A0A087XY41_POEFO Loading...

SWI/SNF related BAF chromatin remodeling complex subunit C2

AlphaFold DB , UniProt , Accession A0A087XY41, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,050 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
1M59.3Low80.7Confident99 Ų9959.7 Ų59.749%0.48830%0.297SS..  0141.50-72.6169.5172.500108.7V3 E220 L274 D276 E277M1-V3 PolarHBondContact O-N 3.46Å; M1-E220 VanDerWaalsContact CA-OE2 3.22Å; M1-E220 WeakPolarHBondContact CA-OE2 3.32Å; M1-E220 PolarHBondContact N-OE1 2.75Å; M1-E220 PolarHBondContact N-OE2 2.86Å; M1-L274 WeakPolarHBondContact CA-O 3.41Å; M1-L274 WeakPolarHBondContact CB-O 3.31Å; M1-D276 WeakPolarHBondContact CE-O 3.31Å; M1-E277 HydrophobicContact CE-CG 3.87Å; M1-E277 VanDerWaalsContact CE-OE1 3.3Å; M1-E277 WeakPolarHBondContact CE-OE1 3.35Å; M1-E277 HydrophobicContact SD-CG 4.22Å
2A65.8Low81.5Confident1 Ų159.7 Ų59.71%0.00830%0.302CS..  trans-81.3117-179.800000110.6L203 W205 I216 L274 T275A2-L203 HydrophobicContact CB-CD1 3.73Å; A2-W205 HydrophobicContact CB-CH2 4.47Å; A2-W205 HydrophobicContact CB-CZ2 4.34Å; A2-I216 HydrophobicContact CB-CG2 3.93Å; A2-L274 HydrophobicContact CB-CB 3.99Å; A2-L274 HydrophobicContact CB-CD1 4.49Å; A2-L274 PolarHBondContact N-O 3.13Å; A2-L274 VanDerWaalsContact N-O 3.1Å; A2-T275 WeakPolarHBondContact O-CG2 3.43Å
3V77.1Confident82Confident100 Ų10068.6 Ų68.661%0.60634%0.338SS*.  trans-121.6128.1177.2-176.20000109.1M1 T214M1-V3 PolarHBondContact O-N 3.46Å; V3-T214 WeakPolarHBondContact O-CG2 3.18Å; V3-T214 PolarHBondContact O-OG1 2.59Å
4R83.8Confident82.4Confident63 Ų6364.8 Ų64.824%0.23832%0.318CS..  trans-64.4146176.8-170.716856.3-118.38.1110.4E189 W205R4-E189 IonicContact CZ-OE1 2.69Å; R4-E189 VanDerWaalsContact CZ-OE1 3.3Å; R4-E189 IonicContact CZ-OE2 3.99Å; R4-E189 IonicContact NH1-OE1 2.59Å; R4-E189 PolarHBondContact NH1-OE1 2.88Å; R4-E189 IonicContact NH1-OE2 2.66Å; R4-E189 PolarHBondContact NH1-OE2 3.2Å; R4-E189 IonicContact NH2-OE1 3.23Å; R4-E189 PolarHBondContact NH2-OE1 2.85Å; R4-E189 IonicContact NH2-OE2 3.67Å; R4-W205 HydrophobicContact CB-CD2 3.7Å; R4-W205 HydrophobicContact CB-CE3 4Å; R4-W205 HydrophobicContact CB-CG 4.26Å; R4-W205 HydrophobicContact CB-CH2 4.06Å; R4-W205 HydrophobicContact CB-CZ2 3.77Å; R4-W205 HydrophobicContact CB-CZ3 4.14Å; R4-W205 HydrophobicContact CG-CD2 3.83Å; R4-W205 HydrophobicContact CG-CE3 4.38Å; R4-W205 HydrophobicContact CG-CG 3.84Å
5K85.6Confident82.9Confident45 Ų4560.5 Ų60.520%0.19630%0.297CS..  trans-58.5153.2169.9-62.7-173-166166.40111.1D7 G9 S211 Y212 D213K5-D7 WeakPolarHBondContact CB-O 3.29Å; K5-D7 WeakPolarHBondContact CD-O 3.48Å; K5-G9 PolarHBondContact NZ-O 2.99Å; K5-S211 WeakPolarHBondContact CD-O 3.44Å; K5-S211 WeakPolarHBondContact CE-O 3.45Å; K5-S211 PolarHBondContact NZ-O 2.98Å; K5-Y212 HydrophobicContact CB-CD1 4.32Å; K5-D213 WeakPolarHBondContact CE-O 3.16Å
6K82.8Confident83.4Confident204 Ų20465.1 Ų65.189%0.88732%0.318SS*.SBendtrans-79.9-25.5173.4-64.2-174.9178.8-177.30112.6
7D86.1Confident83.8Confident75 Ų7563.1 Ų63.140%0.40131%0.314SS..SBendtrans-139168.7-173.849.668.4000109.8K5 G9 E61 Y212K5-D7 WeakPolarHBondContact CB-O 3.29Å; K5-D7 WeakPolarHBondContact CD-O 3.48Å; D7-G9 PolarHBondContact O-N 3Å; D7-G9 WeakPolarHBondContact OD1-CA 3.38Å; D7-G9 PolarHBondContact OD1-N 3.36Å; D7-E61 HydrophobicContact CB-CG 4.33Å; D7-Y212 VanDerWaalsContact C-CE1 3.49Å
8G83.7Confident84.2Confident6 Ų665 Ų656%0.06233%0.334CS..SBendtrans-79.519.6173.900000114.3E61 S211G8-E61 WeakPolarHBondContact CA-OE2 3.37Å; G8-E61 PolarHBondContact N-OE1 2.86Å; G8-S211 WeakPolarHBondContact CA-OG 3.29Å
9G87.5Confident84.4Confident5 Ų565 Ų655%0.05234%0.335CS..  trans-70.7161.2-168.400000115.3K5 D7 N11K5-G9 PolarHBondContact NZ-O 2.99Å; D7-G9 PolarHBondContact O-N 3Å; D7-G9 WeakPolarHBondContact OD1-CA 3.38Å; D7-G9 PolarHBondContact OD1-N 3.36Å; G9-N11 PolarHBondContact O-N 3.41Å
10P89.4Confident84.6Confident15 Ų1561.8 Ų61.810%0.09732%0.318CS..  trans-62.3135177.724.3-32.5000112.1V12 V54 L57 Q58P10-V12 VanDerWaalsContact C-N 3.31Å; P10-V12 PolarHBondContact O-N 2.91Å; P10-V54 HydrophobicContact CB-CG1 4.22Å; P10-V54 HydrophobicContact CG-CG1 4.08Å; P10-L57 HydrophobicContact CB-CB 3.75Å; P10-L57 HydrophobicContact CB-CD1 4.08Å; P10-L57 HydrophobicContact CG-CB 4.04Å; P10-Q58 HydrophobicContact CG-CB 4.12Å
11N87Confident85Confident44 Ų4460 Ų6024%0.23531%0.31CS..  trans-76.588165.7-171.2-36.1000108.9G9 K13 Y14 F15G9-N11 PolarHBondContact O-N 3.41Å; N11-K13 VanDerWaalsContact C-N 3.26Å; N11-K13 PolarHBondContact O-N 3.3Å; N11-K13 PolarHBondContact OD1-N 3.03Å; N11-Y14 WeakPolarHBondContact O-CB 3.41Å; N11-Y14 PolarHBondContact O-N 3.37Å; N11-Y14 PolarHBondContact OD1-N 3.38Å; N11-Y14 VanDerWaalsContact OD1-N 3.11Å; N11-F15 WeakPolarHBondContact O-CD2 3.44Å; N11-F15 PolarHBondContact O-N 3.16Å
