137-H225 AromaticContact NE2-CE1 3.21Å; H137-H225 PolarHBondContact NE2-CE1 2.92Å; H137-H225 AromaticContact NE2-ND1 3.07Å; H137-H225 PolarHBondContact NE2-ND1 3.1Å
138R94.2Very high95.2Very high63 Ų6347.8 Ų47.824%0.23825%0.253CS..  trans-150.539.3-178.7-57.9-176.8-172.6-74.9-14.4111.2A132 D133 S140 R141 W142 R737 F740A132-R138 PolarHBondContact O-N 3.12Å; D133-R138 WeakPolarHBondContact OD1-CA 3.3Å; R138-S140 PolarHBondContact O-N 3.14Å; R138-S140 VanDerWaalsContact O-N 3.14Å; R138-R141 HydrophobicContact CB-CB 4.4Å; R138-R141 WeakPolarHBondContact O-CB 3.22Å; R138-R141 PolarHBondContact O-N 3Å; R138-W142 HydrophobicContact CB-CH2 4.23Å; R138-R737 PolarHBondContact NH2-O 2.96Å; R138-F740 VanDerWaalsContact CZ-CD2 3.41Å; R138-F740 VanDerWaalsContact NH1-CD2 3.28Å
139E97.7Very high94.8Very high2 Ų252.6 Ų52.61%0.00928%0.276CS..G310 helixtrans-57.8-32.2-170.8-73.7178.7-174.800113Y61 K128 L131 A132 D133 R141 W142 F143Y61-E139 WeakPolarHBondContact CE2-OE1 3.26Å; Y61-E139 WeakPolarHBondContact OH-CG 3.37Å; Y61-E139 PolarHBondContact OH-OE1 3.37Å; K128-E139 WeakPolarHBondContact CE-OE2 3.47Å; K128-E139 IonicContact NZ-OE1 3.37Å; K128-E139 PolarHBondContact NZ-OE1 2.81Å; K128-E139 IonicContact NZ-OE2 3.52Å; K128-E139 PolarHBondContact NZ-OE2 3.11Å; L131-E139 WeakPolarHBondContact CA-OE2 3.49Å; L131-E139 HydrophobicContact CB-CB 3.85Å; L131-E139 HydrophobicContact CD1-CB 4.28Å; L131-E139 HydrophobicContact CD2-CB 4.27Å; L131-E139 HydrophobicContact CG-CB 4.35Å; A132-E139 HydrophobicContact CB-CG 4.4Å; A132-E139 PolarHBondContact N-OE2 3.22Å; A132-E139 WeakPolarHBondContact O-CB 3.34Å; A132-E139 PolarHBondContact O-N 3.13Å; D133-E139 PolarHBondContact OD1-N 3.46Å; D133-E139 VanDerWaalsContact OD1-N 3.14Å; E139-R141 PolarHBondContact O-N 2.96Å; E139-R141 VanDerWaalsContact O-N 3.12Å; E139-W142 PolarHBondContact O-N 2.83Å; E139-F143 HydrophobicContact CB-CD2 4.41Å; E139-F143 PolarHBondContact O-N 2.78Å
140S97.4Very high94.5Very high74 Ų7454.1 Ų54.152%0.51728%0.282SS..G310 helixtrans-62.1-17.1175.561.50000114.3D133 R138 W142D133-S140 VanDerWaalsContact OD1-CB 3.29Å; D133-S140 WeakPolarHBondContact OD1-CB 3.47Å; D133-S140 PolarHBondContact OD1-N 2.85Å; D133-S140 PolarHBondContact OD1-OG 3.14Å; D133-S140 WeakPolarHBondContact OD2-CB 3.45Å; D133-S140 PolarHBondContact OD2-OG 2.77Å; D133-S140 VanDerWaalsContact OD2-OG 3.13Å; R138-S140 PolarHBondContact O-N 3.14Å; R138-S140 VanDerWaalsContact O-N 3.14Å; S140-W142 PolarHBondContact O-N 2.92Å
141R97.4Very high94.3Very high137 Ų13759 Ų5952%0.51730%0.296SS..G310 helixtrans-66.1-29.5172.1-176.3175.2173.474.93.2112D65 H68 R138 E139D65-R141 IonicContact OD1-CZ 2.72Å; D65-R141 IonicContact OD1-NE 2.67Å; D65-R141 PolarHBondContact OD1-NE 3.34Å; D65-R141 IonicContact OD1-NH2 2.65Å; D65-R141 PolarHBondContact OD1-NH2 2.95Å; D65-R141 IonicContact OD2-CZ 3.88Å; D65-R141 IonicContact OD2-NE 3.56Å; D65-R141 IonicContact OD2-NH2 3.44Å; D65-R141 PolarHBondContact OD2-NH2 2.84Å; H68-R141 PolarHBondContact NE2-O 2.98Å; R138-R141 HydrophobicContact CB-CB 4.4Å; R138-R141 WeakPolarHBondContact O-CB 3.22Å; R138-R141 PolarHBondContact O-N 3Å; E139-R141 PolarHBondContact O-N 2.96Å; E139-R141 VanDerWaalsContact O-N 3.12Å
142W97.6Very high94.2Very high31 Ų3161.6 Ų61.612%0.11731%0.309CS..THydrogen-bonded Turntrans-119.9-29.9-170.7-46.8-60.7000113.3E64 D65 F67 H68 A110 R138 E139 S140E64-W142 VanDerWaalsContact CA-CZ2 3.47Å; E64-W142 HydrophobicContact CB-CH2 4.48Å; E64-W142 HydrophobicContact CB-CZ2 3.84Å; E64-W142 HydrophobicContact CG-CH2 4.37Å; E64-W142 HydrophobicContact CG-CZ2 4.15Å; E64-W142 PolarHBondContact O-NE1 2.74Å; D65-W142 PolarHBondContact OD1-NE1 2.95Å; F67-W142 HydrophobicContact CB-CB 3.72Å; F67-W142 HydrophobicContact CB-CG 4.09Å; F67-W142 HydrophobicContact CD2-CB 4.1Å; F67-W142 HydrophobicContact CD2-CD2 4.13Å; F67-W142 HydrophobicContact CD2-CE3 4.19Å; F67-W142 HydrophobicContact CD2-CG 4.08Å; F67-W142 HydrophobicContact CG-CB 4.32Å; H68-W142 AromaticContact NE2-CD1 3.58Å; A110-W142 VanDerWaalsContact CB-O 3.3Å; A110-W142 WeakPolarHBondContact CB-O 3.37Å; R138-W142 HydrophobicContact CB-CH2 4.23Å; E139-W142 PolarHBondContact O-N 2.83Å; S140-W142 PolarHBondContact O-N 2.92Å
143F98.6Very high94.2Very high6 Ų664.9 Ų64.93%0.02633%0.326CS..  trans-123.4158.3-173.3-57.5-65000111.7L56 F67 P103 A110 N112 L131 E139L56-F143 HydrophobicContact CD1-CE2 4Å; L56-F143 HydrophobicContact CD1-CZ 4.05Å; L56-F143 HydrophobicContact CD2-CZ 4.5Å; F67-F143 HydrophobicContact CB-CE1 4.48Å; F67-F143 HydrophobicContact CB-CZ 4.21Å; F67-F143 HydrophobicContact CD1-CE1 4.16Å; F67-F143 AromaticContact CD1-CZ 3.59Å; F67-F143 HydrophobicContact CD1-CZ 3.59Å; F67-F143 AromaticContact CD2-CE2 3.79Å; F67-F143 HydrophobicContact CD2-CE2 3.79Å; F67-F143 AromaticContact CD2-CZ 3.61Å; F67-F143 HydrophobicContact CD2-CZ 3.61Å; F67-F143 AromaticContact CE1-CZ 3.76Å; F67-F143 HydrophobicContact CE1-CZ 3.76Å; F67-F143 AromaticContact CE2-CE2 3.84Å; F67-F143 HydrophobicContact CE2-CE2 3.84Å; F67-F143 AromaticContact CE2-CZ 3.75Å; F67-F143 HydrophobicContact CE2-CZ 3.75Å; F67-F143 HydrophobicContact CG-CE1 4.2Å; F67-F143 HydrophobicContact CG-CE2 4.17Å; F67-F143 AromaticContact CG-CZ 3.54Å; F67-F143 HydrophobicContact CG-CZ 3.54Å; F67-F143 HydrophobicContact CZ-CE2 4.28Å; F67-F143 AromaticContact CZ-CZ 3.84Å; F67-F143 HydrophobicContact CZ-CZ 3.84Å; P103-F143 HydrophobicContact CB-CE1 3.85Å; P103-F143 HydrophobicContact CB-CZ 4.26Å; A110-F143 HydrophobicContact CB-CD1 4.1Å; A110-F143 WeakPolarHBondContact O-CA 3.45Å; N112-F143 HydrophobicContact CB-CD1 4.25Å; N112-F143 HydrophobicContact CB-CD2 4.12Å; N112-F143 HydrophobicContact CB-CE1 4.43Å; N112-F143 HydrophobicContact CB-CE2 4.29Å; N112-F143 HydrophobicContact CB-CG 4.09Å; N112-F143 HydrophobicContact CB-CZ 4.43Å; L131-F143 HydrophobicContact CD1-CB 4Å; L131-F143 VanDerWaalsContact CD1-O 3.23Å; L131-F143 WeakPolarHBondContact CD1-O 3.28Å; L131-F143 HydrophobicContact CD2-CB 4.26Å; E139-F143 HydrophobicContact CB-CD2 4.41Å; E139-F143 PolarHBondContact O-N 2.78Å
144T98.4Very high94.4Very high65 Ų6567.2 Ų67.240%0.39934%0.338SS..  trans-108.8135.4169.5-59.80000109.2V109 A110 Y111V109-T144 HydrophobicContact CG1-CG2 4.09Å; V109-T144 WeakPolarHBondContact CG1-OG1 3.43Å; A110-T144 PolarHBondContact O-N 2.81Å; Y111-T144 WeakPolarHBondContact CD1-O 3.41Å; Y111-T144 HydrophobicContact CE1-CG2 4.45Å; Y111-T144 WeakPolarHBondContact CE1-O 3.11Å
145P97.9Very high94.9Very high57 Ų5760.1 Ų60.137%0.3731%0.305SS..  trans-64.4142.717226.3-32.4000109.9L129 L131 P147L129-P145 WeakPolarHBondContact O-CB 3.5Å; L131-P145 HydrophobicContact CG-CB 4.14Å; P145-P147 VanDerWaalsContact O-CD 3.25Å; P145-P147 WeakPolarHBondContact O-CD 3.15Å
146W97.1Very high95.4Very high8 Ų865.8 Ų65.83%0.0332%0.323CS..  trans-67.8115.9174.6178.2-111.3000111L106 Y111 P127 K128 L129 H148 I153 F174L106-W146 HydrophobicContact CD2-CZ3 3.99Å; Y111-W146 AromaticContact CE1-CE3 3.91Å; Y111-W146 HydrophobicContact CE1-CE3 3.91Å; P127-W146 HydrophobicContact CB-CB 3.89Å; P127-W146 HydrophobicContact CB-CG 4.33Å; P127-W146 HydrophobicContact CG-CB 3.54Å; P127-W146 HydrophobicContact CG-CD2 3.69Å; P127-W146 HydrophobicContact CG-CE3 4.07Å; P127-W146 HydrophobicContact CG-CG 3.47Å; P127-W146 VanDerWaalsContact CG-CG 3.47Å; K128-W146 PolarHBondContact O-N 2.69Å; L129-W146 HydrophobicContact CD2-CB 3.89Å; L129-W146 HydrophobicContact CD2-CG 4.2Å; W146-H148 VanDerWaalsContact C-N 3.31Å; W146-H148 AromaticContact CH2-CD2 3.95Å; W146-H148 HydrophobicContact CZ2-CB 3.78Å; W146-H148 AromaticContact CZ2-CD2 3.94Å; W146-H148 PolarHBondContact NE1-O 2.93Å; W146-H148 PolarHBondContact O-N 2.68Å; W146-I153 HydrophobicContact CH2-CD1 3.91Å; W146-I153 HydrophobicContact CH2-CG1 4.16Å; W146-F174 HydrophobicContact CD2-CE1 4.31Å; W146-F174 HydrophobicContact CE3-CD1 4.43Å; W146-F174 AromaticContact CE3-CE1 3.67Å; W146-F174 HydrophobicContact CE3-CE1 3.67Å; W146-F174 AromaticContact CH2-CD1 3.96Å; W146-F174 HydrophobicContact CH2-CD1 3.96Å; W146-F174 AromaticContact CH2-CE1 3.97Å; W146-F174 HydrophobicContact CH2-CE1 3.97Å; W146-F174 HydrophobicContact CZ2-CD1 4.41Å; W146-F174 AromaticContact CZ3-CD1 3.98Å; W146-F174 HydrophobicContact CZ3-CD1 3.98Å; W146-F174 AromaticContact CZ3-CE1 3.5Å; W146-F174 HydrophobicContact CZ3-CE1 3.5Å; W146-F174 VanDerWaalsContact CZ3-CE1 3.5Å
147P92.6Very high95.7Very high82 Ų8264.6 Ų64.653%0.53232%0.316SS..  trans-81.6-11.3-17033-35.8000113.3P145P145-P147 VanDerWaalsContact O-CD 3.25Å; P145-P147 WeakPolarHBondContact O-CD 3.15Å
148H90.6Very high95.9Very high85 Ų8565.4 Ų65.439%0.39432%0.324SS..  trans-107.571.5-170.5-58.9-48.5000111.3W146 Q150 R151W146-H148 VanDerWaalsContact C-N 3.31Å; W146-H148 AromaticContact CH2-CD2 3.95Å; W146-H148 HydrophobicContact CZ2-CB 3.78Å; W146-H148 AromaticContact CZ2-CD2 3.94Å; W146-H148 PolarHBondContact NE1-O 2.93Å; W146-H148 PolarHBondContact O-N 2.68Å; H148-Q150 PolarHBondContact O-N 2.97Å; H148-R151 HydrophobicContact CB-CB 4.01Å; H148-R151 HydrophobicContact CB-CG 4.48Å; H148-R151 PolarHBondContact O-N 2.74Å
149H90.4Very high96.1Very high103 Ų10367.6 Ų67.648%0.47734%0.337SS..THydrogen-bonded Turntrans-54.4140.5176.2-66.5-161000110.4R151H149-R151 PolarHBondContact O-N 2.88Å
150Q91.5Very high96.1Very high40 Ų4070.9 Ų70.919%0.18735%0.354CS..THydrogen-bonded Turntrans53.138.7179.8-5617211.600113.6H148 D176 S331 Y333 P334H148-Q150 PolarHBondContact O-N 2.97Å; Q150-D176 WeakPolarHBondContact CA-O 3.2Å; Q150-D176 PolarHBondContact N-OD2 3.4Å; Q150-S331 PolarHBondContact OE1-O 2.97Å; Q150-S331 PolarHBondContact OE1-OG 3.21Å; Q150-Y333 HydrophobicContact CB-CD1 4.45Å; Q150-Y333 HydrophobicContact CG-CD1 3.85Å; Q150-Y333 HydrophobicContact CG-CD2 3.95Å; Q150-Y333 HydrophobicContact CG-CE1 3.74Å; Q150-Y333 HydrophobicContact CG-CE2 3.84Å; Q150-Y333 HydrophobicContact CG-CG 3.96Å; Q150-P334 VanDerWaalsContact C-CD 3.46Å; Q150-P334 VanDerWaalsContact O-CD 3.29Å; Q150-P334 WeakPolarHBondContact O-CD 3.48Å
151R92.6Very high96.1Very high149 Ų14967.4 Ų67.456%0.56233%0.329SS*.  trans-137.2148.4174.3-65.7-174.5179.6-176.2-0.4110.4H148 H149 G175 D176H148-R151 HydrophobicContact CB-CB 4.01Å; H148-R151 HydrophobicContact CB-CG 4.48Å; H148-R151 PolarHBondContact O-N 2.74Å; H149-R151 PolarHBondContact O-N 2.88Å; R151-G175 CarbonylContact O-C 3.46Å; R151-G175 WeakPolarHBondContact O-CA 3.2Å; R151-D176 PolarHBondContact O-N 3.17Å
152I95.1Very high96.1Very high71 Ų7165.3 Ų65.336%0.36432%0.321SS..EExtended strand (participates in β ladder)trans-124.9152.9172.154.2166.4000110.5F174 A177 P334I152-F174 CarbonylContact C-O 3.58Å; I152-F174 VanDerWaalsContact CA-O 3.23Å; I152-F174 WeakPolarHBondContact CA-O 3.29Å; I152-A177 HydrophobicContact CG2-CB 3.7Å; I152-P334 HydrophobicContact CD1-CB 4.14Å; I152-P334 HydrophobicContact CG1-CB 3.9Å; I152-P334 HydrophobicContact CG1-CG 4.22Å; I152-P334 HydrophobicContact CG2-CB 4.34Å; I152-P334 HydrophobicContact CG2-CG 3.91Å
153I96.6Very high96.1Very high72 Ų7270.7 Ų70.737%0.36935%0.345SS..EExtended strand (participates in β ladder)trans-130.6169.4169.561.3168.5000109L106 W146 F174L106-I153 HydrophobicContact CD1-CD1 4.49Å; L106-I153 HydrophobicContact CD2-CD1 3.78Å; W146-I153 HydrophobicContact CH2-CD1 3.91Å; W146-I153 HydrophobicContact CH2-CG1 4.16Å; I153-F174 HydrophobicContact CD1-CD1 4.4Å; I153-F174 HydrophobicContact CG1-CB 4.19Å; I153-F174 HydrophobicContact CG1-CD1 4.23Å; I153-F174 PolarHBondContact N-O 3.06Å; I153-F174 PolarHBondContact O-N 3.1Å
154D97.5Very high96Very high125 Ų12571.5 Ų71.567%0.66835%0.351SS*.EExtended strand (participates in β ladder)trans-80.6134.9169.8-68.1-18.7000110.1
155F98.1Very high96Very high12 Ų1268.8 Ų68.85%0.05333%0.334CS..EExtended strand (participates in β ladder)trans-115.1123.6173.2179.6-81.7000109.8W77 V104 L106 I125 L157 V171 A172 F174W77-F155 HydrophobicContact CH2-CE1 4.03Å; W77-F155 AromaticContact CZ2-CE1 3.67Å; W77-F155 HydrophobicContact CZ2-CE1 3.67Å; W77-F155 AromaticContact CZ2-CZ 3.84Å; W77-F155 HydrophobicContact CZ2-CZ 3.84Å; V104-F155 HydrophobicContact CG1-CD2 4.48Å; V104-F155 HydrophobicContact CG1-CE2 3.51Å; V104-F155 HydrophobicContact CG1-CZ 3.54Å; L106-F155 HydrophobicContact CB-CD2 4.39Å; L106-F155 HydrophobicContact CB-CE2 4.1Å; L106-F155 HydrophobicContact CD1-CD2 3.94Å; L106-F155 HydrophobicContact CD1-CE2 4.24Å; I125-F155 HydrophobicContact CD1-CB 4.37Å; I125-F155 HydrophobicContact CD1-CD1 3.52Å; I125-F155 HydrophobicContact CD1-CE1 3.91Å; I125-F155 HydrophobicContact CD1-CG 3.91Å; F155-L157 HydrophobicContact CD1-CD2 4.26Å; F155-L157 HydrophobicContact CE1-CD2 4.48Å; F155-L157 PolarHBondContact O-N 3.28Å; F155-V171 CarbonylContact O-C 3.51Å; F155-V171 VanDerWaalsContact O-CA 3.23Å; F155-V171 WeakPolarHBondContact O-CA 3.34Å; F155-A172 PolarHBondContact N-O 3.4Å; F155-A172 PolarHBondContact O-N 3.46Å; F155-F174 HydrophobicContact CB-CB 3.57Å; F155-F174 HydrophobicContact CB-CD2 4.16Å; F155-F174 HydrophobicContact CB-CG 4.21Å; F155-F174 HydrophobicContact CD2-CB 4.45Å; F155-F174 AromaticContact CD2-CD2 3.53Å; F155-F174 HydrophobicContact CD2-CD2 3.53Å; F155-F174 HydrophobicContact CD2-CE2 4.05Å; F155-F174 HydrophobicContact CD2-CG 4.18Å; F155-F174 HydrophobicContact CE2-CD2 4.23Å; F155-F174 HydrophobicContact CE2-CE2 4.34Å; F155-F174 HydrophobicContact CG-CB 4.36Å; F155-F174 HydrophobicContact CG-CD2 4.02Å
156E97.9Very high95.7Very high150 Ų15071.7 Ų71.770%0.70134%0.341SS*.EExtended strand (participates in β ladder)trans-72.5117.4176.5-65.6-172.4-177.700110.7V171E156-V171 HydrophobicContact CG-CG1 4.39Å
157L98.3Very high95.5Very high2 Ų278.6 Ų78.61%0.0138%0.379CS..PPolyproline II helixtrans-70.7138.4179.2-68.9174.5000110.4W77 V122 I125 F155 V161 R162 T165 Q169 S170 A172W77-L157 HydrophobicContact CH2-CD2 4.15Å; W77-L157 HydrophobicContact CZ3-CD2 4.37Å; V122-L157 HydrophobicContact CB-CD1 4.18Å; V122-L157 HydrophobicContact CB-CD2 4.39Å; V122-L157 HydrophobicContact CG1-CD2 4.31Å; V122-L157 HydrophobicContact CG2-CD1 3.96Å; V122-L157 HydrophobicContact CG2-CD2 4.17Å; I125-L157 HydrophobicContact CD1-CD2 4.3Å; F155-L157 HydrophobicContact CD1-CD2 4.26Å; F155-L157 HydrophobicContact CE1-CD2 4.48Å; F155-L157 PolarHBondContact O-N 3.28Å; L157-V161 HydrophobicContact CB-CG1 4.41Å; L157-V161 HydrophobicContact CD1-CG1 4.23Å; L157-V161 HydrophobicContact CD2-CG1 4.36Å; L157-R162 HydrophobicContact CB-CG 3.89Å; L157-R162 WeakPolarHBondContact O-CD 3.34Å; L157-R162 WeakPolarHBondContact O-CG 3.41Å; L157-T165 HydrophobicContact CD1-CG2 4.42Å; L157-Q169 HydrophobicContact CD1-CB 4.31Å; L157-Q169 HydrophobicContact CD1-CG 3.89Å; L157-S170 PolarHBondContact N-O 2.97Å; L157-A172 HydrophobicContact CD1-CB 4.29Å; L157-A172 HydrophobicContact CD2-CB 4.04Å; L157-A172 HydrophobicContact CG-CB 4.22Å
158P97.4Very high95.6Very high39 Ų3978.6 Ų78.625%0.25338%0.38SS..PPolyproline II helixtrans-59.2150.1175.6-24.334.3000112W77 I160 V161 R162W77-P158 HydrophobicContact CD2-CG 3.72Å; W77-P158 HydrophobicContact CE3-CG 4.33Å; W77-P158 HydrophobicContact CG-CG 3.84Å; W77-P158 HydrophobicContact CZ2-CG 4.17Å; P158-I160 HydrophobicContact CB-CG2 4.38Å; P158-I160 PolarHBondContact O-N 3.37Å; P158-I160 VanDerWaalsContact O-N 3.12Å; P158-V161 WeakPolarHBondContact O-CB 3.4Å; P158-V161 PolarHBondContact O-N 3.47Å; P158-R162 PolarHBondContact O-N 3.14Å
159E97Very high95.9Very high110 Ų11076.3 Ų76.351%0.51437%0.37SS..Hα-helixtrans-52.8-40.4-175.5-171.2-171.4155.500113.4V161 R162 K163E159-V161 PolarHBondContact O-N 3Å; E159-R162 PolarHBondContact O-N 3.19Å; E159-K163 HydrophobicContact CG-CD 4.48Å; E159-K163 WeakPolarHBondContact O-CG 3.23Å; E159-K163 PolarHBondContact O-N 3.49Å; E159-K163 VanDerWaalsContact O-N 3.1Å; E159-K163 WeakPolarHBondContact OE1-CE 3.5Å; E159-K163 IonicContact OE1-NZ 2.62Å; E159-K163 PolarHBondContact OE1-NZ 2.76Å
160I97.7Very high96.2Very high71 Ų7174.6 Ų74.636%0.36437%0.37SS..Hα-helixtrans-60.6-33.9179.3-164.6171.7000112.6W77 Q78 A81 P158W77-I160 HydrophobicContact CB-CG2 4.38Å; Q78-I160 HydrophobicContact CB-CD1 4.29Å; Q78-I160 HydrophobicContact CG-CD1 3.67Å; A81-I160 HydrophobicContact CB-CD1 4.29Å; A81-I160 HydrophobicContact CB-CG1 3.86Å; A81-I160 HydrophobicContact CB-CG2 4.44Å; P158-I160 HydrophobicContact CB-CG2 4.38Å; P158-I160 PolarHBondContact O-N 3.37Å; P158-I160 VanDerWaalsContact O-N 3.12Å
161V98.1Very high96.5Very high0 Ų075.4 Ų75.40%038%0.377CS..Hα-helixtrans-79.4-45177176.70000110.4W77 I80 L84 V122 L157 P158 E159 K163 V164 T165W77-V161 HydrophobicContact CD2-CG2 4.35Å; W77-V161 HydrophobicContact CE3-CG2 3.5Å; W77-V161 VanDerWaalsContact CE3-CG2 3.5Å; W77-V161 HydrophobicContact CZ3-CG2 3.98Å; I80-V161 HydrophobicContact CG2-CG2 4.35Å; L84-V161 HydrophobicContact CD1-CG1 3.76Å; V122-V161 HydrophobicContact CG2-CG1 4.2Å; L157-V161 HydrophobicContact CB-CG1 4.41Å; L157-V161 HydrophobicContact CD1-CG1 4.23Å; L157-V161 HydrophobicContact CD2-CG1 4.36Å; P158-V161 WeakPolarHBondContact O-CB 3.4Å; P158-V161 PolarHBondContact O-N 3.47Å; E159-V161 PolarHBondContact O-N 3Å; V161-K163 PolarHBondContact O-N 3.13Å; V161-K163 VanDerWaalsContact O-N 3.13Å; V161-V164 VanDerWaalsContact O-CG2 3.22Å; V161-V164 WeakPolarHBondContact O-CG2 3.3Å; V161-V164 PolarHBondContact O-N 3.12Å; V161-T165 HydrophobicContact CG1-CG2 3.66Å; V161-T165 WeakPolarHBondContact O-CG2 3.42Å; V161-T165 PolarHBondContact O-N 3.04Å; V161-T165 PolarHBondContact O-OG1 2.98Å
162R97.9Very high96.7Very high93 Ų9368.6 Ų68.635%0.35135%0.352SS..Hα-helixtrans-54.7-35.9178.5-61.2-165.4-66.5-142.1-0.5112.6L157 P158 E159 V164 T165 S168 Q169L157-R162 HydrophobicContact CB-CG 3.89Å; L157-R162 WeakPolarHBondContact O-CD 3.34Å; L157-R162 WeakPolarHBondContact O-CG 3.41Å; P158-R162 PolarHBondContact O-N 3.14Å; E159-R162 PolarHBondContact O-N 3.19Å; R162-V164 VanDerWaalsContact C-N 3.27Å; R162-V164 PolarHBondContact O-N 2.68Å; R162-T165 WeakPolarHBondContact CA-OG1 3.05Å; R162-T165 PolarHBondContact O-OG1 2.62Å; R162-T165 VanDerWaalsContact O-OG1 3.11Å; R162-S168 VanDerWaalsContact O-CA 3.3Å; R162-S168 WeakPolarHBondContact O-CA 3.45Å; R162-Q169 WeakPolarHBondContact CG-O 3.48Å
163K96.9Very high96.9Very high144 Ų14466.1 Ų66.163%0.62634%0.343SS*.THydrogen-bonded Turntrans-64.2-28178.3-76.8175.1179.6168.60114E159 V161E159-K163 HydrophobicContact CG-CD 4.48Å; E159-K163 WeakPolarHBondContact O-CG 3.23Å; E159-K163 PolarHBondContact O-N 3.49Å; E159-K163 VanDerWaalsContact O-N 3.1Å; E159-K163 WeakPolarHBondContact OE1-CE 3.5Å; E159-K163 IonicContact OE1-NZ 2.62Å; E159-K163 PolarHBondContact OE1-NZ 2.76Å; V161-K163 PolarHBondContact O-N 3.13Å; V161-K163 VanDerWaalsContact O-N 3.13Å
164V97Very high97Very high23 Ų2362.7 Ų62.714%0.13933%0.325CS..THydrogen-bonded Turntrans-110.3-17.3-173.1-580000113.2A81 L84 N85 N88 V161 R162A81-V164 HydrophobicContact CB-CG2 4.05Å; L84-V164 HydrophobicContact CB-CG2 3.8Å; L84-V164 HydrophobicContact CD1-CG2 3.96Å; N85-V164 VanDerWaalsContact OD1-CB 3.24Å; N85-V164 WeakPolarHBondContact OD1-CB 3.49Å; N85-V164 WeakPolarHBondContact OD1-CG1 3.4Å; N88-V164 PolarHBondContact ND2-O 2.8Å; V161-V164 VanDerWaalsContact O-CG2 3.22Å; V161-V164 WeakPolarHBondContact O-CG2 3.3Å; V161-V164 PolarHBondContact O-N 3.12Å; R162-V164 VanDerWaalsContact C-N 3.27Å; R162-V164 PolarHBondContact O-N 2.68Å
165T97.1Very high97Very high8 Ų856.7 Ų56.75%0.04929%0.293CS..SBendtrans-67.3149.3174.848.80000112.5L84 G120 V122 L157 V161 R162 N167 S168 Q169L84-T165 HydrophobicContact CD1-CG2 3.87Å; G120-T165 CarbonylContact O-C 3.47Å; G120-T165 WeakPolarHBondContact O-CA 3.43Å; G120-T165 WeakPolarHBondContact O-CB 3.43Å; V122-T165 HydrophobicContact CG2-CG2 4.14Å; L157-T165 HydrophobicContact CD1-CG2 4.42Å; V161-T165 HydrophobicContact CG1-CG2 3.66Å; V161-T165 WeakPolarHBondContact O-CG2 3.42Å; V161-T165 PolarHBondContact O-N 3.04Å; V161-T165 PolarHBondContact O-OG1 2.98Å; R162-T165 WeakPolarHBondContact CA-OG1 3.05Å; R162-T165 PolarHBondContact O-OG1 2.62Å; R162-T165 VanDerWaalsContact O-OG1 3.11Å; T165-N167 PolarHBondContact O-N 2.86Å; T165-S168 PolarHBondContact O-N 2.86Å; T165-S168 VanDerWaalsContact O-N 3.07Å; T165-Q169 HydrophobicContact CG2-CB 4.35Å; T165-Q169 PolarHBondContact OG1-N 3.47Å; T165-Q169 VanDerWaalsContact OG1-N 3.13Å
166K92.2Very high96.9Very high118 Ų11856.2 Ų56.251%0.51329%0.291SS..G310 helixtrans-55.3133.4172.6-171.8177.1-177.71780110.3G120 S168 Q169G120-K166 PolarHBondContact O-N 2.67Å; K166-S168 PolarHBondContact O-N 2.98Å; K166-S168 VanDerWaalsContact O-N 3.09Å; K166-Q169 PolarHBondContact O-N 3.16Å
167N92.9Very high96.9Very high154 Ų15449.2 Ų49.282%0.82426%0.259SS*.G310 helixtrans54.323.8-177.5-55.8-29.2000114.4T165 Q169T165-N167 PolarHBondContact O-N 2.86Å; N167-Q169 VanDerWaalsContact C-N 3.31Å; N167-Q169 PolarHBondContact O-N 2.75Å
168S94.1Very high96.8Very high81 Ų8149.2 Ų49.257%0.56626%0.259SS*.G310 helixtrans52.446.7-178.6-56.30000113.7R162 T165 K166 S170R162-S168 VanDerWaalsContact O-CA 3.3Å; R162-S168 WeakPolarHBondContact O-CA 3.45Å; T165-S168 PolarHBondContact O-N 2.86Å; T165-S168 VanDerWaalsContact O-N 3.07Å; K166-S168 PolarHBondContact O-N 2.98Å; K166-S168 VanDerWaalsContact O-N 3.09Å; S168-S170 PolarHBondContact O-N 3.33Å; S168-S170 VanDerWaalsContact O-N 3.15Å
169Q97.3Very high96.8Very high37 Ų3747.3 Ų47.317%0.17325%0.246CC..  trans-43.9119.3178.4-176.8-176.7-0.500111.4T121 V122 L157 R162 T165 K166 N167 V171T121-Q169 VanDerWaalsContact CG2-OE1 3.3Å; V122-Q169 PolarHBondContact O-NE2 3.29Å; L157-Q169 HydrophobicContact CD1-CB 4.31Å; L157-Q169 HydrophobicContact CD1-CG 3.89Å; R162-Q169 WeakPolarHBondContact CG-O 3.48Å; T165-Q169 HydrophobicContact CG2-CB 4.35Å; T165-Q169 PolarHBondContact OG1-N 3.47Å; T165-Q169 VanDerWaalsContact OG1-N 3.13Å; K166-Q169 PolarHBondContact O-N 3.16Å; N167-Q169 VanDerWaalsContact C-N 3.31Å; N167-Q169 PolarHBondContact O-N 2.75Å; Q169-V171 WeakPolarHBondContact CG-O 3.4Å; Q169-V171 PolarHBondContact NE2-O 3.07Å
170S97.1Very high96.8Very high68 Ų6845.6 Ų45.648%0.47624%0.235SC..  trans-88.9-32.8-177.855.30000113.5L157 S168L157-S170 PolarHBondContact N-O 2.97Å; S168-S170 PolarHBondContact O-N 3.33Å; S168-S170 VanDerWaalsContact O-N 3.15Å
171V97.7Very high96.6Very high57 Ų5742.2 Ų42.235%0.34522%0.218SC..EExtended strand (participates in β ladder)trans-132.2149.1-175.5-65.90000111.4F155 E156 Q169F155-V171 CarbonylContact O-C 3.51Å; F155-V171 VanDerWaalsContact O-CA 3.23Å; F155-V171 WeakPolarHBondContact O-CA 3.34Å; E156-V171 HydrophobicContact CG-CG1 4.39Å; Q169-V171 WeakPolarHBondContact CG-O 3.4Å; Q169-V171 PolarHBondContact NE2-O 3.07Å
172A97.9Very high96.2Very high5 Ų544.3 Ų44.34%0.04123%0.233CC..EExtended strand (participates in β ladder)trans-128.8156.2171.100000110.4V122 I125 F155 L157V122-A172 HydrophobicContact CB-CB 4.06Å; V122-A172 HydrophobicContact CG1-CB 3.79Å; I125-A172 HydrophobicContact CD1-CB 4.44Å; F155-A172 PolarHBondContact N-O 3.4Å; F155-A172 PolarHBondContact O-N 3.46Å; L157-A172 HydrophobicContact CD1-CB 4.29Å; L157-A172 HydrophobicContact CD2-CB 4.04Å; L157-A172 HydrophobicContact CG-CB 4.22Å
173A98.1Very high95.1Very high19 Ų1940.2 Ų40.216%0.15722%0.219CC..EExtended strand (participates in β ladder)trans-67.6134.8173.300000110.1L124 I125 V336L124-A173 CarbonylContact C-O 3.58Å; L124-A173 WeakPolarHBondContact CA-O 3.4Å; L124-A173 HydrophobicContact CD1-CB 4.12Å; I125-A173 PolarHBondContact N-O 3.25Å; A173-V336 HydrophobicContact CB-CG2 4.12Å
174F98.4Very high93.6Very high0 Ų039.2 Ų39.20%022%0.221CC..EExtended strand (participates in β ladder)trans-128.2127.6176.2-177.3-73.8000110.6V104 L106 Y111 I125 P127 W146 I152 I153 F155V104-F174 HydrophobicContact CG1-CE2 4.05Å; L106-F174 HydrophobicContact CB-CZ 4.38Å; L106-F174 HydrophobicContact CD2-CD1 3.85Å; L106-F174 HydrophobicContact CD2-CE1 3.52Å; L106-F174 HydrophobicContact CD2-CE2 4.43Å; L106-F174 HydrophobicContact CD2-CG 4.46Å; L106-F174 HydrophobicContact CD2-CZ 3.86Å; Y111-F174 AromaticContact CD2-CZ 3.96Å; Y111-F174 HydrophobicContact CD2-CZ 3.96Å; Y111-F174 HydrophobicContact CE2-CZ 4.45Å; Y111-F174 HydrophobicContact CG-CZ 4.16Å; I125-F174 HydrophobicContact CB-CB 4.38Å; I125-F174 HydrophobicContact CB-CD2 3.64Å; I125-F174 HydrophobicContact CB-CE2 4.33Å; I125-F174 HydrophobicContact CB-CG 4.34Å; I125-F174 HydrophobicContact CD1-CD2 4.39Å; I125-F174 HydrophobicContact CG2-CD2 3.28Å; I125-F174 HydrophobicContact CG2-CE2 3.46Å; I125-F174 VanDerWaalsContact CG2-CE2 3.46Å; I125-F174 HydrophobicContact CG2-CG 4.32Å; I125-F174 VanDerWaalsContact O-CA 3.28Å; I125-F174 WeakPolarHBondContact O-CA 3.22Å; P127-F174 HydrophobicContact CB-CE1 4.09Å; P127-F174 HydrophobicContact CB-CZ 3.86Å; P127-F174 HydrophobicContact CG-CD1 4.28Å; P127-F174 HydrophobicContact CG-CE1 3.61Å; P127-F174 HydrophobicContact CG-CZ 3.88Å; W146-F174 HydrophobicContact CD2-CE1 4.31Å; W146-F174 HydrophobicContact CE3-CD1 4.43Å; W146-F174 AromaticContact CE3-CE1 3.67Å; W146-F174 HydrophobicContact CE3-CE1 3.67Å; W146-F174 AromaticContact CH2-CD1 3.96Å; W146-F174 HydrophobicContact CH2-CD1 3.96Å; W146-F174 AromaticContact CH2-CE1 3.97Å; W146-F174 HydrophobicContact CH2-CE1 3.97Å; W146-F174 HydrophobicContact CZ2-CD1 4.41Å; W146-F174 AromaticContact CZ3-CD1 3.98Å; W146-F174 HydrophobicContact CZ3-CD1 3.98Å; W146-F174 AromaticContact CZ3-CE1 3.5Å; W146-F174 HydrophobicContact CZ3-CE1 3.5Å; W146-F174 VanDerWaalsContact CZ3-CE1 3.5Å; I152-F174 CarbonylContact C-O 3.58Å; I152-F174 VanDerWaalsContact CA-O 3.23Å; I152-F174 WeakPolarHBondContact CA-O 3.29Å; I153-F174 HydrophobicContact CD1-CD1 4.4Å; I153-F174 HydrophobicContact CG1-CB 4.19Å; I153-F174 HydrophobicContact CG1-CD1 4.23Å; I153-F174 PolarHBondContact N-O 3.06Å; I153-F174 PolarHBondContact O-N 3.1Å; F155-F174 HydrophobicContact CB-CB 3.57Å; F155-F174 HydrophobicContact CB-CD2 4.16Å; F155-F174 HydrophobicContact CB-CG 4.21Å; F155-F174 HydrophobicContact CD2-CB 4.45Å; F155-F174 AromaticContact CD2-CD2 3.53Å; F155-F174 HydrophobicContact CD2-CD2 3.53Å; F155-F174 HydrophobicContact CD2-CE2 4.05Å; F155-F174 HydrophobicContact CD2-CG 4.18Å; F155-F174 HydrophobicContact CE2-CD2 4.23Å; F155-F174 HydrophobicContact CE2-CE2 4.34Å; F155-F174 HydrophobicContact CG-CB 4.36Å; F155-F174 HydrophobicContact CG-CD2 4.02Å
175G97.7Very high91.6Very high0 Ų042.4 Ų42.40%026%0.258CS..EExtended strand (participates in β ladder)trans135.1-157177.700000113.2I125 R126 R151I125-G175 PolarHBondContact O-N 3.4Å; R126-G175 WeakPolarHBondContact CD-O 3.5Å; R151-G175 CarbonylContact O-C 3.46Å; R151-G175 WeakPolarHBondContact O-CA 3.2Å
176D97.2Very high89.7Confident2 Ų247.1 Ų47.11%0.01128%0.276CS..SBendtrans-100.8101.8-170.8-175.937.6000111.7R126 L129 Q150 R151 Y333 P334R126-D176 IonicContact CZ-OD1 3.45Å; R126-D176 IonicContact NE-OD1 3.71Å; R126-D176 PolarHBondContact NE-OD1 2.87Å; R126-D176 IonicContact NH2-OD1 3.52Å; R126-D176 PolarHBondContact NH2-OD1 2.63Å; L129-D176 HydrophobicContact CD2-CB 4.17Å; Q150-D176 WeakPolarHBondContact CA-O 3.2Å; Q150-D176 PolarHBondContact N-OD2 3.4Å; R151-D176 PolarHBondContact O-N 3.17Å; D176-Y333 WeakPolarHBondContact OD2-CE1 3.04Å; D176-P334 VanDerWaalsContact O-CD 3.31Å; D176-P334 WeakPolarHBondContact O-CD 3.38Å; D176-P334 WeakPolarHBondContact O-CG 3.34Å
177A96.6Very high88.1Confident2 Ų247 Ų472%0.01729%0.289CS..  trans-140.1159.2-171.700000113.5L124 I152 P334 V336L124-A177 HydrophobicContact CD1-CB 4.25Å; L124-A177 HydrophobicContact CD2-CB 4.23Å; I152-A177 HydrophobicContact CG2-CB 3.7Å; A177-P334 WeakPolarHBondContact CA-O 3.23Å; A177-P334 HydrophobicContact CB-CB 4.45Å; A177-P334 HydrophobicContact CB-CG 3.97Å; A177-P334 WeakPolarHBondContact CB-O 3.33Å; A177-V336 HydrophobicContact CB-CG2 4.03Å
178I96.6Very high87Confident2 Ų242.8 Ų42.81%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-94.7140.3169.2-65.2168.3000109Q191 A213 V215 Y333 P334 V335 V336I178-Q191 HydrophobicContact CG2-CB 4.08Å; I178-A213 HydrophobicContact CD1-CB 3.68Å; I178-V215 HydrophobicContact CB-CG2 4.34Å; I178-V215 HydrophobicContact CD1-CG2 3.45Å; I178-V215 VanDerWaalsContact CD1-CG2 3.45Å; I178-V215 HydrophobicContact CG1-CG2 3.59Å; I178-V215 HydrophobicContact CG2-CG2 3.8Å; I178-Y333 HydrophobicContact CD1-CD1 4.18Å; I178-Y333 HydrophobicContact CD1-CD2 4.11Å; I178-Y333 HydrophobicContact CD1-CG 3.64Å; I178-Y333 HydrophobicContact CG1-CD1 3.91Å; I178-Y333 HydrophobicContact CG1-CG 3.9Å; I178-P334 PolarHBondContact N-O 3.45Å; I178-V335 CarbonylContact O-C 3.56Å; I178-V335 WeakPolarHBondContact O-CA 3.35Å; I178-V336 PolarHBondContact O-N 3.36Å
179L97.7Very high86.7Confident0 Ų041.6 Ų41.60%025%0.25CS..EExtended strand (participates in β ladder)trans-92.8128.3170.4-62.2145.4000109.3L116 L123 L124 F181 Q191 I192 L194 V336 V338L116-L179 HydrophobicContact CD2-CD1 3.21Å; L116-L179 HydrophobicContact CD2-CD2 4.33Å; L116-L179 HydrophobicContact CD2-CG 4.36Å; L123-L179 HydrophobicContact CB-CD2 4.49Å; L124-L179 HydrophobicContact CB-CD2 4.31Å; L124-L179 HydrophobicContact CD2-CD2 4.34Å; L124-L179 HydrophobicContact CD2-CG 4.35Å; L179-F181 HydrophobicContact CB-CD2 4.15Å; L179-F181 HydrophobicContact CB-CE2 3.44Å; L179-F181 VanDerWaalsContact CB-CE2 3.44Å; L179-F181 HydrophobicContact CB-CZ 3.98Å; L179-F181 HydrophobicContact CD1-CE2 4.36Å; L179-F181 HydrophobicContact CD1-CZ 4.43Å; L179-F181 HydrophobicContact CG-CE2 4.41Å; L179-Q191 WeakPolarHBondContact O-CA 3.41Å; L179-I192 HydrophobicContact CB-CB 4.45Å; L179-I192 PolarHBondContact N-O 3.18Å; L179-I192 PolarHBondContact O-N 2.8Å; L179-L194 HydrophobicContact CD1-CD1 4.21Å; L179-L194 HydrophobicContact CD1-CD2 4.45Å; L179-L194 HydrophobicContact CD1-CG 4.42Å; L179-V336 WeakPolarHBondContact CA-O 3.49Å; L179-V336 HydrophobicContact CD2-CB 4.09Å; L179-V336 HydrophobicContact CD2-CG1 4.11Å; L179-V338 HydrophobicContact CD2-CG2 4.03Å
180R96Very high86.5Confident73 Ų7340 Ų4028%0.27524%0.243SC..EExtended strand (participates in β ladder)trans-113.2109.4174.3-179.9-179-62.1165.52.6109.5H189 Q191 V335 V336 V338R180-H189 HydrophobicContact CG-CB 4.02Å; R180-Q191 HydrophobicContact CG-CG 4.41Å; R180-V335 HydrophobicContact CB-CG1 3.43Å; R180-V335 VanDerWaalsContact CB-CG1 3.43Å; R180-V335 HydrophobicContact CG-CG1 4.48Å; R180-V336 PolarHBondContact N-O 3.3Å; R180-V338 PolarHBondContact O-N 3.34Å
181F95.4Very high86.4Confident1 Ų137.6 Ų37.60%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-91.2115178.3-65.5-89000109.5Y50 V97 L179 H189 V190 I192 V338 F340 L342Y50-F181 HydrophobicContact CD2-CZ 4.37Å; Y50-F181 HydrophobicContact CE2-CE2 4.41Å; Y50-F181 HydrophobicContact CE2-CZ 4.15Å; V97-F181 HydrophobicContact CG1-CZ 4.48Å; V97-F181 HydrophobicContact CG2-CE1 3.54Å; V97-F181 HydrophobicContact CG2-CZ 3.9Å; L179-F181 HydrophobicContact CB-CD2 4.15Å; L179-F181 HydrophobicContact CB-CE2 3.44Å; L179-F181 VanDerWaalsContact CB-CE2 3.44Å; L179-F181 HydrophobicContact CB-CZ 3.98Å; L179-F181 HydrophobicContact CD1-CE2 4.36Å; L179-F181 HydrophobicContact CD1-CZ 4.43Å; L179-F181 HydrophobicContact CG-CE2 4.41Å; F181-H189 CarbonylContact O-C 3.26Å; F181-H189 WeakPolarHBondContact O-CA 3.38Å; F181-H189 VanDerWaalsContact O-CB 3.25Å; F181-H189 WeakPolarHBondContact O-CB 3.3Å; F181-V190 PolarHBondContact N-O 2.74Å; F181-V190 PolarHBondContact O-N 2.94Å; F181-I192 HydrophobicContact CD2-CG1 3.96Å; F181-I192 HydrophobicContact CE2-CB 4.16Å; F181-I192 HydrophobicContact CE2-CG1 3.7Å; F181-V338 WeakPolarHBondContact CA-O 3.4Å; F181-V338 HydrophobicContact CD1-CB 3.69Å; F181-V338 HydrophobicContact CD1-CG1 3.75Å; F181-V338 HydrophobicContact CD1-CG2 4.26Å; F181-V338 HydrophobicContact CE1-CB 3.84Å; F181-V338 HydrophobicContact CE1-CG1 3.68Å; F181-V338 HydrophobicContact CE1-CG2 4Å; F181-V338 HydrophobicContact CG-CB 4.34Å; F181-V338 HydrophobicContact CZ-CG2 4.32Å; F181-F340 CarbonylContact C-O 3.57Å; F181-F340 WeakPolarHBondContact CB-O 3.4Å; F181-F340 HydrophobicContact CD1-CB 4.29Å; F181-F340 HydrophobicContact CD1-CD1 4.11Å; F181-F340 HydrophobicContact CE1-CD1 4.48Å; F181-L342 HydrophobicContact CB-CB 4.34Å; F181-L342 HydrophobicContact CB-CD1 3.75Å; F181-L342 HydrophobicContact CB-CG 3.91Å; F181-L342 HydrophobicContact CD1-CD1 3.92Å; F181-L342 HydrophobicContact CD1-CG 3.87Å; F181-L342 HydrophobicContact CD2-CD1 3.23Å; F181-L342 HydrophobicContact CD2-CG 4.1Å; F181-L342 HydrophobicContact CE1-CD1 4.33Å; F181-L342 HydrophobicContact CE1-CG 4.41Å; F181-L342 HydrophobicContact CE2-CD1 3.69Å; F181-L342 HydrophobicContact CG-CD1 3.34Å; F181-L342 HydrophobicContact CG-CG 3.68Å; F181-L342 HydrophobicContact CZ-CD1 4.22Å
182S87.9Confident86.4Confident44 Ų4434.9 Ų34.931%0.30821%0.207SC..  trans-138.7121.617951.40000107.5V338 D339 F340S182-V338 PolarHBondContact N-O 2.77Å; S182-D339 VanDerWaalsContact O-CA 3.27Å; S182-D339 WeakPolarHBondContact O-CA 3.37Å; S182-F340 PolarHBondContact N-O 2.98Å; S182-F340 PolarHBondContact O-N 3.33Å
183G74.9Confident86.4Confident6 Ų634.6 Ų34.66%0.06221%0.205CC..  trans-152.9161.3-178.300000113G185 Y186G183-G185 PolarHBondContact O-N 2.71Å; G183-Y186 WeakPolarHBondContact O-CD2 3.5Å
184N66Low86.4Confident124 Ų12433.8 Ų33.866%0.66320%0.198SC*.THydrogen-bonded Turntrans64.230.2175.4-58.4-14.1000116.2Y186N184-Y186 HydrophobicContact CB-CD2 3.57Å; N184-Y186 HydrophobicContact CB-CE2 3.43Å; N184-Y186 VanDerWaalsContact CB-CE2 3.43Å; N184-Y186 WeakPolarHBondContact O-CD2 3.37Å; N184-Y186 WeakPolarHBondContact O-CE2 3.38Å; N184-Y186 PolarHBondContact O-N 3.33Å
185G54.6Low86.4Confident89 Ų8933.8 Ų33.892%0.91820%0.198SC*.THydrogen-bonded Turntrans71.38.6176.300000114.9G183G183-G185 PolarHBondContact O-N 2.71Å
186Y57.9Low86.4Confident108 Ų10833.8 Ų33.842%0.42420%0.198SC..  trans-82.8148.5177.8-61.5-67.2000112.1V11 G183 N184V11-Y186 HydrophobicContact CG2-CD1 3.9Å; V11-Y186 HydrophobicContact CG2-CE1 3.36Å; V11-Y186 HydrophobicContact CG2-CE2 4.3Å; G183-Y186 WeakPolarHBondContact O-CD2 3.5Å; N184-Y186 HydrophobicContact CB-CD2 3.57Å; N184-Y186 HydrophobicContact CB-CE2 3.43Å; N184-Y186 VanDerWaalsContact CB-CE2 3.43Å; N184-Y186 WeakPolarHBondContact O-CD2 3.37Å; N184-Y186 WeakPolarHBondContact O-CE2 3.38Å; N184-Y186 PolarHBondContact O-N 3.33Å
187S59.1Low86.4Confident114 Ų11433.9 Ų33.980%0.79720%0.199SC*.SBendtrans-78.6-22.8-178.452.90000113.5
188E68.6Low86.4Confident67 Ų6736 Ų3631%0.31321%0.209SC..  trans-88.4129.2-178.9-62.5-162.9-178.200111.6
189H87.9Confident86.4Confident56 Ų5635.9 Ų35.926%0.25921%0.208SC..  trans-115.9153.517656.2-76.1000109.6R180 F181 R302R180-H189 HydrophobicContact CG-CB 4.02Å; F181-H189 CarbonylContact O-C 3.26Å; F181-H189 WeakPolarHBondContact O-CA 3.38Å; F181-H189 VanDerWaalsContact O-CB 3.25Å; F181-H189 WeakPolarHBondContact O-CB 3.3Å; H189-R302 PolarHBondContact O-NH2 3.09Å
190V93.8Very high86.4Confident3 Ų336.1 Ų36.12%0.01821%0.209CC..EExtended strand (participates in β ladder)trans-107.4130.7171.2179.20000108.6F15 F181 I192 L298 L342F15-V190 HydrophobicContact CD1-CG1 4.33Å; F15-V190 HydrophobicContact CD1-CG2 4.22Å; F15-V190 HydrophobicContact CE1-CG1 4.25Å; F15-V190 HydrophobicContact CZ-CG1 4.46Å; F181-V190 PolarHBondContact N-O 2.74Å; F181-V190 PolarHBondContact O-N 2.94Å; V190-I192 HydrophobicContact CG1-CD1 3.78Å; V190-I192 HydrophobicContact CG1-CG1 4.35Å; V190-L298 HydrophobicContact CG2-CD1 4.33Å; V190-L298 HydrophobicContact CG2-CD2 3.97Å; V190-L342 HydrophobicContact CB-CB 4.33Å; V190-L342 HydrophobicContact CB-CD1 4.09Å; V190-L342 HydrophobicContact CG1-CD1 3.99Å; V190-L342 HydrophobicContact CG2-CB 4.25Å
191Q95.4Very high86.2Confident17 Ų1734.7 Ų34.78%0.07920%0.204CC..EExtended strand (participates in β ladder)trans-104.8125.3175.5-63.2-165.5-106.900111.5I178 L179 R180 D216 A217I178-Q191 HydrophobicContact CG2-CB 4.08Å; L179-Q191 WeakPolarHBondContact O-CA 3.41Å; R180-Q191 HydrophobicContact CG-CG 4.41Å; Q191-D216 PolarHBondContact N-OD2 3.19Å; Q191-D216 PolarHBondContact O-N 3.35Å; Q191-A217 PolarHBondContact O-N 3.09Å
192I97.6Very high86.1Confident0 Ų036.5 Ų36.50%022%0.215CC..EExtended strand (participates in β ladder)trans-114.9130.7179.5-52.7-62.6000110.1Y50 L179 F181 V190 L194 A217 L219 L342Y50-I192 HydrophobicContact CE2-CG2 4.3Å; L179-I192 HydrophobicContact CB-CB 4.45Å; L179-I192 PolarHBondContact N-O 3.18Å; L179-I192 PolarHBondContact O-N 2.8Å; F181-I192 HydrophobicContact CD2-CG1 3.96Å; F181-I192 HydrophobicContact CE2-CB 4.16Å; F181-I192 HydrophobicContact CE2-CG1 3.7Å; V190-I192 HydrophobicContact CG1-CD1 3.78Å; V190-I192 HydrophobicContact CG1-CG1 4.35Å; I192-L194 HydrophobicContact CG2-CD2 4.24Å; I192-A217 CarbonylContact C-O 3.52Å; I192-A217 WeakPolarHBondContact CA-O 3.41Å; I192-A217 HydrophobicContact CD1-CB 3.69Å; I192-L219 HydrophobicContact CG2-CD1 3.78Å; I192-L219 HydrophobicContact CG2-CG 3.95Å; I192-L342 HydrophobicContact CD1-CD1 4.3Å; I192-L342 HydrophobicContact CG1-CD1 4Å
193G97.5Very high86.3Confident0 Ų038.2 Ų38.20%024%0.24CC..EExtended strand (participates in β ladder)trans-105.8155.6168.400000111V215 A217 V218 L219G193-V215 VanDerWaalsContact N-CG1 3.28Å; G193-A217 PolarHBondContact N-O 2.83Å; G193-V218 WeakPolarHBondContact O-CA 3.38Å; G193-L219 PolarHBondContact O-N 3.34Å
194L98.3Very high87.1Confident1 Ų143.9 Ų43.91%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-123.7126-175.7-55.2176.5000109.6Y50 D99 L116 L124 R126 L179 I192 M210 L219Y50-L194 WeakPolarHBondContact OH-CD2 3.47Å; D99-L194 WeakPolarHBondContact OD2-CD2 3.1Å; L116-L194 HydrophobicContact CD1-CD1 3.5Å; L116-L194 VanDerWaalsContact CD1-CD1 3.5Å; L116-L194 HydrophobicContact CD2-CD1 4.06Å; L116-L194 HydrophobicContact CG-CD1 4.37Å; L124-L194 HydrophobicContact CD2-CD1 4.07Å; R126-L194 HydrophobicContact CB-CD1 3.98Å; R126-L194 HydrophobicContact CG-CB 4.31Å; R126-L194 HydrophobicContact CG-CD1 4.22Å; L179-L194 HydrophobicContact CD1-CD1 4.21Å; L179-L194 HydrophobicContact CD1-CD2 4.45Å; L179-L194 HydrophobicContact CD1-CG 4.42Å; I192-L194 HydrophobicContact CG2-CD2 4.24Å; L194-M210 WeakPolarHBondContact O-CE 3.23Å; L194-L219 HydrophobicContact CD2-CB 4.5Å
195E97.8Very high88.5Confident0 Ų038.6 Ų38.60%025%0.246CC..EExtended strand (participates in β ladder)trans-118.2152.5168.8-77.4-171.6155.300110.7R114 E199 P206 H207 M210 V218 L219 N220 S221 Y250R114-E195 PolarHBondContact NH1-O 3.25Å; E195-E199 WeakPolarHBondContact CA-OE2 3.4Å; E195-E199 HydrophobicContact CB-CB 4.4Å; E195-P206 HydrophobicContact CG-CB 4.18Å; E195-P206 HydrophobicContact CG-CG 4.45Å; E195-P206 VanDerWaalsContact OE1-CD 3.29Å; E195-P206 WeakPolarHBondContact OE1-CD 3.49Å; E195-H207 WeakPolarHBondContact OE1-CA 3.37Å; E195-H207 WeakPolarHBondContact OE1-CB 3.48Å; E195-H207 IonicContact OE1-CG 3.35Å; E195-H207 PolarHBondContact OE1-N 3.01Å; E195-H207 IonicContact OE1-ND1 2.86Å; E195-H207 PolarHBondContact OE1-ND1 2.81Å; E195-H207 IonicContact OE2-ND1 3.02Å; E195-H207 PolarHBondContact OE2-ND1 3.24Å; E195-M210 HydrophobicContact CG-CE 4.37Å; E195-M210 HydrophobicContact CG-SD 4.45Å; E195-V218 HydrophobicContact CB-CG1 4.17Å; E195-V218 HydrophobicContact CG-CG1 3.81Å; E195-L219 PolarHBondContact N-O 2.92Å; E195-N220 HydrophobicContact CB-CB 4.45Å; E195-N220 VanDerWaalsContact O-CA 3.27Å; E195-N220 WeakPolarHBondContact O-CA 3.27Å; E195-S221 PolarHBondContact O-N 2.89Å; E195-Y250 WeakPolarHBondContact OE2-CE2 3.22Å; E195-Y250 VanDerWaalsContact OE2-CZ 3.27Å; E195-Y250 PolarHBondContact OE2-OH 3.22Å
196T98.3Very high90.4Very high0 Ų035 Ų350%021%0.207CC..EExtended strand (participates in β ladder)trans-123.7114.4175.9-540000110.4E55 R114 K128 E198 E199 S221E55-T196 HydrophobicContact CB-CG2 4.47Å; E55-T196 HydrophobicContact CG-CG2 3.95Å; E55-T196 WeakPolarHBondContact OE1-CG2 3.46Å; R114-T196 WeakPolarHBondContact CD-OG1 3.42Å; K128-T196 HydrophobicContact CD-CG2 3.72Å; K128-T196 WeakPolarHBondContact CE-O 3.21Å; K128-T196 HydrophobicContact CG-CG2 4.09Å; T196-E198 PolarHBondContact O-N 3.45Å; T196-E199 PolarHBondContact N-OE2 2.87Å; T196-E199 WeakPolarHBondContact O-CB 3.34Å; T196-E199 WeakPolarHBondContact O-CG 3.41Å; T196-E199 PolarHBondContact O-N 3.43Å; T196-E199 VanDerWaalsContact O-N 3.09Å; T196-S221 WeakPolarHBondContact CA-O 3.06Å
197C96.7Very high92.2Very high4 Ų430.3 Ų30.33%0.02719%0.188CC..G310 helixtrans42.2-104.7171.7-156.40000115.4E55 E199 L200 N220 S221 S222E55-C197 WeakPolarHBondContact OE2-CB 3.36Å; C197-E199 PolarHBondContact O-N 3.04Å; C197-E199 VanDerWaalsContact O-N 3.07Å; C197-L200 PolarHBondContact O-N 2.96Å; C197-L200 VanDerWaalsContact O-N 3.14Å; C197-N220 PolarHBondContact N-OD1 3.01Å; C197-N220 VanDerWaalsContact N-OD1 3.14Å; C197-S221 PolarHBondContact N-O 2.89Å; C197-S222 VanDerWaalsContact CA-OG 3.27Å; C197-S222 WeakPolarHBondContact CA-OG 3.27Å
198E96.2Very high93.8Very high47 Ų4728.3 Ų28.322%0.2217%0.168CC..G310 helixtrans-54-26-176.4-163.958.5-144.500113.6V130 A132 T196 L200 W201V130-E198 HydrophobicContact CG1-CG 4.33Å; A132-E198 HydrophobicContact CB-CB 4.06Å; A132-E198 HydrophobicContact CB-CG 4.08Å; T196-E198 PolarHBondContact O-N 3.45Å; E198-L200 PolarHBondContact O-N 2.78Å; E198-W201 PolarHBondContact O-N 3.35Å; E198-W201 WeakPolarHBondContact OE1-CB 3.36Å
199E97.4Very high94.9Very high0 Ų026.8 Ų26.80%017%0.167CC..G310 helixtrans-52.9-33.1177-71.2179.9-177.600112.6R126 L129 V130 E195 T196 C197 W201 T202 P205 P206R126-E199 IonicContact CZ-OE1 2.72Å; R126-E199 IonicContact NH1-OE1 3.5Å; R126-E199 PolarHBondContact NH1-OE1 2.75Å; R126-E199 IonicContact NH1-OE2 3.35Å; R126-E199 IonicContact NH2-OE1 3.21Å; R126-E199 IonicContact NH2-OE2 3.62Å; L129-E199 WeakPolarHBondContact CB-OE1 3.36Å; L129-E199 PolarHBondContact N-OE1 2.85Å; V130-E199 HydrophobicContact CB-CG 4.11Å; V130-E199 HydrophobicContact CG2-CG 4.37Å; E195-E199 WeakPolarHBondContact CA-OE2 3.4Å; E195-E199 HydrophobicContact CB-CB 4.4Å; T196-E199 PolarHBondContact N-OE2 2.87Å; T196-E199 WeakPolarHBondContact O-CB 3.34Å; T196-E199 WeakPolarHBondContact O-CG 3.41Å; T196-E199 PolarHBondContact O-N 3.43Å; T196-E199 VanDerWaalsContact O-N 3.09Å; C197-E199 PolarHBondContact O-N 3.04Å; C197-E199 VanDerWaalsContact O-N 3.07Å; E199-W201 VanDerWaalsContact C-N 3.34Å; E199-W201 PolarHBondContact O-N 3.36Å; E199-T202 PolarHBondContact O-OG1 3.09Å; E199-P205 WeakPolarHBondContact O-CA 3.44Å; E199-P205 WeakPolarHBondContact O-CB 3.41Å; E199-P206 HydrophobicContact CB-CG 4.03Å; E199-P206 HydrophobicContact CG-CG 4.27Å; E199-P206 WeakPolarHBondContact O-CD 3.25Å
200L96.8Very high95.2Very high5 Ų524.2 Ų24.23%0.02616%0.155CC..G310 helixtrans-67.9-28.9176173.760.9000113.7C197 E198 L237 V238 A241 Y250C197-L200 PolarHBondContact O-N 2.96Å; C197-L200 VanDerWaalsContact O-N 3.14Å; E198-L200 PolarHBondContact O-N 2.78Å; L200-L237 HydrophobicContact CD1-CB 4.38Å; L200-L237 HydrophobicContact CD2-CB 4.13Å; L200-L237 HydrophobicContact CG-CB 4.21Å; L200-V238 HydrophobicContact CD2-CG2 3.9Å; L200-A241 HydrophobicContact CD1-CB 3.68Å; L200-Y250 HydrophobicContact CD1-CE2 4.43Å; L200-Y250 HydrophobicContact CD2-CE1 4.46Å
201W93Very high95.2Very high42 Ų4224 Ų2416%0.15915%0.154CC..G310 helixtrans-89.9-9.6-168.3-59.477.6000112.9E198 E199 R233 R234 L237E198-W201 PolarHBondContact O-N 3.35Å; E198-W201 WeakPolarHBondContact OE1-CB 3.36Å; E199-W201 VanDerWaalsContact C-N 3.34Å; E199-W201 PolarHBondContact O-N 3.36Å; W201-R233 HydrophobicContact CH2-CG 4.44Å; W201-R233 HydrophobicContact CZ3-CG 3.9Å; W201-R234 HydrophobicContact CH2-CB 4.32Å; W201-R234 HydrophobicContact CZ2-CB 4.4Å; W201-R234 HydrophobicContact CZ2-CG 4.36Å; W201-L237 HydrophobicContact CD2-CD1 3.51Å; W201-L237 HydrophobicContact CE3-CD1 3.21Å; W201-L237 HydrophobicContact CG-CD1 4.25Å; W201-L237 HydrophobicContact CH2-CD1 3.74Å; W201-L237 HydrophobicContact CZ2-CD1 4.02Å; W201-L237 HydrophobicContact CZ3-CD1 3.34Å
202T92.9Very high95Very high39 Ų3923.9 Ų23.924%0.23916%0.156CC..SBendtrans-73163.2-177.769.30000113.3V130 E199 T204 P205V130-T202 HydrophobicContact CB-CG2 4.2Å; V130-T202 HydrophobicContact CG1-CG2 3.7Å; V130-T202 HydrophobicContact CG2-CG2 4.07Å; E199-T202 PolarHBondContact O-OG1 3.09Å; T202-T204 VanDerWaalsContact C-N 3.26Å; T202-T204 PolarHBondContact O-N 2.98Å; T202-P205 WeakPolarHBondContact O-CD 3.25Å; T202-P205 WeakPolarHBondContact OG1-CA 3.39Å
203G91.1Very high94.6Very high81 Ų8125.2 Ų25.284%0.83517%0.167SC*.SBendtrans-69.4-19.9176.900000114.5
204T91.7Very high94.2Very high124 Ų12426 Ų2676%0.76117%0.174SC*.SBendtrans-136.469.6177.255.20000110T202T202-T204 VanDerWaalsContact C-N 3.26Å; T202-T204 PolarHBondContact O-N 2.98Å
205P95.2Very high94Very high13 Ų1325.9 Ų25.98%0.08417%0.174CC..  trans-66.7146.1-172.628.5-36.2000111.7E199 T202 H207 I208E199-P205 WeakPolarHBondContact O-CA 3.44Å; E199-P205 WeakPolarHBondContact O-CB 3.41Å; T202-P205 WeakPolarHBondContact O-CD 3.25Å; T202-P205 WeakPolarHBondContact OG1-CA 3.39Å; P205-H207 WeakPolarHBondContact CB-CE1 3.39Å; P205-H207 WeakPolarHBondContact CG-CE1 3.32Å; P205-H207 PolarHBondContact O-N 2.72Å; P205-H207 VanDerWaalsContact O-N 3.1Å; P205-I208 HydrophobicContact CG-CD1 3.94Å; P205-I208 HydrophobicContact CG-CG1 4.09Å; P205-I208 PolarHBondContact O-N 3.22Å; P205-I208 VanDerWaalsContact O-N 3.15Å
206P94.9Very high93.9Very high14 Ų1426 Ų269%0.09118%0.175CC..Hα-helixtrans-55.1-31.7-173.7-27.735000115.1L129 E195 E199 I208 A209 M210 Y333L129-P206 HydrophobicContact CD1-CB 4.49Å; L129-P206 HydrophobicContact CD1-CG 4.07Å; E195-P206 HydrophobicContact CG-CB 4.18Å; E195-P206 HydrophobicContact CG-CG 4.45Å; E195-P206 VanDerWaalsContact OE1-CD 3.29Å; E195-P206 WeakPolarHBondContact OE1-CD 3.49Å; E199-P206 HydrophobicContact CB-CG 4.03Å; E199-P206 HydrophobicContact CG-CG 4.27Å; E199-P206 WeakPolarHBondContact O-CD 3.25Å; P206-I208 PolarHBondContact O-N 2.89Å; P206-I208 VanDerWaalsContact O-N 3.16Å; P206-A209 PolarHBondContact O-N 3.17Å; P206-M210 HydrophobicContact CB-CE 3.61Å; P206-M210 WeakPolarHBondContact O-CG 3.19Å; P206-M210 PolarHBondContact O-N 2.96Å; P206-Y333 PolarHBondContact O-OH 3.01Å
207H95.5Very high93.8Very high9 Ų926 Ų264%0.04218%0.175CC..Hα-helixtrans-59.9-27.7-178.464.5-102.6000112.8E195 P205 A209 M210 Y211 V218 A241 Y250E195-H207 WeakPolarHBondContact OE1-CA 3.37Å; E195-H207 WeakPolarHBondContact OE1-CB 3.48Å; E195-H207 IonicContact OE1-CG 3.35Å; E195-H207 PolarHBondContact OE1-N 3.01Å; E195-H207 IonicContact OE1-ND1 2.86Å; E195-H207 PolarHBondContact OE1-ND1 2.81Å; E195-H207 IonicContact OE2-ND1 3.02Å; E195-H207 PolarHBondContact OE2-ND1 3.24Å; P205-H207 WeakPolarHBondContact CB-CE1 3.39Å; P205-H207 WeakPolarHBondContact CG-CE1 3.32Å; P205-H207 PolarHBondContact O-N 2.72Å; P205-H207 VanDerWaalsContact O-N 3.1Å; H207-A209 VanDerWaalsContact C-N 3.35Å; H207-M210 PolarHBondContact O-N 2.97Å; H207-Y211 HydrophobicContact CB-CD2 4.15Å; H207-Y211 HydrophobicContact CB-CE2 4.04Å; H207-Y211 WeakPolarHBondContact O-CB 3.35Å; H207-Y211 WeakPolarHBondContact O-CD2 3.39Å; H207-Y211 PolarHBondContact O-N 2.65Å; H207-V218 HydrophobicContact CB-CB 4.48Å; H207-V218 HydrophobicContact CB-CG1 4.17Å; H207-V218 HydrophobicContact CB-CG2 3.97Å; H207-A241 VanDerWaalsContact CE1-CB 3.48Å; H207-A241 WeakPolarHBondContact CE1-CB 3.47Å; H207-Y250 HydrophobicContact CB-CE2 4.38Å
208I93.6Very high93.9Very high72 Ų7225.9 Ų25.937%0.36917%0.174SC..Hα-helixtrans-58.2-53.6174.8-64.2178.1000108.5P205 P206 M210 Y211 A212 N245P205-I208 HydrophobicContact CG-CD1 3.94Å; P205-I208 HydrophobicContact CG-CG1 4.09Å; P205-I208 PolarHBondContact O-N 3.22Å; P205-I208 VanDerWaalsContact O-N 3.15Å; P206-I208 PolarHBondContact O-N 2.89Å; P206-I208 VanDerWaalsContact O-N 3.16Å; I208-M210 VanDerWaalsContact C-N 3.34Å; I208-M210 PolarHBondContact O-N 2.63Å; I208-Y211 PolarHBondContact O-N 3.15Å; I208-A212 WeakPolarHBondContact O-CB 3.04Å; I208-A212 PolarHBondContact O-N 2.78Å; I208-N245 WeakPolarHBondContact CG2-ND2 3.17Å; I208-N245 PolarHBondContact O-ND2 2.86Å
209A92Very high94Very high36 Ų3623.6 Ų23.630%0.29816%0.163SC..Hα-helixtrans-68.1-34.4179.800000111.9P206 H207 A212 A213 Y333P206-A209 PolarHBondContact O-N 3.17Å; H207-A209 VanDerWaalsContact C-N 3.35Å; A209-A212 PolarHBondContact O-N 2.72Å; A209-A213 WeakPolarHBondContact O-CB 3.43Å; A209-A213 PolarHBondContact O-N 2.68Å; A209-Y333 HydrophobicContact CB-CE2 3.64Å
210M94.1Very high94.1Very high1 Ų123.7 Ų23.71%0.00516%0.163CC..Hα-helixtrans-64.2-48.8175.9-66172.6-172.800112.1L194 E195 P206 H207 I208 A212 A213 G214 V215 V218 Y333L194-M210 WeakPolarHBondContact O-CE 3.23Å; E195-M210 HydrophobicContact CG-CE 4.37Å; E195-M210 HydrophobicContact CG-SD 4.45Å; P206-M210 HydrophobicContact CB-CE 3.61Å; P206-M210 WeakPolarHBondContact O-CG 3.19Å; P206-M210 PolarHBondContact O-N 2.96Å; H207-M210 PolarHBondContact O-N 2.97Å; I208-M210 VanDerWaalsContact C-N 3.34Å; I208-M210 PolarHBondContact O-N 2.63Å; M210-A212 VanDerWaalsContact C-N 3.33Å; M210-A212 PolarHBondContact O-N 2.86Å; M210-A213 CarbonylContact O-C 3.54Å; M210-A213 WeakPolarHBondContact O-CA 3.47Å; M210-A213 WeakPolarHBondContact O-CB 3.47Å; M210-A213 PolarHBondContact O-N 3.16Å; M210-G214 PolarHBondContact O-N 3.2Å; M210-V215 HydrophobicContact CB-CB 4.07Å; M210-V215 HydrophobicContact CB-CG1 4.49Å; M210-V215 HydrophobicContact CB-CG2 3.79Å; M210-V215 VanDerWaalsContact O-CB 3.29Å; M210-V215 WeakPolarHBondContact O-CB 3.47Å; M210-V215 VanDerWaalsContact O-CG2 3.3Å; M210-V215 WeakPolarHBondContact O-CG2 3.4Å; M210-V215 PolarHBondContact O-N 2.93Å; M210-V215 VanDerWaalsContact O-N 3.08Å; M210-V218 HydrophobicContact CB-CG2 4.41Å; M210-V218 HydrophobicContact SD-CG1 4.42Å; M210-V218 HydrophobicContact SD-CG2 4.21Å; M210-Y333 HydrophobicContact CE-CE1 4.3Å; M210-Y333 HydrophobicContact CG-CE1 4.1Å; M210-Y333 HydrophobicContact CG-CE2 4Å; M210-Y333 WeakPolarHBondContact CG-OH 3.24Å
211Y93.3Very high94.1Very high0 Ų023.4 Ų23.40%016%0.162CC..Hα-helixtrans-64-39.7176.7-74-50.1000111.4H207 I208 A213 G214 V215 V218 A241 A244 F249 R305 F311H207-Y211 HydrophobicContact CB-CD2 4.15Å; H207-Y211 HydrophobicContact CB-CE2 4.04Å; H207-Y211 WeakPolarHBondContact O-CB 3.35Å; H207-Y211 WeakPolarHBondContact O-CD2 3.39Å; H207-Y211 PolarHBondContact O-N 2.65Å; I208-Y211 PolarHBondContact O-N 3.15Å; Y211-A213 PolarHBondContact O-N 3.33Å; Y211-G214 PolarHBondContact O-N 2.92Å; Y211-V215 VanDerWaalsContact CD1-O 3.31Å; Y211-V215 WeakPolarHBondContact CD1-O 3.41Å; Y211-V218 HydrophobicContact CE1-CG2 3.93Å; Y211-V218 HydrophobicContact CE2-CG2 4.09Å; Y211-A241 WeakPolarHBondContact CE2-O 3.45Å; Y211-A244 HydrophobicContact CD2-CB 4Å; Y211-A244 HydrophobicContact CE2-CB 4.42Å; Y211-F249 PolarHBondContact OH-O 3.12Å; Y211-R305 VanDerWaalsContact CD1-NH2 3.27Å; Y211-F311 VanDerWaalsContact O-CE2 3.22Å; Y211-F311 WeakPolarHBondContact O-CE2 3.3Å
212A90.7Very high94.4Very high13 Ų1321.4 Ų21.411%0.10716%0.155CC..Hα-helixtrans-60.4-34.5171.400000111.8I208 A209 M210 G214 A314 A315I208-A212 WeakPolarHBondContact O-CB 3.04Å; I208-A212 PolarHBondContact O-N 2.78Å; A209-A212 PolarHBondContact O-N 2.72Å; M210-A212 VanDerWaalsContact C-N 3.33Å; M210-A212 PolarHBondContact O-N 2.86Å; A212-G214 PolarHBondContact O-N 2.98Å; A212-A314 HydrophobicContact CB-CB 4.11Å; A212-A315 WeakPolarHBondContact O-CA 3.13Å; A212-A315 WeakPolarHBondContact O-CB 3.24Å
213A89.8Confident94.6Very high29 Ų2919.6 Ų19.624%0.2414%0.143CC..THydrogen-bonded Turntrans-76.82.9174.200000114.5I178 A209 M210 Y211 Y333I178-A213 HydrophobicContact CD1-CB 3.68Å; A209-A213 WeakPolarHBondContact O-CB 3.43Å; A209-A213 PolarHBondContact O-N 2.68Å; M210-A213 CarbonylContact O-C 3.54Å; M210-A213 WeakPolarHBondContact O-CA 3.47Å; M210-A213 WeakPolarHBondContact O-CB 3.47Å; M210-A213 PolarHBondContact O-N 3.16Å; Y211-A213 PolarHBondContact O-N 3.33Å; A213-Y333 HydrophobicContact CB-CD2 3.84Å; A213-Y333 HydrophobicContact CB-CG 4.46Å