12V89.8Confident86.6Confident59 Ų5958.4 Ų58.436%0.35831%0.309SS..Hα-helixtrans-52.6-44.9-177.2-1750000111.4P10 Y14 F15 E16 V54P10-V12 VanDerWaalsContact C-N 3.31Å; P10-V12 PolarHBondContact O-N 2.91Å; V12-Y14 VanDerWaalsContact C-N 3.3Å; V12-Y14 PolarHBondContact O-N 2.96Å; V12-F15 PolarHBondContact O-N 3.14Å; V12-F15 VanDerWaalsContact O-N 3.1Å; V12-E16 HydrophobicContact CG1-CG 4.04Å; V12-E16 WeakPolarHBondContact O-CG 3.25Å; V12-E16 PolarHBondContact O-N 3.04Å; V12-V54 HydrophobicContact CG1-CG1 4.49Å; V12-V54 HydrophobicContact CG2-CG1 3.99Å
13K87.9Confident87.8Confident176 Ų17661.8 Ų61.877%0.76532%0.324SS*.Hα-helixtrans-59.5-36.7179.6-64.8-177179.3179.90113.1N11 A17N11-K13 VanDerWaalsContact C-N 3.26Å; N11-K13 PolarHBondContact O-N 3.3Å; N11-K13 PolarHBondContact OD1-N 3.03Å; K13-A17 PolarHBondContact O-N 2.96Å
14Y87.6Confident88.7Confident15 Ų1557 Ų576%0.05930%0.296CS..Hα-helixtrans-66.7-41.6176.2168.2-94.5000112N11 V12 T20 L82 W215N11-Y14 WeakPolarHBondContact O-CB 3.41Å; N11-Y14 PolarHBondContact O-N 3.37Å; N11-Y14 PolarHBondContact OD1-N 3.38Å; N11-Y14 VanDerWaalsContact OD1-N 3.11Å; V12-Y14 VanDerWaalsContact C-N 3.3Å; V12-Y14 PolarHBondContact O-N 2.96Å; Y14-T20 HydrophobicContact CD1-CG2 4.23Å; Y14-T20 HydrophobicContact CE1-CG2 3.78Å; Y14-T20 WeakPolarHBondContact O-CB 3.4Å; Y14-T20 WeakPolarHBondContact O-CG2 3.38Å; Y14-T20 PolarHBondContact O-OG1 3.19Å; Y14-L82 HydrophobicContact CE1-CD2 3.8Å; Y14-W215 HydrophobicContact CD2-CD2 4.18Å; Y14-W215 AromaticContact CD2-CE2 3.37Å; Y14-W215 HydrophobicContact CD2-CH2 4.4Å; Y14-W215 AromaticContact CD2-CZ2 3.52Å; Y14-W215 HydrophobicContact CD2-CZ2 3.52Å; Y14-W215 AromaticContact CD2-NE1 3.28Å; Y14-W215 VanDerWaalsContact CD2-NE1 3.28Å; Y14-W215 AromaticContact CE2-CE2 3.54Å; Y14-W215 AromaticContact CE2-CH2 3.91Å; Y14-W215 HydrophobicContact CE2-CH2 3.91Å; Y14-W215 AromaticContact CE2-CZ2 3.13Å; Y14-W215 HydrophobicContact CE2-CZ2 3.13Å; Y14-W215 AromaticContact CE2-NE1 3.77Å; Y14-W215 AromaticContact CG-NE1 3.58Å; Y14-W215 AromaticContact CZ-CZ2 3.93Å
15F90.1Very high89.2Confident0 Ų056.8 Ų56.80%030%0.299CS..Hα-helixtrans-76.9-29.8-179.5-77.7-69.1000113.4N11 V12 A17 T20 V21 F24 S50 V53 V54 L57 M78 L82N11-F15 WeakPolarHBondContact O-CD2 3.44Å; N11-F15 PolarHBondContact O-N 3.16Å; V12-F15 PolarHBondContact O-N 3.14Å; V12-F15 VanDerWaalsContact O-N 3.1Å; F15-A17 VanDerWaalsContact C-N 3.34Å; F15-T20 HydrophobicContact CD1-CG2 4.27Å; F15-V21 WeakPolarHBondContact O-CG2 3.29Å; F15-F24 HydrophobicContact CD1-CE2 4.46Å; F15-F24 HydrophobicContact CD1-CZ 4.41Å; F15-S50 WeakPolarHBondContact CB-OG 3.42Å; F15-S50 PolarHBondContact O-OG 3.28Å; F15-V53 HydrophobicContact CD1-CG1 4.12Å; F15-V53 HydrophobicContact CE1-CB 4.48Å; F15-V53 HydrophobicContact CE1-CG1 3.56Å; F15-V53 HydrophobicContact CE2-CG1 4.36Å; F15-V53 HydrophobicContact CZ-CG1 3.7Å; F15-V54 HydrophobicContact CB-CG2 3.44Å; F15-V54 VanDerWaalsContact CB-CG2 3.44Å; F15-V54 HydrophobicContact CD2-CG2 3.84Å; F15-V54 HydrophobicContact CG-CG2 3.79Å; F15-L57 HydrophobicContact CE2-CD1 3.65Å; F15-L57 HydrophobicContact CZ-CD1 3.86Å; F15-M78 HydrophobicContact CE2-CE 3.8Å; F15-M78 HydrophobicContact CZ-CE 3.7Å; F15-L82 HydrophobicContact CZ-CD2 4.27Å
16E91.1Very high89.5Confident135 Ų13558.8 Ų58.863%0.63131%0.312SS*.Hα-helixtrans-78.8-15.9174.5-69.2-172.7137.700113.7V12 S18V12-E16 HydrophobicContact CG1-CG 4.04Å; V12-E16 WeakPolarHBondContact O-CG 3.25Å; V12-E16 PolarHBondContact O-N 3.04Å; E16-S18 PolarHBondContact O-N 2.89Å
17A90.2Very high90Very high31 Ų3149 Ų4926%0.25627%0.27SS..SBendtrans-62.3131.1178.800000111.4K13 F15 D19 T20 V21K13-A17 PolarHBondContact O-N 2.96Å; F15-A17 VanDerWaalsContact C-N 3.34Å; A17-D19 VanDerWaalsContact CB-OD1 3.22Å; A17-D19 WeakPolarHBondContact CB-OD1 3.2Å; A17-D19 PolarHBondContact O-N 2.79Å; A17-D19 VanDerWaalsContact O-N 3.15Å; A17-T20 WeakPolarHBondContact O-CA 3.44Å; A17-T20 WeakPolarHBondContact O-CB 3.48Å; A17-T20 PolarHBondContact O-N 3.03Å; A17-V21 WeakPolarHBondContact O-CG2 3.16Å; A17-V21 PolarHBondContact O-N 3.07Å
18S90Very high90.5Very high97 Ų9750 Ų5068%0.67827%0.268SS*.Hα-helixtrans-54.4-38.9-171.1-169.60000113.1E16 V21 S22E16-S18 PolarHBondContact O-N 2.89Å; S18-V21 PolarHBondContact O-N 3.24Å; S18-S22 PolarHBondContact O-N 3.49Å; S18-S22 PolarHBondContact O-OG 2.62Å
19D88Confident91Very high65 Ų6552.6 Ų52.635%0.34828%0.282SS..Hα-helixtrans-71.3-31.9177.962.2-37.6000113.1A17 R197A17-D19 VanDerWaalsContact CB-OD1 3.22Å; A17-D19 WeakPolarHBondContact CB-OD1 3.2Å; A17-D19 PolarHBondContact O-N 2.79Å; A17-D19 VanDerWaalsContact O-N 3.15Å; D19-R197 PolarHBondContact O-NH2 3.49Å; D19-R197 VanDerWaalsContact O-NH2 3.14Å; D19-R197 IonicContact OD1-NH2 2.72Å; D19-R197 IonicContact OD2-CZ 2.79Å; D19-R197 IonicContact OD2-NE 3.18Å; D19-R197 PolarHBondContact OD2-NE 3.29Å; D19-R197 IonicContact OD2-NH2 3.02Å; D19-R197 PolarHBondContact OD2-NH2 3.5Å
20T88.5Confident91.4Very high0 Ų054.1 Ų54.10%029%0.286CS..Hα-helixtrans-72.1-41.9168.3-56.50000110.8Y14 F15 A17 S22 Q23 F24 F84 R197Y14-T20 HydrophobicContact CD1-CG2 4.23Å; Y14-T20 HydrophobicContact CE1-CG2 3.78Å; Y14-T20 WeakPolarHBondContact O-CB 3.4Å; Y14-T20 WeakPolarHBondContact O-CG2 3.38Å; Y14-T20 PolarHBondContact O-OG1 3.19Å; F15-T20 HydrophobicContact CD1-CG2 4.27Å; A17-T20 WeakPolarHBondContact O-CA 3.44Å; A17-T20 WeakPolarHBondContact O-CB 3.48Å; A17-T20 PolarHBondContact O-N 3.03Å; T20-S22 PolarHBondContact O-N 3.2Å; T20-Q23 WeakPolarHBondContact O-CB 3.45Å; T20-Q23 PolarHBondContact O-N 3.06Å; T20-F24 HydrophobicContact CG2-CE2 4.49Å; T20-F24 WeakPolarHBondContact O-CD2 3.43Å; T20-F84 HydrophobicContact CG2-CZ 4.18Å; T20-R197 PolarHBondContact OG1-NH1 3.49Å; T20-R197 PolarHBondContact OG1-NH2 3.41Å
21V93.4Very high91.6Very high25 Ų2553.4 Ų53.415%0.15228%0.282CS..Hα-helixtrans-57.2-40.3175.51750000110.5F15 A17 S18 Q23 F24 N46 K47F15-V21 WeakPolarHBondContact O-CG2 3.29Å; A17-V21 WeakPolarHBondContact O-CG2 3.16Å; A17-V21 PolarHBondContact O-N 3.07Å; S18-V21 PolarHBondContact O-N 3.24Å; V21-Q23 VanDerWaalsContact C-N 3.29Å; V21-Q23 PolarHBondContact O-N 3.23Å; V21-F24 WeakPolarHBondContact O-CB 3.47Å; V21-F24 PolarHBondContact O-N 2.91Å; V21-F24 VanDerWaalsContact O-N 3.16Å; V21-N46 HydrophobicContact CG1-CB 3.62Å; V21-N46 WeakPolarHBondContact O-CB 3.45Å; V21-K47 HydrophobicContact CG1-CB 4.36Å
22S92.9Very high91.8Very high66 Ų6653 Ų5346%0.46229%0.288SS..Hα-helixtrans-60.1-31.2175.2-62.30000114.3S18 T20 F24 D25S18-S22 PolarHBondContact O-N 3.49Å; S18-S22 PolarHBondContact O-OG 2.62Å; T20-S22 PolarHBondContact O-N 3.2Å; S22-F24 PolarHBondContact O-N 3.41Å; S22-D25 PolarHBondContact O-N 3.03Å; S22-D25 VanDerWaalsContact O-N 3.17Å
23Q91.3Very high92Very high71 Ų7158 Ų5833%0.33230%0.304SS..Hα-helixtrans-67.3-20.4178.5-62.6-174.841.500113.1T20 V21 D25 F84 R197T20-Q23 WeakPolarHBondContact O-CB 3.45Å; T20-Q23 PolarHBondContact O-N 3.06Å; V21-Q23 VanDerWaalsContact C-N 3.29Å; V21-Q23 PolarHBondContact O-N 3.23Å; Q23-D25 PolarHBondContact O-N 3.09Å; Q23-F84 HydrophobicContact CB-CB 4.18Å; Q23-F84 HydrophobicContact CB-CD1 3.85Å; Q23-F84 HydrophobicContact CB-CD2 4.31Å; Q23-F84 HydrophobicContact CB-CE1 4.33Å; Q23-F84 HydrophobicContact CB-CG 3.85Å; Q23-F84 VanDerWaalsContact OE1-CD2 3.22Å; Q23-R197 VanDerWaalsContact NE2-NH2 3.16Å
24F95Very high92.2Very high0 Ų054 Ų540%029%0.292CS..Hα-helixtrans-69-8.7174.1-75.6-90.9000113.9F15 T20 V21 S22 N26 V27 R28 N46 L49 S50 V53 F84 L90 L94F15-F24 HydrophobicContact CD1-CE2 4.46Å; F15-F24 HydrophobicContact CD1-CZ 4.41Å; T20-F24 HydrophobicContact CG2-CE2 4.49Å; T20-F24 WeakPolarHBondContact O-CD2 3.43Å; V21-F24 WeakPolarHBondContact O-CB 3.47Å; V21-F24 PolarHBondContact O-N 2.91Å; V21-F24 VanDerWaalsContact O-N 3.16Å; S22-F24 PolarHBondContact O-N 3.41Å; F24-N26 VanDerWaalsContact C-N 3.34Å; F24-N26 PolarHBondContact O-N 3.05Å; F24-V27 HydrophobicContact CD1-CB 4.49Å; F24-V27 WeakPolarHBondContact O-CB 3.48Å; F24-V27 PolarHBondContact O-N 3.35Å; F24-R28 VanDerWaalsContact O-CB 3.31Å; F24-R28 WeakPolarHBondContact O-CB 3.15Å; F24-R28 PolarHBondContact O-N 2.81Å; F24-N46 HydrophobicContact CB-CB 3.98Å; F24-L49 HydrophobicContact CB-CB 4.48Å; F24-L49 HydrophobicContact CB-CD1 4.38Å; F24-L49 HydrophobicContact CD1-CB 3.48Å; F24-L49 VanDerWaalsContact CD1-CB 3.48Å; F24-L49 HydrophobicContact CD1-CD1 4.19Å; F24-L49 HydrophobicContact CD1-CG 4.48Å; F24-L49 HydrophobicContact CE1-CB 3.9Å; F24-L49 HydrophobicContact CG-CB 4.16Å; F24-S50 VanDerWaalsContact CE2-CB 3.47Å; F24-S50 WeakPolarHBondContact CE2-OG 3.48Å; F24-S50 VanDerWaalsContact CZ-CA 3.5Å; F24-V53 HydrophobicContact CE1-CG2 3.8Å; F24-V53 HydrophobicContact CZ-CB 4.33Å; F24-V53 HydrophobicContact CZ-CG2 3.91Å; F24-F84 HydrophobicContact CD2-CE1 4.02Å; F24-F84 HydrophobicContact CE1-CE1 4.25Å; F24-F84 AromaticContact CE2-CE1 3.66Å; F24-F84 HydrophobicContact CE2-CE1 3.66Å; F24-F84 HydrophobicContact CE2-CZ 4.42Å; F24-F84 HydrophobicContact CG-CE1 4.46Å; F24-F84 AromaticContact CZ-CE1 3.79Å; F24-F84 HydrophobicContact CZ-CE1 3.79Å; F24-L90 HydrophobicContact CD1-CD2 4.45Å; F24-L90 HydrophobicContact CE1-CD2 3.89Å; F24-L90 HydrophobicContact CZ-CD2 4.36Å; F24-L94 HydrophobicContact CE1-CD1 4.36Å