214G90.1Very high94.8Very high15 Ų1515.9 Ų15.916%0.15511%0.105CC..THydrogen-bonded Turntrans92.98.5175.200000115.5M210 Y211 A212 D216 R305M210-G214 PolarHBondContact O-N 3.2Å; Y211-G214 PolarHBondContact O-N 2.92Å; A212-G214 PolarHBondContact O-N 2.98Å; G214-D216 PolarHBondContact O-N 3.02Å; G214-R305 PolarHBondContact O-NH1 2.74Å
215V94.1Very high95Very high0 Ų010.4 Ų10.40%07%0.071CC..  trans-54.5128.9176.21680000111I178 G193 M210 Y211 A217 V218 R305I178-V215 HydrophobicContact CB-CG2 4.34Å; I178-V215 HydrophobicContact CD1-CG2 3.45Å; I178-V215 VanDerWaalsContact CD1-CG2 3.45Å; I178-V215 HydrophobicContact CG1-CG2 3.59Å; I178-V215 HydrophobicContact CG2-CG2 3.8Å; G193-V215 VanDerWaalsContact N-CG1 3.28Å; M210-V215 HydrophobicContact CB-CB 4.07Å; M210-V215 HydrophobicContact CB-CG1 4.49Å; M210-V215 HydrophobicContact CB-CG2 3.79Å; M210-V215 VanDerWaalsContact O-CB 3.29Å; M210-V215 WeakPolarHBondContact O-CB 3.47Å; M210-V215 VanDerWaalsContact O-CG2 3.3Å; M210-V215 WeakPolarHBondContact O-CG2 3.4Å; M210-V215 PolarHBondContact O-N 2.93Å; M210-V215 VanDerWaalsContact O-N 3.08Å; Y211-V215 VanDerWaalsContact CD1-O 3.31Å; Y211-V215 WeakPolarHBondContact CD1-O 3.41Å; V215-A217 WeakPolarHBondContact CG1-O 3.42Å; V215-V218 HydrophobicContact CG1-CG2 3.92Å; V215-R305 PolarHBondContact O-NH1 3.06Å; V215-R305 PolarHBondContact O-NH2 3.32Å
216D94.9Very high95Very high3 Ų39.9 Ų9.92%0.0167%0.067CC..SBendtrans-80.2-36.7178.6-62.2-65.2000111.6Q191 G214 F249 L298 L301 R302 R305Q191-D216 PolarHBondContact N-OD2 3.19Å; Q191-D216 PolarHBondContact O-N 3.35Å; G214-D216 PolarHBondContact O-N 3.02Å; D216-F249 PolarHBondContact O-N 3.29Å; D216-F249 VanDerWaalsContact O-N 3.08Å; D216-L298 HydrophobicContact CB-CD1 3.87Å; D216-L298 VanDerWaalsContact CG-CD1 3.45Å; D216-L301 HydrophobicContact CB-CD1 4.43Å; D216-R302 IonicContact OD1-CZ 3.96Å; D216-R302 IonicContact OD1-NE 3.83Å; D216-R302 PolarHBondContact OD1-NE 3.37Å; D216-R302 IonicContact OD1-NH2 3.5Å; D216-R302 IonicContact OD2-CZ 2.78Å; D216-R302 IonicContact OD2-NH2 3Å; D216-R302 PolarHBondContact OD2-NH2 2.86Å; D216-R305 IonicContact OD1-NH1 3.46Å; D216-R305 PolarHBondContact OD1-NH1 2.88Å
217A96.7Very high95.1Very high0 Ų011.7 Ų11.70%07%0.074CC..EExtended strand (participates in β ladder)trans-137.7142.5179.100000113.9F15 Q191 I192 G193 V215 F249F15-A217 HydrophobicContact CE2-CB 4.43Å; F15-A217 HydrophobicContact CZ-CB 4.26Å; Q191-A217 PolarHBondContact O-N 3.09Å; I192-A217 CarbonylContact C-O 3.52Å; I192-A217 WeakPolarHBondContact CA-O 3.41Å; I192-A217 HydrophobicContact CD1-CB 3.69Å; G193-A217 PolarHBondContact N-O 2.83Å; V215-A217 WeakPolarHBondContact CG1-O 3.42Å; A217-F249 CarbonylContact C-O 3.54Å; A217-F249 VanDerWaalsContact CA-O 3.22Å; A217-F249 WeakPolarHBondContact CA-O 3.44Å; A217-F249 HydrophobicContact CB-CB 3.83Å; A217-F249 HydrophobicContact CB-CD1 3.51Å; A217-F249 HydrophobicContact CB-CG 4.11Å
218V98.1Very high95Very high0 Ų011.6 Ų11.60%07%0.074CC..EExtended strand (participates in β ladder)trans-114.1129.5171.5177.90000109.2G193 E195 H207 M210 Y211 V215 F249 Y250 A251G193-V218 WeakPolarHBondContact O-CA 3.38Å; E195-V218 HydrophobicContact CB-CG1 4.17Å; E195-V218 HydrophobicContact CG-CG1 3.81Å; H207-V218 HydrophobicContact CB-CB 4.48Å; H207-V218 HydrophobicContact CB-CG1 4.17Å; H207-V218 HydrophobicContact CB-CG2 3.97Å; M210-V218 HydrophobicContact CB-CG2 4.41Å; M210-V218 HydrophobicContact SD-CG1 4.42Å; M210-V218 HydrophobicContact SD-CG2 4.21Å; Y211-V218 HydrophobicContact CE1-CG2 3.93Å; Y211-V218 HydrophobicContact CE2-CG2 4.09Å; V215-V218 HydrophobicContact CG1-CG2 3.92Å; V218-F249 PolarHBondContact N-O 3.21Å; V218-Y250 HydrophobicContact CB-CD2 3.79Å; V218-Y250 HydrophobicContact CB-CE2 3.98Å; V218-Y250 HydrophobicContact CG1-CD2 3.96Å; V218-Y250 HydrophobicContact CG1-CE2 3.6Å; V218-Y250 WeakPolarHBondContact O-CA 3.33Å; V218-A251 PolarHBondContact O-N 3.03Å
219L98.5Very high95Very high0 Ų013 Ų130%08%0.075CC..EExtended strand (participates in β ladder)trans-113.5121.1-178.8-54.1-179.7000109.5V17 Y50 V52 R114 I192 G193 L194 E195 F249 A251V17-L219 HydrophobicContact CG1-CD1 4.3Å; V17-L219 HydrophobicContact CG1-CD2 4.06Å; Y50-L219 HydrophobicContact CD1-CD1 3.51Å; Y50-L219 HydrophobicContact CD2-CD1 4.4Å; Y50-L219 HydrophobicContact CE1-CD1 3.17Å; Y50-L219 HydrophobicContact CE2-CD1 4.09Å; Y50-L219 HydrophobicContact CG-CD1 4.14Å; Y50-L219 VanDerWaalsContact CZ-CD1 3.49Å; V52-L219 HydrophobicContact CG2-CB 4.48Å; R114-L219 PolarHBondContact NH1-O 2.78Å; I192-L219 HydrophobicContact CG2-CD1 3.78Å; I192-L219 HydrophobicContact CG2-CG 3.95Å; G193-L219 PolarHBondContact O-N 3.34Å; L194-L219 HydrophobicContact CD2-CB 4.5Å; E195-L219 PolarHBondContact N-O 2.92Å; L219-F249 HydrophobicContact CD2-CE1 4.13Å; L219-A251 HydrophobicContact CD2-CB 3.67Å
220N98.6Very high95.1Very high1 Ų112.7 Ų12.71%0.0057%0.066CC..EExtended strand (participates in β ladder)trans-103.9119.7-179.5-170.9-47.4000111.1E195 C197 S222 Y250 A251 Y252 T253E195-N220 HydrophobicContact CB-CB 4.45Å; E195-N220 VanDerWaalsContact O-CA 3.27Å; E195-N220 WeakPolarHBondContact O-CA 3.27Å; C197-N220 PolarHBondContact N-OD1 3.01Å; C197-N220 VanDerWaalsContact N-OD1 3.14Å; N220-S222 PolarHBondContact OD1-OG 3.42Å; N220-Y250 HydrophobicContact CB-CE1 3.7Å; N220-Y250 WeakPolarHBondContact CB-OH 3.18Å; N220-Y250 PolarHBondContact ND2-OH 3.42Å; N220-A251 PolarHBondContact N-O 3.22Å; N220-Y252 HydrophobicContact CB-CD2 4.06Å; N220-Y252 WeakPolarHBondContact O-CA 3.38Å; N220-T253 PolarHBondContact O-N 3.02Å; N220-T253 PolarHBondContact O-OG1 3.01Å
221S98.5Very high95.1Very high0 Ų012.8 Ų12.80%07%0.067CC..EExtended strand (participates in β ladder)trans-99122.1172.1-175.50000108.7G53 P54 E55 R114 E195 T196 C197G53-S221 WeakPolarHBondContact O-CB 3.46Å; G53-S221 PolarHBondContact O-OG 3.34Å; P54-S221 WeakPolarHBondContact CA-OG 3.24Å; P54-S221 PolarHBondContact O-OG 3.35Å; E55-S221 WeakPolarHBondContact CA-OG 3.43Å; E55-S221 PolarHBondContact N-OG 3.05Å; R114-S221 VanDerWaalsContact CZ-CB 3.45Å; E195-S221 PolarHBondContact O-N 2.89Å; T196-S221 WeakPolarHBondContact CA-O 3.06Å; C197-S221 PolarHBondContact N-O 2.89Å
222S98.3Very high95.1Very high0 Ų016.7 Ų16.70%09%0.088CC..  trans-130.3159.5-173.9-71.10000115E55 C197 N220 Y252 T253 N254 L255E55-S222 VanDerWaalsContact CB-C 3.45Å; E55-S222 PolarHBondContact N-O 3.3Å; E55-S222 VanDerWaalsContact N-O 3.16Å; C197-S222 VanDerWaalsContact CA-OG 3.27Å; C197-S222 WeakPolarHBondContact CA-OG 3.27Å; N220-S222 PolarHBondContact OD1-OG 3.42Å; S222-Y252 WeakPolarHBondContact CB-OH 3.43Å; S222-Y252 WeakPolarHBondContact OG-CE2 3.44Å; S222-Y252 VanDerWaalsContact OG-CZ 3.27Å; S222-Y252 PolarHBondContact OG-OH 3.26Å; S222-T253 VanDerWaalsContact CB-O 3.22Å; S222-T253 WeakPolarHBondContact CB-O 3.44Å; S222-T253 PolarHBondContact N-O 2.93Å; S222-N254 WeakPolarHBondContact O-CA 3.44Å; S222-N254 PolarHBondContact O-OD1 3.41Å; S222-L255 PolarHBondContact O-N 3.04Å
223A97.1Very high95.3Very high0 Ų023.6 Ų23.60%011%0.111CC..  trans-131.160.4163.200000109.7E55 Y61 N254 L255 Y265E55-A223 HydrophobicContact CB-CB 3.99Å; E55-A223 HydrophobicContact CG-CB 4.45Å; E55-A223 PolarHBondContact OE2-N 3.48Å; Y61-A223 HydrophobicContact CD1-CB 4.22Å; Y61-A223 HydrophobicContact CD2-CB 3.29Å; Y61-A223 HydrophobicContact CE2-CB 3.95Å; Y61-A223 HydrophobicContact CG-CB 3.44Å; Y61-A223 VanDerWaalsContact CG-CB 3.44Å; A223-N254 WeakPolarHBondContact CA-OD1 3.24Å; A223-L255 HydrophobicContact CB-CD1 3.74Å; A223-L255 HydrophobicContact CB-CG 4.24Å; A223-Y265 HydrophobicContact CB-CD1 4.37Å; A223-Y265 HydrophobicContact CB-CE1 3.98Å; A223-Y265 VanDerWaalsContact O-CE1 3.32Å; A223-Y265 WeakPolarHBondContact O-CE1 3.1Å
224S95.9Very high95.5Very high4 Ų422.3 Ų22.33%0.02810%0.1CC..  trans-87.3113.5-179.4-169.20000110.3R234 Y252 N254S224-R234 VanDerWaalsContact CB-NH2 3.34Å; S224-R234 PolarHBondContact O-NH2 3.2Å; S224-R234 PolarHBondContact OG-NH2 3.2Å; S224-R234 VanDerWaalsContact OG-NH2 3.11Å; S224-Y252 WeakPolarHBondContact CB-OH 3.48Å; S224-N254 PolarHBondContact N-OD1 3.35Å; S224-N254 PolarHBondContact O-ND2 3.4Å
225H95.5Very high95.8Very high9 Ų922 Ų224%0.04210%0.095CC..BIsolated β-bridgetrans-67.9157.2178.265.9-86.8000112.2H137 E227 A263 C264 Y265 H727H137-H225 AromaticContact CD2-CE1 3.86Å; H137-H225 AromaticContact CE1-ND1 3.54Å; H137-H225 AromaticContact NE2-CE1 3.21Å; H137-H225 PolarHBondContact NE2-CE1 2.92Å; H137-H225 AromaticContact NE2-ND1 3.07Å; H137-H225 PolarHBondContact NE2-ND1 3.1Å; H225-E227 PolarHBondContact O-N 2.87Å; H225-A263 HydrophobicContact CB-CB 4.1Å; H225-C264 CarbonylContact C-O 3.6Å; H225-C264 WeakPolarHBondContact CA-O 3.46Å; H225-Y265 HydrophobicContact CB-CD1 4.27Å; H225-Y265 HydrophobicContact CB-CE1 4.36Å; H225-H727 AromaticContact CD2-CD2 3.7Å; H225-H727 AromaticContact NE2-CD2 3.74Å; H225-H727 AromaticContact NE2-NE2 3.91Å
226H96.2Very high95.9Very high1 Ų126.2 Ų26.21%0.00512%0.115CC..  trans-62.6129.4171.6-178.3-126.1000110.1C264 D266 F284 E367 Y726H226-C264 WeakPolarHBondContact CB-O 3.4Å; H226-C264 PolarHBondContact N-O 2.92Å; H226-D266 HydrophobicContact CB-CB 3.96Å; H226-F284 HydrophobicContact CB-CE1 4.47Å; H226-F284 AromaticContact CD2-CZ 3.71Å; H226-F284 AromaticContact CG-CZ 4Å; H226-F284 AromaticContact NE2-CZ 3.77Å; H226-E367 IonicContact CD2-OE2 2.97Å; H226-E367 IonicContact CE1-OE2 3.34Å; H226-E367 IonicContact NE2-OE2 3.62Å; H226-E367 PolarHBondContact NE2-OE2 3.39Å; H226-Y726 AromaticContact ND1-CE1 3.83Å; H226-Y726 AromaticContact ND1-CZ 3.6Å; H226-Y726 PolarHBondContact ND1-OH 2.9Å
227E95.2Very high95.9Very high52 Ų5228.2 Ų28.224%0.24313%0.125CC..  trans-132.4134.2165.3176.8-166.9135.200105.6H225 R229 K230 T728 A730H225-E227 PolarHBondContact O-N 2.87Å; E227-R229 PolarHBondContact O-N 2.92Å; E227-R229 VanDerWaalsContact O-N 3.16Å; E227-K230 HydrophobicContact CB-CB 3.76Å; E227-K230 HydrophobicContact CB-CD 3.6Å; E227-K230 HydrophobicContact CB-CG 4.34Å; E227-K230 HydrophobicContact CG-CB 4.24Å; E227-K230 HydrophobicContact CG-CD 4.34Å; E227-K230 VanDerWaalsContact O-CB 3.22Å; E227-K230 WeakPolarHBondContact O-CB 3.39Å; E227-K230 PolarHBondContact O-N 3.18Å; E227-K230 WeakPolarHBondContact OE2-CD 3.33Å; E227-K230 IonicContact OE2-NZ 2.8Å; E227-T728 CarbonylContact C-O 3.54Å; E227-T728 VanDerWaalsContact CA-O 3.23Å; E227-T728 WeakPolarHBondContact CA-O 3.36Å; E227-T728 VanDerWaalsContact CG-O 3.23Å; E227-T728 WeakPolarHBondContact CG-O 3.16Å; E227-A730 HydrophobicContact CG-CB 4.41Å
228L94.3Very high95.9Very high8 Ų828.2 Ų28.24%0.04213%0.125CC..THydrogen-bonded Turntrans-59.3122.8-170.7-163.565.1000109.3K230 E367 I368 T728 E729L228-K230 VanDerWaalsContact C-N 3.32Å; L228-K230 PolarHBondContact O-N 3.09Å; L228-E367 WeakPolarHBondContact CA-OE2 3.16Å; L228-E367 HydrophobicContact CD1-CB 3.65Å; L228-E367 WeakPolarHBondContact CD1-OE2 3.46Å; L228-I368 HydrophobicContact CD1-CD1 4.49Å; L228-I368 HydrophobicContact CD1-CG1 3.95Å; L228-I368 HydrophobicContact CD2-CD1 4.19Å; L228-I368 HydrophobicContact CD2-CG1 4.38Å; L228-T728 PolarHBondContact N-O 3.48Å; L228-E729 WeakPolarHBondContact CD2-OE1 3.15Å
229R94.3Very high95.8Very high102 Ų10230.8 Ų30.839%0.38514%0.136SC..THydrogen-bonded Turntrans74.46-178.5-46158.1-166.199.5-2.3115.8E227 L231 P364 E367 D585 E729E227-R229 PolarHBondContact O-N 2.92Å; E227-R229 VanDerWaalsContact O-N 3.16Å; R229-L231 PolarHBondContact O-N 3.17Å; R229-P364 HydrophobicContact CG-CB 4.48Å; R229-P364 HydrophobicContact CG-CG 4Å; R229-E367 PolarHBondContact N-OE2 3.38Å; R229-D585 IonicContact CZ-OD1 2.83Å; R229-D585 IonicContact CZ-OD2 3.23Å; R229-D585 IonicContact NH2-OD1 3.06Å; R229-D585 PolarHBondContact NH2-OD1 3.2Å; R229-D585 IonicContact NH2-OD2 2.75Å; R229-D585 PolarHBondContact NH2-OD2 2.86Å; R229-E729 IonicContact CZ-OE1 2.63Å; R229-E729 IonicContact NH1-OE1 3.16Å; R229-E729 PolarHBondContact NH1-OE1 3.43Å; R229-E729 IonicContact NH1-OE2 3.9Å; R229-E729 IonicContact NH2-OE1 3.94Å
230K93.8Very high95.6Very high28 Ų2834 Ų3412%0.12216%0.159CC..  trans-73.1-24.7-177.1177.9178.5175177.20114.5E227 L228 N232 R233 R234E227-K230 HydrophobicContact CB-CB 3.76Å; E227-K230 HydrophobicContact CB-CD 3.6Å; E227-K230 HydrophobicContact CB-CG 4.34Å; E227-K230 HydrophobicContact CG-CB 4.24Å; E227-K230 HydrophobicContact CG-CD 4.34Å; E227-K230 VanDerWaalsContact O-CB 3.22Å; E227-K230 WeakPolarHBondContact O-CB 3.39Å; E227-K230 PolarHBondContact O-N 3.18Å; E227-K230 WeakPolarHBondContact OE2-CD 3.33Å; E227-K230 IonicContact OE2-NZ 2.8Å; L228-K230 VanDerWaalsContact C-N 3.32Å; L228-K230 PolarHBondContact O-N 3.09Å; K230-N232 PolarHBondContact O-N 3.49Å; K230-N232 VanDerWaalsContact O-N 3.16Å; K230-R233 WeakPolarHBondContact O-CB 3.39Å; K230-R233 PolarHBondContact O-N 3.24Å; K230-R234 PolarHBondContact O-N 3.4Å
231L93.8Very high95.5Very high4 Ų434 Ų342%0.02116%0.159CC..Hα-helixtrans-55.2-39.6-172.8178.959.3000112.8R229 R233 R234 I235 C268R229-L231 PolarHBondContact O-N 3.17Å; L231-R233 VanDerWaalsContact C-N 3.28Å; L231-R233 PolarHBondContact O-N 3.2Å; L231-R234 WeakPolarHBondContact O-CB 3.18Å; L231-R234 PolarHBondContact O-N 3.27Å; L231-I235 HydrophobicContact CD1-CD1 4.33Å; L231-I235 HydrophobicContact CD1-CG1 4.28Å; L231-I235 HydrophobicContact CD2-CD1 4.49Å; L231-I235 HydrophobicContact CG-CD1 3.96Å; L231-I235 HydrophobicContact CG-CG1 4.37Å; L231-I235 WeakPolarHBondContact O-CG1 3.5Å; L231-I235 PolarHBondContact O-N 3.22Å; L231-C268 HydrophobicContact CD1-CB 3.83Å
232N93.5Very high95.3Very high82 Ų8234 Ų3444%0.43916%0.159SC..Hα-helixtrans-57.2-41.5178.2-171.349.3000112.2K230 R234 I235 E236 I361K230-N232 PolarHBondContact O-N 3.49Å; K230-N232 VanDerWaalsContact O-N 3.16Å; N232-R234 VanDerWaalsContact C-N 3.35Å; N232-R234 PolarHBondContact O-N 3.47Å; N232-I235 PolarHBondContact O-N 3.44Å; N232-E236 PolarHBondContact O-N 2.95Å; N232-I361 HydrophobicContact CB-CD1 3.92Å; N232-I361 WeakPolarHBondContact OD1-CD1 3.3Å
233R93.8Very high95.1Very high158 Ų15838.7 Ų38.760%0.59618%0.182SC*.Hα-helixtrans-64.3-40.5177.2-174.4175.7175.5-165.9-2.9111.4W201 K230 L231 E236 L237W201-R233 HydrophobicContact CH2-CG 4.44Å; W201-R233 HydrophobicContact CZ3-CG 3.9Å; K230-R233 WeakPolarHBondContact O-CB 3.39Å; K230-R233 PolarHBondContact O-N 3.24Å; L231-R233 VanDerWaalsContact C-N 3.28Å; L231-R233 PolarHBondContact O-N 3.2Å; R233-E236 PolarHBondContact O-N 2.99Å; R233-L237 HydrophobicContact CG-CD1 4.42Å; R233-L237 WeakPolarHBondContact O-CG 3.48Å; R233-L237 PolarHBondContact O-N 3.2Å
234R95.3Very high94.8Very high1 Ų139.7 Ų39.70%0.00419%0.19CC..Hα-helixtrans-62.8-43.3175.9-170.3-170.3-66.7162.24.4111.2W201 S224 K230 L231 N232 L237 V238 Y252 N254 D266 G267W201-R234 HydrophobicContact CH2-CB 4.32Å; W201-R234 HydrophobicContact CZ2-CB 4.4Å; W201-R234 HydrophobicContact CZ2-CG 4.36Å; S224-R234 VanDerWaalsContact CB-NH2 3.34Å; S224-R234 PolarHBondContact O-NH2 3.2Å; S224-R234 PolarHBondContact OG-NH2 3.2Å; S224-R234 VanDerWaalsContact OG-NH2 3.11Å; K230-R234 PolarHBondContact O-N 3.4Å; L231-R234 WeakPolarHBondContact O-CB 3.18Å; L231-R234 PolarHBondContact O-N 3.27Å; N232-R234 VanDerWaalsContact C-N 3.35Å; N232-R234 PolarHBondContact O-N 3.47Å; R234-L237 PolarHBondContact O-N 2.68Å; R234-V238 PolarHBondContact O-N 3.03Å; R234-Y252 HydrophobicContact CG-CE2 4.47Å; R234-Y252 PolarHBondContact NE-OH 3.16Å; R234-N254 PolarHBondContact NH1-ND2 3.03Å; R234-D266 IonicContact CZ-OD1 2.98Å; R234-D266 VanDerWaalsContact CZ-OD1 3.28Å; R234-D266 IonicContact CZ-OD2 2.72Å; R234-D266 IonicContact NH1-OD1 2.86Å; R234-D266 PolarHBondContact NH1-OD1 3.36Å; R234-D266 IonicContact NH1-OD2 3.59Å; R234-D266 IonicContact NH2-OD1 3.64Å; R234-D266 PolarHBondContact NH2-OD1 3.34Å; R234-D266 IonicContact NH2-OD2 3.47Å; R234-G267 PolarHBondContact NH1-O 3.39Å
235I95.3Very high94.2Very high10 Ų1041.5 Ų41.55%0.05120%0.2CC..Hα-helixtrans-59.9-48.3177-68.7169.9000110.9L231 N232 L237 V238 K239 L270 V277 L280 I361L231-I235 HydrophobicContact CD1-CD1 4.33Å; L231-I235 HydrophobicContact CD1-CG1 4.28Å; L231-I235 HydrophobicContact CD2-CD1 4.49Å; L231-I235 HydrophobicContact CG-CD1 3.96Å; L231-I235 HydrophobicContact CG-CG1 4.37Å; L231-I235 WeakPolarHBondContact O-CG1 3.5Å; L231-I235 PolarHBondContact O-N 3.22Å; N232-I235 PolarHBondContact O-N 3.44Å; I235-L237 VanDerWaalsContact C-N 3.35Å; I235-L237 PolarHBondContact O-N 3.13Å; I235-V238 PolarHBondContact O-N 3.28Å; I235-K239 HydrophobicContact CG2-CD 3.82Å; I235-K239 HydrophobicContact CG2-CG 4.43Å; I235-K239 WeakPolarHBondContact O-CB 3.48Å; I235-K239 VanDerWaalsContact O-CG 3.32Å; I235-K239 WeakPolarHBondContact O-CG 3.39Å; I235-K239 PolarHBondContact O-N 3.48Å; I235-L270 HydrophobicContact CB-CD2 4.43Å; I235-L270 HydrophobicContact CG1-CD2 4.05Å; I235-V277 HydrophobicContact CG2-CG2 4.11Å; I235-L280 HydrophobicContact CD1-CD2 4.04Å; I235-I361 HydrophobicContact CD1-CD1 4.07Å; I235-I361 HydrophobicContact CD1-CG1 4.14Å
236E95.5Very high93.4Very high88 Ų8842 Ų4241%0.41121%0.208SC..Hα-helixtrans-64.2-37.7179.1-69.2-52.7138.600112.9N232 R233 K239 S240N232-E236 PolarHBondContact O-N 2.95Å; R233-E236 PolarHBondContact O-N 2.99Å; E236-K239 VanDerWaalsContact CD-NZ 3.26Å; E236-K239 PolarHBondContact O-N 3.49Å; E236-K239 IonicContact OE1-NZ 3.37Å; E236-K239 PolarHBondContact OE1-NZ 3.48Å; E236-K239 IonicContact OE2-NZ 3.83Å; E236-K239 PolarHBondContact OE2-NZ 2.97Å; E236-S240 VanDerWaalsContact O-CB 3.3Å; E236-S240 WeakPolarHBondContact O-CB 3.41Å; E236-S240 PolarHBondContact O-N 2.84Å
237L96Very high92.6Very high45 Ų4542 Ų4224%0.23621%0.208CC..Hα-helixtrans-64.1-45.3175.3-74.9173.9000112.3L200 W201 R233 R234 I235 S240 A241L200-L237 HydrophobicContact CD1-CB 4.38Å; L200-L237 HydrophobicContact CD2-CB 4.13Å; L200-L237 HydrophobicContact CG-CB 4.21Å; W201-L237 HydrophobicContact CD2-CD1 3.51Å; W201-L237 HydrophobicContact CE3-CD1 3.21Å; W201-L237 HydrophobicContact CG-CD1 4.25Å; W201-L237 HydrophobicContact CH2-CD1 3.74Å; W201-L237 HydrophobicContact CZ2-CD1 4.02Å; W201-L237 HydrophobicContact CZ3-CD1 3.34Å; R233-L237 HydrophobicContact CG-CD1 4.42Å; R233-L237 WeakPolarHBondContact O-CG 3.48Å; R233-L237 PolarHBondContact O-N 3.2Å; R234-L237 PolarHBondContact O-N 2.68Å; I235-L237 VanDerWaalsContact C-N 3.35Å; I235-L237 PolarHBondContact O-N 3.13Å; L237-S240 PolarHBondContact O-N 3.04Å; L237-A241 WeakPolarHBondContact O-CB 3.32Å; L237-A241 PolarHBondContact O-N 3.26Å
238V96.5Very high92.4Very high0 Ų039.6 Ų39.60%020%0.196CC..Hα-helixtrans-67.2-38.51781690000111.6L200 R234 I235 A241 S242 Y250 Y252 L270 A272L200-V238 HydrophobicContact CD2-CG2 3.9Å; R234-V238 PolarHBondContact O-N 3.03Å; I235-V238 PolarHBondContact O-N 3.28Å; V238-A241 PolarHBondContact O-N 2.92Å; V238-S242 WeakPolarHBondContact O-CB 3.3Å; V238-S242 PolarHBondContact O-N 2.83Å; V238-S242 PolarHBondContact O-OG 2.93Å; V238-Y250 HydrophobicContact CB-CD1 4.38Å; V238-Y250 HydrophobicContact CG1-CD1 3.72Å; V238-Y250 HydrophobicContact CG1-CE1 4.44Å; V238-Y250 HydrophobicContact CG1-CG 4.39Å; V238-Y250 HydrophobicContact CG2-CD1 4.14Å; V238-Y250 HydrophobicContact CG2-CE1 4.02Å; V238-Y252 HydrophobicContact CG2-CD2 4.39Å; V238-Y252 HydrophobicContact CG2-CG 4.5Å; V238-L270 HydrophobicContact CB-CD2 3.55Å; V238-L270 HydrophobicContact CB-CG 4.19Å; V238-L270 HydrophobicContact CG1-CD2 3.8Å; V238-L270 HydrophobicContact CG1-CG 3.86Å; V238-L270 HydrophobicContact CG2-CD2 3.71Å; V238-L270 HydrophobicContact CG2-CG 4.44Å; V238-A272 HydrophobicContact CG1-CB 3.9Å
239K95.3Very high92.5Very high53 Ų5339.2 Ų39.223%0.2319%0.194CC..Hα-helixtrans-58.1-51.8171.5-74.8167.563.5-164.20110.7I235 E236 S242 M243 V277I235-K239 HydrophobicContact CG2-CD 3.82Å; I235-K239 HydrophobicContact CG2-CG 4.43Å; I235-K239 WeakPolarHBondContact O-CB 3.48Å; I235-K239 VanDerWaalsContact O-CG 3.32Å; I235-K239 WeakPolarHBondContact O-CG 3.39Å; I235-K239 PolarHBondContact O-N 3.48Å; E236-K239 VanDerWaalsContact CD-NZ 3.26Å; E236-K239 PolarHBondContact O-N 3.49Å; E236-K239 IonicContact OE1-NZ 3.37Å; E236-K239 PolarHBondContact OE1-NZ 3.48Å; E236-K239 IonicContact OE2-NZ 3.83Å; E236-K239 PolarHBondContact OE2-NZ 2.97Å; K239-S242 PolarHBondContact O-N 3.29Å; K239-S242 PolarHBondContact O-OG 3.36Å; K239-M243 PolarHBondContact O-N 3.12Å; K239-V277 HydrophobicContact CD-CG2 3.8Å; K239-V277 HydrophobicContact CG-CG2 3.57Å
240S95.5Very high92.6Very high68 Ų6834.3 Ų34.348%0.47618%0.176SC..Hα-helixtrans-57.7-49.4178.3-175.30000112.1E236 L237 S242 M243 A244E236-S240 VanDerWaalsContact O-CB 3.3Å; E236-S240 WeakPolarHBondContact O-CB 3.41Å; E236-S240 PolarHBondContact O-N 2.84Å; L237-S240 PolarHBondContact O-N 3.04Å; S240-S242 VanDerWaalsContact C-N 3.33Å; S240-S242 PolarHBondContact O-N 2.88Å; S240-M243 WeakPolarHBondContact O-CB 3.29Å; S240-M243 PolarHBondContact O-N 3.26Å; S240-A244 PolarHBondContact O-N 2.92Å
241A96.4Very high92.8Very high1 Ų133 Ų331%0.00817%0.17CC..Hα-helixtrans-57.9-45.4178.200000111.5L200 H207 Y211 L237 V238 M243 A244 Y250L200-A241 HydrophobicContact CD1-CB 3.68Å; H207-A241 VanDerWaalsContact CE1-CB 3.48Å; H207-A241 WeakPolarHBondContact CE1-CB 3.47Å; Y211-A241 WeakPolarHBondContact CE2-O 3.45Å; L237-A241 WeakPolarHBondContact O-CB 3.32Å; L237-A241 PolarHBondContact O-N 3.26Å; V238-A241 PolarHBondContact O-N 2.92Å; A241-M243 PolarHBondContact O-N 3.12Å; A241-M243 VanDerWaalsContact O-N 3.16Å; A241-A244 VanDerWaalsContact O-CB 3.25Å; A241-A244 WeakPolarHBondContact O-CB 3.35Å; A241-A244 PolarHBondContact O-N 3.36Å; A241-Y250 HydrophobicContact CB-CD2 3.64Å; A241-Y250 HydrophobicContact CB-CE2 3.69Å; A241-Y250 HydrophobicContact CB-CG 4.23Å
242S94.9Very high93Very high0 Ų032.8 Ų32.80%017%0.169CC..Hα-helixtrans-64.7-18.8177.876.10000114V238 K239 S240 G247 G248 A272 S274 G275V238-S242 WeakPolarHBondContact O-CB 3.3Å; V238-S242 PolarHBondContact O-N 2.83Å; V238-S242 PolarHBondContact O-OG 2.93Å; K239-S242 PolarHBondContact O-N 3.29Å; K239-S242 PolarHBondContact O-OG 3.36Å; S240-S242 VanDerWaalsContact C-N 3.33Å; S240-S242 PolarHBondContact O-N 2.88Å; S242-G247 CarbonylContact O-C 3.17Å; S242-G247 VanDerWaalsContact O-CA 3.22Å; S242-G247 WeakPolarHBondContact O-CA 3.48Å; S242-G248 PolarHBondContact O-N 3.17Å; S242-A272 WeakPolarHBondContact OG-CB 3.45Å; S242-S274 WeakPolarHBondContact O-CA 3.25Å; S242-S274 PolarHBondContact O-N 3.11Å; S242-G275 WeakPolarHBondContact OG-CA 3.25Å; S242-G275 PolarHBondContact OG-N 3.05Å
243M92.6Very high93.2Very high98 Ų9828.9 Ų28.948%0.48315%0.148SC..Hα-helixtrans-88.4-17173.6-68.5-172.9-69.800113.8K239 S240 A241 N245 G246 G247 G275K239-M243 PolarHBondContact O-N 3.12Å; S240-M243 WeakPolarHBondContact O-CB 3.29Å; S240-M243 PolarHBondContact O-N 3.26Å; A241-M243 PolarHBondContact O-N 3.12Å; A241-M243 VanDerWaalsContact O-N 3.16Å; M243-N245 PolarHBondContact O-N 2.9Å; M243-G246 PolarHBondContact O-N 3.24Å; M243-G246 VanDerWaalsContact O-N 3.16Å; M243-G247 PolarHBondContact O-N 3.44Å; M243-G275 VanDerWaalsContact CG-N 3.27Å
244A90.9Very high93.4Very high21 Ų2121.4 Ų21.417%0.17412%0.12CC..G310 helixtrans-55139.9-171.900000111.8Y211 S240 A241 G246 G247Y211-A244 HydrophobicContact CD2-CB 4Å; Y211-A244 HydrophobicContact CE2-CB 4.42Å; S240-A244 PolarHBondContact O-N 2.92Å; A241-A244 VanDerWaalsContact O-CB 3.25Å; A241-A244 WeakPolarHBondContact O-CB 3.35Å; A241-A244 PolarHBondContact O-N 3.36Å; A244-G246 PolarHBondContact O-N 3.4Å; A244-G247 PolarHBondContact O-N 2.92Å
245N83.4Confident93.6Very high43 Ų4321.4 Ų21.423%0.2312%0.12CC..G310 helixtrans50.727.6-178-73-40.5000115.2I208 M243 F311I208-N245 WeakPolarHBondContact CG2-ND2 3.17Å; I208-N245 PolarHBondContact O-ND2 2.86Å; M243-N245 PolarHBondContact O-N 2.9Å; N245-F311 WeakPolarHBondContact O-CA 3.38Å; N245-F311 WeakPolarHBondContact O-CB 3.3Å; N245-F311 WeakPolarHBondContact O-CD2 3.44Å; N245-F311 WeakPolarHBondContact O-CG 3.04Å; N245-F311 PolarHBondContact O-N 3.36Å
246G78Confident93.7Very high20 Ų2021.7 Ų21.721%0.20612%0.121CC..G310 helixtrans98.412.4175.900000115.1M243 A244 S308M243-G246 PolarHBondContact O-N 3.24Å; M243-G246 VanDerWaalsContact O-N 3.16Å; A244-G246 PolarHBondContact O-N 3.4Å; G246-S308 VanDerWaalsContact CA-OG 3.31Å; G246-S308 WeakPolarHBondContact CA-OG 3.42Å
247G79.4Confident93.7Very high1 Ų117.5 Ų17.51%0.0110%0.101CC..  trans104.1147.9160.700000114S242 M243 A244 R305S242-G247 CarbonylContact O-C 3.17Å; S242-G247 VanDerWaalsContact O-CA 3.22Å; S242-G247 WeakPolarHBondContact O-CA 3.48Å; M243-G247 PolarHBondContact O-N 3.44Å; A244-G247 PolarHBondContact O-N 2.92Å; G247-R305 VanDerWaalsContact O-CZ 3.3Å; G247-R305 PolarHBondContact O-NE 3.41Å; G247-R305 PolarHBondContact O-NH2 3.16Å
248G91.8Very high93.8Very high0 Ų015.6 Ų15.60%09%0.091CC..  trans-164.2-174.6173.600000110.9S242 V273 S274S242-G248 PolarHBondContact O-N 3.17Å; G248-V273 WeakPolarHBondContact O-CA 3.4Å; G248-S274 PolarHBondContact O-N 2.8Å
249F96Very high93.8Very high0 Ų015.7 Ų15.70%09%0.092CC..EExtended strand (participates in β ladder)trans-86.8133.7167.2176-134.6000109.4F15 V17 Y211 D216 A217 V218 L219 A251 A271 V273 V294 V296 L301F15-F249 HydrophobicContact CE2-CD1 4.04Å; F15-F249 HydrophobicContact CE2-CE1 4.41Å; F15-F249 HydrophobicContact CZ-CD1 4.22Å; V17-F249 HydrophobicContact CB-CE1 4.17Å; V17-F249 HydrophobicContact CG2-CE1 3.88Å; Y211-F249 PolarHBondContact OH-O 3.12Å; D216-F249 PolarHBondContact O-N 3.29Å; D216-F249 VanDerWaalsContact O-N 3.08Å; A217-F249 CarbonylContact C-O 3.54Å; A217-F249 VanDerWaalsContact CA-O 3.22Å; A217-F249 WeakPolarHBondContact CA-O 3.44Å; A217-F249 HydrophobicContact CB-CB 3.83Å; A217-F249 HydrophobicContact CB-CD1 3.51Å; A217-F249 HydrophobicContact CB-CG 4.11Å; V218-F249 PolarHBondContact N-O 3.21Å; L219-F249 HydrophobicContact CD2-CE1 4.13Å; F249-A251 HydrophobicContact CE1-CB 3.96Å; F249-A251 HydrophobicContact CE2-CB 4.09Å; F249-A251 HydrophobicContact CZ-CB 3.52Å; F249-A271 HydrophobicContact CE2-CB 3.77Å; F249-A271 HydrophobicContact CZ-CB 4.29Å; F249-V273 HydrophobicContact CB-CG2 4.45Å; F249-V273 HydrophobicContact CD2-CG2 3.76Å; F249-V294 HydrophobicContact CE2-CG1 3.94Å; F249-V294 HydrophobicContact CZ-CB 4.21Å; F249-V294 HydrophobicContact CZ-CG1 4.06Å; F249-V296 HydrophobicContact CB-CG1 4.36Å; F249-V296 HydrophobicContact CB-CG2 4.46Å; F249-V296 HydrophobicContact CD1-CG2 3.93Å; F249-V296 HydrophobicContact CD2-CG2 3.8Å; F249-V296 HydrophobicContact CE1-CG2 4.1Å; F249-V296 HydrophobicContact CE2-CG2 3.92Å; F249-V296 HydrophobicContact CG-CG2 3.82Å; F249-V296 HydrophobicContact CZ-CG2 4.09Å; F249-L301 HydrophobicContact CB-CD1 4.2Å
250Y97.9Very high93.6Very high0 Ų016 Ų160%010%0.101CC..EExtended strand (participates in β ladder)trans-127.9130171.1-162.8-75.8000108.4E195 L200 H207 V218 N220 V238 A241 A271 A272E195-Y250 WeakPolarHBondContact OE2-CE2 3.22Å; E195-Y250 VanDerWaalsContact OE2-CZ 3.27Å; E195-Y250 PolarHBondContact OE2-OH 3.22Å; L200-Y250 HydrophobicContact CD1-CE2 4.43Å; L200-Y250 HydrophobicContact CD2-CE1 4.46Å; H207-Y250 HydrophobicContact CB-CE2 4.38Å; V218-Y250 HydrophobicContact CB-CD2 3.79Å; V218-Y250 HydrophobicContact CB-CE2 3.98Å; V218-Y250 HydrophobicContact CG1-CD2 3.96Å; V218-Y250 HydrophobicContact CG1-CE2 3.6Å; V218-Y250 WeakPolarHBondContact O-CA 3.33Å; N220-Y250 HydrophobicContact CB-CE1 3.7Å; N220-Y250 WeakPolarHBondContact CB-OH 3.18Å; N220-Y250 PolarHBondContact ND2-OH 3.42Å; V238-Y250 HydrophobicContact CB-CD1 4.38Å; V238-Y250 HydrophobicContact CG1-CD1 3.72Å; V238-Y250 HydrophobicContact CG1-CE1 4.44Å; V238-Y250 HydrophobicContact CG1-CG 4.39Å; V238-Y250 HydrophobicContact CG2-CD1 4.14Å; V238-Y250 HydrophobicContact CG2-CE1 4.02Å; A241-Y250 HydrophobicContact CB-CD2 3.64Å; A241-Y250 HydrophobicContact CB-CE2 3.69Å; A241-Y250 HydrophobicContact CB-CG 4.23Å; Y250-A271 CarbonylContact O-C 3.55Å; Y250-A271 WeakPolarHBondContact O-CA 3.37Å; Y250-A272 PolarHBondContact N-O 3.07Å; Y250-A272 PolarHBondContact O-N 2.8Å
251A97.5Very high93.3Very high0 Ų014.1 Ų14.10%09%0.092CC..EExtended strand (participates in β ladder)trans-128.9142.9178.100000110.4L19 V218 L219 N220 F249 L270 A271L19-A251 HydrophobicContact CD1-CB 4.33Å; L19-A251 HydrophobicContact CD2-CB 3.45Å; L19-A251 VanDerWaalsContact CD2-CB 3.45Å; V218-A251 PolarHBondContact O-N 3.03Å; L219-A251 HydrophobicContact CD2-CB 3.67Å; N220-A251 PolarHBondContact N-O 3.22Å; F249-A251 HydrophobicContact CE1-CB 3.96Å; F249-A251 HydrophobicContact CE2-CB 4.09Å; F249-A251 HydrophobicContact CZ-CB 3.52Å; A251-L270 CarbonylContact C-O 3.58Å; A251-L270 WeakPolarHBondContact CA-O 3.44Å; A251-A271 HydrophobicContact CB-CB 4.47Å
252Y98Very high93.1Very high0 Ų015.6 Ų15.60%010%0.097CC..EExtended strand (participates in β ladder)trans-131.3129.9-173.8178.2-80.8000109N220 S222 S224 R234 V238 N254 A269 L270N220-Y252 HydrophobicContact CB-CD2 4.06Å; N220-Y252 WeakPolarHBondContact O-CA 3.38Å; S222-Y252 WeakPolarHBondContact CB-OH 3.43Å; S222-Y252 WeakPolarHBondContact OG-CE2 3.44Å; S222-Y252 VanDerWaalsContact OG-CZ 3.27Å; S222-Y252 PolarHBondContact OG-OH 3.26Å; S224-Y252 WeakPolarHBondContact CB-OH 3.48Å; R234-Y252 HydrophobicContact CG-CE2 4.47Å; R234-Y252 PolarHBondContact NE-OH 3.16Å; V238-Y252 HydrophobicContact CG2-CD2 4.39Å; V238-Y252 HydrophobicContact CG2-CG 4.5Å; Y252-N254 HydrophobicContact CE1-CB 3.92Å; Y252-A269 VanDerWaalsContact O-CA 3.27Å; Y252-A269 WeakPolarHBondContact O-CA 3.41Å; Y252-L270 PolarHBondContact N-O 3.18Å; Y252-L270 PolarHBondContact O-N 2.74Å
253T98Very high93.1Very high0 Ų016.3 Ų16.30%010%0.103CC..EExtended strand (participates in β ladder)trans-122.5157173.859.80000110.7L19 C20 V52 G53 N220 S222L19-T253 HydrophobicContact CB-CG2 3.82Å; L19-T253 HydrophobicContact CD2-CG2 3.99Å; L19-T253 HydrophobicContact CG-CG2 4.48Å; C20-T253 WeakPolarHBondContact O-CB 3.48Å; V52-T253 HydrophobicContact CB-CG2 4.36Å; V52-T253 HydrophobicContact CG1-CG2 3.63Å; V52-T253 HydrophobicContact CG2-CG2 4.1Å; G53-T253 PolarHBondContact O-OG1 3.2Å; N220-T253 PolarHBondContact O-N 3.02Å; N220-T253 PolarHBondContact O-OG1 3.01Å; S222-T253 VanDerWaalsContact CB-O 3.22Å; S222-T253 WeakPolarHBondContact CB-O 3.44Å; S222-T253 PolarHBondContact N-O 2.93Å
254N98Very high93.3Very high0 Ų011.7 Ų11.70%08%0.081CC..  trans-145.9160.5-175.2-155.612.5000112.1V21 P54 S222 A223 S224 R234 Y252 D266 G267V21-N254 WeakPolarHBondContact CA-O 3.22Å; P54-N254 WeakPolarHBondContact CG-O 3.25Å; S222-N254 WeakPolarHBondContact O-CA 3.44Å; S222-N254 PolarHBondContact O-OD1 3.41Å; A223-N254 WeakPolarHBondContact CA-OD1 3.24Å; S224-N254 PolarHBondContact N-OD1 3.35Å; S224-N254 PolarHBondContact O-ND2 3.4Å; R234-N254 PolarHBondContact NH1-ND2 3.03Å; Y252-N254 HydrophobicContact CE1-CB 3.92Å; N254-D266 PolarHBondContact ND2-OD1 3.11Å; N254-G267 WeakPolarHBondContact CB-O 3.44Å; N254-G267 PolarHBondContact ND2-O 2.98Å; N254-G267 VanDerWaalsContact ND2-O 3.12Å
255L98Very high93.6Very high1 Ų111 Ų111%0.0057%0.074CC..BIsolated β-bridgetrans-66.9163.7161.7-69.9177.2000110.6L22 Q24 P54 S222 A223 Y265 G267L22-L255 WeakPolarHBondContact O-CA 3.36Å; Q24-L255 HydrophobicContact CB-CD2 3.93Å; Q24-L255 HydrophobicContact CG-CD2 3.67Å; P54-L255 HydrophobicContact CB-CD2 3.57Å; P54-L255 HydrophobicContact CB-CG 3.76Å; P54-L255 HydrophobicContact CG-CD2 4.02Å; S222-L255 PolarHBondContact O-N 3.04Å; A223-L255 HydrophobicContact CB-CD1 3.74Å; A223-L255 HydrophobicContact CB-CG 4.24Å; L255-Y265 HydrophobicContact CB-CD1 4.07Å; L255-Y265 HydrophobicContact CB-CD2 3.75Å; L255-Y265 HydrophobicContact CB-CE2 4.47Å; L255-Y265 HydrophobicContact CB-CG 3.54Å; L255-Y265 HydrophobicContact CD1-CD1 4.49Å; L255-Y265 HydrophobicContact CD1-CD2 4.14Å; L255-Y265 HydrophobicContact CD1-CE1 4.35Å; L255-Y265 HydrophobicContact CD1-CE2 4.04Å; L255-Y265 HydrophobicContact CD1-CG 4.4Å; L255-Y265 WeakPolarHBondContact O-CB 3.37Å; L255-G267 WeakPolarHBondContact O-CA 3.45Å; L255-G267 PolarHBondContact O-N 3.11Å
256R97.2Very high94.2Very high17 Ų179 Ų96%0.0646%0.063CC..EExtended strand (participates in β ladder)trans-134.1147.6170.9176.6168.968.8-160.4-10.8110.7V21 L22 N23 Y265 G285 G287 L374V21-R256 HydrophobicContact CG1-CB 3.48Å; V21-R256 VanDerWaalsContact CG1-CB 3.48Å; V21-R256 HydrophobicContact CG1-CG 4.42Å; L22-R256 PolarHBondContact O-N 2.91Å; N23-R256 VanDerWaalsContact CA-O 3.23Å; N23-R256 WeakPolarHBondContact CA-O 3.44Å; N23-R256 WeakPolarHBondContact CB-O 3.5Å; N23-R256 VanDerWaalsContact CG-O 3.23Å; N23-R256 PolarHBondContact OD1-O 3.01Å; R256-Y265 CarbonylContact C-O 3.55Å; R256-Y265 VanDerWaalsContact CA-O 3.3Å; R256-Y265 WeakPolarHBondContact CA-O 3.5Å; R256-G285 WeakPolarHBondContact CD-O 3.31Å; R256-G285 PolarHBondContact NE-O 3.15Å; R256-G287 PolarHBondContact NE-O 2.69Å; R256-G287 VanDerWaalsContact NE-O 3.13Å; R256-G287 PolarHBondContact NH2-O 2.98Å; R256-L374 HydrophobicContact CG-CD2 3.98Å
257G97.3Very high95Very high0 Ų08.1 Ų8.10%05%0.053CC..EExtended strand (participates in β ladder)trans83.2-173.1174.600000113.6C264 Y265 D378G257-C264 CarbonylContact O-C 3.49Å; G257-C264 WeakPolarHBondContact O-CA 2.95Å; G257-Y265 PolarHBondContact N-O 3.29Å; G257-Y265 WeakPolarHBondContact O-CD2 3.29Å; G257-Y265 PolarHBondContact O-N 2.91Å; G257-D378 WeakPolarHBondContact CA-OD2 3.47Å
258C97.2Very high95.7Very high5 Ų58.1 Ų8.13%0.0345%0.053CC..EExtended strand (participates in β ladder)trans-86132.4174.3-178.90000109.2G261 W375 D378 R382C258-G261 PolarHBondContact SG-O 3.3Å; C258-W375 HydrophobicContact CB-CG 4.43Å; C258-D378 HydrophobicContact CB-CB 3.7Å; C258-D378 PolarHBondContact N-OD2 2.89Å; C258-R382 PolarHBondContact O-NH1 2.92Å; C258-R382 PolarHBondContact O-NH2 3Å
259D96.7Very high95.9Very high2 Ų28.2 Ų8.21%0.0115%0.054CC..SBendtrans-107.2-18.8176.881.3-23.2000115.5Q24 W25 A26 S60 Y61 G62 Y265Q24-D259 WeakPolarHBondContact O-CB 3.49Å; W25-D259 VanDerWaalsContact CD1-O 3.22Å; A26-D259 WeakPolarHBondContact CB-O 3.4Å; A26-D259 PolarHBondContact N-O 3.05Å; S60-D259 VanDerWaalsContact OG-CB 3.23Å; S60-D259 WeakPolarHBondContact OG-CB 3.17Å; S60-D259 PolarHBondContact OG-OD2 2.67Å; Y61-D259 PolarHBondContact N-OD2 3.07Å; G62-D259 WeakPolarHBondContact CA-OD2 3.4Å; G62-D259 PolarHBondContact N-OD2 2.85Å; D259-Y265 HydrophobicContact CB-CE2 3.86Å; D259-Y265 VanDerWaalsContact CG-CE2 3.43Å; D259-Y265 WeakPolarHBondContact OD1-CE2 3.49Å; D259-Y265 PolarHBondContact OD1-OH 3.18Å; D259-Y265 PolarHBondContact OD2-OH 2.84Å
260S90.9Very high95.9Very high59 Ų598.2 Ų8.241%0.4135%0.054SC..SBendtrans-165.5-18.5-17056.30000115.6G62G62-S260 WeakPolarHBondContact CA-OG 3.24Å; G62-S260 WeakPolarHBondContact O-CB 3.09Å; G62-S260 PolarHBondContact O-OG 2.92Å
261G88.7Confident95.8Very high28 Ų288.2 Ų8.229%0.2895%0.054SC..SBendtrans-174-124.8-170.200000114.8C258 W375C258-G261 PolarHBondContact SG-O 3.3Å; G261-W375 PolarHBondContact O-NE1 3.44Å
262R93.7Very high95.6Very high32 Ų328.2 Ų8.212%0.1215%0.054CC..SBendtrans-80.1-25.8-171.4-63178.1-169.4-99.4-7.4113.7P723 P724 A725 H727 D734 N736R262-P723 PolarHBondContact NH1-O 3.48Å; R262-P724 HydrophobicContact CG-CB 4.46Å; R262-A725 VanDerWaalsContact CB-O 3.27Å; R262-A725 WeakPolarHBondContact CB-O 3.18Å; R262-A725 WeakPolarHBondContact CG-O 3.42Å; R262-H727 PolarHBondContact O-N 2.66Å; R262-H727 VanDerWaalsContact O-N 3.13Å; R262-D734 IonicContact CZ-OD2 3.96Å; R262-D734 IonicContact NE-OD1 3Å; R262-D734 IonicContact NE-OD2 2.76Å; R262-D734 PolarHBondContact NE-OD2 3.16Å; R262-D734 IonicContact NH1-OD2 3.43Å; R262-D734 PolarHBondContact NH1-OD2 2.94Å; R262-D734 IonicContact NH2-OD2 3.21Å; R262-N736 PolarHBondContact NH2-ND2 3.01Å
263A94.8Very high95.4Very high16 Ų168.8 Ų8.813%0.1326%0.057CC..  trans-78.1138.3-179.700000110.7L136 H225L136-A263 HydrophobicContact CD1-CB 4.2Å; H225-A263 HydrophobicContact CB-CB 4.1Å
264C96.1Very high95.1Very high1 Ų110.1 Ų10.11%0.0077%0.066CC..EExtended strand (participates in β ladder)trans-121.9131165.3-173.10000107.9H225 H226 G257 W375 Y726H225-C264 CarbonylContact C-O 3.6Å; H225-C264 WeakPolarHBondContact CA-O 3.46Å; H226-C264 WeakPolarHBondContact CB-O 3.4Å; H226-C264 PolarHBondContact N-O 2.92Å; G257-C264 CarbonylContact O-C 3.49Å; G257-C264 WeakPolarHBondContact O-CA 2.95Å; C264-W375 HydrophobicContact CB-CB 4.22Å; C264-W375 HydrophobicContact CB-CG 4.49Å; C264-Y726 HydrophobicContact CB-CD2 4.08Å; C264-Y726 HydrophobicContact CB-CE2 3.31Å
265Y97.5Very high94.7Very high7 Ų710.8 Ų10.83%0.0277%0.074CC..EExtended strand (participates in β ladder)trans-89.2136.3177.2-50.4-84.9000109.6Y61 A223 H225 L255 R256 G257 D259Y61-Y265 HydrophobicContact CD1-CE1 4.38Å; Y61-Y265 VanDerWaalsContact CD1-OH 3.25Å; Y61-Y265 WeakPolarHBondContact CD1-OH 3.14Å; A223-Y265 HydrophobicContact CB-CD1 4.37Å; A223-Y265 HydrophobicContact CB-CE1 3.98Å; A223-Y265 VanDerWaalsContact O-CE1 3.32Å; A223-Y265 WeakPolarHBondContact O-CE1 3.1Å; H225-Y265 HydrophobicContact CB-CD1 4.27Å; H225-Y265 HydrophobicContact CB-CE1 4.36Å; L255-Y265 HydrophobicContact CB-CD1 4.07Å; L255-Y265 HydrophobicContact CB-CD2 3.75Å; L255-Y265 HydrophobicContact CB-CE2 4.47Å; L255-Y265 HydrophobicContact CB-CG 3.54Å; L255-Y265 HydrophobicContact CD1-CD1 4.49Å; L255-Y265 HydrophobicContact CD1-CD2 4.14Å; L255-Y265 HydrophobicContact CD1-CE1 4.35Å; L255-Y265 HydrophobicContact CD1-CE2 4.04Å; L255-Y265 HydrophobicContact CD1-CG 4.4Å; L255-Y265 WeakPolarHBondContact O-CB 3.37Å; R256-Y265 CarbonylContact C-O 3.55Å; R256-Y265 VanDerWaalsContact CA-O 3.3Å; R256-Y265 WeakPolarHBondContact CA-O 3.5Å; G257-Y265 PolarHBondContact N-O 3.29Å; G257-Y265 WeakPolarHBondContact O-CD2 3.29Å; G257-Y265 PolarHBondContact O-N 2.91Å; D259-Y265 HydrophobicContact CB-CE2 3.86Å; D259-Y265 VanDerWaalsContact CG-CE2 3.43Å; D259-Y265 WeakPolarHBondContact OD1-CE2 3.49Å; D259-Y265 PolarHBondContact OD1-OH 3.18Å; D259-Y265 PolarHBondContact OD2-OH 2.84Å
266D95.7Very high94.4Very high1 Ų116.3 Ų16.31%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-98.418.9-167.776.6-24.9000113.1H226 R234 N254 C268 Q283 F284H226-D266 HydrophobicContact CB-CB 3.96Å; R234-D266 IonicContact CZ-OD1 2.98Å; R234-D266 VanDerWaalsContact CZ-OD1 3.28Å; R234-D266 IonicContact CZ-OD2 2.72Å; R234-D266 IonicContact NH1-OD1 2.86Å; R234-D266 PolarHBondContact NH1-OD1 3.36Å; R234-D266 IonicContact NH1-OD2 3.59Å; R234-D266 IonicContact NH2-OD1 3.64Å; R234-D266 PolarHBondContact NH2-OD1 3.34Å; R234-D266 IonicContact NH2-OD2 3.47Å; N254-D266 PolarHBondContact ND2-OD1 3.11Å; D266-C268 PolarHBondContact O-N 3.14Å; D266-Q283 CarbonylContact C-O 3.59Å; D266-Q283 HydrophobicContact CB-CG 3.66Å; D266-Q283 CarbonylContact O-C 3.51Å; D266-Q283 WeakPolarHBondContact O-CA 3.15Å; D266-Q283 VanDerWaalsContact O-CG 3.3Å; D266-Q283 WeakPolarHBondContact O-CG 3.36Å; D266-Q283 PolarHBondContact OD2-NE2 3.02Å; D266-F284 HydrophobicContact CB-CE1 3.97Å; D266-F284 HydrophobicContact CB-CZ 4.44Å
267G94.4Very high94.2Very high0 Ų016.4 Ų16.40%010%0.102CC..  trans53.9-115.6-178.900000111.7R234 N254 L255R234-G267 PolarHBondContact NH1-O 3.39Å; N254-G267 WeakPolarHBondContact CB-O 3.44Å; N254-G267 PolarHBondContact ND2-O 2.98Å; N254-G267 VanDerWaalsContact ND2-O 3.12Å; L255-G267 WeakPolarHBondContact O-CA 3.45Å; L255-G267 PolarHBondContact O-N 3.11Å
268C94.3Very high93.9Very high2 Ų218 Ų181%0.01411%0.111CC..  trans55.162.7-177.3-870000112.7L231 D266 L270 L280 S281 P282 Q283L231-C268 HydrophobicContact CD1-CB 3.83Å; D266-C268 PolarHBondContact O-N 3.14Å; C268-L270 PolarHBondContact O-N 3.28Å; C268-L280 HydrophobicContact CB-CD1 4.34Å; C268-S281 WeakPolarHBondContact CA-OG 3.35Å; C268-P282 PolarHBondContact N-O 2.98Å; C268-Q283 WeakPolarHBondContact SG-CA 3.37Å; C268-Q283 WeakPolarHBondContact SG-CB 3.32Å
269A95.7Very high93.7Very high1 Ų119.5 Ų19.51%0.00812%0.118CC..  trans-58.7135161.800000109.3L19 V21 Y252 F279 L280 S281L19-A269 HydrophobicContact CB-CB 3.97Å; L19-A269 HydrophobicContact CD1-CB 4.41Å; V21-A269 HydrophobicContact CG2-CB 3.65Å; Y252-A269 VanDerWaalsContact O-CA 3.27Å; Y252-A269 WeakPolarHBondContact O-CA 3.41Å; A269-F279 HydrophobicContact CB-CE1 4.2Å; A269-L280 CarbonylContact O-C 3.48Å; A269-L280 WeakPolarHBondContact O-CA 3.48Å; A269-S281 PolarHBondContact N-OG 3.09Å; A269-S281 PolarHBondContact O-N 3.01Å
270L95.8Very high93.6Very high1 Ų120.5 Ų20.51%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-139.5140.1-169.6171.164.7000109.1I235 V238 A251 Y252 C268 V277 F279 L280I235-L270 HydrophobicContact CB-CD2 4.43Å; I235-L270 HydrophobicContact CG1-CD2 4.05Å; V238-L270 HydrophobicContact CB-CD2 3.55Å; V238-L270 HydrophobicContact CB-CG 4.19Å; V238-L270 HydrophobicContact CG1-CD2 3.8Å; V238-L270 HydrophobicContact CG1-CG 3.86Å; V238-L270 HydrophobicContact CG2-CD2 3.71Å; V238-L270 HydrophobicContact CG2-CG 4.44Å; A251-L270 CarbonylContact C-O 3.58Å; A251-L270 WeakPolarHBondContact CA-O 3.44Å; Y252-L270 PolarHBondContact N-O 3.18Å; Y252-L270 PolarHBondContact O-N 2.74Å; C268-L270 PolarHBondContact O-N 3.28Å; L270-V277 HydrophobicContact CD1-CG1 3.61Å; L270-V277 HydrophobicContact CD1-CG2 4.25Å; L270-F279 WeakPolarHBondContact CA-O 3.41Å; L270-F279 WeakPolarHBondContact CD1-O 3.34Å; L270-L280 HydrophobicContact CB-CD1 4.37Å; L270-L280 HydrophobicContact CD1-CB 4.39Å; L270-L280 HydrophobicContact CD1-CD1 4.14Å
271A95.8Very high93.7Very high0 Ų018.1 Ų18.10%011%0.106CC..EExtended strand (participates in β ladder)trans-138.1139.5175.800000110.5L19 F249 Y250 A251 T278 F279 V294L19-A271 HydrophobicContact CD1-CB 3.88Å; F249-A271 HydrophobicContact CE2-CB 3.77Å; F249-A271 HydrophobicContact CZ-CB 4.29Å; Y250-A271 CarbonylContact O-C 3.55Å; Y250-A271 WeakPolarHBondContact O-CA 3.37Å; A251-A271 HydrophobicContact CB-CB 4.47Å; A271-T278 PolarHBondContact O-N 3.22Å; A271-T278 PolarHBondContact O-OG1 2.86Å; A271-F279 HydrophobicContact CB-CB 3.96Å; A271-F279 PolarHBondContact N-O 3.31Å; A271-F279 PolarHBondContact O-N 3.4Å; A271-V294 HydrophobicContact CB-CG1 4.26Å; A271-V294 HydrophobicContact CB-CG2 3.89Å
272A94.9Very high93.9Very high0 Ų021.6 Ų21.60%012%0.124CC..EExtended strand (participates in β ladder)trans-138.4147.3178.200000111.6V238 S242 Y250 Q276V238-A272 HydrophobicContact CG1-CB 3.9Å; S242-A272 WeakPolarHBondContact OG-CB 3.45Å; Y250-A272 PolarHBondContact N-O 3.07Å; Y250-A272 PolarHBondContact O-N 2.8Å; A272-Q276 CarbonylContact C-O 3.53Å; A272-Q276 WeakPolarHBondContact CA-O 3.48Å; A272-Q276 WeakPolarHBondContact CB-O 3.27Å
273V93.1Very high93.8Very high12 Ų1220.5 Ų20.57%0.07312%0.12CC..EExtended strand (participates in β ladder)trans-126110.1176.9175.80000109.4G248 F249 G275 Q276 T278 V296 L301G248-V273 WeakPolarHBondContact O-CA 3.4Å; F249-V273 HydrophobicContact CB-CG2 4.45Å; F249-V273 HydrophobicContact CD2-CG2 3.76Å; V273-G275 VanDerWaalsContact C-N 3.29Å; V273-G275 PolarHBondContact O-N 3.34Å; V273-Q276 PolarHBondContact N-O 3.2Å; V273-Q276 PolarHBondContact O-N 3.27Å; V273-T278 HydrophobicContact CB-CG2 3.94Å; V273-T278 HydrophobicContact CG2-CG2 3.78Å; V273-V296 HydrophobicContact CG2-CG1 4.36Å; V273-V296 HydrophobicContact CG2-CG2 4.48Å; V273-L301 HydrophobicContact CG1-CD2 3.44Å; V273-L301 VanDerWaalsContact CG1-CD2 3.44Å
274S90.8Very high93.8Very high27 Ų2720.7 Ų20.719%0.18912%0.118CC..THydrogen-bonded Turntrans50.346.5177.4-46.80000113.5S242 G248S242-S274 WeakPolarHBondContact O-CA 3.25Å; S242-S274 PolarHBondContact O-N 3.11Å; G248-S274 PolarHBondContact O-N 2.8Å
275G91.1Very high93.7Very high15 Ų1521.4 Ų21.416%0.15513%0.125CC..THydrogen-bonded Turntrans92.8-11.817600000115.7S242 M243 V273S242-G275 WeakPolarHBondContact OG-CA 3.25Å; S242-G275 PolarHBondContact OG-N 3.05Å; M243-G275 VanDerWaalsContact CG-N 3.27Å; V273-G275 VanDerWaalsContact C-N 3.29Å; V273-G275 PolarHBondContact O-N 3.34Å
276Q91.3Very high93.5Very high117 Ų11721.5 Ų21.555%0.54713%0.126SC..EExtended strand (participates in β ladder)trans-98.3123.1178.1-174.4177.61.700110A272 V273 T278A272-Q276 CarbonylContact C-O 3.53Å; A272-Q276 WeakPolarHBondContact CA-O 3.48Å; A272-Q276 WeakPolarHBondContact CB-O 3.27Å; V273-Q276 PolarHBondContact N-O 3.2Å; V273-Q276 PolarHBondContact O-N 3.27Å; Q276-T278 PolarHBondContact O-N 3.03Å
277V93.1Very high93.3Very high18 Ų1821.5 Ų21.511%0.10913%0.126CC..EExtended strand (participates in β ladder)trans-64.9123.4169.8178.90000108.6I235 K239 L270 V357 T359I235-V277 HydrophobicContact CG2-CG2 4.11Å; K239-V277 HydrophobicContact CD-CG2 3.8Å; K239-V277 HydrophobicContact CG-CG2 3.57Å; L270-V277 HydrophobicContact CD1-CG1 3.61Å; L270-V277 HydrophobicContact CD1-CG2 4.25Å; V277-V357 HydrophobicContact CG1-CG1 4.25Å; V277-T359 HydrophobicContact CB-CG2 4.28Å; V277-T359 HydrophobicContact CG1-CG2 4.02Å
278T91Very high93.3Very high33 Ų3322.1 Ų22.120%0.20213%0.129CC..EExtended strand (participates in β ladder)trans-105.7-16.5179.655.60000112.5A271 V273 Q276 V357A271-T278 PolarHBondContact O-N 3.22Å; A271-T278 PolarHBondContact O-OG1 2.86Å; V273-T278 HydrophobicContact CB-CG2 3.94Å; V273-T278 HydrophobicContact CG2-CG2 3.78Å; Q276-T278 PolarHBondContact O-N 3.03Å; T278-V357 VanDerWaalsContact C-CG2 3.41Å; T278-V357 VanDerWaalsContact O-CG2 3.23Å; T278-V357 WeakPolarHBondContact O-CG2 3.3Å
279F92.9Very high93.4Very high37 Ų3723.1 Ų23.116%0.16214%0.136CC..EExtended strand (participates in β ladder)trans-159.7138178.5178.1-98.3000110.5L19 A269 L270 A271 E292 V294L19-F279 HydrophobicContact CD1-CD1 4Å; L19-F279 HydrophobicContact CD1-CE1 4.49Å; A269-F279 HydrophobicContact CB-CE1 4.2Å; L270-F279 WeakPolarHBondContact CA-O 3.41Å; L270-F279 WeakPolarHBondContact CD1-O 3.34Å; A271-F279 HydrophobicContact CB-CB 3.96Å; A271-F279 PolarHBondContact N-O 3.31Å; A271-F279 PolarHBondContact O-N 3.4Å; F279-E292 HydrophobicContact CE1-CB 3.85Å; F279-E292 HydrophobicContact CE1-CG 4.3Å; F279-E292 HydrophobicContact CE2-CB 3.96Å; F279-E292 HydrophobicContact CE2-CG 4.2Å; F279-E292 HydrophobicContact CZ-CB 3.4Å; F279-E292 VanDerWaalsContact CZ-CB 3.4Å; F279-E292 HydrophobicContact CZ-CG 3.54Å; F279-V294 HydrophobicContact CB-CG2 3.73Å; F279-V294 HydrophobicContact CD1-CG2 4.32Å; F279-V294 HydrophobicContact CG-CG2 3.98Å
280L94.1Very high93.4Very high24 Ų2424.3 Ų24.313%0.12614%0.143CC..EExtended strand (participates in β ladder)trans-140.5122169.1175.464000108.1I235 C268 A269 L270 V357I235-L280 HydrophobicContact CD1-CD2 4.04Å; C268-L280 HydrophobicContact CB-CD1 4.34Å; A269-L280 CarbonylContact O-C 3.48Å; A269-L280 WeakPolarHBondContact O-CA 3.48Å; L270-L280 HydrophobicContact CB-CD1 4.37Å; L270-L280 HydrophobicContact CD1-CB 4.39Å; L270-L280 HydrophobicContact CD1-CD1 4.14Å; L280-V357 HydrophobicContact CB-CG1 4.49Å
281S93.2Very high93.5Very high8 Ų824.9 Ų24.96%0.05615%0.147CC..  trans-81.6160.3174.582.20000111.1C268 A269C268-S281 WeakPolarHBondContact CA-OG 3.35Å; A269-S281 PolarHBondContact N-OG 3.09Å; A269-S281 PolarHBondContact O-N 3.01Å
282P92Very high93.4Very high101 Ų10128.8 Ų28.866%0.65617%0.165SC*.  trans-52.2146.4168.2-24.934.4000111.8C268C268-P282 PolarHBondContact N-O 2.98Å
283Q92.8Very high93.4Very high10 Ų1029.9 Ų29.95%0.04717%0.172CC..SBendtrans-70.1-69.8178.5-166.4171.517.700110D266 C268 L362D266-Q283 CarbonylContact C-O 3.59Å; D266-Q283 HydrophobicContact CB-CG 3.66Å; D266-Q283 CarbonylContact O-C 3.51Å; D266-Q283 WeakPolarHBondContact O-CA 3.15Å; D266-Q283 VanDerWaalsContact O-CG 3.3Å; D266-Q283 WeakPolarHBondContact O-CG 3.36Å; D266-Q283 PolarHBondContact OD2-NE2 3.02Å; C268-Q283 WeakPolarHBondContact SG-CA 3.37Å; C268-Q283 WeakPolarHBondContact SG-CB 3.32Å; Q283-L362 HydrophobicContact CB-CD1 4.4Å
284F95.4Very high93.4Very high19 Ų1929.9 Ų29.98%0.08317%0.172CC..SBendtrans-91.8152.3179.8-50.1-74.7000111.6H226 D266 L362 E367 Y370 L374H226-F284 HydrophobicContact CB-CE1 4.47Å; H226-F284 AromaticContact CD2-CZ 3.71Å; H226-F284 AromaticContact CG-CZ 4Å; H226-F284 AromaticContact NE2-CZ 3.77Å; D266-F284 HydrophobicContact CB-CE1 3.97Å; D266-F284 HydrophobicContact CB-CZ 4.44Å; F284-L362 HydrophobicContact CD2-CD1 3.9Å; F284-L362 HydrophobicContact CE2-CD1 3.93Å; F284-E367 HydrophobicContact CE2-CB 4.4Å; F284-E367 HydrophobicContact CE2-CG 4.37Å; F284-Y370 HydrophobicContact CD2-CG 4.18Å; F284-L374 HydrophobicContact CB-CD2 4.39Å; F284-L374 HydrophobicContact CD1-CD2 4.27Å
285G92.7Very high93.4Very high16 Ų1629.7 Ų29.717%0.16517%0.17CC..  trans-175.1149.8177.300000112.9R256 L374R256-G285 WeakPolarHBondContact CD-O 3.31Å; R256-G285 PolarHBondContact NE-O 3.15Å; G285-L374 WeakPolarHBondContact O-CD1 3.45Å
286F92.9Very high93.4Very high10 Ų1029.4 Ų29.44%0.04417%0.165CC..  trans-94.6-6.5-173.1-80.648000113.1L374 W377 L408 Q411 I412 A415 V423F286-L374 HydrophobicContact CD1-CD1 3.99Å; F286-L374 HydrophobicContact CE1-CB 4.32Å; F286-L374 HydrophobicContact CE1-CD1 4.06Å; F286-W377 HydrophobicContact CD2-CB 4.47Å; F286-W377 AromaticContact CD2-CD1 3.55Å; F286-W377 HydrophobicContact CD2-CD2 4.12Å; F286-W377 AromaticContact CD2-CG 3.8Å; F286-W377 HydrophobicContact CD2-CG 3.8Å; F286-W377 AromaticContact CD2-NE1 3.7Å; F286-W377 HydrophobicContact CE2-CB 3.71Å; F286-W377 AromaticContact CE2-CD1 3.66Å; F286-W377 AromaticContact CE2-CD2 3.87Å; F286-W377 HydrophobicContact CE2-CD2 3.87Å; F286-W377 AromaticContact CE2-CG 3.43Å; F286-W377 HydrophobicContact CE2-CG 3.43Å; F286-W377 VanDerWaalsContact CE2-CG 3.43Å; F286-W377 HydrophobicContact CZ-CB 3.97Å; F286-W377 HydrophobicContact CZ-CG 4.16Å; F286-L408 HydrophobicContact CE2-CD1 3.69Å; F286-L408 HydrophobicContact CZ-CD1 3.61Å; F286-Q411 HydrophobicContact CD1-CB 4.48Å; F286-Q411 HydrophobicContact CE1-CB 3.85Å; F286-Q411 VanDerWaalsContact CE1-OE1 3.23Å; F286-Q411 HydrophobicContact CE2-CB 4.42Å; F286-Q411 HydrophobicContact CZ-CB 3.81Å; F286-I412 HydrophobicContact CD2-CG1 4.12Å; F286-I412 HydrophobicContact CE2-CG1 3.54Å; F286-A415 HydrophobicContact CB-CB 4.14Å; F286-V423 HydrophobicContact CB-CG2 3.87Å
287G91.6Very high93.2Very high1 Ų125.7 Ų25.71%0.0115%0.151CC..  trans-6214717300000111.3R256R256-G287 PolarHBondContact NE-O 2.69Å; R256-G287 VanDerWaalsContact NE-O 3.13Å; R256-G287 PolarHBondContact NH2-O 2.98Å
288D94.7Very high93.1Very high12 Ų1224.8 Ų24.86%0.06415%0.146CC..SBendtrans-81.3-30.5171.8-9915.2000111.4L22 N23 R34 R35 R381L22-D288 WeakPolarHBondContact CA-O 3.45Å; N23-D288 PolarHBondContact N-O 3.41Å; R34-D288 IonicContact NH2-OD2 2.7Å; R35-D288 HydrophobicContact CG-CB 4.41Å; R35-D288 IonicContact CZ-OD2 2.79Å; R35-D288 IonicContact NE-OD2 3Å; R35-D288 PolarHBondContact NE-OD2 3.34Å; R35-D288 IonicContact NH2-OD2 3.9Å; D288-R381 IonicContact OD1-CZ 2.71Å; D288-R381 IonicContact OD1-NH1 3.28Å; D288-R381 PolarHBondContact OD1-NH1 3.07Å; D288-R381 IonicContact OD1-NH2 2.87Å; D288-R381 PolarHBondContact OD1-NH2 3.01Å
289V96.7Very high92.9Very high24 Ų2426.2 Ų26.215%0.14515%0.153CC..EExtended strand (participates in β ladder)trans-131.6128.4-178.4-178.20000108.7L22 R35 E38 V291L22-V289 HydrophobicContact CD2-CB 4.29Å; L22-V289 HydrophobicContact CD2-CG1 3.93Å; L22-V289 HydrophobicContact CD2-CG2 4.13Å; R35-V289 HydrophobicContact CB-CG2 3.79Å; R35-V289 HydrophobicContact CG-CG2 3.91Å; E38-V289 HydrophobicContact CB-CG2 4.39Å; E38-V289 HydrophobicContact CG-CG1 4.45Å; E38-V289 HydrophobicContact CG-CG2 4.31Å; V289-V291 HydrophobicContact CG1-CG2 3.85Å