25D94.4Very high92.4Very high58 Ų5856 Ų5631%0.3130%0.3SS..Hα-helixtrans-61.8-39.9177.2-89.2-48.9000113.1S22 Q23 V27 R28 V29 N46S22-D25 PolarHBondContact O-N 3.03Å; S22-D25 VanDerWaalsContact O-N 3.17Å; Q23-D25 PolarHBondContact O-N 3.09Å; D25-V27 VanDerWaalsContact C-N 3.31Å; D25-V27 PolarHBondContact O-N 3.01Å; D25-R28 PolarHBondContact O-N 3.13Å; D25-R28 IonicContact OD1-CZ 3.28Å; D25-R28 VanDerWaalsContact OD1-CZ 3.23Å; D25-R28 IonicContact OD1-NE 3.62Å; D25-R28 PolarHBondContact OD1-NE 3.45Å; D25-R28 IonicContact OD1-NH2 3.94Å; D25-R28 PolarHBondContact OD1-NH2 3.16Å; D25-V29 WeakPolarHBondContact O-CB 3.46Å; D25-V29 VanDerWaalsContact O-CG2 3.28Å; D25-V29 WeakPolarHBondContact O-CG2 3.49Å; D25-V29 PolarHBondContact O-N 2.65Å; D25-N46 PolarHBondContact OD1-ND2 3.1Å; D25-N46 PolarHBondContact OD1-OD1 3.37Å; D25-N46 PolarHBondContact OD2-ND2 3.4Å
26N92.8Very high92.5Very high87 Ų8762 Ų6247%0.46533%0.326SS..Hα-helixtrans-58.3-46.5173.9-73.6-39.1000111.1F24 W30 F84F24-N26 VanDerWaalsContact C-N 3.34Å; F24-N26 PolarHBondContact O-N 3.05Å; N26-W30 WeakPolarHBondContact O-CB 3.35Å; N26-W30 PolarHBondContact O-N 2.97Å; N26-F84 WeakPolarHBondContact CB-O 3.46Å
27V94.2Very high92.6Very high0 Ų063 Ų630%033%0.328CS..Hα-helixtrans-64.5-46.9179.4-176.60000110.8F24 D25 W30 L31 L49 F84 L90 L94F24-V27 HydrophobicContact CD1-CB 4.49Å; F24-V27 WeakPolarHBondContact O-CB 3.48Å; F24-V27 PolarHBondContact O-N 3.35Å; D25-V27 VanDerWaalsContact C-N 3.31Å; D25-V27 PolarHBondContact O-N 3.01Å; V27-W30 PolarHBondContact O-N 2.88Å; V27-L31 HydrophobicContact CG1-CD1 4.01Å; V27-L31 WeakPolarHBondContact O-CB 3.38Å; V27-L31 VanDerWaalsContact O-CG 3.26Å; V27-L31 WeakPolarHBondContact O-CG 3.48Å; V27-L31 PolarHBondContact O-N 3.04Å; V27-L49 HydrophobicContact CG1-CD1 4.35Å; V27-F84 HydrophobicContact CG2-CD1 4.49Å; V27-L90 HydrophobicContact CG2-CD2 4.1Å; V27-L90 HydrophobicContact CG2-CG 4.4Å; V27-L94 HydrophobicContact CG1-CD1 3.61Å
28R95.3Very high92.6Very high96 Ų9663.7 Ų63.736%0.36232%0.324SS..Hα-helixtrans-60.9-45.6177.7-177.1-178.46381.70.6111.9F24 D25 G32 P44 N46 L49F24-R28 VanDerWaalsContact O-CB 3.31Å; F24-R28 WeakPolarHBondContact O-CB 3.15Å; F24-R28 PolarHBondContact O-N 2.81Å; D25-R28 PolarHBondContact O-N 3.13Å; D25-R28 IonicContact OD1-CZ 3.28Å; D25-R28 VanDerWaalsContact OD1-CZ 3.23Å; D25-R28 IonicContact OD1-NE 3.62Å; D25-R28 PolarHBondContact OD1-NE 3.45Å; D25-R28 IonicContact OD1-NH2 3.94Å; D25-R28 PolarHBondContact OD1-NH2 3.16Å; R28-G32 PolarHBondContact O-N 2.78Å; R28-P44 WeakPolarHBondContact CD-O 3.48Å; R28-P44 WeakPolarHBondContact CG-O 3.37Å; R28-N46 WeakPolarHBondContact CD-OD1 3.32Å; R28-N46 PolarHBondContact NE-OD1 3.4Å; R28-L49 HydrophobicContact CB-CD1 3.9Å
29V94.6Very high92.7Very high60 Ų6059.6 Ų59.636%0.36429%0.294SS..Hα-helixtrans-66.9-39.6177.81700000111.1D25 G32 K33D25-V29 WeakPolarHBondContact O-CB 3.46Å; D25-V29 VanDerWaalsContact O-CG2 3.28Å; D25-V29 WeakPolarHBondContact O-CG2 3.49Å; D25-V29 PolarHBondContact O-N 2.65Å; V29-G32 PolarHBondContact O-N 2.95Å; V29-K33 HydrophobicContact CG1-CD 4.23Å; V29-K33 WeakPolarHBondContact O-CG 3.31Å; V29-K33 PolarHBondContact O-N 3.34Å
30W95.6Very high92.5Very high37 Ų3763 Ų6314%0.1431%0.308CS..Hα-helixtrans-66.8-43176.5-175.397.2000112.3N26 V27 K33 N34 Y35 G87 C91 H92 A95N26-W30 WeakPolarHBondContact O-CB 3.35Å; N26-W30 PolarHBondContact O-N 2.97Å; V27-W30 PolarHBondContact O-N 2.88Å; W30-K33 PolarHBondContact O-N 3.42Å; W30-N34 PolarHBondContact NE1-ND2 3.16Å; W30-N34 PolarHBondContact O-N 3.22Å; W30-N34 PolarHBondContact O-ND2 3.05Å; W30-Y35 HydrophobicContact CH2-CD2 4.13Å; W30-Y35 AromaticContact CH2-CE2 3.61Å; W30-Y35 HydrophobicContact CH2-CE2 3.61Å; W30-Y35 AromaticContact CZ3-CD2 3.81Å; W30-Y35 HydrophobicContact CZ3-CD2 3.81Å; W30-Y35 AromaticContact CZ3-CE2 3.76Å; W30-Y35 HydrophobicContact CZ3-CE2 3.76Å; W30-G87 VanDerWaalsContact CD1-N 3.31Å; W30-C91 HydrophobicContact CD2-CB 3.91Å; W30-C91 HydrophobicContact CE3-CB 3.55Å; W30-C91 HydrophobicContact CH2-CB 4.09Å; W30-C91 HydrophobicContact CZ2-CB 4.44Å; W30-C91 HydrophobicContact CZ3-CB 3.65Å; W30-H92 AromaticContact CH2-CE1 3.78Å; W30-H92 AromaticContact CH2-NE2 3.8Å; W30-H92 AromaticContact CZ2-CE1 3.9Å; W30-H92 AromaticContact CZ2-NE2 3.66Å; W30-A95 HydrophobicContact CZ3-CB 4.03Å
31L94Very high92.3Very high0 Ų068.1 Ų68.10%035%0.351CS..Hα-helixtrans-62-43.1172.7-71.3169.7000111.1V27 K33 N34 Y35 K36 I39 L49 L94 A95V27-L31 HydrophobicContact CG1-CD1 4.01Å; V27-L31 WeakPolarHBondContact O-CB 3.38Å; V27-L31 VanDerWaalsContact O-CG 3.26Å; V27-L31 WeakPolarHBondContact O-CG 3.48Å; V27-L31 PolarHBondContact O-N 3.04Å; L31-K33 PolarHBondContact O-N 3.49Å; L31-N34 PolarHBondContact O-N 2.94Å; L31-Y35 CarbonylContact O-C 3.58Å; L31-Y35 WeakPolarHBondContact O-CA 3.28Å; L31-Y35 PolarHBondContact O-N 3.07Å; L31-K36 PolarHBondContact O-N 2.82Å; L31-I39 HydrophobicContact CB-CD1 4.02Å; L31-L49 HydrophobicContact CD1-CD1 4.27Å; L31-L49 HydrophobicContact CD1-CD2 4.11Å; L31-L94 HydrophobicContact CD1-CB 4.02Å; L31-A95 HydrophobicContact CD2-CB 3.76Å
32G91.9Very high91.9Very high35 Ų3572.2 Ų72.236%0.36137%0.368SS..Hα-helixtrans-58.6-30.4175.600000114.6R28 V29R28-G32 PolarHBondContact O-N 2.78Å; V29-G32 PolarHBondContact O-N 2.95Å
33K93.4Very high91.6Very high163 Ų16373.8 Ų73.871%0.70938%0.377SS*.Hα-helixtrans-84.5-51.5175.7-71.6171.1-179.9178.10112.2V29 W30 L31V29-K33 HydrophobicContact CG1-CD 4.23Å; V29-K33 WeakPolarHBondContact O-CG 3.31Å; V29-K33 PolarHBondContact O-N 3.34Å; W30-K33 PolarHBondContact O-N 3.42Å; L31-K33 PolarHBondContact O-N 3.49Å
34N92.5Very high91.7Very high94 Ų9471 Ų7150%0.50337%0.365SS..Hα-helixtrans-92.1-31.5-166.4-63.3-75.7000114.2W30 L31W30-N34 PolarHBondContact NE1-ND2 3.16Å; W30-N34 PolarHBondContact O-N 3.22Å; W30-N34 PolarHBondContact O-ND2 3.05Å; L31-N34 PolarHBondContact O-N 2.94Å
35Y91.9Very high91.7Very high57 Ų5775 Ų7522%0.22439%0.39CS..SBendtrans-118.215.9-173-73.8-97.2000113.3W30 L31 K37 Y38 A95W30-Y35 HydrophobicContact CH2-CD2 4.13Å; W30-Y35 AromaticContact CH2-CE2 3.61Å; W30-Y35 HydrophobicContact CH2-CE2 3.61Å; W30-Y35 AromaticContact CZ3-CD2 3.81Å; W30-Y35 HydrophobicContact CZ3-CD2 3.81Å; W30-Y35 AromaticContact CZ3-CE2 3.76Å; W30-Y35 HydrophobicContact CZ3-CE2 3.76Å; L31-Y35 CarbonylContact O-C 3.58Å; L31-Y35 WeakPolarHBondContact O-CA 3.28Å; L31-Y35 PolarHBondContact O-N 3.07Å; Y35-K37 VanDerWaalsContact C-N 3.27Å; Y35-K37 PolarHBondContact O-N 2.97Å; Y35-Y38 AromaticContact CD1-CD2 3.77Å; Y35-Y38 HydrophobicContact CD1-CD2 3.77Å; Y35-Y38 HydrophobicContact CD1-CE2 4.03Å; Y35-Y38 WeakPolarHBondContact O-CB 3.49Å; Y35-Y38 PolarHBondContact O-N 3.17Å; Y35-A95 HydrophobicContact CD1-CB 3.85Å; Y35-A95 HydrophobicContact CD2-CB 3.68Å; Y35-A95 HydrophobicContact CE1-CB 3.78Å; Y35-A95 HydrophobicContact CE2-CB 3.61Å; Y35-A95 HydrophobicContact CG-CB 3.83Å
36K91.5Very high91.7Very high125 Ų12573.3 Ų73.354%0.54338%0.381SS..Hα-helixtrans-39.4-48.4-174.5-170.8175177.21790114.6L31 Y38 I39 Q40L31-K36 PolarHBondContact O-N 2.82Å; K36-Y38 PolarHBondContact O-N 3.39Å; K36-Y38 VanDerWaalsContact O-N 3.12Å; K36-I39 WeakPolarHBondContact O-CG1 3.3Å; K36-I39 PolarHBondContact O-N 3.02Å; K36-I39 VanDerWaalsContact O-N 3.08Å; K36-Q40 WeakPolarHBondContact O-CB 3.27Å; K36-Q40 PolarHBondContact O-N 3.4Å
37K93.2Very high91.8Very high156 Ų15676.6 Ų76.668%0.67839%0.391SS*.Hα-helixtrans-58.9-25.8-177.373.8175.5-169.81740114.6Y35Y35-K37 VanDerWaalsContact C-N 3.27Å; Y35-K37 PolarHBondContact O-N 2.97Å
38Y90Very high91.8Very high46 Ų4678.7 Ų78.718%0.1841%0.405CS..Hα-helixtrans-89.5-14.5-178.8-63.8-66.9000113.4Y35 K36 K99 D103Y35-Y38 AromaticContact CD1-CD2 3.77Å; Y35-Y38 HydrophobicContact CD1-CD2 3.77Å; Y35-Y38 HydrophobicContact CD1-CE2 4.03Å; Y35-Y38 WeakPolarHBondContact O-CB 3.49Å; Y35-Y38 PolarHBondContact O-N 3.17Å; K36-Y38 PolarHBondContact O-N 3.39Å; K36-Y38 VanDerWaalsContact O-N 3.12Å; Y38-K99 HydrophobicContact CD1-CB 4.36Å; Y38-K99 HydrophobicContact CD1-CG 4.39Å; Y38-K99 HydrophobicContact CD2-CB 4.35Å; Y38-K99 HydrophobicContact CE1-CB 4.25Å; Y38-K99 HydrophobicContact CE1-CG 3.81Å; Y38-K99 HydrophobicContact CE2-CB 4.24Å; Y38-K99 HydrophobicContact CE2-CD 4.32Å; Y38-K99 HydrophobicContact CE2-CG 4.15Å; Y38-K99 HydrophobicContact CG-CB 4.37Å; Y38-D103 WeakPolarHBondContact CE1-OD1 3.35Å
39I91.4Very high91.8Very high10 Ų1074.1 Ų74.15%0.05139%0.388CS..Hα-helixtrans-123-6.1-17563.8178.7000113.4L31 K36 A41 E42 P43 P44 Y98L31-I39 HydrophobicContact CB-CD1 4.02Å; K36-I39 WeakPolarHBondContact O-CG1 3.3Å; K36-I39 PolarHBondContact O-N 3.02Å; K36-I39 VanDerWaalsContact O-N 3.08Å; I39-A41 PolarHBondContact O-N 3Å; I39-E42 CarbonylContact O-C 3.6Å; I39-E42 PolarHBondContact O-N 2.93Å; I39-E42 VanDerWaalsContact O-N 3.13Å; I39-P43 WeakPolarHBondContact O-CA 3.21Å; I39-P44 HydrophobicContact CD1-CG 4.36Å; I39-Y98 HydrophobicContact CG2-CD1 3.7Å; I39-Y98 HydrophobicContact CG2-CD2 4.36Å; I39-Y98 HydrophobicContact CG2-CE1 4.35Å; I39-Y98 HydrophobicContact CG2-CG 3.71Å
40Q85.2Confident91.9Very high136 Ų13671.4 Ų71.464%0.63637%0.372SS*.THydrogen-bonded Turntrans-63-26.7-177.3178.6169.5-18.500113.8K36 E42K36-Q40 WeakPolarHBondContact O-CB 3.27Å; K36-Q40 PolarHBondContact O-N 3.4Å; Q40-E42 VanDerWaalsContact C-N 3.35Å
41A83Confident91.9Very high108 Ų10872.5 Ų72.589%0.89339%0.385SS*.THydrogen-bonded Turntrans-75.3-22.517700000113.6I39I39-A41 PolarHBondContact O-N 3Å
42E84.8Confident92Very high111 Ų11172.7 Ų72.752%0.51939%0.386SS..SBendtrans-154.680-177.2-173.3-179.1-159.500108I39 Q40 P44 K101I39-E42 CarbonylContact O-C 3.6Å; I39-E42 PolarHBondContact O-N 2.93Å; I39-E42 VanDerWaalsContact O-N 3.13Å; Q40-E42 VanDerWaalsContact C-N 3.35Å; E42-P44 WeakPolarHBondContact O-CD 3.39Å; E42-K101 IonicContact OE2-NZ 2.7Å; E42-K101 PolarHBondContact OE2-NZ 3.43Å
43P88.6Confident92.2Very high100 Ų10071 Ų7165%0.64937%0.369SS*.PPolyproline II helixtrans-67.6122.1-171.525.3-33.5000110.7I39 T45I39-P43 WeakPolarHBondContact O-CA 3.21Å; P43-T45 PolarHBondContact O-N 2.92Å