290S95.9Very high92.6Very high25 Ų2527 Ų2718%0.17516%0.162CC..EExtended strand (participates in β ladder)trans-129.4129.4168.1170.10000108.1C20 V21C20-S290 WeakPolarHBondContact CA-O 3.35Å; V21-S290 PolarHBondContact N-O 2.84Å; V21-S290 PolarHBondContact O-N 3.31Å
291V96.8Very high92.4Very high13 Ų1325.9 Ų25.98%0.07916%0.156CC..EExtended strand (participates in β ladder)trans-132.7119.8-177.8-175.40000108.1A18 T42 A43 L46 V289A18-V291 HydrophobicContact CB-CG1 3.9Å; T42-V291 HydrophobicContact CG2-CB 3.94Å; T42-V291 HydrophobicContact CG2-CG1 4.41Å; T42-V291 HydrophobicContact CG2-CG2 4.14Å; A43-V291 HydrophobicContact CB-CG1 3.93Å; L46-V291 HydrophobicContact CD1-CG1 4.22Å; V289-V291 HydrophobicContact CG1-CG2 3.85Å
292E94.4Very high92.2Very high82 Ų8228.2 Ų28.238%0.38316%0.164SC..EExtended strand (participates in β ladder)trans-127141.7-178.8-64.9-68.7168.100108.8A18 L19 F279A18-E292 CarbonylContact C-O 3.59Å; A18-E292 WeakPolarHBondContact CA-O 3.32Å; L19-E292 PolarHBondContact N-O 3.29Å; L19-E292 PolarHBondContact O-N 3.47Å; L19-E292 VanDerWaalsContact O-N 3.11Å; F279-E292 HydrophobicContact CE1-CB 3.85Å; F279-E292 HydrophobicContact CE1-CG 4.3Å; F279-E292 HydrophobicContact CE2-CB 3.96Å; F279-E292 HydrophobicContact CE2-CG 4.2Å; F279-E292 HydrophobicContact CZ-CB 3.4Å; F279-E292 VanDerWaalsContact CZ-CB 3.4Å; F279-E292 HydrophobicContact CZ-CG 3.54Å
293T94.8Very high92.1Very high24 Ų2426.7 Ų26.715%0.14716%0.156CC..EExtended strand (participates in β ladder)trans-110.3138.1-175.8570000112T16 V17 A18 L46 A48T16-T293 HydrophobicContact CG2-CG2 4.15Å; V17-T293 WeakPolarHBondContact O-CA 3.39Å; A18-T293 HydrophobicContact CB-CG2 4.11Å; L46-T293 HydrophobicContact CB-CG2 3.61Å; L46-T293 HydrophobicContact CD1-CG2 4.1Å; A48-T293 HydrophobicContact CB-CG2 3.99Å
294V93.2Very high91.7Very high12 Ų1231.1 Ų31.17%0.07317%0.172CC..EExtended strand (participates in β ladder)trans-121.3121.2175-176.20000108.2T16 V17 L19 F249 A271 F279 V296T16-V294 WeakPolarHBondContact CA-O 3.23Å; V17-V294 PolarHBondContact N-O 3.41Å; V17-V294 PolarHBondContact O-N 2.94Å; L19-V294 HydrophobicContact CD1-CG2 3.97Å; L19-V294 HydrophobicContact CG-CG2 4.47Å; F249-V294 HydrophobicContact CE2-CG1 3.94Å; F249-V294 HydrophobicContact CZ-CB 4.21Å; F249-V294 HydrophobicContact CZ-CG1 4.06Å; A271-V294 HydrophobicContact CB-CG1 4.26Å; A271-V294 HydrophobicContact CB-CG2 3.89Å; F279-V294 HydrophobicContact CB-CG2 3.73Å; F279-V294 HydrophobicContact CD1-CG2 4.32Å; F279-V294 HydrophobicContact CG-CG2 3.98Å; V294-V296 HydrophobicContact CG1-CG2 4.16Å
295T91.6Very high91.4Very high23 Ų2330.6 Ų30.614%0.14117%0.169CC..EExtended strand (participates in β ladder)trans-101.7126.5179.2-60.20000109.8K14 F15 T16 Q351K14-T295 HydrophobicContact CB-CG2 3.99Å; K14-T295 HydrophobicContact CD-CG2 4.21Å; F15-T295 WeakPolarHBondContact O-CA 3.44Å; T16-T295 WeakPolarHBondContact CG2-OG1 3.37Å; T16-T295 PolarHBondContact OG1-OG1 3.24Å; T295-Q351 PolarHBondContact OG1-OE1 2.98Å
296V89.4Confident91.2Very high9 Ų936.5 Ų36.56%0.05520%0.196CC..EExtended strand (participates in β ladder)trans-123.4137.5-174.7-172.40000110.4K14 F15 F249 V273 V294 L301K14-V296 WeakPolarHBondContact CA-O 3.45Å; F15-V296 HydrophobicContact CE1-CB 4.11Å; F15-V296 HydrophobicContact CE1-CG1 4.38Å; F15-V296 HydrophobicContact CE2-CB 4.32Å; F15-V296 HydrophobicContact CZ-CB 3.91Å; F15-V296 HydrophobicContact CZ-CG1 4.28Å; F15-V296 PolarHBondContact N-O 3.16Å; F15-V296 PolarHBondContact O-N 2.94Å; F249-V296 HydrophobicContact CB-CG1 4.36Å; F249-V296 HydrophobicContact CB-CG2 4.46Å; F249-V296 HydrophobicContact CD1-CG2 3.93Å; F249-V296 HydrophobicContact CD2-CG2 3.8Å; F249-V296 HydrophobicContact CE1-CG2 4.1Å; F249-V296 HydrophobicContact CE2-CG2 3.92Å; F249-V296 HydrophobicContact CG-CG2 3.82Å; F249-V296 HydrophobicContact CZ-CG2 4.09Å; V273-V296 HydrophobicContact CG2-CG1 4.36Å; V273-V296 HydrophobicContact CG2-CG2 4.48Å; V294-V296 HydrophobicContact CG1-CG2 4.16Å; V296-L301 HydrophobicContact CG1-CD1 3.76Å; V296-L301 HydrophobicContact CG1-CD2 4.05Å; V296-L301 HydrophobicContact CG1-CG 3.92Å
297C88.9Confident90.9Very high38 Ų3839.9 Ų39.926%0.25723%0.226SC..EExtended strand (participates in β ladder)trans-89.7112.1174.8179.10000110.8N13 K14 N299 S300 L301N13-C297 CarbonylContact O-C 3.42Å; K14-C297 HydrophobicContact CG-CB 4.19Å; C297-N299 VanDerWaalsContact C-N 3.32Å; C297-N299 PolarHBondContact O-N 2.97Å; C297-S300 WeakPolarHBondContact O-CB 3.23Å; C297-S300 PolarHBondContact O-N 2.93Å; C297-S300 PolarHBondContact SG-OG 3.29Å; C297-S300 VanDerWaalsContact SG-OG 3.32Å; C297-L301 PolarHBondContact O-N 3.35Å
298L89.4Confident90.6Very high0 Ų041.2 Ų41.20%024%0.235CC..Hα-helixtrans-56.1-44.6-179.2-174.463.6000112.1N13 F15 V190 D216 S300 L301 R302N13-L298 HydrophobicContact CB-CB 4.48Å; N13-L298 VanDerWaalsContact O-CB 3.3Å; N13-L298 WeakPolarHBondContact O-CB 3.35Å; N13-L298 PolarHBondContact O-N 3.42Å; F15-L298 HydrophobicContact CE1-CD1 4.38Å; V190-L298 HydrophobicContact CG2-CD1 4.33Å; V190-L298 HydrophobicContact CG2-CD2 3.97Å; D216-L298 HydrophobicContact CB-CD1 3.87Å; D216-L298 VanDerWaalsContact CG-CD1 3.45Å; L298-S300 VanDerWaalsContact C-N 3.25Å; L298-S300 PolarHBondContact O-N 3.29Å; L298-L301 WeakPolarHBondContact O-CB 3.3Å; L298-L301 PolarHBondContact O-N 2.93Å; L298-L301 VanDerWaalsContact O-N 3.13Å; L298-R302 WeakPolarHBondContact O-CG 3.5Å; L298-R302 PolarHBondContact O-N 3.47Å
299N87.8Confident90.2Very high63 Ų6350.1 Ų50.134%0.33727%0.268SS..Hα-helixtrans-65.7-29.9179-75.93.5000112.8N13 C297 S303N13-N299 PolarHBondContact ND2-ND2 2.78Å; C297-N299 VanDerWaalsContact C-N 3.32Å; C297-N299 PolarHBondContact O-N 2.97Å; N299-S303 VanDerWaalsContact O-CB 3.24Å; N299-S303 WeakPolarHBondContact O-CB 3.34Å; N299-S303 PolarHBondContact O-N 3.32Å; N299-S303 PolarHBondContact O-OG 2.83Å; N299-S303 VanDerWaalsContact O-OG 3.07Å
300S87.1Confident89.4Confident52 Ų5253 Ų5336%0.36429%0.287SS..Hα-helixtrans-71.1-33175-61.30000112.3C297 L298 S303 R304C297-S300 WeakPolarHBondContact O-CB 3.23Å; C297-S300 PolarHBondContact O-N 2.93Å; C297-S300 PolarHBondContact SG-OG 3.29Å; C297-S300 VanDerWaalsContact SG-OG 3.32Å; L298-S300 VanDerWaalsContact C-N 3.25Å; L298-S300 PolarHBondContact O-N 3.29Å; S300-S303 PolarHBondContact O-OG 3.3Å; S300-R304 WeakPolarHBondContact O-CG 3.32Å
301L89Confident88.8Confident1 Ų153.2 Ų53.21%0.00529%0.285CS..Hα-helixtrans-68.1-49.6172.5-61.1177.6000110.5F15 D216 F249 V273 V296 C297 L298 R304 R305F15-L301 HydrophobicContact CE1-CD1 4.47Å; D216-L301 HydrophobicContact CB-CD1 4.43Å; F249-L301 HydrophobicContact CB-CD1 4.2Å; V273-L301 HydrophobicContact CG1-CD2 3.44Å; V273-L301 VanDerWaalsContact CG1-CD2 3.44Å; V296-L301 HydrophobicContact CG1-CD1 3.76Å; V296-L301 HydrophobicContact CG1-CD2 4.05Å; V296-L301 HydrophobicContact CG1-CG 3.92Å; C297-L301 PolarHBondContact O-N 3.35Å; L298-L301 WeakPolarHBondContact O-CB 3.3Å; L298-L301 PolarHBondContact O-N 2.93Å; L298-L301 VanDerWaalsContact O-N 3.13Å; L301-R304 PolarHBondContact O-N 3.02Å; L301-R305 WeakPolarHBondContact O-CG 3.27Å; L301-R305 PolarHBondContact O-N 3.49Å; L301-R305 VanDerWaalsContact O-N 3.1Å
302R89.4Confident88.2Confident58 Ų5854.5 Ų54.522%0.21930%0.301CS..Hα-helixtrans-68-37.5-175.8-69.7178.5175.1174.7-2.9112.9H189 D216 L298 R305 I306H189-R302 PolarHBondContact O-NH2 3.09Å; D216-R302 IonicContact OD1-CZ 3.96Å; D216-R302 IonicContact OD1-NE 3.83Å; D216-R302 PolarHBondContact OD1-NE 3.37Å; D216-R302 IonicContact OD1-NH2 3.5Å; D216-R302 IonicContact OD2-CZ 2.78Å; D216-R302 IonicContact OD2-NH2 3Å; D216-R302 PolarHBondContact OD2-NH2 2.86Å; L298-R302 WeakPolarHBondContact O-CG 3.5Å; L298-R302 PolarHBondContact O-N 3.47Å; R302-R305 WeakPolarHBondContact O-CB 3.37Å; R302-R305 PolarHBondContact O-N 3.04Å; R302-I306 VanDerWaalsContact O-CG1 3.3Å; R302-I306 WeakPolarHBondContact O-CG1 3.22Å; R302-I306 PolarHBondContact O-N 3.21Å
303S88.6Confident87.8Confident68 Ų6859.8 Ų59.848%0.47632%0.318SS..Hα-helixtrans-62.5-43175.965.40000112N299 S300 R305 I306 A307N299-S303 VanDerWaalsContact O-CB 3.24Å; N299-S303 WeakPolarHBondContact O-CB 3.34Å; N299-S303 PolarHBondContact O-N 3.32Å; N299-S303 PolarHBondContact O-OG 2.83Å; N299-S303 VanDerWaalsContact O-OG 3.07Å; S300-S303 PolarHBondContact O-OG 3.3Å; S303-R305 VanDerWaalsContact C-N 3.34Å; S303-R305 PolarHBondContact O-N 2.81Å; S303-I306 PolarHBondContact O-N 3.2Å; S303-A307 PolarHBondContact O-N 2.96Å; S303-A307 VanDerWaalsContact O-N 3.12Å
304R86.3Confident87.3Confident103 Ų10359.7 Ų59.739%0.38932%0.319SS..Hα-helixtrans-61.3-41.4173.4-71.1-174.4-136.9-171.53.3111.9S300 L301 A307 S308S300-R304 WeakPolarHBondContact O-CG 3.32Å; L301-R304 PolarHBondContact O-N 3.02Å; R304-A307 WeakPolarHBondContact O-CB 3.49Å; R304-A307 PolarHBondContact O-N 3Å; R304-S308 PolarHBondContact O-N 3.23Å
305R88.4Confident86.9Confident8 Ų860.3 Ų60.33%0.0333%0.326CS..Hα-helixtrans-64-41.1176.2-73.6172.9178.5-169.1-5.3113.1Y211 G214 V215 D216 G247 L301 R302 S303 A307 S308 F311Y211-R305 VanDerWaalsContact CD1-NH2 3.27Å; G214-R305 PolarHBondContact O-NH1 2.74Å; V215-R305 PolarHBondContact O-NH1 3.06Å; V215-R305 PolarHBondContact O-NH2 3.32Å; D216-R305 IonicContact OD1-NH1 3.46Å; D216-R305 PolarHBondContact OD1-NH1 2.88Å; G247-R305 VanDerWaalsContact O-CZ 3.3Å; G247-R305 PolarHBondContact O-NE 3.41Å; G247-R305 PolarHBondContact O-NH2 3.16Å; L301-R305 WeakPolarHBondContact O-CG 3.27Å; L301-R305 PolarHBondContact O-N 3.49Å; L301-R305 VanDerWaalsContact O-N 3.1Å; R302-R305 WeakPolarHBondContact O-CB 3.37Å; R302-R305 PolarHBondContact O-N 3.04Å; S303-R305 VanDerWaalsContact C-N 3.34Å; S303-R305 PolarHBondContact O-N 2.81Å; R305-A307 VanDerWaalsContact C-N 3.27Å; R305-A307 PolarHBondContact O-N 3.38Å; R305-S308 CarbonylContact O-C 3.6Å; R305-S308 PolarHBondContact O-N 3.37Å; R305-S308 VanDerWaalsContact O-O 3.05Å; R305-F311 HydrophobicContact CB-CB 4.41Å; R305-F311 HydrophobicContact CB-CD1 3.79Å; R305-F311 HydrophobicContact CB-CD2 4.29Å; R305-F311 HydrophobicContact CB-CE1 4.11Å; R305-F311 HydrophobicContact CB-CG 3.9Å; R305-F311 HydrophobicContact CG-CD1 4.26Å; R305-F311 HydrophobicContact CG-CD2 3.87Å; R305-F311 HydrophobicContact CG-CE1 4.45Å; R305-F311 HydrophobicContact CG-CE2 4.09Å; R305-F311 HydrophobicContact CG-CG 3.98Å; R305-F311 HydrophobicContact CG-CZ 4.38Å
306I87.3Confident86.5Confident140 Ų14062.1 Ų62.172%0.71834%0.343SS*.Hα-helixtrans-60.8-40.4175.5-69.9164.7000110.4R302 S303 S308R302-I306 VanDerWaalsContact O-CG1 3.3Å; R302-I306 WeakPolarHBondContact O-CG1 3.22Å; R302-I306 PolarHBondContact O-N 3.21Å; S303-I306 PolarHBondContact O-N 3.2Å; I306-S308 VanDerWaalsContact C-N 3.29Å; I306-S308 PolarHBondContact O-N 3.08Å
307A86.7Confident86.2Confident81 Ų8164.7 Ų64.767%0.66937%0.365SS*.Hα-helixtrans-67.7-29.2174.600000112.6S303 R304 R305 R309S303-A307 PolarHBondContact O-N 2.96Å; S303-A307 VanDerWaalsContact O-N 3.12Å; R304-A307 WeakPolarHBondContact O-CB 3.49Å; R304-A307 PolarHBondContact O-N 3Å; R305-A307 VanDerWaalsContact C-N 3.27Å; R305-A307 PolarHBondContact O-N 3.38Å; A307-R309 PolarHBondContact O-N 3.42Å
308S86.2Confident85.7Confident29 Ų2964.5 Ų64.520%0.20336%0.364CS..  trans-80.1102.9177.7-175.70000112.5G246 R304 R305 I306 C310 F311 G312G246-S308 VanDerWaalsContact CA-OG 3.31Å; G246-S308 WeakPolarHBondContact CA-OG 3.42Å; R304-S308 PolarHBondContact O-N 3.23Å; R305-S308 CarbonylContact O-C 3.6Å; R305-S308 PolarHBondContact O-N 3.37Å; R305-S308 VanDerWaalsContact O-O 3.05Å; I306-S308 VanDerWaalsContact C-N 3.29Å; I306-S308 PolarHBondContact O-N 3.08Å; S308-C310 PolarHBondContact O-N 2.81Å; S308-F311 WeakPolarHBondContact O-CB 3.38Å; S308-F311 PolarHBondContact O-N 3.02Å; S308-F311 PolarHBondContact OG-N 3.06Å; S308-G312 PolarHBondContact O-N 3.12Å
309R85.2Confident85.2Confident200 Ų20066.9 Ų66.976%0.75538%0.384SS*.Hα-helixtrans-60.3-29.1173.9-63.2-61.9-171.9178.30.1113.1A307 G312 R313A307-R309 PolarHBondContact O-N 3.42Å; R309-G312 PolarHBondContact O-N 2.73Å; R309-R313 WeakPolarHBondContact O-CG 3.49Å; R309-R313 PolarHBondContact O-N 3.31Å; R309-R313 VanDerWaalsContact O-N 3.14Å
310C81.3Confident84.5Confident83 Ų8366.4 Ų66.456%0.56139%0.389SS*.Hα-helixtrans-64.6-44.3176.6-65.70000111.5S308 G312 R313 A314S308-C310 PolarHBondContact O-N 2.81Å; C310-G312 PolarHBondContact O-N 3.31Å; C310-R313 PolarHBondContact O-N 3.11Å; C310-A314 WeakPolarHBondContact O-CB 3.47Å; C310-A314 PolarHBondContact O-N 2.66Å
311F83.7Confident83.5Confident31 Ų3165.8 Ų65.814%0.13639%0.386CS..Hα-helixtrans-56.5-52.3174.8-177.9-95.5000110.8Y211 N245 R305 S308 R313 A314 A315Y211-F311 VanDerWaalsContact O-CE2 3.22Å; Y211-F311 WeakPolarHBondContact O-CE2 3.3Å; N245-F311 WeakPolarHBondContact O-CA 3.38Å; N245-F311 WeakPolarHBondContact O-CB 3.3Å; N245-F311 WeakPolarHBondContact O-CD2 3.44Å; N245-F311 WeakPolarHBondContact O-CG 3.04Å; N245-F311 PolarHBondContact O-N 3.36Å; R305-F311 HydrophobicContact CB-CB 4.41Å; R305-F311 HydrophobicContact CB-CD1 3.79Å; R305-F311 HydrophobicContact CB-CD2 4.29Å; R305-F311 HydrophobicContact CB-CE1 4.11Å; R305-F311 HydrophobicContact CB-CG 3.9Å; R305-F311 HydrophobicContact CG-CD1 4.26Å; R305-F311 HydrophobicContact CG-CD2 3.87Å; R305-F311 HydrophobicContact CG-CE1 4.45Å; R305-F311 HydrophobicContact CG-CE2 4.09Å; R305-F311 HydrophobicContact CG-CG 3.98Å; R305-F311 HydrophobicContact CG-CZ 4.38Å; S308-F311 WeakPolarHBondContact O-CB 3.38Å; S308-F311 PolarHBondContact O-N 3.02Å; S308-F311 PolarHBondContact OG-N 3.06Å; F311-R313 VanDerWaalsContact C-N 3.28Å; F311-R313 PolarHBondContact O-N 2.71Å; F311-A314 PolarHBondContact O-N 3.08Å; F311-A315 HydrophobicContact CD1-CB 4.49Å; F311-A315 HydrophobicContact CE1-CB 4.15Å; F311-A315 HydrophobicContact CZ-CB 4.38Å; F311-A315 WeakPolarHBondContact O-CB 3.4Å; F311-A315 PolarHBondContact O-N 2.86Å
312G83.7Confident82.2Confident40 Ų4072.1 Ų72.141%0.41241%0.414SS..Hα-helixtrans-57.2-40.1-177.900000113.1S308 R309 C310 A316S308-G312 PolarHBondContact O-N 3.12Å; R309-G312 PolarHBondContact O-N 2.73Å; C310-G312 PolarHBondContact O-N 3.31Å; G312-A316 VanDerWaalsContact O-CB 3.22Å; G312-A316 WeakPolarHBondContact O-CB 3.39Å; G312-A316 PolarHBondContact O-N 3.12Å
313R85.4Confident80.3Confident193 Ų19373.8 Ų73.873%0.72844%0.435SS*.Hα-helixtrans-67.4-47.7175.9-71.5176.9-177.2173.20.9112.3R309 C310 F311 A315 A316 A317R309-R313 WeakPolarHBondContact O-CG 3.49Å; R309-R313 PolarHBondContact O-N 3.31Å; R309-R313 VanDerWaalsContact O-N 3.14Å; C310-R313 PolarHBondContact O-N 3.11Å; F311-R313 VanDerWaalsContact C-N 3.28Å; F311-R313 PolarHBondContact O-N 2.71Å; R313-A315 VanDerWaalsContact C-N 3.35Å; R313-A315 PolarHBondContact O-N 2.81Å; R313-A316 PolarHBondContact O-N 3.04Å; R313-A317 WeakPolarHBondContact O-CB 3.39Å; R313-A317 PolarHBondContact O-N 2.82Å
314A85.2Confident78.2Confident22 Ų2274.3 Ų74.318%0.18243%0.432CS..Hα-helixtrans-62.5-42.9179.700000111.6A212 C310 F311 A317 S318A212-A314 HydrophobicContact CB-CB 4.11Å; C310-A314 WeakPolarHBondContact O-CB 3.47Å; C310-A314 PolarHBondContact O-N 2.66Å; F311-A314 PolarHBondContact O-N 3.08Å; A314-A317 PolarHBondContact O-N 3.25Å; A314-S318 WeakPolarHBondContact O-CB 3.24Å; A314-S318 PolarHBondContact O-N 2.77Å
315A84.6Confident76.1Confident25 Ų2574.4 Ų74.421%0.20746%0.455CS..Hα-helixtrans-67.5-41.4177.600000113A212 F311 R313 S318 A319A212-A315 WeakPolarHBondContact O-CA 3.13Å; A212-A315 WeakPolarHBondContact O-CB 3.24Å; F311-A315 HydrophobicContact CD1-CB 4.49Å; F311-A315 HydrophobicContact CE1-CB 4.15Å; F311-A315 HydrophobicContact CZ-CB 4.38Å; F311-A315 WeakPolarHBondContact O-CB 3.4Å; F311-A315 PolarHBondContact O-N 2.86Å; R313-A315 VanDerWaalsContact C-N 3.35Å; R313-A315 PolarHBondContact O-N 2.81Å; A315-S318 PolarHBondContact O-N 3.13Å; A315-A319 WeakPolarHBondContact O-CB 3.32Å; A315-A319 PolarHBondContact O-N 3.01Å
316A83.4Confident74.3Confident60 Ų6083 Ų8350%0.49649%0.493SS..Hα-helixtrans-62.8-42.5173.900000111.8G312 R313 A319 A320G312-A316 VanDerWaalsContact O-CB 3.22Å; G312-A316 WeakPolarHBondContact O-CB 3.39Å; G312-A316 PolarHBondContact O-N 3.12Å; R313-A316 PolarHBondContact O-N 3.04Å; A316-A319 PolarHBondContact O-N 3.24Å; A316-A320 WeakPolarHBondContact O-CB 3.43Å; A316-A320 PolarHBondContact O-N 2.91Å
317A82.2Confident72.4Confident63 Ų6379.8 Ų79.852%0.52149%0.494SS..Hα-helixtrans-63.3-45.9176.500000111.9R313 A314 A319 A320 A321R313-A317 WeakPolarHBondContact O-CB 3.39Å; R313-A317 PolarHBondContact O-N 2.82Å; A314-A317 PolarHBondContact O-N 3.25Å; A317-A319 VanDerWaalsContact C-N 3.29Å; A317-A319 PolarHBondContact O-N 3.25Å; A317-A320 PolarHBondContact O-N 2.66Å; A317-A321 PolarHBondContact O-N 3.1Å; A317-A321 VanDerWaalsContact O-N 3.14Å
318S79.2Confident70.4Confident35 Ų3581.4 Ų81.425%0.24549%0.49CS..Hα-helixtrans-59.9-38.4174.8-178.40000112.3A314 A315A314-S318 WeakPolarHBondContact O-CB 3.24Å; A314-S318 PolarHBondContact O-N 2.77Å; A315-S318 PolarHBondContact O-N 3.13Å
319A78Confident68.3Low49 Ų4986.1 Ų86.141%0.40552%0.518SS..Hα-helixtrans-71.9-38.5175.400000113A315 A316 A317 A321 K322A315-A319 WeakPolarHBondContact O-CB 3.32Å; A315-A319 PolarHBondContact O-N 3.01Å; A316-A319 PolarHBondContact O-N 3.24Å; A317-A319 VanDerWaalsContact C-N 3.29Å; A317-A319 PolarHBondContact O-N 3.25Å; A319-A321 VanDerWaalsContact C-N 3.34Å; A319-A321 PolarHBondContact O-N 2.93Å; A319-K322 WeakPolarHBondContact O-CB 3.45Å; A319-K322 WeakPolarHBondContact O-CG 3.29Å; A319-K322 PolarHBondContact O-N 3.24Å; A319-K322 VanDerWaalsContact O-N 3.11Å
320A73.2Confident66.5Low54 Ų5481.3 Ų81.345%0.44650%0.504SS..Hα-helixtrans-65-37.3-179.600000112.3A316 A317 K322 S323 D324A316-A320 WeakPolarHBondContact O-CB 3.43Å; A316-A320 PolarHBondContact O-N 2.91Å; A317-A320 PolarHBondContact O-N 2.66Å; A320-K322 PolarHBondContact O-N 3.29Å; A320-S323 PolarHBondContact O-N 3.2Å; A320-S323 PolarHBondContact O-OG 2.93Å; A320-D324 VanDerWaalsContact O-OD1 3.11Å
321A67.1Low65.2Low38 Ų3880.4 Ų80.431%0.31450%0.498SS..THydrogen-bonded Turntrans-57.9-13173.300000113.7A317 A319 S323 D324 H330A317-A321 PolarHBondContact O-N 3.1Å; A317-A321 VanDerWaalsContact O-N 3.14Å; A319-A321 VanDerWaalsContact C-N 3.34Å; A319-A321 PolarHBondContact O-N 2.93Å; A321-S323 VanDerWaalsContact C-N 3.29Å; A321-D324 WeakPolarHBondContact CA-OD1 3.34Å; A321-H330 WeakPolarHBondContact O-CB 3.46Å
322K60.4Low64.6Low134 Ų13481.4 Ų81.458%0.58351%0.509SS*.THydrogen-bonded Turntrans-72.4-19.7172.6-66.7176175175.10113.5A319 A320 C332A319-K322 WeakPolarHBondContact O-CB 3.45Å; A319-K322 WeakPolarHBondContact O-CG 3.29Å; A319-K322 PolarHBondContact O-N 3.24Å; A319-K322 VanDerWaalsContact O-N 3.11Å; A320-K322 PolarHBondContact O-N 3.29Å; K322-C332 HydrophobicContact CD-CB 4.17Å; K322-C332 VanDerWaalsContact CE-CB 3.41Å; K322-C332 HydrophobicContact CG-CB 3.7Å
323S50.4Low64.8Low93 Ų9380.2 Ų80.265%0.6549%0.492SS*.  trans-119.812.1-159.358.50000115.6A320 A321 A325A320-S323 PolarHBondContact O-N 3.2Å; A320-S323 PolarHBondContact O-OG 2.93Å; A321-S323 VanDerWaalsContact C-N 3.29Å; S323-A325 PolarHBondContact O-N 2.97Å
324D45.1Very low65.2Low80 Ų8072.1 Ų72.143%0.42846%0.464SS..  trans-63.1127.6-174.5-58.426.8000111.3A320 A321 F326 H330A320-D324 VanDerWaalsContact O-OD1 3.11Å; A321-D324 WeakPolarHBondContact CA-OD1 3.34Å; D324-F326 PolarHBondContact O-N 2.68Å; D324-H330 IonicContact OD2-CD2 3.61Å
325A42.1Very low65.6Low104 Ų10473.4 Ų73.486%0.8647%0.47SS*.THydrogen-bonded Turntrans-66.13.2-164.600000116.5S323S323-A325 PolarHBondContact O-N 2.97Å
326F50.3Low66.2Low189 Ų18973.2 Ų73.283%0.82947%0.466SS*.THydrogen-bonded Turntrans-99.25.4-177-79.5-81.4000114.5D324 I328D324-F326 PolarHBondContact O-N 2.68Å; F326-I328 PolarHBondContact O-N 2.62Å; F326-I328 VanDerWaalsContact O-N 3.1Å
327G47.4Very low66.7Low73 Ų7377.9 Ų77.975%0.75348%0.475SS*.SBendtrans696.1178.200000114.4T329G327-T329 PolarHBondContact O-N 2.86Å
328I44.1Very low67.3Low114 Ų11475.2 Ų75.259%0.58545%0.452SS*.  trans-84104.6168.2-56.4177.4000106.2F326 H330F326-I328 PolarHBondContact O-N 2.62Å; F326-I328 VanDerWaalsContact O-N 3.1Å; I328-H330 VanDerWaalsContact C-N 3.34Å; I328-H330 PolarHBondContact O-N 2.64Å
329T42.3Very low68Low128 Ų12880.3 Ų80.379%0.78548%0.477SS*.  trans-62.794.8171.6480000109G327G327-T329 PolarHBondContact O-N 2.86Å
330H47.4Very low68.7Low100 Ų10078.9 Ų78.946%0.46346%0.462SS..  trans-65.4134.2163.3-74.4-69.7000108.1A321 D324 I328 C332A321-H330 WeakPolarHBondContact O-CB 3.46Å; D324-H330 IonicContact OD2-CD2 3.61Å; I328-H330 VanDerWaalsContact C-N 3.34Å; I328-H330 PolarHBondContact O-N 2.64Å; H330-C332 PolarHBondContact O-N 3.34Å
331S53.3Low69.6Low63 Ų6377 Ų7744%0.44144%0.444SS..  trans-63.2108.5-168.4580000109.9Q150Q150-S331 PolarHBondContact OE1-O 2.97Å; Q150-S331 PolarHBondContact OE1-OG 3.21Å
332C71.7Confident70.8Confident53 Ų5375.3 Ų75.336%0.35843%0.429SS..PPolyproline II helixtrans-83.6144.8152.264.90000107.6K322 H330 P334K322-C332 HydrophobicContact CD-CB 4.17Å; K322-C332 VanDerWaalsContact CE-CB 3.41Å; K322-C332 HydrophobicContact CG-CB 3.7Å; H330-C332 PolarHBondContact O-N 3.34Å; C332-P334 WeakPolarHBondContact O-CD 3.32Å
333Y89Confident72.2Confident15 Ų1569.2 Ų69.26%0.05940%0.404CS..PPolyproline II helixtrans-49.2122.3173.4-95-80.2000110.2Q150 D176 I178 P206 A209 M210 A213Q150-Y333 HydrophobicContact CB-CD1 4.45Å; Q150-Y333 HydrophobicContact CG-CD1 3.85Å; Q150-Y333 HydrophobicContact CG-CD2 3.95Å; Q150-Y333 HydrophobicContact CG-CE1 3.74Å; Q150-Y333 HydrophobicContact CG-CE2 3.84Å; Q150-Y333 HydrophobicContact CG-CG 3.96Å; D176-Y333 WeakPolarHBondContact OD2-CE1 3.04Å; I178-Y333 HydrophobicContact CD1-CD1 4.18Å; I178-Y333 HydrophobicContact CD1-CD2 4.11Å; I178-Y333 HydrophobicContact CD1-CG 3.64Å; I178-Y333 HydrophobicContact CG1-CD1 3.91Å; I178-Y333 HydrophobicContact CG1-CG 3.9Å; P206-Y333 PolarHBondContact O-OH 3.01Å; A209-Y333 HydrophobicContact CB-CE2 3.64Å; M210-Y333 HydrophobicContact CE-CE1 4.3Å; M210-Y333 HydrophobicContact CG-CE1 4.1Å; M210-Y333 HydrophobicContact CG-CE2 4Å; M210-Y333 WeakPolarHBondContact CG-OH 3.24Å; A213-Y333 HydrophobicContact CB-CD2 3.84Å; A213-Y333 HydrophobicContact CB-CG 4.46Å
334P92.8Very high73.9Confident22 Ų2265.3 Ų65.314%0.14338%0.375CS..PPolyproline II helixtrans-63.3146172.925.1-30.8000108.5Q150 I152 D176 A177 I178 C332Q150-P334 VanDerWaalsContact C-CD 3.46Å; Q150-P334 VanDerWaalsContact O-CD 3.29Å; Q150-P334 WeakPolarHBondContact O-CD 3.48Å; I152-P334 HydrophobicContact CD1-CB 4.14Å; I152-P334 HydrophobicContact CG1-CB 3.9Å; I152-P334 HydrophobicContact CG1-CG 4.22Å; I152-P334 HydrophobicContact CG2-CB 4.34Å; I152-P334 HydrophobicContact CG2-CG 3.91Å; D176-P334 VanDerWaalsContact O-CD 3.31Å; D176-P334 WeakPolarHBondContact O-CD 3.38Å; D176-P334 WeakPolarHBondContact O-CG 3.34Å; A177-P334 WeakPolarHBondContact CA-O 3.23Å; A177-P334 HydrophobicContact CB-CB 4.45Å; A177-P334 HydrophobicContact CB-CG 3.97Å; A177-P334 WeakPolarHBondContact CB-O 3.33Å; I178-P334 PolarHBondContact N-O 3.45Å; C332-P334 WeakPolarHBondContact O-CD 3.32Å
335V93.8Very high75.4Confident49 Ų4964.5 Ų64.530%0.29738%0.376SS..EExtended strand (participates in β ladder)trans-118.2114.5-175.2-179.60000109.3I178 R180 K337I178-V335 CarbonylContact O-C 3.56Å; I178-V335 WeakPolarHBondContact O-CA 3.35Å; R180-V335 HydrophobicContact CB-CG1 3.43Å; R180-V335 VanDerWaalsContact CB-CG1 3.43Å; R180-V335 HydrophobicContact CG-CG1 4.48Å; V335-K337 HydrophobicContact CG1-CG 4.42Å; V335-K337 PolarHBondContact O-N 2.74Å
336V96.2Very high76.6Confident21 Ų2165 Ų6513%0.12736%0.364CS..EExtended strand (participates in β ladder)trans-81.7108.6167.3178.50000107.3L124 A173 A177 I178 L179 R180 V338L124-V336 HydrophobicContact CD1-CG2 4.38Å; A173-V336 HydrophobicContact CB-CG2 4.12Å; A177-V336 HydrophobicContact CB-CG2 4.03Å; I178-V336 PolarHBondContact O-N 3.36Å; L179-V336 WeakPolarHBondContact CA-O 3.49Å; L179-V336 HydrophobicContact CD2-CB 4.09Å; L179-V336 HydrophobicContact CD2-CG1 4.11Å; R180-V336 PolarHBondContact N-O 3.3Å; V336-V338 HydrophobicContact CG1-CG2 4.36Å
337K94.7Very high76.9Confident159 Ų15962.3 Ų62.369%0.69135%0.354SS*.EExtended strand (participates in β ladder)trans-78.4129.2177.3-62.1179.7-174.4175.10109.2V335V335-K337 HydrophobicContact CG1-CG 4.42Å; V335-K337 PolarHBondContact O-N 2.74Å
338V95.4Very high77.4Confident6 Ų663.1 Ų63.14%0.03634%0.335CS..EExtended strand (participates in β ladder)trans-121117.8-179.4-170.70000108.3L118 L123 L179 R180 F181 S182 V336 F340L118-V338 HydrophobicContact CD2-CG1 3.67Å; L123-V338 HydrophobicContact CD1-CG1 3.99Å; L123-V338 HydrophobicContact CD1-CG2 4.09Å; L123-V338 HydrophobicContact CD2-CG1 4.2Å; L179-V338 HydrophobicContact CD2-CG2 4.03Å; R180-V338 PolarHBondContact O-N 3.34Å; F181-V338 WeakPolarHBondContact CA-O 3.4Å; F181-V338 HydrophobicContact CD1-CB 3.69Å; F181-V338 HydrophobicContact CD1-CG1 3.75Å; F181-V338 HydrophobicContact CD1-CG2 4.26Å; F181-V338 HydrophobicContact CE1-CB 3.84Å; F181-V338 HydrophobicContact CE1-CG1 3.68Å; F181-V338 HydrophobicContact CE1-CG2 4Å; F181-V338 HydrophobicContact CG-CB 4.34Å; F181-V338 HydrophobicContact CZ-CG2 4.32Å; S182-V338 PolarHBondContact N-O 2.77Å; V336-V338 HydrophobicContact CG1-CG2 4.36Å; V338-F340 HydrophobicContact CG1-CB 3.99Å; V338-F340 PolarHBondContact O-N 2.77Å
339D93.1Very high77.7Confident142 Ų14262.4 Ų62.476%0.75934%0.337SS*.  trans-77.272.5176.7-171.718.2000110.7S182S182-D339 VanDerWaalsContact O-CA 3.27Å; S182-D339 WeakPolarHBondContact O-CA 3.37Å
340F93.5Very high78.1Confident20 Ų2062.6 Ų62.69%0.08833%0.333CS..  trans-156.1133.5-177.6-177.2-111.9000110.1K49 D95 V97 L118 F181 S182 V338 L342K49-F340 HydrophobicContact CB-CE1 4.21Å; K49-F340 HydrophobicContact CB-CZ 4.42Å; K49-F340 HydrophobicContact CD-CE1 4.44Å; K49-F340 HydrophobicContact CD-CZ 4.25Å; K49-F340 HydrophobicContact CG-CZ 4.45Å; D95-F340 HydrophobicContact CB-CE2 3.87Å; D95-F340 HydrophobicContact CB-CZ 4.17Å; D95-F340 WeakPolarHBondContact O-CZ 3.25Å; V97-F340 HydrophobicContact CG2-CD1 4.38Å; V97-F340 HydrophobicContact CG2-CE1 4.4Å; L118-F340 HydrophobicContact CD1-CD1 4.46Å; L118-F340 HydrophobicContact CD1-CD2 4.46Å; L118-F340 HydrophobicContact CD1-CE1 4.43Å; L118-F340 HydrophobicContact CD1-CE2 4.45Å; L118-F340 HydrophobicContact CD1-CG 4.48Å; L118-F340 HydrophobicContact CD1-CZ 4.44Å; L118-F340 HydrophobicContact CD2-CB 3.67Å; L118-F340 HydrophobicContact CD2-CD1 4.08Å; L118-F340 HydrophobicContact CD2-CD2 4.22Å; L118-F340 HydrophobicContact CD2-CG 3.74Å; F181-F340 CarbonylContact C-O 3.57Å; F181-F340 WeakPolarHBondContact CB-O 3.4Å; F181-F340 HydrophobicContact CD1-CB 4.29Å; F181-F340 HydrophobicContact CD1-CD1 4.11Å; F181-F340 HydrophobicContact CE1-CD1 4.48Å; S182-F340 PolarHBondContact N-O 2.98Å; S182-F340 PolarHBondContact O-N 3.33Å; V338-F340 HydrophobicContact CG1-CB 3.99Å; V338-F340 PolarHBondContact O-N 2.77Å; F340-L342 HydrophobicContact CD1-CD2 4.46Å; F340-L342 HydrophobicContact CD1-CG 4.45Å; F340-L342 HydrophobicContact CE1-CD2 4.18Å
341N91.5Very high78.4Confident13 Ų1362 Ų627%0.0733%0.331CS..  trans-90.9107.9176.5-172.38.5000110.9K49 C343K49-N341 WeakPolarHBondContact CD-O 3.12Å; K49-N341 PolarHBondContact NZ-O 3.04Å; N341-C343 VanDerWaalsContact C-N 3.29Å; N341-C343 WeakPolarHBondContact OD1-CB 3.42Å; N341-C343 PolarHBondContact OD1-N 3.4Å
342L92.3Very high78Confident3 Ų363.1 Ų63.12%0.01634%0.338CS..  trans-69.7-24173.7-87.7175.8000113.4F15 K49 Y50 F181 V190 I192 F340F15-L342 HydrophobicContact CB-CB 4.3Å; F15-L342 VanDerWaalsContact CB-O 3.26Å; F15-L342 WeakPolarHBondContact CB-O 3.43Å; K49-L342 HydrophobicContact CB-CD2 3.95Å; K49-L342 WeakPolarHBondContact CD-O 3.49Å; Y50-L342 HydrophobicContact CD2-CD2 4.33Å; F181-L342 HydrophobicContact CB-CB 4.34Å; F181-L342 HydrophobicContact CB-CD1 3.75Å; F181-L342 HydrophobicContact CB-CG 3.91Å; F181-L342 HydrophobicContact CD1-CD1 3.92Å; F181-L342 HydrophobicContact CD1-CG 3.87Å; F181-L342 HydrophobicContact CD2-CD1 3.23Å; F181-L342 HydrophobicContact CD2-CG 4.1Å; F181-L342 HydrophobicContact CE1-CD1 4.33Å; F181-L342 HydrophobicContact CE1-CG 4.41Å; F181-L342 HydrophobicContact CE2-CD1 3.69Å; F181-L342 HydrophobicContact CG-CD1 3.34Å; F181-L342 HydrophobicContact CG-CG 3.68Å; F181-L342 HydrophobicContact CZ-CD1 4.22Å; V190-L342 HydrophobicContact CB-CB 4.33Å; V190-L342 HydrophobicContact CB-CD1 4.09Å; V190-L342 HydrophobicContact CG1-CD1 3.99Å; V190-L342 HydrophobicContact CG2-CB 4.25Å; I192-L342 HydrophobicContact CD1-CD1 4.3Å; I192-L342 HydrophobicContact CG1-CD1 4Å; F340-L342 HydrophobicContact CD1-CD2 4.46Å; F340-L342 HydrophobicContact CD1-CG 4.45Å; F340-L342 HydrophobicContact CE1-CD2 4.18Å
343C89.8Confident77Confident7 Ų766.8 Ų66.85%0.04735%0.354CS..BIsolated β-bridgetrans-75.9150.6176.2-71.20000110.9S12 K14 K49 N341S12-C343 WeakPolarHBondContact O-CB 3.19Å; K14-C343 CarbonylContact O-C 3.51Å; K14-C343 VanDerWaalsContact O-CA 3.28Å; K14-C343 WeakPolarHBondContact O-CA 3.36Å; K49-C343 PolarHBondContact NZ-O 2.81Å; N341-C343 VanDerWaalsContact C-N 3.29Å; N341-C343 WeakPolarHBondContact OD1-CB 3.42Å; N341-C343 PolarHBondContact OD1-N 3.4Å
344H86.4Confident75.2Confident10 Ų1073 Ų735%0.04638%0.383CS..  trans-72.3139.9176.9-66-57.4000111.2S12 K14 T16 G47 W348S12-H344 WeakPolarHBondContact CB-O 3.36Å; S12-H344 PolarHBondContact N-O 3.04Å; K14-H344 PolarHBondContact O-CD2 2.93Å; K14-H344 PolarHBondContact O-N 3.11Å; T16-H344 PolarHBondContact OG1-NE2 3.39Å; G47-H344 PolarHBondContact O-CE1 3.45Å; H344-W348 HydrophobicContact CB-CB 4.39Å
345S76Confident73.2Confident64 Ų6478 Ų7845%0.44842%0.416SS..SBendtrans-70.7-37.4178.9430000112.1
346D67Low71.7Confident114 Ų11482.6 Ų82.661%0.6143%0.434SS*.SBendtrans-104.2160.5-177.4-55-52.5000110.1S12 W348S12-D346 WeakPolarHBondContact CB-O 3.29Å; D346-W348 PolarHBondContact O-N 3.34Å
347H57.4Low70.6Confident133 Ų13382.9 Ų82.962%0.61644%0.436SS*.  trans-60.784.2162.3-75.6-56.4000108.3
348W58.5Low69.8Low90 Ų9080.8 Ų80.834%0.34143%0.432SS..  trans-49.9128168.4-167.1-95.2000106.2H344 D346 D350H344-W348 HydrophobicContact CB-CB 4.39Å; D346-W348 PolarHBondContact O-N 3.34Å; W348-D350 PolarHBondContact O-N 3.36Å
349P50Low69Low99 Ų9983.6 Ų83.664%0.64345%0.449SS*.  trans-48.5133.1-178.119.2-30.6000107.5Q351P349-Q351 PolarHBondContact O-N 2.96Å
350D50.7Low68.7Low131 Ų13182.1 Ų82.170%0.70144%0.438SS*.  trans-50.593.9177.4-101.5-30.4000107.4K14 W348 S352K14-D350 IonicContact NZ-OD1 2.88Å; K14-D350 PolarHBondContact NZ-OD1 3.44Å; W348-D350 PolarHBondContact O-N 3.36Å; D350-S352 PolarHBondContact O-N 3.44Å
351Q52.5Low68.5Low89 Ų8984 Ų8442%0.41645%0.448SS..  trans-60102.5154.1-88.8-174.5-18.500101.9T295 P349 L353T295-Q351 PolarHBondContact OG1-OE1 2.98Å; P349-Q351 PolarHBondContact O-N 2.96Å; Q351-L353 PolarHBondContact O-N 2.87Å
352S45.5Very low68.7Low85 Ų8585 Ų8559%0.59445%0.453SS*.  trans-50.3118.1175.950.10000105.7D350 Q354D350-S352 PolarHBondContact O-N 3.44Å; S352-Q354 PolarHBondContact O-N 3.26Å
353L50.3Low68.9Low131 Ų13186.9 Ų86.969%0.68647%0.467SS*.  trans-52.1107.3159.6-80.3160.4000103.7Q351 P355Q351-L353 PolarHBondContact O-N 2.87Å; L353-P355 VanDerWaalsContact O-CD 3.3Å; L353-P355 WeakPolarHBondContact O-CD 3.49Å
354Q51.1Low69.2Low144 Ų14488.2 Ų88.267%0.67348%0.475SS*.  trans-54.8118.3-178.7-74.4-120.5-11.700105.8S352 H356S352-Q354 PolarHBondContact O-N 3.26Å; Q354-H356 PolarHBondContact O-N 3.5Å
355P52Low69.7Low128 Ų12888.6 Ų88.683%0.83148%0.479SS*.SBendtrans-63.9-17.9-172.422.7-31.6000111.5L353L353-P355 VanDerWaalsContact O-CD 3.3Å; L353-P355 WeakPolarHBondContact O-CD 3.49Å
356H61.2Low70.7Confident145 Ų14587.4 Ų87.467%0.67147%0.466SS*.SBendtrans-131119.3174.7-161.866.2000109.6Q354Q354-H356 PolarHBondContact O-N 3.5Å
357V74.7Confident72.2Confident27 Ų2782 Ų8216%0.16444%0.437CS..  trans-92.8122.3169.5-178.70000106.2V277 T278 L280 T359V277-V357 HydrophobicContact CG1-CG1 4.25Å; T278-V357 VanDerWaalsContact C-CG2 3.41Å; T278-V357 VanDerWaalsContact O-CG2 3.23Å; T278-V357 WeakPolarHBondContact O-CG2 3.3Å; L280-V357 HydrophobicContact CB-CG1 4.49Å; V357-T359 HydrophobicContact CB-CG2 4.5Å; V357-T359 HydrophobicContact CG1-CG2 4.24Å; V357-T359 PolarHBondContact O-N 2.87Å
358D76.3Confident74.1Confident115 Ų11575.8 Ų75.862%0.61541%0.408SS*.  trans-62.7113.6170.2-170.71.5000108.3H360D358-H360 WeakPolarHBondContact OD1-CB 3.14Å; D358-H360 PolarHBondContact OD1-N 3.35Å
359T79.5Confident76Confident66 Ų6671.7 Ų71.741%0.40539%0.393SS..  trans-109.824.9178.446.20000110.2V277 V357 I361V277-T359 HydrophobicContact CB-CG2 4.28Å; V277-T359 HydrophobicContact CG1-CG2 4.02Å; V357-T359 HydrophobicContact CB-CG2 4.5Å; V357-T359 HydrophobicContact CG1-CG2 4.24Å; V357-T359 PolarHBondContact O-N 2.87Å; T359-I361 PolarHBondContact O-N 3.42Å; T359-I361 VanDerWaalsContact O-N 3.11Å
360H86Confident78.2Confident110 Ų11070.8 Ų70.851%0.50938%0.378SS..PPolyproline II helixtrans-55.6117.2177.4-18062.1000110.9D358D358-H360 WeakPolarHBondContact OD1-CB 3.14Å; D358-H360 PolarHBondContact OD1-N 3.35Å
361I90.2Very high80.5Confident60 Ų6064.5 Ų64.531%0.30834%0.344SS..PPolyproline II helixtrans-95.1126.4173.1-58.1177.6000106.7N232 I235 T359N232-I361 HydrophobicContact CB-CD1 3.92Å; N232-I361 WeakPolarHBondContact OD1-CD1 3.3Å; I235-I361 HydrophobicContact CD1-CD1 4.07Å; I235-I361 HydrophobicContact CD1-CG1 4.14Å; T359-I361 PolarHBondContact O-N 3.42Å; T359-I361 VanDerWaalsContact O-N 3.11Å
362L94.7Very high82.6Confident34 Ų3460.3 Ų60.318%0.17832%0.324CS..PPolyproline II helixtrans-59.9140.3176.6-63-179.2000110.5Q283 F284 E366 E367 Y370Q283-L362 HydrophobicContact CB-CD1 4.4Å; F284-L362 HydrophobicContact CD2-CD1 3.9Å; F284-L362 HydrophobicContact CE2-CD1 3.93Å; L362-E366 HydrophobicContact CB-CB 3.96Å; L362-E366 HydrophobicContact CD2-CB 4.21Å; L362-E366 HydrophobicContact CG-CB 4.5Å; L362-E367 HydrophobicContact CB-CG 3.81Å; L362-Y370 HydrophobicContact CD1-CD2 3.92Å; L362-Y370 HydrophobicContact CD1-CE2 4.48Å
363S96.3Very high85.2Confident43 Ų4356.2 Ų56.230%0.30130%0.296SS..PPolyproline II helixtrans-67.2158.2169.366.80000110.9E366 E367S363-E366 VanDerWaalsContact CB-OE2 3.26Å; S363-E366 WeakPolarHBondContact CB-OE2 3.4Å; S363-E366 PolarHBondContact N-OE2 3.46Å; S363-E366 WeakPolarHBondContact O-CA 3.26Å; S363-E366 WeakPolarHBondContact O-CB 3.49Å; S363-E366 PolarHBondContact O-N 3.36Å; S363-E366 VanDerWaalsContact OG-CD 3.29Å; S363-E366 WeakPolarHBondContact OG-CG 3.45Å; S363-E366 PolarHBondContact OG-OE2 3.47Å; S363-E367 PolarHBondContact O-N 3Å
364P96.3Very high87.4Confident35 Ų3550 Ų5023%0.22726%0.263CS..Hα-helixtrans-54.7-41.8178.8-20.528.6000114.2R229 E366 E367 I368R229-P364 HydrophobicContact CG-CB 4.48Å; R229-P364 HydrophobicContact CG-CG 4Å; P364-E366 VanDerWaalsContact C-N 3.33Å; P364-E366 PolarHBondContact O-N 2.93Å; P364-E367 PolarHBondContact O-N 2.76Å; P364-I368 VanDerWaalsContact O-CG1 3.27Å; P364-I368 WeakPolarHBondContact O-CG1 3.16Å; P364-I368 PolarHBondContact O-N 2.88Å
365P97.8Very high89.7Confident18 Ų1843.2 Ų43.212%0.11723%0.232CC..Hα-helixtrans-61-37.1173-27.838.9000114.2I368 S369 L588 Y592P365-I368 PolarHBondContact O-N 3Å; P365-S369 WeakPolarHBondContact O-CB 3.32Å; P365-S369 PolarHBondContact O-N 2.67Å; P365-L588 HydrophobicContact CG-CB 3.94Å; P365-Y592 VanDerWaalsContact CB-CB 3.47Å; P365-Y592 HydrophobicContact CB-CD1 4.13Å; P365-Y592 HydrophobicContact CB-CD2 4.12Å; P365-Y592 HydrophobicContact CB-CG 3.64Å
366E96.9Very high91.9Very high39 Ų3937.1 Ų37.118%0.18219%0.192CC..Hα-helixtrans-67.2-46.5174.9-73.3165.7136.100110.7L362 S363 P364 I368 S369 Y370 Y592L362-E366 HydrophobicContact CB-CB 3.96Å; L362-E366 HydrophobicContact CD2-CB 4.21Å; L362-E366 HydrophobicContact CG-CB 4.5Å; S363-E366 VanDerWaalsContact CB-OE2 3.26Å; S363-E366 WeakPolarHBondContact CB-OE2 3.4Å; S363-E366 PolarHBondContact N-OE2 3.46Å; S363-E366 WeakPolarHBondContact O-CA 3.26Å; S363-E366 WeakPolarHBondContact O-CB 3.49Å; S363-E366 PolarHBondContact O-N 3.36Å; S363-E366 VanDerWaalsContact OG-CD 3.29Å; S363-E366 WeakPolarHBondContact OG-CG 3.45Å; S363-E366 PolarHBondContact OG-OE2 3.47Å; P364-E366 VanDerWaalsContact C-N 3.33Å; P364-E366 PolarHBondContact O-N 2.93Å; E366-I368 PolarHBondContact O-N 3.12Å; E366-S369 WeakPolarHBondContact O-CA 3.2Å; E366-S369 VanDerWaalsContact O-CB 3.3Å; E366-S369 WeakPolarHBondContact O-CB 3.48Å; E366-S369 PolarHBondContact O-N 3.2Å; E366-Y370 HydrophobicContact CB-CD2 4.35Å; E366-Y370 HydrophobicContact CB-CE2 4.28Å; E366-Y370 WeakPolarHBondContact O-CD2 3.18Å; E366-Y370 PolarHBondContact O-N 3.25Å; E366-Y592 HydrophobicContact CG-CD2 4.4Å; E366-Y592 HydrophobicContact CG-CE1 4.48Å; E366-Y592 HydrophobicContact CG-CE2 3.55Å
367E97.7Very high93.6Very high1 Ų130.2 Ų30.21%0.00516%0.16CC..Hα-helixtrans-55.8-40.7174.7-70.2-168.3-171.200111.5H226 L228 R229 F284 L362 S363 P364 S369 Y370 G371H226-E367 IonicContact CD2-OE2 2.97Å; H226-E367 IonicContact CE1-OE2 3.34Å; H226-E367 IonicContact NE2-OE2 3.62Å; H226-E367 PolarHBondContact NE2-OE2 3.39Å; L228-E367 WeakPolarHBondContact CA-OE2 3.16Å; L228-E367 HydrophobicContact CD1-CB 3.65Å; L228-E367 WeakPolarHBondContact CD1-OE2 3.46Å; R229-E367 PolarHBondContact N-OE2 3.38Å; F284-E367 HydrophobicContact CE2-CB 4.4Å; F284-E367 HydrophobicContact CE2-CG 4.37Å; L362-E367 HydrophobicContact CB-CG 3.81Å; S363-E367 PolarHBondContact O-N 3Å; P364-E367 PolarHBondContact O-N 2.76Å; E367-S369 VanDerWaalsContact C-N 3.34Å; E367-Y370 PolarHBondContact O-N 3.33Å; E367-G371 PolarHBondContact O-N 3.32Å
368I98.3Very high94.7Very high1 Ų129 Ų291%0.00515%0.152CC..Hα-helixtrans-68.1-32174.9-66.3165.7000112.1L228 P364 P365 E366 P372 I581 D585 F589L228-I368 HydrophobicContact CD1-CD1 4.49Å; L228-I368 HydrophobicContact CD1-CG1 3.95Å; L228-I368 HydrophobicContact CD2-CD1 4.19Å; L228-I368 HydrophobicContact CD2-CG1 4.38Å; P364-I368 VanDerWaalsContact O-CG1 3.27Å; P364-I368 WeakPolarHBondContact O-CG1 3.16Å; P364-I368 PolarHBondContact O-N 2.88Å; P365-I368 PolarHBondContact O-N 3Å; E366-I368 PolarHBondContact O-N 3.12Å; I368-P372 WeakPolarHBondContact O-CD 3.27Å; I368-P372 VanDerWaalsContact O-CG 3.29Å; I368-P372 WeakPolarHBondContact O-CG 3.44Å; I368-I581 HydrophobicContact CD1-CG2 3.8Å; I368-I581 HydrophobicContact CG1-CD1 4.09Å; I368-I581 HydrophobicContact CG1-CG2 4.42Å; I368-I581 HydrophobicContact CG2-CD1 3.85Å; I368-D585 HydrophobicContact CD1-CB 3.83Å; I368-F589 HydrophobicContact CB-CB 4.45Å; I368-F589 HydrophobicContact CB-CD2 3.99Å; I368-F589 HydrophobicContact CB-CG 4.25Å; I368-F589 HydrophobicContact CD1-CB 4.34Å; I368-F589 HydrophobicContact CG2-CB 4Å; I368-F589 HydrophobicContact CG2-CD1 3.89Å; I368-F589 HydrophobicContact CG2-CD2 3.58Å; I368-F589 HydrophobicContact CG2-CE1 4.26Å; I368-F589 HydrophobicContact CG2-CE2 3.98Å; I368-F589 HydrophobicContact CG2-CG 3.53Å; I368-F589 HydrophobicContact CG2-CZ 4.3Å
369S97.9Very high95.7Very high4 Ų425.1 Ų25.13%0.02813%0.132CC..Hα-helixtrans-69.8-33.3176-169.50000112.3P365 E366 E367 A373 S407 Q411P365-S369 WeakPolarHBondContact O-CB 3.32Å; P365-S369 PolarHBondContact O-N 2.67Å; E366-S369 WeakPolarHBondContact O-CA 3.2Å; E366-S369 VanDerWaalsContact O-CB 3.3Å; E366-S369 WeakPolarHBondContact O-CB 3.48Å; E366-S369 PolarHBondContact O-N 3.2Å; E367-S369 VanDerWaalsContact C-N 3.34Å; S369-A373 WeakPolarHBondContact O-CB 3.1Å; S369-S407 WeakPolarHBondContact O-CB 3.26Å; S369-S407 PolarHBondContact O-OG 2.85Å; S369-S407 PolarHBondContact OG-OG 3.39Å; S369-Q411 PolarHBondContact O-NE2 3Å; S369-Q411 VanDerWaalsContact O-NE2 3.15Å
370Y97.4Very high96.6Very high80 Ų8022 Ų2231%0.31411%0.113SC..Hα-helixtrans-100-47.6-172.3-69.1-66.2000114.1F284 L362 E366 E367 A373 L374 Q411F284-Y370 HydrophobicContact CD2-CG 4.18Å; L362-Y370 HydrophobicContact CD1-CD2 3.92Å; L362-Y370 HydrophobicContact CD1-CE2 4.48Å; E366-Y370 HydrophobicContact CB-CD2 4.35Å; E366-Y370 HydrophobicContact CB-CE2 4.28Å; E366-Y370 WeakPolarHBondContact O-CD2 3.18Å; E366-Y370 PolarHBondContact O-N 3.25Å; E367-Y370 PolarHBondContact O-N 3.33Å; Y370-A373 WeakPolarHBondContact O-CB 3.07Å; Y370-A373 PolarHBondContact O-N 2.96Å; Y370-L374 PolarHBondContact O-N 3.19Å; Y370-Q411 VanDerWaalsContact CD1-CD 3.46Å; Y370-Q411 HydrophobicContact CD1-CG 4.25Å; Y370-Q411 HydrophobicContact CE1-CG 4.23Å
371G97.4Very high97.1Very high0 Ų018.1 Ų18.10%09%0.094CC..Hα-helixtrans-64.1-58.9-172.700000114.3E367 A373 L374 W375 Y726E367-G371 PolarHBondContact O-N 3.32Å; G371-A373 PolarHBondContact O-N 2.96Å; G371-L374 PolarHBondContact O-N 3.4Å; G371-W375 PolarHBondContact O-N 2.9Å; G371-Y726 VanDerWaalsContact C-CZ 3.41Å; G371-Y726 VanDerWaalsContact C-OH 3.31Å; G371-Y726 WeakPolarHBondContact CA-OH 3.37Å
372P98.2Very high97.4Very high0 Ų016.7 Ų16.70%08%0.084CC..Hα-helixtrans-56.1-35.1174.3-2430.7000113.2I368 W375 L376 I404 P577 I581 Y726I368-P372 WeakPolarHBondContact O-CD 3.27Å; I368-P372 VanDerWaalsContact O-CG 3.29Å; I368-P372 WeakPolarHBondContact O-CG 3.44Å; P372-W375 PolarHBondContact O-N 3.43Å; P372-L376 WeakPolarHBondContact O-CG 3.43Å; P372-L376 PolarHBondContact O-N 3.16Å; P372-I404 HydrophobicContact CB-CD1 3.98Å; P372-I404 HydrophobicContact CB-CG1 4.4Å; P372-I404 HydrophobicContact CB-CG2 3.77Å; P372-I404 HydrophobicContact CG-CD1 4.3Å; P372-P577 HydrophobicContact CB-CB 4.28Å; P372-I581 HydrophobicContact CG-CD1 4.21Å; P372-Y726 HydrophobicContact CB-CD1 4.07Å; P372-Y726 HydrophobicContact CB-CE1 4.28Å; P372-Y726 HydrophobicContact CB-CG 4.38Å; P372-Y726 VanDerWaalsContact CD-CE1 3.47Å; P372-Y726 HydrophobicContact CG-CD1 3.59Å; P372-Y726 HydrophobicContact CG-CE1 3.53Å; P372-Y726 HydrophobicContact CG-CG 4.38Å
373A98.1Very high97.4Very high0 Ų017.8 Ų17.80%010%0.095CC..Hα-helixtrans-64.8-47.5177.200000111.7S369 Y370 G371 W375 L376 W377 I404 L408S369-A373 WeakPolarHBondContact O-CB 3.1Å; Y370-A373 WeakPolarHBondContact O-CB 3.07Å; Y370-A373 PolarHBondContact O-N 2.96Å; G371-A373 PolarHBondContact O-N 2.96Å; A373-W375 VanDerWaalsContact C-N 3.29Å; A373-W375 PolarHBondContact O-N 2.86Å; A373-L376 PolarHBondContact O-N 3.49Å; A373-W377 PolarHBondContact O-N 3.2Å; A373-I404 HydrophobicContact CB-CG2 4.49Å; A373-L408 HydrophobicContact CB-CB 3.88Å
374L98Very high97.3Very high0 Ų022.6 Ų22.60%011%0.111CC..Hα-helixtrans-60.1-40.5174.4177.760.7000111.7R256 F284 G285 F286 Y370 G371 W377 D378R256-L374 HydrophobicContact CG-CD2 3.98Å; F284-L374 HydrophobicContact CB-CD2 4.39Å; F284-L374 HydrophobicContact CD1-CD2 4.27Å; G285-L374 WeakPolarHBondContact O-CD1 3.45Å; F286-L374 HydrophobicContact CD1-CD1 3.99Å; F286-L374 HydrophobicContact CE1-CB 4.32Å; F286-L374 HydrophobicContact CE1-CD1 4.06Å; Y370-L374 PolarHBondContact O-N 3.19Å; G371-L374 PolarHBondContact O-N 3.4Å; L374-W377 WeakPolarHBondContact O-CB 3.46Å; L374-W377 PolarHBondContact O-N 3.29Å; L374-D378 PolarHBondContact O-N 3.41Å; L374-D378 VanDerWaalsContact O-N 3.07Å
375W98.4Very high97.3Very high1 Ų121.5 Ų21.50%0.00410%0.104CC..Hα-helixtrans-64.2-42.9177.3-177.579.7000112.7C258 G261 C264 G371 P372 A373 W377 D378 N379 L575 Y726C258-W375 HydrophobicContact CB-CG 4.43Å; G261-W375 PolarHBondContact O-NE1 3.44Å; C264-W375 HydrophobicContact CB-CB 4.22Å; C264-W375 HydrophobicContact CB-CG 4.49Å; G371-W375 PolarHBondContact O-N 2.9Å; P372-W375 PolarHBondContact O-N 3.43Å; A373-W375 VanDerWaalsContact C-N 3.29Å; A373-W375 PolarHBondContact O-N 2.86Å; W375-W377 VanDerWaalsContact C-N 3.34Å; W375-D378 PolarHBondContact O-N 3.23Å; W375-N379 VanDerWaalsContact CE2-ND2 3.3Å; W375-N379 PolarHBondContact NE1-ND2 2.98Å; W375-N379 PolarHBondContact O-N 3.1Å; W375-N379 VanDerWaalsContact O-N 3.08Å; W375-N379 PolarHBondContact O-ND2 3.4Å; W375-L575 HydrophobicContact CH2-CB 3.89Å; W375-L575 HydrophobicContact CH2-CD1 4.48Å; W375-L575 HydrophobicContact CH2-CD2 3.67Å; W375-L575 HydrophobicContact CH2-CG 4.22Å; W375-L575 HydrophobicContact CZ2-CD2 4.11Å; W375-L575 HydrophobicContact CZ3-CB 4.03Å; W375-L575 HydrophobicContact CZ3-CD2 4.45Å; W375-Y726 HydrophobicContact CB-CD2 3.4Å; W375-Y726 HydrophobicContact CB-CE2 3.6Å; W375-Y726 HydrophobicContact CB-CG 4.49Å; W375-Y726 AromaticContact CD1-CD2 3.9Å; W375-Y726 AromaticContact CD2-CD2 3.84Å; W375-Y726 HydrophobicContact CD2-CD2 3.84Å; W375-Y726 HydrophobicContact CD2-CG 4.45Å; W375-Y726 HydrophobicContact CE3-CD2 4.31Å; W375-Y726 AromaticContact CG-CD2 3.44Å; W375-Y726 HydrophobicContact CG-CD2 3.44Å; W375-Y726 VanDerWaalsContact CG-CD2 3.44Å; W375-Y726 HydrophobicContact CG-CE2 4.06Å; W375-Y726 HydrophobicContact CG-CG 4.44Å
376L98.4Very high97.3Very high0 Ų020.8 Ų20.80%010%0.099CC..Hα-helixtrans-64.6-37.3174.1-73.4-179.6000112.1P372 A373 N379 L380 F388 I404 V405 L408 L552 L575 P577P372-L376 WeakPolarHBondContact O-CG 3.43Å; P372-L376 PolarHBondContact O-N 3.16Å; A373-L376 PolarHBondContact O-N 3.49Å; L376-N379 PolarHBondContact O-N 2.87Å; L376-L380 VanDerWaalsContact O-CB 3.27Å; L376-L380 WeakPolarHBondContact O-CB 3.45Å; L376-L380 PolarHBondContact O-N 2.75Å; L376-F388 HydrophobicContact CB-CE1 4.45Å; L376-F388 HydrophobicContact CB-CZ 3.92Å; L376-F388 HydrophobicContact CD2-CE1 4.03Å; L376-F388 HydrophobicContact CD2-CZ 4.34Å; L376-I404 HydrophobicContact CD1-CG2 3.8Å; L376-V405 HydrophobicContact CD1-CG2 3.99Å; L376-L408 HydrophobicContact CB-CD2 3.95Å; L376-L552 HydrophobicContact CD2-CD2 3.94Å; L376-L575 HydrophobicContact CD2-CD1 4.28Å; L376-P577 HydrophobicContact CD1-CB 4.03Å; L376-P577 HydrophobicContact CD1-CG 4.23Å; L376-P577 HydrophobicContact CD2-CB 4.27Å; L376-P577 HydrophobicContact CG-CB 4.2Å
377W97.9Very high97.3Very high1 Ų119 Ų190%0.0049%0.09CC..Hα-helixtrans-58.5-51.2175.3175.2-121.9000112F286 A373 L374 W375 N379 L380 R381 L408 I412 V423 D426 L427 I430F286-W377 HydrophobicContact CD2-CB 4.47Å; F286-W377 AromaticContact CD2-CD1 3.55Å; F286-W377 HydrophobicContact CD2-CD2 4.12Å; F286-W377 AromaticContact CD2-CG 3.8Å; F286-W377 HydrophobicContact CD2-CG 3.8Å; F286-W377 AromaticContact CD2-NE1 3.7Å; F286-W377 HydrophobicContact CE2-CB 3.71Å; F286-W377 AromaticContact CE2-CD1 3.66Å; F286-W377 AromaticContact CE2-CD2 3.87Å; F286-W377 HydrophobicContact CE2-CD2 3.87Å; F286-W377 AromaticContact CE2-CG 3.43Å; F286-W377 HydrophobicContact CE2-CG 3.43Å; F286-W377 VanDerWaalsContact CE2-CG 3.43Å; F286-W377 HydrophobicContact CZ-CB 3.97Å; F286-W377 HydrophobicContact CZ-CG 4.16Å; A373-W377 PolarHBondContact O-N 3.2Å; L374-W377 WeakPolarHBondContact O-CB 3.46Å; L374-W377 PolarHBondContact O-N 3.29Å; W375-W377 VanDerWaalsContact C-N 3.34Å; W377-N379 PolarHBondContact O-N 3.24Å; W377-L380 PolarHBondContact O-N 2.83Å; W377-R381 HydrophobicContact CH2-CB 4.44Å; W377-R381 HydrophobicContact CZ2-CB 4.37Å; W377-R381 WeakPolarHBondContact O-CG 3.47Å; W377-R381 PolarHBondContact O-N 3.46Å; W377-L408 HydrophobicContact CB-CD1 3.62Å; W377-L408 HydrophobicContact CE3-CD1 4.39Å; W377-L408 HydrophobicContact CG-CD1 4.35Å; W377-I412 HydrophobicContact CD2-CD1 4.39Å; W377-I412 HydrophobicContact CD2-CG1 4.39Å; W377-I412 HydrophobicContact CE3-CD1 3.54Å; W377-I412 HydrophobicContact CE3-CG1 3.99Å; W377-I412 HydrophobicContact CZ3-CD1 3.65Å; W377-I412 HydrophobicContact CZ3-CG1 4.16Å; W377-V423 HydrophobicContact CH2-CG1 4.39Å; W377-V423 HydrophobicContact CZ2-CB 4.44Å; W377-V423 HydrophobicContact CZ2-CG1 3.96Å; W377-D426 HydrophobicContact CH2-CB 3.84Å; W377-D426 HydrophobicContact CZ2-CB 3.76Å; W377-L427 HydrophobicContact CH2-CB 4.37Å; W377-I430 HydrophobicContact CH2-CD1 3.93Å; W377-I430 HydrophobicContact CZ3-CD1 3.66Å
378D98Very high97.4Very high0 Ų018.9 Ų18.90%09%0.09CC..Hα-helixtrans-65.2-40.3-178.8-76.2-36.6000111.7N23 G257 C258 L374 W375 R381 R382N23-D378 PolarHBondContact ND2-OD1 3.49Å; N23-D378 PolarHBondContact ND2-OD2 3.12Å; G257-D378 WeakPolarHBondContact CA-OD2 3.47Å; C258-D378 HydrophobicContact CB-CB 3.7Å; C258-D378 PolarHBondContact N-OD2 2.89Å; L374-D378 PolarHBondContact O-N 3.41Å; L374-D378 VanDerWaalsContact O-N 3.07Å; W375-D378 PolarHBondContact O-N 3.23Å; D378-R381 IonicContact OD1-CZ 3.77Å; D378-R381 VanDerWaalsContact OD1-CZ 3.23Å; D378-R381 IonicContact OD1-NE 3.62Å; D378-R381 PolarHBondContact OD1-NE 2.92Å; D378-R381 IonicContact OD1-NH2 2.89Å; D378-R381 PolarHBondContact OD1-NH2 3.07Å; D378-R382 WeakPolarHBondContact O-CB 3.23Å; D378-R382 WeakPolarHBondContact O-CD 3.23Å; D378-R382 WeakPolarHBondContact O-CG 3.22Å; D378-R382 PolarHBondContact O-N 2.93Å; D378-R382 VanDerWaalsContact O-N 3.13Å
379N97.4Very high97.4Very high35 Ų3518.9 Ų18.919%0.1879%0.09CC..Hα-helixtrans-60.7-47.9174-83.7-85.2000111.6W375 L376 W377 S383 L575W375-N379 VanDerWaalsContact CE2-ND2 3.3Å; W375-N379 PolarHBondContact NE1-ND2 2.98Å; W375-N379 PolarHBondContact O-N 3.1Å; W375-N379 VanDerWaalsContact O-N 3.08Å; W375-N379 PolarHBondContact O-ND2 3.4Å; L376-N379 PolarHBondContact O-N 2.87Å; W377-N379 PolarHBondContact O-N 3.24Å; N379-S383 VanDerWaalsContact O-CB 3.22Å; N379-S383 WeakPolarHBondContact O-CB 3.47Å; N379-S383 PolarHBondContact O-N 3.26Å; N379-S383 PolarHBondContact O-OG 2.87Å; N379-L575 HydrophobicContact CB-CD1 3.73Å
380L97.4Very high97.4Very high0 Ų018.7 Ų18.70%09%0.089CC..Hα-helixtrans-61.4-50.8-178.3-179.767.7000112.6L376 W377 R382 S383 K384 S385 F388 I430 L449L376-L380 VanDerWaalsContact O-CB 3.27Å; L376-L380 WeakPolarHBondContact O-CB 3.45Å; L376-L380 PolarHBondContact O-N 2.75Å; W377-L380 PolarHBondContact O-N 2.83Å; L380-R382 VanDerWaalsContact C-N 3.33Å; L380-R382 PolarHBondContact O-N 3.24Å; L380-S383 PolarHBondContact O-OG 3.07Å; L380-K384 PolarHBondContact O-N 3.16Å; L380-S385 VanDerWaalsContact CD1-O 3.26Å; L380-S385 WeakPolarHBondContact CD1-O 3.06Å; L380-S385 PolarHBondContact O-N 3.26Å; L380-F388 HydrophobicContact CB-CE1 4.45Å; L380-F388 HydrophobicContact CB-CE2 4.49Å; L380-F388 HydrophobicContact CB-CZ 3.82Å; L380-F388 HydrophobicContact CD1-CE1 4.48Å; L380-F388 HydrophobicContact CD1-CE2 4.41Å; L380-F388 HydrophobicContact CD1-CZ 4.18Å; L380-F388 HydrophobicContact CD2-CE2 3.89Å; L380-F388 HydrophobicContact CD2-CZ 4.06Å; L380-F388 HydrophobicContact CG-CZ 4.24Å; L380-I430 HydrophobicContact CD2-CD1 4.01Å; L380-I430 HydrophobicContact CD2-CG2 4.34Å; L380-I430 HydrophobicContact CG-CD1 3.91Å; L380-I430 HydrophobicContact CG-CG1 4.43Å; L380-I430 HydrophobicContact CG-CG2 4.41Å; L380-L449 HydrophobicContact CD2-CD1 4.35Å; L380-L449 HydrophobicContact CD2-CD2 4.1Å
381R96.1Very high97.4Very high28 Ų2815.9 Ų15.911%0.1068%0.081CC..Hα-helixtrans-69.9-31.4-17677.4-164.9-176.6102.6-6.9112.7N23 D288 W377 D378 D426 I430N23-R381 PolarHBondContact ND2-NH2 2.96Å; N23-R381 VanDerWaalsContact ND2-NH2 3.15Å; D288-R381 IonicContact OD1-CZ 2.71Å; D288-R381 IonicContact OD1-NH1 3.28Å; D288-R381 PolarHBondContact OD1-NH1 3.07Å; D288-R381 IonicContact OD1-NH2 2.87Å; D288-R381 PolarHBondContact OD1-NH2 3.01Å; W377-R381 HydrophobicContact CH2-CB 4.44Å; W377-R381 HydrophobicContact CZ2-CB 4.37Å; W377-R381 WeakPolarHBondContact O-CG 3.47Å; W377-R381 PolarHBondContact O-N 3.46Å; D378-R381 IonicContact OD1-CZ 3.77Å; D378-R381 VanDerWaalsContact OD1-CZ 3.23Å; D378-R381 IonicContact OD1-NE 3.62Å; D378-R381 PolarHBondContact OD1-NE 2.92Å; D378-R381 IonicContact OD1-NH2 2.89Å; D378-R381 PolarHBondContact OD1-NH2 3.07Å; R381-D426 HydrophobicContact CB-CB 4.19Å; R381-D426 WeakPolarHBondContact CD-OD2 3.39Å; R381-D426 IonicContact CZ-OD2 2.75Å; R381-D426 IonicContact NH1-OD2 3.2Å; R381-D426 PolarHBondContact NH1-OD2 3.3Å; R381-I430 HydrophobicContact CB-CD1 3.99Å
382R96.2Very high97.4Very high30 Ų3016 Ų1611%0.1138%0.081CC..Hα-helixtrans-84.7-32.9-179.1-65.6173.3-178.5-167.44.7112.7N23 Q24 W25 C258 D378 L380 K384N23-R382 PolarHBondContact OD1-NH2 2.96Å; Q24-R382 PolarHBondContact O-NH2 3.49Å; W25-R382 HydrophobicContact CD2-CG 4.18Å; W25-R382 HydrophobicContact CE3-CG 4.26Å; W25-R382 VanDerWaalsContact CG-NH1 3.3Å; W25-R382 HydrophobicContact CH2-CB 4.02Å; W25-R382 HydrophobicContact CH2-CG 4.32Å; W25-R382 HydrophobicContact CZ2-CB 3.84Å; W25-R382 HydrophobicContact CZ2-CG 4.26Å; W25-R382 HydrophobicContact CZ3-CG 4.32Å; C258-R382 PolarHBondContact O-NH1 2.92Å; C258-R382 PolarHBondContact O-NH2 3Å; D378-R382 WeakPolarHBondContact O-CB 3.23Å; D378-R382 WeakPolarHBondContact O-CD 3.23Å; D378-R382 WeakPolarHBondContact O-CG 3.22Å; D378-R382 PolarHBondContact O-N 2.93Å; D378-R382 VanDerWaalsContact O-N 3.13Å; L380-R382 VanDerWaalsContact C-N 3.33Å; L380-R382 PolarHBondContact O-N 3.24Å; R382-K384 PolarHBondContact O-N 3.37Å
383S95.5Very high97.3Very high57 Ų5718.8 Ų18.840%0.39910%0.101SC..Hα-helixtrans-73.4-18169.974.30000112.5N379 L380 S385N379-S383 VanDerWaalsContact O-CB 3.22Å; N379-S383 WeakPolarHBondContact O-CB 3.47Å; N379-S383 PolarHBondContact O-N 3.26Å; N379-S383 PolarHBondContact O-OG 2.87Å; L380-S383 PolarHBondContact O-OG 3.07Å; S383-S385 PolarHBondContact O-N 3.17Å; S383-S385 VanDerWaalsContact OG-CB 3.24Å; S383-S385 WeakPolarHBondContact OG-CB 3.35Å; S383-S385 PolarHBondContact OG-N 3.48Å; S383-S385 VanDerWaalsContact OG-N 3.16Å; S383-S385 PolarHBondContact OG-OG 3.5Å
384K94.5Very high97Very high145 Ų14518.8 Ų18.863%0.6310%0.101SC*.THydrogen-bonded Turntrans56.228.9-171.7-52.9179.4-179.1179.50112L380 R382 S547L380-K384 PolarHBondContact O-N 3.16Å; R382-K384 PolarHBondContact O-N 3.37Å; K384-S547 WeakPolarHBondContact O-CB 3.41Å; K384-S547 PolarHBondContact O-OG 3.46Å; K384-S547 VanDerWaalsContact O-OG 3.06Å
385S96.4Very high96.8Very high12 Ų1220 Ų208%0.08411%0.113CC..  trans-70.9153.8173.1-63.50000109.7L380 S383 G387 I430 G548 L550L380-S385 VanDerWaalsContact CD1-O 3.26Å; L380-S385 WeakPolarHBondContact CD1-O 3.06Å; L380-S385 PolarHBondContact O-N 3.26Å; S383-S385 PolarHBondContact O-N 3.17Å; S383-S385 VanDerWaalsContact OG-CB 3.24Å; S383-S385 WeakPolarHBondContact OG-CB 3.35Å; S383-S385 PolarHBondContact OG-N 3.48Å; S383-S385 VanDerWaalsContact OG-N 3.16Å; S383-S385 PolarHBondContact OG-OG 3.5Å; S385-G387 VanDerWaalsContact C-N 3.33Å; S385-I430 WeakPolarHBondContact O-CG2 3.36Å; S385-G548 WeakPolarHBondContact CA-O 3.49Å; S385-G548 WeakPolarHBondContact CB-O 3.31Å; S385-L550 WeakPolarHBondContact OG-CG 3.37Å
386S96.5Very high96.7Very high3 Ų320.6 Ų20.62%0.02112%0.116CC..  trans-84.7-6.9-175.8-65.90000114.3P546 S547 G548S386-P546 VanDerWaalsContact OG-CD 3.24Å; S386-P546 WeakPolarHBondContact OG-CD 3.24Å; S386-P546 VanDerWaalsContact OG-CG 3.26Å; S386-P546 WeakPolarHBondContact OG-CG 3.34Å; S386-S547 WeakPolarHBondContact CB-O 3.47Å; S386-S547 PolarHBondContact OG-N 3.02Å; S386-S547 PolarHBondContact OG-O 3.36Å; S386-G548 PolarHBondContact N-O 3.1Å
387G97.9Very high96.6Very high0 Ų021.2 Ų21.20%012%0.119CC..EExtended strand (participates in β ladder)trans158-157.1-179.500000111.8S385 L449 L549 L550S385-G387 VanDerWaalsContact C-N 3.33Å; G387-L449 CarbonylContact C-O 3.24Å; G387-L449 VanDerWaalsContact CA-O 3.27Å; G387-L449 WeakPolarHBondContact CA-O 3.27Å; G387-L549 WeakPolarHBondContact O-CA 3.42Å; G387-L550 PolarHBondContact O-N 3.4Å
388F98.7Very high96.6Very high0 Ų021.2 Ų21.20%012%0.119CC..EExtended strand (participates in β ladder)trans-122.7147.4-175.3-56.9-72.5000111.6L376 L380 V405 L408 L449 L450 T451 L550 L552L376-F388 HydrophobicContact CB-CE1 4.45Å; L376-F388 HydrophobicContact CB-CZ 3.92Å; L376-F388 HydrophobicContact CD2-CE1 4.03Å; L376-F388 HydrophobicContact CD2-CZ 4.34Å; L380-F388 HydrophobicContact CB-CE1 4.45Å; L380-F388 HydrophobicContact CB-CE2 4.49Å; L380-F388 HydrophobicContact CB-CZ 3.82Å; L380-F388 HydrophobicContact CD1-CE1 4.48Å; L380-F388 HydrophobicContact CD1-CE2 4.41Å; L380-F388 HydrophobicContact CD1-CZ 4.18Å; L380-F388 HydrophobicContact CD2-CE2 3.89Å; L380-F388 HydrophobicContact CD2-CZ 4.06Å; L380-F388 HydrophobicContact CG-CZ 4.24Å; F388-V405 HydrophobicContact CD2-CG1 4.05Å; F388-V405 HydrophobicContact CD2-CG2 4.39Å; F388-L408 HydrophobicContact CE2-CD2 3.76Å; F388-L408 HydrophobicContact CZ-CD2 4.2Å; F388-L449 PolarHBondContact N-O 3.4Å; F388-L450 HydrophobicContact CB-CD1 4.08Å; F388-T451 PolarHBondContact O-N 2.94Å; F388-L550 CarbonylContact C-O 3.54Å; F388-L550 VanDerWaalsContact CA-O 3.29Å; F388-L550 WeakPolarHBondContact CA-O 3.5Å; F388-L550 HydrophobicContact CD1-CB 3.94Å; F388-L550 HydrophobicContact CD1-CD1 4.43Å; F388-L550 HydrophobicContact CE1-CB 4.33Å; F388-L550 HydrophobicContact CE1-CD1 3.99Å; F388-L552 HydrophobicContact CB-CD1 3.78Å; F388-L552 HydrophobicContact CB-CG 4.09Å; F388-L552 HydrophobicContact CD1-CD1 3.92Å; F388-L552 HydrophobicContact CD1-CD2 3.75Å; F388-L552 HydrophobicContact CD1-CG 3.95Å; F388-L552 HydrophobicContact CE1-CD2 4.25Å; F388-L552 HydrophobicContact CG-CD1 3.92Å; F388-L552 HydrophobicContact CG-CG 4.31Å
389F98.7Very high96.6Very high0 Ų021.2 Ų21.20%012%0.119CC..EExtended strand (participates in β ladder)trans-116130.7168.4-175.2-83.7000109.9T451 C453 M455 A532 L535 A536 I539 L549 L550 V551 L552F389-T451 CarbonylContact C-O 3.57Å; F389-T451 WeakPolarHBondContact CA-O 3.35Å; F389-T451 HydrophobicContact CD2-CG2 4.08Å; F389-T451 HydrophobicContact CE2-CG2 4.3Å; F389-C453 HydrophobicContact CE1-CB 4.3Å; F389-C453 HydrophobicContact CE2-CB 4.03Å; F389-C453 HydrophobicContact CZ-CB 3.5Å; F389-C453 VanDerWaalsContact CZ-CB 3.5Å; F389-M455 HydrophobicContact CE1-CE 4.15Å; F389-M455 HydrophobicContact CZ-CE 3.96Å; F389-A532 HydrophobicContact CD1-CB 4.19Å; F389-A532 HydrophobicContact CE1-CB 3.62Å; F389-A532 HydrophobicContact CZ-CB 4.49Å; F389-L535 HydrophobicContact CE2-CB 3.72Å; F389-L535 HydrophobicContact CE2-CD1 4.32Å; F389-L535 HydrophobicContact CZ-CB 3.91Å; F389-L535 HydrophobicContact CZ-CD1 4.01Å; F389-A536 HydrophobicContact CB-CB 3.85Å; F389-A536 HydrophobicContact CD1-CB 4.47Å; F389-A536 HydrophobicContact CD2-CB 4.26Å; F389-A536 HydrophobicContact CG-CB 3.94Å; F389-I539 HydrophobicContact CD2-CD1 3.72Å; F389-I539 HydrophobicContact CE2-CD1 3.69Å; F389-L549 HydrophobicContact CB-CB 4.2Å; F389-L549 HydrophobicContact CB-CD1 4.26Å; F389-L549 HydrophobicContact CD2-CD1 4.49Å; F389-L550 PolarHBondContact N-O 2.96Å; F389-V551 HydrophobicContact CD1-CG1 4.47Å; F389-L552 PolarHBondContact O-N 2.83Å
390L98.7Very high96.6Very high1 Ų119.5 Ų19.51%0.00511%0.11CC..EExtended strand (participates in β ladder)trans-133.6125.9-179.9175.865.1000111.6L392 V401 A402 L450 T451 T452 C453 L552L390-L392 HydrophobicContact CD2-CD1 4.42Å; L390-L392 PolarHBondContact O-N 3.02Å; L390-L392 VanDerWaalsContact O-N 3.11Å; L390-V401 HydrophobicContact CD1-CB 4.12Å; L390-V401 HydrophobicContact CD1-CG1 3.83Å; L390-V401 HydrophobicContact CD2-CB 4.02Å; L390-V401 HydrophobicContact CD2-CG1 3.91Å; L390-V401 HydrophobicContact CG-CG1 4.46Å; L390-A402 HydrophobicContact CD2-CB 3.93Å; L390-L450 HydrophobicContact CB-CD1 4.21Å; L390-T451 PolarHBondContact N-O 2.95Å; L390-T452 HydrophobicContact CB-CG2 4.4Å; L390-T452 HydrophobicContact CD2-CG2 4.46Å; L390-T452 CarbonylContact O-C 3.6Å; L390-T452 VanDerWaalsContact O-CA 3.29Å; L390-T452 WeakPolarHBondContact O-CA 3.43Å; L390-C453 PolarHBondContact O-N 2.97Å; L390-L552 HydrophobicContact CD1-CB 4.21Å
391C97.9Very high96.7Very high21 Ų2119.5 Ų19.514%0.14211%0.11CC..EExtended strand (participates in β ladder)trans-71.4100.3165.4-68.70000109.6C453 A532 C570C391-C453 CarbonylContact C-O 3.58Å; C391-C453 WeakPolarHBondContact CA-O 3.49Å; C391-A532 VanDerWaalsContact SG-CB 3.58Å; C391-C570 VanDerWaalsContact SG-SG 3.69Å
392L97.6Very high96.8Very high2 Ų218.2 Ų18.21%0.0111%0.105CC..  trans-89.2113.5-177.7-172.466.3000109.2L390 A402 T452 C453 F454 A468 L471 A472L390-L392 HydrophobicContact CD2-CD1 4.42Å; L390-L392 PolarHBondContact O-N 3.02Å; L390-L392 VanDerWaalsContact O-N 3.11Å; L392-A402 HydrophobicContact CD1-CB 4.27Å; L392-T452 HydrophobicContact CB-CG2 4.36Å; L392-T452 HydrophobicContact CD2-CG2 4.3Å; L392-C453 PolarHBondContact N-O 3.03Å; L392-F454 WeakPolarHBondContact O-CA 3.37Å; L392-F454 VanDerWaalsContact O-CD2 3.24Å; L392-F454 WeakPolarHBondContact O-CD2 3.28Å; L392-A468 HydrophobicContact CD2-CB 4.09Å; L392-A468 WeakPolarHBondContact CD2-O 3.33Å; L392-A468 HydrophobicContact CG-CB 4.06Å; L392-L471 HydrophobicContact CD1-CD2 4.23Å; L392-L471 HydrophobicContact CD2-CD2 4.47Å; L392-A472 HydrophobicContact CD2-CB 3.94Å
393S94.4Very high96.9Very high59 Ų5916.8 Ų16.841%0.41310%0.1SC..  trans-91.5-15.4-176.6670000113.9G395 S398S393-G395 PolarHBondContact O-N 3.43Å; S393-G395 PolarHBondContact OG-N 3.11Å; S393-G395 VanDerWaalsContact OG-N 3.11Å; S393-S398 PolarHBondContact N-OG 3.13Å; S393-S398 PolarHBondContact OG-OG 3.39Å
394G92.9Very high97.1Very high0 Ų014 Ų140%08%0.081CC..SBendtrans74.99.6-168.500000113.7R467G394-R467 PolarHBondContact O-NE 2.85Å
395G93.7Very high97.3Very high24 Ų247.1 Ų7.125%0.2475%0.051CC..SBendtrans-96.9164.4166.300000112.7S393 D397 S398 T399S393-G395 PolarHBondContact O-N 3.43Å; S393-G395 PolarHBondContact OG-N 3.11Å; S393-G395 VanDerWaalsContact OG-N 3.11Å; G395-D397 VanDerWaalsContact C-N 3.34Å; G395-D397 PolarHBondContact O-N 3.24Å; G395-S398 PolarHBondContact O-N 3.29Å; G395-S398 PolarHBondContact O-OG 2.87Å; G395-T399 PolarHBondContact O-N 3.11Å; G395-T399 VanDerWaalsContact O-N 3.14Å; G395-T399 PolarHBondContact O-OG1 3.05Å
396L95.5Very high97.4Very high15 Ų156.6 Ų6.68%0.0795%0.047CC..Hα-helixtrans-47.8-48.8-171.4-175.475.3000113.8T399 A400 K583 L586 R587 I590 L617L396-T399 WeakPolarHBondContact O-CB 3.28Å; L396-T399 PolarHBondContact O-N 2.9Å; L396-A400 PolarHBondContact O-N 2.98Å; L396-K583 HydrophobicContact CD2-CD 4.28Å; L396-K583 HydrophobicContact CD2-CG 4.33Å; L396-L586 HydrophobicContact CD2-CB 4.29Å; L396-R587 HydrophobicContact CD1-CG 4.32Å; L396-R587 HydrophobicContact CD2-CG 3.57Å; L396-I590 HydrophobicContact CD1-CB 4.14Å; L396-I590 HydrophobicContact CD1-CG1 3.75Å; L396-I590 HydrophobicContact CD1-CG2 4.44Å; L396-L617 HydrophobicContact CD1-CD1 4.03Å
397D96.5Very high97.4Very high13 Ų136.7 Ų6.77%0.075%0.048CC..Hα-helixtrans-72.6-47.2-167.8-57.5-5.9000112G395 T399 A400 V401 S554 N556 I578 K583G395-D397 VanDerWaalsContact C-N 3.34Å; G395-D397 PolarHBondContact O-N 3.24Å; D397-T399 PolarHBondContact O-N 3.05Å; D397-A400 WeakPolarHBondContact O-CB 3.25Å; D397-A400 PolarHBondContact O-N 2.81Å; D397-A400 VanDerWaalsContact O-N 3.07Å; D397-V401 WeakPolarHBondContact O-CG2 3.43Å; D397-V401 PolarHBondContact O-N 3Å; D397-S554 VanDerWaalsContact CB-O 3.27Å; D397-S554 WeakPolarHBondContact CB-O 3.4Å; D397-N556 PolarHBondContact OD2-ND2 3.07Å; D397-I578 HydrophobicContact CB-CD1 3.84Å; D397-K583 WeakPolarHBondContact OD1-CD 3.38Å; D397-K583 WeakPolarHBondContact OD1-CE 3.5Å; D397-K583 IonicContact OD1-NZ 3.81Å; D397-K583 PolarHBondContact OD1-NZ 3.2Å; D397-K583 IonicContact OD2-NZ 3.59Å; D397-K583 PolarHBondContact OD2-NZ 3.49Å
398S97.3Very high97.5Very high0 Ų06.7 Ų6.70%05%0.048CC..Hα-helixtrans-63.3-32174.863.70000111.6S393 G395 V401 A402S393-S398 PolarHBondContact N-OG 3.13Å; S393-S398 PolarHBondContact OG-OG 3.39Å; G395-S398 PolarHBondContact O-N 3.29Å; G395-S398 PolarHBondContact O-OG 2.87Å; S398-V401 PolarHBondContact O-N 2.78Å; S398-A402 PolarHBondContact O-N 3.45Å
399T98.1Very high97.4Very high0 Ų06.7 Ų6.70%05%0.048CC..Hα-helixtrans-65.8-41.7171.5-67.50000111.6G395 L396 D397 V401 A402 C403 L471 I590 L613 I616G395-T399 PolarHBondContact O-N 3.11Å; G395-T399 VanDerWaalsContact O-N 3.14Å; G395-T399 PolarHBondContact O-OG1 3.05Å; L396-T399 WeakPolarHBondContact O-CB 3.28Å; L396-T399 PolarHBondContact O-N 2.9Å; D397-T399 PolarHBondContact O-N 3.05Å; T399-V401 PolarHBondContact O-N 3.41Å; T399-A402 PolarHBondContact O-N 2.72Å; T399-C403 WeakPolarHBondContact O-CB 3.3Å; T399-C403 PolarHBondContact O-N 2.96Å; T399-C403 PolarHBondContact O-SG 3.46Å; T399-L471 HydrophobicContact CG2-CD2 3.55Å; T399-L471 VanDerWaalsContact OG1-CD2 3.26Å; T399-L471 WeakPolarHBondContact OG1-CD2 3.28Å; T399-I590 HydrophobicContact CG2-CD1 3.85Å; T399-L613 HydrophobicContact CG2-CD2 3.57Å; T399-I616 HydrophobicContact CG2-CD1 3.93Å; T399-I616 HydrophobicContact CG2-CG2 4.24Å
400A98.4Very high97.3Very high0 Ų08.1 Ų8.10%06%0.055CC..Hα-helixtrans-61.8-43.1175.900000112.1L396 D397 A402 C403 I404 L586 F589 I590L396-A400 PolarHBondContact O-N 2.98Å; D397-A400 WeakPolarHBondContact O-CB 3.25Å; D397-A400 PolarHBondContact O-N 2.81Å; D397-A400 VanDerWaalsContact O-N 3.07Å; A400-A402 VanDerWaalsContact C-N 3.34Å; A400-A402 PolarHBondContact O-N 3.35Å; A400-C403 PolarHBondContact O-N 3.5Å; A400-I404 WeakPolarHBondContact O-CG1 3.32Å; A400-I404 PolarHBondContact O-N 3.08Å; A400-L586 HydrophobicContact CB-CD2 3.79Å; A400-F589 HydrophobicContact CB-CD1 4.07Å; A400-F589 HydrophobicContact CB-CE1 4.18Å; A400-I590 HydrophobicContact CB-CD1 4Å; A400-I590 HydrophobicContact CB-CG1 4.38Å
401V98.7Very high97.3Very high0 Ų09.3 Ų9.30%06%0.061CC..Hα-helixtrans-59.7-45.4173.8-178.90000111.1L390 D397 S398 T399 C403 I404 V405 L552 P577 I578L390-V401 HydrophobicContact CD1-CB 4.12Å; L390-V401 HydrophobicContact CD1-CG1 3.83Å; L390-V401 HydrophobicContact CD2-CB 4.02Å; L390-V401 HydrophobicContact CD2-CG1 3.91Å; L390-V401 HydrophobicContact CG-CG1 4.46Å; D397-V401 WeakPolarHBondContact O-CG2 3.43Å; D397-V401 PolarHBondContact O-N 3Å; S398-V401 PolarHBondContact O-N 2.78Å; T399-V401 PolarHBondContact O-N 3.41Å; V401-C403 VanDerWaalsContact C-N 3.34Å; V401-C403 PolarHBondContact O-N 3.18Å; V401-I404 PolarHBondContact O-N 3.08Å; V401-V405 WeakPolarHBondContact O-CG2 3.34Å; V401-V405 PolarHBondContact O-N 2.95Å; V401-L552 HydrophobicContact CG1-CB 4.03Å; V401-L552 HydrophobicContact CG1-CD1 3.75Å; V401-P577 HydrophobicContact CB-CG 4.48Å; V401-P577 HydrophobicContact CG1-CG 3.8Å; V401-P577 HydrophobicContact CG2-CG 4.16Å; V401-I578 HydrophobicContact CG2-CD1 3.73Å; V401-I578 HydrophobicContact CG2-CG1 3.83Å; V401-I578 HydrophobicContact CG2-CG2 4.07Å
402A98.6Very high97.2Very high0 Ų08.3 Ų8.30%05%0.054CC..Hα-helixtrans-62.2-40.6177.300000112.3L390 L392 S398 T399 A400 V405 F406 L475L390-A402 HydrophobicContact CD2-CB 3.93Å; L392-A402 HydrophobicContact CD1-CB 4.27Å; S398-A402 PolarHBondContact O-N 3.45Å; T399-A402 PolarHBondContact O-N 2.72Å; A400-A402 VanDerWaalsContact C-N 3.34Å; A400-A402 PolarHBondContact O-N 3.35Å; A402-V405 PolarHBondContact O-N 3.29Å; A402-F406 PolarHBondContact O-N 2.7Å; A402-L475 HydrophobicContact CB-CD1 3.71Å
403C98.6Very high97.2Very high0 Ų09.7 Ų9.70%06%0.06CC..Hα-helixtrans-65-37.8175.4-73.10000112.5T399 A400 V401 F406 S407 F589 I590 F597T399-C403 WeakPolarHBondContact O-CB 3.3Å; T399-C403 PolarHBondContact O-N 2.96Å; T399-C403 PolarHBondContact O-SG 3.46Å; A400-C403 PolarHBondContact O-N 3.5Å; V401-C403 VanDerWaalsContact C-N 3.34Å; V401-C403 PolarHBondContact O-N 3.18Å; C403-F406 PolarHBondContact O-N 3.12Å; C403-S407 WeakPolarHBondContact O-CB 3.43Å; C403-S407 PolarHBondContact O-N 2.96Å; C403-F589 HydrophobicContact CB-CE1 3.8Å; C403-F589 HydrophobicContact CB-CZ 3.92Å; C403-I590 HydrophobicContact CB-CD1 4.25Å; C403-F597 HydrophobicContact CB-CE2 3.81Å; C403-F597 HydrophobicContact CB-CZ 4.3Å; C403-F597 WeakPolarHBondContact O-CZ 3.19Å
404I98.8Very high97.2Very high0 Ų011.1 Ų11.10%06%0.06CC..Hα-helixtrans-62.6-45173.5-71.8166.4000110.6P372 A373 L376 A400 V401 F406 S407 L408 P577 I578 F589P372-I404 HydrophobicContact CB-CD1 3.98Å; P372-I404 HydrophobicContact CB-CG1 4.4Å; P372-I404 HydrophobicContact CB-CG2 3.77Å; P372-I404 HydrophobicContact CG-CD1 4.3Å; A373-I404 HydrophobicContact CB-CG2 4.49Å; L376-I404 HydrophobicContact CD1-CG2 3.8Å; A400-I404 WeakPolarHBondContact O-CG1 3.32Å; A400-I404 PolarHBondContact O-N 3.08Å; V401-I404 PolarHBondContact O-N 3.08Å; I404-F406 VanDerWaalsContact C-N 3.31Å; I404-F406 PolarHBondContact O-N 2.8Å; I404-S407 WeakPolarHBondContact O-CB 3.46Å; I404-S407 PolarHBondContact O-N 3.43Å; I404-L408 PolarHBondContact O-N 3.44Å; I404-P577 HydrophobicContact CD1-CB 4.35Å; I404-P577 HydrophobicContact CG2-CB 4.43Å; I404-I578 HydrophobicContact CD1-CG2 3.45Å; I404-I578 VanDerWaalsContact CD1-CG2 3.45Å; I404-F589 HydrophobicContact CD1-CE1 4.46Å; I404-F589 HydrophobicContact CG1-CE1 3.83Å; I404-F589 HydrophobicContact CG1-CZ 3.76Å
405V98.7Very high97.3Very high0 Ų011.3 Ų11.30%06%0.062CC..Hα-helixtrans-66.2-35.4177.7178.90000111.4L376 F388 V401 A402 L408 C409 L450 L552L376-V405 HydrophobicContact CD1-CG2 3.99Å; F388-V405 HydrophobicContact CD2-CG1 4.05Å; F388-V405 HydrophobicContact CD2-CG2 4.39Å; V401-V405 WeakPolarHBondContact O-CG2 3.34Å; V401-V405 PolarHBondContact O-N 2.95Å; A402-V405 PolarHBondContact O-N 3.29Å; V405-L408 WeakPolarHBondContact O-CB 3.11Å; V405-L408 PolarHBondContact O-N 2.78Å; V405-C409 PolarHBondContact O-N 2.97Å; V405-C409 PolarHBondContact O-SG 2.78Å; V405-L450 HydrophobicContact CB-CD1 4.48Å; V405-L450 HydrophobicContact CB-CD2 4.08Å; V405-L450 HydrophobicContact CG1-CB 3.86Å; V405-L450 HydrophobicContact CG1-CD1 4.15Å; V405-L450 HydrophobicContact CG1-CD2 3.96Å; V405-L450 HydrophobicContact CG1-CG 4.18Å; V405-L450 HydrophobicContact CG2-CD1 4.4Å; V405-L552 HydrophobicContact CG2-CD1 3.75Å
406F98.5Very high97.4Very high1 Ų111 Ų110%0.0046%0.055CC..Hα-helixtrans-67-40.9173.3-173-109.3000112.2A402 C403 I404 L408 C409 N410 R443 C446 L475 F597 M601A402-F406 PolarHBondContact O-N 2.7Å; C403-F406 PolarHBondContact O-N 3.12Å; I404-F406 VanDerWaalsContact C-N 3.31Å; I404-F406 PolarHBondContact O-N 2.8Å; F406-L408 VanDerWaalsContact C-N 3.34Å; F406-L408 PolarHBondContact O-N 3.15Å; F406-C409 PolarHBondContact O-N 3.1Å; F406-N410 WeakPolarHBondContact CD1-ND2 3.38Å; F406-N410 WeakPolarHBondContact CE1-ND2 3.27Å; F406-N410 PolarHBondContact O-N 3.2Å; F406-N410 PolarHBondContact O-ND2 3.39Å; F406-R443 HydrophobicContact CE2-CB 4.15Å; F406-C446 HydrophobicContact CD2-CB 4.1Å; F406-L475 HydrophobicContact CB-CD2 3.99Å; F406-L475 HydrophobicContact CD1-CD2 3.96Å; F406-L475 HydrophobicContact CD2-CB 4.2Å; F406-L475 HydrophobicContact CD2-CD2 4.04Å; F406-L475 HydrophobicContact CE1-CD2 4.41Å; F406-L475 HydrophobicContact CE2-CD2 4.49Å; F406-L475 WeakPolarHBondContact CE2-O 3.39Å; F406-L475 HydrophobicContact CG-CD2 3.73Å; F406-F597 HydrophobicContact CB-CE2 4.35Å; F406-F597 HydrophobicContact CD1-CD1 4.39Å; F406-F597 AromaticContact CD1-CD2 3.52Å; F406-F597 HydrophobicContact CD1-CD2 3.52Å; F406-F597 HydrophobicContact CD1-CE1 4.43Å; F406-F597 AromaticContact CD1-CE2 3.57Å; F406-F597 HydrophobicContact CD1-CE2 3.57Å; F406-F597 AromaticContact CD1-CG 3.95Å; F406-F597 HydrophobicContact CD1-CG 3.95Å; F406-F597 HydrophobicContact CD1-CZ 4.04Å; F406-F597 HydrophobicContact CE1-CB 4.17Å; F406-F597 AromaticContact CE1-CD2 3.9Å; F406-F597 HydrophobicContact CE1-CD2 3.9Å; F406-F597 HydrophobicContact CE1-CE2 4.39Å; F406-F597 AromaticContact CE1-CG 3.97Å; F406-F597 HydrophobicContact CE1-CG 3.97Å; F406-F597 HydrophobicContact CG-CE2 4.42Å; F406-M601 HydrophobicContact CZ-SD 4.27Å
407S98.2Very high97.3Very high5 Ų516.9 Ų16.94%0.0358%0.079CC..Hα-helixtrans-58.2-46.1171.7179.60000111.2S369 C403 I404 C409 N410 Q411S369-S407 WeakPolarHBondContact O-CB 3.26Å; S369-S407 PolarHBondContact O-OG 2.85Å; S369-S407 PolarHBondContact OG-OG 3.39Å; C403-S407 WeakPolarHBondContact O-CB 3.43Å; C403-S407 PolarHBondContact O-N 2.96Å; I404-S407 WeakPolarHBondContact O-CB 3.46Å; I404-S407 PolarHBondContact O-N 3.43Å; S407-C409 VanDerWaalsContact C-N 3.34Å; S407-C409 PolarHBondContact O-N 3.05Å; S407-N410 PolarHBondContact O-N 3.11Å; S407-Q411 WeakPolarHBondContact O-CB 3.34Å; S407-Q411 VanDerWaalsContact O-CG 3.31Å; S407-Q411 WeakPolarHBondContact O-CG 3.19Å; S407-Q411 PolarHBondContact O-N 2.8Å; S407-Q411 PolarHBondContact OG-NE2 3.47Å
408L98.3Very high97.2Very high0 Ų021.9 Ų21.90%010%0.102CC..Hα-helixtrans-52.9-50172.2164.360.7000111.4F286 A373 L376 W377 F388 I404 V405 F406 N410 Q411 I412F286-L408 HydrophobicContact CE2-CD1 3.69Å; F286-L408 HydrophobicContact CZ-CD1 3.61Å; A373-L408 HydrophobicContact CB-CB 3.88Å; L376-L408 HydrophobicContact CB-CD2 3.95Å; W377-L408 HydrophobicContact CB-CD1 3.62Å; W377-L408 HydrophobicContact CE3-CD1 4.39Å; W377-L408 HydrophobicContact CG-CD1 4.35Å; F388-L408 HydrophobicContact CE2-CD2 3.76Å; F388-L408 HydrophobicContact CZ-CD2 4.2Å; I404-L408 PolarHBondContact O-N 3.44Å; V405-L408 WeakPolarHBondContact O-CB 3.11Å; V405-L408 PolarHBondContact O-N 2.78Å; F406-L408 VanDerWaalsContact C-N 3.34Å; F406-L408 PolarHBondContact O-N 3.15Å; L408-N410 VanDerWaalsContact C-N 3.34Å; L408-N410 PolarHBondContact O-N 3Å; L408-Q411 PolarHBondContact O-N 3.33Å; L408-I412 HydrophobicContact CD1-CD1 3.61Å; L408-I412 HydrophobicContact CD1-CG1 3.87Å; L408-I412 HydrophobicContact CG-CD1 3.94Å; L408-I412 WeakPolarHBondContact O-CG1 3.26Å; L408-I412 PolarHBondContact O-N 2.9Å
409C98.1Very high97Very high0 Ų024.1 Ų24.10%013%0.125CC..Hα-helixtrans-61.6-41.1-179.6-65.10000112.5V405 F406 S407 F413 G442 L445 C446V405-C409 PolarHBondContact O-N 2.97Å; V405-C409 PolarHBondContact O-SG 2.78Å; F406-C409 PolarHBondContact O-N 3.1Å; S407-C409 VanDerWaalsContact C-N 3.34Å; S407-C409 PolarHBondContact O-N 3.05Å; C409-F413 WeakPolarHBondContact O-CB 2.85Å; C409-F413 PolarHBondContact O-N 2.87Å; C409-G442 VanDerWaalsContact CB-O 3.27Å; C409-G442 WeakPolarHBondContact CB-O 3.32Å; C409-L445 HydrophobicContact CB-CB 4.2Å; C409-L445 HydrophobicContact CB-CD2 4.2Å; C409-L445 HydrophobicContact CB-CG 4.16Å; C409-C446 HydrophobicContact CB-CB 4.33Å; C409-C446 VanDerWaalsContact SG-CA 3.55Å
410N97Very high96.7Very high30 Ų3028.5 Ų28.516%0.1614%0.142CC..Hα-helixtrans-65.6-38.6175.7-73.5-37.1000112.2F406 S407 L408 F413 Q414 G442 C600F406-N410 WeakPolarHBondContact CD1-ND2 3.38Å; F406-N410 WeakPolarHBondContact CE1-ND2 3.27Å; F406-N410 PolarHBondContact O-N 3.2Å; F406-N410 PolarHBondContact O-ND2 3.39Å; S407-N410 PolarHBondContact O-N 3.11Å; L408-N410 VanDerWaalsContact C-N 3.34Å; L408-N410 PolarHBondContact O-N 3Å; N410-F413 PolarHBondContact O-N 3.4Å; N410-Q414 WeakPolarHBondContact O-CB 3.34Å; N410-Q414 PolarHBondContact O-N 2.62Å; N410-G442 WeakPolarHBondContact OD1-CA 3.31Å; N410-C600 PolarHBondContact ND2-SG 2.81Å
411Q96.8Very high96.3Very high26 Ų2635 Ų3512%0.12117%0.174CC..Hα-helixtrans-68.6-41.6177.5-72.2177.46500112.5F286 S369 Y370 S407 L408 F413 Q414 A415F286-Q411 HydrophobicContact CD1-CB 4.48Å; F286-Q411 HydrophobicContact CE1-CB 3.85Å; F286-Q411 VanDerWaalsContact CE1-OE1 3.23Å; F286-Q411 HydrophobicContact CE2-CB 4.42Å; F286-Q411 HydrophobicContact CZ-CB 3.81Å; S369-Q411 PolarHBondContact O-NE2 3Å; S369-Q411 VanDerWaalsContact O-NE2 3.15Å; Y370-Q411 VanDerWaalsContact CD1-CD 3.46Å; Y370-Q411 HydrophobicContact CD1-CG 4.25Å; Y370-Q411 HydrophobicContact CE1-CG 4.23Å; S407-Q411 WeakPolarHBondContact O-CB 3.34Å; S407-Q411 VanDerWaalsContact O-CG 3.31Å; S407-Q411 WeakPolarHBondContact O-CG 3.19Å; S407-Q411 PolarHBondContact O-N 2.8Å; S407-Q411 PolarHBondContact OG-NE2 3.47Å; L408-Q411 PolarHBondContact O-N 3.33Å; Q411-F413 VanDerWaalsContact C-N 3.33Å; Q411-F413 PolarHBondContact O-N 2.93Å; Q411-Q414 PolarHBondContact O-N 3.44Å; Q411-A415 WeakPolarHBondContact O-CB 3.43Å; Q411-A415 PolarHBondContact O-N 2.95Å
412I97.2Very high96Very high0 Ų036.9 Ų36.90%019%0.187CC..Hα-helixtrans-58.2-49.6172.2-67.5166000109.7F286 W377 L408 Q414 A415 I416 V423 L427 L445 L449F286-I412 HydrophobicContact CD2-CG1 4.12Å; F286-I412 HydrophobicContact CE2-CG1 3.54Å; W377-I412 HydrophobicContact CD2-CD1 4.39Å; W377-I412 HydrophobicContact CD2-CG1 4.39Å; W377-I412 HydrophobicContact CE3-CD1 3.54Å; W377-I412 HydrophobicContact CE3-CG1 3.99Å; W377-I412 HydrophobicContact CZ3-CD1 3.65Å; W377-I412 HydrophobicContact CZ3-CG1 4.16Å; L408-I412 HydrophobicContact CD1-CD1 3.61Å; L408-I412 HydrophobicContact CD1-CG1 3.87Å; L408-I412 HydrophobicContact CG-CD1 3.94Å; L408-I412 WeakPolarHBondContact O-CG1 3.26Å; L408-I412 PolarHBondContact O-N 2.9Å; I412-Q414 VanDerWaalsContact C-N 3.31Å; I412-Q414 PolarHBondContact O-N 3.49Å; I412-A415 PolarHBondContact O-N 3.01Å; I412-I416 HydrophobicContact CG2-CD1 3.8Å; I412-I416 HydrophobicContact CG2-CG1 4.42Å; I412-I416 VanDerWaalsContact O-CG1 3.32Å; I412-I416 WeakPolarHBondContact O-CG1 3.46Å; I412-I416 PolarHBondContact O-N 3.34Å; I412-V423 HydrophobicContact CG2-CG1 3.98Å; I412-L427 HydrophobicContact CG2-CD2 3.98Å; I412-L445 HydrophobicContact CB-CD2 3.7Å; I412-L445 HydrophobicContact CD1-CD2 3.99Å; I412-L445 HydrophobicContact CG1-CD2 4.46Å; I412-L445 HydrophobicContact CG2-CD2 3.56Å; I412-L449 HydrophobicContact CD1-CD1 4.02Å
413F96.3Very high95.8Very high30 Ų3036.9 Ų36.913%0.13219%0.188CC..Hα-helixtrans-58.7-43.3179.7175.1-118.7000112C409 N410 Q411 I416 K417 P439 E440C409-F413 WeakPolarHBondContact O-CB 2.85Å; C409-F413 PolarHBondContact O-N 2.87Å; N410-F413 PolarHBondContact O-N 3.4Å; Q411-F413 VanDerWaalsContact C-N 3.33Å; Q411-F413 PolarHBondContact O-N 2.93Å; F413-I416 PolarHBondContact O-N 2.71Å; F413-K417 HydrophobicContact CE1-CD 4.07Å; F413-K417 HydrophobicContact CE2-CD 4.41Å; F413-K417 HydrophobicContact CZ-CD 4.04Å; F413-K417 PolarHBondContact O-N 3.35Å; F413-P439 HydrophobicContact CD2-CG 4.23Å; F413-P439 WeakPolarHBondContact CE2-O 3.34Å; F413-E440 VanDerWaalsContact CE2-C 3.47Å; F413-E440 VanDerWaalsContact CE2-O 3.3Å; F413-E440 WeakPolarHBondContact CE2-O 3.47Å; F413-E440 WeakPolarHBondContact CZ-O 3.44Å
414Q95.3Very high95.7Very high90 Ų9037.4 Ų37.442%0.42119%0.191SC..Hα-helixtrans-66.8-39.5177.1-174.160.715.200112.3N410 Q411 I412 I416 K417 Q418N410-Q414 WeakPolarHBondContact O-CB 3.34Å; N410-Q414 PolarHBondContact O-N 2.62Å; Q411-Q414 PolarHBondContact O-N 3.44Å; I412-Q414 VanDerWaalsContact C-N 3.31Å; I412-Q414 PolarHBondContact O-N 3.49Å; Q414-I416 PolarHBondContact O-N 2.95Å; Q414-K417 WeakPolarHBondContact O-CB 3.02Å; Q414-K417 PolarHBondContact O-N 3.33Å; Q414-Q418 WeakPolarHBondContact O-CG 3.35Å; Q414-Q418 PolarHBondContact O-N 2.92Å
415A95.5Very high95.5Very high4 Ų442.7 Ų42.73%0.03322%0.215CC..Hα-helixtrans-63.7-40.6175.900000111.7F286 Q411 I412 K417 Q418 G419 Y420 V423F286-A415 HydrophobicContact CB-CB 4.14Å; Q411-A415 WeakPolarHBondContact O-CB 3.43Å; Q411-A415 PolarHBondContact O-N 2.95Å; I412-A415 PolarHBondContact O-N 3.01Å; A415-K417 VanDerWaalsContact C-N 3.33Å; A415-K417 PolarHBondContact O-N 3.49Å; A415-Q418 CarbonylContact O-C 3.52Å; A415-Q418 PolarHBondContact O-N 2.97Å; A415-G419 PolarHBondContact O-N 3.16Å; A415-Y420 HydrophobicContact CB-CD2 3.88Å; A415-Y420 HydrophobicContact CB-CG 4.44Å; A415-Y420 VanDerWaalsContact O-CD2 3.31Å; A415-Y420 WeakPolarHBondContact O-CD2 3.21Å; A415-Y420 PolarHBondContact O-N 3.43Å; A415-Y420 VanDerWaalsContact O-N 3.09Å; A415-V423 HydrophobicContact CB-CG1 4.2Å; A415-V423 HydrophobicContact CB-CG2 4.29Å
416I95.2Very high95.3Very high18 Ų1844.3 Ų44.39%0.09222%0.224CC..Hα-helixtrans-62.2-43.2174.8-66.9170.1000110.5I412 F413 Q414 Q418 G419 V423 L427 I438 P439I412-I416 HydrophobicContact CG2-CD1 3.8Å; I412-I416 HydrophobicContact CG2-CG1 4.42Å; I412-I416 VanDerWaalsContact O-CG1 3.32Å; I412-I416 WeakPolarHBondContact O-CG1 3.46Å; I412-I416 PolarHBondContact O-N 3.34Å; F413-I416 PolarHBondContact O-N 2.71Å; Q414-I416 PolarHBondContact O-N 2.95Å; I416-Q418 VanDerWaalsContact C-N 3.27Å; I416-Q418 PolarHBondContact O-N 2.84Å; I416-G419 PolarHBondContact O-N 3.49Å; I416-V423 HydrophobicContact CG1-CG1 4.23Å; I416-L427 HydrophobicContact CD1-CD2 3.49Å; I416-L427 VanDerWaalsContact CD1-CD2 3.49Å; I416-I438 HydrophobicContact CG2-CG2 4.1Å; I416-P439 HydrophobicContact CD1-CG 3.77Å
417K94.3Very high95.2Very high137 Ų13744.3 Ų44.360%0.59622%0.224SC*.Hα-helixtrans-61.6-33.9174.7-79-176166.5175.70113.5F413 Q414 A415 G419F413-K417 HydrophobicContact CE1-CD 4.07Å; F413-K417 HydrophobicContact CE2-CD 4.41Å; F413-K417 HydrophobicContact CZ-CD 4.04Å; F413-K417 PolarHBondContact O-N 3.35Å; Q414-K417 WeakPolarHBondContact O-CB 3.02Å; Q414-K417 PolarHBondContact O-N 3.33Å; A415-K417 VanDerWaalsContact C-N 3.33Å; A415-K417 PolarHBondContact O-N 3.49Å; K417-G419 PolarHBondContact O-N 2.83Å
418Q93.1Very high95Very high119 Ų11945.9 Ų45.956%0.55623%0.229SC*.THydrogen-bonded Turntrans-77.3-4.7176-71.8170.9-12.700113.1Q414 A415 I416 Y420Q414-Q418 WeakPolarHBondContact O-CG 3.35Å; Q414-Q418 PolarHBondContact O-N 2.92Å; A415-Q418 CarbonylContact O-C 3.52Å; A415-Q418 PolarHBondContact O-N 2.97Å; I416-Q418 VanDerWaalsContact C-N 3.27Å; I416-Q418 PolarHBondContact O-N 2.84Å; Q418-Y420 HydrophobicContact CB-CD2 3.9Å; Q418-Y420 HydrophobicContact CB-CE2 3.87Å
419G92.5Very high94.8Very high46 Ų4649.4 Ų49.447%0.47425%0.251SS..THydrogen-bonded Turntrans88.519.2175.500000114.8A415 I416 K417 M421A415-G419 PolarHBondContact O-N 3.16Å; I416-G419 PolarHBondContact O-N 3.49Å; K417-G419 PolarHBondContact O-N 2.83Å; G419-M421 PolarHBondContact O-N 3.48Å
420Y91.9Very high94.7Very high92 Ų9249.6 Ų49.636%0.36125%0.252SS..  trans-70.193.6175.2-72.9-79.4000111.1A415 Q418 S422 V423 T424A415-Y420 HydrophobicContact CB-CD2 3.88Å; A415-Y420 HydrophobicContact CB-CG 4.44Å; A415-Y420 VanDerWaalsContact O-CD2 3.31Å; A415-Y420 WeakPolarHBondContact O-CD2 3.21Å; A415-Y420 PolarHBondContact O-N 3.43Å; A415-Y420 VanDerWaalsContact O-N 3.09Å; Q418-Y420 HydrophobicContact CB-CD2 3.9Å; Q418-Y420 HydrophobicContact CB-CE2 3.87Å; Y420-S422 VanDerWaalsContact C-N 3.33Å; Y420-S422 PolarHBondContact O-N 3.24Å; Y420-V423 PolarHBondContact O-N 2.96Å; Y420-T424 PolarHBondContact O-N 3.14Å; Y420-T424 PolarHBondContact O-OG1 2.89Å
421M91.3Very high94.5Very high137 Ų13748.8 Ų48.868%0.67525%0.247SC*.Hα-helixtrans-62.4-35.1-175-66.6-57.2-63.400113.8G419 T424 H425G419-M421 PolarHBondContact O-N 3.48Å; M421-T424 PolarHBondContact O-N 3.48Å; M421-H425 WeakPolarHBondContact O-CB 3.17Å; M421-H425 PolarHBondContact O-N 2.98Å
422S91.9Very high94.4Very high39 Ų3953.2 Ų53.227%0.27327%0.272SS..Hα-helixtrans-62.6-43.8176.6570000111.7Y420 T424 H425 D426Y420-S422 VanDerWaalsContact C-N 3.33Å; Y420-S422 PolarHBondContact O-N 3.24Å; S422-T424 VanDerWaalsContact C-N 3.34Å; S422-T424 PolarHBondContact O-N 3.28Å; S422-H425 PolarHBondContact O-N 3.46Å; S422-D426 WeakPolarHBondContact O-CB 3.44Å; S422-D426 PolarHBondContact O-N 2.77Å
423V95.4Very high94.2Very high1 Ų156.2 Ų56.21%0.00629%0.286CS..Hα-helixtrans-62.3-44.2177.71790000110.6F286 W377 I412 A415 I416 Y420 H425 L427F286-V423 HydrophobicContact CB-CG2 3.87Å; W377-V423 HydrophobicContact CH2-CG1 4.39Å; W377-V423 HydrophobicContact CZ2-CB 4.44Å; W377-V423 HydrophobicContact CZ2-CG1 3.96Å; I412-V423 HydrophobicContact CG2-CG1 3.98Å; A415-V423 HydrophobicContact CB-CG1 4.2Å; A415-V423 HydrophobicContact CB-CG2 4.29Å; I416-V423 HydrophobicContact CG1-CG1 4.23Å; Y420-V423 PolarHBondContact O-N 2.96Å; V423-H425 VanDerWaalsContact C-N 3.34Å; V423-H425 PolarHBondContact O-N 3.25Å; V423-L427 VanDerWaalsContact O-CB 3.29Å; V423-L427 WeakPolarHBondContact O-CB 3.49Å; V423-L427 PolarHBondContact O-N 3.06Å
424T95.1Very high94Very high10 Ų1058 Ų586%0.06130%0.302CS..Hα-helixtrans-60.3-43.9176.2-56.10000111.7Y420 M421 S422 R428Y420-T424 PolarHBondContact O-N 3.14Å; Y420-T424 PolarHBondContact O-OG1 2.89Å; M421-T424 PolarHBondContact O-N 3.48Å; S422-T424 VanDerWaalsContact C-N 3.34Å; S422-T424 PolarHBondContact O-N 3.28Å; T424-R428 WeakPolarHBondContact O-CD 3.23Å; T424-R428 VanDerWaalsContact O-CG 3.28Å; T424-R428 WeakPolarHBondContact O-CG 3.43Å; T424-R428 PolarHBondContact O-N 3.01Å; T424-R428 VanDerWaalsContact O-N 3.12Å
425H94.6Very high93.8Very high112 Ų11259.9 Ų59.952%0.51932%0.315SS..Hα-helixtrans-66.5-47.6179.3178.970.9000112.4M421 S422 V423 L427 R428 T429M421-H425 WeakPolarHBondContact O-CB 3.17Å; M421-H425 PolarHBondContact O-N 2.98Å; S422-H425 PolarHBondContact O-N 3.46Å; V423-H425 VanDerWaalsContact C-N 3.34Å; V423-H425 PolarHBondContact O-N 3.25Å; H425-L427 VanDerWaalsContact C-N 3.31Å; H425-L427 PolarHBondContact O-N 2.94Å; H425-R428 PolarHBondContact O-N 3.31Å; H425-T429 PolarHBondContact O-N 3.28Å; H425-T429 PolarHBondContact O-OG1 3.15Å
426D95.2Very high93.6Very high34 Ų3468.7 Ų68.718%0.18235%0.353CS..Hα-helixtrans-61.1-43178.4-73.4-8.7000110.4W377 R381 S422 R428 T429 I430W377-D426 HydrophobicContact CH2-CB 3.84Å; W377-D426 HydrophobicContact CZ2-CB 3.76Å; R381-D426 HydrophobicContact CB-CB 4.19Å; R381-D426 WeakPolarHBondContact CD-OD2 3.39Å; R381-D426 IonicContact CZ-OD2 2.75Å; R381-D426 IonicContact NH1-OD2 3.2Å; R381-D426 PolarHBondContact NH1-OD2 3.3Å; S422-D426 WeakPolarHBondContact O-CB 3.44Å; S422-D426 PolarHBondContact O-N 2.77Å; D426-R428 PolarHBondContact O-N 3.05Å; D426-T429 WeakPolarHBondContact O-CB 3.23Å; D426-T429 PolarHBondContact O-N 2.82Å; D426-I430 WeakPolarHBondContact O-CD1 3.23Å; D426-I430 VanDerWaalsContact O-CG1 3.32Å; D426-I430 WeakPolarHBondContact O-CG1 3.38Å; D426-I430 PolarHBondContact O-N 3.41Å
427L95.8Very high93.5Very high1 Ų169.3 Ų69.31%0.00535%0.354CS..Hα-helixtrans-60.8-46177.4177.764.4000112.2W377 I412 I416 V423 H425 T429 I430 L431 Y437 P439 L445 L449W377-L427 HydrophobicContact CH2-CB 4.37Å; I412-L427 HydrophobicContact CG2-CD2 3.98Å; I416-L427 HydrophobicContact CD1-CD2 3.49Å; I416-L427 VanDerWaalsContact CD1-CD2 3.49Å; V423-L427 VanDerWaalsContact O-CB 3.29Å; V423-L427 WeakPolarHBondContact O-CB 3.49Å; V423-L427 PolarHBondContact O-N 3.06Å; H425-L427 VanDerWaalsContact C-N 3.31Å; H425-L427 PolarHBondContact O-N 2.94Å; L427-T429 VanDerWaalsContact C-N 3.26Å; L427-T429 PolarHBondContact O-N 2.8Å; L427-I430 PolarHBondContact O-N 3.35Å; L427-L431 HydrophobicContact CD1-CD1 3.72Å; L427-L431 HydrophobicContact CD1-CG 3.93Å; L427-L431 HydrophobicContact CG-CD1 4.02Å; L427-L431 HydrophobicContact CG-CG 4.45Å; L427-L431 WeakPolarHBondContact O-CB 3.47Å; L427-L431 WeakPolarHBondContact O-CG 3.4Å; L427-L431 PolarHBondContact O-N 3.09Å; L427-Y437 HydrophobicContact CD2-CE1 4.29Å; L427-P439 HydrophobicContact CD2-CG 3.96Å; L427-L445 HydrophobicContact CD1-CD1 3.61Å; L427-L445 HydrophobicContact CD1-CD2 4.49Å; L427-L445 HydrophobicContact CD2-CD1 4.13Å; L427-L445 HydrophobicContact CD2-CD2 4.42Å; L427-L445 HydrophobicContact CG-CD1 4.48Å; L427-L449 HydrophobicContact CD1-CD1 4.49Å
428R95Very high93.5Very high38 Ų3867.8 Ų67.814%0.14335%0.351CS..Hα-helixtrans-62.2-37.8178.2-73.3167.3-179.4172.6-1.4111.7T424 H425 D426 L431 N432 E433 D435 Y437T424-R428 WeakPolarHBondContact O-CD 3.23Å; T424-R428 VanDerWaalsContact O-CG 3.28Å; T424-R428 WeakPolarHBondContact O-CG 3.43Å; T424-R428 PolarHBondContact O-N 3.01Å; T424-R428 VanDerWaalsContact O-N 3.12Å; H425-R428 PolarHBondContact O-N 3.31Å; D426-R428 PolarHBondContact O-N 3.05Å; R428-L431 PolarHBondContact O-N 3.23Å; R428-N432 WeakPolarHBondContact O-CA 3.47Å; R428-N432 PolarHBondContact O-N 3.3Å; R428-E433 PolarHBondContact O-N 3.3Å; R428-D435 VanDerWaalsContact CZ-C 3.44Å; R428-D435 PolarHBondContact NH1-O 2.97Å; R428-D435 PolarHBondContact NH2-O 3.49Å; R428-Y437 HydrophobicContact CG-CD1 4.49Å; R428-Y437 PolarHBondContact NE-O 3.13Å; R428-Y437 PolarHBondContact NH2-O 3.28Å
429T94Very high93.4Very high74 Ų7462.3 Ų62.345%0.45433%0.326SS..Hα-helixtrans-63.9-47.8175.5-570000111.3H425 D426 L427 L431 N432H425-T429 PolarHBondContact O-N 3.28Å; H425-T429 PolarHBondContact O-OG1 3.15Å; D426-T429 WeakPolarHBondContact O-CB 3.23Å; D426-T429 PolarHBondContact O-N 2.82Å; L427-T429 VanDerWaalsContact C-N 3.26Å; L427-T429 PolarHBondContact O-N 2.8Å; T429-L431 VanDerWaalsContact C-N 3.33Å; T429-L431 PolarHBondContact O-N 2.91Å; T429-N432 PolarHBondContact O-N 2.75Å
430I95.1Very high93.4Very high4 Ų467.4 Ų67.42%0.02134%0.337CS..Hα-helixtrans-58.2-45.5177.5-72.4159.3000111.4W377 L380 R381 S385 D426 L427 N432 L449 P546W377-I430 HydrophobicContact CH2-CD1 3.93Å; W377-I430 HydrophobicContact CZ3-CD1 3.66Å; L380-I430 HydrophobicContact CD2-CD1 4.01Å; L380-I430 HydrophobicContact CD2-CG2 4.34Å; L380-I430 HydrophobicContact CG-CD1 3.91Å; L380-I430 HydrophobicContact CG-CG1 4.43Å; L380-I430 HydrophobicContact CG-CG2 4.41Å; R381-I430 HydrophobicContact CB-CD1 3.99Å; S385-I430 WeakPolarHBondContact O-CG2 3.36Å; D426-I430 WeakPolarHBondContact O-CD1 3.23Å; D426-I430 VanDerWaalsContact O-CG1 3.32Å; D426-I430 WeakPolarHBondContact O-CG1 3.38Å; D426-I430 PolarHBondContact O-N 3.41Å; L427-I430 PolarHBondContact O-N 3.35Å; I430-N432 VanDerWaalsContact C-N 3.34Å; I430-L449 HydrophobicContact CG2-CD2 3.84Å; I430-P546 WeakPolarHBondContact O-CG 3.31Å
431L94Very high93.6Very high13 Ų1364.9 Ų64.97%0.06833%0.333CS..Hα-helixtrans-84-7.7-176-64.4-175.8000113.9L427 R428 T429 E433 Y437 L445 R448 L449L427-L431 HydrophobicContact CD1-CD1 3.72Å; L427-L431 HydrophobicContact CD1-CG 3.93Å; L427-L431 HydrophobicContact CG-CD1 4.02Å; L427-L431 HydrophobicContact CG-CG 4.45Å; L427-L431 WeakPolarHBondContact O-CB 3.47Å; L427-L431 WeakPolarHBondContact O-CG 3.4Å; L427-L431 PolarHBondContact O-N 3.09Å; R428-L431 PolarHBondContact O-N 3.23Å; T429-L431 VanDerWaalsContact C-N 3.33Å; T429-L431 PolarHBondContact O-N 2.91Å; L431-E433 VanDerWaalsContact C-N 3.26Å; L431-E433 HydrophobicContact CB-CB 4.25Å; L431-E433 HydrophobicContact CB-CG 3.68Å; L431-E433 PolarHBondContact O-N 2.92Å; L431-Y437 HydrophobicContact CD1-CD1 4.41Å; L431-Y437 HydrophobicContact CD1-CE1 3.58Å; L431-L445 HydrophobicContact CD1-CD1 4.14Å; L431-R448 HydrophobicContact CD1-CB 4.41Å; L431-R448 HydrophobicContact CD2-CB 3.78Å; L431-L449 HydrophobicContact CD2-CD2 3.71Å
432N93.1Very high93.8Very high118 Ų11858.4 Ų58.463%0.63130%0.301SS*.THydrogen-bonded Turntrans49.148-168.9-169.838.3000112.4R428 T429 I430 P546R428-N432 WeakPolarHBondContact O-CA 3.47Å; R428-N432 PolarHBondContact O-N 3.3Å; T429-N432 PolarHBondContact O-N 2.75Å; I430-N432 VanDerWaalsContact C-N 3.34Å; N432-P546 HydrophobicContact CB-CB 4Å; N432-P546 HydrophobicContact CB-CG 3.77Å
433E93.3Very high93.9Very high63 Ų6360 Ų6029%0.29430%0.301SS..  trans-104.6160.7-177.5-78.3-72177.800111.8R428 L431 Y437 R448R428-E433 PolarHBondContact O-N 3.3Å; L431-E433 VanDerWaalsContact C-N 3.26Å; L431-E433 HydrophobicContact CB-CB 4.25Å; L431-E433 HydrophobicContact CB-CG 3.68Å; L431-E433 PolarHBondContact O-N 2.92Å; E433-Y437 HydrophobicContact CB-CD1 3.95Å; E433-Y437 HydrophobicContact CB-CD2 4.37Å; E433-Y437 HydrophobicContact CB-CG 3.73Å; E433-Y437 HydrophobicContact CG-CD1 4.1Å; E433-Y437 HydrophobicContact CG-CD2 4.09Å; E433-Y437 HydrophobicContact CG-CE1 4.47Å; E433-Y437 HydrophobicContact CG-CE2 4.47Å; E433-Y437 HydrophobicContact CG-CG 3.9Å; E433-R448 IonicContact OE1-CZ 2.81Å; E433-R448 VanDerWaalsContact OE1-CZ 3.22Å; E433-R448 IonicContact OE1-NH1 3.08Å; E433-R448 PolarHBondContact OE1-NH1 2.61Å; E433-R448 IonicContact OE1-NH2 3.62Å; E433-R448 PolarHBondContact OE1-NH2 3.13Å
434S93.5Very high93.9Very high68 Ų6862.7 Ų62.748%0.47631%0.314SS..  trans-66161.1179.774.30000113.3K436 Y437S434-K436 PolarHBondContact O-N 2.62Å; S434-K436 PolarHBondContact OG-N 3.47Å; S434-Y437 WeakPolarHBondContact O-CB 3.47Å; S434-Y437 PolarHBondContact O-N 2.91Å
435D90.3Very high94Very high130 Ų13062.2 Ų62.270%0.69531%0.311SS*.THydrogen-bonded Turntrans-61.8-5.3172.9-69.9-34.5000114.8R428R428-D435 VanDerWaalsContact CZ-C 3.44Å; R428-D435 PolarHBondContact NH1-O 2.97Å; R428-D435 PolarHBondContact NH2-O 3.49Å
436K91.6Very high94.1Very high189 Ų18956.9 Ų56.982%0.82229%0.287SS*.THydrogen-bonded Turntrans-99.6-10.7174.8-62.5-177.1-177.3178.20112.8S434 I438S434-K436 PolarHBondContact O-N 2.62Å; S434-K436 PolarHBondContact OG-N 3.47Å; K436-I438 PolarHBondContact O-N 3.34Å
437Y93.5Very high94.2Very high30 Ų3057.6 Ų57.612%0.11829%0.294CS..  trans-66.1130.6-177.5177.5-100.3000111L427 R428 L431 E433 S434 P439L427-Y437 HydrophobicContact CD2-CE1 4.29Å; R428-Y437 HydrophobicContact CG-CD1 4.49Å; R428-Y437 PolarHBondContact NE-O 3.13Å; R428-Y437 PolarHBondContact NH2-O 3.28Å; L431-Y437 HydrophobicContact CD1-CD1 4.41Å; L431-Y437 HydrophobicContact CD1-CE1 3.58Å; E433-Y437 HydrophobicContact CB-CD1 3.95Å; E433-Y437 HydrophobicContact CB-CD2 4.37Å; E433-Y437 HydrophobicContact CB-CG 3.73Å; E433-Y437 HydrophobicContact CG-CD1 4.1Å; E433-Y437 HydrophobicContact CG-CD2 4.09Å; E433-Y437 HydrophobicContact CG-CE1 4.47Å; E433-Y437 HydrophobicContact CG-CE2 4.47Å; E433-Y437 HydrophobicContact CG-CG 3.9Å; S434-Y437 WeakPolarHBondContact O-CB 3.47Å; S434-Y437 PolarHBondContact O-N 2.91Å; Y437-P439 HydrophobicContact CE1-CB 4.47Å
438I92.5Very high94.2Very high106 Ų10661.7 Ų61.754%0.54431%0.31SS..  trans-138.9126.6171.5-61.4179.2000105.7I416 K436I416-I438 HydrophobicContact CG2-CG2 4.1Å; K436-I438 PolarHBondContact O-N 3.34Å
439P92.8Very high94.3Very high4 Ų460 Ų603%0.02630%0.303CS..  trans-65.6142.1175.926.5-32.5000110.7F413 I416 L427 Y437 L445F413-P439 HydrophobicContact CD2-CG 4.23Å; F413-P439 WeakPolarHBondContact CE2-O 3.34Å; I416-P439 HydrophobicContact CD1-CG 3.77Å; L427-P439 HydrophobicContact CD2-CG 3.96Å; Y437-P439 HydrophobicContact CE1-CB 4.47Å; P439-L445 HydrophobicContact CB-CB 4.31Å
440E92.6Very high94.5Very high152 Ų15256.4 Ų56.471%0.7128%0.281SS*.SBendtrans-78-30.5179.1-63172-169.600112.2F413 Q444F413-E440 VanDerWaalsContact CE2-C 3.47Å; F413-E440 VanDerWaalsContact CE2-O 3.3Å; F413-E440 WeakPolarHBondContact CE2-O 3.47Å; F413-E440 WeakPolarHBondContact CZ-O 3.44Å; E440-Q444 VanDerWaalsContact CB-OE1 3.27Å
441S94.7Very high94.6Very high39 Ų3956.5 Ų56.527%0.27328%0.282SS..  trans-159.5162.4178.963.30000111.6R443 Q444 L445S441-R443 PolarHBondContact O-N 2.89Å; S441-Q444 PolarHBondContact O-N 3.04Å; S441-Q444 PolarHBondContact OG-N 3.44Å; S441-Q444 VanDerWaalsContact OG-N 3.09Å; S441-L445 PolarHBondContact O-N 2.92Å
442G95.1Very high94.9Very high1 Ų156 Ų561%0.0128%0.279CS..Hα-helixtrans-61.2-30.9170.100000112.9C409 N410 L445 C446C409-G442 VanDerWaalsContact CB-O 3.27Å; C409-G442 WeakPolarHBondContact CB-O 3.32Å; N410-G442 WeakPolarHBondContact OD1-CA 3.31Å; G442-L445 PolarHBondContact O-N 3.43Å; G442-C446 WeakPolarHBondContact O-CB 3.11Å; G442-C446 PolarHBondContact O-N 3.06Å
443R95.5Very high95.1Very high72 Ų7250.4 Ų50.427%0.27225%0.25SC..Hα-helixtrans-64.5-45.2173.8-170.4-175.4-175.7171.82.3112.7F406 S441 L445 C446 S447 K473 L474 L475 D602 S605F406-R443 HydrophobicContact CE2-CB 4.15Å; S441-R443 PolarHBondContact O-N 2.89Å; R443-L445 VanDerWaalsContact C-N 3.29Å; R443-L445 PolarHBondContact O-N 3.24Å; R443-C446 WeakPolarHBondContact O-CB 3.38Å; R443-C446 PolarHBondContact O-N 2.82Å; R443-S447 PolarHBondContact O-N 2.94Å; R443-K473 PolarHBondContact NH2-O 2.92Å; R443-L474 PolarHBondContact NE-O 3.26Å; R443-L474 PolarHBondContact NH2-O 3.2Å; R443-L475 WeakPolarHBondContact CG-O 3.41Å; R443-D602 IonicContact NH1-OD2 3.58Å; R443-S605 PolarHBondContact NH1-OG 2.93Å; R443-S605 VanDerWaalsContact NH1-OG 3.08Å
444Q95.3Very high95.3Very high59 Ų5947.7 Ų47.728%0.27624%0.237SC..Hα-helixtrans-62.9-41174.6-171.4-164.33000110.4E440 S441 C446 S447E440-Q444 VanDerWaalsContact CB-OE1 3.27Å; S441-Q444 PolarHBondContact O-N 3.04Å; S441-Q444 PolarHBondContact OG-N 3.44Å; S441-Q444 VanDerWaalsContact OG-N 3.09Å; Q444-C446 VanDerWaalsContact C-N 3.33Å; Q444-C446 PolarHBondContact O-N 2.86Å; Q444-S447 WeakPolarHBondContact O-CB 3.33Å; Q444-S447 PolarHBondContact O-N 2.73Å; Q444-S447 PolarHBondContact O-OG 2.85Å
445L96.5Very high95.4Very high0 Ų044.9 Ų44.90%022%0.216CC..Hα-helixtrans-63.9-38.9177.4-178.558000112.2C409 I412 L427 L431 P439 S441 G442 R443 S447 R448 L449C409-L445 HydrophobicContact CB-CB 4.2Å; C409-L445 HydrophobicContact CB-CD2 4.2Å; C409-L445 HydrophobicContact CB-CG 4.16Å; I412-L445 HydrophobicContact CB-CD2 3.7Å; I412-L445 HydrophobicContact CD1-CD2 3.99Å; I412-L445 HydrophobicContact CG1-CD2 4.46Å; I412-L445 HydrophobicContact CG2-CD2 3.56Å; L427-L445 HydrophobicContact CD1-CD1 3.61Å; L427-L445 HydrophobicContact CD1-CD2 4.49Å; L427-L445 HydrophobicContact CD2-CD1 4.13Å; L427-L445 HydrophobicContact CD2-CD2 4.42Å; L427-L445 HydrophobicContact CG-CD1 4.48Å; L431-L445 HydrophobicContact CD1-CD1 4.14Å; P439-L445 HydrophobicContact CB-CB 4.31Å; S441-L445 PolarHBondContact O-N 2.92Å; G442-L445 PolarHBondContact O-N 3.43Å; R443-L445 VanDerWaalsContact C-N 3.29Å; R443-L445 PolarHBondContact O-N 3.24Å; L445-S447 PolarHBondContact O-N 3.12Å; L445-R448 WeakPolarHBondContact O-CB 3.46Å; L445-R448 PolarHBondContact O-N 3.04Å; L445-L449 HydrophobicContact CD1-CD1 3.7Å; L445-L449 HydrophobicContact CD1-CG 3.81Å; L445-L449 HydrophobicContact CD2-CD1 4.18Å; L445-L449 HydrophobicContact CG-CD1 3.77Å; L445-L449 HydrophobicContact CG-CG 4.2Å; L445-L449 PolarHBondContact O-N 3.25Å
446C97.4Very high95.6Very high0 Ų039.7 Ų39.70%019%0.19CC..Hα-helixtrans-56.9-37.4174-169.60000112F406 C409 G442 R443 Q444 R448 L449 L450 L475F406-C446 HydrophobicContact CD2-CB 4.1Å; C409-C446 HydrophobicContact CB-CB 4.33Å; C409-C446 VanDerWaalsContact SG-CA 3.55Å; G442-C446 WeakPolarHBondContact O-CB 3.11Å; G442-C446 PolarHBondContact O-N 3.06Å; R443-C446 WeakPolarHBondContact O-CB 3.38Å; R443-C446 PolarHBondContact O-N 2.82Å; Q444-C446 VanDerWaalsContact C-N 3.33Å; Q444-C446 PolarHBondContact O-N 2.86Å; C446-R448 PolarHBondContact O-N 3.49Å; C446-L449 PolarHBondContact O-N 2.94Å; C446-L450 WeakPolarHBondContact O-CB 3.43Å; C446-L450 PolarHBondContact O-N 3.48Å; C446-L475 WeakPolarHBondContact CB-O 3.49Å; C446-L475 PolarHBondContact SG-O 2.81Å
447S95.9Very high95.6Very high49 Ų4931.2 Ų31.234%0.34316%0.155SC..Hα-helixtrans-63.6-23.4175.780.30000114.5R443 Q444 L445 G476R443-S447 PolarHBondContact O-N 2.94Å; Q444-S447 WeakPolarHBondContact O-CB 3.33Å; Q444-S447 PolarHBondContact O-N 2.73Å; Q444-S447 PolarHBondContact O-OG 2.85Å; L445-S447 PolarHBondContact O-N 3.12Å; S447-G476 WeakPolarHBondContact CA-O 3.26Å; S447-G476 WeakPolarHBondContact CB-O 3.29Å; S447-G476 PolarHBondContact N-O 3.16Å
448R95.6Very high95.2Very high87 Ų8735.3 Ų35.333%0.32818%0.175SC..Hα-helixtrans-94.9-32.8-180-63.1-67.3-65-99.7-3.7112.3L431 E433 L445 C446L431-R448 HydrophobicContact CD1-CB 4.41Å; L431-R448 HydrophobicContact CD2-CB 3.78Å; E433-R448 IonicContact OE1-CZ 2.81Å; E433-R448 VanDerWaalsContact OE1-CZ 3.22Å; E433-R448 IonicContact OE1-NH1 3.08Å; E433-R448 PolarHBondContact OE1-NH1 2.61Å; E433-R448 IonicContact OE1-NH2 3.62Å; E433-R448 PolarHBondContact OE1-NH2 3.13Å; L445-R448 WeakPolarHBondContact O-CB 3.46Å; L445-R448 PolarHBondContact O-N 3.04Å; C446-R448 PolarHBondContact O-N 3.49Å
449L97.5Very high94.8Very high1 Ų130.6 Ų30.61%0.00515%0.151CC..Hα-helixtrans-98.8-23-174-66.9-175.1000114.4L380 G387 F388 I412 L427 I430 L431 L445 C446L380-L449 HydrophobicContact CD2-CD1 4.35Å; L380-L449 HydrophobicContact CD2-CD2 4.1Å; G387-L449 CarbonylContact C-O 3.24Å; G387-L449 VanDerWaalsContact CA-O 3.27Å; G387-L449 WeakPolarHBondContact CA-O 3.27Å; F388-L449 PolarHBondContact N-O 3.4Å; I412-L449 HydrophobicContact CD1-CD1 4.02Å; L427-L449 HydrophobicContact CD1-CD1 4.49Å; I430-L449 HydrophobicContact CG2-CD2 3.84Å; L431-L449 HydrophobicContact CD2-CD2 3.71Å; L445-L449 HydrophobicContact CD1-CD1 3.7Å; L445-L449 HydrophobicContact CD1-CG 3.81Å; L445-L449 HydrophobicContact CD2-CD1 4.18Å; L445-L449 HydrophobicContact CG-CD1 3.77Å; L445-L449 HydrophobicContact CG-CG 4.2Å; L445-L449 PolarHBondContact O-N 3.25Å; C446-L449 PolarHBondContact O-N 2.94Å
450L98.5Very high94.5Very high0 Ų031.6 Ų31.60%016%0.158CC..EExtended strand (participates in β ladder)trans-120.1118-175.3-177.259.8000111.3F388 L390 V405 C446 T452 S477 N478F388-L450 HydrophobicContact CB-CD1 4.08Å; L390-L450 HydrophobicContact CB-CD1 4.21Å; V405-L450 HydrophobicContact CB-CD1 4.48Å; V405-L450 HydrophobicContact CB-CD2 4.08Å; V405-L450 HydrophobicContact CG1-CB 3.86Å; V405-L450 HydrophobicContact CG1-CD1 4.15Å; V405-L450 HydrophobicContact CG1-CD2 3.96Å; V405-L450 HydrophobicContact CG1-CG 4.18Å; V405-L450 HydrophobicContact CG2-CD1 4.4Å; C446-L450 WeakPolarHBondContact O-CB 3.43Å; C446-L450 PolarHBondContact O-N 3.48Å; L450-T452 HydrophobicContact CD1-CG2 4.2Å; L450-T452 HydrophobicContact CD2-CG2 3.95Å; L450-T452 HydrophobicContact CG-CG2 3.89Å; L450-S477 WeakPolarHBondContact O-CA 3.37Å; L450-S477 WeakPolarHBondContact O-CB 3.33Å; L450-N478 PolarHBondContact O-N 3.47Å
451T98.6Very high94.1Very high6 Ų624.9 Ų24.94%0.03713%0.128CC..EExtended strand (participates in β ladder)trans-102.8124.4164.6-54.90000109.4F388 F389 L390 N478 L480 I539 W543F388-T451 PolarHBondContact O-N 2.94Å; F389-T451 CarbonylContact C-O 3.57Å; F389-T451 WeakPolarHBondContact CA-O 3.35Å; F389-T451 HydrophobicContact CD2-CG2 4.08Å; F389-T451 HydrophobicContact CE2-CG2 4.3Å; L390-T451 PolarHBondContact N-O 2.95Å; T451-N478 CarbonylContact C-O 3.56Å; T451-N478 WeakPolarHBondContact CA-O 3.22Å; T451-N478 WeakPolarHBondContact CG2-O 3.04Å; T451-L480 HydrophobicContact CG2-CD1 3.98Å; T451-L480 HydrophobicContact CG2-CG 4.33Å; T451-I539 HydrophobicContact CG2-CD1 3.76Å; T451-W543 HydrophobicContact CG2-CH2 3.86Å; T451-W543 HydrophobicContact CG2-CZ3 4.25Å; T451-W543 WeakPolarHBondContact OG1-CZ3 3.5Å
452T98.7Very high93.7Very high1 Ų128.8 Ų28.81%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-111.1146.317653.20000110.3L390 L392 L450 S477 N478 H479 L480L390-T452 HydrophobicContact CB-CG2 4.4Å; L390-T452 HydrophobicContact CD2-CG2 4.46Å; L390-T452 CarbonylContact O-C 3.6Å; L390-T452 VanDerWaalsContact O-CA 3.29Å; L390-T452 WeakPolarHBondContact O-CA 3.43Å; L392-T452 HydrophobicContact CB-CG2 4.36Å; L392-T452 HydrophobicContact CD2-CG2 4.3Å; L450-T452 HydrophobicContact CD1-CG2 4.2Å; L450-T452 HydrophobicContact CD2-CG2 3.95Å; L450-T452 HydrophobicContact CG-CG2 3.89Å; T452-S477 PolarHBondContact OG1-OG 2.92Å; T452-N478 PolarHBondContact N-O 3.05Å; T452-H479 CarbonylContact O-C 3.29Å; T452-H479 WeakPolarHBondContact O-CA 3.23Å; T452-H479 PolarHBondContact OG1-ND1 3.11Å; T452-L480 PolarHBondContact O-N 3.11Å
453C98.3Very high93.5Very high1 Ų133.7 Ų33.71%0.00718%0.176CC..EExtended strand (participates in β ladder)trans-135.1121.6176.2-173.20000111.7F389 L390 C391 L392 M455 L480F389-C453 HydrophobicContact CE1-CB 4.3Å; F389-C453 HydrophobicContact CE2-CB 4.03Å; F389-C453 HydrophobicContact CZ-CB 3.5Å; F389-C453 VanDerWaalsContact CZ-CB 3.5Å; L390-C453 PolarHBondContact O-N 2.97Å; C391-C453 CarbonylContact C-O 3.58Å; C391-C453 WeakPolarHBondContact CA-O 3.49Å; L392-C453 PolarHBondContact N-O 3.03Å; C453-M455 HydrophobicContact CB-CE 4.26Å; C453-L480 CarbonylContact C-O 3.54Å; C453-L480 VanDerWaalsContact CA-O 3.25Å; C453-L480 WeakPolarHBondContact CA-O 3.31Å; C453-L480 HydrophobicContact CB-CB 4.28Å
454F97.5Very high93.2Very high7 Ų730.6 Ų30.63%0.03117%0.165CC..EExtended strand (participates in β ladder)trans-86.4113.1167.6-176.1-96.4000109.5L392 R465 A468 L480 E481 S482L392-F454 WeakPolarHBondContact O-CA 3.37Å; L392-F454 VanDerWaalsContact O-CD2 3.24Å; L392-F454 WeakPolarHBondContact O-CD2 3.28Å; F454-R465 HydrophobicContact CD1-CB 4.18Å; F454-R465 HydrophobicContact CD1-CG 3.85Å; F454-R465 HydrophobicContact CE1-CB 3.53Å; F454-R465 HydrophobicContact CE1-CG 3.65Å; F454-R465 HydrophobicContact CE2-CB 4.3Å; F454-R465 HydrophobicContact CZ-CB 3.63Å; F454-R465 HydrophobicContact CZ-CG 4.24Å; F454-A468 HydrophobicContact CB-CB 4.35Å; F454-A468 HydrophobicContact CD2-CB 3.59Å; F454-A468 HydrophobicContact CE2-CB 4.3Å; F454-A468 HydrophobicContact CG-CB 4.27Å; F454-L480 PolarHBondContact N-O 2.77Å; F454-E481 HydrophobicContact CB-CG 4.46Å; F454-E481 WeakPolarHBondContact O-CA 3.38Å; F454-S482 PolarHBondContact O-N 2.75Å