44P92.3Very high92.3Very high11 Ų1164.3 Ų64.37%0.07134%0.341CS..PPolyproline II helixtrans-71.4133.6-17127-35.4000112.4R28 I39 E42 L49R28-P44 WeakPolarHBondContact CD-O 3.48Å; R28-P44 WeakPolarHBondContact CG-O 3.37Å; I39-P44 HydrophobicContact CD1-CG 4.36Å; E42-P44 WeakPolarHBondContact O-CD 3.39Å; P44-L49 HydrophobicContact CB-CD2 3.59Å; P44-L49 HydrophobicContact CB-CG 3.95Å; P44-L49 HydrophobicContact CG-CD2 4.05Å
45T94.9Very high92.5Very high85 Ų8563.2 Ų63.252%0.52133%0.333SS..PPolyproline II helixtrans-84.3155.9166.465.70000110.3P43 K47 S48 L49P43-T45 PolarHBondContact O-N 2.92Å; T45-K47 PolarHBondContact O-N 3.25Å; T45-S48 PolarHBondContact N-OG 2.93Å; T45-S48 WeakPolarHBondContact O-CA 3.46Å; T45-S48 PolarHBondContact O-N 2.96Å; T45-S48 PolarHBondContact O-OG 3.19Å; T45-S48 WeakPolarHBondContact OG1-CB 3.37Å; T45-S48 PolarHBondContact OG1-N 2.95Å; T45-S48 PolarHBondContact OG1-OG 3.3Å; T45-L49 PolarHBondContact O-N 3.45Å
46N95.3Very high92.7Very high23 Ų2360.5 Ų60.512%0.12332%0.323CS..Hα-helixtrans-52.6-41.7176.6-62.61.6000112.5V21 F24 D25 R28 S48 L49 S50V21-N46 HydrophobicContact CG1-CB 3.62Å; V21-N46 WeakPolarHBondContact O-CB 3.45Å; F24-N46 HydrophobicContact CB-CB 3.98Å; D25-N46 PolarHBondContact OD1-ND2 3.1Å; D25-N46 PolarHBondContact OD1-OD1 3.37Å; D25-N46 PolarHBondContact OD2-ND2 3.4Å; R28-N46 WeakPolarHBondContact CD-OD1 3.32Å; R28-N46 PolarHBondContact NE-OD1 3.4Å; N46-S48 PolarHBondContact O-N 3.18Å; N46-L49 PolarHBondContact O-N 3.07Å; N46-S50 PolarHBondContact O-N 2.59Å
47K94.9Very high92.8Very high155 Ų15554.9 Ų54.967%0.67430%0.298SS*.Hα-helixtrans-65-36.8176.9-170.4171.1-177.3174.10112.4V21 T45 S51V21-K47 HydrophobicContact CG1-CB 4.36Å; T45-K47 PolarHBondContact O-N 3.25Å; K47-S51 WeakPolarHBondContact O-CB 3.38Å; K47-S51 PolarHBondContact O-N 2.9Å
48S94.4Very high92.9Very high44 Ų4451 Ų5131%0.30828%0.283SS..Hα-helixtrans-69.4-37.5174.4710000112.9T45 N46 L52T45-S48 PolarHBondContact N-OG 2.93Å; T45-S48 WeakPolarHBondContact O-CA 3.46Å; T45-S48 PolarHBondContact O-N 2.96Å; T45-S48 PolarHBondContact O-OG 3.19Å; T45-S48 WeakPolarHBondContact OG1-CB 3.37Å; T45-S48 PolarHBondContact OG1-N 2.95Å; T45-S48 PolarHBondContact OG1-OG 3.3Å; N46-S48 PolarHBondContact O-N 3.18Å; S48-L52 WeakPolarHBondContact O-CB 3.33Å; S48-L52 PolarHBondContact O-N 3.4Å
49L95.4Very high93.2Very high0 Ų048.9 Ų48.90%028%0.275CS..Hα-helixtrans-65.1-44.5173.9-64.5-179.4000111.2F24 V27 R28 L31 P44 T45 N46 L52 V53 L94 Y98F24-L49 HydrophobicContact CB-CB 4.48Å; F24-L49 HydrophobicContact CB-CD1 4.38Å; F24-L49 HydrophobicContact CD1-CB 3.48Å; F24-L49 VanDerWaalsContact CD1-CB 3.48Å; F24-L49 HydrophobicContact CD1-CD1 4.19Å; F24-L49 HydrophobicContact CD1-CG 4.48Å; F24-L49 HydrophobicContact CE1-CB 3.9Å; F24-L49 HydrophobicContact CG-CB 4.16Å; V27-L49 HydrophobicContact CG1-CD1 4.35Å; R28-L49 HydrophobicContact CB-CD1 3.9Å; L31-L49 HydrophobicContact CD1-CD1 4.27Å; L31-L49 HydrophobicContact CD1-CD2 4.11Å; P44-L49 HydrophobicContact CB-CD2 3.59Å; P44-L49 HydrophobicContact CB-CG 3.95Å; P44-L49 HydrophobicContact CG-CD2 4.05Å; T45-L49 PolarHBondContact O-N 3.45Å; N46-L49 PolarHBondContact O-N 3.07Å; L49-L52 PolarHBondContact O-N 3.29Å; L49-V53 WeakPolarHBondContact O-CG2 3.48Å; L49-V53 PolarHBondContact O-N 3.06Å; L49-L94 HydrophobicContact CD2-CD1 4.32Å; L49-L94 HydrophobicContact CD2-CD2 4.41Å; L49-Y98 HydrophobicContact CD2-CE2 3.66Å
50S95.9Very high93.3Very high4 Ų448.6 Ų48.63%0.02827%0.273CS..Hα-helixtrans-63.3-44.7177.3-163.30000112.2F15 F24 N46 L52 V53 V54F15-S50 WeakPolarHBondContact CB-OG 3.42Å; F15-S50 PolarHBondContact O-OG 3.28Å; F24-S50 VanDerWaalsContact CE2-CB 3.47Å; F24-S50 WeakPolarHBondContact CE2-OG 3.48Å; F24-S50 VanDerWaalsContact CZ-CA 3.5Å; N46-S50 PolarHBondContact O-N 2.59Å; S50-L52 VanDerWaalsContact C-N 3.3Å; S50-L52 PolarHBondContact O-N 3.15Å; S50-V53 PolarHBondContact O-N 2.91Å; S50-V54 PolarHBondContact O-N 2.92Å
51S95.3Very high93.8Very high59 Ų5942.5 Ų42.541%0.41324%0.244SC..Hα-helixtrans-61.3-37.3174.4-173.70000112.5K47 V54 Q55K47-S51 WeakPolarHBondContact O-CB 3.38Å; K47-S51 PolarHBondContact O-N 2.9Å; S51-V54 PolarHBondContact O-N 2.98Å; S51-Q55 VanDerWaalsContact O-CG 3.27Å; S51-Q55 WeakPolarHBondContact O-CG 3.46Å; S51-Q55 PolarHBondContact O-N 3.21Å; S51-Q55 PolarHBondContact O-NE2 3.47Å; S51-Q55 PolarHBondContact OG-NE2 3.35Å; S51-Q55 VanDerWaalsContact OG-NE2 3.15Å