455M96.1Very high93.1Very high9 Ų933 Ų334%0.04417%0.172CC..EExtended strand (participates in β ladder)trans-101.687.7-179.4-66.4177.3-177.300110.5F389 C453 S482 I484 R528 A532 L535F389-M455 HydrophobicContact CE1-CE 4.15Å; F389-M455 HydrophobicContact CZ-CE 3.96Å; C453-M455 HydrophobicContact CB-CE 4.26Å; M455-S482 CarbonylContact C-O 3.6Å; M455-S482 WeakPolarHBondContact CA-O 3.41Å; M455-I484 HydrophobicContact CB-CG2 4.22Å; M455-R528 HydrophobicContact CB-CG 3.91Å; M455-R528 PolarHBondContact O-NE 2.94Å; M455-R528 HydrophobicContact SD-CB 3.73Å; M455-R528 HydrophobicContact SD-CG 4.1Å; M455-R528 VanDerWaalsContact SD-O 3.33Å; M455-A532 HydrophobicContact CE-CB 3.94Å; M455-L535 HydrophobicContact CE-CD1 3.9Å
456S93.9Very high93.1Very high21 Ų2135.2 Ų35.215%0.14719%0.187CC..EExtended strand (participates in β ladder)trans-68.2154.9-179.765.20000112.6S482 D483 I484S456-S482 PolarHBondContact N-O 2.83Å; S456-S482 PolarHBondContact OG-O 2.73Å; S456-D483 WeakPolarHBondContact OG-CA 3.26Å; S456-I484 WeakPolarHBondContact O-CG1 3.4Å; S456-I484 PolarHBondContact O-N 2.98Å
457S90.9Very high93Very high11 Ų1136.3 Ų36.38%0.07719%0.191CC..  trans-132.9172.3168.263.50000109.1N459 S460 T485 Q524 R528S457-N459 PolarHBondContact O-N 3.04Å; S457-N459 PolarHBondContact OG-N 3.06Å; S457-S460 PolarHBondContact N-OG 2.91Å; S457-S460 WeakPolarHBondContact O-CB 3.42Å; S457-S460 PolarHBondContact O-N 3.13Å; S457-S460 PolarHBondContact O-OG 2.68Å; S457-S460 PolarHBondContact OG-OG 2.8Å; S457-T485 WeakPolarHBondContact CA-OG1 3.48Å; S457-Q524 PolarHBondContact OG-OE1 2.93Å; S457-R528 PolarHBondContact OG-NH2 2.99Å
458E85.8Confident93Very high115 Ų11534 Ų3454%0.53718%0.175SC..THydrogen-bonded Turntrans-55.4-18.8172.464.8-172.5-17700114.3T485 K489E458-T485 HydrophobicContact CB-CG2 4.17Å; E458-T485 PolarHBondContact N-OG1 2.72Å; E458-K489 IonicContact OE2-NZ 3.76Å
459N84.1Confident93.1Very high7 Ų732.2 Ų32.24%0.03717%0.172CC..THydrogen-bonded Turntrans-96.6-6.7-179.6-57-49.3000113.8S457 Q524 E624 P627S457-N459 PolarHBondContact O-N 3.04Å; S457-N459 PolarHBondContact OG-N 3.06Å; N459-Q524 PolarHBondContact ND2-OE1 3.08Å; N459-E624 WeakPolarHBondContact CB-O 3.44Å; N459-P627 VanDerWaalsContact OD1-CA 3.25Å; N459-P627 WeakPolarHBondContact OD1-CA 3.2Å
460S85.6Confident93.1Very high26 Ų2635.5 Ų35.518%0.18218%0.184CC..  trans-76134-174-62.10000111.9S457 E624S457-S460 PolarHBondContact N-OG 2.91Å; S457-S460 WeakPolarHBondContact O-CB 3.42Å; S457-S460 PolarHBondContact O-N 3.13Å; S457-S460 PolarHBondContact O-OG 2.68Å; S457-S460 PolarHBondContact OG-OG 2.8Å; S460-E624 WeakPolarHBondContact CA-OE2 3.37Å
461S84.5Confident93.1Very high11 Ų1135.5 Ų35.58%0.07718%0.184CC..  trans-77154179.875.90000112.3L463 T464 R465 E624S461-L463 PolarHBondContact O-N 2.99Å; S461-T464 PolarHBondContact O-OG1 3.03Å; S461-T464 VanDerWaalsContact O-OG1 3.07Å; S461-T464 PolarHBondContact OG-N 2.64Å; S461-T464 PolarHBondContact OG-OG1 3.42Å; S461-T464 VanDerWaalsContact OG-OG1 3.08Å; S461-R465 PolarHBondContact O-N 2.76Å; S461-E624 WeakPolarHBondContact CB-OE1 3.26Å; S461-E624 PolarHBondContact N-OE2 2.76Å; S461-E624 PolarHBondContact OG-OE1 3.04Å
462T87Confident93.1Very high121 Ų12135.2 Ų35.274%0.74218%0.182SC*.Hα-helixtrans-65.2-26.3172.651.60000111.7S466T462-S466 VanDerWaalsContact O-CB 3.23Å; T462-S466 WeakPolarHBondContact O-CB 3.33Å; T462-S466 PolarHBondContact O-N 2.81Å
463L89.5Confident93Very high103 Ų10342.5 Ų42.554%0.53921%0.214SC..Hα-helixtrans-71.2-50.4-179.8-67.6172.9000112.1S461 R465 S466 R467S461-L463 PolarHBondContact O-N 2.99Å; L463-R465 VanDerWaalsContact C-N 3.33Å; L463-R465 PolarHBondContact O-N 3.1Å; L463-S466 WeakPolarHBondContact O-CB 3.21Å; L463-S466 PolarHBondContact O-N 3.42Å; L463-R467 WeakPolarHBondContact O-CG 3.41Å; L463-R467 PolarHBondContact O-N 3.1Å
464T90.2Very high93Very high8 Ų842.7 Ų42.75%0.04922%0.215CC..Hα-helixtrans-60.2-44.3177.145.80000111.4S461 S466 R467 A468 E624S461-T464 PolarHBondContact O-OG1 3.03Å; S461-T464 VanDerWaalsContact O-OG1 3.07Å; S461-T464 PolarHBondContact OG-N 2.64Å; S461-T464 PolarHBondContact OG-OG1 3.42Å; S461-T464 VanDerWaalsContact OG-OG1 3.08Å; T464-S466 VanDerWaalsContact C-N 3.35Å; T464-S466 PolarHBondContact O-N 3.07Å; T464-R467 VanDerWaalsContact CG2-NH2 3.28Å; T464-R467 PolarHBondContact O-N 2.94Å; T464-A468 WeakPolarHBondContact O-CB 3.3Å; T464-A468 PolarHBondContact O-N 3.01Å; T464-E624 VanDerWaalsContact CG2-CD 3.43Å; T464-E624 HydrophobicContact CG2-CG 4.49Å; T464-E624 WeakPolarHBondContact CG2-OE1 3.37Å; T464-E624 PolarHBondContact OG1-OE1 2.93Å; T464-E624 PolarHBondContact OG1-OE2 2.89Å
465R93.4Very high92.9Very high110 Ų11042.4 Ų42.442%0.41521%0.214SC..Hα-helixtrans-57.4-46.6173.8-174.4174.7178.7-176.3-0.7112F454 S461 L463 A468 N469 E481F454-R465 HydrophobicContact CD1-CB 4.18Å; F454-R465 HydrophobicContact CD1-CG 3.85Å; F454-R465 HydrophobicContact CE1-CB 3.53Å; F454-R465 HydrophobicContact CE1-CG 3.65Å; F454-R465 HydrophobicContact CE2-CB 4.3Å; F454-R465 HydrophobicContact CZ-CB 3.63Å; F454-R465 HydrophobicContact CZ-CG 4.24Å; S461-R465 PolarHBondContact O-N 2.76Å; L463-R465 VanDerWaalsContact C-N 3.33Å; L463-R465 PolarHBondContact O-N 3.1Å; R465-A468 PolarHBondContact O-N 2.85Å; R465-N469 WeakPolarHBondContact O-CB 3.46Å; R465-N469 PolarHBondContact O-N 3.36Å; R465-N469 PolarHBondContact O-ND2 3.25Å; R465-N469 VanDerWaalsContact O-ND2 3.11Å; R465-E481 IonicContact CZ-OE1 3.52Å; R465-E481 IonicContact CZ-OE2 3.45Å; R465-E481 IonicContact NE-OE1 3.97Å; R465-E481 PolarHBondContact NE-OE1 3.03Å; R465-E481 IonicContact NE-OE2 3.47Å; R465-E481 PolarHBondContact NE-OE2 2.83Å; R465-E481 IonicContact NH2-OE1 2.79Å; R465-E481 IonicContact NH2-OE2 2.65Å; R465-E481 PolarHBondContact NH2-OE2 3.21Å
466S95.4Very high93Very high46 Ų4642.7 Ų42.732%0.32222%0.219SC..Hα-helixtrans-62.3-43.3178177.20000112.3T462 L463 T464 R470T462-S466 VanDerWaalsContact O-CB 3.23Å; T462-S466 WeakPolarHBondContact O-CB 3.33Å; T462-S466 PolarHBondContact O-N 2.81Å; L463-S466 WeakPolarHBondContact O-CB 3.21Å; L463-S466 PolarHBondContact O-N 3.42Å; T464-S466 VanDerWaalsContact C-N 3.35Å; T464-S466 PolarHBondContact O-N 3.07Å; S466-R470 WeakPolarHBondContact O-CB 3.49Å; S466-R470 WeakPolarHBondContact O-CG 3.14Å; S466-R470 PolarHBondContact O-N 2.92Å; S466-R470 PolarHBondContact O-NE 3.46Å; S466-R470 PolarHBondContact OG-NE 3.46Å; S466-R470 PolarHBondContact OG-NH2 3.15Å
467R95.6Very high93.1Very high22 Ų2242.1 Ų42.18%0.08322%0.215CC..Hα-helixtrans-62.4-47.5176.8-70.2-170.2-57.2-120.82.5111.6G394 L463 T464 R470 L471 E615 I616 A619G394-R467 PolarHBondContact O-NE 2.85Å; L463-R467 WeakPolarHBondContact O-CG 3.41Å; L463-R467 PolarHBondContact O-N 3.1Å; T464-R467 VanDerWaalsContact CG2-NH2 3.28Å; T464-R467 PolarHBondContact O-N 2.94Å; R467-R470 PolarHBondContact O-N 3.32Å; R467-L471 VanDerWaalsContact O-CB 3.24Å; R467-L471 WeakPolarHBondContact O-CB 3.26Å; R467-L471 PolarHBondContact O-N 2.96Å; R467-E615 WeakPolarHBondContact CD-OE1 3.49Å; R467-E615 VanDerWaalsContact CG-OE1 3.27Å; R467-E615 WeakPolarHBondContact CG-OE1 3.43Å; R467-I616 HydrophobicContact CB-CD1 4.43Å; R467-I616 HydrophobicContact CB-CG1 4.09Å; R467-I616 HydrophobicContact CG-CG1 4.23Å; R467-A619 VanDerWaalsContact NH1-CB 3.32Å
468A96.6Very high93.4Very high0 Ų044.3 Ų44.30%023%0.226CC..Hα-helixtrans-58.9-49.8178.200000111.8L392 F454 T464 R465 L471 A472L392-A468 HydrophobicContact CD2-CB 4.09Å; L392-A468 WeakPolarHBondContact CD2-O 3.33Å; L392-A468 HydrophobicContact CG-CB 4.06Å; F454-A468 HydrophobicContact CB-CB 4.35Å; F454-A468 HydrophobicContact CD2-CB 3.59Å; F454-A468 HydrophobicContact CE2-CB 4.3Å; F454-A468 HydrophobicContact CG-CB 4.27Å; T464-A468 WeakPolarHBondContact O-CB 3.3Å; T464-A468 PolarHBondContact O-N 3.01Å; R465-A468 PolarHBondContact O-N 2.85Å; A468-L471 PolarHBondContact O-N 3.25Å; A468-A472 VanDerWaalsContact O-CB 3.28Å; A468-A472 WeakPolarHBondContact O-CB 3.3Å; A468-A472 PolarHBondContact O-N 2.96Å
469N97.5Very high94Very high51 Ų5140.9 Ų40.927%0.27321%0.21SC..Hα-helixtrans-59.6-50178.9-84-45.6000113R465 A472 K473 H479 E481R465-N469 WeakPolarHBondContact O-CB 3.46Å; R465-N469 PolarHBondContact O-N 3.36Å; R465-N469 PolarHBondContact O-ND2 3.25Å; R465-N469 VanDerWaalsContact O-ND2 3.11Å; N469-A472 PolarHBondContact O-N 3.36Å; N469-K473 WeakPolarHBondContact O-CB 3.06Å; N469-K473 PolarHBondContact O-N 2.63Å; N469-H479 PolarHBondContact OD1-CD2 3.27Å; N469-H479 PolarHBondContact OD1-NE2 3.11Å; N469-E481 PolarHBondContact ND2-OE1 3.03Å; N469-E481 PolarHBondContact OD1-OE1 3.44Å
470R97.7Very high94.6Very high69 Ų6942.9 Ų42.926%0.2622%0.22SC..Hα-helixtrans-62.6-47.1-179.1-75.2-179.1-71.4157.81.4110.9S466 R467 A472 K473 L474 V612 E615S466-R470 WeakPolarHBondContact O-CB 3.49Å; S466-R470 WeakPolarHBondContact O-CG 3.14Å; S466-R470 PolarHBondContact O-N 2.92Å; S466-R470 PolarHBondContact O-NE 3.46Å; S466-R470 PolarHBondContact OG-NE 3.46Å; S466-R470 PolarHBondContact OG-NH2 3.15Å; R467-R470 PolarHBondContact O-N 3.32Å; R470-A472 PolarHBondContact O-N 2.83Å; R470-K473 PolarHBondContact O-N 3.08Å; R470-L474 WeakPolarHBondContact O-CB 3.2Å; R470-L474 WeakPolarHBondContact O-CD1 3.41Å; R470-L474 VanDerWaalsContact O-CG 3.24Å; R470-L474 WeakPolarHBondContact O-CG 3.16Å; R470-L474 PolarHBondContact O-N 3.29Å; R470-V612 HydrophobicContact CB-CG1 4.43Å; R470-V612 HydrophobicContact CB-CG2 3.96Å; R470-E615 IonicContact CZ-OE1 2.8Å; R470-E615 IonicContact CZ-OE2 2.83Å; R470-E615 IonicContact NH1-OE2 3.87Å; R470-E615 PolarHBondContact NH1-OE2 3.42Å; R470-E615 IonicContact NH2-OE1 3.89Å; R470-E615 PolarHBondContact NH2-OE1 2.95Å; R470-E615 IonicContact NH2-OE2 2.74Å; R470-E615 PolarHBondContact NH2-OE2 3.02Å
471L98.1Very high95.1Very high0 Ų045.5 Ų45.50%023%0.229CC..Hα-helixtrans-58.7-51.1177.6178.765.5000111.4L392 T399 R467 A468 K473 L474 L475 L609 V612 L613 I616L392-L471 HydrophobicContact CD1-CD2 4.23Å; L392-L471 HydrophobicContact CD2-CD2 4.47Å; T399-L471 HydrophobicContact CG2-CD2 3.55Å; T399-L471 VanDerWaalsContact OG1-CD2 3.26Å; T399-L471 WeakPolarHBondContact OG1-CD2 3.28Å; R467-L471 VanDerWaalsContact O-CB 3.24Å; R467-L471 WeakPolarHBondContact O-CB 3.26Å; R467-L471 PolarHBondContact O-N 2.96Å; A468-L471 PolarHBondContact O-N 3.25Å; L471-K473 VanDerWaalsContact C-N 3.29Å; L471-K473 PolarHBondContact O-N 2.79Å; L471-L474 PolarHBondContact O-N 3.31Å; L471-L474 VanDerWaalsContact O-N 3.12Å; L471-L475 HydrophobicContact CD1-CD1 3.92Å; L471-L475 HydrophobicContact CD1-CD2 4.35Å; L471-L475 HydrophobicContact CD1-CG 3.95Å; L471-L475 HydrophobicContact CG-CD1 3.98Å; L471-L475 HydrophobicContact CG-CG 4.3Å; L471-L475 WeakPolarHBondContact O-CG 3.49Å; L471-L475 PolarHBondContact O-N 3.46Å; L471-L609 HydrophobicContact CD1-CD1 3.84Å; L471-V612 HydrophobicContact CB-CG1 4.04Å; L471-L613 HydrophobicContact CD1-CD2 3.82Å; L471-L613 HydrophobicContact CD1-CG 4.49Å; L471-I616 HydrophobicContact CB-CD1 4.48Å; L471-I616 HydrophobicContact CD2-CD1 4.01Å
472A98.1Very high95.6Very high0 Ų047 Ų470%024%0.24CC..Hα-helixtrans-58.3-42.3-178.500000112.2L392 A468 N469 R470 G476 S477 H479L392-A472 HydrophobicContact CD2-CB 3.94Å; A468-A472 VanDerWaalsContact O-CB 3.28Å; A468-A472 WeakPolarHBondContact O-CB 3.3Å; A468-A472 PolarHBondContact O-N 2.96Å; N469-A472 PolarHBondContact O-N 3.36Å; R470-A472 PolarHBondContact O-N 2.83Å; A472-G476 PolarHBondContact O-N 2.78Å; A472-S477 WeakPolarHBondContact CA-OG 3.21Å; A472-S477 WeakPolarHBondContact CB-OG 3.17Å; A472-S477 PolarHBondContact O-N 2.91Å; A472-S477 PolarHBondContact O-OG 3.42Å; A472-H479 HydrophobicContact CB-CB 3.69Å; A472-H479 VanDerWaalsContact CB-CG 3.44Å; A472-H479 VanDerWaalsContact CB-ND1 3.32Å; A472-H479 WeakPolarHBondContact CB-ND1 3.42Å
473K97.3Very high96Very high155 Ų15544.9 Ų44.967%0.67422%0.224SC*.Hα-helixtrans-64.3-40.4175.9-175.9-178.7178.7-174.60112.7R443 N469 R470 L471 G476R443-K473 PolarHBondContact NH2-O 2.92Å; N469-K473 WeakPolarHBondContact O-CB 3.06Å; N469-K473 PolarHBondContact O-N 2.63Å; R470-K473 PolarHBondContact O-N 3.08Å; L471-K473 VanDerWaalsContact C-N 3.29Å; L471-K473 PolarHBondContact O-N 2.79Å; K473-G476 PolarHBondContact O-N 2.6Å
474L97.3Very high96.3Very high4 Ų440 Ų402%0.02120%0.198CC..Hα-helixtrans-70.3-44.8-179.7-70.8160.8000111.5R443 R470 L471 G476 M601 E608 L609 V612R443-L474 PolarHBondContact NE-O 3.26Å; R443-L474 PolarHBondContact NH2-O 3.2Å; R470-L474 WeakPolarHBondContact O-CB 3.2Å; R470-L474 WeakPolarHBondContact O-CD1 3.41Å; R470-L474 VanDerWaalsContact O-CG 3.24Å; R470-L474 WeakPolarHBondContact O-CG 3.16Å; R470-L474 PolarHBondContact O-N 3.29Å; L471-L474 PolarHBondContact O-N 3.31Å; L471-L474 VanDerWaalsContact O-N 3.12Å; L474-G476 PolarHBondContact O-N 2.95Å; L474-M601 WeakPolarHBondContact O-CE 3.49Å; L474-E608 HydrophobicContact CD1-CB 4.31Å; L474-E608 HydrophobicContact CD1-CG 3.9Å; L474-E608 HydrophobicContact CD2-CB 3.93Å; L474-E608 HydrophobicContact CD2-CG 4.03Å; L474-L609 HydrophobicContact CB-CB 4.33Å; L474-L609 HydrophobicContact CB-CD1 3.96Å; L474-L609 HydrophobicContact CD1-CB 4.39Å; L474-V612 HydrophobicContact CD1-CB 4.27Å; L474-V612 HydrophobicContact CD1-CG2 3.82Å
475L97.2Very high96.6Very high1 Ų140.2 Ų40.21%0.00520%0.2CC..Hα-helixtrans-65.9-24.1173.8-61.3-177.1000112.7A402 F406 R443 C446 L471 L609A402-L475 HydrophobicContact CB-CD1 3.71Å; F406-L475 HydrophobicContact CB-CD2 3.99Å; F406-L475 HydrophobicContact CD1-CD2 3.96Å; F406-L475 HydrophobicContact CD2-CB 4.2Å; F406-L475 HydrophobicContact CD2-CD2 4.04Å; F406-L475 HydrophobicContact CE1-CD2 4.41Å; F406-L475 HydrophobicContact CE2-CD2 4.49Å; F406-L475 WeakPolarHBondContact CE2-O 3.39Å; F406-L475 HydrophobicContact CG-CD2 3.73Å; R443-L475 WeakPolarHBondContact CG-O 3.41Å; C446-L475 WeakPolarHBondContact CB-O 3.49Å; C446-L475 PolarHBondContact SG-O 2.81Å; L471-L475 HydrophobicContact CD1-CD1 3.92Å; L471-L475 HydrophobicContact CD1-CD2 4.35Å; L471-L475 HydrophobicContact CD1-CG 3.95Å; L471-L475 HydrophobicContact CG-CD1 3.98Å; L471-L475 HydrophobicContact CG-CG 4.3Å; L471-L475 WeakPolarHBondContact O-CG 3.49Å; L471-L475 PolarHBondContact O-N 3.46Å; L475-L609 HydrophobicContact CD2-CD1 3.96Å; L475-L609 HydrophobicContact CD2-CD2 4.24Å
476G96.4Very high96.7Very high15 Ų1538.6 Ų38.616%0.15520%0.204CC..THydrogen-bonded Turntrans86.611.1-17900000114.2S447 A472 K473 L474S447-G476 WeakPolarHBondContact CA-O 3.26Å; S447-G476 WeakPolarHBondContact CB-O 3.29Å; S447-G476 PolarHBondContact N-O 3.16Å; A472-G476 PolarHBondContact O-N 2.78Å; K473-G476 PolarHBondContact O-N 2.6Å; L474-G476 PolarHBondContact O-N 2.95Å
477S97.7Very high96.7Very high10 Ų1040.1 Ų40.17%0.0721%0.208CC..  trans-63.8151.9177.468.40000111.6L450 T452 A472 H479L450-S477 WeakPolarHBondContact O-CA 3.37Å; L450-S477 WeakPolarHBondContact O-CB 3.33Å; T452-S477 PolarHBondContact OG1-OG 2.92Å; A472-S477 WeakPolarHBondContact CA-OG 3.21Å; A472-S477 WeakPolarHBondContact CB-OG 3.17Å; A472-S477 PolarHBondContact O-N 2.91Å; A472-S477 PolarHBondContact O-OG 3.42Å; S477-H479 PolarHBondContact O-N 3.47Å; S477-H479 VanDerWaalsContact O-N 3.08Å
478N96.2Very high96.8Very high56 Ų5639.8 Ų39.830%0.29921%0.208SC..EExtended strand (participates in β ladder)trans-72.4103.1170.8-163.6-11.3000109.5L450 T451 T452 W543L450-N478 PolarHBondContact O-N 3.47Å; T451-N478 CarbonylContact C-O 3.56Å; T451-N478 WeakPolarHBondContact CA-O 3.22Å; T451-N478 WeakPolarHBondContact CG2-O 3.04Å; T452-N478 PolarHBondContact N-O 3.05Å; N478-W543 HydrophobicContact CB-CH2 4.1Å; N478-W543 HydrophobicContact CB-CZ3 4.25Å; N478-W543 WeakPolarHBondContact ND2-CH2 3.35Å; N478-W543 VanDerWaalsContact ND2-CZ2 3.25Å; N478-W543 WeakPolarHBondContact ND2-CZ2 3.44Å; N478-W543 WeakPolarHBondContact ND2-CZ3 3.41Å
479H97.9Very high96.7Very high43 Ų4345.4 Ų45.420%0.19923%0.232CC..EExtended strand (participates in β ladder)trans-97.1130.8-171.1-164.558.2000112.2T452 N469 A472 S477T452-H479 CarbonylContact O-C 3.29Å; T452-H479 WeakPolarHBondContact O-CA 3.23Å; T452-H479 PolarHBondContact OG1-ND1 3.11Å; N469-H479 PolarHBondContact OD1-CD2 3.27Å; N469-H479 PolarHBondContact OD1-NE2 3.11Å; A472-H479 HydrophobicContact CB-CB 3.69Å; A472-H479 VanDerWaalsContact CB-CG 3.44Å; A472-H479 VanDerWaalsContact CB-ND1 3.32Å; A472-H479 WeakPolarHBondContact CB-ND1 3.42Å; S477-H479 PolarHBondContact O-N 3.47Å; S477-H479 VanDerWaalsContact O-N 3.08Å
480L97.4Very high96.7Very high49 Ų4949.1 Ų49.126%0.25725%0.248SC..EExtended strand (participates in β ladder)trans-117.8153.4175.8-57.2177.3000110T451 T452 C453 F454 I539 W543T451-L480 HydrophobicContact CG2-CD1 3.98Å; T451-L480 HydrophobicContact CG2-CG 4.33Å; T452-L480 PolarHBondContact O-N 3.11Å; C453-L480 CarbonylContact C-O 3.54Å; C453-L480 VanDerWaalsContact CA-O 3.25Å; C453-L480 WeakPolarHBondContact CA-O 3.31Å; C453-L480 HydrophobicContact CB-CB 4.28Å; F454-L480 PolarHBondContact N-O 2.77Å; L480-I539 HydrophobicContact CD1-CD1 3.84Å; L480-I539 HydrophobicContact CD1-CG1 4.34Å; L480-W543 HydrophobicContact CD2-CZ2 4.4Å
481E96.5Very high96.7Very high81 Ų8150 Ų5038%0.37925%0.254SS..EExtended strand (participates in β ladder)trans-122.7142.6168.5-66.9-169.8139.900109.7F454 R465 N469F454-E481 HydrophobicContact CB-CG 4.46Å; F454-E481 WeakPolarHBondContact O-CA 3.38Å; R465-E481 IonicContact CZ-OE1 3.52Å; R465-E481 IonicContact CZ-OE2 3.45Å; R465-E481 IonicContact NE-OE1 3.97Å; R465-E481 PolarHBondContact NE-OE1 3.03Å; R465-E481 IonicContact NE-OE2 3.47Å; R465-E481 PolarHBondContact NE-OE2 2.83Å; R465-E481 IonicContact NH2-OE1 2.79Å; R465-E481 IonicContact NH2-OE2 2.65Å; R465-E481 PolarHBondContact NH2-OE2 3.21Å; N469-E481 PolarHBondContact ND2-OE1 3.03Å; N469-E481 PolarHBondContact OD1-OE1 3.44Å
482S94.9Very high96.6Very high42 Ų4251.2 Ų51.229%0.29426%0.262SS..EExtended strand (participates in β ladder)trans-141.2152.7175.1-165.70000110.2F454 M455 S456F454-S482 PolarHBondContact O-N 2.75Å; M455-S482 CarbonylContact C-O 3.6Å; M455-S482 WeakPolarHBondContact CA-O 3.41Å; S456-S482 PolarHBondContact N-O 2.83Å; S456-S482 PolarHBondContact OG-O 2.73Å
483D95Very high96.5Very high77 Ų7756.5 Ų56.541%0.41229%0.286SS..EExtended strand (participates in β ladder)trans-113.8116.5173.5178.915.1000109S456 T485 P486S456-D483 WeakPolarHBondContact OG-CA 3.26Å; D483-T485 VanDerWaalsContact C-N 3.31Å; D483-T485 WeakPolarHBondContact OD1-CB 3.18Å; D483-T485 PolarHBondContact OD1-N 3.01Å; D483-T485 PolarHBondContact OD1-OG1 3.06Å; D483-P486 WeakPolarHBondContact O-CD 3.27Å
484I96Very high96.5Very high0 Ų053.9 Ų53.90%028%0.277CS..  trans-84.8-6.8178.358.9151.4000112.6M455 S456 L487 V488 Q524 R528M455-I484 HydrophobicContact CB-CG2 4.22Å; S456-I484 WeakPolarHBondContact O-CG1 3.4Å; S456-I484 PolarHBondContact O-N 2.98Å; I484-L487 WeakPolarHBondContact O-CB 3.34Å; I484-L487 PolarHBondContact O-N 3.15Å; I484-V488 HydrophobicContact CD1-CG2 3.97Å; I484-V488 HydrophobicContact CG1-CG2 4.45Å; I484-V488 WeakPolarHBondContact O-CG2 3.36Å; I484-V488 PolarHBondContact O-N 2.89Å; I484-Q524 HydrophobicContact CD1-CB 4.06Å; I484-Q524 HydrophobicContact CD1-CG 4.49Å; I484-Q524 WeakPolarHBondContact CD1-O 3.49Å; I484-R528 HydrophobicContact CD1-CG 3.78Å; I484-R528 HydrophobicContact CG2-CG 4.29Å
485T95.6Very high96.5Very high14 Ų1455.6 Ų55.69%0.08629%0.292CS..Hα-helixtrans-54.2-44.7-176.8-54.20000113S457 E458 D483 L487 V488 K489S457-T485 WeakPolarHBondContact CA-OG1 3.48Å; E458-T485 HydrophobicContact CB-CG2 4.17Å; E458-T485 PolarHBondContact N-OG1 2.72Å; D483-T485 VanDerWaalsContact C-N 3.31Å; D483-T485 WeakPolarHBondContact OD1-CB 3.18Å; D483-T485 PolarHBondContact OD1-N 3.01Å; D483-T485 PolarHBondContact OD1-OG1 3.06Å; T485-L487 VanDerWaalsContact C-N 3.33Å; T485-L487 PolarHBondContact O-N 3.43Å; T485-V488 PolarHBondContact O-N 2.96Å; T485-K489 HydrophobicContact CG2-CD 4.05Å; T485-K489 HydrophobicContact CG2-CG 4.44Å; T485-K489 WeakPolarHBondContact O-CB 3.47Å; T485-K489 WeakPolarHBondContact O-CG 3.42Å; T485-K489 PolarHBondContact O-N 2.82Å
486P97Very high96.5Very high75 Ų7556.3 Ų56.349%0.48730%0.297SS..Hα-helixtrans-60.7-41.8176.3-23.135.1000112.5D483 K489 E490D483-P486 WeakPolarHBondContact O-CD 3.27Å; P486-K489 PolarHBondContact O-N 3.38Å; P486-E490 WeakPolarHBondContact O-CG 3.43Å; P486-E490 PolarHBondContact O-N 2.74Å
487L95.6Very high96.5Very high79 Ų7962.9 Ų62.941%0.41432%0.321SS..Hα-helixtrans-64.3-45.8179.4-60.9173.2000111.2I484 T485 K489 E490 F491 S531I484-L487 WeakPolarHBondContact O-CB 3.34Å; I484-L487 PolarHBondContact O-N 3.15Å; T485-L487 VanDerWaalsContact C-N 3.33Å; T485-L487 PolarHBondContact O-N 3.43Å; L487-K489 VanDerWaalsContact C-N 3.34Å; L487-K489 PolarHBondContact O-N 2.97Å; L487-E490 PolarHBondContact O-N 3.02Å; L487-F491 WeakPolarHBondContact O-CD2 3.35Å; L487-F491 PolarHBondContact O-N 3.38Å; L487-S531 WeakPolarHBondContact CD1-OG 3.44Å
488V95.9Very high96.5Very high14 Ų1467 Ų679%0.08535%0.347CS..Hα-helixtrans-62.5-43.2178.5173.20000110.9I484 T485 E490 F491 V492 I523 Q524I484-V488 HydrophobicContact CD1-CG2 3.97Å; I484-V488 HydrophobicContact CG1-CG2 4.45Å; I484-V488 WeakPolarHBondContact O-CG2 3.36Å; I484-V488 PolarHBondContact O-N 2.89Å; T485-V488 PolarHBondContact O-N 2.96Å; V488-E490 PolarHBondContact O-N 3.41Å; V488-F491 PolarHBondContact O-N 3.18Å; V488-V492 HydrophobicContact CG1-CG2 4.33Å; V488-V492 WeakPolarHBondContact O-CG2 3.4Å; V488-V492 PolarHBondContact O-N 3.25Å; V488-I523 HydrophobicContact CG1-CG2 4.04Å; V488-Q524 HydrophobicContact CG1-CG 4.06Å; V488-Q524 HydrophobicContact CG2-CB 4.42Å; V488-Q524 HydrophobicContact CG2-CG 3.93Å
489K96.2Very high96.6Very high118 Ų11870.1 Ų70.151%0.51336%0.363SS..Hα-helixtrans-60-44.2176.6-77.3176.6179.3171.70111.8E458 T485 P486 L487 V492 H493E458-K489 IonicContact OE2-NZ 3.76Å; T485-K489 HydrophobicContact CG2-CD 4.05Å; T485-K489 HydrophobicContact CG2-CG 4.44Å; T485-K489 WeakPolarHBondContact O-CB 3.47Å; T485-K489 WeakPolarHBondContact O-CG 3.42Å; T485-K489 PolarHBondContact O-N 2.82Å; P486-K489 PolarHBondContact O-N 3.38Å; L487-K489 VanDerWaalsContact C-N 3.34Å; L487-K489 PolarHBondContact O-N 2.97Å; K489-V492 PolarHBondContact O-N 3.28Å; K489-H493 VanDerWaalsContact O-CB 3.24Å; K489-H493 WeakPolarHBondContact O-CB 3.49Å; K489-H493 PolarHBondContact O-N 2.71Å
490E97.3Very high96.5Very high129 Ų12975.1 Ų75.160%0.60339%0.391SS*.Hα-helixtrans-63.5-42176-73-55.5134.600112.3P486 L487 V488 H493 M494P486-E490 WeakPolarHBondContact O-CG 3.43Å; P486-E490 PolarHBondContact O-N 2.74Å; L487-E490 PolarHBondContact O-N 3.02Å; V488-E490 PolarHBondContact O-N 3.41Å; E490-H493 PolarHBondContact O-N 3.28Å; E490-M494 VanDerWaalsContact O-CB 3.26Å; E490-M494 WeakPolarHBondContact O-CB 3.33Å; E490-M494 PolarHBondContact O-N 3.36Å
491F96.8Very high96.4Very high88 Ų8876.7 Ų76.739%0.38640%0.399SS..Hα-helixtrans-62.9-44.5175.3-74.9-53.7000112.7L487 V488 M494 A495 I523L487-F491 WeakPolarHBondContact O-CD2 3.35Å; L487-F491 PolarHBondContact O-N 3.38Å; V488-F491 PolarHBondContact O-N 3.18Å; F491-M494 HydrophobicContact CD1-CE 4.39Å; F491-M494 PolarHBondContact O-N 3.2Å; F491-A495 WeakPolarHBondContact O-CB 2.99Å; F491-A495 PolarHBondContact O-N 2.92Å; F491-I523 HydrophobicContact CB-CD1 4Å; F491-I523 HydrophobicContact CB-CG1 3.83Å; F491-I523 HydrophobicContact CD2-CD1 3.9Å; F491-I523 HydrophobicContact CD2-CG1 4.11Å; F491-I523 HydrophobicContact CG-CD1 3.95Å; F491-I523 HydrophobicContact CG-CG1 4.21Å
492V96.2Very high96.2Very high26 Ų2677.5 Ų77.516%0.15842%0.42CS..Hα-helixtrans-66.5-39.8178173.70000110.8V488 K489 A495 S496 P504 P505 L520 I523V488-V492 HydrophobicContact CG1-CG2 4.33Å; V488-V492 WeakPolarHBondContact O-CG2 3.4Å; V488-V492 PolarHBondContact O-N 3.25Å; K489-V492 PolarHBondContact O-N 3.28Å; V492-A495 PolarHBondContact O-N 3.41Å; V492-S496 VanDerWaalsContact O-CB 3.32Å; V492-S496 WeakPolarHBondContact O-CB 3.4Å; V492-S496 PolarHBondContact O-N 3.24Å; V492-S496 PolarHBondContact O-OG 3.12Å; V492-P504 HydrophobicContact CG1-CB 4.49Å; V492-P505 HydrophobicContact CG1-CG 3.97Å; V492-L520 HydrophobicContact CG1-CD2 4.5Å; V492-L520 HydrophobicContact CG2-CD2 3.73Å; V492-I523 HydrophobicContact CG2-CG2 4.44Å
493H96.8Very high96Very high110 Ų11082.4 Ų82.451%0.50944%0.438SS..Hα-helixtrans-62.1-49.4175.4-179.371.8000111.3K489 E490 A495 S496 K497K489-H493 VanDerWaalsContact O-CB 3.24Å; K489-H493 WeakPolarHBondContact O-CB 3.49Å; K489-H493 PolarHBondContact O-N 2.71Å; E490-H493 PolarHBondContact O-N 3.28Å; H493-A495 VanDerWaalsContact C-N 3.34Å; H493-A495 PolarHBondContact O-N 3.42Å; H493-S496 PolarHBondContact O-N 3.03Å; H493-K497 WeakPolarHBondContact O-CB 3.3Å; H493-K497 PolarHBondContact O-N 3.34Å
494M97.4Very high95.9Very high101 Ų10181.9 Ų81.950%0.49844%0.438SS..Hα-helixtrans-56.4-47.2176.1177.3-79-65.700111.5E490 F491 K497 T498E490-M494 VanDerWaalsContact O-CB 3.26Å; E490-M494 WeakPolarHBondContact O-CB 3.33Å; E490-M494 PolarHBondContact O-N 3.36Å; F491-M494 HydrophobicContact CD1-CE 4.39Å; F491-M494 PolarHBondContact O-N 3.2Å; M494-K497 PolarHBondContact O-N 3.26Å; M494-T498 WeakPolarHBondContact O-CB 3.3Å; M494-T498 PolarHBondContact O-N 3.45Å; M494-T498 PolarHBondContact O-OG1 3.36Å
495A96.8Very high95.9Very high39 Ų3983.4 Ų83.432%0.32245%0.449SS..Hα-helixtrans-64.1-43.9178.700000112F491 V492 H493 K497 T498 L499F491-A495 WeakPolarHBondContact O-CB 2.99Å; F491-A495 PolarHBondContact O-N 2.92Å; V492-A495 PolarHBondContact O-N 3.41Å; H493-A495 VanDerWaalsContact C-N 3.34Å; H493-A495 PolarHBondContact O-N 3.42Å; A495-K497 PolarHBondContact O-N 2.8Å; A495-T498 PolarHBondContact O-N 2.99Å; A495-L499 WeakPolarHBondContact O-CB 3.34Å; A495-L499 WeakPolarHBondContact O-CG 3.27Å; A495-L499 PolarHBondContact O-N 3Å
496S96.7Very high95.9Very high17 Ų1788.8 Ų88.812%0.11947%0.467CS..Hα-helixtrans-63.1-42.9-180-57.60000111.7V492 H493 N500 L501V492-S496 VanDerWaalsContact O-CB 3.32Å; V492-S496 WeakPolarHBondContact O-CB 3.4Å; V492-S496 PolarHBondContact O-N 3.24Å; V492-S496 PolarHBondContact O-OG 3.12Å; H493-S496 PolarHBondContact O-N 3.03Å; S496-N500 PolarHBondContact O-N 3.27Å; S496-N500 VanDerWaalsContact O-N 3.14Å; S496-L501 PolarHBondContact O-N 3.35Å
497K97.4Very high95.6Very high152 Ų15285.9 Ų85.966%0.66145%0.447SS*.Hα-helixtrans-65.4-45.5175.6-173.7-179.1-179.6-179.40111.7H493 M494 A495 L499 N500H493-K497 WeakPolarHBondContact O-CB 3.3Å; H493-K497 PolarHBondContact O-N 3.34Å; M494-K497 PolarHBondContact O-N 3.26Å; A495-K497 PolarHBondContact O-N 2.8Å; K497-L499 VanDerWaalsContact C-N 3.32Å; K497-L499 PolarHBondContact O-N 2.94Å; K497-N500 PolarHBondContact O-N 3.43Å; K497-N500 PolarHBondContact O-OD1 3.3Å
498T97.5Very high95.4Very high98 Ų9885.1 Ų85.160%0.60145%0.446SS*.Hα-helixtrans-63.7-38-178.2-58.40000112.2M494 A495M494-T498 WeakPolarHBondContact O-CB 3.3Å; M494-T498 PolarHBondContact O-N 3.45Å; M494-T498 PolarHBondContact O-OG1 3.36Å; A495-T498 PolarHBondContact O-N 2.99Å
499L97.3Very high94.9Very high121 Ų12188.3 Ų88.363%0.63447%0.465SS*.THydrogen-bonded Turntrans-89.40.8179.7-65.2174.3000113.6A495 K497 L501A495-L499 WeakPolarHBondContact O-CB 3.34Å; A495-L499 WeakPolarHBondContact O-CG 3.27Å; A495-L499 PolarHBondContact O-N 3Å; K497-L499 VanDerWaalsContact C-N 3.32Å; K497-L499 PolarHBondContact O-N 2.94Å; L499-L501 VanDerWaalsContact C-N 3.26Å; L499-L501 HydrophobicContact CB-CD2 3.87Å; L499-L501 HydrophobicContact CB-CG 3.85Å; L499-L501 PolarHBondContact O-N 2.94Å
500N96.7Very high94.6Very high148 Ų14887.9 Ų87.979%0.79146%0.464SS*.THydrogen-bonded Turntrans49.843.6-173.9-60.7-60.9000113.1S496 K497 A502S496-N500 PolarHBondContact O-N 3.27Å; S496-N500 VanDerWaalsContact O-N 3.14Å; K497-N500 PolarHBondContact O-N 3.43Å; K497-N500 PolarHBondContact O-OD1 3.3Å; N500-A502 PolarHBondContact O-N 2.86Å
501L94.5Very high94.3Very high82 Ų8284.5 Ų84.543%0.42946%0.464SS..  trans-69.9132.9-179.4-58.2-178.5000110.5S496 L499 Q503S496-L501 PolarHBondContact O-N 3.35Å; L499-L501 VanDerWaalsContact C-N 3.26Å; L499-L501 HydrophobicContact CB-CD2 3.87Å; L499-L501 HydrophobicContact CB-CG 3.85Å; L499-L501 PolarHBondContact O-N 2.94Å; L501-Q503 WeakPolarHBondContact CB-O 3.37Å; L501-Q503 PolarHBondContact O-N 2.78Å
502A92.4Very high94.1Very high98 Ų9880.8 Ų80.881%0.8145%0.451SS*.SBendtrans-65.8-27.6176.200000112.8N500N500-A502 PolarHBondContact O-N 2.86Å
503Q91.6Very high94Very high144 Ų14482.1 Ų82.167%0.67346%0.461SS*.SBendtrans-141.9146.8176.2-67-63.9-28.500108.7L501L501-Q503 WeakPolarHBondContact CB-O 3.37Å; L501-Q503 PolarHBondContact O-N 2.78Å
504P92.9Very high93.8Very high66 Ų6681.5 Ų81.543%0.42947%0.469SS..  trans-64.4153.3174.728.6-34.4000110.9V492V492-P504 HydrophobicContact CG1-CB 4.49Å
505P95.9Very high93.7Very high33 Ų3385.1 Ų85.121%0.21448%0.483CS..  trans-57.8144.5174.125-33.6000110.7V492 E516 L520V492-P505 HydrophobicContact CG1-CG 3.97Å; P505-E516 WeakPolarHBondContact CA-OE2 3.43Å; P505-E516 HydrophobicContact CB-CB 4.03Å; P505-E516 HydrophobicContact CB-CG 3.98Å; P505-L520 HydrophobicContact CB-CG 4.44Å; P505-L520 HydrophobicContact CG-CD2 4.08Å
506R94.2Very high93.6Very high127 Ų12786 Ų8648%0.47948%0.48SS..  trans-120.8154-178.2-67.4-179.5-69171.30.5112.5H510 G512 E516 L520R506-H510 HydrophobicContact CB-CB 4.37Å; R506-G512 WeakPolarHBondContact O-CA 3.38Å; R506-E516 PolarHBondContact N-OE2 3.45Å; R506-E516 WeakPolarHBondContact O-CB 3.46Å; R506-L520 VanDerWaalsContact C-CD1 3.44Å
507F92Very high93.5Very high14 Ų1485.4 Ų85.46%0.06148%0.476CS..  trans-68.1156168.1-67.1-73.9000111.1V509 H510 G511 G512 L520 Q521 L625 M626 P627F507-V509 VanDerWaalsContact C-N 3.28Å; F507-V509 HydrophobicContact CB-CG2 3.89Å; F507-V509 PolarHBondContact O-N 3.07Å; F507-H510 CarbonylContact O-C 3.5Å; F507-H510 WeakPolarHBondContact O-CA 3.18Å; F507-H510 PolarHBondContact O-N 2.82Å; F507-G511 PolarHBondContact O-N 3.14Å; F507-G512 PolarHBondContact O-N 3.1Å; F507-L520 HydrophobicContact CD1-CB 4.02Å; F507-L520 HydrophobicContact CD1-CD1 3.95Å; F507-L520 HydrophobicContact CD2-CD1 3.97Å; F507-L520 HydrophobicContact CE1-CB 3.46Å; F507-L520 VanDerWaalsContact CE1-CB 3.46Å; F507-L520 HydrophobicContact CE1-CD1 4.06Å; F507-L520 HydrophobicContact CE1-CG 4.43Å; F507-L520 HydrophobicContact CE2-CB 4.47Å; F507-L520 HydrophobicContact CE2-CD1 4.06Å; F507-L520 HydrophobicContact CG-CD1 3.92Å; F507-L520 HydrophobicContact CZ-CB 3.73Å; F507-L520 HydrophobicContact CZ-CD1 4.11Å; F507-L520 HydrophobicContact CZ-CG 4.5Å; F507-Q521 HydrophobicContact CE1-CG 4.19Å; F507-L625 WeakPolarHBondContact CE1-O 3.27Å; F507-M626 HydrophobicContact CB-CE 4.1Å; F507-M626 HydrophobicContact CD1-CE 4.15Å; F507-M626 HydrophobicContact CD1-SD 3.47Å; F507-M626 WeakPolarHBondContact CD1-SD 3.2Å; F507-M626 HydrophobicContact CE1-SD 4.03Å; F507-M626 HydrophobicContact CG-SD 4.35Å; F507-P627 HydrophobicContact CB-CG 4Å; F507-P627 HydrophobicContact CD1-CG 4.45Å; F507-P627 HydrophobicContact CD2-CG 3.42Å; F507-P627 VanDerWaalsContact CD2-CG 3.42Å; F507-P627 HydrophobicContact CE2-CG 3.92Å; F507-P627 HydrophobicContact CG-CG 3.72Å
508T90.5Very high93.4Very high63 Ų6382.4 Ų82.439%0.38747%0.467SS..G310 helixtrans-58.8-39178.642.10000112.4H510 G511 G512 M626T508-H510 PolarHBondContact O-N 3.37Å; T508-H510 VanDerWaalsContact O-N 3.13Å; T508-G511 PolarHBondContact O-N 3.24Å; T508-G512 WeakPolarHBondContact CA-O 3.38Å; T508-M626 WeakPolarHBondContact OG1-CE 3.39Å
509V86.7Confident93.3Very high81 Ų8180.3 Ų80.349%0.49146%0.459SS..G310 helixtrans-62.2-16.6173.6-62.50000113.8F507 M626 P627F507-V509 VanDerWaalsContact C-N 3.28Å; F507-V509 HydrophobicContact CB-CG2 3.89Å; F507-V509 PolarHBondContact O-N 3.07Å; V509-M626 HydrophobicContact CG1-CE 4.16Å; V509-M626 HydrophobicContact CG2-CE 4.3Å; V509-P627 HydrophobicContact CG2-CB 3.87Å; V509-P627 HydrophobicContact CG2-CG 3.62Å
510H89.3Confident93.2Very high108 Ų10875.3 Ų75.350%0.543%0.433SS..G310 helixtrans-109.718.7175.6-57.8-39.3000112.5R506 F507 T508 P627R506-H510 HydrophobicContact CB-CB 4.37Å; F507-H510 CarbonylContact O-C 3.5Å; F507-H510 WeakPolarHBondContact O-CA 3.18Å; F507-H510 PolarHBondContact O-N 2.82Å; T508-H510 PolarHBondContact O-N 3.37Å; T508-H510 VanDerWaalsContact O-N 3.13Å; H510-P627 WeakPolarHBondContact NE2-CG 3.29Å
511G90.5Very high93.2Very high58 Ų5869.1 Ų69.160%0.59840%0.399SS*.THydrogen-bonded Turntrans79.516.1177.600000115.1F507 T508F507-G511 PolarHBondContact O-N 3.14Å; T508-G511 PolarHBondContact O-N 3.24Å
512G92.6Very high93.2Very high11 Ų1166.6 Ų66.611%0.11339%0.386CS..  trans-78.8161.9169.800000112.9R506 F507 T508R506-G512 WeakPolarHBondContact O-CA 3.38Å; F507-G512 PolarHBondContact O-N 3.1Å; T508-G512 WeakPolarHBondContact CA-O 3.38Å
513S95Very high93.4Very high53 Ų5363.8 Ų63.837%0.37136%0.357SS..  trans-72.7162.3174.267.20000112.5K515 E516 S517S513-K515 PolarHBondContact O-N 3.13Å; S513-E516 VanDerWaalsContact CB-OE1 3.26Å; S513-E516 WeakPolarHBondContact CB-OE1 3.31Å; S513-E516 PolarHBondContact N-OE1 3.49Å; S513-E516 PolarHBondContact O-N 3.02Å; S513-E516 VanDerWaalsContact O-N 3.16Å; S513-E516 WeakPolarHBondContact OG-CG 3.39Å; S513-E516 PolarHBondContact OG-N 2.82Å; S513-E516 PolarHBondContact OG-OE1 2.9Å; S513-S517 PolarHBondContact O-N 2.9Å
514S92.5Very high93.7Very high97 Ų9757.1 Ų57.168%0.67833%0.326SS*.Hα-helixtrans-57.6-31.8174.2-46.20000112.7L518S514-L518 VanDerWaalsContact O-CB 3.27Å; S514-L518 WeakPolarHBondContact O-CB 2.84Å; S514-L518 PolarHBondContact O-N 3.46Å
515K95Very high93.8Very high178 Ų17854.3 Ų54.377%0.77431%0.308SS*.Hα-helixtrans-69.4-43.2177.6-67.6-178.5-178.3177.40111.7S513 A519S513-K515 PolarHBondContact O-N 3.13Å; K515-A519 WeakPolarHBondContact O-CB 3.35Å; K515-A519 PolarHBondContact O-N 3.45Å
516E95.5Very high93.9Very high56 Ų5657.1 Ų57.126%0.26232%0.315SS..Hα-helixtrans-64.5-48.9176.9-70.3163.8-98.500111.1P505 R506 S513 L518 A519 L520P505-E516 WeakPolarHBondContact CA-OE2 3.43Å; P505-E516 HydrophobicContact CB-CB 4.03Å; P505-E516 HydrophobicContact CB-CG 3.98Å; R506-E516 PolarHBondContact N-OE2 3.45Å; R506-E516 WeakPolarHBondContact O-CB 3.46Å; S513-E516 VanDerWaalsContact CB-OE1 3.26Å; S513-E516 WeakPolarHBondContact CB-OE1 3.31Å; S513-E516 PolarHBondContact N-OE1 3.49Å; S513-E516 PolarHBondContact O-N 3.02Å; S513-E516 VanDerWaalsContact O-N 3.16Å; S513-E516 WeakPolarHBondContact OG-CG 3.39Å; S513-E516 PolarHBondContact OG-N 2.82Å; S513-E516 PolarHBondContact OG-OE1 2.9Å; E516-L518 PolarHBondContact O-N 3.48Å; E516-A519 WeakPolarHBondContact O-CB 3.3Å; E516-A519 PolarHBondContact O-N 2.79Å; E516-A519 VanDerWaalsContact O-N 3.12Å; E516-L520 WeakPolarHBondContact O-CG 3.47Å; E516-L520 PolarHBondContact O-N 3.05Å
517S93.8Very high94Very high5 Ų551.2 Ų51.24%0.03529%0.293CS..Hα-helixtrans-57.1-48.5177.3170.20000111.5S513 A519 L520 Q521 M626S513-S517 PolarHBondContact O-N 2.9Å; S517-A519 VanDerWaalsContact C-N 3.3Å; S517-A519 PolarHBondContact O-N 2.75Å; S517-L520 PolarHBondContact O-N 3Å; S517-Q521 VanDerWaalsContact O-CG 3.31Å; S517-Q521 WeakPolarHBondContact O-CG 3.27Å; S517-Q521 PolarHBondContact O-N 3.42Å; S517-Q521 PolarHBondContact OG-NE2 2.96Å; S517-M626 PolarHBondContact OG-SD 2.88Å
518L94.1Very high94.3Very high90 Ų9052.2 Ų52.247%0.47130%0.296SS..Hα-helixtrans-60.9-38.7177.3-17861.3000112S514 E516 Q521 N522S514-L518 VanDerWaalsContact O-CB 3.27Å; S514-L518 WeakPolarHBondContact O-CB 2.84Å; S514-L518 PolarHBondContact O-N 3.46Å; E516-L518 PolarHBondContact O-N 3.48Å; L518-Q521 PolarHBondContact O-N 3.22Å; L518-N522 VanDerWaalsContact O-CB 3.29Å; L518-N522 WeakPolarHBondContact O-CB 3.5Å; L518-N522 PolarHBondContact O-N 3.43Å; L518-N522 PolarHBondContact O-ND2 3.08Å; L518-N522 VanDerWaalsContact O-ND2 3.08Å
519A96.2Very high94.6Very high54 Ų5451 Ų5145%0.44629%0.287SS..Hα-helixtrans-64.2-42.8176.400000112.2K515 E516 S517 N522 I523K515-A519 WeakPolarHBondContact O-CB 3.35Å; K515-A519 PolarHBondContact O-N 3.45Å; E516-A519 WeakPolarHBondContact O-CB 3.3Å; E516-A519 PolarHBondContact O-N 2.79Å; E516-A519 VanDerWaalsContact O-N 3.12Å; S517-A519 VanDerWaalsContact C-N 3.3Å; S517-A519 PolarHBondContact O-N 2.75Å; A519-N522 PolarHBondContact O-N 2.91Å; A519-I523 PolarHBondContact O-N 3.35Å
520L96.2Very high95.1Very high15 Ų1551.1 Ų51.18%0.07929%0.287CS..Hα-helixtrans-66.5-37.7177.2-71.1173.3000112.9V492 P505 R506 F507 E516 S517 I523 Q524V492-L520 HydrophobicContact CG1-CD2 4.5Å; V492-L520 HydrophobicContact CG2-CD2 3.73Å; P505-L520 HydrophobicContact CB-CG 4.44Å; P505-L520 HydrophobicContact CG-CD2 4.08Å; R506-L520 VanDerWaalsContact C-CD1 3.44Å; F507-L520 HydrophobicContact CD1-CB 4.02Å; F507-L520 HydrophobicContact CD1-CD1 3.95Å; F507-L520 HydrophobicContact CD2-CD1 3.97Å; F507-L520 HydrophobicContact CE1-CB 3.46Å; F507-L520 VanDerWaalsContact CE1-CB 3.46Å; F507-L520 HydrophobicContact CE1-CD1 4.06Å; F507-L520 HydrophobicContact CE1-CG 4.43Å; F507-L520 HydrophobicContact CE2-CB 4.47Å; F507-L520 HydrophobicContact CE2-CD1 4.06Å; F507-L520 HydrophobicContact CG-CD1 3.92Å; F507-L520 HydrophobicContact CZ-CB 3.73Å; F507-L520 HydrophobicContact CZ-CD1 4.11Å; F507-L520 HydrophobicContact CZ-CG 4.5Å; E516-L520 WeakPolarHBondContact O-CG 3.47Å; E516-L520 PolarHBondContact O-N 3.05Å; S517-L520 PolarHBondContact O-N 3Å; L520-I523 VanDerWaalsContact O-CG2 3.31Å; L520-I523 WeakPolarHBondContact O-CG2 3.3Å; L520-Q524 WeakPolarHBondContact O-CG 3.05Å; L520-Q524 PolarHBondContact O-N 2.93Å; L520-Q524 PolarHBondContact O-NE2 2.9Å
521Q94.7Very high95.5Very high18 Ų1846.6 Ų46.68%0.08427%0.268CS..Hα-helixtrans-66-47.2173-67.9-17662.500110.9F507 S517 L518 I523 Q524 A525 L625 M626F507-Q521 HydrophobicContact CE1-CG 4.19Å; S517-Q521 VanDerWaalsContact O-CG 3.31Å; S517-Q521 WeakPolarHBondContact O-CG 3.27Å; S517-Q521 PolarHBondContact O-N 3.42Å; S517-Q521 PolarHBondContact OG-NE2 2.96Å; L518-Q521 PolarHBondContact O-N 3.22Å; Q521-I523 PolarHBondContact O-N 2.83Å; Q521-Q524 WeakPolarHBondContact O-CB 3.16Å; Q521-Q524 PolarHBondContact O-N 3.47Å; Q521-A525 PolarHBondContact O-N 3.44Å; Q521-A525 VanDerWaalsContact O-N 3.09Å; Q521-L625 HydrophobicContact CB-CB 3.9Å; Q521-L625 HydrophobicContact CB-CD1 4.06Å; Q521-L625 HydrophobicContact CG-CB 3.74Å; Q521-M626 HydrophobicContact CG-CG 4.23Å; Q521-M626 HydrophobicContact CG-SD 3.84Å; Q521-M626 PolarHBondContact NE2-SD 2.8Å
522N96.2Very high95.8Very high30 Ų3044 Ų4416%0.1624%0.24CC..Hα-helixtrans-62.7-40.1-178.6-73.6-27.5000112.8L518 A519 Q524 A525 R526 T566L518-N522 VanDerWaalsContact O-CB 3.29Å; L518-N522 WeakPolarHBondContact O-CB 3.5Å; L518-N522 PolarHBondContact O-N 3.43Å; L518-N522 PolarHBondContact O-ND2 3.08Å; L518-N522 VanDerWaalsContact O-ND2 3.08Å; A519-N522 PolarHBondContact O-N 2.91Å; N522-Q524 VanDerWaalsContact C-N 3.34Å; N522-A525 PolarHBondContact O-N 3.07Å; N522-R526 WeakPolarHBondContact O-CG 3.27Å; N522-R526 PolarHBondContact O-N 3.3Å; N522-T566 HydrophobicContact CB-CG2 3.86Å; N522-T566 VanDerWaalsContact OD1-CG2 3.31Å; N522-T566 WeakPolarHBondContact OD1-CG2 3.43Å; N522-T566 PolarHBondContact OD1-OG1 3.27Å
523I96.7Very high96.1Very high39 Ų3946.1 Ų46.120%0.225%0.245CC..Hα-helixtrans-68-34.7-180-169.560000111.8V488 F491 V492 A519 L520 Q521 S527V488-I523 HydrophobicContact CG1-CG2 4.04Å; F491-I523 HydrophobicContact CB-CD1 4Å; F491-I523 HydrophobicContact CB-CG1 3.83Å; F491-I523 HydrophobicContact CD2-CD1 3.9Å; F491-I523 HydrophobicContact CD2-CG1 4.11Å; F491-I523 HydrophobicContact CG-CD1 3.95Å; F491-I523 HydrophobicContact CG-CG1 4.21Å; V492-I523 HydrophobicContact CG2-CG2 4.44Å; A519-I523 PolarHBondContact O-N 3.35Å; L520-I523 VanDerWaalsContact O-CG2 3.31Å; L520-I523 WeakPolarHBondContact O-CG2 3.3Å; Q521-I523 PolarHBondContact O-N 2.83Å; I523-S527 VanDerWaalsContact O-CB 3.3Å; I523-S527 WeakPolarHBondContact O-CB 3.45Å; I523-S527 PolarHBondContact O-N 3Å; I523-S527 PolarHBondContact O-OG 3.26Å
524Q96.5Very high96.2Very high4 Ų448.2 Ų48.22%0.01925%0.252CS..Hα-helixtrans-60.6-49.7170.4-69.6172.483.900110.4S457 N459 I484 V488 L520 Q521 N522 R526 S527 R528 L625S457-Q524 PolarHBondContact OG-OE1 2.93Å; N459-Q524 PolarHBondContact ND2-OE1 3.08Å; I484-Q524 HydrophobicContact CD1-CB 4.06Å; I484-Q524 HydrophobicContact CD1-CG 4.49Å; I484-Q524 WeakPolarHBondContact CD1-O 3.49Å; V488-Q524 HydrophobicContact CG1-CG 4.06Å; V488-Q524 HydrophobicContact CG2-CB 4.42Å; V488-Q524 HydrophobicContact CG2-CG 3.93Å; L520-Q524 WeakPolarHBondContact O-CG 3.05Å; L520-Q524 PolarHBondContact O-N 2.93Å; L520-Q524 PolarHBondContact O-NE2 2.9Å; Q521-Q524 WeakPolarHBondContact O-CB 3.16Å; Q521-Q524 PolarHBondContact O-N 3.47Å; N522-Q524 VanDerWaalsContact C-N 3.34Å; Q524-R526 PolarHBondContact O-N 3.49Å; Q524-S527 PolarHBondContact O-N 3.27Å; Q524-R528 PolarHBondContact O-N 3.3Å; Q524-L625 HydrophobicContact CB-CD2 4.22Å; Q524-L625 PolarHBondContact NE2-O 3.43Å
525A95.8Very high96.5Very high6 Ų645.8 Ų45.85%0.0523%0.231CC..Hα-helixtrans-60.4-45.6-17900000112.7Q521 N522 R528 M529 T566 D569Q521-A525 PolarHBondContact O-N 3.44Å; Q521-A525 VanDerWaalsContact O-N 3.09Å; N522-A525 PolarHBondContact O-N 3.07Å; A525-R528 PolarHBondContact O-N 3.48Å; A525-M529 PolarHBondContact O-N 3.4Å; A525-T566 HydrophobicContact CB-CG2 4.26Å; A525-D569 HydrophobicContact CB-CB 3.6Å; A525-D569 WeakPolarHBondContact O-CB 3.06Å
526R97.4Very high96.6Very high92 Ų9237.5 Ų37.535%0.34720%0.195SC..Hα-helixtrans-67.7-34.5176.9-65.7-169.8-169.31065.3113.1N522 Q524 R528 M529 V530 T566 K567 Y568N522-R526 WeakPolarHBondContact O-CG 3.27Å; N522-R526 PolarHBondContact O-N 3.3Å; Q524-R526 PolarHBondContact O-N 3.49Å; R526-R528 VanDerWaalsContact C-N 3.29Å; R526-R528 PolarHBondContact O-N 3.07Å; R526-M529 PolarHBondContact O-N 3.24Å; R526-V530 PolarHBondContact O-N 3.46Å; R526-V530 VanDerWaalsContact O-N 3.07Å; R526-T566 HydrophobicContact CG-CG2 4.09Å; R526-K567 PolarHBondContact NE-O 2.99Å; R526-K567 VanDerWaalsContact NE-O 3.09Å; R526-Y568 WeakPolarHBondContact CG-O 3.08Å
527S97.3Very high96.6Very high3 Ų341.3 Ų41.32%0.02121%0.213CC..Hα-helixtrans-62.1-39.9177-60.40000111I523 Q524 M529 V530 S531I523-S527 VanDerWaalsContact O-CB 3.3Å; I523-S527 WeakPolarHBondContact O-CB 3.45Å; I523-S527 PolarHBondContact O-N 3Å; I523-S527 PolarHBondContact O-OG 3.26Å; Q524-S527 PolarHBondContact O-N 3.27Å; S527-M529 VanDerWaalsContact C-N 3.34Å; S527-M529 PolarHBondContact O-N 2.88Å; S527-V530 PolarHBondContact O-N 3.35Å; S527-S531 WeakPolarHBondContact O-CB 3.19Å; S527-S531 PolarHBondContact O-N 3.4Å; S527-S531 PolarHBondContact O-OG 3.36Å; S527-S531 VanDerWaalsContact O-OG 3.09Å
528R97.3Very high96.8Very high36 Ų3645.1 Ų45.114%0.13623%0.233CC..Hα-helixtrans-59.3-43.3174.1-63.4-171.1-178.592.4-1.4112.2M455 S457 I484 Q524 A525 R526 S531 A532M455-R528 HydrophobicContact CB-CG 3.91Å; M455-R528 PolarHBondContact O-NE 2.94Å; M455-R528 HydrophobicContact SD-CB 3.73Å; M455-R528 HydrophobicContact SD-CG 4.1Å; M455-R528 VanDerWaalsContact SD-O 3.33Å; S457-R528 PolarHBondContact OG-NH2 2.99Å; I484-R528 HydrophobicContact CD1-CG 3.78Å; I484-R528 HydrophobicContact CG2-CG 4.29Å; Q524-R528 PolarHBondContact O-N 3.3Å; A525-R528 PolarHBondContact O-N 3.48Å; R526-R528 VanDerWaalsContact C-N 3.29Å; R526-R528 PolarHBondContact O-N 3.07Å; R528-S531 PolarHBondContact O-N 3.07Å; R528-A532 VanDerWaalsContact O-CB 3.3Å; R528-A532 WeakPolarHBondContact O-CB 3.22Å; R528-A532 PolarHBondContact O-N 2.75Å
529M97.3Very high97Very high38 Ų3841.2 Ų41.219%0.18721%0.212CC..Hα-helixtrans-61.5-48.4177.8-179.8-79.3-69.300111.9A525 R526 S527 S531 A532 Y533 Y568A525-M529 PolarHBondContact O-N 3.4Å; R526-M529 PolarHBondContact O-N 3.24Å; S527-M529 VanDerWaalsContact C-N 3.34Å; S527-M529 PolarHBondContact O-N 2.88Å; M529-S531 VanDerWaalsContact C-N 3.33Å; M529-S531 PolarHBondContact O-N 2.93Å; M529-A532 WeakPolarHBondContact O-CB 3.15Å; M529-A532 PolarHBondContact O-N 3.24Å; M529-A532 VanDerWaalsContact O-N 3.15Å; M529-Y533 HydrophobicContact CG-CD2 4.23Å; M529-Y533 HydrophobicContact CG-CE2 4.33Å; M529-Y533 PolarHBondContact O-N 3.37Å; M529-Y533 VanDerWaalsContact O-N 3.12Å; M529-Y533 HydrophobicContact SD-CD2 3.77Å; M529-Y533 HydrophobicContact SD-CE2 4.15Å; M529-Y568 WeakPolarHBondContact CE-O 3.34Å
530V97.8Very high96.9Very high82 Ų8239.2 Ų39.250%0.49720%0.195SC..Hα-helixtrans-60.9-44.7178.4175.90000110.8R526 S527 A532 L534R526-V530 PolarHBondContact O-N 3.46Å; R526-V530 VanDerWaalsContact O-N 3.07Å; S527-V530 PolarHBondContact O-N 3.35Å; V530-A532 VanDerWaalsContact C-N 3.33Å; V530-A532 PolarHBondContact O-N 2.96Å; V530-L534 WeakPolarHBondContact O-CB 3.34Å; V530-L534 PolarHBondContact O-N 3.37Å; V530-L534 VanDerWaalsContact O-N 3.08Å
531S97.3Very high96.9Very high14 Ų1448 Ų4810%0.09823%0.227CC..Hα-helixtrans-62.7-38.1175.5-63.60000112.5L487 S527 R528 M529 L534 L535L487-S531 WeakPolarHBondContact CD1-OG 3.44Å; S527-S531 WeakPolarHBondContact O-CB 3.19Å; S527-S531 PolarHBondContact O-N 3.4Å; S527-S531 PolarHBondContact O-OG 3.36Å; S527-S531 VanDerWaalsContact O-OG 3.09Å; R528-S531 PolarHBondContact O-N 3.07Å; M529-S531 VanDerWaalsContact C-N 3.33Å; M529-S531 PolarHBondContact O-N 2.93Å; S531-L534 PolarHBondContact O-N 3.49Å; S531-L535 WeakPolarHBondContact O-CB 3.47Å; S531-L535 VanDerWaalsContact O-CG 3.26Å; S531-L535 WeakPolarHBondContact O-CG 3.48Å; S531-L535 PolarHBondContact O-N 2.85Å
532A97.7Very high96.9Very high2 Ų252.3 Ų52.32%0.01725%0.251CS..Hα-helixtrans-61.1-50.4178.800000111.8F389 C391 M455 R528 M529 V530 L535 A536F389-A532 HydrophobicContact CD1-CB 4.19Å; F389-A532 HydrophobicContact CE1-CB 3.62Å; F389-A532 HydrophobicContact CZ-CB 4.49Å; C391-A532 VanDerWaalsContact SG-CB 3.58Å; M455-A532 HydrophobicContact CE-CB 3.94Å; R528-A532 VanDerWaalsContact O-CB 3.3Å; R528-A532 WeakPolarHBondContact O-CB 3.22Å; R528-A532 PolarHBondContact O-N 2.75Å; M529-A532 WeakPolarHBondContact O-CB 3.15Å; M529-A532 PolarHBondContact O-N 3.24Å; M529-A532 VanDerWaalsContact O-N 3.15Å; V530-A532 VanDerWaalsContact C-N 3.33Å; V530-A532 PolarHBondContact O-N 2.96Å; A532-L535 PolarHBondContact O-N 2.92Å; A532-A536 VanDerWaalsContact O-CB 3.26Å; A532-A536 WeakPolarHBondContact O-CB 3.42Å; A532-A536 PolarHBondContact O-N 3.09Å
533Y98.3Very high96.7Very high57 Ų5754.8 Ų54.822%0.22426%0.258CS..Hα-helixtrans-65-40.2178.1-87-79.3000112.4M529 L535 A536 Q537 V551 A573 D574M529-Y533 HydrophobicContact CG-CD2 4.23Å; M529-Y533 HydrophobicContact CG-CE2 4.33Å; M529-Y533 PolarHBondContact O-N 3.37Å; M529-Y533 VanDerWaalsContact O-N 3.12Å; M529-Y533 HydrophobicContact SD-CD2 3.77Å; M529-Y533 HydrophobicContact SD-CE2 4.15Å; Y533-L535 PolarHBondContact O-N 3.15Å; Y533-A536 PolarHBondContact O-N 2.66Å; Y533-Q537 WeakPolarHBondContact O-CB 3.37Å; Y533-Q537 VanDerWaalsContact O-CG 3.32Å; Y533-Q537 WeakPolarHBondContact O-CG 3.3Å; Y533-Q537 PolarHBondContact O-N 3.44Å; Y533-V551 HydrophobicContact CD1-CG2 3.86Å; Y533-V551 HydrophobicContact CE1-CB 4.22Å; Y533-V551 HydrophobicContact CE1-CG2 3.74Å; Y533-V551 HydrophobicContact CE2-CG1 4.42Å; Y533-V551 HydrophobicContact CE2-CG2 4.49Å; Y533-V551 HydrophobicContact CG-CG2 4.3Å; Y533-A573 VanDerWaalsContact OH-CA 3.23Å; Y533-A573 WeakPolarHBondContact OH-CA 3.27Å; Y533-D574 WeakPolarHBondContact CE1-OD1 3.46Å; Y533-D574 PolarHBondContact OH-N 2.91Å; Y533-D574 PolarHBondContact OH-OD1 3.03Å
534L97.4Very high96.5Very high96 Ų9659.8 Ų59.850%0.50329%0.285SS..Hα-helixtrans-60.5-47.6176-178.962.8000111.3V530 S531 Q537 L538V530-L534 WeakPolarHBondContact O-CB 3.34Å; V530-L534 PolarHBondContact O-N 3.37Å; V530-L534 VanDerWaalsContact O-N 3.08Å; S531-L534 PolarHBondContact O-N 3.49Å; L534-Q537 PolarHBondContact O-N 3.05Å; L534-L538 HydrophobicContact CD1-CD1 3.75Å; L534-L538 HydrophobicContact CD1-CG 4.16Å; L534-L538 HydrophobicContact CG-CD1 3.98Å; L534-L538 WeakPolarHBondContact O-CB 3.19Å; L534-L538 WeakPolarHBondContact O-CG 3.43Å; L534-L538 PolarHBondContact O-N 3.32Å
535L97.3Very high96.3Very high47 Ų4761.6 Ų61.625%0.24630%0.295CS..Hα-helixtrans-64.2-47.5177.6-70.5173.1000111.1F389 M455 S531 A532 Y533 Q537 L538 I539F389-L535 HydrophobicContact CE2-CB 3.72Å; F389-L535 HydrophobicContact CE2-CD1 4.32Å; F389-L535 HydrophobicContact CZ-CB 3.91Å; F389-L535 HydrophobicContact CZ-CD1 4.01Å; M455-L535 HydrophobicContact CE-CD1 3.9Å; S531-L535 WeakPolarHBondContact O-CB 3.47Å; S531-L535 VanDerWaalsContact O-CG 3.26Å; S531-L535 WeakPolarHBondContact O-CG 3.48Å; S531-L535 PolarHBondContact O-N 2.85Å; A532-L535 PolarHBondContact O-N 2.92Å; Y533-L535 PolarHBondContact O-N 3.15Å; L535-Q537 PolarHBondContact O-N 3.45Å; L535-Q537 VanDerWaalsContact O-N 3.14Å; L535-L538 PolarHBondContact O-N 3.39Å; L535-L538 VanDerWaalsContact O-N 3.09Å; L535-I539 HydrophobicContact CB-CD1 4.07Å; L535-I539 VanDerWaalsContact O-CB 3.31Å; L535-I539 WeakPolarHBondContact O-CB 3.45Å; L535-I539 VanDerWaalsContact O-CD1 3.29Å; L535-I539 WeakPolarHBondContact O-CD1 3.47Å; L535-I539 WeakPolarHBondContact O-CG1 3.38Å; L535-I539 PolarHBondContact O-N 3.29Å
536A97.4Very high96.1Very high3 Ų364.7 Ų64.73%0.02531%0.314CS..Hα-helixtrans-57.8-29.5179.700000113.1F389 A532 Y533 P540 L549 V551F389-A536 HydrophobicContact CB-CB 3.85Å; F389-A536 HydrophobicContact CD1-CB 4.47Å; F389-A536 HydrophobicContact CD2-CB 4.26Å; F389-A536 HydrophobicContact CG-CB 3.94Å; A532-A536 VanDerWaalsContact O-CB 3.26Å; A532-A536 WeakPolarHBondContact O-CB 3.42Å; A532-A536 PolarHBondContact O-N 3.09Å; Y533-A536 PolarHBondContact O-N 2.66Å; A536-P540 WeakPolarHBondContact O-CD 3.4Å; A536-P540 WeakPolarHBondContact O-CG 3.49Å; A536-L549 HydrophobicContact CB-CB 4.33Å; A536-V551 HydrophobicContact CB-CG2 3.66Å
537Q96.9Very high95.9Very high136 Ų13662.4 Ų62.464%0.63631%0.312SS*.Hα-helixtrans-83.8-35.6175.2-71.6176.5-8.300113.5Y533 L534 L535Y533-Q537 WeakPolarHBondContact O-CB 3.37Å; Y533-Q537 VanDerWaalsContact O-CG 3.32Å; Y533-Q537 WeakPolarHBondContact O-CG 3.3Å; Y533-Q537 PolarHBondContact O-N 3.44Å; L534-Q537 PolarHBondContact O-N 3.05Å; L535-Q537 PolarHBondContact O-N 3.45Å; L535-Q537 VanDerWaalsContact O-N 3.14Å
538L97.5Very high95.7Very high85 Ų8563.9 Ų63.945%0.44533%0.328SS..Hα-helixtrans-86-24.6-177.8-69-178.8000114.1L534 L535 W541 N542L534-L538 HydrophobicContact CD1-CD1 3.75Å; L534-L538 HydrophobicContact CD1-CG 4.16Å; L534-L538 HydrophobicContact CG-CD1 3.98Å; L534-L538 WeakPolarHBondContact O-CB 3.19Å; L534-L538 WeakPolarHBondContact O-CG 3.43Å; L534-L538 PolarHBondContact O-N 3.32Å; L535-L538 PolarHBondContact O-N 3.39Å; L535-L538 VanDerWaalsContact O-N 3.09Å; L538-W541 WeakPolarHBondContact O-CB 3.36Å; L538-W541 PolarHBondContact O-N 3.47Å; L538-N542 WeakPolarHBondContact O-CB 3.34Å; L538-N542 PolarHBondContact O-N 3.27Å
539I97Very high95.8Very high8 Ų862.8 Ų62.84%0.04133%0.325CS..Hα-helixtrans-59.4-49.6177.6-77.2159.3000111.4F389 T451 L480 L535 W541 N542 W543 L545 L549F389-I539 HydrophobicContact CD2-CD1 3.72Å; F389-I539 HydrophobicContact CE2-CD1 3.69Å; T451-I539 HydrophobicContact CG2-CD1 3.76Å; L480-I539 HydrophobicContact CD1-CD1 3.84Å; L480-I539 HydrophobicContact CD1-CG1 4.34Å; L535-I539 HydrophobicContact CB-CD1 4.07Å; L535-I539 VanDerWaalsContact O-CB 3.31Å; L535-I539 WeakPolarHBondContact O-CB 3.45Å; L535-I539 VanDerWaalsContact O-CD1 3.29Å; L535-I539 WeakPolarHBondContact O-CD1 3.47Å; L535-I539 WeakPolarHBondContact O-CG1 3.38Å; L535-I539 PolarHBondContact O-N 3.29Å; I539-W541 VanDerWaalsContact C-N 3.26Å; I539-W541 PolarHBondContact O-N 2.95Å; I539-N542 PolarHBondContact O-N 3.38Å; I539-N542 VanDerWaalsContact O-N 3.16Å; I539-W543 HydrophobicContact CG1-CH2 4.37Å; I539-W543 HydrophobicContact CG2-CD2 3.72Å; I539-W543 HydrophobicContact CG2-CE3 3.25Å; I539-W543 HydrophobicContact CG2-CH2 3.66Å; I539-W543 HydrophobicContact CG2-CZ2 4.16Å; I539-W543 HydrophobicContact CG2-CZ3 3.21Å; I539-W543 PolarHBondContact O-N 2.85Å; I539-L545 HydrophobicContact CG2-CD1 4.46Å; I539-L549 HydrophobicContact CB-CD1 4.11Å; I539-L549 HydrophobicContact CD1-CD1 4.28Å; I539-L549 HydrophobicContact CG2-CD1 3.75Å
540P95.1Very high95.8Very high13 Ų1362.1 Ų62.18%0.08432%0.322CS..Hα-helixtrans-53.6-41.4173.5-30.936.6000114A536 N544 L545 S547 L549A536-P540 WeakPolarHBondContact O-CD 3.4Å; A536-P540 WeakPolarHBondContact O-CG 3.49Å; P540-N544 CarbonylContact O-C 3.3Å; P540-N544 VanDerWaalsContact O-CA 3.29Å; P540-N544 WeakPolarHBondContact O-CA 3.43Å; P540-N544 PolarHBondContact O-N 3.25Å; P540-L545 HydrophobicContact CB-CB 4.04Å; P540-L545 HydrophobicContact CG-CD1 4.5Å; P540-L545 PolarHBondContact O-N 3.42Å; P540-S547 VanDerWaalsContact CB-O 3.28Å; P540-S547 WeakPolarHBondContact CB-O 3.36Å; P540-S547 VanDerWaalsContact CG-O 3.29Å; P540-S547 WeakPolarHBondContact CG-O 3.39Å; P540-L549 HydrophobicContact CG-CG 4.1Å
541W95.4Very high95.9Very high199 Ų19958.5 Ų58.575%0.75430%0.3SS*.Hα-helixtrans-64.5-47.5176.5170.477.8000111.7L538 I539 W543 N544L538-W541 WeakPolarHBondContact O-CB 3.36Å; L538-W541 PolarHBondContact O-N 3.47Å; I539-W541 VanDerWaalsContact C-N 3.26Å; I539-W541 PolarHBondContact O-N 2.95Å; W541-W543 PolarHBondContact O-N 3.17Å; W541-N544 PolarHBondContact O-N 2.95Å
542N95.1Very high95.9Very high108 Ų10858.1 Ų58.158%0.57830%0.297SS*.Hα-helixtrans-69-34.4-177.5-175.459.5000113.1L538 I539L538-N542 WeakPolarHBondContact O-CB 3.34Å; L538-N542 PolarHBondContact O-N 3.27Å; I539-N542 PolarHBondContact O-N 3.38Å; I539-N542 VanDerWaalsContact O-N 3.16Å
543W92.9Very high95.9Very high83 Ų8358 Ų5831%0.31430%0.296SS..Hα-helixtrans-100.36.8-179.2-60-16.2000113.6T451 N478 L480 I539 W541 L545T451-W543 HydrophobicContact CG2-CH2 3.86Å; T451-W543 HydrophobicContact CG2-CZ3 4.25Å; T451-W543 WeakPolarHBondContact OG1-CZ3 3.5Å; N478-W543 HydrophobicContact CB-CH2 4.1Å; N478-W543 HydrophobicContact CB-CZ3 4.25Å; N478-W543 WeakPolarHBondContact ND2-CH2 3.35Å; N478-W543 VanDerWaalsContact ND2-CZ2 3.25Å; N478-W543 WeakPolarHBondContact ND2-CZ2 3.44Å; N478-W543 WeakPolarHBondContact ND2-CZ3 3.41Å; L480-W543 HydrophobicContact CD2-CZ2 4.4Å; I539-W543 HydrophobicContact CG1-CH2 4.37Å; I539-W543 HydrophobicContact CG2-CD2 3.72Å; I539-W543 HydrophobicContact CG2-CE3 3.25Å; I539-W543 HydrophobicContact CG2-CH2 3.66Å; I539-W543 HydrophobicContact CG2-CZ2 4.16Å; I539-W543 HydrophobicContact CG2-CZ3 3.21Å; I539-W543 PolarHBondContact O-N 2.85Å; W541-W543 PolarHBondContact O-N 3.17Å; W543-L545 VanDerWaalsContact C-N 3.28Å; W543-L545 HydrophobicContact CB-CD2 4.32Å; W543-L545 HydrophobicContact CB-CG 4.12Å; W543-L545 HydrophobicContact CE3-CD1 4.39Å; W543-L545 PolarHBondContact O-N 3.2Å
544N92.3Very high95.9Very high143 Ų14356.7 Ų56.777%0.76530%0.295SS*.THydrogen-bonded Turntrans52.844.2-179.2-165.849.1000113P540 W541P540-N544 CarbonylContact O-C 3.3Å; P540-N544 VanDerWaalsContact O-CA 3.29Å; P540-N544 WeakPolarHBondContact O-CA 3.43Å; P540-N544 PolarHBondContact O-N 3.25Å; W541-N544 PolarHBondContact O-N 2.95Å
545L92.7Very high95.8Very high43 Ų4352.4 Ų52.423%0.22527%0.273CS..  trans-78.4149.1173.8-54.4-179.1000110I539 P540 W543 S547 L549I539-L545 HydrophobicContact CG2-CD1 4.46Å; P540-L545 HydrophobicContact CB-CB 4.04Å; P540-L545 HydrophobicContact CG-CD1 4.5Å; P540-L545 PolarHBondContact O-N 3.42Å; W543-L545 VanDerWaalsContact C-N 3.28Å; W543-L545 HydrophobicContact CB-CD2 4.32Å; W543-L545 HydrophobicContact CB-CG 4.12Å; W543-L545 HydrophobicContact CE3-CD1 4.39Å; W543-L545 PolarHBondContact O-N 3.2Å; L545-S547 VanDerWaalsContact C-N 3.26Å; L545-S547 PolarHBondContact O-N 3.17Å; L545-L549 HydrophobicContact CD1-CD2 4.11Å
546P90.5Very high95.7Very high70 Ų7050.2 Ų50.246%0.45526%0.262SS..SBendtrans-69.1-21-174.329.3-38.2000114S386 I430 N432S386-P546 VanDerWaalsContact OG-CD 3.24Å; S386-P546 WeakPolarHBondContact OG-CD 3.24Å; S386-P546 VanDerWaalsContact OG-CG 3.26Å; S386-P546 WeakPolarHBondContact OG-CG 3.34Å; I430-P546 WeakPolarHBondContact O-CG 3.31Å; N432-P546 HydrophobicContact CB-CB 4Å; N432-P546 HydrophobicContact CB-CG 3.77Å
547S93.6Very high95.6Very high44 Ų4450.2 Ų50.231%0.30826%0.261SS..SBendtrans-153.3175.9-172.4-168.50000112.1K384 S386 P540 L545K384-S547 WeakPolarHBondContact O-CB 3.41Å; K384-S547 PolarHBondContact O-OG 3.46Å; K384-S547 VanDerWaalsContact O-OG 3.06Å; S386-S547 WeakPolarHBondContact CB-O 3.47Å; S386-S547 PolarHBondContact OG-N 3.02Å; S386-S547 PolarHBondContact OG-O 3.36Å; P540-S547 VanDerWaalsContact CB-O 3.28Å; P540-S547 WeakPolarHBondContact CB-O 3.36Å; P540-S547 VanDerWaalsContact CG-O 3.29Å; P540-S547 WeakPolarHBondContact CG-O 3.39Å; L545-S547 VanDerWaalsContact C-N 3.26Å; L545-S547 PolarHBondContact O-N 3.17Å
548G94.2Very high95.5Very high34 Ų3443.7 Ų43.735%0.35123%0.231SC..PPolyproline II helixtrans-65.7162.5177.800000114S385 S386S385-G548 WeakPolarHBondContact CA-O 3.49Å; S385-G548 WeakPolarHBondContact CB-O 3.31Å; S386-G548 PolarHBondContact N-O 3.1Å
549L98.1Very high95.3Very high14 Ų1440.8 Ų40.87%0.07322%0.215CC..EExtended strand (participates in β ladder)trans-94.5140.7167.5-58.3-178.3000110.4G387 F389 A536 I539 P540 L545G387-L549 WeakPolarHBondContact O-CA 3.42Å; F389-L549 HydrophobicContact CB-CB 4.2Å; F389-L549 HydrophobicContact CB-CD1 4.26Å; F389-L549 HydrophobicContact CD2-CD1 4.49Å; A536-L549 HydrophobicContact CB-CB 4.33Å; I539-L549 HydrophobicContact CB-CD1 4.11Å; I539-L549 HydrophobicContact CD1-CD1 4.28Å; I539-L549 HydrophobicContact CG2-CD1 3.75Å; P540-L549 HydrophobicContact CG-CG 4.1Å; L545-L549 HydrophobicContact CD1-CD2 4.11Å
550L98.3Very high95.2Very high23 Ų2340.9 Ų40.912%0.1222%0.218CC..EExtended strand (participates in β ladder)trans-81.4122.2171.4-66.2169.6000109.7S385 G387 F388 F389 D574 L575S385-L550 WeakPolarHBondContact OG-CG 3.37Å; G387-L550 PolarHBondContact O-N 3.4Å; F388-L550 CarbonylContact C-O 3.54Å; F388-L550 VanDerWaalsContact CA-O 3.29Å; F388-L550 WeakPolarHBondContact CA-O 3.5Å; F388-L550 HydrophobicContact CD1-CB 3.94Å; F388-L550 HydrophobicContact CD1-CD1 4.43Å; F388-L550 HydrophobicContact CE1-CB 4.33Å; F388-L550 HydrophobicContact CE1-CD1 3.99Å; F389-L550 PolarHBondContact N-O 2.96Å; L550-D574 HydrophobicContact CD2-CB 4.36Å; L550-L575 HydrophobicContact CD1-CD1 3.99Å
551V98.6Very high95.2Very high7 Ų740.5 Ų40.54%0.04222%0.215CC..EExtended strand (participates in β ladder)trans-75.7127.7175.9-173.40000109.1F389 Y533 A536 A573 D574 L575F389-V551 HydrophobicContact CD1-CG1 4.47Å; Y533-V551 HydrophobicContact CD1-CG2 3.86Å; Y533-V551 HydrophobicContact CE1-CB 4.22Å; Y533-V551 HydrophobicContact CE1-CG2 3.74Å; Y533-V551 HydrophobicContact CE2-CG1 4.42Å; Y533-V551 HydrophobicContact CE2-CG2 4.49Å; Y533-V551 HydrophobicContact CG-CG2 4.3Å; A536-V551 HydrophobicContact CB-CG2 3.66Å; V551-A573 HydrophobicContact CB-CB 4.31Å; V551-A573 HydrophobicContact CG1-CB 3.97Å; V551-A573 WeakPolarHBondContact O-CB 3.24Å; V551-D574 PolarHBondContact N-OD2 3.43Å; V551-D574 PolarHBondContact O-N 3.29Å; V551-L575 PolarHBondContact O-N 3.27Å
552L98.8Very high95.1Very high5 Ų531.4 Ų31.43%0.02618%0.181CC..EExtended strand (participates in β ladder)trans-101.3132.3177.9-60.7-176.8000111.1L376 F388 F389 L390 V401 V405 L575L376-L552 HydrophobicContact CD2-CD2 3.94Å; F388-L552 HydrophobicContact CB-CD1 3.78Å; F388-L552 HydrophobicContact CB-CG 4.09Å; F388-L552 HydrophobicContact CD1-CD1 3.92Å; F388-L552 HydrophobicContact CD1-CD2 3.75Å; F388-L552 HydrophobicContact CD1-CG 3.95Å; F388-L552 HydrophobicContact CE1-CD2 4.25Å; F388-L552 HydrophobicContact CG-CD1 3.92Å; F388-L552 HydrophobicContact CG-CG 4.31Å; F389-L552 PolarHBondContact O-N 2.83Å; L390-L552 HydrophobicContact CD1-CB 4.21Å; V401-L552 HydrophobicContact CG1-CB 4.03Å; V401-L552 HydrophobicContact CG1-CD1 3.75Å; V405-L552 HydrophobicContact CG2-CD1 3.75Å; L552-L575 WeakPolarHBondContact CA-O 3.32Å; L552-L575 HydrophobicContact CD2-CB 4.03Å
553S97.7Very high95.1Very high0 Ų026.4 Ų26.40%015%0.154CC..PPolyproline II helixtrans-88152.2169.4-173.70000111.3A555 C570 S571 A573 L575 N576S553-A555 PolarHBondContact OG-N 3.32Å; S553-C570 PolarHBondContact OG-O 3.46Å; S553-S571 VanDerWaalsContact OG-C 3.25Å; S553-S571 VanDerWaalsContact OG-CA 3.26Å; S553-S571 WeakPolarHBondContact OG-CA 3.42Å; S553-S571 PolarHBondContact OG-O 2.95Å; S553-S571 VanDerWaalsContact OG-O 3.04Å; S553-A573 VanDerWaalsContact N-CB 3.26Å; S553-L575 PolarHBondContact N-O 3.48Å; S553-N576 PolarHBondContact O-OD1 2.7Å
554S96.7Very high95.1Very high29 Ų2924.3 Ų24.320%0.20315%0.147CC..  trans-117.124.3172.268.60000113.3D397D397-S554 VanDerWaalsContact CB-O 3.27Å; D397-S554 WeakPolarHBondContact CB-O 3.4Å
555A95.2Very high95.2Very high6 Ų618.5 Ų18.55%0.0512%0.116CC..  trans-73.9126.6172.700000110.1S553 N576 G579S553-A555 PolarHBondContact OG-N 3.32Å; A555-N576 PolarHBondContact O-ND2 3.39Å; A555-N576 PolarHBondContact O-OD1 3.09Å; A555-G579 VanDerWaalsContact O-CA 3.3Å; A555-G579 WeakPolarHBondContact O-CA 3.44Å
556N95.6Very high95.4Very high2 Ų217 Ų171%0.01111%0.109CC..  trans-89.3171.71776770.3000112.5D397 D558 E559 G560 K583 L586D397-N556 PolarHBondContact OD2-ND2 3.07Å; N556-D558 PolarHBondContact O-N 2.79Å; N556-D558 PolarHBondContact OD1-N 3.24Å; N556-E559 WeakPolarHBondContact ND2-CG 3.13Å; N556-E559 PolarHBondContact ND2-OE1 2.49Å; N556-E559 PolarHBondContact ND2-OE2 3.04Å; N556-E559 PolarHBondContact OD1-N 3.03Å; N556-G560 PolarHBondContact O-N 2.87Å; N556-G560 VanDerWaalsContact O-N 3.08Å; N556-K583 VanDerWaalsContact ND2-CD 3.34Å; N556-K583 WeakPolarHBondContact ND2-CD 3.43Å; N556-K583 PolarHBondContact ND2-NZ 2.84Å; N556-L586 HydrophobicContact CB-CD1 3.73Å
557L95.8Very high95.7Very high2 Ų216.2 Ų16.21%0.0110%0.098CC..Hα-helixtrans-59.6-46.3-177.8179.6155.6000112.8G560 L561 G579 S580 I581 E729 Y731L557-G560 PolarHBondContact O-N 3.27Å; L557-L561 WeakPolarHBondContact O-CB 3.47Å; L557-L561 PolarHBondContact O-N 3.28Å; L557-G579 WeakPolarHBondContact CA-O 3.39Å; L557-S580 VanDerWaalsContact CD1-O 3.27Å; L557-S580 WeakPolarHBondContact CD1-O 3.45Å; L557-I581 WeakPolarHBondContact CB-O 3.33Å; L557-I581 PolarHBondContact N-O 3.08Å; L557-I581 VanDerWaalsContact N-O 3.11Å; L557-E729 HydrophobicContact CD1-CB 3.6Å; L557-E729 HydrophobicContact CD1-CG 4.04Å; L557-Y731 HydrophobicContact CD1-CD2 4.31Å; L557-Y731 HydrophobicContact CD1-CE1 4.48Å; L557-Y731 HydrophobicContact CD1-CE2 4.1Å; L557-Y731 HydrophobicContact CD2-CD2 3.71Å; L557-Y731 HydrophobicContact CD2-CE2 3.18Å; L557-Y731 HydrophobicContact CG-CE2 4.32Å
558D94.9Very high95.8Very high0 Ų019.7 Ų19.70%011%0.105CC..Hα-helixtrans-70-41-170.4-61.1-58.9000111.1N556 L561 R562 S582 K583 Y646 L649N556-D558 PolarHBondContact O-N 2.79Å; N556-D558 PolarHBondContact OD1-N 3.24Å; D558-L561 PolarHBondContact O-N 2.9Å; D558-R562 WeakPolarHBondContact O-CB 3.3Å; D558-R562 PolarHBondContact O-N 3.26Å; D558-S582 WeakPolarHBondContact OD2-CA 3.43Å; D558-K583 PolarHBondContact OD2-N 3.06Å; D558-Y646 HydrophobicContact CB-CD1 3.86Å; D558-Y646 HydrophobicContact CB-CE1 4.23Å; D558-L649 HydrophobicContact CB-CB 4.29Å; D558-L649 HydrophobicContact CB-CD1 4.35Å
559E93.3Very high95.9Very high23 Ų2319.1 Ų19.111%0.1079%0.094CC..Hα-helixtrans-63.8-41.9172.3-71.6173-156.100111.5N556 R562 G563 Y564 K583 Y646N556-E559 WeakPolarHBondContact ND2-CG 3.13Å; N556-E559 PolarHBondContact ND2-OE1 2.49Å; N556-E559 PolarHBondContact ND2-OE2 3.04Å; N556-E559 PolarHBondContact OD1-N 3.03Å; E559-R562 PolarHBondContact O-N 2.8Å; E559-G563 CarbonylContact O-C 3.56Å; E559-G563 VanDerWaalsContact O-CA 3.27Å; E559-G563 WeakPolarHBondContact O-CA 3.47Å; E559-G563 PolarHBondContact O-N 2.86Å; E559-Y564 HydrophobicContact CG-CD1 4.2Å; E559-Y564 PolarHBondContact O-N 3.16Å; E559-K583 IonicContact OE1-NZ 2.75Å; E559-K583 PolarHBondContact OE1-NZ 2.78Å; E559-Y646 HydrophobicContact CG-CE1 4.24Å; E559-Y646 PolarHBondContact OE1-OH 3.47Å; E559-Y646 VanDerWaalsContact OE1-OH 3.05Å
560G94.1Very high95.8Very high10 Ų1019.8 Ų19.810%0.10310%0.1CC..Hα-helixtrans-60.9-43.2174.400000112.7N556 L557 G563N556-G560 PolarHBondContact O-N 2.87Å; N556-G560 VanDerWaalsContact O-N 3.08Å; L557-G560 PolarHBondContact O-N 3.27Å; G560-G563 PolarHBondContact O-N 2.76Å
561L94.8Very high95.6Very high5 Ų519.1 Ų19.13%0.02610%0.097CC..Hα-helixtrans-65.5-44.5178.117864.3000112L557 D558 G563 G653 F708 Y712 A733L557-L561 WeakPolarHBondContact O-CB 3.47Å; L557-L561 PolarHBondContact O-N 3.28Å; D558-L561 PolarHBondContact O-N 2.9Å; L561-G563 VanDerWaalsContact C-N 3.26Å; L561-G653 VanDerWaalsContact CD2-CA 3.47Å; L561-F708 HydrophobicContact CD2-CE2 4.03Å; L561-F708 HydrophobicContact CD2-CZ 4.24Å; L561-F708 HydrophobicContact CG-CE2 4.21Å; L561-F708 HydrophobicContact CG-CZ 4.43Å; L561-Y712 HydrophobicContact CD1-CD2 4.09Å; L561-Y712 HydrophobicContact CD1-CE2 4.16Å; L561-A733 HydrophobicContact CB-CB 4.14Å; L561-A733 HydrophobicContact CD1-CB 4.06Å
562R94.8Very high95.4Very high9 Ų919.6 Ų19.63%0.03410%0.1CC..Hα-helixtrans-73.3-21.8176.7-17951.8-177.468.35.2112.8D558 E559 Y564 M642 L649 F711 N715D558-R562 WeakPolarHBondContact O-CB 3.3Å; D558-R562 PolarHBondContact O-N 3.26Å; E559-R562 PolarHBondContact O-N 2.8Å; R562-Y564 VanDerWaalsContact C-N 3.34Å; R562-M642 HydrophobicContact CB-SD 4.39Å; R562-M642 HydrophobicContact CG-CG 4.22Å; R562-M642 HydrophobicContact CG-SD 3.88Å; R562-M642 PolarHBondContact NH2-O 2.97Å; R562-M642 VanDerWaalsContact NH2-O 3.07Å; R562-L649 HydrophobicContact CB-CD1 4.27Å; R562-L649 HydrophobicContact CB-CD2 3.91Å; R562-L649 HydrophobicContact CG-CD2 4.19Å; R562-F711 VanDerWaalsContact CZ-CD2 3.49Å; R562-F711 VanDerWaalsContact NH2-CE2 3.26Å; R562-N715 PolarHBondContact NH1-ND2 3.38Å; R562-N715 PolarHBondContact O-ND2 3.09Å; R562-N715 VanDerWaalsContact O-ND2 3.14Å
563G93.8Very high95.3Very high2 Ų220 Ų202%0.02110%0.104CC..THydrogen-bonded Turntrans6733.2-170.200000113.4E559 G560 L561 L565 K718E559-G563 CarbonylContact O-C 3.56Å; E559-G563 VanDerWaalsContact O-CA 3.27Å; E559-G563 WeakPolarHBondContact O-CA 3.47Å; E559-G563 PolarHBondContact O-N 2.86Å; G560-G563 PolarHBondContact O-N 2.76Å; L561-G563 VanDerWaalsContact C-N 3.26Å; G563-L565 PolarHBondContact O-N 3.05Å; G563-L565 VanDerWaalsContact O-N 3.1Å; G563-K718 PolarHBondContact O-NZ 3.1Å
564Y94.2Very high95.3Very high39 Ų3922.5 Ų22.515%0.15312%0.118CC..  trans-83.368.8175.4-175.5-109.2000110.2E559 R562 D638 E641 M642E559-Y564 HydrophobicContact CG-CD1 4.2Å; E559-Y564 PolarHBondContact O-N 3.16Å; R562-Y564 VanDerWaalsContact C-N 3.34Å; Y564-D638 HydrophobicContact CE1-CB 3.76Å; Y564-D638 PolarHBondContact OH-OD1 3.39Å; Y564-E641 HydrophobicContact CE2-CB 3.95Å; Y564-E641 HydrophobicContact CE2-CG 3.8Å; Y564-E641 PolarHBondContact OH-OE2 2.94Å; Y564-E641 VanDerWaalsContact OH-OE2 3.13Å; Y564-M642 HydrophobicContact CD1-CG 4.01Å; Y564-M642 HydrophobicContact CD1-SD 3.84Å; Y564-M642 HydrophobicContact CD2-CG 3.55Å; Y564-M642 HydrophobicContact CD2-SD 4.33Å; Y564-M642 HydrophobicContact CE1-CG 4.44Å; Y564-M642 HydrophobicContact CE2-CG 4.04Å; Y564-M642 HydrophobicContact CG-CG 3.52Å; Y564-M642 HydrophobicContact CG-SD 3.67Å
565L94.3Very high95.4Very high21 Ų2121.7 Ų21.711%0.1111%0.111CC..SBendtrans-157.5155.2179.355.693.1000110G563 K718 L722G563-L565 PolarHBondContact O-N 3.05Å; G563-L565 VanDerWaalsContact O-N 3.1Å; L565-K718 HydrophobicContact CD1-CB 4.07Å; L565-K718 HydrophobicContact CD1-CD 3.86Å; L565-K718 HydrophobicContact CD1-CG 4.45Å; L565-K718 HydrophobicContact CG-CD 4.29Å; L565-K718 PolarHBondContact O-NZ 3.33Å; L565-L722 HydrophobicContact CD1-CD2 4.39Å; L565-L722 HydrophobicContact CD2-CD1 4.38Å; L565-L722 HydrophobicContact CD2-CD2 3.85Å
566T95.7Very high95.5Very high13 Ų1321.7 Ų21.78%0.0811%0.11CC..  trans-83.7126.1173.7-57.80000109.1N522 A525 R526 Y568 D569N522-T566 HydrophobicContact CB-CG2 3.86Å; N522-T566 VanDerWaalsContact OD1-CG2 3.31Å; N522-T566 WeakPolarHBondContact OD1-CG2 3.43Å; N522-T566 PolarHBondContact OD1-OG1 3.27Å; A525-T566 HydrophobicContact CB-CG2 4.26Å; R526-T566 HydrophobicContact CG-CG2 4.09Å; T566-Y568 PolarHBondContact O-N 3.11Å; T566-Y568 VanDerWaalsContact O-N 3.09Å; T566-D569 WeakPolarHBondContact CA-OD2 3.26Å; T566-D569 WeakPolarHBondContact CB-OD2 3.23Å; T566-D569 HydrophobicContact CG2-CB 4.34Å; T566-D569 PolarHBondContact N-OD2 3.24Å; T566-D569 PolarHBondContact O-N 3.19Å
567K96.7Very high95.6Very high53 Ų5321.6 Ų21.623%0.2311%0.11CC..THydrogen-bonded Turntrans-59.6121.2175.3-155.3-179.6-169-174.20109.3R526 H717 I721R526-K567 PolarHBondContact NE-O 2.99Å; R526-K567 VanDerWaalsContact NE-O 3.09Å; K567-H717 WeakPolarHBondContact CE-O 3.4Å; K567-H717 PolarHBondContact NZ-O 3.08Å; K567-I721 HydrophobicContact CD-CD1 4.36Å; K567-I721 HydrophobicContact CG-CD1 3.41Å; K567-I721 VanDerWaalsContact CG-CD1 3.41Å; K567-I721 HydrophobicContact CG-CG1 4Å
568Y96.6Very high95.7Very high116 Ų11621.5 Ų21.546%0.45511%0.109SC..THydrogen-bonded Turntrans68.535.4-174.9-46.2-67.3000115.7R526 M529 T566 I721R526-Y568 WeakPolarHBondContact CG-O 3.08Å; M529-Y568 WeakPolarHBondContact CE-O 3.34Å; T566-Y568 PolarHBondContact O-N 3.11Å; T566-Y568 VanDerWaalsContact O-N 3.09Å; Y568-I721 HydrophobicContact CD1-CD1 3.67Å; Y568-I721 HydrophobicContact CE1-CB 4.22Å; Y568-I721 HydrophobicContact CE1-CD1 3.59Å; Y568-I721 HydrophobicContact CE1-CG1 4.41Å; Y568-I721 HydrophobicContact CE1-CG2 4.21Å; Y568-I721 HydrophobicContact CG-CD1 4.27Å
569D95.7Very high95.8Very high22 Ų2222.2 Ų22.212%0.11812%0.117CC..SBendtrans-96-162.616069.36.4000111.4A525 T566 S571 S572A525-D569 HydrophobicContact CB-CB 3.6Å; A525-D569 WeakPolarHBondContact O-CB 3.06Å; T566-D569 WeakPolarHBondContact CA-OD2 3.26Å; T566-D569 WeakPolarHBondContact CB-OD2 3.23Å; T566-D569 HydrophobicContact CG2-CB 4.34Å; T566-D569 PolarHBondContact N-OD2 3.24Å; T566-D569 PolarHBondContact O-N 3.19Å; D569-S571 PolarHBondContact O-N 3.13Å; D569-S571 VanDerWaalsContact O-N 3.08Å; D569-S571 WeakPolarHBondContact OD1-CA 3.45Å; D569-S571 WeakPolarHBondContact OD1-CB 3.26Å; D569-S571 PolarHBondContact OD1-N 3.2Å; D569-S571 PolarHBondContact OD1-OG 2.93Å; D569-S572 WeakPolarHBondContact O-CA 3.34Å; D569-S572 VanDerWaalsContact O-CB 3.3Å; D569-S572 WeakPolarHBondContact O-CB 3.46Å; D569-S572 PolarHBondContact O-N 3.17Å
570C96.3Very high96Very high29 Ų2921.1 Ų21.120%0.19611%0.111CC..THydrogen-bonded Turntrans-66.2-1.5177.5-60.20000114.6C391 S553 S572C391-C570 VanDerWaalsContact SG-SG 3.69Å; S553-C570 PolarHBondContact OG-O 3.46Å; C570-S572 PolarHBondContact O-N 3.02Å
571S94.4Very high96.1Very high8 Ų820.6 Ų20.66%0.05611%0.107CC..THydrogen-bonded Turntrans-67-19.3160.567.10000112.2S553 D569 P723S553-S571 VanDerWaalsContact OG-C 3.25Å; S553-S571 VanDerWaalsContact OG-CA 3.26Å; S553-S571 WeakPolarHBondContact OG-CA 3.42Å; S553-S571 PolarHBondContact OG-O 2.95Å; S553-S571 VanDerWaalsContact OG-O 3.04Å; D569-S571 PolarHBondContact O-N 3.13Å; D569-S571 VanDerWaalsContact O-N 3.08Å; D569-S571 WeakPolarHBondContact OD1-CA 3.45Å; D569-S571 WeakPolarHBondContact OD1-CB 3.26Å; D569-S571 PolarHBondContact OD1-N 3.2Å; D569-S571 PolarHBondContact OD1-OG 2.93Å; S571-P723 WeakPolarHBondContact O-CD 3.24Å; S571-P723 WeakPolarHBondContact O-CG 3.35Å
572S94.6Very high96.1Very high17 Ų1720.4 Ų20.412%0.11911%0.106CC..  trans-97.9130.8170.3-49.80000109.3D569 C570D569-S572 WeakPolarHBondContact O-CA 3.34Å; D569-S572 VanDerWaalsContact O-CB 3.3Å; D569-S572 WeakPolarHBondContact O-CB 3.46Å; D569-S572 PolarHBondContact O-N 3.17Å; C570-S572 PolarHBondContact O-N 3.02Å
573A97.1Very high96Very high13 Ų1320.3 Ų20.311%0.10711%0.105CC..SBendtrans-159.4-168.218000000109.5Y533 V551 S553 P723Y533-A573 VanDerWaalsContact OH-CA 3.23Å; Y533-A573 WeakPolarHBondContact OH-CA 3.27Å; V551-A573 HydrophobicContact CB-CB 4.31Å; V551-A573 HydrophobicContact CG1-CB 3.97Å; V551-A573 WeakPolarHBondContact O-CB 3.24Å; S553-A573 VanDerWaalsContact N-CB 3.26Å; A573-P723 VanDerWaalsContact O-CB 3.26Å; A573-P723 WeakPolarHBondContact O-CB 3.27Å
574D97.6Very high96Very high54 Ų5422.1 Ų22.129%0.28912%0.117SC..SBendtrans-79.9-42.7174.5-54.8-31.8000110.4Y533 L550 V551 P724Y533-D574 WeakPolarHBondContact CE1-OD1 3.46Å; Y533-D574 PolarHBondContact OH-N 2.91Å; Y533-D574 PolarHBondContact OH-OD1 3.03Å; L550-D574 HydrophobicContact CD2-CB 4.36Å; V551-D574 PolarHBondContact N-OD2 3.43Å; V551-D574 PolarHBondContact O-N 3.29Å; D574-P724 WeakPolarHBondContact O-CD 3.48Å
575L97.9Very high96.1Very high12 Ų1220.8 Ų20.86%0.06311%0.113CC..BIsolated β-bridgetrans-138.3151.6-178.6-58.5174.4000111.3W375 L376 N379 L550 V551 L552 S553 P724W375-L575 HydrophobicContact CH2-CB 3.89Å; W375-L575 HydrophobicContact CH2-CD1 4.48Å; W375-L575 HydrophobicContact CH2-CD2 3.67Å; W375-L575 HydrophobicContact CH2-CG 4.22Å; W375-L575 HydrophobicContact CZ2-CD2 4.11Å; W375-L575 HydrophobicContact CZ3-CB 4.03Å; W375-L575 HydrophobicContact CZ3-CD2 4.45Å; L376-L575 HydrophobicContact CD2-CD1 4.28Å; N379-L575 HydrophobicContact CB-CD1 3.73Å; L550-L575 HydrophobicContact CD1-CD1 3.99Å; V551-L575 PolarHBondContact O-N 3.27Å; L552-L575 WeakPolarHBondContact CA-O 3.32Å; L552-L575 HydrophobicContact CD2-CB 4.03Å; S553-L575 PolarHBondContact N-O 3.48Å; L575-P724 CarbonylContact C-O 3.58Å; L575-P724 HydrophobicContact CD2-CB 4.26Å
576N97.9Very high96.2Very high5 Ų519.8 Ų19.83%0.02711%0.108CC..BIsolated β-bridgetrans-131.399.2174.2-173.4-9.5000111.8S553 A555 I578 G579 P723 P724 A725 Y726S553-N576 PolarHBondContact O-OD1 2.7Å; A555-N576 PolarHBondContact O-ND2 3.39Å; A555-N576 PolarHBondContact O-OD1 3.09Å; N576-I578 PolarHBondContact O-N 2.85Å; N576-I578 WeakPolarHBondContact OD1-CG1 3.44Å; N576-I578 PolarHBondContact OD1-N 3.49Å; N576-G579 VanDerWaalsContact CG-N 3.34Å; N576-G579 VanDerWaalsContact ND2-CA 3.3Å; N576-G579 WeakPolarHBondContact ND2-CA 3.34Å; N576-G579 PolarHBondContact OD1-N 3.07Å; N576-P723 HydrophobicContact CB-CG 3.84Å; N576-P724 PolarHBondContact N-O 3.49Å; N576-A725 HydrophobicContact CB-CB 4.18Å; N576-A725 CarbonylContact O-C 3.42Å; N576-A725 WeakPolarHBondContact O-CA 3.12Å; N576-Y726 PolarHBondContact O-N 2.99Å
577P98.1Very high96.2Very high0 Ų022.9 Ų22.90%012%0.118CC..THydrogen-bonded Turntrans-72.7-12.6-177.728.9-33.4000113.9P372 L376 V401 I404P372-P577 HydrophobicContact CB-CB 4.28Å; L376-P577 HydrophobicContact CD1-CB 4.03Å; L376-P577 HydrophobicContact CD1-CG 4.23Å; L376-P577 HydrophobicContact CD2-CB 4.27Å; L376-P577 HydrophobicContact CG-CB 4.2Å; V401-P577 HydrophobicContact CB-CG 4.48Å; V401-P577 HydrophobicContact CG1-CG 3.8Å; V401-P577 HydrophobicContact CG2-CG 4.16Å; I404-P577 HydrophobicContact CD1-CB 4.35Å; I404-P577 HydrophobicContact CG2-CB 4.43Å
578I97.8Very high96.2Very high0 Ų024.9 Ų24.90%013%0.131CC..THydrogen-bonded Turntrans-116.62.5-178.864.9166.2000113.7D397 V401 I404 N576 S580 I581 L586D397-I578 HydrophobicContact CB-CD1 3.84Å; V401-I578 HydrophobicContact CG2-CD1 3.73Å; V401-I578 HydrophobicContact CG2-CG1 3.83Å; V401-I578 HydrophobicContact CG2-CG2 4.07Å; I404-I578 HydrophobicContact CD1-CG2 3.45Å; I404-I578 VanDerWaalsContact CD1-CG2 3.45Å; N576-I578 PolarHBondContact O-N 2.85Å; N576-I578 WeakPolarHBondContact OD1-CG1 3.44Å; N576-I578 PolarHBondContact OD1-N 3.49Å; I578-S580 PolarHBondContact O-N 3.02Å; I578-I581 HydrophobicContact CB-CD1 4.44Å; I578-I581 HydrophobicContact CG2-CD1 4.29Å; I578-I581 PolarHBondContact O-N 3.33Å; I578-L586 HydrophobicContact CB-CD2 4.08Å; I578-L586 HydrophobicContact CD1-CD1 3.99Å; I578-L586 HydrophobicContact CG2-CD2 3.87Å
579G96.5Very high96.3Very high15 Ų1519.3 Ų19.316%0.15511%0.109CC..THydrogen-bonded Turntrans-64.1-15-172.900000115.1A555 L557 N576A555-G579 VanDerWaalsContact O-CA 3.3Å; A555-G579 WeakPolarHBondContact O-CA 3.44Å; L557-G579 WeakPolarHBondContact CA-O 3.39Å; N576-G579 VanDerWaalsContact CG-N 3.34Å; N576-G579 VanDerWaalsContact ND2-CA 3.3Å; N576-G579 WeakPolarHBondContact ND2-CA 3.34Å; N576-G579 PolarHBondContact OD1-N 3.07Å
580S96.2Very high96.4Very high0 Ų018.3 Ų18.30%010%0.103CC..THydrogen-bonded Turntrans-111.710.1173.1-162.20000113.6L557 I578 Y726 T728 E729 S732L557-S580 VanDerWaalsContact CD1-O 3.27Å; L557-S580 WeakPolarHBondContact CD1-O 3.45Å; I578-S580 PolarHBondContact O-N 3.02Å; S580-Y726 WeakPolarHBondContact CB-O 3.32Å; S580-T728 VanDerWaalsContact C-OG1 3.25Å; S580-T728 WeakPolarHBondContact CB-OG1 3.21Å; S580-T728 PolarHBondContact O-OG1 3.42Å; S580-T728 PolarHBondContact OG-N 3.26Å; S580-E729 WeakPolarHBondContact O-CB 3.41Å; S580-E729 WeakPolarHBondContact O-CG 3.26Å; S580-E729 PolarHBondContact O-N 2.95Å; S580-E729 PolarHBondContact OG-N 3.2Å; S580-S732 WeakPolarHBondContact OG-CB 3.48Å; S580-S732 PolarHBondContact OG-OG 2.91Å
581I97.2Very high96.5Very high0 Ų018.1 Ų18.10%010%0.104CC..SBendtrans-105135.2-178.5-55.2175.2000109.7I368 P372 L557 I578 D585 L586 T728I368-I581 HydrophobicContact CD1-CG2 3.8Å; I368-I581 HydrophobicContact CG1-CD1 4.09Å; I368-I581 HydrophobicContact CG1-CG2 4.42Å; I368-I581 HydrophobicContact CG2-CD1 3.85Å; P372-I581 HydrophobicContact CG-CD1 4.21Å; L557-I581 WeakPolarHBondContact CB-O 3.33Å; L557-I581 PolarHBondContact N-O 3.08Å; L557-I581 VanDerWaalsContact N-O 3.11Å; I578-I581 HydrophobicContact CB-CD1 4.44Å; I578-I581 HydrophobicContact CG2-CD1 4.29Å; I578-I581 PolarHBondContact O-N 3.33Å; I581-D585 HydrophobicContact CG2-CB 3.89Å; I581-L586 HydrophobicContact CB-CD2 4.09Å; I581-L586 HydrophobicContact CB-CG 4.41Å; I581-L586 HydrophobicContact CG2-CD2 3.68Å; I581-L586 HydrophobicContact CG2-CG 3.88Å; I581-T728 HydrophobicContact CG1-CG2 4.36Å
582S94.9Very high96.7Very high1 Ų119.6 Ų19.61%0.00711%0.109CC..  trans-69.9150.6178.882.40000112.1D558 S584 D585 L586 Y731D558-S582 WeakPolarHBondContact OD2-CA 3.43Å; S582-S584 PolarHBondContact O-N 3.47Å; S582-D585 PolarHBondContact O-N 3.25Å; S582-D585 VanDerWaalsContact O-N 3.12Å; S582-D585 WeakPolarHBondContact OG-CB 3.35Å; S582-D585 VanDerWaalsContact OG-CG 3.25Å; S582-D585 PolarHBondContact OG-N 3.44Å; S582-D585 PolarHBondContact OG-OD2 3.32Å; S582-L586 WeakPolarHBondContact O-CG 3.28Å; S582-L586 PolarHBondContact O-N 3.25Å; S582-Y731 WeakPolarHBondContact CB-OH 3.41Å
583K93.3Very high96.9Very high7 Ų718.8 Ų18.83%0.0310%0.103CC..Hα-helixtrans-58.3-36.1175.5-159.583.3166.6-163.40111.5L396 D397 N556 D558 E559 L586 R587 Y646L396-K583 HydrophobicContact CD2-CD 4.28Å; L396-K583 HydrophobicContact CD2-CG 4.33Å; D397-K583 WeakPolarHBondContact OD1-CD 3.38Å; D397-K583 WeakPolarHBondContact OD1-CE 3.5Å; D397-K583 IonicContact OD1-NZ 3.81Å; D397-K583 PolarHBondContact OD1-NZ 3.2Å; D397-K583 IonicContact OD2-NZ 3.59Å; D397-K583 PolarHBondContact OD2-NZ 3.49Å; N556-K583 VanDerWaalsContact ND2-CD 3.34Å; N556-K583 WeakPolarHBondContact ND2-CD 3.43Å; N556-K583 PolarHBondContact ND2-NZ 2.84Å; D558-K583 PolarHBondContact OD2-N 3.06Å; E559-K583 IonicContact OE1-NZ 2.75Å; E559-K583 PolarHBondContact OE1-NZ 2.78Å; K583-L586 PolarHBondContact O-N 2.84Å; K583-R587 WeakPolarHBondContact O-CG 3.45Å; K583-R587 PolarHBondContact O-N 3.45Å; K583-Y646 HydrophobicContact CB-CD1 3.42Å; K583-Y646 VanDerWaalsContact CB-CD1 3.42Å; K583-Y646 HydrophobicContact CB-CD2 4.47Å; K583-Y646 HydrophobicContact CB-CE1 3.83Å; K583-Y646 HydrophobicContact CB-CG 3.78Å; K583-Y646 HydrophobicContact CD-CD1 4.2Å; K583-Y646 HydrophobicContact CD-CE1 3.71Å; K583-Y646 HydrophobicContact CD-CE2 4.34Å; K583-Y646 HydrophobicContact CG-CD1 3.67Å; K583-Y646 HydrophobicContact CG-CD2 4Å; K583-Y646 HydrophobicContact CG-CE1 3.7Å; K583-Y646 HydrophobicContact CG-CE2 4.05Å; K583-Y646 HydrophobicContact CG-CG 3.81Å; K583-Y646 PolarHBondContact NZ-OH 3.04Å
584S92.6Very high96.9Very high39 Ų3918.2 Ų18.227%0.27310%0.099SC..Hα-helixtrans-64.5-41.7177.2-600000111.7S582 R587 L588S582-S584 PolarHBondContact O-N 3.47Å; S584-R587 WeakPolarHBondContact O-CB 3.47Å; S584-R587 PolarHBondContact O-N 3.06Å; S584-L588 PolarHBondContact O-N 3.33Å
585D95.8Very high96.9Very high12 Ų1223 Ų236%0.06412%0.119CC..Hα-helixtrans-73.8-32.4176.4-68.6-50.6000112.9R229 I368 I581 S582 R587 L588 F589 E729R229-D585 IonicContact CZ-OD1 2.83Å; R229-D585 IonicContact CZ-OD2 3.23Å; R229-D585 IonicContact NH2-OD1 3.06Å; R229-D585 PolarHBondContact NH2-OD1 3.2Å; R229-D585 IonicContact NH2-OD2 2.75Å; R229-D585 PolarHBondContact NH2-OD2 2.86Å; I368-D585 HydrophobicContact CD1-CB 3.83Å; I581-D585 HydrophobicContact CG2-CB 3.89Å; S582-D585 PolarHBondContact O-N 3.25Å; S582-D585 VanDerWaalsContact O-N 3.12Å; S582-D585 WeakPolarHBondContact OG-CB 3.35Å; S582-D585 VanDerWaalsContact OG-CG 3.25Å; S582-D585 PolarHBondContact OG-N 3.44Å; S582-D585 PolarHBondContact OG-OD2 3.32Å; D585-R587 VanDerWaalsContact C-N 3.28Å; D585-R587 PolarHBondContact O-N 2.94Å; D585-L588 PolarHBondContact O-N 3.47Å; D585-F589 VanDerWaalsContact O-CB 3.31Å; D585-F589 WeakPolarHBondContact O-CB 3.29Å; D585-F589 PolarHBondContact O-N 3.12Å; D585-E729 VanDerWaalsContact OD2-OE1 3.11Å
586L97.1Very high96.8Very high0 Ų024.3 Ų24.30%013%0.128CC..Hα-helixtrans-61.2-38.3171.1-67.1176.9000111.4L396 A400 N556 I578 I581 S582 K583 F589 I590L396-L586 HydrophobicContact CD2-CB 4.29Å; A400-L586 HydrophobicContact CB-CD2 3.79Å; N556-L586 HydrophobicContact CB-CD1 3.73Å; I578-L586 HydrophobicContact CB-CD2 4.08Å; I578-L586 HydrophobicContact CD1-CD1 3.99Å; I578-L586 HydrophobicContact CG2-CD2 3.87Å; I581-L586 HydrophobicContact CB-CD2 4.09Å; I581-L586 HydrophobicContact CB-CG 4.41Å; I581-L586 HydrophobicContact CG2-CD2 3.68Å; I581-L586 HydrophobicContact CG2-CG 3.88Å; S582-L586 WeakPolarHBondContact O-CG 3.28Å; S582-L586 PolarHBondContact O-N 3.25Å; K583-L586 PolarHBondContact O-N 2.84Å; L586-F589 PolarHBondContact O-N 2.89Å; L586-I590 WeakPolarHBondContact O-CG1 3.48Å; L586-I590 PolarHBondContact O-N 3.45Å
587R96.3Very high96.7Very high77 Ų7724.6 Ų24.629%0.29113%0.129SC..Hα-helixtrans-62.4-46.5173.1-74.7-173.8144.498.30.1112.2L396 K583 S584 D585 F589 I590 A591 L617L396-R587 HydrophobicContact CD1-CG 4.32Å; L396-R587 HydrophobicContact CD2-CG 3.57Å; K583-R587 WeakPolarHBondContact O-CG 3.45Å; K583-R587 PolarHBondContact O-N 3.45Å; S584-R587 WeakPolarHBondContact O-CB 3.47Å; S584-R587 PolarHBondContact O-N 3.06Å; D585-R587 VanDerWaalsContact C-N 3.28Å; D585-R587 PolarHBondContact O-N 2.94Å; R587-F589 VanDerWaalsContact C-N 3.3Å; R587-F589 PolarHBondContact O-N 2.93Å; R587-I590 PolarHBondContact O-N 2.85Å; R587-A591 PolarHBondContact O-N 3.39Å; R587-L617 HydrophobicContact CB-CD1 3.86Å; R587-L617 HydrophobicContact CG-CD1 3.94Å; R587-L617 WeakPolarHBondContact O-CD1 3.38Å
588L97Very high96.5Very high95 Ų9526.1 Ų26.150%0.49714%0.138SC..Hα-helixtrans-62.3-39.7176.5-65.6174.9000111.5P365 S584 D585 A591 Y592P365-L588 HydrophobicContact CG-CB 3.94Å; S584-L588 PolarHBondContact O-N 3.33Å; D585-L588 PolarHBondContact O-N 3.47Å; L588-A591 PolarHBondContact O-N 3.4Å; L588-Y592 WeakPolarHBondContact O-CB 3.43Å; L588-Y592 PolarHBondContact O-N 3.34Å
589F98.4Very high96.3Very high0 Ų031.4 Ų31.40%018%0.176CC..Hα-helixtrans-62.9-46.6175.9171.9-115.8000112.7I368 A400 C403 I404 D585 L586 R587 A591 Y592 C593I368-F589 HydrophobicContact CB-CB 4.45Å; I368-F589 HydrophobicContact CB-CD2 3.99Å; I368-F589 HydrophobicContact CB-CG 4.25Å; I368-F589 HydrophobicContact CD1-CB 4.34Å; I368-F589 HydrophobicContact CG2-CB 4Å; I368-F589 HydrophobicContact CG2-CD1 3.89Å; I368-F589 HydrophobicContact CG2-CD2 3.58Å; I368-F589 HydrophobicContact CG2-CE1 4.26Å; I368-F589 HydrophobicContact CG2-CE2 3.98Å; I368-F589 HydrophobicContact CG2-CG 3.53Å; I368-F589 HydrophobicContact CG2-CZ 4.3Å; A400-F589 HydrophobicContact CB-CD1 4.07Å; A400-F589 HydrophobicContact CB-CE1 4.18Å; C403-F589 HydrophobicContact CB-CE1 3.8Å; C403-F589 HydrophobicContact CB-CZ 3.92Å; I404-F589 HydrophobicContact CD1-CE1 4.46Å; I404-F589 HydrophobicContact CG1-CE1 3.83Å; I404-F589 HydrophobicContact CG1-CZ 3.76Å; D585-F589 VanDerWaalsContact O-CB 3.31Å; D585-F589 WeakPolarHBondContact O-CB 3.29Å; D585-F589 PolarHBondContact O-N 3.12Å; L586-F589 PolarHBondContact O-N 2.89Å; R587-F589 VanDerWaalsContact C-N 3.3Å; R587-F589 PolarHBondContact O-N 2.93Å; F589-A591 VanDerWaalsContact C-N 3.34Å; F589-A591 PolarHBondContact O-N 3.18Å; F589-Y592 HydrophobicContact CD2-CD1 4.42Å; F589-Y592 WeakPolarHBondContact O-CB 3.42Å; F589-Y592 PolarHBondContact O-N 2.88Å; F589-Y592 VanDerWaalsContact O-N 3.17Å; F589-C593 WeakPolarHBondContact CE2-SG 3.36Å; F589-C593 WeakPolarHBondContact CZ-SG 3.4Å; F589-C593 PolarHBondContact O-N 3.04Å; F589-C593 PolarHBondContact O-SG 3.25Å; F589-C593 VanDerWaalsContact O-SG 3.38Å
590I98.3Very high95.9Very high0 Ų033.7 Ų33.70%019%0.189CC..Hα-helixtrans-64.5-39.5177.3-68.1-51.1000111.8L396 T399 A400 C403 L586 R587 Y592 C593 A594 L613 L617L396-I590 HydrophobicContact CD1-CB 4.14Å; L396-I590 HydrophobicContact CD1-CG1 3.75Å; L396-I590 HydrophobicContact CD1-CG2 4.44Å; T399-I590 HydrophobicContact CG2-CD1 3.85Å; A400-I590 HydrophobicContact CB-CD1 4Å; A400-I590 HydrophobicContact CB-CG1 4.38Å; C403-I590 HydrophobicContact CB-CD1 4.25Å; L586-I590 WeakPolarHBondContact O-CG1 3.48Å; L586-I590 PolarHBondContact O-N 3.45Å; R587-I590 PolarHBondContact O-N 2.85Å; I590-Y592 VanDerWaalsContact C-N 3.3Å; I590-Y592 PolarHBondContact O-N 3.23Å; I590-C593 PolarHBondContact O-N 3.42Å; I590-A594 WeakPolarHBondContact O-CB 3.32Å; I590-A594 PolarHBondContact O-N 2.99Å; I590-L613 HydrophobicContact CG2-CB 4.22Å; I590-L613 HydrophobicContact CG2-CD2 4.27Å; I590-L617 HydrophobicContact CB-CD1 4.39Å; I590-L617 HydrophobicContact CG2-CB 4.43Å; I590-L617 HydrophobicContact CG2-CD1 4.37Å
591A98.1Very high95.6Very high25 Ų2535.2 Ų35.221%0.20720%0.196CC..Hα-helixtrans-60.6-41.3173.500000111.8R587 L588 F589 A594 Q595 L617R587-A591 PolarHBondContact O-N 3.39Å; L588-A591 PolarHBondContact O-N 3.4Å; F589-A591 VanDerWaalsContact C-N 3.34Å; F589-A591 PolarHBondContact O-N 3.18Å; A591-A594 PolarHBondContact O-N 2.98Å; A591-Q595 WeakPolarHBondContact O-CG 3.4Å; A591-Q595 PolarHBondContact O-N 3.49Å; A591-L617 HydrophobicContact CB-CD2 3.99Å
592Y98.1Very high95.4Very high39 Ų3939.1 Ų39.115%0.15322%0.217CC..Hα-helixtrans-63.2-44.8173.8168.1-94.3000112.3P365 E366 L588 F589 I590 A594 Q595 T596P365-Y592 VanDerWaalsContact CB-CB 3.47Å; P365-Y592 HydrophobicContact CB-CD1 4.13Å; P365-Y592 HydrophobicContact CB-CD2 4.12Å; P365-Y592 HydrophobicContact CB-CG 3.64Å; E366-Y592 HydrophobicContact CG-CD2 4.4Å; E366-Y592 HydrophobicContact CG-CE1 4.48Å; E366-Y592 HydrophobicContact CG-CE2 3.55Å; L588-Y592 WeakPolarHBondContact O-CB 3.43Å; L588-Y592 PolarHBondContact O-N 3.34Å; F589-Y592 HydrophobicContact CD2-CD1 4.42Å; F589-Y592 WeakPolarHBondContact O-CB 3.42Å; F589-Y592 PolarHBondContact O-N 2.88Å; F589-Y592 VanDerWaalsContact O-N 3.17Å; I590-Y592 VanDerWaalsContact C-N 3.3Å; I590-Y592 PolarHBondContact O-N 3.23Å; Y592-A594 VanDerWaalsContact C-N 3.31Å; Y592-A594 PolarHBondContact O-N 3.38Å; Y592-Q595 PolarHBondContact O-N 2.9Å; Y592-Q595 VanDerWaalsContact O-N 3.1Å; Y592-T596 HydrophobicContact CD2-CG2 3.89Å; Y592-T596 HydrophobicContact CE1-CG2 4.2Å; Y592-T596 HydrophobicContact CE2-CG2 3.42Å; Y592-T596 VanDerWaalsContact CE2-CG2 3.42Å; Y592-T596 HydrophobicContact CG-CG2 4.45Å; Y592-T596 PolarHBondContact O-N 3.35Å; Y592-T596 PolarHBondContact O-OG1 3.17Å
593C98.1Very high95.1Very high0 Ų044 Ų440%025%0.251CS..Hα-helixtrans-60.9-39.7175.7-70.40000112.2F589 I590 Q595 T596 F597 L613F589-C593 WeakPolarHBondContact CE2-SG 3.36Å; F589-C593 WeakPolarHBondContact CZ-SG 3.4Å; F589-C593 PolarHBondContact O-N 3.04Å; F589-C593 PolarHBondContact O-SG 3.25Å; F589-C593 VanDerWaalsContact O-SG 3.38Å; I590-C593 PolarHBondContact O-N 3.42Å; C593-Q595 PolarHBondContact O-N 3.41Å; C593-T596 PolarHBondContact O-N 2.9Å; C593-F597 HydrophobicContact CB-CD2 3.88Å; C593-F597 HydrophobicContact CB-CE1 4.42Å; C593-F597 HydrophobicContact CB-CE2 3.77Å; C593-F597 HydrophobicContact CB-CG 4.27Å; C593-F597 HydrophobicContact CB-CZ 4.06Å; C593-F597 WeakPolarHBondContact O-CB 3.41Å; C593-F597 PolarHBondContact O-N 3.18Å; C593-F597 WeakPolarHBondContact SG-CZ 3.49Å; C593-L613 HydrophobicContact CB-CD1 4Å
594A97.7Very high95.1Very high2 Ų251.6 Ų51.62%0.01728%0.284CS..Hα-helixtrans-61.5-27.2176.900000112.7I590 A591 Y592 P598 S610 L613 L614I590-A594 WeakPolarHBondContact O-CB 3.32Å; I590-A594 PolarHBondContact O-N 2.99Å; A591-A594 PolarHBondContact O-N 2.98Å; Y592-A594 VanDerWaalsContact C-N 3.31Å; Y592-A594 PolarHBondContact O-N 3.38Å; A594-P598 WeakPolarHBondContact O-CG 3.39Å; A594-S610 VanDerWaalsContact O-CB 3.31Å; A594-S610 WeakPolarHBondContact O-CB 3.39Å; A594-S610 PolarHBondContact O-OG 2.93Å; A594-L613 HydrophobicContact CB-CB 3.81Å; A594-L613 HydrophobicContact CB-CD1 4.19Å; A594-L614 HydrophobicContact CB-CD2 4.27Å; A594-L614 HydrophobicContact CB-CG 4.2Å
595Q96.8Very high95.2Very high155 Ų15550.5 Ų50.572%0.72428%0.276SS*.Hα-helixtrans-88.7-36.2177.8-66.6173.415.700112.8A591 Y592 C593A591-Q595 WeakPolarHBondContact O-CG 3.4Å; A591-Q595 PolarHBondContact O-N 3.49Å; Y592-Q595 PolarHBondContact O-N 2.9Å; Y592-Q595 VanDerWaalsContact O-N 3.1Å; C593-Q595 PolarHBondContact O-N 3.41Å
596T96.1Very high95.2Very high39 Ų3950 Ų5024%0.23927%0.274CS..Hα-helixtrans-98.4-38.8-168.754.70000114.4Y592 C593 P598 S599Y592-T596 HydrophobicContact CD2-CG2 3.89Å; Y592-T596 HydrophobicContact CE1-CG2 4.2Å; Y592-T596 HydrophobicContact CE2-CG2 3.42Å; Y592-T596 VanDerWaalsContact CE2-CG2 3.42Å; Y592-T596 HydrophobicContact CG-CG2 4.45Å; Y592-T596 PolarHBondContact O-N 3.35Å; Y592-T596 PolarHBondContact O-OG1 3.17Å; C593-T596 PolarHBondContact O-N 2.9Å; T596-P598 VanDerWaalsContact C-N 3.34Å; T596-S599 PolarHBondContact O-N 3.5Å; T596-S599 VanDerWaalsContact O-N 3.17Å; T596-S599 PolarHBondContact O-OG 3.37Å
597F96Very high95.2Very high11 Ų1153.6 Ų53.65%0.04830%0.296CS..G310 helixtrans-62.9-29.7-179.5-68.5-2.4000114.9C403 F406 C593 S599 C600 L609C403-F597 HydrophobicContact CB-CE2 3.81Å; C403-F597 HydrophobicContact CB-CZ 4.3Å; C403-F597 WeakPolarHBondContact O-CZ 3.19Å; F406-F597 HydrophobicContact CB-CE2 4.35Å; F406-F597 HydrophobicContact CD1-CD1 4.39Å; F406-F597 AromaticContact CD1-CD2 3.52Å; F406-F597 HydrophobicContact CD1-CD2 3.52Å; F406-F597 HydrophobicContact CD1-CE1 4.43Å; F406-F597 AromaticContact CD1-CE2 3.57Å; F406-F597 HydrophobicContact CD1-CE2 3.57Å; F406-F597 AromaticContact CD1-CG 3.95Å; F406-F597 HydrophobicContact CD1-CG 3.95Å; F406-F597 HydrophobicContact CD1-CZ 4.04Å; F406-F597 HydrophobicContact CE1-CB 4.17Å; F406-F597 AromaticContact CE1-CD2 3.9Å; F406-F597 HydrophobicContact CE1-CD2 3.9Å; F406-F597 HydrophobicContact CE1-CE2 4.39Å; F406-F597 AromaticContact CE1-CG 3.97Å; F406-F597 HydrophobicContact CE1-CG 3.97Å; F406-F597 HydrophobicContact CG-CE2 4.42Å; C593-F597 HydrophobicContact CB-CD2 3.88Å; C593-F597 HydrophobicContact CB-CE1 4.42Å; C593-F597 HydrophobicContact CB-CE2 3.77Å; C593-F597 HydrophobicContact CB-CG 4.27Å; C593-F597 HydrophobicContact CB-CZ 4.06Å; C593-F597 WeakPolarHBondContact O-CB 3.41Å; C593-F597 PolarHBondContact O-N 3.18Å; C593-F597 WeakPolarHBondContact SG-CZ 3.49Å; F597-S599 PolarHBondContact O-N 3.19Å; F597-S599 VanDerWaalsContact O-N 3.12Å; F597-C600 PolarHBondContact O-N 3.46Å; F597-C600 VanDerWaalsContact O-N 3.17Å; F597-C600 PolarHBondContact O-SG 3.45Å; F597-L609 HydrophobicContact CB-CD2 3.72Å; F597-L609 HydrophobicContact CD2-CD2 4.29Å
598P94.7Very high95.2Very high31 Ų3153.3 Ų53.320%0.20130%0.298CS..G310 helixtrans-56.1-29.2174.3-28.336.9000113.9A594 T596 C600 M601 G606A594-P598 WeakPolarHBondContact O-CG 3.39Å; T596-P598 VanDerWaalsContact C-N 3.34Å; P598-C600 VanDerWaalsContact C-N 3.25Å; P598-C600 PolarHBondContact O-N 3Å; P598-M601 PolarHBondContact O-N 3.5Å; P598-G606 WeakPolarHBondContact CG-O 3.15Å
599S92.4Very high95.2Very high112 Ų11248.8 Ų48.878%0.78327%0.274SS*.G310 helixtrans-72.1-15.9-177.5740000114.1T596 F597T596-S599 PolarHBondContact O-N 3.5Å; T596-S599 VanDerWaalsContact O-N 3.17Å; T596-S599 PolarHBondContact O-OG 3.37Å; F597-S599 PolarHBondContact O-N 3.19Å; F597-S599 VanDerWaalsContact O-N 3.12Å
600C88.9Confident95.1Very high63 Ų6350.1 Ų50.143%0.42628%0.283SS..G310 helixtrans-98.410.3176.166.80000113.5N410 F597 P598N410-C600 PolarHBondContact ND2-SG 2.81Å; F597-C600 PolarHBondContact O-N 3.46Å; F597-C600 VanDerWaalsContact O-N 3.17Å; F597-C600 PolarHBondContact O-SG 3.45Å; P598-C600 VanDerWaalsContact C-N 3.25Å; P598-C600 PolarHBondContact O-N 3Å
601M90.9Very high95.1Very high31 Ų3155.9 Ų55.915%0.15331%0.311CS..SBendtrans-129.1170.6-175.1-58.6-178.977.200111.6F406 L474 P598 L609F406-M601 HydrophobicContact CZ-SD 4.27Å; L474-M601 WeakPolarHBondContact O-CE 3.49Å; P598-M601 PolarHBondContact O-N 3.5Å; M601-L609 HydrophobicContact SD-CB 4.47Å; M601-L609 HydrophobicContact SD-CD2 3.52Å; M601-L609 VanDerWaalsContact SD-CD2 3.52Å
602D91.4Very high95.1Very high82 Ų8254.8 Ų54.844%0.43930%0.301SS..  trans-63.9149.3166.76894.4000110.5R443 K604 S605 G606R443-D602 IonicContact NH1-OD2 3.58Å; D602-K604 PolarHBondContact O-N 3.29Å; D602-K604 VanDerWaalsContact O-N 3.1Å; D602-K604 PolarHBondContact OD1-N 2.93Å; D602-S605 VanDerWaalsContact CG-OG 3.31Å; D602-S605 PolarHBondContact O-N 3.29Å; D602-S605 PolarHBondContact OD1-N 3.37Å; D602-S605 PolarHBondContact OD1-OG 3.45Å; D602-S605 WeakPolarHBondContact OD2-CB 3.3Å; D602-S605 PolarHBondContact OD2-OG 3.5Å; D602-G606 PolarHBondContact O-N 2.92Å
603S89.5Confident95.1Very high105 Ų10553 Ų5373%0.73429%0.294SS*.Hα-helixtrans-52.1-39.3-173.5-179.80000113.1V607S603-V607 WeakPolarHBondContact O-CG2 3.36Å; S603-V607 PolarHBondContact O-N 2.7Å; S603-V607 VanDerWaalsContact O-N 3.1Å
604K93.9Very high95Very high165 Ų16557.1 Ų57.172%0.71732%0.316SS*.Hα-helixtrans-70.2-53.3-179-174.1-178.3177.6-177.90111.7D602 G606 V607 E608D602-K604 PolarHBondContact O-N 3.29Å; D602-K604 VanDerWaalsContact O-N 3.1Å; D602-K604 PolarHBondContact OD1-N 2.93Å; K604-G606 PolarHBondContact O-N 3.07Å; K604-V607 PolarHBondContact O-N 2.96Å; K604-E608 PolarHBondContact O-N 3.33Å; K604-E608 VanDerWaalsContact O-N 3.11Å
605S94.1Very high95Very high16 Ų1659.8 Ų59.811%0.11233%0.328CS..Hα-helixtrans-62.7-33.5178.2-56.70000111.8R443 D602 L609R443-S605 PolarHBondContact NH1-OG 2.93Å; R443-S605 VanDerWaalsContact NH1-OG 3.08Å; D602-S605 VanDerWaalsContact CG-OG 3.31Å; D602-S605 PolarHBondContact O-N 3.29Å; D602-S605 PolarHBondContact OD1-N 3.37Å; D602-S605 PolarHBondContact OD1-OG 3.45Å; D602-S605 WeakPolarHBondContact OD2-CB 3.3Å; D602-S605 PolarHBondContact OD2-OG 3.5Å; S605-L609 VanDerWaalsContact O-CB 3.3Å; S605-L609 WeakPolarHBondContact O-CB 3.34Å; S605-L609 PolarHBondContact O-N 3.12Å
606G95.4Very high95Very high1 Ų152.6 Ų52.61%0.0129%0.294CS..Hα-helixtrans-64.7-48.1177.800000112.6P598 D602 K604 L609 S610P598-G606 WeakPolarHBondContact CG-O 3.15Å; D602-G606 PolarHBondContact O-N 2.92Å; K604-G606 PolarHBondContact O-N 3.07Å; G606-L609 PolarHBondContact O-N 3.24Å; G606-S610 PolarHBondContact O-N 3.17Å
607V96.4Very high94.9Very high77 Ų7752.7 Ų52.747%0.46729%0.293SS..Hα-helixtrans-61-46.9175.5172.60000110.7S603 K604 L609 S610 E611S603-V607 WeakPolarHBondContact O-CG2 3.36Å; S603-V607 PolarHBondContact O-N 2.7Å; S603-V607 VanDerWaalsContact O-N 3.1Å; K604-V607 PolarHBondContact O-N 2.96Å; V607-L609 VanDerWaalsContact C-N 3.33Å; V607-L609 PolarHBondContact O-N 3.02Å; V607-S610 WeakPolarHBondContact O-CB 3.35Å; V607-S610 PolarHBondContact O-N 3.17Å; V607-S610 VanDerWaalsContact O-N 3.17Å; V607-E611 HydrophobicContact CG1-CG 4.49Å; V607-E611 WeakPolarHBondContact O-CG 3.31Å; V607-E611 PolarHBondContact O-N 2.88Å
608E96.8Very high94.8Very high70 Ų7056.5 Ų56.533%0.32732%0.321SS..Hα-helixtrans-62.2-38.7179.5-165.5-178166.600112L474 K604 E611 V612L474-E608 HydrophobicContact CD1-CB 4.31Å; L474-E608 HydrophobicContact CD1-CG 3.9Å; L474-E608 HydrophobicContact CD2-CB 3.93Å; L474-E608 HydrophobicContact CD2-CG 4.03Å; K604-E608 PolarHBondContact O-N 3.33Å; K604-E608 VanDerWaalsContact O-N 3.11Å; E608-E611 PolarHBondContact O-N 3.3Å; E608-V612 VanDerWaalsContact O-CG2 3.31Å; E608-V612 WeakPolarHBondContact O-CG2 3.38Å; E608-V612 PolarHBondContact O-N 2.67Å
609L97.3Very high94.5Very high0 Ų056 Ų560%032%0.319CS..Hα-helixtrans-64.3-43175.1179.362.1000111.8L471 L474 L475 F597 M601 S605 G606 V607 V612 L613L471-L609 HydrophobicContact CD1-CD1 3.84Å; L474-L609 HydrophobicContact CB-CB 4.33Å; L474-L609 HydrophobicContact CB-CD1 3.96Å; L474-L609 HydrophobicContact CD1-CB 4.39Å; L475-L609 HydrophobicContact CD2-CD1 3.96Å; L475-L609 HydrophobicContact CD2-CD2 4.24Å; F597-L609 HydrophobicContact CB-CD2 3.72Å; F597-L609 HydrophobicContact CD2-CD2 4.29Å; M601-L609 HydrophobicContact SD-CB 4.47Å; M601-L609 HydrophobicContact SD-CD2 3.52Å; M601-L609 VanDerWaalsContact SD-CD2 3.52Å; S605-L609 VanDerWaalsContact O-CB 3.3Å; S605-L609 WeakPolarHBondContact O-CB 3.34Å; S605-L609 PolarHBondContact O-N 3.12Å; G606-L609 PolarHBondContact O-N 3.24Å; V607-L609 VanDerWaalsContact C-N 3.33Å; V607-L609 PolarHBondContact O-N 3.02Å; L609-V612 PolarHBondContact O-N 3.35Å; L609-L613 HydrophobicContact CD1-CD1 4.05Å; L609-L613 HydrophobicContact CD1-CG 4.12Å; L609-L613 HydrophobicContact CG-CD1 4.01Å; L609-L613 HydrophobicContact CG-CG 4.47Å; L609-L613 WeakPolarHBondContact O-CB 3.27Å; L609-L613 VanDerWaalsContact O-CG 3.29Å; L609-L613 WeakPolarHBondContact O-CG 3.29Å; L609-L613 PolarHBondContact O-N 3.2Å
610S97.5Very high93.9Very high28 Ų2857.1 Ų57.120%0.19631%0.312CS..Hα-helixtrans-59.4-48176.1-164.60000111.1A594 G606 V607 V612 L613 L614A594-S610 VanDerWaalsContact O-CB 3.31Å; A594-S610 WeakPolarHBondContact O-CB 3.39Å; A594-S610 PolarHBondContact O-OG 2.93Å; G606-S610 PolarHBondContact O-N 3.17Å; V607-S610 WeakPolarHBondContact O-CB 3.35Å; V607-S610 PolarHBondContact O-N 3.17Å; V607-S610 VanDerWaalsContact O-N 3.17Å; S610-V612 PolarHBondContact O-N 3.09Å; S610-L613 PolarHBondContact O-N 3.02Å; S610-L614 VanDerWaalsContact O-CG 3.3Å; S610-L614 WeakPolarHBondContact O-CG 3.31Å; S610-L614 PolarHBondContact O-N 3.35Å
611E97.2Very high93.5Very high122 Ų12255.6 Ų55.657%0.5730%0.302SS*.Hα-helixtrans-59.4-46.7178.2-71.7175.4172.500112V607 E608 L613 L614 E615V607-E611 HydrophobicContact CG1-CG 4.49Å; V607-E611 WeakPolarHBondContact O-CG 3.31Å; V607-E611 PolarHBondContact O-N 2.88Å; E608-E611 PolarHBondContact O-N 3.3Å; E611-L613 PolarHBondContact O-N 3.01Å; E611-L614 PolarHBondContact O-N 3.12Å; E611-E615 WeakPolarHBondContact O-CB 3.49Å; E611-E615 PolarHBondContact O-N 3.5Å
612V97.7Very high93Very high2 Ų255.9 Ų55.91%0.01231%0.305CS..Hα-helixtrans-64.1-40.6179170.50000111.7R470 L471 L474 E608 L609 S610 E615 I616R470-V612 HydrophobicContact CB-CG1 4.43Å; R470-V612 HydrophobicContact CB-CG2 3.96Å; L471-V612 HydrophobicContact CB-CG1 4.04Å; L474-V612 HydrophobicContact CD1-CB 4.27Å; L474-V612 HydrophobicContact CD1-CG2 3.82Å; E608-V612 VanDerWaalsContact O-CG2 3.31Å; E608-V612 WeakPolarHBondContact O-CG2 3.38Å; E608-V612 PolarHBondContact O-N 2.67Å; L609-V612 PolarHBondContact O-N 3.35Å; S610-V612 PolarHBondContact O-N 3.09Å; V612-E615 WeakPolarHBondContact O-CB 3.21Å; V612-E615 PolarHBondContact O-N 3.16Å; V612-I616 HydrophobicContact CG1-CD1 3.89Å; V612-I616 WeakPolarHBondContact O-CD1 3.33Å; V612-I616 VanDerWaalsContact O-CG1 3.26Å; V612-I616 WeakPolarHBondContact O-CG1 3.48Å; V612-I616 PolarHBondContact O-N 3.39Å
613L98Very high92.2Very high0 Ų054.3 Ų54.30%030%0.303CS..Hα-helixtrans-67-39.1177.4-70.5173.9000112T399 L471 I590 C593 A594 L609 S610 E611 I616 L617T399-L613 HydrophobicContact CG2-CD2 3.57Å; L471-L613 HydrophobicContact CD1-CD2 3.82Å; L471-L613 HydrophobicContact CD1-CG 4.49Å; I590-L613 HydrophobicContact CG2-CB 4.22Å; I590-L613 HydrophobicContact CG2-CD2 4.27Å; C593-L613 HydrophobicContact CB-CD1 4Å; A594-L613 HydrophobicContact CB-CB 3.81Å; A594-L613 HydrophobicContact CB-CD1 4.19Å; L609-L613 HydrophobicContact CD1-CD1 4.05Å; L609-L613 HydrophobicContact CD1-CG 4.12Å; L609-L613 HydrophobicContact CG-CD1 4.01Å; L609-L613 HydrophobicContact CG-CG 4.47Å; L609-L613 WeakPolarHBondContact O-CB 3.27Å; L609-L613 VanDerWaalsContact O-CG 3.29Å; L609-L613 WeakPolarHBondContact O-CG 3.29Å; L609-L613 PolarHBondContact O-N 3.2Å; S610-L613 PolarHBondContact O-N 3.02Å; E611-L613 PolarHBondContact O-N 3.01Å; L613-I616 PolarHBondContact O-N 3.01Å; L613-L617 WeakPolarHBondContact O-CB 3.44Å; L613-L617 PolarHBondContact O-N 3.45Å
614L97.5Very high91.9Very high88 Ų8850.1 Ų50.146%0.46127%0.272SS..Hα-helixtrans-67.7-37174.2-68.6173.4000112.1A594 S610 E611 L617 S618A594-L614 HydrophobicContact CB-CD2 4.27Å; A594-L614 HydrophobicContact CB-CG 4.2Å; S610-L614 VanDerWaalsContact O-CG 3.3Å; S610-L614 WeakPolarHBondContact O-CG 3.31Å; S610-L614 PolarHBondContact O-N 3.35Å; E611-L614 PolarHBondContact O-N 3.12Å; L614-L617 HydrophobicContact CD2-CD2 4.47Å; L614-L617 PolarHBondContact O-N 3.28Å; L614-S618 WeakPolarHBondContact O-CB 3.08Å; L614-S618 PolarHBondContact O-N 3.17Å; L614-S618 PolarHBondContact O-OG 3.36Å
615E96.6Very high91.3Very high57 Ų5743.2 Ų43.227%0.26624%0.243SC..Hα-helixtrans-61.3-44.4172.3-170.5-168.6143.200111.1R467 R470 E611 V612 L617 S618 A619R467-E615 WeakPolarHBondContact CD-OE1 3.49Å; R467-E615 VanDerWaalsContact CG-OE1 3.27Å; R467-E615 WeakPolarHBondContact CG-OE1 3.43Å; R470-E615 IonicContact CZ-OE1 2.8Å; R470-E615 IonicContact CZ-OE2 2.83Å; R470-E615 IonicContact NH1-OE2 3.87Å; R470-E615 PolarHBondContact NH1-OE2 3.42Å; R470-E615 IonicContact NH2-OE1 3.89Å; R470-E615 PolarHBondContact NH2-OE1 2.95Å; R470-E615 IonicContact NH2-OE2 2.74Å; R470-E615 PolarHBondContact NH2-OE2 3.02Å; E611-E615 WeakPolarHBondContact O-CB 3.49Å; E611-E615 PolarHBondContact O-N 3.5Å; V612-E615 WeakPolarHBondContact O-CB 3.21Å; V612-E615 PolarHBondContact O-N 3.16Å; E615-L617 VanDerWaalsContact C-N 3.34Å; E615-L617 PolarHBondContact O-N 3.06Å; E615-S618 WeakPolarHBondContact CA-OG 3.36Å; E615-S618 PolarHBondContact O-N 3.24Å; E615-S618 PolarHBondContact O-OG 3.08Å; E615-A619 PolarHBondContact O-N 2.85Å; E615-A619 VanDerWaalsContact O-N 3.13Å
616I96Very high90.9Very high4 Ų443 Ų432%0.02124%0.24CC..Hα-helixtrans-64.3-40.1175.6-67.5161.9000111T399 R467 L471 V612 L613 S618 A619T399-I616 HydrophobicContact CG2-CD1 3.93Å; T399-I616 HydrophobicContact CG2-CG2 4.24Å; R467-I616 HydrophobicContact CB-CD1 4.43Å; R467-I616 HydrophobicContact CB-CG1 4.09Å; R467-I616 HydrophobicContact CG-CG1 4.23Å; L471-I616 HydrophobicContact CB-CD1 4.48Å; L471-I616 HydrophobicContact CD2-CD1 4.01Å; V612-I616 HydrophobicContact CG1-CD1 3.89Å; V612-I616 WeakPolarHBondContact O-CD1 3.33Å; V612-I616 VanDerWaalsContact O-CG1 3.26Å; V612-I616 WeakPolarHBondContact O-CG1 3.48Å; V612-I616 PolarHBondContact O-N 3.39Å; L613-I616 PolarHBondContact O-N 3.01Å; I616-S618 VanDerWaalsContact C-N 3.33Å; I616-S618 PolarHBondContact O-N 3.27Å; I616-A619 WeakPolarHBondContact O-CB 3.29Å; I616-A619 PolarHBondContact O-N 2.92Å