52L95.6Very high94.2Very high4 Ų441.8 Ų41.82%0.02122%0.223CC..Hα-helixtrans-66.9-38.1174.8179.357.7000112.3S48 L49 S50 Q55 L56 L94 Y98 F109 F111S48-L52 WeakPolarHBondContact O-CB 3.33Å; S48-L52 PolarHBondContact O-N 3.4Å; L49-L52 PolarHBondContact O-N 3.29Å; S50-L52 VanDerWaalsContact C-N 3.3Å; S50-L52 PolarHBondContact O-N 3.15Å; L52-Q55 PolarHBondContact O-N 3.12Å; L52-L56 HydrophobicContact CD1-CD1 4.31Å; L52-L56 HydrophobicContact CD1-CG 4.25Å; L52-L56 HydrophobicContact CG-CD1 4.08Å; L52-L56 WeakPolarHBondContact O-CB 3.23Å; L52-L56 VanDerWaalsContact O-CG 3.28Å; L52-L56 WeakPolarHBondContact O-CG 3.47Å; L52-L56 PolarHBondContact O-N 3.48Å; L52-L94 HydrophobicContact CD2-CD2 3.67Å; L52-L94 HydrophobicContact CG-CD2 4.02Å; L52-Y98 HydrophobicContact CD2-CD2 4.38Å; L52-Y98 HydrophobicContact CD2-CE2 3.63Å; L52-F109 HydrophobicContact CD1-CB 4.23Å; L52-F109 HydrophobicContact CD1-CD1 4.05Å; L52-F109 HydrophobicContact CD1-CD2 3.55Å; L52-F109 HydrophobicContact CD1-CE1 4.28Å; L52-F109 HydrophobicContact CD1-CE2 3.81Å; L52-F109 HydrophobicContact CD1-CG 3.68Å; L52-F109 HydrophobicContact CD1-CZ 4.16Å; L52-F109 HydrophobicContact CD2-CD2 3.93Å; L52-F109 HydrophobicContact CD2-CE2 3.35Å; L52-F109 HydrophobicContact CD2-CZ 3.72Å; L52-F109 HydrophobicContact CG-CD2 4.36Å; L52-F109 HydrophobicContact CG-CE2 4.23Å; L52-F111 HydrophobicContact CD1-CE2 3.87Å; L52-F111 HydrophobicContact CD1-CZ 4.08Å
53V96.5Very high94.7Very high0 Ų037.6 Ų37.60%020%0.204CC..Hα-helixtrans-62.6-44.1173.1169.70000111.3F15 F24 L49 S50 Q55 L56 L57 F81 L90 L94F15-V53 HydrophobicContact CD1-CG1 4.12Å; F15-V53 HydrophobicContact CE1-CB 4.48Å; F15-V53 HydrophobicContact CE1-CG1 3.56Å; F15-V53 HydrophobicContact CE2-CG1 4.36Å; F15-V53 HydrophobicContact CZ-CG1 3.7Å; F24-V53 HydrophobicContact CE1-CG2 3.8Å; F24-V53 HydrophobicContact CZ-CB 4.33Å; F24-V53 HydrophobicContact CZ-CG2 3.91Å; L49-V53 WeakPolarHBondContact O-CG2 3.48Å; L49-V53 PolarHBondContact O-N 3.06Å; S50-V53 PolarHBondContact O-N 2.91Å; V53-Q55 VanDerWaalsContact C-N 3.35Å; V53-Q55 PolarHBondContact O-N 2.85Å; V53-L56 PolarHBondContact O-N 2.59Å; V53-L57 HydrophobicContact CG1-CD1 3.83Å; V53-L57 HydrophobicContact CG1-CG 4.43Å; V53-L57 WeakPolarHBondContact O-CB 3.46Å; V53-L57 WeakPolarHBondContact O-CG 3.42Å; V53-L57 PolarHBondContact O-N 2.88Å; V53-F81 HydrophobicContact CG1-CB 4.43Å; V53-F81 HydrophobicContact CG1-CD1 4.08Å; V53-L90 HydrophobicContact CG2-CD1 3.6Å; V53-L94 HydrophobicContact CG2-CD1 4.41Å; V53-L94 HydrophobicContact CG2-CD2 4.3Å
54V96Very high94.9Very high22 Ų2232.9 Ų32.913%0.13317%0.174CC..Hα-helixtrans-59.8-44.9174.4173.30000111.1P10 V12 F15 S50 S51 L57 Q58P10-V54 HydrophobicContact CB-CG1 4.22Å; P10-V54 HydrophobicContact CG-CG1 4.08Å; V12-V54 HydrophobicContact CG1-CG1 4.49Å; V12-V54 HydrophobicContact CG2-CG1 3.99Å; F15-V54 HydrophobicContact CB-CG2 3.44Å; F15-V54 VanDerWaalsContact CB-CG2 3.44Å; F15-V54 HydrophobicContact CD2-CG2 3.84Å; F15-V54 HydrophobicContact CG-CG2 3.79Å; S50-V54 PolarHBondContact O-N 2.92Å; S51-V54 PolarHBondContact O-N 2.98Å; V54-L57 PolarHBondContact O-N 3.34Å; V54-Q58 VanDerWaalsContact O-CB 3.31Å; V54-Q58 WeakPolarHBondContact O-CB 3.26Å; V54-Q58 PolarHBondContact O-N 3.46Å
55Q95.8Very high94.9Very high72 Ų7232.4 Ų32.434%0.33617%0.171SC..Hα-helixtrans-64.2-40.8177.8-71.5168.950.800113.1S51 L52 V53 Q58 F59 F111S51-Q55 VanDerWaalsContact O-CG 3.27Å; S51-Q55 WeakPolarHBondContact O-CG 3.46Å; S51-Q55 PolarHBondContact O-N 3.21Å; S51-Q55 PolarHBondContact O-NE2 3.47Å; S51-Q55 PolarHBondContact OG-NE2 3.35Å; S51-Q55 VanDerWaalsContact OG-NE2 3.15Å; L52-Q55 PolarHBondContact O-N 3.12Å; V53-Q55 VanDerWaalsContact C-N 3.35Å; V53-Q55 PolarHBondContact O-N 2.85Å; Q55-Q58 PolarHBondContact O-N 2.89Å; Q55-F59 WeakPolarHBondContact O-CB 3.39Å; Q55-F59 PolarHBondContact O-N 3.38Å; Q55-F111 HydrophobicContact CB-CD2 3.68Å; Q55-F111 HydrophobicContact CB-CE2 3.72Å; Q55-F111 HydrophobicContact CG-CD2 4.44Å
56L96.3Very high94.6Very high0 Ų034.1 Ų34.10%017%0.168CC..Hα-helixtrans-63.4-46.2175.5-75.4165.4000111.4L52 V53 F59 Q60 F81 I93 F111 M123 F124 I127L52-L56 HydrophobicContact CD1-CD1 4.31Å; L52-L56 HydrophobicContact CD1-CG 4.25Å; L52-L56 HydrophobicContact CG-CD1 4.08Å; L52-L56 WeakPolarHBondContact O-CB 3.23Å; L52-L56 VanDerWaalsContact O-CG 3.28Å; L52-L56 WeakPolarHBondContact O-CG 3.47Å; L52-L56 PolarHBondContact O-N 3.48Å; V53-L56 PolarHBondContact O-N 2.59Å; L56-F59 PolarHBondContact O-N 2.94Å; L56-Q60 VanDerWaalsContact O-CB 3.3Å; L56-Q60 WeakPolarHBondContact O-CB 3.39Å; L56-Q60 PolarHBondContact O-N 3.45Å; L56-F81 HydrophobicContact CB-CE1 4.27Å; L56-I93 HydrophobicContact CD1-CG2 4.09Å; L56-F111 HydrophobicContact CD2-CE1 3.77Å; L56-F111 HydrophobicContact CD2-CZ 3.58Å; L56-F111 HydrophobicContact CG-CZ 3.99Å; L56-M123 HydrophobicContact CD2-CE 4.03Å; L56-F124 HydrophobicContact CB-CZ 4.1Å; L56-F124 HydrophobicContact CD2-CE2 3.66Å; L56-F124 HydrophobicContact CD2-CZ 3.6Å; L56-F124 HydrophobicContact CG-CZ 4.48Å; L56-F124 WeakPolarHBondContact O-CZ 3.44Å; L56-I127 HydrophobicContact CD2-CD1 4.34Å