617L94.9Very high90.2Very high42 Ų4243.5 Ų43.522%0.2224%0.244CC..Hα-helixtrans-65.1-36.3-179.7-170.668000112.8L396 R587 I590 A591 L613 L614 E615L396-L617 HydrophobicContact CD1-CD1 4.03Å; R587-L617 HydrophobicContact CB-CD1 3.86Å; R587-L617 HydrophobicContact CG-CD1 3.94Å; R587-L617 WeakPolarHBondContact O-CD1 3.38Å; I590-L617 HydrophobicContact CB-CD1 4.39Å; I590-L617 HydrophobicContact CG2-CB 4.43Å; I590-L617 HydrophobicContact CG2-CD1 4.37Å; A591-L617 HydrophobicContact CB-CD2 3.99Å; L613-L617 WeakPolarHBondContact O-CB 3.44Å; L613-L617 PolarHBondContact O-N 3.45Å; L614-L617 HydrophobicContact CD2-CD2 4.47Å; L614-L617 PolarHBondContact O-N 3.28Å; E615-L617 VanDerWaalsContact C-N 3.34Å; E615-L617 PolarHBondContact O-N 3.06Å
618S93.1Very high89.3Confident90 Ų9042.6 Ų42.663%0.62924%0.236SC*.Hα-helixtrans-82.4-12.5178.255.30000113.9L614 E615 I616L614-S618 WeakPolarHBondContact O-CB 3.08Å; L614-S618 PolarHBondContact O-N 3.17Å; L614-S618 PolarHBondContact O-OG 3.36Å; E615-S618 WeakPolarHBondContact CA-OG 3.36Å; E615-S618 PolarHBondContact O-N 3.24Å; E615-S618 PolarHBondContact O-OG 3.08Å; I616-S618 VanDerWaalsContact C-N 3.33Å; I616-S618 PolarHBondContact O-N 3.27Å
619A88.4Confident88.2Confident20 Ų2043.6 Ų43.617%0.16524%0.24CC..SBendtrans-68.6143.2177.500000112.2R467 E615 I616R467-A619 VanDerWaalsContact NH1-CB 3.32Å; E615-A619 PolarHBondContact O-N 2.85Å; E615-A619 VanDerWaalsContact O-N 3.13Å; I616-A619 WeakPolarHBondContact O-CB 3.29Å; I616-A619 PolarHBondContact O-N 2.92Å
620H80.4Confident86.7Confident136 Ų13650.1 Ų50.163%0.6329%0.286SS*.PPolyproline II helixtrans-69.2128173.5-65.493.7000110.5T622 T637H620-T622 PolarHBondContact O-N 2.93Å; H620-T637 HydrophobicContact CB-CG2 4.47Å
621P81Confident85.1Confident32 Ų3253.3 Ų53.321%0.20830%0.301CS..PPolyproline II helixtrans-62.5127.7174.9-22.333.6000111.9T637 D638P621-T637 WeakPolarHBondContact O-CA 3.27Å; P621-D638 HydrophobicContact CB-CB 4.47Å; P621-D638 WeakPolarHBondContact CB-OD2 3.5Å; P621-D638 PolarHBondContact O-N 3.3Å
622T80.7Confident83.6Confident36 Ų3649.5 Ų49.522%0.22130%0.295CS..  trans-158151.3177.1-175.80000111.1H620 E624 I634 Q636 D638H620-T622 PolarHBondContact O-N 2.93Å; T622-E624 HydrophobicContact CG2-CG 3.71Å; T622-E624 PolarHBondContact OG1-N 3.39Å; T622-I634 HydrophobicContact CG2-CB 4.42Å; T622-I634 HydrophobicContact CG2-CD1 3.5Å; T622-I634 VanDerWaalsContact CG2-CD1 3.5Å; T622-I634 HydrophobicContact CG2-CG1 3.89Å; T622-I634 HydrophobicContact CG2-CG2 3.67Å; T622-I634 WeakPolarHBondContact OG1-CG2 3.42Å; T622-Q636 WeakPolarHBondContact CB-O 3.37Å; T622-Q636 PolarHBondContact OG1-O 3.11Å; T622-D638 WeakPolarHBondContact CA-OD1 3.4Å; T622-D638 PolarHBondContact N-OD2 2.88Å
623A74.7Confident82Confident49 Ų4955 Ų5541%0.40532%0.32SS..  trans-88.7-9.6175.300000114.5L625 D638A623-L625 HydrophobicContact CB-CD1 4.14Å; A623-L625 HydrophobicContact CB-CG 3.93Å; A623-L625 WeakPolarHBondContact O-CG 3.35Å; A623-L625 PolarHBondContact O-N 2.92Å; A623-D638 PolarHBondContact N-OD1 3.16Å
624E81.5Confident80.6Confident17 Ų1757.5 Ų57.58%0.07933%0.333CS..  trans45.136.3-176.8-58.1-169.3161.900114.3N459 S460 S461 T464 T622N459-E624 WeakPolarHBondContact CB-O 3.44Å; S460-E624 WeakPolarHBondContact CA-OE2 3.37Å; S461-E624 WeakPolarHBondContact CB-OE1 3.26Å; S461-E624 PolarHBondContact N-OE2 2.76Å; S461-E624 PolarHBondContact OG-OE1 3.04Å; T464-E624 VanDerWaalsContact CG2-CD 3.43Å; T464-E624 HydrophobicContact CG2-CG 4.49Å; T464-E624 WeakPolarHBondContact CG2-OE1 3.37Å; T464-E624 PolarHBondContact OG1-OE1 2.93Å; T464-E624 PolarHBondContact OG1-OE2 2.89Å; T622-E624 HydrophobicContact CG2-CG 3.71Å; T622-E624 PolarHBondContact OG1-N 3.39Å
625L83Confident79Confident20 Ų2055.1 Ų55.111%0.10532%0.324CS..  trans-92.2-12.3178.5-60.4-179.2000113.2F507 Q521 Q524 A623F507-L625 WeakPolarHBondContact CE1-O 3.27Å; Q521-L625 HydrophobicContact CB-CB 3.9Å; Q521-L625 HydrophobicContact CB-CD1 4.06Å; Q521-L625 HydrophobicContact CG-CB 3.74Å; Q524-L625 HydrophobicContact CB-CD2 4.22Å; Q524-L625 PolarHBondContact NE2-O 3.43Å; A623-L625 HydrophobicContact CB-CD1 4.14Å; A623-L625 HydrophobicContact CB-CG 3.93Å; A623-L625 WeakPolarHBondContact O-CG 3.35Å; A623-L625 PolarHBondContact O-N 2.92Å
626M84.3Confident77.8Confident11 Ų1155.4 Ų55.45%0.05433%0.325CS..SBendtrans-104.2150.5179-74.2-64.7-68.300110F507 T508 V509 S517 Q521 L628F507-M626 HydrophobicContact CB-CE 4.1Å; F507-M626 HydrophobicContact CD1-CE 4.15Å; F507-M626 HydrophobicContact CD1-SD 3.47Å; F507-M626 WeakPolarHBondContact CD1-SD 3.2Å; F507-M626 HydrophobicContact CE1-SD 4.03Å; F507-M626 HydrophobicContact CG-SD 4.35Å; T508-M626 WeakPolarHBondContact OG1-CE 3.39Å; V509-M626 HydrophobicContact CG1-CE 4.16Å; V509-M626 HydrophobicContact CG2-CE 4.3Å; S517-M626 PolarHBondContact OG-SD 2.88Å; Q521-M626 HydrophobicContact CG-CG 4.23Å; Q521-M626 HydrophobicContact CG-SD 3.84Å; Q521-M626 PolarHBondContact NE2-SD 2.8Å; M626-L628 PolarHBondContact O-N 2.98Å
627P81.6Confident77.1Confident13 Ų1357.7 Ų57.78%0.08434%0.339CS..PPolyproline II helixtrans-53.8140.5174.2-23.532.2000111.6N459 F507 V509 H510 S635N459-P627 VanDerWaalsContact OD1-CA 3.25Å; N459-P627 WeakPolarHBondContact OD1-CA 3.2Å; F507-P627 HydrophobicContact CB-CG 4Å; F507-P627 HydrophobicContact CD1-CG 4.45Å; F507-P627 HydrophobicContact CD2-CG 3.42Å; F507-P627 VanDerWaalsContact CD2-CG 3.42Å; F507-P627 HydrophobicContact CE2-CG 3.92Å; F507-P627 HydrophobicContact CG-CG 3.72Å; V509-P627 HydrophobicContact CG2-CB 3.87Å; V509-P627 HydrophobicContact CG2-CG 3.62Å; H510-P627 WeakPolarHBondContact NE2-CG 3.29Å; P627-S635 WeakPolarHBondContact O-CB 3.47Å; P627-S635 PolarHBondContact O-OG 3.5Å
628L77.7Confident76.6Confident58 Ų5856.2 Ų56.230%0.30433%0.332SS..PPolyproline II helixtrans-61.7152.7175.5-62.8172000110M626M626-L628 PolarHBondContact O-N 2.98Å
629Q72.4Confident76.3Confident90 Ų9055.3 Ų55.342%0.42132%0.318SS..PPolyproline II helixtrans-62162.5169.4-62.5-169.715.400110N631 G632 E633 I634Q629-N631 WeakPolarHBondContact CB-OD1 3.5Å; Q629-N631 PolarHBondContact O-N 3.3Å; Q629-G632 WeakPolarHBondContact O-CA 3.47Å; Q629-G632 PolarHBondContact O-N 3.3Å; Q629-E633 WeakPolarHBondContact CB-O 3.41Å; Q629-E633 PolarHBondContact N-O 2.86Å; Q629-I634 PolarHBondContact NE2-O 3.41Å
630S66.5Low76.2Confident138 Ų13859 Ų5997%0.96534%0.341SS*.THydrogen-bonded Turntrans-59.6-21.4-177.248.70000114.4G632S630-G632 VanDerWaalsContact C-N 3.33Å
631N64.8Low76.4Confident94 Ų9455.9 Ų55.950%0.50333%0.327SS..THydrogen-bonded Turntrans-87.42.9174.462.5-5.5000113.4Q629 E633Q629-N631 WeakPolarHBondContact CB-OD1 3.5Å; Q629-N631 PolarHBondContact O-N 3.3Å; N631-E633 VanDerWaalsContact C-N 3.26Å; N631-E633 WeakPolarHBondContact ND2-CG 3.37Å; N631-E633 PolarHBondContact ND2-OE2 3.41Å; N631-E633 PolarHBondContact O-N 2.93Å; N631-E633 VanDerWaalsContact OD1-CB 3.27Å; N631-E633 WeakPolarHBondContact OD1-CB 3.26Å; N631-E633 PolarHBondContact OD1-N 2.99Å
632G64.6Low76.8Confident42 Ų4254.5 Ų54.543%0.43332%0.317SS..SBendtrans79.92.2-17500000114.3Q629 S630Q629-G632 WeakPolarHBondContact O-CA 3.47Å; Q629-G632 PolarHBondContact O-N 3.3Å; S630-G632 VanDerWaalsContact C-N 3.33Å
633E65.5Low77.4Confident119 Ų11954.1 Ų54.156%0.55632%0.321SS*.  trans-79.8157.2177.7-65.3-177.716300112Q629 N631 S635Q629-E633 WeakPolarHBondContact CB-O 3.41Å; Q629-E633 PolarHBondContact N-O 2.86Å; N631-E633 VanDerWaalsContact C-N 3.26Å; N631-E633 WeakPolarHBondContact ND2-CG 3.37Å; N631-E633 PolarHBondContact ND2-OE2 3.41Å; N631-E633 PolarHBondContact O-N 2.93Å; N631-E633 VanDerWaalsContact OD1-CB 3.27Å; N631-E633 WeakPolarHBondContact OD1-CB 3.26Å; N631-E633 PolarHBondContact OD1-N 2.99Å; E633-S635 PolarHBondContact O-N 3.45Å
634I67.5Low78.3Confident51 Ų5151.9 Ų51.926%0.26230%0.302SS..  trans-63.1128.6179.5-66.1157.3000109.2T622 Q629 Q636T622-I634 HydrophobicContact CG2-CB 4.42Å; T622-I634 HydrophobicContact CG2-CD1 3.5Å; T622-I634 VanDerWaalsContact CG2-CD1 3.5Å; T622-I634 HydrophobicContact CG2-CG1 3.89Å; T622-I634 HydrophobicContact CG2-CG2 3.67Å; T622-I634 WeakPolarHBondContact OG1-CG2 3.42Å; Q629-I634 PolarHBondContact NE2-O 3.41Å; I634-Q636 WeakPolarHBondContact CG2-O 3.38Å
635S63.5Low78.9Confident39 Ų3952.2 Ų52.227%0.27331%0.305SS..SBendtrans-74.4-23.2-177.736.80000113.9P627 E633P627-S635 WeakPolarHBondContact O-CB 3.47Å; P627-S635 PolarHBondContact O-OG 3.5Å; E633-S635 PolarHBondContact O-N 3.45Å
636Q72.9Confident79.3Confident63 Ų6351.5 Ų51.529%0.29430%0.301SS..  trans-157.2140.7-170.4-167.8167.8-8.900113.2T622 I634 E641T622-Q636 WeakPolarHBondContact CB-O 3.37Å; T622-Q636 PolarHBondContact OG1-O 3.11Å; I634-Q636 WeakPolarHBondContact CG2-O 3.38Å; Q636-E641 HydrophobicContact CG-CB 4.47Å; Q636-E641 VanDerWaalsContact NE2-CD 3.33Å; Q636-E641 PolarHBondContact NE2-OE2 3.14Å; Q636-E641 VanDerWaalsContact NE2-OE2 3.11Å
637T80.7Confident79.7Confident52 Ų5253 Ų5332%0.31931%0.309SS..  trans-99.6152170.963.60000111.5H620 P621 E639 C640 E641H620-T637 HydrophobicContact CB-CG2 4.47Å; P621-T637 WeakPolarHBondContact O-CA 3.27Å; T637-E639 PolarHBondContact O-N 2.98Å; T637-C640 PolarHBondContact O-N 3.38Å; T637-C640 WeakPolarHBondContact OG1-CB 3.47Å; T637-E641 PolarHBondContact O-N 3.28Å; T637-E641 VanDerWaalsContact O-N 3.17Å
638D84.4Confident80.4Confident11 Ų1152.3 Ų52.36%0.05931%0.305CS..Hα-helixtrans-60.6-42.6-177-58.8-29.6000112.7Y564 P621 T622 A623 C640 E641 M642Y564-D638 HydrophobicContact CE1-CB 3.76Å; Y564-D638 PolarHBondContact OH-OD1 3.39Å; P621-D638 HydrophobicContact CB-CB 4.47Å; P621-D638 WeakPolarHBondContact CB-OD2 3.5Å; P621-D638 PolarHBondContact O-N 3.3Å; T622-D638 WeakPolarHBondContact CA-OD1 3.4Å; T622-D638 PolarHBondContact N-OD2 2.88Å; A623-D638 PolarHBondContact N-OD1 3.16Å; D638-C640 VanDerWaalsContact C-N 3.33Å; D638-C640 PolarHBondContact O-N 2.81Å; D638-E641 PolarHBondContact O-N 3.05Å; D638-M642 HydrophobicContact CB-CE 4.26Å; D638-M642 WeakPolarHBondContact O-CB 3.45Å; D638-M642 WeakPolarHBondContact O-CG 3.26Å; D638-M642 PolarHBondContact O-N 2.83Å
639E87.3Confident81.2Confident71 Ų7149.6 Ų49.633%0.33229%0.291SS..Hα-helixtrans-65.8-35.8-179.3-64.6-173.1138.500112.3T637 M642 G643 L644 T645 Y646T637-E639 PolarHBondContact O-N 2.98Å; E639-M642 HydrophobicContact CG-CE 4.46Å; E639-M642 PolarHBondContact O-N 2.97Å; E639-G643 PolarHBondContact O-N 3.05Å; E639-L644 PolarHBondContact O-N 2.85Å; E639-T645 VanDerWaalsContact OE1-CA 3.27Å; E639-T645 WeakPolarHBondContact OE1-CA 3.47Å; E639-T645 WeakPolarHBondContact OE1-CB 3.29Å; E639-Y646 HydrophobicContact CG-CD2 3.76Å; E639-Y646 HydrophobicContact CG-CE2 3.89Å; E639-Y646 VanDerWaalsContact OE1-CD2 3.3Å; E639-Y646 WeakPolarHBondContact OE1-CD2 3.08Å; E639-Y646 PolarHBondContact OE1-N 3.31Å
640C84.6Confident82.3Confident97 Ų9745.4 Ų45.466%0.65527%0.272SS*.Hα-helixtrans-64.6-42.2174.9-173.60000110.6T637 D638 G643T637-C640 PolarHBondContact O-N 3.38Å; T637-C640 WeakPolarHBondContact OG1-CB 3.47Å; D638-C640 VanDerWaalsContact C-N 3.33Å; D638-C640 PolarHBondContact O-N 2.81Å; C640-G643 PolarHBondContact O-N 2.97Å
641E84.8Confident83.7Confident71 Ų7139 Ų3933%0.33223%0.227SC..Hα-helixtrans-67.6-42176.7-164.5164.2168.100113.1Y564 Q636 T637 D638 G643Y564-E641 HydrophobicContact CE2-CB 3.95Å; Y564-E641 HydrophobicContact CE2-CG 3.8Å; Y564-E641 PolarHBondContact OH-OE2 2.94Å; Y564-E641 VanDerWaalsContact OH-OE2 3.13Å; Q636-E641 HydrophobicContact CG-CB 4.47Å; Q636-E641 VanDerWaalsContact NE2-CD 3.33Å; Q636-E641 PolarHBondContact NE2-OE2 3.14Å; Q636-E641 VanDerWaalsContact NE2-OE2 3.11Å; T637-E641 PolarHBondContact O-N 3.28Å; T637-E641 VanDerWaalsContact O-N 3.17Å; D638-E641 PolarHBondContact O-N 3.05Å; E641-G643 VanDerWaalsContact C-N 3.26Å; E641-G643 PolarHBondContact O-N 3.15Å
642M89.9Confident85.3Confident2 Ų234.6 Ų34.61%0.0120%0.203CC..Hα-helixtrans-69.1-27.3179-71.9-170-68.900112.6R562 Y564 D638 E639 L644 Y646 L649R562-M642 HydrophobicContact CB-SD 4.39Å; R562-M642 HydrophobicContact CG-CG 4.22Å; R562-M642 HydrophobicContact CG-SD 3.88Å; R562-M642 PolarHBondContact NH2-O 2.97Å; R562-M642 VanDerWaalsContact NH2-O 3.07Å; Y564-M642 HydrophobicContact CD1-CG 4.01Å; Y564-M642 HydrophobicContact CD1-SD 3.84Å; Y564-M642 HydrophobicContact CD2-CG 3.55Å; Y564-M642 HydrophobicContact CD2-SD 4.33Å; Y564-M642 HydrophobicContact CE1-CG 4.44Å; Y564-M642 HydrophobicContact CE2-CG 4.04Å; Y564-M642 HydrophobicContact CG-CG 3.52Å; Y564-M642 HydrophobicContact CG-SD 3.67Å; D638-M642 HydrophobicContact CB-CE 4.26Å; D638-M642 WeakPolarHBondContact O-CB 3.45Å; D638-M642 WeakPolarHBondContact O-CG 3.26Å; D638-M642 PolarHBondContact O-N 2.83Å; E639-M642 HydrophobicContact CG-CE 4.46Å; E639-M642 PolarHBondContact O-N 2.97Å; M642-L644 PolarHBondContact O-N 3.3Å; M642-Y646 HydrophobicContact CE-CE1 4Å; M642-Y646 HydrophobicContact CE-CE2 4.16Å; M642-L649 HydrophobicContact CE-CD1 3.96Å; M642-L649 HydrophobicContact SD-CD1 3.81Å
643G92.4Very high86.8Confident29 Ų2932.6 Ų32.630%0.29918%0.182SC..THydrogen-bonded Turntrans71.68.5-17100000113.7E639 C640 E641 K704 L707E639-G643 PolarHBondContact O-N 3.05Å; C640-G643 PolarHBondContact O-N 2.97Å; E641-G643 VanDerWaalsContact C-N 3.26Å; E641-G643 PolarHBondContact O-N 3.15Å; G643-K704 PolarHBondContact O-NZ 3.43Å; G643-L707 WeakPolarHBondContact O-CD2 3.27Å
644L94.5Very high88.3Confident1 Ų131.1 Ų31.11%0.00517%0.172CC..SBendtrans-136138.3-178.5-66.4173000108.7E639 M642 E648 L649 F652 K704 L707 F708E639-L644 PolarHBondContact O-N 2.85Å; M642-L644 PolarHBondContact O-N 3.3Å; L644-E648 WeakPolarHBondContact CA-OE2 3.3Å; L644-E648 HydrophobicContact CD2-CB 4.46Å; L644-L649 HydrophobicContact CB-CD2 4.14Å; L644-L649 HydrophobicContact CB-CG 4.02Å; L644-L649 HydrophobicContact CD1-CD2 3.69Å; L644-L649 HydrophobicContact CD1-CG 4.46Å; L644-F652 HydrophobicContact CD2-CE2 3.95Å; L644-K704 HydrophobicContact CD2-CB 4.31Å; L644-K704 HydrophobicContact CD2-CD 3.52Å; L644-L707 HydrophobicContact CD2-CD2 4.22Å; L644-L707 HydrophobicContact CG-CD2 4.06Å; L644-F708 HydrophobicContact CD1-CB 3.96Å; L644-F708 HydrophobicContact CD1-CD2 4.26Å
645T93.8Very high89.7Confident24 Ų2429 Ų2915%0.14716%0.161CC..  trans-76.7160.8171.171.10000110.8E639 D647 E648 L649 V681E639-T645 VanDerWaalsContact OE1-CA 3.27Å; E639-T645 WeakPolarHBondContact OE1-CA 3.47Å; E639-T645 WeakPolarHBondContact OE1-CB 3.29Å; T645-D647 PolarHBondContact O-N 3.45Å; T645-E648 PolarHBondContact N-OE2 2.99Å; T645-E648 WeakPolarHBondContact O-CB 3.2Å; T645-E648 PolarHBondContact O-N 2.9Å; T645-E648 WeakPolarHBondContact OG1-CG 3.49Å; T645-E648 PolarHBondContact OG1-N 3.13Å; T645-E648 VanDerWaalsContact OG1-N 3.12Å; T645-L649 WeakPolarHBondContact O-CG 3.32Å; T645-L649 PolarHBondContact O-N 3.47Å; T645-V681 HydrophobicContact CG2-CB 4.22Å; T645-V681 HydrophobicContact CG2-CG1 4.23Å
646Y92.6Very high91.4Very high5 Ų527.3 Ų27.32%0.0215%0.149CC..Hα-helixtrans-63.6-31.5173.9-73.5-74.4000112.3D558 E559 K583 E639 M642 L649 S650D558-Y646 HydrophobicContact CB-CD1 3.86Å; D558-Y646 HydrophobicContact CB-CE1 4.23Å; E559-Y646 HydrophobicContact CG-CE1 4.24Å; E559-Y646 PolarHBondContact OE1-OH 3.47Å; E559-Y646 VanDerWaalsContact OE1-OH 3.05Å; K583-Y646 HydrophobicContact CB-CD1 3.42Å; K583-Y646 VanDerWaalsContact CB-CD1 3.42Å; K583-Y646 HydrophobicContact CB-CD2 4.47Å; K583-Y646 HydrophobicContact CB-CE1 3.83Å; K583-Y646 HydrophobicContact CB-CG 3.78Å; K583-Y646 HydrophobicContact CD-CD1 4.2Å; K583-Y646 HydrophobicContact CD-CE1 3.71Å; K583-Y646 HydrophobicContact CD-CE2 4.34Å; K583-Y646 HydrophobicContact CG-CD1 3.67Å; K583-Y646 HydrophobicContact CG-CD2 4Å; K583-Y646 HydrophobicContact CG-CE1 3.7Å; K583-Y646 HydrophobicContact CG-CE2 4.05Å; K583-Y646 HydrophobicContact CG-CG 3.81Å; K583-Y646 PolarHBondContact NZ-OH 3.04Å; E639-Y646 HydrophobicContact CG-CD2 3.76Å; E639-Y646 HydrophobicContact CG-CE2 3.89Å; E639-Y646 VanDerWaalsContact OE1-CD2 3.3Å; E639-Y646 WeakPolarHBondContact OE1-CD2 3.08Å; E639-Y646 PolarHBondContact OE1-N 3.31Å; M642-Y646 HydrophobicContact CE-CE1 4Å; M642-Y646 HydrophobicContact CE-CE2 4.16Å; Y646-L649 HydrophobicContact CD1-CD1 4.39Å; Y646-L649 PolarHBondContact O-N 3.3Å; Y646-S650 VanDerWaalsContact O-CB 3.26Å; Y646-S650 WeakPolarHBondContact O-CB 3.43Å; Y646-S650 PolarHBondContact O-N 3Å
647D92.2Very high92.5Very high42 Ų4226.2 Ų26.223%0.22514%0.143CC..Hα-helixtrans-65.7-42.7174.1-69.6-49.8000111.5T645 L651 I678 K680T645-D647 PolarHBondContact O-N 3.45Å; D647-L651 WeakPolarHBondContact O-CB 3.45Å; D647-L651 PolarHBondContact O-N 2.91Å; D647-I678 HydrophobicContact CB-CG2 4.15Å; D647-K680 VanDerWaalsContact CG-CE 3.49Å; D647-K680 VanDerWaalsContact CG-NZ 3.3Å; D647-K680 IonicContact OD1-NZ 3.22Å; D647-K680 PolarHBondContact OD1-NZ 3.47Å; D647-K680 WeakPolarHBondContact OD2-CE 3.3Å; D647-K680 IonicContact OD2-NZ 2.85Å; D647-K680 PolarHBondContact OD2-NZ 3.4Å
648E95.6Very high93.1Very high0 Ų028 Ų280%015%0.149CC..Hα-helixtrans-61.8-48.4173-72.6174.8146.100111L644 T645 S650 L651 F652 I678 V681 Y700 K704L644-E648 WeakPolarHBondContact CA-OE2 3.3Å; L644-E648 HydrophobicContact CD2-CB 4.46Å; T645-E648 PolarHBondContact N-OE2 2.99Å; T645-E648 WeakPolarHBondContact O-CB 3.2Å; T645-E648 PolarHBondContact O-N 2.9Å; T645-E648 WeakPolarHBondContact OG1-CG 3.49Å; T645-E648 PolarHBondContact OG1-N 3.13Å; T645-E648 VanDerWaalsContact OG1-N 3.12Å; E648-S650 PolarHBondContact O-N 3.38Å; E648-L651 PolarHBondContact O-N 2.85Å; E648-F652 HydrophobicContact CB-CE2 4.13Å; E648-F652 HydrophobicContact CB-CZ 4.27Å; E648-F652 WeakPolarHBondContact O-CB 3.26Å; E648-F652 WeakPolarHBondContact O-CD1 3.41Å; E648-F652 WeakPolarHBondContact O-CD2 3.44Å; E648-F652 WeakPolarHBondContact O-CG 3.47Å; E648-F652 PolarHBondContact O-N 2.96Å; E648-I678 HydrophobicContact CG-CD1 3.98Å; E648-V681 HydrophobicContact CG-CG2 4.07Å; E648-Y700 PolarHBondContact OE1-OH 2.93Å; E648-K704 WeakPolarHBondContact OE1-CD 3.35Å; E648-K704 WeakPolarHBondContact OE1-CE 3.4Å; E648-K704 IonicContact OE1-NZ 3.46Å; E648-K704 PolarHBondContact OE1-NZ 2.96Å; E648-K704 IonicContact OE2-NZ 3.61Å; E648-K704 PolarHBondContact OE2-NZ 2.94Å
649L95.6Very high93.7Very high0 Ų030.6 Ų30.60%017%0.169CC..Hα-helixtrans-59.5-44.6179-75173.3000112.3D558 R562 M642 L644 T645 Y646 F652 G653 F708D558-L649 HydrophobicContact CB-CB 4.29Å; D558-L649 HydrophobicContact CB-CD1 4.35Å; R562-L649 HydrophobicContact CB-CD1 4.27Å; R562-L649 HydrophobicContact CB-CD2 3.91Å; R562-L649 HydrophobicContact CG-CD2 4.19Å; M642-L649 HydrophobicContact CE-CD1 3.96Å; M642-L649 HydrophobicContact SD-CD1 3.81Å; L644-L649 HydrophobicContact CB-CD2 4.14Å; L644-L649 HydrophobicContact CB-CG 4.02Å; L644-L649 HydrophobicContact CD1-CD2 3.69Å; L644-L649 HydrophobicContact CD1-CG 4.46Å; T645-L649 WeakPolarHBondContact O-CG 3.32Å; T645-L649 PolarHBondContact O-N 3.47Å; Y646-L649 HydrophobicContact CD1-CD1 4.39Å; Y646-L649 PolarHBondContact O-N 3.3Å; L649-F652 PolarHBondContact O-N 3.46Å; L649-G653 PolarHBondContact O-N 3.42Å; L649-F708 HydrophobicContact CD2-CD2 4.17Å; L649-F708 HydrophobicContact CD2-CE2 4.43Å
650S94.7Very high94.1Very high2 Ų233.3 Ų33.31%0.01419%0.185CC..Hα-helixtrans-66.2-42.4-179.9-167.90000111.4Y646 E648 R654 Y731Y646-S650 VanDerWaalsContact O-CB 3.26Å; Y646-S650 WeakPolarHBondContact O-CB 3.43Å; Y646-S650 PolarHBondContact O-N 3Å; E648-S650 PolarHBondContact O-N 3.38Å; S650-R654 WeakPolarHBondContact O-CG 3.32Å; S650-R654 PolarHBondContact O-N 2.97Å; S650-R654 VanDerWaalsContact O-N 3.1Å; S650-R654 VanDerWaalsContact OG-CZ 3.25Å; S650-R654 PolarHBondContact OG-NH1 3.35Å; S650-R654 PolarHBondContact OG-NH2 3.27Å; S650-Y731 PolarHBondContact OG-OH 2.73Å
651L96.2Very high94.8Very high5 Ų529.4 Ų29.43%0.02616%0.159CC..Hα-helixtrans-62.9-49.5173.9177.459.8000111.6D647 E648 G653 R654 L655 L670 S674 L677 I678D647-L651 WeakPolarHBondContact O-CB 3.45Å; D647-L651 PolarHBondContact O-N 2.91Å; E648-L651 PolarHBondContact O-N 2.85Å; L651-G653 VanDerWaalsContact C-N 3.31Å; L651-G653 PolarHBondContact O-N 3.43Å; L651-R654 PolarHBondContact O-N 3.33Å; L651-L655 HydrophobicContact CD1-CD1 4.15Å; L651-L655 HydrophobicContact CD1-CG 4.11Å; L651-L655 HydrophobicContact CG-CD1 4.06Å; L651-L655 HydrophobicContact CG-CG 4.42Å; L651-L655 WeakPolarHBondContact O-CG 3.31Å; L651-L655 PolarHBondContact O-N 3.03Å; L651-L670 HydrophobicContact CD2-CD2 3.73Å; L651-L670 HydrophobicContact CG-CD2 4.48Å; L651-S674 WeakPolarHBondContact CD2-O 3.42Å; L651-L677 HydrophobicContact CD1-CB 4.4Å; L651-L677 HydrophobicContact CD1-CD1 3.76Å; L651-L677 HydrophobicContact CD2-CB 4.41Å; L651-I678 HydrophobicContact CB-CG2 3.96Å; L651-I678 HydrophobicContact CD2-CB 4.35Å; L651-I678 HydrophobicContact CD2-CD1 3.91Å; L651-I678 HydrophobicContact CD2-CG1 3.78Å; L651-I678 HydrophobicContact CD2-CG2 3.7Å; L651-I678 HydrophobicContact CG-CG2 4.47Å
652F97.6Very high95.4Very high0 Ų027.5 Ų27.50%016%0.159CC..Hα-helixtrans-64.8-36.4-178.8-62.3-11.7000111.7L644 E648 L649 L655 R656 M666 L670 I678 K704 F708L644-F652 HydrophobicContact CD2-CE2 3.95Å; E648-F652 HydrophobicContact CB-CE2 4.13Å; E648-F652 HydrophobicContact CB-CZ 4.27Å; E648-F652 WeakPolarHBondContact O-CB 3.26Å; E648-F652 WeakPolarHBondContact O-CD1 3.41Å; E648-F652 WeakPolarHBondContact O-CD2 3.44Å; E648-F652 WeakPolarHBondContact O-CG 3.47Å; E648-F652 PolarHBondContact O-N 2.96Å; L649-F652 PolarHBondContact O-N 3.46Å; F652-L655 PolarHBondContact O-N 2.99Å; F652-R656 WeakPolarHBondContact O-CB 3.31Å; F652-R656 PolarHBondContact O-N 3.27Å; F652-M666 HydrophobicContact CB-CE 4.25Å; F652-M666 HydrophobicContact CB-SD 4.02Å; F652-M666 HydrophobicContact CD1-SD 4.1Å; F652-M666 HydrophobicContact CG-SD 4.05Å; F652-M666 VanDerWaalsContact O-CE 3.3Å; F652-M666 WeakPolarHBondContact O-CE 3.39Å; F652-L670 HydrophobicContact CD1-CD1 4.31Å; F652-L670 HydrophobicContact CE1-CD1 3.68Å; F652-L670 HydrophobicContact CE1-CD2 4.02Å; F652-L670 HydrophobicContact CE1-CG 4.48Å; F652-L670 HydrophobicContact CZ-CD1 4.38Å; F652-I678 HydrophobicContact CE1-CD1 4.46Å; F652-K704 HydrophobicContact CE2-CB 4.1Å; F652-K704 HydrophobicContact CZ-CB 3.98Å; F652-F708 HydrophobicContact CB-CD1 4.23Å; F652-F708 HydrophobicContact CB-CD2 3.92Å; F652-F708 HydrophobicContact CB-CE1 4.19Å; F652-F708 HydrophobicContact CB-CE2 3.86Å; F652-F708 HydrophobicContact CB-CG 4.1Å; F652-F708 HydrophobicContact CB-CZ 4Å; F652-F708 HydrophobicContact CD2-CB 3.79Å; F652-F708 AromaticContact CD2-CD2 3.93Å; F652-F708 HydrophobicContact CD2-CD2 3.93Å; F652-F708 AromaticContact CD2-CG 3.82Å; F652-F708 HydrophobicContact CD2-CG 3.82Å; F652-F708 HydrophobicContact CE2-CB 4.28Å; F652-F708 HydrophobicContact CG-CD2 4.45Å; F652-F708 HydrophobicContact CG-CG 4.39Å
653G96.6Very high95.8Very high0 Ų027.9 Ų27.90%016%0.161CC..Hα-helixtrans-59.5-47.5172.600000112.6L561 L649 L651 R656 K657L561-G653 VanDerWaalsContact CD2-CA 3.47Å; L649-G653 PolarHBondContact O-N 3.42Å; L651-G653 VanDerWaalsContact C-N 3.31Å; L651-G653 PolarHBondContact O-N 3.43Å; G653-R656 PolarHBondContact O-N 3.4Å; G653-K657 PolarHBondContact O-N 3.2Å
654R96.5Very high96Very high88 Ų8830.8 Ų30.833%0.33216%0.163SC..Hα-helixtrans-63.5-47.9175.2-73.9-171.8-78.1-87.3-7112.2S650 L651 R656 K657 I658 S659 Y731S650-R654 WeakPolarHBondContact O-CG 3.32Å; S650-R654 PolarHBondContact O-N 2.97Å; S650-R654 VanDerWaalsContact O-N 3.1Å; S650-R654 VanDerWaalsContact OG-CZ 3.25Å; S650-R654 PolarHBondContact OG-NH1 3.35Å; S650-R654 PolarHBondContact OG-NH2 3.27Å; L651-R654 PolarHBondContact O-N 3.33Å; R654-R656 VanDerWaalsContact C-N 3.29Å; R654-R656 PolarHBondContact O-N 3.1Å; R654-K657 PolarHBondContact O-N 2.93Å; R654-I658 HydrophobicContact CB-CD1 4.23Å; R654-I658 HydrophobicContact CG-CD1 3.93Å; R654-I658 WeakPolarHBondContact O-CA 3.4Å; R654-I658 VanDerWaalsContact O-CB 3.3Å; R654-I658 WeakPolarHBondContact O-CB 3.47Å; R654-I658 PolarHBondContact O-N 2.93Å; R654-S659 PolarHBondContact O-N 3.44Å; R654-Y731 HydrophobicContact CG-CD1 3.76Å; R654-Y731 HydrophobicContact CG-CD2 4.37Å; R654-Y731 HydrophobicContact CG-CE1 3.99Å; R654-Y731 HydrophobicContact CG-CG 3.97Å
655L98.1Very high96.2Very high7 Ų732.6 Ų32.64%0.03718%0.176CC..Hα-helixtrans-58.9-42.6177.4-71176.9000111.4L651 F652 S659 N660 C661 M666 S669 L670L651-L655 HydrophobicContact CD1-CD1 4.15Å; L651-L655 HydrophobicContact CD1-CG 4.11Å; L651-L655 HydrophobicContact CG-CD1 4.06Å; L651-L655 HydrophobicContact CG-CG 4.42Å; L651-L655 WeakPolarHBondContact O-CG 3.31Å; L651-L655 PolarHBondContact O-N 3.03Å; F652-L655 PolarHBondContact O-N 2.99Å; L655-S659 CarbonylContact O-C 3.59Å; L655-S659 VanDerWaalsContact O-C 3.3Å; L655-S659 WeakPolarHBondContact O-CA 3.42Å; L655-S659 WeakPolarHBondContact O-CB 3.3Å; L655-S659 PolarHBondContact O-N 3.17Å; L655-N660 PolarHBondContact O-N 3.36Å; L655-C661 HydrophobicContact CB-CB 4.46Å; L655-C661 VanDerWaalsContact O-CB 3.29Å; L655-C661 WeakPolarHBondContact O-CB 3.47Å; L655-C661 PolarHBondContact O-N 2.66Å; L655-M666 HydrophobicContact CB-CE 4.08Å; L655-M666 HydrophobicContact CB-CG 4.28Å; L655-M666 HydrophobicContact CD1-CG 3.99Å; L655-S669 WeakPolarHBondContact CD2-OG 3.41Å; L655-L670 HydrophobicContact CD1-CD2 3.88Å; L655-L670 HydrophobicContact CD1-CG 3.96Å
656R97.8Very high96.4Very high4 Ų431.5 Ų31.52%0.01517%0.169CC..Hα-helixtrans-62.5-48.9178.5174.7-170.3164-88-13.7112.7F652 G653 R654 N660 M666 Y712 D739F652-R656 WeakPolarHBondContact O-CB 3.31Å; F652-R656 PolarHBondContact O-N 3.27Å; G653-R656 PolarHBondContact O-N 3.4Å; R654-R656 VanDerWaalsContact C-N 3.29Å; R654-R656 PolarHBondContact O-N 3.1Å; R656-N660 WeakPolarHBondContact O-CA 3.43Å; R656-M666 HydrophobicContact CB-CE 3.86Å; R656-Y712 PolarHBondContact NH2-OH 2.59Å; R656-D739 IonicContact CZ-OD2 3.51Å; R656-D739 VanDerWaalsContact CZ-OD2 3.26Å; R656-D739 IonicContact NH1-OD1 3.95Å; R656-D739 IonicContact NH1-OD2 3.28Å; R656-D739 PolarHBondContact NH1-OD2 3.03Å; R656-D739 IonicContact NH2-OD1 3.84Å; R656-D739 PolarHBondContact NH2-OD1 2.86Å; R656-D739 IonicContact NH2-OD2 3.44Å; R656-D739 PolarHBondContact NH2-OD2 2.95Å
657K95.7Very high96.7Very high40 Ų4031.2 Ų31.217%0.17417%0.169CC..Hα-helixtrans-99.7-39.9-167.9-176.156.2172.6-172.70113.7G653 R654 N660 F738 D739G653-K657 PolarHBondContact O-N 3.2Å; R654-K657 PolarHBondContact O-N 2.93Å; K657-N660 PolarHBondContact O-OD1 3.02Å; K657-F738 HydrophobicContact CD-CE1 4.44Å; K657-F738 HydrophobicContact CG-CE1 4.22Å; K657-F738 PolarHBondContact NZ-O 3.29Å; K657-D739 IonicContact NZ-OD1 3.28Å; K657-D739 PolarHBondContact NZ-OD1 2.87Å
658I94.6Very high97Very high88 Ų8833.2 Ų33.245%0.45118%0.176SC..THydrogen-bonded Turntrans-85.3-49.2179.9-59.2174.8000109.8R654 N660 A730 Y731R654-I658 HydrophobicContact CB-CD1 4.23Å; R654-I658 HydrophobicContact CG-CD1 3.93Å; R654-I658 WeakPolarHBondContact O-CA 3.4Å; R654-I658 VanDerWaalsContact O-CB 3.3Å; R654-I658 WeakPolarHBondContact O-CB 3.47Å; R654-I658 PolarHBondContact O-N 2.93Å; I658-N660 VanDerWaalsContact C-N 3.25Å; I658-N660 PolarHBondContact O-N 3.4Å; I658-A730 HydrophobicContact CD1-CB 4.29Å; I658-A730 HydrophobicContact CG1-CB 4.42Å; I658-Y731 HydrophobicContact CD1-CD1 4.47Å
659S96.3Very high97.1Very high67 Ų6734.7 Ų34.747%0.46919%0.187SC..SBendtrans-85.55.4178.9-470000113.5R654 L655 C661R654-S659 PolarHBondContact O-N 3.44Å; L655-S659 CarbonylContact O-C 3.59Å; L655-S659 VanDerWaalsContact O-C 3.3Å; L655-S659 WeakPolarHBondContact O-CA 3.42Å; L655-S659 WeakPolarHBondContact O-CB 3.3Å; L655-S659 PolarHBondContact O-N 3.17Å; S659-C661 PolarHBondContact O-N 3.27Å; S659-C661 VanDerWaalsContact O-N 3.12Å; S659-C661 PolarHBondContact O-SG 2.99Å
660N96.4Very high97.2Very high128 Ų12834.7 Ų34.768%0.68419%0.187SC*.  trans52.831.8177.7-63.6-57.6000114.9L655 R656 K657 I658L655-N660 PolarHBondContact O-N 3.36Å; R656-N660 WeakPolarHBondContact O-CA 3.43Å; K657-N660 PolarHBondContact O-OD1 3.02Å; I658-N660 VanDerWaalsContact C-N 3.25Å; I658-N660 PolarHBondContact O-N 3.4Å
661C98Very high97.2Very high15 Ų1535 Ų3510%0.10119%0.189CC..  trans-80.4129.9-176.3-69.80000113L655 S659 S665 M666L655-C661 HydrophobicContact CB-CB 4.46Å; L655-C661 VanDerWaalsContact O-CB 3.29Å; L655-C661 WeakPolarHBondContact O-CB 3.47Å; L655-C661 PolarHBondContact O-N 2.66Å; S659-C661 PolarHBondContact O-N 3.27Å; S659-C661 VanDerWaalsContact O-N 3.12Å; S659-C661 PolarHBondContact O-SG 2.99Å; C661-S665 WeakPolarHBondContact CA-OG 3.4Å; C661-S665 WeakPolarHBondContact CB-OG 3.47Å; C661-M666 HydrophobicContact CB-CB 3.88Å
662G97.4Very high97.1Very high31 Ų3142 Ų4232%0.3223%0.225SC..  trans-80.2-173.5158.900000111.3Y664 S665 M666 F709G662-Y664 PolarHBondContact O-N 3.07Å; G662-S665 PolarHBondContact N-OG 2.95Å; G662-S665 PolarHBondContact O-OG 3.43Å; G662-M666 WeakPolarHBondContact O-CB 3.39Å; G662-M666 PolarHBondContact O-N 2.96Å; G662-F709 VanDerWaalsContact C-CZ 3.48Å
663P98.4Very high97Very high9 Ų943 Ų436%0.05824%0.236CC..Hα-helixtrans-55.7-50.3-179.5-22.329.9000112.9M666 L667 F709 W749 Q752 F753 L756P663-M666 PolarHBondContact O-N 3.25Å; P663-L667 PolarHBondContact O-N 3.35Å; P663-F709 VanDerWaalsContact CA-CE2 3.43Å; P663-F709 HydrophobicContact CB-CD2 3.89Å; P663-F709 HydrophobicContact CB-CE2 4.06Å; P663-F709 HydrophobicContact CB-CG 4.18Å; P663-F709 HydrophobicContact CB-CZ 4.47Å; P663-F709 HydrophobicContact CG-CB 4.4Å; P663-F709 HydrophobicContact CG-CD1 3.74Å; P663-F709 HydrophobicContact CG-CD2 3.92Å; P663-F709 HydrophobicContact CG-CE1 3.89Å; P663-F709 HydrophobicContact CG-CE2 4.09Å; P663-F709 HydrophobicContact CG-CG 3.75Å; P663-F709 HydrophobicContact CG-CZ 4.07Å; P663-W749 HydrophobicContact CG-CD2 4.35Å; P663-W749 HydrophobicContact CG-CE3 3.83Å; P663-W749 HydrophobicContact CG-CZ3 4.05Å; P663-Q752 HydrophobicContact CB-CB 4.13Å; P663-Q752 HydrophobicContact CG-CB 4.04Å; P663-Q752 HydrophobicContact CG-CG 4.24Å; P663-F753 HydrophobicContact CB-CE1 4.41Å; P663-L756 HydrophobicContact CB-CD1 4.41Å; P663-L756 WeakPolarHBondContact O-CD2 3.39Å
664Y98.3Very high97Very high90 Ų9044.4 Ų44.435%0.35325%0.246SC..Hα-helixtrans-63.2-55.4-177-178.6-92.3000112.7G662 M666 L667 E668 C755 L756 L759G662-Y664 PolarHBondContact O-N 3.07Å; Y664-M666 PolarHBondContact O-N 3.43Å; Y664-L667 PolarHBondContact O-N 3.2Å; Y664-L667 VanDerWaalsContact O-N 3.12Å; Y664-E668 HydrophobicContact CD1-CG 4.36Å; Y664-E668 HydrophobicContact CE1-CG 3.88Å; Y664-E668 WeakPolarHBondContact CE1-OE1 3.32Å; Y664-E668 VanDerWaalsContact CE1-OE2 3.23Å; Y664-E668 WeakPolarHBondContact CE1-OE2 3.47Å; Y664-E668 PolarHBondContact O-N 3.46Å; Y664-E668 PolarHBondContact OH-OE1 3.42Å; Y664-C755 HydrophobicContact CD2-CB 3.78Å; Y664-C755 HydrophobicContact CE2-CB 4.24Å; Y664-L756 HydrophobicContact CD2-CD2 4.45Å; Y664-L759 HydrophobicContact CD2-CD2 4.47Å; Y664-L759 HydrophobicContact CE2-CB 4.06Å; Y664-L759 HydrophobicContact CE2-CD2 4.01Å; Y664-L759 HydrophobicContact CE2-CG 4.46Å
665S98.4Very high96.9Very high40 Ų4040.9 Ų40.928%0.2823%0.233SC..Hα-helixtrans-66.9-24.8-179.265.90000112.9C661 G662 S669C661-S665 WeakPolarHBondContact CA-OG 3.4Å; C661-S665 WeakPolarHBondContact CB-OG 3.47Å; G662-S665 PolarHBondContact N-OG 2.95Å; G662-S665 PolarHBondContact O-OG 3.43Å; S665-S669 VanDerWaalsContact O-CB 3.25Å; S665-S669 WeakPolarHBondContact O-CB 3.18Å; S665-S669 PolarHBondContact O-N 3.09Å
666M98.6Very high96.8Very high0 Ų045.5 Ų45.50%026%0.257CS..Hα-helixtrans-66.5-45172.3-176.3178.5-6800110.9F652 L655 R656 C661 G662 P663 Y664 S669 L670 V705 F708 F709F652-M666 HydrophobicContact CB-CE 4.25Å; F652-M666 HydrophobicContact CB-SD 4.02Å; F652-M666 HydrophobicContact CD1-SD 4.1Å; F652-M666 HydrophobicContact CG-SD 4.05Å; F652-M666 VanDerWaalsContact O-CE 3.3Å; F652-M666 WeakPolarHBondContact O-CE 3.39Å; L655-M666 HydrophobicContact CB-CE 4.08Å; L655-M666 HydrophobicContact CB-CG 4.28Å; L655-M666 HydrophobicContact CD1-CG 3.99Å; R656-M666 HydrophobicContact CB-CE 3.86Å; C661-M666 HydrophobicContact CB-CB 3.88Å; G662-M666 WeakPolarHBondContact O-CB 3.39Å; G662-M666 PolarHBondContact O-N 2.96Å; P663-M666 PolarHBondContact O-N 3.25Å; Y664-M666 PolarHBondContact O-N 3.43Å; M666-S669 PolarHBondContact O-N 3.12Å; M666-L670 HydrophobicContact CG-CD1 4.09Å; M666-L670 WeakPolarHBondContact O-CB 3.43Å; M666-L670 VanDerWaalsContact O-CG 3.25Å; M666-L670 WeakPolarHBondContact O-CG 3.46Å; M666-L670 PolarHBondContact O-N 3.43Å; M666-V705 HydrophobicContact CG-CG2 4.2Å; M666-V705 HydrophobicContact SD-CG1 4.43Å; M666-V705 HydrophobicContact SD-CG2 4.22Å; M666-F708 HydrophobicContact CE-CD1 4.28Å; M666-F708 HydrophobicContact CE-CE1 3.9Å; M666-F708 HydrophobicContact SD-CD1 4.23Å; M666-F708 HydrophobicContact SD-CE1 4.44Å; M666-F709 HydrophobicContact CB-CE2 4.33Å; M666-F709 HydrophobicContact CE-CE2 3.61Å; M666-F709 HydrophobicContact CE-CZ 3.79Å; M666-F709 HydrophobicContact SD-CE2 3.69Å; M666-F709 HydrophobicContact SD-CZ 4.46Å
667L98.4Very high96.6Very high0 Ų051.5 Ų51.50%029%0.288CS..Hα-helixtrans-64.5-42.2176.2-176.959.2000111.3P663 Y664 L670 L671 L701 N702 V705 L756 L759 V760P663-L667 PolarHBondContact O-N 3.35Å; Y664-L667 PolarHBondContact O-N 3.2Å; Y664-L667 VanDerWaalsContact O-N 3.12Å; L667-L670 PolarHBondContact O-N 3.39Å; L667-L671 HydrophobicContact CD1-CD1 4.25Å; L667-L671 HydrophobicContact CD1-CG 4.19Å; L667-L671 HydrophobicContact CG-CD1 4.03Å; L667-L671 HydrophobicContact CG-CG 4.4Å; L667-L671 WeakPolarHBondContact O-CB 3.26Å; L667-L671 VanDerWaalsContact O-CG 3.31Å; L667-L671 WeakPolarHBondContact O-CG 3.09Å; L667-L671 PolarHBondContact O-N 3.5Å; L667-L701 HydrophobicContact CD1-CB 3.75Å; L667-N702 HydrophobicContact CD1-CB 4.36Å; L667-N702 HydrophobicContact CD2-CB 3.9Å; L667-V705 HydrophobicContact CB-CG2 4.45Å; L667-V705 HydrophobicContact CD1-CG2 4.46Å; L667-L756 HydrophobicContact CB-CD2 3.72Å; L667-L756 HydrophobicContact CD2-CB 4.02Å; L667-L756 HydrophobicContact CD2-CD2 3.71Å; L667-L756 HydrophobicContact CD2-CG 4.38Å; L667-L756 HydrophobicContact CG-CD2 4.37Å; L667-L759 HydrophobicContact CB-CD2 4.27Å; L667-L759 HydrophobicContact CD2-CD2 4.05Å; L667-L759 HydrophobicContact CG-CD2 4.02Å; L667-V760 HydrophobicContact CD2-CG2 3.97Å
668E97.4Very high96.6Very high83 Ų8349.7 Ų49.739%0.38828%0.281SS..Hα-helixtrans-57.4-50.4173.6-72.7-174142.100111.7Y664 L670 L671 D672 L759Y664-E668 HydrophobicContact CD1-CG 4.36Å; Y664-E668 HydrophobicContact CE1-CG 3.88Å; Y664-E668 WeakPolarHBondContact CE1-OE1 3.32Å; Y664-E668 VanDerWaalsContact CE1-OE2 3.23Å; Y664-E668 WeakPolarHBondContact CE1-OE2 3.47Å; Y664-E668 PolarHBondContact O-N 3.46Å; Y664-E668 PolarHBondContact OH-OE1 3.42Å; E668-L670 VanDerWaalsContact C-N 3.28Å; E668-L670 PolarHBondContact O-N 3.08Å; E668-L671 PolarHBondContact O-N 3.15Å; E668-D672 WeakPolarHBondContact O-CB 3.3Å; E668-D672 PolarHBondContact O-N 2.99Å; E668-L759 HydrophobicContact CB-CD2 4.48Å; E668-L759 HydrophobicContact CG-CD1 4.34Å; E668-L759 HydrophobicContact CG-CD2 3.47Å; E668-L759 VanDerWaalsContact CG-CD2 3.47Å
669S97.7Very high96.6Very high32 Ų3249.9 Ų49.922%0.22428%0.278CS..Hα-helixtrans-61.8-35.6179.4-177.70000112.8L655 S665 M666 S674L655-S669 WeakPolarHBondContact CD2-OG 3.41Å; S665-S669 VanDerWaalsContact O-CB 3.25Å; S665-S669 WeakPolarHBondContact O-CB 3.18Å; S665-S669 PolarHBondContact O-N 3.09Å; M666-S669 PolarHBondContact O-N 3.12Å; S669-S674 WeakPolarHBondContact O-CB 3.26Å; S669-S674 PolarHBondContact O-N 3.06Å; S669-S674 VanDerWaalsContact O-N 3.14Å; S669-S674 PolarHBondContact O-OG 2.9Å; S669-S674 PolarHBondContact OG-OG 2.92Å
670L97.7Very high96.5Very high0 Ų054.1 Ų54.10%029%0.288CS..Hα-helixtrans-64.9-51.8173.1-73.4165.7000110.6L651 F652 L655 M666 L667 E668 D672 G673 S674 W675 L701 V705L651-L670 HydrophobicContact CD2-CD2 3.73Å; L651-L670 HydrophobicContact CG-CD2 4.48Å; F652-L670 HydrophobicContact CD1-CD1 4.31Å; F652-L670 HydrophobicContact CE1-CD1 3.68Å; F652-L670 HydrophobicContact CE1-CD2 4.02Å; F652-L670 HydrophobicContact CE1-CG 4.48Å; F652-L670 HydrophobicContact CZ-CD1 4.38Å; L655-L670 HydrophobicContact CD1-CD2 3.88Å; L655-L670 HydrophobicContact CD1-CG 3.96Å; M666-L670 HydrophobicContact CG-CD1 4.09Å; M666-L670 WeakPolarHBondContact O-CB 3.43Å; M666-L670 VanDerWaalsContact O-CG 3.25Å; M666-L670 WeakPolarHBondContact O-CG 3.46Å; M666-L670 PolarHBondContact O-N 3.43Å; L667-L670 PolarHBondContact O-N 3.39Å; E668-L670 VanDerWaalsContact C-N 3.28Å; E668-L670 PolarHBondContact O-N 3.08Å; L670-D672 VanDerWaalsContact C-N 3.28Å; L670-D672 PolarHBondContact O-N 3.13Å; L670-G673 PolarHBondContact O-N 3.39Å; L670-S674 PolarHBondContact O-N 3.14Å; L670-W675 PolarHBondContact O-N 3.42Å; L670-L701 HydrophobicContact CB-CD1 4.1Å; L670-L701 HydrophobicContact CD1-CD2 4.41Å; L670-V705 HydrophobicContact CD1-CG2 3.49Å; L670-V705 VanDerWaalsContact CD1-CG2 3.49Å
671L95.3Very high96.3Very high9 Ų950 Ų505%0.04727%0.268CS..Hα-helixtrans-61.9-32.9-180-70.2175000113.1L667 E668 G673 A698 L701 L759 W763L667-L671 HydrophobicContact CD1-CD1 4.25Å; L667-L671 HydrophobicContact CD1-CG 4.19Å; L667-L671 HydrophobicContact CG-CD1 4.03Å; L667-L671 HydrophobicContact CG-CG 4.4Å; L667-L671 WeakPolarHBondContact O-CB 3.26Å; L667-L671 VanDerWaalsContact O-CG 3.31Å; L667-L671 WeakPolarHBondContact O-CG 3.09Å; L667-L671 PolarHBondContact O-N 3.5Å; E668-L671 PolarHBondContact O-N 3.15Å; L671-G673 PolarHBondContact O-N 3.41Å; L671-A698 HydrophobicContact CD2-CB 3.82Å; L671-L701 HydrophobicContact CD2-CD1 4.01Å; L671-L759 HydrophobicContact CD1-CD2 4.31Å; L671-L759 HydrophobicContact CD1-CG 4.3Å; L671-W763 HydrophobicContact CB-CD2 4.47Å; L671-W763 HydrophobicContact CB-CE3 4.01Å; L671-W763 HydrophobicContact CB-CH2 3.94Å; L671-W763 HydrophobicContact CB-CZ2 4.39Å; L671-W763 HydrophobicContact CB-CZ3 3.73Å; L671-W763 HydrophobicContact CD1-CD2 4.11Å; L671-W763 HydrophobicContact CD1-CE3 3.96Å; L671-W763 HydrophobicContact CD1-CG 4.39Å; L671-W763 HydrophobicContact CD2-CD2 4.01Å; L671-W763 HydrophobicContact CD2-CE3 4.38Å; L671-W763 HydrophobicContact CD2-CG 4.38Å; L671-W763 HydrophobicContact CD2-CZ2 4.21Å; L671-W763 HydrophobicContact CG-CD2 4.43Å; L671-W763 HydrophobicContact CG-CE3 4.35Å; L671-W763 VanDerWaalsContact O-CH2 3.25Å; L671-W763 WeakPolarHBondContact O-CH2 3.46Å
672D94.3Very high96.2Very high150 Ų15049.6 Ų49.680%0.80227%0.265SS*.THydrogen-bonded Turntrans-73.60.6175.3-162.140.5000113.8E668 L670E668-D672 WeakPolarHBondContact O-CB 3.3Å; E668-D672 PolarHBondContact O-N 2.99Å; L670-D672 VanDerWaalsContact C-N 3.28Å; L670-D672 PolarHBondContact O-N 3.13Å
673G94.7Very high96.1Very high21 Ų2150.7 Ų50.722%0.21627%0.266CS..THydrogen-bonded Turntrans126.3-5.3167.700000115.3L670 L671 W675 L676L670-G673 PolarHBondContact O-N 3.39Å; L671-G673 PolarHBondContact O-N 3.41Å; G673-W675 PolarHBondContact O-N 3Å; G673-W675 VanDerWaalsContact O-N 3.09Å; G673-L676 VanDerWaalsContact O-CB 3.32Å; G673-L676 WeakPolarHBondContact O-CB 3.49Å; G673-L676 WeakPolarHBondContact O-CG 3.29Å; G673-L676 PolarHBondContact O-N 3.33Å
674S96.4Very high95.9Very high31 Ų3157.1 Ų57.122%0.21730%0.3CS..G310 helixtrans-62.5-20.2177.6-56.50000112.8L651 S669 L670 L676 L677L651-S674 WeakPolarHBondContact CD2-O 3.42Å; S669-S674 WeakPolarHBondContact O-CB 3.26Å; S669-S674 PolarHBondContact O-N 3.06Å; S669-S674 VanDerWaalsContact O-N 3.14Å; S669-S674 PolarHBondContact O-OG 2.9Å; S669-S674 PolarHBondContact OG-OG 2.92Å; L670-S674 PolarHBondContact O-N 3.14Å; S674-L676 PolarHBondContact O-N 3.19Å; S674-L676 VanDerWaalsContact O-N 3.17Å; S674-L677 PolarHBondContact O-N 3.35Å
675W95.7Very high95.7Very high14 Ų1457.3 Ų57.35%0.05331%0.314CS..G310 helixtrans-58-24172.670.2-106.9000113.2L670 G673 L677 I678 K679 I682 F687 P693 L697 L701L670-W675 PolarHBondContact O-N 3.42Å; G673-W675 PolarHBondContact O-N 3Å; G673-W675 VanDerWaalsContact O-N 3.09Å; W675-L677 PolarHBondContact O-N 3.4Å; W675-L677 VanDerWaalsContact O-N 3.16Å; W675-I678 CarbonylContact O-C 3.51Å; W675-I678 VanDerWaalsContact O-CG1 3.25Å; W675-I678 WeakPolarHBondContact O-CG1 3.28Å; W675-I678 PolarHBondContact O-N 2.85Å; W675-K679 HydrophobicContact CE3-CB 4.19Å; W675-K679 HydrophobicContact CE3-CG 4.47Å; W675-K679 HydrophobicContact CH2-CD 4.37Å; W675-K679 HydrophobicContact CZ3-CB 3.92Å; W675-K679 HydrophobicContact CZ3-CD 3.77Å; W675-K679 HydrophobicContact CZ3-CG 3.79Å; W675-K679 PolarHBondContact O-N 3.09Å; W675-I682 HydrophobicContact CB-CD1 3.96Å; W675-I682 HydrophobicContact CE3-CD1 4.01Å; W675-F687 AromaticContact CE3-CE1 3.86Å; W675-F687 HydrophobicContact CE3-CE1 3.86Å; W675-F687 AromaticContact CE3-CZ 3.93Å; W675-F687 HydrophobicContact CE3-CZ 3.93Å; W675-F687 HydrophobicContact CH2-CD1 4.22Å; W675-F687 AromaticContact CH2-CE1 3.44Å; W675-F687 HydrophobicContact CH2-CE1 3.44Å; W675-F687 VanDerWaalsContact CH2-CE1 3.44Å; W675-F687 HydrophobicContact CH2-CZ 4.19Å; W675-F687 HydrophobicContact CZ2-CE1 4.2Å; W675-F687 HydrophobicContact CZ3-CD1 4.35Å; W675-F687 AromaticContact CZ3-CE1 3.23Å; W675-F687 HydrophobicContact CZ3-CE1 3.23Å; W675-F687 AromaticContact CZ3-CZ 3.51Å; W675-F687 HydrophobicContact CZ3-CZ 3.51Å; W675-P693 HydrophobicContact CZ2-CG 3.64Å; W675-L697 HydrophobicContact CD2-CD2 4.1Å; W675-L697 HydrophobicContact CG-CD2 4.14Å; W675-L697 HydrophobicContact CZ2-CD2 4.5Å; W675-L701 HydrophobicContact CB-CD1 4.04Å; W675-L701 HydrophobicContact CB-CD2 4.24Å
676L95.5Very high95.5Very high104 Ų10455.6 Ų55.655%0.54530%0.302SS..G310 helixtrans-57.2-32.3179-74.6166.7000112.5G673 S674 I678 K679G673-L676 VanDerWaalsContact O-CB 3.32Å; G673-L676 WeakPolarHBondContact O-CB 3.49Å; G673-L676 WeakPolarHBondContact O-CG 3.29Å; G673-L676 PolarHBondContact O-N 3.33Å; S674-L676 PolarHBondContact O-N 3.19Å; S674-L676 VanDerWaalsContact O-N 3.17Å; L676-I678 PolarHBondContact O-N 3.17Å; L676-K679 PolarHBondContact O-N 2.82Å
677L94.5Very high95.3Very high129 Ų12956.9 Ų56.968%0.67531%0.308SS*.G310 helixtrans-66.5-20.7178.6-63.2175.8000113L651 S674 W675L651-L677 HydrophobicContact CD1-CB 4.4Å; L651-L677 HydrophobicContact CD1-CD1 3.76Å; L651-L677 HydrophobicContact CD2-CB 4.41Å; S674-L677 PolarHBondContact O-N 3.35Å; W675-L677 PolarHBondContact O-N 3.4Å; W675-L677 VanDerWaalsContact O-N 3.16Å
678I95.2Very high95Very high3 Ų361.2 Ų61.22%0.01533%0.328CS..G310 helixtrans-120.315.417959.2164000112.1D647 E648 L651 F652 W675 L676 K680 V681 I682D647-I678 HydrophobicContact CB-CG2 4.15Å; E648-I678 HydrophobicContact CG-CD1 3.98Å; L651-I678 HydrophobicContact CB-CG2 3.96Å; L651-I678 HydrophobicContact CD2-CB 4.35Å; L651-I678 HydrophobicContact CD2-CD1 3.91Å; L651-I678 HydrophobicContact CD2-CG1 3.78Å; L651-I678 HydrophobicContact CD2-CG2 3.7Å; L651-I678 HydrophobicContact CG-CG2 4.47Å; F652-I678 HydrophobicContact CE1-CD1 4.46Å; W675-I678 CarbonylContact O-C 3.51Å; W675-I678 VanDerWaalsContact O-CG1 3.25Å; W675-I678 WeakPolarHBondContact O-CG1 3.28Å; W675-I678 PolarHBondContact O-N 2.85Å; L676-I678 PolarHBondContact O-N 3.17Å; I678-K680 PolarHBondContact O-N 3.27Å; I678-V681 HydrophobicContact CB-CG2 3.94Å; I678-V681 WeakPolarHBondContact O-CG2 3.49Å; I678-V681 PolarHBondContact O-N 2.97Å; I678-I682 HydrophobicContact CD1-CD1 4.4Å; I678-I682 HydrophobicContact CG1-CD1 4.17Å; I678-I682 HydrophobicContact CG1-CG1 4.45Å
679K94.9Very high94.4Very high92 Ų9267.4 Ų67.440%0.436%0.357SS..G310 helixtrans-49.1-40.2-177.1179173-171.8174.20112.9W675 L676 V681 I682 F687W675-K679 HydrophobicContact CE3-CB 4.19Å; W675-K679 HydrophobicContact CE3-CG 4.47Å; W675-K679 HydrophobicContact CH2-CD 4.37Å; W675-K679 HydrophobicContact CZ3-CB 3.92Å; W675-K679 HydrophobicContact CZ3-CD 3.77Å; W675-K679 HydrophobicContact CZ3-CG 3.79Å; W675-K679 PolarHBondContact O-N 3.09Å; L676-K679 PolarHBondContact O-N 2.82Å; K679-V681 PolarHBondContact O-N 2.81Å; K679-V681 VanDerWaalsContact O-N 3.13Å; K679-I682 PolarHBondContact O-N 3.44Å; K679-I682 VanDerWaalsContact O-N 3.11Å; K679-F687 HydrophobicContact CG-CE2 4.48Å; K679-F687 HydrophobicContact CG-CZ 4.18Å
680K93.6Very high94Very high156 Ų15670.2 Ų70.268%0.67837%0.369SS*.G310 helixtrans-60.4-19.4-178.367.7177.9-179.8168.10114.9D647 I678D647-K680 VanDerWaalsContact CG-CE 3.49Å; D647-K680 VanDerWaalsContact CG-NZ 3.3Å; D647-K680 IonicContact OD1-NZ 3.22Å; D647-K680 PolarHBondContact OD1-NZ 3.47Å; D647-K680 WeakPolarHBondContact OD2-CE 3.3Å; D647-K680 IonicContact OD2-NZ 2.85Å; D647-K680 PolarHBondContact OD2-NZ 3.4Å; I678-K680 PolarHBondContact O-N 3.27Å
681V93Very high93.4Very high41 Ų4171.5 Ų71.525%0.24838%0.383CS..G310 helixtrans-108.3-2.7178.5-59.60000113.1T645 E648 I678 K679T645-V681 HydrophobicContact CG2-CB 4.22Å; T645-V681 HydrophobicContact CG2-CG1 4.23Å; E648-V681 HydrophobicContact CG-CG2 4.07Å; I678-V681 HydrophobicContact CB-CG2 3.94Å; I678-V681 WeakPolarHBondContact O-CG2 3.49Å; I678-V681 PolarHBondContact O-N 2.97Å; K679-V681 PolarHBondContact O-N 2.81Å; K679-V681 VanDerWaalsContact O-N 3.13Å
682I95.5Very high93Very high7 Ų776.9 Ų76.94%0.03641%0.406CS..SBendtrans-84.6133.3176.8-60.8179.1000108.4W675 I678 K679 C686 F687 L697 Y700 L701W675-I682 HydrophobicContact CB-CD1 3.96Å; W675-I682 HydrophobicContact CE3-CD1 4.01Å; I678-I682 HydrophobicContact CD1-CD1 4.4Å; I678-I682 HydrophobicContact CG1-CD1 4.17Å; I678-I682 HydrophobicContact CG1-CG1 4.45Å; K679-I682 PolarHBondContact O-N 3.44Å; K679-I682 VanDerWaalsContact O-N 3.11Å; I682-C686 HydrophobicContact CG2-CB 3.66Å; I682-F687 HydrophobicContact CB-CE2 3.97Å; I682-F687 HydrophobicContact CB-CZ 4Å; I682-F687 HydrophobicContact CD1-CZ 4.34Å; I682-F687 HydrophobicContact CG2-CE2 3.68Å; I682-F687 HydrophobicContact CG2-CZ 3.7Å; I682-L697 HydrophobicContact CD1-CD1 3.98Å; I682-L697 HydrophobicContact CG2-CD1 3.86Å; I682-Y700 HydrophobicContact CB-CE1 4.42Å; I682-Y700 HydrophobicContact CG1-CD1 4.46Å; I682-Y700 HydrophobicContact CG1-CE1 3.94Å; I682-Y700 HydrophobicContact CG2-CD1 4.14Å; I682-Y700 HydrophobicContact CG2-CE1 4.23Å; I682-L701 HydrophobicContact CD1-CD2 4.38Å
683P95.2Very high92.8Very high54 Ų5471.3 Ų71.335%0.35138%0.378SS..  trans-57.4139.3178-24.933.7000112.8S685 C686 Y700P683-S685 PolarHBondContact O-N 3.4Å; P683-C686 VanDerWaalsContact O-CB 3.28Å; P683-C686 WeakPolarHBondContact O-CB 3.24Å; P683-C686 PolarHBondContact O-N 2.93Å; P683-C686 PolarHBondContact O-SG 2.87Å; P683-Y700 HydrophobicContact CG-CD2 4.09Å; P683-Y700 HydrophobicContact CG-CE2 3.81Å
684D93.8Very high92.6Very high144 Ų14470.7 Ų70.777%0.7737%0.372SS*.G310 helixtrans-56.5-27.4178.5-70.2-31.8000112.9C686 F687D684-C686 PolarHBondContact O-N 2.93Å; D684-C686 VanDerWaalsContact O-N 3.11Å; D684-F687 PolarHBondContact O-N 3.11Å
685S94.1Very high92.3Very high93 Ų9370.7 Ų70.765%0.6537%0.373SS*.G310 helixtrans-61.8-16.2175.263.80000114.2P683P683-S685 PolarHBondContact O-N 3.4Å
686C95Very high92.2Very high4 Ų475.1 Ų75.13%0.02740%0.395CS..G310 helixtrans-79.1-8175.1-60.10000112.7I682 P683 D684 G694 L697I682-C686 HydrophobicContact CG2-CB 3.66Å; P683-C686 VanDerWaalsContact O-CB 3.28Å; P683-C686 WeakPolarHBondContact O-CB 3.24Å; P683-C686 PolarHBondContact O-N 2.93Å; P683-C686 PolarHBondContact O-SG 2.87Å; D684-C686 PolarHBondContact O-N 2.93Å; D684-C686 VanDerWaalsContact O-N 3.11Å; C686-G694 WeakPolarHBondContact O-CA 3.48Å; C686-G694 PolarHBondContact O-N 3.07Å; C686-L697 HydrophobicContact CB-CB 4.06Å; C686-L697 HydrophobicContact CB-CD1 3.96Å
687F94.4Very high92.3Very high28 Ų2870.2 Ų70.212%0.12337%0.369CS..BIsolated β-bridgetrans-119.1153.4-175.5-54.4-70.8000111.6W675 K679 I682 D684 K692 L697W675-F687 AromaticContact CE3-CE1 3.86Å; W675-F687 HydrophobicContact CE3-CE1 3.86Å; W675-F687 AromaticContact CE3-CZ 3.93Å; W675-F687 HydrophobicContact CE3-CZ 3.93Å; W675-F687 HydrophobicContact CH2-CD1 4.22Å; W675-F687 AromaticContact CH2-CE1 3.44Å; W675-F687 HydrophobicContact CH2-CE1 3.44Å; W675-F687 VanDerWaalsContact CH2-CE1 3.44Å; W675-F687 HydrophobicContact CH2-CZ 4.19Å; W675-F687 HydrophobicContact CZ2-CE1 4.2Å; W675-F687 HydrophobicContact CZ3-CD1 4.35Å; W675-F687 AromaticContact CZ3-CE1 3.23Å; W675-F687 HydrophobicContact CZ3-CE1 3.23Å; W675-F687 AromaticContact CZ3-CZ 3.51Å; W675-F687 HydrophobicContact CZ3-CZ 3.51Å; K679-F687 HydrophobicContact CG-CE2 4.48Å; K679-F687 HydrophobicContact CG-CZ 4.18Å; I682-F687 HydrophobicContact CB-CE2 3.97Å; I682-F687 HydrophobicContact CB-CZ 4Å; I682-F687 HydrophobicContact CD1-CZ 4.34Å; I682-F687 HydrophobicContact CG2-CE2 3.68Å; I682-F687 HydrophobicContact CG2-CZ 3.7Å; D684-F687 PolarHBondContact O-N 3.11Å; F687-K692 CarbonylContact C-O 3.59Å; F687-K692 VanDerWaalsContact CA-O 3.32Å; F687-K692 WeakPolarHBondContact CA-O 3.45Å; F687-L697 HydrophobicContact CE1-CD1 4.31Å; F687-L697 HydrophobicContact CE1-CD2 4.42Å; F687-L697 HydrophobicContact CZ-CD1 4.35Å
688Q90.3Very high92.3Very high90 Ų9064 Ų6442%0.42134%0.337SS..  trans-77.1167.2169.2-57.3-178.927.300110D690 G691 K692 P693Q688-D690 PolarHBondContact O-N 2.87Å; Q688-D690 VanDerWaalsContact O-N 3.13Å; Q688-G691 WeakPolarHBondContact O-CA 3.26Å; Q688-G691 PolarHBondContact O-N 3.42Å; Q688-K692 PolarHBondContact N-O 2.6Å; Q688-P693 PolarHBondContact NE2-O 3.42Å; Q688-P693 VanDerWaalsContact NE2-O 3.09Å
689E86.5Confident92.4Very high213 Ų21367.4 Ų67.4100%0.99535%0.352SS*.THydrogen-bonded Turntrans-57.4-28.9179.4-70.7-174170.400113.5G691E689-G691 PolarHBondContact O-N 3.39Å
690D87.9Confident92.5Very high91 Ų9164.8 Ų64.849%0.48734%0.34SS..THydrogen-bonded Turntrans-81.83.3176.374.1-7.1000113.7Q688 K692Q688-D690 PolarHBondContact O-N 2.87Å; Q688-D690 VanDerWaalsContact O-N 3.13Å; D690-K692 VanDerWaalsContact C-N 3.32Å; D690-K692 PolarHBondContact O-N 2.72Å; D690-K692 VanDerWaalsContact OD1-CB 3.23Å; D690-K692 WeakPolarHBondContact OD1-CB 3.43Å; D690-K692 WeakPolarHBondContact OD1-CG 3.45Å; D690-K692 PolarHBondContact OD1-N 2.92Å; D690-K692 VanDerWaalsContact OD2-CD 3.23Å; D690-K692 WeakPolarHBondContact OD2-CD 3.25Å; D690-K692 WeakPolarHBondContact OD2-CE 3.29Å; D690-K692 IonicContact OD2-NZ 3.35Å; D690-K692 PolarHBondContact OD2-NZ 3.36Å
691G85.5Confident92.7Very high27 Ų2757.3 Ų57.328%0.27831%0.308SS..SBendtrans79.65.4179.400000115Q688 E689Q688-G691 WeakPolarHBondContact O-CA 3.26Å; Q688-G691 PolarHBondContact O-N 3.42Å; E689-G691 PolarHBondContact O-N 3.39Å
692K87.2Confident92.9Very high122 Ų12255.8 Ų55.853%0.5330%0.298SS..PPolyproline II helixtrans-76.3157.1173.1-67.9-178.9-169.4134.20111.8F687 Q688 D690 G694F687-K692 CarbonylContact C-O 3.59Å; F687-K692 VanDerWaalsContact CA-O 3.32Å; F687-K692 WeakPolarHBondContact CA-O 3.45Å; Q688-K692 PolarHBondContact N-O 2.6Å; D690-K692 VanDerWaalsContact C-N 3.32Å; D690-K692 PolarHBondContact O-N 2.72Å; D690-K692 VanDerWaalsContact OD1-CB 3.23Å; D690-K692 WeakPolarHBondContact OD1-CB 3.43Å; D690-K692 WeakPolarHBondContact OD1-CG 3.45Å; D690-K692 PolarHBondContact OD1-N 2.92Å; D690-K692 VanDerWaalsContact OD2-CD 3.23Å; D690-K692 WeakPolarHBondContact OD2-CD 3.25Å; D690-K692 WeakPolarHBondContact OD2-CE 3.29Å; D690-K692 IonicContact OD2-NZ 3.35Å; D690-K692 PolarHBondContact OD2-NZ 3.36Å; K692-G694 PolarHBondContact O-N 3.08Å
693P90.3Very high93Very high33 Ų3361.9 Ų61.921%0.21433%0.326CS..BIsolated β-bridgetrans-51132.1172.4-30.338000113.2W675 Q688 L697 F767W675-P693 HydrophobicContact CZ2-CG 3.64Å; Q688-P693 PolarHBondContact NE2-O 3.42Å; Q688-P693 VanDerWaalsContact NE2-O 3.09Å; P693-L697 HydrophobicContact CB-CD2 3.73Å; P693-L697 HydrophobicContact CG-CD2 4.09Å; P693-F767 WeakPolarHBondContact O-CE1 3.49Å
694G90.7Very high93.1Very high9 Ų961 Ų619%0.09332%0.317CS..PPolyproline II helixtrans-99.7173.4165.500000111.9C686 K692 E696 L697C686-G694 WeakPolarHBondContact O-CA 3.48Å; C686-G694 PolarHBondContact O-N 3.07Å; K692-G694 PolarHBondContact O-N 3.08Å; G694-E696 VanDerWaalsContact C-N 3.26Å; G694-E696 PolarHBondContact O-N 2.91Å; G694-L697 WeakPolarHBondContact O-CB 3.33Å; G694-L697 PolarHBondContact O-N 2.91Å
695A90Very high93.4Very high30 Ų3054.1 Ų54.125%0.24828%0.28CS..Hα-helixtrans-58.8-35.6178.100000113L697 A698 V764 F767A695-L697 PolarHBondContact O-N 2.78Å; A695-A698 PolarHBondContact O-N 2.8Å; A695-V764 HydrophobicContact CB-CG1 4.23Å; A695-V764 HydrophobicContact CB-CG2 4.24Å; A695-F767 HydrophobicContact CB-CB 4.39Å; A695-F767 HydrophobicContact CB-CG 4.45Å
696E94.2Very high93.5Very high108 Ų10851.8 Ų51.851%0.50526%0.258SS..Hα-helixtrans-64.2-24.3-179.9-70.8-57.6141.100113.8G694 A698 H699 Y700G694-E696 VanDerWaalsContact C-N 3.26Å; G694-E696 PolarHBondContact O-N 2.91Å; E696-A698 VanDerWaalsContact C-N 3.25Å; E696-A698 PolarHBondContact O-N 2.91Å; E696-H699 PolarHBondContact O-N 3.22Å; E696-Y700 PolarHBondContact O-N 3.38Å
697L95.8Very high93.7Very high0 Ų054 Ų540%027%0.27CS..Hα-helixtrans-57.6-41.2178.1-177.964.3000111.5W675 I682 C686 F687 P693 G694 A695 Y700 L701W675-L697 HydrophobicContact CD2-CD2 4.1Å; W675-L697 HydrophobicContact CG-CD2 4.14Å; W675-L697 HydrophobicContact CZ2-CD2 4.5Å; I682-L697 HydrophobicContact CD1-CD1 3.98Å; I682-L697 HydrophobicContact CG2-CD1 3.86Å; C686-L697 HydrophobicContact CB-CB 4.06Å; C686-L697 HydrophobicContact CB-CD1 3.96Å; F687-L697 HydrophobicContact CE1-CD1 4.31Å; F687-L697 HydrophobicContact CE1-CD2 4.42Å; F687-L697 HydrophobicContact CZ-CD1 4.35Å; P693-L697 HydrophobicContact CB-CD2 3.73Å; P693-L697 HydrophobicContact CG-CD2 4.09Å; G694-L697 WeakPolarHBondContact O-CB 3.33Å; G694-L697 PolarHBondContact O-N 2.91Å; A695-L697 PolarHBondContact O-N 2.78Å; L697-Y700 PolarHBondContact O-N 2.94Å; L697-L701 HydrophobicContact CD1-CD1 3.91Å; L697-L701 HydrophobicContact CD1-CG 4.1Å; L697-L701 HydrophobicContact CD2-CD1 4.38Å; L697-L701 HydrophobicContact CG-CD1 3.77Å; L697-L701 HydrophobicContact CG-CG 4.34Å; L697-L701 WeakPolarHBondContact O-CB 3.42Å; L697-L701 VanDerWaalsContact O-CG 3.27Å; L697-L701 WeakPolarHBondContact O-CG 3.19Å; L697-L701 PolarHBondContact O-N 3.19Å
698A96Very high93.8Very high0 Ų052.7 Ų52.70%026%0.264CS..Hα-helixtrans-67.9-38.5-179.200000112.2L671 A695 E696 N702 V760 W763L671-A698 HydrophobicContact CD2-CB 3.82Å; A695-A698 PolarHBondContact O-N 2.8Å; E696-A698 VanDerWaalsContact C-N 3.25Å; E696-A698 PolarHBondContact O-N 2.91Å; A698-N702 WeakPolarHBondContact O-CB 3.04Å; A698-N702 PolarHBondContact O-N 2.95Å; A698-V760 HydrophobicContact CB-CB 4.5Å; A698-V760 HydrophobicContact CB-CG1 3.94Å; A698-V760 HydrophobicContact CB-CG2 4.27Å; A698-W763 HydrophobicContact CB-CB 4.19Å; A698-W763 VanDerWaalsContact CB-CD1 3.48Å; A698-W763 HydrophobicContact CB-CG 3.91Å
699H96.8Very high94.2Very high73 Ų7348.8 Ų48.834%0.33825%0.246SC..Hα-helixtrans-64.3-46.1174-71.3-63000111.7E696 N702 Q703 V760E696-H699 PolarHBondContact O-N 3.22Å; H699-N702 PolarHBondContact O-N 2.75Å; H699-Q703 WeakPolarHBondContact O-CG 3.46Å; H699-Q703 PolarHBondContact O-N 2.75Å; H699-V760 WeakPolarHBondContact CE1-CG1 3.35Å; H699-V760 WeakPolarHBondContact ND1-CG1 3.47Å
700Y96.8Very high94.7Very high37 Ų3744.2 Ų44.215%0.14522%0.219CC..Hα-helixtrans-57.4-53.4176.7177.3-93.1000111.6E648 I682 P683 E696 L697 N702 Q703 K704E648-Y700 PolarHBondContact OE1-OH 2.93Å; I682-Y700 HydrophobicContact CB-CE1 4.42Å; I682-Y700 HydrophobicContact CG1-CD1 4.46Å; I682-Y700 HydrophobicContact CG1-CE1 3.94Å; I682-Y700 HydrophobicContact CG2-CD1 4.14Å; I682-Y700 HydrophobicContact CG2-CE1 4.23Å; P683-Y700 HydrophobicContact CG-CD2 4.09Å; P683-Y700 HydrophobicContact CG-CE2 3.81Å; E696-Y700 PolarHBondContact O-N 3.38Å; L697-Y700 PolarHBondContact O-N 2.94Å; Y700-N702 PolarHBondContact O-N 3.45Å; Y700-Q703 PolarHBondContact O-N 3.27Å; Y700-K704 HydrophobicContact CD1-CG 4.26Å; Y700-K704 HydrophobicContact CE1-CG 3.86Å; Y700-K704 HydrophobicContact CE2-CG 4.35Å; Y700-K704 VanDerWaalsContact O-CG 3.28Å; Y700-K704 WeakPolarHBondContact O-CG 3.47Å; Y700-K704 PolarHBondContact O-N 3.44Å; Y700-K704 WeakPolarHBondContact OH-CE 3.21Å; Y700-K704 PolarHBondContact OH-NZ 2.83Å
701L97.7Very high95.2Very high0 Ų043 Ų430%021%0.209CC..Hα-helixtrans-64.1-40.4-177.9-66.8171.2000111.8L667 L670 L671 W675 I682 L697 Q703 K704 V705L667-L701 HydrophobicContact CD1-CB 3.75Å; L670-L701 HydrophobicContact CB-CD1 4.1Å; L670-L701 HydrophobicContact CD1-CD2 4.41Å; L671-L701 HydrophobicContact CD2-CD1 4.01Å; W675-L701 HydrophobicContact CB-CD1 4.04Å; W675-L701 HydrophobicContact CB-CD2 4.24Å; I682-L701 HydrophobicContact CD1-CD2 4.38Å; L697-L701 HydrophobicContact CD1-CD1 3.91Å; L697-L701 HydrophobicContact CD1-CG 4.1Å; L697-L701 HydrophobicContact CD2-CD1 4.38Å; L697-L701 HydrophobicContact CG-CD1 3.77Å; L697-L701 HydrophobicContact CG-CG 4.34Å; L697-L701 WeakPolarHBondContact O-CB 3.42Å; L697-L701 VanDerWaalsContact O-CG 3.27Å; L697-L701 WeakPolarHBondContact O-CG 3.19Å; L697-L701 PolarHBondContact O-N 3.19Å; L701-Q703 PolarHBondContact O-N 3.44Å; L701-K704 PolarHBondContact O-N 3.18Å; L701-V705 WeakPolarHBondContact O-CB 3.42Å; L701-V705 VanDerWaalsContact O-CG2 3.29Å; L701-V705 WeakPolarHBondContact O-CG2 3.44Å; L701-V705 PolarHBondContact O-N 2.9Å
702N97.8Very high95.7Very high8 Ų842 Ų424%0.04320%0.198CC..Hα-helixtrans-59.5-47.7175.4177.626000111.8L667 A698 H699 Y700 K704 V705 K706 L756 D757 V760L667-N702 HydrophobicContact CD1-CB 4.36Å; L667-N702 HydrophobicContact CD2-CB 3.9Å; A698-N702 WeakPolarHBondContact O-CB 3.04Å; A698-N702 PolarHBondContact O-N 2.95Å; H699-N702 PolarHBondContact O-N 2.75Å; Y700-N702 PolarHBondContact O-N 3.45Å; N702-K704 VanDerWaalsContact C-N 3.29Å; N702-K704 PolarHBondContact O-N 3.49Å; N702-V705 PolarHBondContact O-N 2.97Å; N702-K706 WeakPolarHBondContact O-CB 3.47Å; N702-K706 WeakPolarHBondContact O-CG 3.33Å; N702-K706 PolarHBondContact O-N 3.46Å; N702-K706 VanDerWaalsContact OD1-CE 3.24Å; N702-K706 WeakPolarHBondContact OD1-CE 3.43Å; N702-L756 VanDerWaalsContact OD1-CB 3.24Å; N702-L756 WeakPolarHBondContact OD1-CB 3.23Å; N702-D757 PolarHBondContact ND2-OD1 3.02Å; N702-V760 HydrophobicContact CB-CG2 3.52Å
703Q97.6Very high96.2Very high135 Ų13536.4 Ų36.463%0.63117%0.174SC*.Hα-helixtrans-58.7-42.5176.9-72.5179.58.500111.7H699 Y700 L701 K706 L707H699-Q703 WeakPolarHBondContact O-CG 3.46Å; H699-Q703 PolarHBondContact O-N 2.75Å; Y700-Q703 PolarHBondContact O-N 3.27Å; L701-Q703 PolarHBondContact O-N 3.44Å; Q703-K706 PolarHBondContact O-N 3.5Å; Q703-L707 WeakPolarHBondContact O-CB 3.5Å; Q703-L707 PolarHBondContact O-N 3.12Å
704K97.7Very high96.5Very high36 Ų3638 Ų3816%0.15718%0.18CC..Hα-helixtrans-66.8-43.3178.9-68.3-75.1-179.5154.20112.8G643 L644 E648 F652 Y700 L701 N702 L707 F708G643-K704 PolarHBondContact O-NZ 3.43Å; L644-K704 HydrophobicContact CD2-CB 4.31Å; L644-K704 HydrophobicContact CD2-CD 3.52Å; E648-K704 WeakPolarHBondContact OE1-CD 3.35Å; E648-K704 WeakPolarHBondContact OE1-CE 3.4Å; E648-K704 IonicContact OE1-NZ 3.46Å; E648-K704 PolarHBondContact OE1-NZ 2.96Å; E648-K704 IonicContact OE2-NZ 3.61Å; E648-K704 PolarHBondContact OE2-NZ 2.94Å; F652-K704 HydrophobicContact CE2-CB 4.1Å; F652-K704 HydrophobicContact CZ-CB 3.98Å; Y700-K704 HydrophobicContact CD1-CG 4.26Å; Y700-K704 HydrophobicContact CE1-CG 3.86Å; Y700-K704 HydrophobicContact CE2-CG 4.35Å; Y700-K704 VanDerWaalsContact O-CG 3.28Å; Y700-K704 WeakPolarHBondContact O-CG 3.47Å; Y700-K704 PolarHBondContact O-N 3.44Å; Y700-K704 WeakPolarHBondContact OH-CE 3.21Å; Y700-K704 PolarHBondContact OH-NZ 2.83Å; L701-K704 PolarHBondContact O-N 3.18Å; N702-K704 VanDerWaalsContact C-N 3.29Å; N702-K704 PolarHBondContact O-N 3.49Å; K704-L707 PolarHBondContact O-N 3.32Å; K704-F708 WeakPolarHBondContact O-CB 3.24Å; K704-F708 PolarHBondContact O-N 3.3Å
705V98.3Very high96.8Very high0 Ų038.6 Ų38.60%018%0.181CC..Hα-helixtrans-62.5-45.7174.91710000110.8M666 L667 L670 L701 N702 L707 F708 F709 L756M666-V705 HydrophobicContact CG-CG2 4.2Å; M666-V705 HydrophobicContact SD-CG1 4.43Å; M666-V705 HydrophobicContact SD-CG2 4.22Å; L667-V705 HydrophobicContact CB-CG2 4.45Å; L667-V705 HydrophobicContact CD1-CG2 4.46Å; L670-V705 HydrophobicContact CD1-CG2 3.49Å; L670-V705 VanDerWaalsContact CD1-CG2 3.49Å; L701-V705 WeakPolarHBondContact O-CB 3.42Å; L701-V705 VanDerWaalsContact O-CG2 3.29Å; L701-V705 WeakPolarHBondContact O-CG2 3.44Å; L701-V705 PolarHBondContact O-N 2.9Å; N702-V705 PolarHBondContact O-N 2.97Å; V705-L707 VanDerWaalsContact C-N 3.33Å; V705-L707 PolarHBondContact O-N 3.48Å; V705-F708 PolarHBondContact O-N 3.07Å; V705-F709 HydrophobicContact CG1-CD2 3.91Å; V705-F709 HydrophobicContact CG1-CE2 4.17Å; V705-F709 WeakPolarHBondContact O-CD2 3.41Å; V705-F709 PolarHBondContact O-N 3.38Å; V705-L756 HydrophobicContact CG1-CD1 4.06Å
706K98.2Very high97.1Very high43 Ų4337.4 Ų37.419%0.18717%0.17CC..Hα-helixtrans-59-45.5175.8-75.4-179.1170-173.80111.5N702 Q703 R710 F753 L756 D757N702-K706 WeakPolarHBondContact O-CB 3.47Å; N702-K706 WeakPolarHBondContact O-CG 3.33Å; N702-K706 PolarHBondContact O-N 3.46Å; N702-K706 VanDerWaalsContact OD1-CE 3.24Å; N702-K706 WeakPolarHBondContact OD1-CE 3.43Å; Q703-K706 PolarHBondContact O-N 3.5Å; K706-R710 WeakPolarHBondContact O-CB 3.24Å; K706-R710 PolarHBondContact O-N 2.92Å; K706-F753 HydrophobicContact CB-CD2 4.36Å; K706-F753 HydrophobicContact CB-CE1 4.28Å; K706-F753 HydrophobicContact CB-CE2 3.96Å; K706-F753 HydrophobicContact CB-CZ 3.93Å; K706-F753 HydrophobicContact CD-CD2 4.18Å; K706-F753 HydrophobicContact CD-CG 4.22Å; K706-F753 HydrophobicContact CG-CD1 3.88Å; K706-F753 HydrophobicContact CG-CD2 3.93Å; K706-F753 HydrophobicContact CG-CE1 3.95Å; K706-F753 HydrophobicContact CG-CE2 3.99Å; K706-F753 HydrophobicContact CG-CG 3.88Å; K706-F753 HydrophobicContact CG-CZ 4.01Å; K706-F753 WeakPolarHBondContact O-CZ 2.85Å; K706-L756 HydrophobicContact CG-CD1 3.73Å; K706-D757 IonicContact NZ-OD1 2.78Å; K706-D757 PolarHBondContact NZ-OD1 3.21Å; K706-D757 IonicContact NZ-OD2 3.55Å; K706-D757 PolarHBondContact NZ-OD2 3Å
707L97.3Very high97.2Very high52 Ų5235.2 Ų35.227%0.27216%0.16SC..Hα-helixtrans-60.5-48178.2-168.668000111.4G643 L644 Q703 K704 V705 F711G643-L707 WeakPolarHBondContact O-CD2 3.27Å; L644-L707 HydrophobicContact CD2-CD2 4.22Å; L644-L707 HydrophobicContact CG-CD2 4.06Å; Q703-L707 WeakPolarHBondContact O-CB 3.5Å; Q703-L707 PolarHBondContact O-N 3.12Å; K704-L707 PolarHBondContact O-N 3.32Å; V705-L707 VanDerWaalsContact C-N 3.33Å; V705-L707 PolarHBondContact O-N 3.48Å; L707-F711 HydrophobicContact CD1-CD2 3.74Å; L707-F711 HydrophobicContact CD1-CE2 3.51Å; L707-F711 HydrophobicContact CG-CD2 4.09Å; L707-F711 HydrophobicContact CG-CE2 4.28Å; L707-F711 WeakPolarHBondContact O-CD2 3.28Å; L707-F711 PolarHBondContact O-N 3.26Å; L707-F711 VanDerWaalsContact O-N 3.15Å
708F97.8Very high97.2Very high0 Ų036.7 Ų36.70%017%0.166CC..Hα-helixtrans-56.4-55.4177.4172.6-100.9000112L561 L644 L649 F652 M666 K704 V705 R710 F711 Y712L561-F708 HydrophobicContact CD2-CE2 4.03Å; L561-F708 HydrophobicContact CD2-CZ 4.24Å; L561-F708 HydrophobicContact CG-CE2 4.21Å; L561-F708 HydrophobicContact CG-CZ 4.43Å; L644-F708 HydrophobicContact CD1-CB 3.96Å; L644-F708 HydrophobicContact CD1-CD2 4.26Å; L649-F708 HydrophobicContact CD2-CD2 4.17Å; L649-F708 HydrophobicContact CD2-CE2 4.43Å; F652-F708 HydrophobicContact CB-CD1 4.23Å; F652-F708 HydrophobicContact CB-CD2 3.92Å; F652-F708 HydrophobicContact CB-CE1 4.19Å; F652-F708 HydrophobicContact CB-CE2 3.86Å; F652-F708 HydrophobicContact CB-CG 4.1Å; F652-F708 HydrophobicContact CB-CZ 4Å; F652-F708 HydrophobicContact CD2-CB 3.79Å; F652-F708 AromaticContact CD2-CD2 3.93Å; F652-F708 HydrophobicContact CD2-CD2 3.93Å; F652-F708 AromaticContact CD2-CG 3.82Å; F652-F708 HydrophobicContact CD2-CG 3.82Å; F652-F708 HydrophobicContact CE2-CB 4.28Å; F652-F708 HydrophobicContact CG-CD2 4.45Å; F652-F708 HydrophobicContact CG-CG 4.39Å; M666-F708 HydrophobicContact CE-CD1 4.28Å; M666-F708 HydrophobicContact CE-CE1 3.9Å; M666-F708 HydrophobicContact SD-CD1 4.23Å; M666-F708 HydrophobicContact SD-CE1 4.44Å; K704-F708 WeakPolarHBondContact O-CB 3.24Å; K704-F708 PolarHBondContact O-N 3.3Å; V705-F708 PolarHBondContact O-N 3.07Å; F708-R710 PolarHBondContact O-N 3.21Å; F708-F711 PolarHBondContact O-N 2.98Å; F708-Y712 VanDerWaalsContact O-CB 3.23Å; F708-Y712 WeakPolarHBondContact O-CB 3.48Å; F708-Y712 PolarHBondContact O-N 3.29Å
709F98.1Very high97.1Very high8 Ų836.9 Ų36.94%0.03517%0.167CC..Hα-helixtrans-68.9-35.7-176.4-85.8-81.1000113.5G662 P663 M666 V705 F711 A713 W749 F753G662-F709 VanDerWaalsContact C-CZ 3.48Å; P663-F709 VanDerWaalsContact CA-CE2 3.43Å; P663-F709 HydrophobicContact CB-CD2 3.89Å; P663-F709 HydrophobicContact CB-CE2 4.06Å; P663-F709 HydrophobicContact CB-CG 4.18Å; P663-F709 HydrophobicContact CB-CZ 4.47Å; P663-F709 HydrophobicContact CG-CB 4.4Å; P663-F709 HydrophobicContact CG-CD1 3.74Å; P663-F709 HydrophobicContact CG-CD2 3.92Å; P663-F709 HydrophobicContact CG-CE1 3.89Å; P663-F709 HydrophobicContact CG-CE2 4.09Å; P663-F709 HydrophobicContact CG-CG 3.75Å; P663-F709 HydrophobicContact CG-CZ 4.07Å; M666-F709 HydrophobicContact CB-CE2 4.33Å; M666-F709 HydrophobicContact CE-CE2 3.61Å; M666-F709 HydrophobicContact CE-CZ 3.79Å; M666-F709 HydrophobicContact SD-CE2 3.69Å; M666-F709 HydrophobicContact SD-CZ 4.46Å; V705-F709 HydrophobicContact CG1-CD2 3.91Å; V705-F709 HydrophobicContact CG1-CE2 4.17Å; V705-F709 WeakPolarHBondContact O-CD2 3.41Å; V705-F709 PolarHBondContact O-N 3.38Å; F709-F711 PolarHBondContact O-N 3.06Å; F709-A713 VanDerWaalsContact O-CB 3.26Å; F709-A713 WeakPolarHBondContact O-CB 3.41Å; F709-A713 PolarHBondContact O-N 3.37Å; F709-W749 HydrophobicContact CD1-CH2 4.14Å; F709-W749 AromaticContact CD1-CZ2 3.94Å; F709-W749 HydrophobicContact CD1-CZ2 3.94Å; F709-W749 PolarHBondContact O-NE1 3Å; F709-F753 HydrophobicContact CB-CE1 4.17Å; F709-F753 HydrophobicContact CB-CZ 4.21Å
710R97.7Very high97Very high116 Ų11635.5 Ų35.544%0.43816%0.164SC..Hα-helixtrans-59.1-49175.4178.3171.9-173.9110.2-1.3110.8K706 F708 A713 I714K706-R710 WeakPolarHBondContact O-CB 3.24Å; K706-R710 PolarHBondContact O-N 2.92Å; F708-R710 PolarHBondContact O-N 3.21Å; R710-A713 PolarHBondContact O-N 2.83Å; R710-I714 HydrophobicContact CG-CD1 3.93Å; R710-I714 VanDerWaalsContact O-CG1 3.29Å; R710-I714 WeakPolarHBondContact O-CG1 3.49Å; R710-I714 PolarHBondContact O-N 3.34Å
711F97Very high96.8Very high65 Ų6535.7 Ų35.729%0.28517%0.167SC..Hα-helixtrans-78.1-33.9-177.2-85.8-69.1000114.1R562 L707 F708 F709 A713 I714 N715R562-F711 VanDerWaalsContact CZ-CD2 3.49Å; R562-F711 VanDerWaalsContact NH2-CE2 3.26Å; L707-F711 HydrophobicContact CD1-CD2 3.74Å; L707-F711 HydrophobicContact CD1-CE2 3.51Å; L707-F711 HydrophobicContact CG-CD2 4.09Å; L707-F711 HydrophobicContact CG-CE2 4.28Å; L707-F711 WeakPolarHBondContact O-CD2 3.28Å; L707-F711 PolarHBondContact O-N 3.26Å; L707-F711 VanDerWaalsContact O-N 3.15Å; F708-F711 PolarHBondContact O-N 2.98Å; F709-F711 PolarHBondContact O-N 3.06Å; F711-A713 VanDerWaalsContact C-N 3.28Å; F711-A713 PolarHBondContact O-N 2.74Å; F711-I714 PolarHBondContact O-N 2.99Å; F711-N715 WeakPolarHBondContact O-CB 2.96Å; F711-N715 PolarHBondContact O-N 3.03Å; F711-N715 PolarHBondContact O-ND2 3.18Å
712Y96.5Very high96.6Very high7 Ų737 Ų373%0.02718%0.175CC..Hα-helixtrans-53.5-49.4167171.1-95.8000110.2L561 R656 F708 N715 R716 R741 Y745L561-Y712 HydrophobicContact CD1-CD2 4.09Å; L561-Y712 HydrophobicContact CD1-CE2 4.16Å; R656-Y712 PolarHBondContact NH2-OH 2.59Å; F708-Y712 VanDerWaalsContact O-CB 3.23Å; F708-Y712 WeakPolarHBondContact O-CB 3.48Å; F708-Y712 PolarHBondContact O-N 3.29Å; Y712-N715 PolarHBondContact O-N 2.91Å; Y712-R716 WeakPolarHBondContact O-CB 3.41Å; Y712-R716 PolarHBondContact O-N 2.9Å; Y712-R741 WeakPolarHBondContact OH-CG 3.49Å; Y712-Y745 HydrophobicContact CE1-CE2 4.17Å
713A97Very high96.5Very high4 Ų437 Ų373%0.03318%0.175CC..Hα-helixtrans-61.7-48.9178.500000113.1F709 R710 F711 N715 Y745 W749F709-A713 VanDerWaalsContact O-CB 3.26Å; F709-A713 WeakPolarHBondContact O-CB 3.41Å; F709-A713 PolarHBondContact O-N 3.37Å; R710-A713 PolarHBondContact O-N 2.83Å; F711-A713 VanDerWaalsContact C-N 3.28Å; F711-A713 PolarHBondContact O-N 2.74Å; A713-N715 VanDerWaalsContact C-N 3.32Å; A713-N715 PolarHBondContact O-N 2.8Å; A713-Y745 HydrophobicContact CB-CD2 4.23Å; A713-Y745 HydrophobicContact CB-CG 4.1Å; A713-W749 HydrophobicContact CB-CZ2 4.04Å
714I97.1Very high96.4Very high68 Ų6833 Ų3335%0.34916%0.161SC..Hα-helixtrans-62.8-40.3-179-68.5166.9000111.1R710 F711 H717 S747R710-I714 HydrophobicContact CG-CD1 3.93Å; R710-I714 VanDerWaalsContact O-CG1 3.29Å; R710-I714 WeakPolarHBondContact O-CG1 3.49Å; R710-I714 PolarHBondContact O-N 3.34Å; F711-I714 PolarHBondContact O-N 2.99Å; I714-H717 PolarHBondContact O-CE1 3.43Å; I714-H717 PolarHBondContact O-ND1 3.11Å; I714-S747 VanDerWaalsContact CG1-CB 3.5Å
715N97.1Very high96.3Very high20 Ų2031.9 Ų31.911%0.10716%0.158CC..Hα-helixtrans-97.9-1.2-172.1-64.4-45.3000114.6R562 F711 Y712 A713 H717 K718R562-N715 PolarHBondContact NH1-ND2 3.38Å; R562-N715 PolarHBondContact O-ND2 3.09Å; R562-N715 VanDerWaalsContact O-ND2 3.14Å; F711-N715 WeakPolarHBondContact O-CB 2.96Å; F711-N715 PolarHBondContact O-N 3.03Å; F711-N715 PolarHBondContact O-ND2 3.18Å; Y712-N715 PolarHBondContact O-N 2.91Å; A713-N715 VanDerWaalsContact C-N 3.32Å; A713-N715 PolarHBondContact O-N 2.8Å; N715-H717 PolarHBondContact O-N 2.68Å; N715-H717 VanDerWaalsContact O-N 3.1Å; N715-K718 HydrophobicContact CB-CD 4.19Å; N715-K718 VanDerWaalsContact O-CB 3.26Å; N715-K718 WeakPolarHBondContact O-CB 2.94Å; N715-K718 WeakPolarHBondContact O-CG 3.49Å; N715-K718 PolarHBondContact O-N 3.22Å; N715-K718 VanDerWaalsContact OD1-CE 3.3Å; N715-K718 WeakPolarHBondContact OD1-CE 3.49Å; N715-K718 PolarHBondContact OD1-NZ 3.5Å
716R96.3Very high96.2Very high6 Ų631.9 Ų31.92%0.02316%0.158CC..Hα-helixtrans-57.4-32.7-175.7-176.555.3-178.5-169.50.2113.3Y712 K718 A719 A733 D735 D739 P742 Y745Y712-R716 WeakPolarHBondContact O-CB 3.41Å; Y712-R716 PolarHBondContact O-N 2.9Å; R716-K718 PolarHBondContact O-N 2.92Å; R716-A719 WeakPolarHBondContact O-CB 3.27Å; R716-A719 PolarHBondContact O-N 3.31Å; R716-A733 PolarHBondContact NH1-O 2.86Å; R716-D735 IonicContact CZ-OD1 2.73Å; R716-D735 IonicContact NE-OD1 2.68Å; R716-D735 PolarHBondContact NE-OD1 3.35Å; R716-D735 IonicContact NH2-OD1 3.75Å; R716-D735 PolarHBondContact NH2-OD1 3.37Å; R716-D739 IonicContact CZ-OD2 3.58Å; R716-D739 IonicContact NH1-OD2 3.25Å; R716-D739 PolarHBondContact NH1-OD2 3.2Å; R716-D739 PolarHBondContact NH2-O 3.23Å; R716-D739 IonicContact NH2-OD2 2.62Å; R716-P742 VanDerWaalsContact CG-O 3.27Å; R716-P742 WeakPolarHBondContact CG-O 3.29Å; R716-Y745 HydrophobicContact CB-CD2 4.41Å; R716-Y745 HydrophobicContact CB-CE2 4.05Å; R716-Y745 HydrophobicContact CG-CE2 4.04Å
717H96.5Very high96.2Very high61 Ų6130.2 Ų30.228%0.28215%0.151SC..Hα-helixtrans-58.3-12.9173.473.9-90.8000114.9K567 I714 N715 T720K567-H717 WeakPolarHBondContact CE-O 3.4Å; K567-H717 PolarHBondContact NZ-O 3.08Å; I714-H717 PolarHBondContact O-CE1 3.43Å; I714-H717 PolarHBondContact O-ND1 3.11Å; N715-H717 PolarHBondContact O-N 2.68Å; N715-H717 VanDerWaalsContact O-N 3.1Å; H717-T720 PolarHBondContact O-OG1 2.99Å; H717-T720 VanDerWaalsContact O-OG1 3.07Å
718K96.4Very high96Very high32 Ų3227.8 Ų27.814%0.13914%0.138CC..Hα-helixtrans-81.2-32.7173.1-59.5-176.4-172.7178.30111.6G563 L565 N715 R716 T720 I721G563-K718 PolarHBondContact O-NZ 3.1Å; L565-K718 HydrophobicContact CD1-CB 4.07Å; L565-K718 HydrophobicContact CD1-CD 3.86Å; L565-K718 HydrophobicContact CD1-CG 4.45Å; L565-K718 HydrophobicContact CG-CD 4.29Å; L565-K718 PolarHBondContact O-NZ 3.33Å; N715-K718 HydrophobicContact CB-CD 4.19Å; N715-K718 VanDerWaalsContact O-CB 3.26Å; N715-K718 WeakPolarHBondContact O-CB 2.94Å; N715-K718 WeakPolarHBondContact O-CG 3.49Å; N715-K718 PolarHBondContact O-N 3.22Å; N715-K718 VanDerWaalsContact OD1-CE 3.3Å; N715-K718 WeakPolarHBondContact OD1-CE 3.49Å; N715-K718 PolarHBondContact OD1-NZ 3.5Å; R716-K718 PolarHBondContact O-N 2.92Å; K718-T720 PolarHBondContact O-N 3.42Å; K718-I721 WeakPolarHBondContact O-CG1 3.31Å; K718-I721 PolarHBondContact O-N 3.33Å
719A94.2Very high95.8Very high3 Ų328.4 Ų28.43%0.02514%0.141CC..Hα-helixtrans-64.2-26.6178.600000112.6R716 I721 L722 D735R716-A719 WeakPolarHBondContact O-CB 3.27Å; R716-A719 PolarHBondContact O-N 3.31Å; A719-I721 PolarHBondContact O-N 3.23Å; A719-L722 PolarHBondContact O-N 3.14Å; A719-D735 HydrophobicContact CB-CB 4.25Å
720T94.2Very high95.6Very high45 Ų4529.2 Ų29.228%0.27615%0.149SC..THydrogen-bonded Turntrans-68.3-17.1-18075.90000113.5H717 K718 Y743H717-T720 PolarHBondContact O-OG1 2.99Å; H717-T720 VanDerWaalsContact O-OG1 3.07Å; K718-T720 PolarHBondContact O-N 3.42Å; T720-Y743 HydrophobicContact CG2-CG 4.43Å
721I92.9Very high95.4Very high40 Ų4023.7 Ų23.721%0.20513%0.128CC..THydrogen-bonded Turntrans-114.6-0-179.266.6129.6000112.7K567 Y568 K718 A719K567-I721 HydrophobicContact CD-CD1 4.36Å; K567-I721 HydrophobicContact CG-CD1 3.41Å; K567-I721 VanDerWaalsContact CG-CD1 3.41Å; K567-I721 HydrophobicContact CG-CG1 4Å; Y568-I721 HydrophobicContact CD1-CD1 3.67Å; Y568-I721 HydrophobicContact CE1-CB 4.22Å; Y568-I721 HydrophobicContact CE1-CD1 3.59Å; Y568-I721 HydrophobicContact CE1-CG1 4.41Å; Y568-I721 HydrophobicContact CE1-CG2 4.21Å; Y568-I721 HydrophobicContact CG-CD1 4.27Å; K718-I721 WeakPolarHBondContact O-CG1 3.31Å; K718-I721 PolarHBondContact O-N 3.33Å; A719-I721 PolarHBondContact O-N 3.23Å
722L93.7Very high95.2Very high29 Ų2920.8 Ų20.815%0.15212%0.116CC..  trans-65.7143.2178-76.8176.9000109.7L565 A719L565-L722 HydrophobicContact CD1-CD2 4.39Å; L565-L722 HydrophobicContact CD2-CD1 4.38Å; L565-L722 HydrophobicContact CD2-CD2 3.85Å; A719-L722 PolarHBondContact O-N 3.14Å
723P94.9Very high94.8Very high8 Ų820.8 Ų20.85%0.05212%0.118CC..  trans-65.3164.2-174.728.6-37.1000112.3R262 S571 A573 N576 A725R262-P723 PolarHBondContact NH1-O 3.48Å; S571-P723 WeakPolarHBondContact O-CD 3.24Å; S571-P723 WeakPolarHBondContact O-CG 3.35Å; A573-P723 VanDerWaalsContact O-CB 3.26Å; A573-P723 WeakPolarHBondContact O-CB 3.27Å; N576-P723 HydrophobicContact CB-CG 3.84Å; P723-A725 PolarHBondContact O-N 2.94Å; P723-A725 VanDerWaalsContact O-N 3.08Å
724P95.3Very high94.6Very high51 Ų5121.4 Ų21.433%0.33112%0.12SC..  trans-43.7112.6161.6-28.337000112.2R262 D574 L575 N576R262-P724 HydrophobicContact CG-CB 4.46Å; D574-P724 WeakPolarHBondContact O-CD 3.48Å; L575-P724 CarbonylContact C-O 3.58Å; L575-P724 HydrophobicContact CD2-CB 4.26Å; N576-P724 PolarHBondContact N-O 3.49Å
725A96Very high94.4Very high12 Ų1219.4 Ų19.410%0.09911%0.111CC..BIsolated β-bridgetrans-108.9141.1178.900000111.2R262 N576 P723 H727R262-A725 VanDerWaalsContact CB-O 3.27Å; R262-A725 WeakPolarHBondContact CB-O 3.18Å; R262-A725 WeakPolarHBondContact CG-O 3.42Å; N576-A725 HydrophobicContact CB-CB 4.18Å; N576-A725 CarbonylContact O-C 3.42Å; N576-A725 WeakPolarHBondContact O-CA 3.12Å; P723-A725 PolarHBondContact O-N 2.94Å; P723-A725 VanDerWaalsContact O-N 3.08Å; A725-H727 PolarHBondContact O-N 2.74Å
726Y96.8Very high94.1Very high0 Ų021.1 Ų21.10%012%0.119CC..  trans-56.7122.6167179-109.6000109.1H226 C264 G371 P372 W375 N576 S580 T728H226-Y726 AromaticContact ND1-CE1 3.83Å; H226-Y726 AromaticContact ND1-CZ 3.6Å; H226-Y726 PolarHBondContact ND1-OH 2.9Å; C264-Y726 HydrophobicContact CB-CD2 4.08Å; C264-Y726 HydrophobicContact CB-CE2 3.31Å; G371-Y726 VanDerWaalsContact C-CZ 3.41Å; G371-Y726 VanDerWaalsContact C-OH 3.31Å; G371-Y726 WeakPolarHBondContact CA-OH 3.37Å; P372-Y726 HydrophobicContact CB-CD1 4.07Å; P372-Y726 HydrophobicContact CB-CE1 4.28Å; P372-Y726 HydrophobicContact CB-CG 4.38Å; P372-Y726 VanDerWaalsContact CD-CE1 3.47Å; P372-Y726 HydrophobicContact CG-CD1 3.59Å; P372-Y726 HydrophobicContact CG-CE1 3.53Å; P372-Y726 HydrophobicContact CG-CG 4.38Å; W375-Y726 HydrophobicContact CB-CD2 3.4Å; W375-Y726 HydrophobicContact CB-CE2 3.6Å; W375-Y726 HydrophobicContact CB-CG 4.49Å; W375-Y726 AromaticContact CD1-CD2 3.9Å; W375-Y726 AromaticContact CD2-CD2 3.84Å; W375-Y726 HydrophobicContact CD2-CD2 3.84Å; W375-Y726 HydrophobicContact CD2-CG 4.45Å; W375-Y726 HydrophobicContact CE3-CD2 4.31Å; W375-Y726 AromaticContact CG-CD2 3.44Å; W375-Y726 HydrophobicContact CG-CD2 3.44Å; W375-Y726 VanDerWaalsContact CG-CD2 3.44Å; W375-Y726 HydrophobicContact CG-CE2 4.06Å; W375-Y726 HydrophobicContact CG-CG 4.44Å; N576-Y726 PolarHBondContact O-N 2.99Å; S580-Y726 WeakPolarHBondContact CB-O 3.32Å; Y726-T728 HydrophobicContact CD1-CG2 3.34Å; Y726-T728 HydrophobicContact CE1-CG2 3.02Å
727H96.5Very high93.8Very high7 Ų725.3 Ų25.33%0.03214%0.135CC..  trans-83.2133.2-179.7-173.678.1000111.6L136 H225 R262 A725 F738L136-H727 HydrophobicContact CD1-CB 3.88Å; H225-H727 AromaticContact CD2-CD2 3.7Å; H225-H727 AromaticContact NE2-CD2 3.74Å; H225-H727 AromaticContact NE2-NE2 3.91Å; R262-H727 PolarHBondContact O-N 2.66Å; R262-H727 VanDerWaalsContact O-N 3.13Å; A725-H727 PolarHBondContact O-N 2.74Å; H727-F738 AromaticContact CE1-CD1 3.97Å; H727-F738 AromaticContact CE1-CD2 3.35Å; H727-F738 WeakPolarHBondContact CE1-CD2 3.47Å; H727-F738 AromaticContact CE1-CE2 3.49Å; H727-F738 VanDerWaalsContact CE1-CE2 3.49Å; H727-F738 WeakPolarHBondContact CE1-CE2 3.12Å; H727-F738 AromaticContact CE1-CG 3.6Å; H727-F738 AromaticContact CE1-CZ 3.86Å; H727-F738 AromaticContact NE2-CD2 3.91Å; H727-F738 AromaticContact NE2-CE2 3.76Å
728T93.9Very high93.7Very high1 Ų123.2 Ų23.21%0.00613%0.125CC..  trans-144-60.5178.744.40000112.9E227 L228 S580 I581 Y726E227-T728 CarbonylContact C-O 3.54Å; E227-T728 VanDerWaalsContact CA-O 3.23Å; E227-T728 WeakPolarHBondContact CA-O 3.36Å; E227-T728 VanDerWaalsContact CG-O 3.23Å; E227-T728 WeakPolarHBondContact CG-O 3.16Å; L228-T728 PolarHBondContact N-O 3.48Å; S580-T728 VanDerWaalsContact C-OG1 3.25Å; S580-T728 WeakPolarHBondContact CB-OG1 3.21Å; S580-T728 PolarHBondContact O-OG1 3.42Å; S580-T728 PolarHBondContact OG-N 3.26Å; I581-T728 HydrophobicContact CG1-CG2 4.36Å; Y726-T728 HydrophobicContact CD1-CG2 3.34Å; Y726-T728 HydrophobicContact CE1-CG2 3.02Å
729E93.9Very high93.6Very high13 Ų1321.7 Ų21.76%0.06112%0.119CC..  trans-80132.8-173.9-72.8-71.7-178.600111.7L228 R229 L557 S580 D585 Y731 S732L228-E729 WeakPolarHBondContact CD2-OE1 3.15Å; R229-E729 IonicContact CZ-OE1 2.63Å; R229-E729 IonicContact NH1-OE1 3.16Å; R229-E729 PolarHBondContact NH1-OE1 3.43Å; R229-E729 IonicContact NH1-OE2 3.9Å; R229-E729 IonicContact NH2-OE1 3.94Å; L557-E729 HydrophobicContact CD1-CB 3.6Å; L557-E729 HydrophobicContact CD1-CG 4.04Å; S580-E729 WeakPolarHBondContact O-CB 3.41Å; S580-E729 WeakPolarHBondContact O-CG 3.26Å; S580-E729 PolarHBondContact O-N 2.95Å; S580-E729 PolarHBondContact OG-N 3.2Å; D585-E729 VanDerWaalsContact OD2-OE1 3.11Å; E729-Y731 HydrophobicContact CB-CD1 3.83Å; E729-Y731 HydrophobicContact CB-CE1 3.75Å; E729-Y731 HydrophobicContact CG-CD1 4.39Å; E729-Y731 HydrophobicContact CG-CE1 3.81Å; E729-Y731 PolarHBondContact O-N 3.48Å; E729-Y731 VanDerWaalsContact OE2-CE1 3.3Å; E729-Y731 WeakPolarHBondContact OE2-CE1 3.43Å; E729-S732 WeakPolarHBondContact O-CB 3.36Å; E729-S732 PolarHBondContact O-N 3.38Å
730A92.7Very high93.5Very high25 Ų2526.7 Ų26.721%0.20714%0.14CC..THydrogen-bonded Turntrans-65-0.5176.300000114.1E227 I658 F738E227-A730 HydrophobicContact CG-CB 4.41Å; I658-A730 HydrophobicContact CD1-CB 4.29Å; I658-A730 HydrophobicContact CG1-CB 4.42Å; A730-F738 WeakPolarHBondContact O-CE1 3.48Å; A730-F738 VanDerWaalsContact O-CZ 3.26Å; A730-F738 WeakPolarHBondContact O-CZ 3.34Å
731Y94.7Very high93.6Very high0 Ų029.2 Ų29.20%015%0.145CC..THydrogen-bonded Turntrans-118.818.9175.372.2-77.9000114.3L557 S582 S650 R654 I658 E729L557-Y731 HydrophobicContact CD1-CD2 4.31Å; L557-Y731 HydrophobicContact CD1-CE1 4.48Å; L557-Y731 HydrophobicContact CD1-CE2 4.1Å; L557-Y731 HydrophobicContact CD2-CD2 3.71Å; L557-Y731 HydrophobicContact CD2-CE2 3.18Å; L557-Y731 HydrophobicContact CG-CE2 4.32Å; S582-Y731 WeakPolarHBondContact CB-OH 3.41Å; S650-Y731 PolarHBondContact OG-OH 2.73Å; R654-Y731 HydrophobicContact CG-CD1 3.76Å; R654-Y731 HydrophobicContact CG-CD2 4.37Å; R654-Y731 HydrophobicContact CG-CE1 3.99Å; R654-Y731 HydrophobicContact CG-CG 3.97Å; I658-Y731 HydrophobicContact CD1-CD1 4.47Å; E729-Y731 HydrophobicContact CB-CD1 3.83Å; E729-Y731 HydrophobicContact CB-CE1 3.75Å; E729-Y731 HydrophobicContact CG-CD1 4.39Å; E729-Y731 HydrophobicContact CG-CE1 3.81Å; E729-Y731 PolarHBondContact O-N 3.48Å; E729-Y731 VanDerWaalsContact OE2-CE1 3.3Å; E729-Y731 WeakPolarHBondContact OE2-CE1 3.43Å
732S92Very high93.8Very high4 Ų431 Ų313%0.02816%0.159CC..  trans-48.7144.1175.2-170.90000113.2S580 E729 D734 F738S580-S732 WeakPolarHBondContact OG-CB 3.48Å; S580-S732 PolarHBondContact OG-OG 2.91Å; E729-S732 WeakPolarHBondContact O-CB 3.36Å; E729-S732 PolarHBondContact O-N 3.38Å; S732-D734 VanDerWaalsContact C-N 3.35Å; S732-D734 PolarHBondContact OG-N 2.99Å; S732-F738 WeakPolarHBondContact O-CD1 3.46Å
733A88.8Confident93.9Very high8 Ų836.6 Ų36.67%0.06618%0.179CC..  trans-92.58.2178.500000113.4L561 R716 D735L561-A733 HydrophobicContact CB-CB 4.14Å; L561-A733 HydrophobicContact CD1-CB 4.06Å; R716-A733 PolarHBondContact NH1-O 2.86Å; A733-D735 PolarHBondContact O-N 3.48Å; A733-D735 VanDerWaalsContact O-N 3.12Å
734D93.2Very high94Very high16 Ų1643.3 Ų43.39%0.08621%0.214CC..  trans-57.2111.4-177.9177.3-106.4000112.7R262 S732 N736 R737 F738 D739R262-D734 IonicContact CZ-OD2 3.96Å; R262-D734 IonicContact NE-OD1 3Å; R262-D734 IonicContact NE-OD2 2.76Å; R262-D734 PolarHBondContact NE-OD2 3.16Å; R262-D734 IonicContact NH1-OD2 3.43Å; R262-D734 PolarHBondContact NH1-OD2 2.94Å; R262-D734 IonicContact NH2-OD2 3.21Å; S732-D734 VanDerWaalsContact C-N 3.35Å; S732-D734 PolarHBondContact OG-N 2.99Å; D734-N736 VanDerWaalsContact C-N 3.32Å; D734-N736 PolarHBondContact OD1-N 2.93Å; D734-R737 PolarHBondContact OD1-N 3.09Å; D734-F738 HydrophobicContact CB-CB 4.22Å; D734-F738 PolarHBondContact O-N 3.26Å; D734-F738 PolarHBondContact OD1-N 2.88Å; D734-D739 PolarHBondContact O-N 3.39Å
735D93.5Very high94.1Very high27 Ų2743 Ų4314%0.14421%0.206CC..THydrogen-bonded Turntrans-77.1-19.8-177.5-162.772.5000112.8R716 A719 A733 F740R716-D735 IonicContact CZ-OD1 2.73Å; R716-D735 IonicContact NE-OD1 2.68Å; R716-D735 PolarHBondContact NE-OD1 3.35Å; R716-D735 IonicContact NH2-OD1 3.75Å; R716-D735 PolarHBondContact NH2-OD1 3.37Å; A719-D735 HydrophobicContact CB-CB 4.25Å; A733-D735 PolarHBondContact O-N 3.48Å; A733-D735 VanDerWaalsContact O-N 3.12Å; D735-F740 VanDerWaalsContact O-CD1 3.24Å; D735-F740 WeakPolarHBondContact O-CD1 3.29Å; D735-F740 WeakPolarHBondContact O-CE1 3.16Å
736N89.6Confident94.1Very high55 Ų5546.5 Ų46.529%0.29423%0.228SC..THydrogen-bonded Turntrans-81.5-30.9-171.2-73.3-79.5000113.9R262 D734 F740R262-N736 PolarHBondContact NH2-ND2 3.01Å; D734-N736 VanDerWaalsContact C-N 3.32Å; D734-N736 PolarHBondContact OD1-N 2.93Å; N736-F740 WeakPolarHBondContact O-CE1 3.31Å
737R90.7Very high93.9Very high94 Ų9448.6 Ų48.636%0.35524%0.243SC..THydrogen-bonded Turntrans-138.5-32.3-176.6-66.4-64.6-178.5-92.28.2114.7E64 L136 R138 D734E64-R737 IonicContact OE1-CZ 3.26Å; E64-R737 IonicContact OE1-NE 2.64Å; E64-R737 PolarHBondContact OE1-NE 2.82Å; E64-R737 IonicContact OE1-NH2 3.38Å; E64-R737 PolarHBondContact OE1-NH2 3.16Å; E64-R737 IonicContact OE2-CZ 2.8Å; E64-R737 IonicContact OE2-NE 3.03Å; E64-R737 IonicContact OE2-NH2 2.74Å; E64-R737 PolarHBondContact OE2-NH2 2.92Å; L136-R737 HydrophobicContact CD2-CB 3.81Å; R138-R737 PolarHBondContact NH2-O 2.96Å; D734-R737 PolarHBondContact OD1-N 3.09Å
738F94.4Very high93.8Very high17 Ų1751.9 Ų51.98%0.07526%0.261CS..THydrogen-bonded Turntrans-104.3-40.2-168.6-173.6-108.6000115.5L136 K657 H727 A730 S732 D734L136-F738 HydrophobicContact CD2-CB 3.84Å; L136-F738 HydrophobicContact CD2-CD2 4.08Å; L136-F738 HydrophobicContact CD2-CG 4.42Å; L136-F738 HydrophobicContact CG-CD2 4.01Å; K657-F738 HydrophobicContact CD-CE1 4.44Å; K657-F738 HydrophobicContact CG-CE1 4.22Å; K657-F738 PolarHBondContact NZ-O 3.29Å; H727-F738 AromaticContact CE1-CD1 3.97Å; H727-F738 AromaticContact CE1-CD2 3.35Å; H727-F738 WeakPolarHBondContact CE1-CD2 3.47Å; H727-F738 AromaticContact CE1-CE2 3.49Å; H727-F738 VanDerWaalsContact CE1-CE2 3.49Å; H727-F738 WeakPolarHBondContact CE1-CE2 3.12Å; H727-F738 AromaticContact CE1-CG 3.6Å; H727-F738 AromaticContact CE1-CZ 3.86Å; H727-F738 AromaticContact NE2-CD2 3.91Å; H727-F738 AromaticContact NE2-CE2 3.76Å; A730-F738 WeakPolarHBondContact O-CE1 3.48Å; A730-F738 VanDerWaalsContact O-CZ 3.26Å; A730-F738 WeakPolarHBondContact O-CZ 3.34Å; S732-F738 WeakPolarHBondContact O-CD1 3.46Å; D734-F738 HydrophobicContact CB-CB 4.22Å; D734-F738 PolarHBondContact O-N 3.26Å; D734-F738 PolarHBondContact OD1-N 2.88Å
739D94.7Very high94Very high1 Ų153 Ų531%0.00527%0.265CS..  trans-126.170.4-169-173.237000111.7R656 K657 R716 D734 R741R656-D739 IonicContact CZ-OD2 3.51Å; R656-D739 VanDerWaalsContact CZ-OD2 3.26Å; R656-D739 IonicContact NH1-OD1 3.95Å; R656-D739 IonicContact NH1-OD2 3.28Å; R656-D739 PolarHBondContact NH1-OD2 3.03Å; R656-D739 IonicContact NH2-OD1 3.84Å; R656-D739 PolarHBondContact NH2-OD1 2.86Å; R656-D739 IonicContact NH2-OD2 3.44Å; R656-D739 PolarHBondContact NH2-OD2 2.95Å; K657-D739 IonicContact NZ-OD1 3.28Å; K657-D739 PolarHBondContact NZ-OD1 2.87Å; R716-D739 IonicContact CZ-OD2 3.58Å; R716-D739 IonicContact NH1-OD2 3.25Å; R716-D739 PolarHBondContact NH1-OD2 3.2Å; R716-D739 PolarHBondContact NH2-O 3.23Å; R716-D739 IonicContact NH2-OD2 2.62Å; D734-D739 PolarHBondContact O-N 3.39Å; D739-R741 PolarHBondContact O-N 3.34Å; D739-R741 IonicContact OD1-NE 3.3Å; D739-R741 PolarHBondContact OD1-NE 2.92Å
740F92.2Very high94.1Very high108 Ų10857.4 Ų57.447%0.47429%0.289SS..  trans-67.2117179.2-67.4-12.2000112.4R138 D735 N736R138-F740 VanDerWaalsContact CZ-CD2 3.41Å; R138-F740 VanDerWaalsContact NH1-CD2 3.28Å; D735-F740 VanDerWaalsContact O-CD1 3.24Å; D735-F740 WeakPolarHBondContact O-CD1 3.29Å; D735-F740 WeakPolarHBondContact O-CE1 3.16Å; N736-F740 WeakPolarHBondContact O-CE1 3.31Å
741R95.1Very high94.4Very high97 Ų9765.7 Ų65.737%0.36632%0.315SS..  trans-146.7153.8-174-66.4-68.3-173.8163.81.4109.9Y712 D739 Y745Y712-R741 WeakPolarHBondContact OH-CG 3.49Å; D739-R741 PolarHBondContact O-N 3.34Å; D739-R741 IonicContact OD1-NE 3.3Å; D739-R741 PolarHBondContact OD1-NE 2.92Å; R741-Y745 WeakPolarHBondContact CB-OH 3.45Å
742P96.6Very high94.6Very high77 Ų7768.9 Ų68.950%0.533%0.329SS..  trans-53.2152.2164.6-2430.3000111.1R716 Y745R716-P742 VanDerWaalsContact CG-O 3.27Å; R716-P742 WeakPolarHBondContact CG-O 3.29Å; P742-Y745 HydrophobicContact CB-CE1 3.96Å; P742-Y745 HydrophobicContact CB-CE2 4.07Å; P742-Y745 VanDerWaalsContact CD-OH 3.27Å; P742-Y745 WeakPolarHBondContact CD-OH 3.25Å; P742-Y745 HydrophobicContact CG-CE1 4.07Å; P742-Y745 WeakPolarHBondContact O-CE2 3.43Å; P742-Y745 VanDerWaalsContact O-CZ 3.25Å; P742-Y745 PolarHBondContact O-OH 3.48Å; P742-Y745 VanDerWaalsContact O-OH 3.08Å
743Y95.9Very high94.9Very high148 Ų14869.7 Ų69.758%0.5833%0.333SS*.SBendtrans-109.8-10.1168.564.3-98.9000112.7T720T720-Y743 HydrophobicContact CG2-CG 4.43Å
744L97.2Very high95.3Very high149 Ų14972.8 Ų72.878%0.7835%0.351SS*.  trans-111.4104.7175.4-18063.7000108.7
745Y97.1Very high95.6Very high43 Ų4373.6 Ų73.617%0.16936%0.357CS..  trans-117.7152.6-180-70.6-86.2000111.7Y712 A713 R716 R741 P742 S747 W749Y712-Y745 HydrophobicContact CE1-CE2 4.17Å; A713-Y745 HydrophobicContact CB-CD2 4.23Å; A713-Y745 HydrophobicContact CB-CG 4.1Å; R716-Y745 HydrophobicContact CB-CD2 4.41Å; R716-Y745 HydrophobicContact CB-CE2 4.05Å; R716-Y745 HydrophobicContact CG-CE2 4.04Å; R741-Y745 WeakPolarHBondContact CB-OH 3.45Å; P742-Y745 HydrophobicContact CB-CE1 3.96Å; P742-Y745 HydrophobicContact CB-CE2 4.07Å; P742-Y745 VanDerWaalsContact CD-OH 3.27Å; P742-Y745 WeakPolarHBondContact CD-OH 3.25Å; P742-Y745 HydrophobicContact CG-CE1 4.07Å; P742-Y745 WeakPolarHBondContact O-CE2 3.43Å; P742-Y745 VanDerWaalsContact O-CZ 3.25Å; P742-Y745 PolarHBondContact O-OH 3.48Å; P742-Y745 VanDerWaalsContact O-OH 3.08Å; Y745-S747 PolarHBondContact O-N 3.49Å; Y745-W749 HydrophobicContact CD1-CH2 4.03Å; Y745-W749 HydrophobicContact CD1-CZ2 4.05Å; Y745-W749 HydrophobicContact CE1-CH2 4.15Å; Y745-W749 HydrophobicContact CE1-CZ2 4.43Å
746P96.4Very high95.8Very high87 Ų8772.3 Ų72.357%0.56535%0.35SS*.  trans-65.9109154.729.9-31.3000108.5D748 W749P746-D748 VanDerWaalsContact C-N 3.27Å; P746-D748 PolarHBondContact O-N 3Å; P746-W749 PolarHBondContact O-N 3.41Å
747S93.2Very high96.2Very high43 Ų4372.5 Ų72.530%0.30135%0.351SS..THydrogen-bonded Turntrans-77.8-11.4-173.456.60000114.3I714 Y745I714-S747 VanDerWaalsContact CG1-CB 3.5Å; Y745-S747 PolarHBondContact O-N 3.49Å
748D95.3Very high96.5Very high77 Ų7772.8 Ų72.841%0.41236%0.36SS..THydrogen-bonded Turntrans-82.5-18.117564-14.1000113P746 N750 F753P746-D748 VanDerWaalsContact C-N 3.27Å; P746-D748 PolarHBondContact O-N 3Å; D748-N750 PolarHBondContact O-N 3.16Å; D748-N750 VanDerWaalsContact O-N 3.08Å; D748-F753 WeakPolarHBondContact O-CD2 3.05Å; D748-F753 WeakPolarHBondContact O-CE2 3.25Å
749W97Very high96.6Very high25 Ų2573 Ų7310%0.09536%0.361CS..  trans46.139.7-179.6-64.589.4000112.4P663 F709 A713 Y745 P746 W751 Q752 F753P663-W749 HydrophobicContact CG-CD2 4.35Å; P663-W749 HydrophobicContact CG-CE3 3.83Å; P663-W749 HydrophobicContact CG-CZ3 4.05Å; F709-W749 HydrophobicContact CD1-CH2 4.14Å; F709-W749 AromaticContact CD1-CZ2 3.94Å; F709-W749 HydrophobicContact CD1-CZ2 3.94Å; F709-W749 PolarHBondContact O-NE1 3Å; A713-W749 HydrophobicContact CB-CZ2 4.04Å; Y745-W749 HydrophobicContact CD1-CH2 4.03Å; Y745-W749 HydrophobicContact CD1-CZ2 4.05Å; Y745-W749 HydrophobicContact CE1-CH2 4.15Å; Y745-W749 HydrophobicContact CE1-CZ2 4.43Å; P746-W749 PolarHBondContact O-N 3.41Å; W749-W751 PolarHBondContact O-N 3.47Å; W749-W751 VanDerWaalsContact O-N 3.15Å; W749-Q752 HydrophobicContact CB-CB 4.4Å; W749-Q752 HydrophobicContact CE3-CG 4.15Å; W749-Q752 PolarHBondContact O-N 2.95Å; W749-Q752 PolarHBondContact O-OE1 2.95Å; W749-F753 HydrophobicContact CB-CD1 3.57Å; W749-F753 HydrophobicContact CB-CD2 4.07Å; W749-F753 HydrophobicContact CB-CE1 3.47Å; W749-F753 VanDerWaalsContact CB-CE1 3.47Å; W749-F753 HydrophobicContact CB-CE2 3.98Å; W749-F753 HydrophobicContact CB-CG 3.87Å; W749-F753 HydrophobicContact CB-CZ 3.68Å; W749-F753 AromaticContact CD1-CZ 3.71Å; W749-F753 HydrophobicContact CG-CD1 4.43Å; W749-F753 AromaticContact CG-CE1 3.87Å; W749-F753 HydrophobicContact CG-CE1 3.87Å; W749-F753 HydrophobicContact CG-CE2 4.49Å; W749-F753 AromaticContact CG-CZ 3.89Å; W749-F753 HydrophobicContact CG-CZ 3.89Å; W749-F753 WeakPolarHBondContact O-CB 3.48Å; W749-F753 PolarHBondContact O-N 2.93Å
750N96.7Very high96.7Very high105 Ų10573 Ų7356%0.56136%0.362SS*.Hα-helixtrans-48-52.4-161.9-175.3-6.5000113.4D748 T754D748-N750 PolarHBondContact O-N 3.16Å; D748-N750 VanDerWaalsContact O-N 3.08Å; N750-T754 WeakPolarHBondContact O-CB 3.48Å; N750-T754 PolarHBondContact O-N 3.04Å; N750-T754 PolarHBondContact O-OG1 3.4Å
751W98.2Very high96.9Very high199 Ų19973.3 Ų73.375%0.75436%0.364SS*.Hα-helixtrans-62.1-51.3179-178.6-86.6000112.2W749 F753 T754 C755W749-W751 PolarHBondContact O-N 3.47Å; W749-W751 VanDerWaalsContact O-N 3.15Å; W751-F753 VanDerWaalsContact C-N 3.33Å; W751-F753 PolarHBondContact O-N 2.96Å; W751-T754 PolarHBondContact O-N 2.83Å; W751-C755 PolarHBondContact O-N 3.34Å; W751-C755 VanDerWaalsContact O-N 3.09Å; W751-C755 PolarHBondContact O-SG 2.71Å
752Q98.4Very high96.8Very high66 Ų6675 Ų7531%0.30837%0.374SS..Hα-helixtrans-62.3-42.9-176.7-62.484.1-1300110.7P663 W749 C755 L756P663-Q752 HydrophobicContact CB-CB 4.13Å; P663-Q752 HydrophobicContact CG-CB 4.04Å; P663-Q752 HydrophobicContact CG-CG 4.24Å; W749-Q752 HydrophobicContact CB-CB 4.4Å; W749-Q752 HydrophobicContact CE3-CG 4.15Å; W749-Q752 PolarHBondContact O-N 2.95Å; W749-Q752 PolarHBondContact O-OE1 2.95Å; Q752-C755 WeakPolarHBondContact O-CB 3.32Å; Q752-C755 PolarHBondContact O-N 2.79Å; Q752-L756 WeakPolarHBondContact O-CG 3.47Å; Q752-L756 PolarHBondContact O-N 2.84Å
753F98.3Very high96.6Very high22 Ų2274 Ų7410%0.09636%0.36CS..Hα-helixtrans-69.8-33.9-179.1-76.58000112.8P663 K706 F709 D748 W749 W751 C755 L756 D757P663-F753 HydrophobicContact CB-CE1 4.41Å; K706-F753 HydrophobicContact CB-CD2 4.36Å; K706-F753 HydrophobicContact CB-CE1 4.28Å; K706-F753 HydrophobicContact CB-CE2 3.96Å; K706-F753 HydrophobicContact CB-CZ 3.93Å; K706-F753 HydrophobicContact CD-CD2 4.18Å; K706-F753 HydrophobicContact CD-CG 4.22Å; K706-F753 HydrophobicContact CG-CD1 3.88Å; K706-F753 HydrophobicContact CG-CD2 3.93Å; K706-F753 HydrophobicContact CG-CE1 3.95Å; K706-F753 HydrophobicContact CG-CE2 3.99Å; K706-F753 HydrophobicContact CG-CG 3.88Å; K706-F753 HydrophobicContact CG-CZ 4.01Å; K706-F753 WeakPolarHBondContact O-CZ 2.85Å; F709-F753 HydrophobicContact CB-CE1 4.17Å; F709-F753 HydrophobicContact CB-CZ 4.21Å; D748-F753 WeakPolarHBondContact O-CD2 3.05Å; D748-F753 WeakPolarHBondContact O-CE2 3.25Å; W749-F753 HydrophobicContact CB-CD1 3.57Å; W749-F753 HydrophobicContact CB-CD2 4.07Å; W749-F753 HydrophobicContact CB-CE1 3.47Å; W749-F753 VanDerWaalsContact CB-CE1 3.47Å; W749-F753 HydrophobicContact CB-CE2 3.98Å; W749-F753 HydrophobicContact CB-CG 3.87Å; W749-F753 HydrophobicContact CB-CZ 3.68Å; W749-F753 AromaticContact CD1-CZ 3.71Å; W749-F753 HydrophobicContact CG-CD1 4.43Å; W749-F753 AromaticContact CG-CE1 3.87Å; W749-F753 HydrophobicContact CG-CE1 3.87Å; W749-F753 HydrophobicContact CG-CE2 4.49Å; W749-F753 AromaticContact CG-CZ 3.89Å; W749-F753 HydrophobicContact CG-CZ 3.89Å; W749-F753 WeakPolarHBondContact O-CB 3.48Å; W749-F753 PolarHBondContact O-N 2.93Å; W751-F753 VanDerWaalsContact C-N 3.33Å; W751-F753 PolarHBondContact O-N 2.96Å; F753-C755 VanDerWaalsContact C-N 3.32Å; F753-L756 HydrophobicContact CD1-CD1 3.79Å; F753-L756 HydrophobicContact CE1-CD1 4.28Å; F753-L756 WeakPolarHBondContact O-CB 3.4Å; F753-L756 PolarHBondContact O-N 3.24Å; F753-D757 PolarHBondContact O-N 3.08Å
754T98.3Very high96.4Very high72 Ų7268 Ų6844%0.44234%0.34SS..Hα-helixtrans-62.4-42.3170-57.40000110.8N750 W751 L756 D757 L758N750-T754 WeakPolarHBondContact O-CB 3.48Å; N750-T754 PolarHBondContact O-N 3.04Å; N750-T754 PolarHBondContact O-OG1 3.4Å; W751-T754 PolarHBondContact O-N 2.83Å; T754-L756 VanDerWaalsContact C-N 3.29Å; T754-L756 PolarHBondContact O-N 3.03Å; T754-D757 PolarHBondContact O-N 2.99Å; T754-L758 PolarHBondContact O-N 3.07Å
755C98.3Very high96.1Very high33 Ų3366.9 Ų66.922%0.22333%0.33CS..Hα-helixtrans-64.9-32.6176.3-61.50000112.6Y664 W751 Q752 F753 L759Y664-C755 HydrophobicContact CD2-CB 3.78Å; Y664-C755 HydrophobicContact CE2-CB 4.24Å; W751-C755 PolarHBondContact O-N 3.34Å; W751-C755 VanDerWaalsContact O-N 3.09Å; W751-C755 PolarHBondContact O-SG 2.71Å; Q752-C755 WeakPolarHBondContact O-CB 3.32Å; Q752-C755 PolarHBondContact O-N 2.79Å; F753-C755 VanDerWaalsContact C-N 3.32Å; C755-L759 PolarHBondContact O-N 2.92Å; C755-L759 VanDerWaalsContact O-N 3.09Å
756L98.1Very high95.6Very high0 Ų071 Ų710%035%0.351CS..Hα-helixtrans-63.6-43.3173.8-62.1-178.9000111.8P663 Y664 L667 N702 V705 K706 Q752 F753 T754 L758 L759 V760P663-L756 HydrophobicContact CB-CD1 4.41Å; P663-L756 WeakPolarHBondContact O-CD2 3.39Å; Y664-L756 HydrophobicContact CD2-CD2 4.45Å; L667-L756 HydrophobicContact CB-CD2 3.72Å; L667-L756 HydrophobicContact CD2-CB 4.02Å; L667-L756 HydrophobicContact CD2-CD2 3.71Å; L667-L756 HydrophobicContact CD2-CG 4.38Å; L667-L756 HydrophobicContact CG-CD2 4.37Å; N702-L756 VanDerWaalsContact OD1-CB 3.24Å; N702-L756 WeakPolarHBondContact OD1-CB 3.23Å; V705-L756 HydrophobicContact CG1-CD1 4.06Å; K706-L756 HydrophobicContact CG-CD1 3.73Å; Q752-L756 WeakPolarHBondContact O-CG 3.47Å; Q752-L756 PolarHBondContact O-N 2.84Å; F753-L756 HydrophobicContact CD1-CD1 3.79Å; F753-L756 HydrophobicContact CE1-CD1 4.28Å; F753-L756 WeakPolarHBondContact O-CB 3.4Å; F753-L756 PolarHBondContact O-N 3.24Å; T754-L756 VanDerWaalsContact C-N 3.29Å; T754-L756 PolarHBondContact O-N 3.03Å; L756-L758 PolarHBondContact O-N 3.5Å; L756-L759 WeakPolarHBondContact O-CB 3.35Å; L756-L759 PolarHBondContact O-N 2.85Å; L756-V760 WeakPolarHBondContact O-CG2 3.39Å; L756-V760 PolarHBondContact O-N 2.99Å
757D97.9Very high94.9Very high60 Ų6070.8 Ų70.832%0.32134%0.341SS..Hα-helixtrans-64-42.8-178.9-65.3-34000111.2N702 K706 F753 T754 L759 V760 E761N702-D757 PolarHBondContact ND2-OD1 3.02Å; K706-D757 IonicContact NZ-OD1 2.78Å; K706-D757 PolarHBondContact NZ-OD1 3.21Å; K706-D757 IonicContact NZ-OD2 3.55Å; K706-D757 PolarHBondContact NZ-OD2 3Å; F753-D757 PolarHBondContact O-N 3.08Å; T754-D757 PolarHBondContact O-N 2.99Å; D757-L759 VanDerWaalsContact C-N 3.3Å; D757-L759 PolarHBondContact O-N 3.49Å; D757-V760 PolarHBondContact O-N 2.97Å; D757-E761 WeakPolarHBondContact O-CG 3.32Å; D757-E761 PolarHBondContact O-N 3.11Å
758L97.4Very high94.1Very high100 Ų10079 Ų7952%0.52437%0.372SS..Hα-helixtrans-61.5-36.8173.6-65.7173.6000112.7T754 L756 E761 K762T754-L758 PolarHBondContact O-N 3.07Å; L756-L758 PolarHBondContact O-N 3.5Å; L758-E761 PolarHBondContact O-N 3.36Å; L758-K762 PolarHBondContact O-N 3.39Å
759L96.3Very high94.1Very high21 Ų2179.2 Ų79.211%0.1137%0.37CS..Hα-helixtrans-65.7-40.9175.8-179.162.5000111.5Y664 L667 E668 L671 C755 L756 D757 K762 W763Y664-L759 HydrophobicContact CD2-CD2 4.47Å; Y664-L759 HydrophobicContact CE2-CB 4.06Å; Y664-L759 HydrophobicContact CE2-CD2 4.01Å; Y664-L759 HydrophobicContact CE2-CG 4.46Å; L667-L759 HydrophobicContact CB-CD2 4.27Å; L667-L759 HydrophobicContact CD2-CD2 4.05Å; L667-L759 HydrophobicContact CG-CD2 4.02Å; E668-L759 HydrophobicContact CB-CD2 4.48Å; E668-L759 HydrophobicContact CG-CD1 4.34Å; E668-L759 HydrophobicContact CG-CD2 3.47Å; E668-L759 VanDerWaalsContact CG-CD2 3.47Å; L671-L759 HydrophobicContact CD1-CD2 4.31Å; L671-L759 HydrophobicContact CD1-CG 4.3Å; C755-L759 PolarHBondContact O-N 2.92Å; C755-L759 VanDerWaalsContact O-N 3.09Å; L756-L759 WeakPolarHBondContact O-CB 3.35Å; L756-L759 PolarHBondContact O-N 2.85Å; D757-L759 VanDerWaalsContact C-N 3.3Å; D757-L759 PolarHBondContact O-N 3.49Å; L759-K762 PolarHBondContact O-N 2.96Å; L759-W763 PolarHBondContact O-N 3.46Å
760V96.7Very high93.9Very high2 Ų282 Ų821%0.01238%0.384CS..Hα-helixtrans-65-44.6175.4174.70000111.1L667 A698 H699 N702 L756 D757 K762 W763 V764L667-V760 HydrophobicContact CD2-CG2 3.97Å; A698-V760 HydrophobicContact CB-CB 4.5Å; A698-V760 HydrophobicContact CB-CG1 3.94Å; A698-V760 HydrophobicContact CB-CG2 4.27Å; H699-V760 WeakPolarHBondContact CE1-CG1 3.35Å; H699-V760 WeakPolarHBondContact ND1-CG1 3.47Å; N702-V760 HydrophobicContact CB-CG2 3.52Å; L756-V760 WeakPolarHBondContact O-CG2 3.39Å; L756-V760 PolarHBondContact O-N 2.99Å; D757-V760 PolarHBondContact O-N 2.97Å; V760-K762 VanDerWaalsContact C-N 3.31Å; V760-K762 PolarHBondContact O-N 3.42Å; V760-W763 WeakPolarHBondContact O-CB 3.42Å; V760-W763 PolarHBondContact O-N 3.39Å; V760-W763 VanDerWaalsContact O-N 3.11Å; V760-V764 HydrophobicContact CG1-CG2 4.12Å; V760-V764 VanDerWaalsContact O-CG2 3.32Å; V760-V764 WeakPolarHBondContact O-CG2 3.24Å; V760-V764 PolarHBondContact O-N 2.83Å
761E95.9Very high93.8Very high113 Ų11380.7 Ų80.753%0.52837%0.374SS..Hα-helixtrans-55.1-48.9176-73.8173.7-175.900111D757 L758 W763 V764 E765D757-E761 WeakPolarHBondContact O-CG 3.32Å; D757-E761 PolarHBondContact O-N 3.11Å; L758-E761 PolarHBondContact O-N 3.36Å; E761-W763 VanDerWaalsContact C-N 3.31Å; E761-W763 PolarHBondContact O-N 3.05Å; E761-V764 PolarHBondContact O-N 3.31Å; E761-E765 WeakPolarHBondContact O-CG 3.47Å; E761-E765 PolarHBondContact O-N 3.47Å
762K93.8Very high93.5Very high134 Ų13473.8 Ų73.858%0.58335%0.352SS*.Hα-helixtrans-61-37.7176.7-175-179.8177.9-174.80112.9L758 L759 V760L758-K762 PolarHBondContact O-N 3.39Å; L759-K762 PolarHBondContact O-N 2.96Å; V760-K762 VanDerWaalsContact C-N 3.31Å; V760-K762 PolarHBondContact O-N 3.42Å
763W92.6Very high93.2Very high54 Ų5474.3 Ų74.321%0.20536%0.355CS..Hα-helixtrans-66.9-47.5176.9-173.7-87.7000111.3L671 A698 L759 V760 E761 E765 Q766 F767L671-W763 HydrophobicContact CB-CD2 4.47Å; L671-W763 HydrophobicContact CB-CE3 4.01Å; L671-W763 HydrophobicContact CB-CH2 3.94Å; L671-W763 HydrophobicContact CB-CZ2 4.39Å; L671-W763 HydrophobicContact CB-CZ3 3.73Å; L671-W763 HydrophobicContact CD1-CD2 4.11Å; L671-W763 HydrophobicContact CD1-CE3 3.96Å; L671-W763 HydrophobicContact CD1-CG 4.39Å; L671-W763 HydrophobicContact CD2-CD2 4.01Å; L671-W763 HydrophobicContact CD2-CE3 4.38Å; L671-W763 HydrophobicContact CD2-CG 4.38Å; L671-W763 HydrophobicContact CD2-CZ2 4.21Å; L671-W763 HydrophobicContact CG-CD2 4.43Å; L671-W763 HydrophobicContact CG-CE3 4.35Å; L671-W763 VanDerWaalsContact O-CH2 3.25Å; L671-W763 WeakPolarHBondContact O-CH2 3.46Å; A698-W763 HydrophobicContact CB-CB 4.19Å; A698-W763 VanDerWaalsContact CB-CD1 3.48Å; A698-W763 HydrophobicContact CB-CG 3.91Å; L759-W763 PolarHBondContact O-N 3.46Å; V760-W763 WeakPolarHBondContact O-CB 3.42Å; V760-W763 PolarHBondContact O-N 3.39Å; V760-W763 VanDerWaalsContact O-N 3.11Å; E761-W763 VanDerWaalsContact C-N 3.31Å; E761-W763 PolarHBondContact O-N 3.05Å; W763-E765 VanDerWaalsContact C-N 3.29Å; W763-E765 PolarHBondContact O-N 3.04Å; W763-Q766 WeakPolarHBondContact O-CB 3.09Å; W763-Q766 PolarHBondContact O-N 3.47Å; W763-Q766 VanDerWaalsContact O-N 3.1Å; W763-F767 AromaticContact CD1-CE2 3.68Å; W763-F767 AromaticContact NE1-CE2 3.35Å; W763-F767 VanDerWaalsContact NE1-CE2 3.35Å; W763-F767 AromaticContact NE1-CZ 3.99Å; W763-F767 WeakPolarHBondContact O-CD2 3.46Å
764V91.4Very high92.9Very high24 Ų2477.7 Ų77.715%0.14537%0.372CS..Hα-helixtrans-64-35.3-179.6172.20000111.6A695 V760 E761 Q766 F767A695-V764 HydrophobicContact CB-CG1 4.23Å; A695-V764 HydrophobicContact CB-CG2 4.24Å; V760-V764 HydrophobicContact CG1-CG2 4.12Å; V760-V764 VanDerWaalsContact O-CG2 3.32Å; V760-V764 WeakPolarHBondContact O-CG2 3.24Å; V760-V764 PolarHBondContact O-N 2.83Å; E761-V764 PolarHBondContact O-N 3.31Å; V764-Q766 PolarHBondContact O-N 3.05Å; V764-F767 PolarHBondContact O-N 2.61Å
765E91.7Very high92.5Very high124 Ų12478.1 Ų78.158%0.57937%0.367SS*.Hα-helixtrans-59.2-27.3174-78.6-178.9171.500113.6E761 W763 F767 K768E761-E765 WeakPolarHBondContact O-CG 3.47Å; E761-E765 PolarHBondContact O-N 3.47Å; W763-E765 VanDerWaalsContact C-N 3.29Å; W763-E765 PolarHBondContact O-N 3.04Å; E765-F767 PolarHBondContact O-N 2.86Å; E765-K768 PolarHBondContact O-N 2.65Å
766Q86.7Confident92Very high130 Ų13081.6 Ų81.661%0.60738%0.378SS*.THydrogen-bonded Turntrans-72.4-14.5176.9-61.81777.700113.5W763 V764W763-Q766 WeakPolarHBondContact O-CB 3.09Å; W763-Q766 PolarHBondContact O-N 3.47Å; W763-Q766 VanDerWaalsContact O-N 3.1Å; V764-Q766 PolarHBondContact O-N 3.05Å
767F81.1Confident91.5Very high83 Ų8388.4 Ų88.436%0.36441%0.41SS..THydrogen-bonded Turntrans-97.9-5.6176.4-68.5-91.5000113P693 A695 W763 V764 E765P693-F767 WeakPolarHBondContact O-CE1 3.49Å; A695-F767 HydrophobicContact CB-CB 4.39Å; A695-F767 HydrophobicContact CB-CG 4.45Å; W763-F767 AromaticContact CD1-CE2 3.68Å; W763-F767 AromaticContact NE1-CE2 3.35Å; W763-F767 VanDerWaalsContact NE1-CE2 3.35Å; W763-F767 AromaticContact NE1-CZ 3.99Å; W763-F767 WeakPolarHBondContact O-CD2 3.46Å; V764-F767 PolarHBondContact O-N 2.61Å; E765-F767 PolarHBondContact O-N 2.86Å
768K76.4Confident90.9Very high216 Ų21691 Ų9194%0.93942%0.418SS*.  trans-90.90171.1-66-179.5-177.3170.60109.5E765E765-K768 PolarHBondContact O-N 2.65Å

Retrieved 768 of 768 residues in 1748.2 ms (Link to these results)

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