57L95.1Very high94.3Very high6 Ų639.2 Ų39.23%0.03119%0.191CC..Hα-helixtrans-65.7-38.4177.6-75.1170.6000112.4P10 F15 V53 V54 Q60 E61 M78 F81P10-L57 HydrophobicContact CB-CB 3.75Å; P10-L57 HydrophobicContact CB-CD1 4.08Å; P10-L57 HydrophobicContact CG-CB 4.04Å; F15-L57 HydrophobicContact CE2-CD1 3.65Å; F15-L57 HydrophobicContact CZ-CD1 3.86Å; V53-L57 HydrophobicContact CG1-CD1 3.83Å; V53-L57 HydrophobicContact CG1-CG 4.43Å; V53-L57 WeakPolarHBondContact O-CB 3.46Å; V53-L57 WeakPolarHBondContact O-CG 3.42Å; V53-L57 PolarHBondContact O-N 2.88Å; V54-L57 PolarHBondContact O-N 3.34Å; L57-Q60 PolarHBondContact O-N 3.3Å; L57-E61 PolarHBondContact O-N 3.18Å; L57-M78 HydrophobicContact CD1-CE 3.82Å; L57-M78 HydrophobicContact CD1-SD 3.84Å; L57-M78 HydrophobicContact CD2-SD 3.68Å; L57-M78 HydrophobicContact CG-SD 4.45Å; L57-F81 HydrophobicContact CD1-CB 4.47Å; L57-F81 HydrophobicContact CD1-CG 4.45Å; L57-F81 HydrophobicContact CD2-CB 4.49Å; L57-F81 HydrophobicContact CD2-CD1 4.12Å; L57-F81 HydrophobicContact CD2-CD2 3.61Å; L57-F81 HydrophobicContact CD2-CE1 4.16Å; L57-F81 HydrophobicContact CD2-CE2 3.66Å; L57-F81 HydrophobicContact CD2-CG 3.83Å; L57-F81 HydrophobicContact CD2-CZ 3.94Å; L57-F81 HydrophobicContact CG-CD1 4.13Å; L57-F81 HydrophobicContact CG-CD2 4.48Å; L57-F81 HydrophobicContact CG-CE1 4.25Å; L57-F81 HydrophobicContact CG-CG 4.23Å; L57-F81 HydrophobicContact CG-CZ 4.47Å
58Q94.8Very high94.2Very high75 Ų7533.9 Ų33.935%0.3517%0.171SC..Hα-helixtrans-63.7-49.5175.9-172.364.230.600111.1P10 V54 Q55 Q60 E61 E62P10-Q58 HydrophobicContact CG-CB 4.12Å; V54-Q58 VanDerWaalsContact O-CB 3.31Å; V54-Q58 WeakPolarHBondContact O-CB 3.26Å; V54-Q58 PolarHBondContact O-N 3.46Å; Q55-Q58 PolarHBondContact O-N 2.89Å; Q58-Q60 VanDerWaalsContact C-N 3.31Å; Q58-Q60 PolarHBondContact O-N 2.88Å; Q58-E61 PolarHBondContact O-N 2.98Å; Q58-E62 WeakPolarHBondContact CG-OE1 3.27Å; Q58-E62 PolarHBondContact NE2-OE1 2.93Å; Q58-E62 WeakPolarHBondContact O-CB 3.32Å; Q58-E62 WeakPolarHBondContact O-CG 3.4Å; Q58-E62 PolarHBondContact O-N 3.21Å
59F95.3Very high93.7Very high2 Ų238 Ų381%0.00920%0.2CC..Hα-helixtrans-60.8-39.3175.7-179.4-90.7000112.1Q55 L56 E61 E62 V63 F64 F111 M117 N120 V121 F124Q55-F59 WeakPolarHBondContact O-CB 3.39Å; Q55-F59 PolarHBondContact O-N 3.38Å; L56-F59 PolarHBondContact O-N 2.94Å; F59-E61 PolarHBondContact O-N 3.15Å; F59-E62 PolarHBondContact O-N 2.98Å; F59-V63 HydrophobicContact CD1-CG2 4.4Å; F59-V63 HydrophobicContact CD2-CG2 3.91Å; F59-V63 HydrophobicContact CE1-CB 4.36Å; F59-V63 HydrophobicContact CE1-CG2 4.2Å; F59-V63 HydrophobicContact CE2-CG2 3.7Å; F59-V63 HydrophobicContact CG-CG2 4.27Å; F59-V63 HydrophobicContact CZ-CB 4.36Å; F59-V63 HydrophobicContact CZ-CG1 4.45Å; F59-V63 HydrophobicContact CZ-CG2 3.85Å; F59-V63 WeakPolarHBondContact O-CB 3.34Å; F59-V63 WeakPolarHBondContact O-CG2 3.29Å; F59-V63 PolarHBondContact O-N 3.05Å; F59-F64 AromaticContact CE1-CZ 3.94Å; F59-F64 HydrophobicContact CE1-CZ 3.94Å; F59-F111 HydrophobicContact CB-CB 4.22Å; F59-F111 HydrophobicContact CB-CD1 3.8Å; F59-F111 HydrophobicContact CB-CG 4.22Å; F59-F111 HydrophobicContact CD1-CD1 4.3Å; F59-F111 HydrophobicContact CD2-CB 3.88Å; F59-F111 AromaticContact CD2-CD1 3.8Å; F59-F111 HydrophobicContact CD2-CD1 3.8Å; F59-F111 HydrophobicContact CD2-CG 4.32Å; F59-F111 HydrophobicContact CE2-CD1 4.44Å; F59-F111 HydrophobicContact CG-CB 4.36Å; F59-F111 AromaticContact CG-CD1 3.7Å; F59-F111 HydrophobicContact CG-CD1 3.7Å; F59-F111 HydrophobicContact CG-CE1 4.49Å; F59-F111 HydrophobicContact CG-CG 4.42Å; F59-M117 HydrophobicContact CE2-CE 3.95Å; F59-M117 HydrophobicContact CE2-SD 3.55Å; F59-M117 VanDerWaalsContact CE2-SD 3.55Å; F59-M117 HydrophobicContact CZ-SD 3.6Å; F59-N120 HydrophobicContact CE1-CB 3.92Å; F59-N120 HydrophobicContact CE2-CB 3.74Å; F59-N120 HydrophobicContact CZ-CB 3.34Å; F59-V121 HydrophobicContact CZ-CG2 4.34Å; F59-F124 AromaticContact CD1-CD2 3.94Å; F59-F124 HydrophobicContact CD1-CD2 3.94Å; F59-F124 AromaticContact CD1-CE2 3.46Å; F59-F124 HydrophobicContact CD1-CE2 3.46Å; F59-F124 VanDerWaalsContact CD1-CE2 3.46Å; F59-F124 HydrophobicContact CD1-CZ 4.2Å; F59-F124 AromaticContact CE1-CD2 3.93Å; F59-F124 HydrophobicContact CE1-CD2 3.93Å; F59-F124 AromaticContact CE1-CE2 3.94Å; F59-F124 HydrophobicContact CE1-CE2 3.94Å; F59-F124 HydrophobicContact CG-CE2 4.44Å
60Q94.8Very high93.4Very high3 Ų344.5 Ų44.51%0.01424%0.235CC..Hα-helixtrans-61-40.8175.5170163.5-78.800112.2L56 L57 Q58 F64 G65 K75 L76 F124L56-Q60 VanDerWaalsContact O-CB 3.3Å; L56-Q60 WeakPolarHBondContact O-CB 3.39Å; L56-Q60 PolarHBondContact O-N 3.45Å; L57-Q60 PolarHBondContact O-N 3.3Å; Q58-Q60 VanDerWaalsContact C-N 3.31Å; Q58-Q60 PolarHBondContact O-N 2.88Å; Q60-F64 HydrophobicContact CB-CD2 4.29Å; Q60-F64 HydrophobicContact CG-CD2 4.03Å; Q60-F64 CarbonylContact O-C 3.54Å; Q60-F64 VanDerWaalsContact O-CA 3.27Å; Q60-F64 WeakPolarHBondContact O-CA 3.46Å; Q60-F64 VanDerWaalsContact O-CB 3.23Å; Q60-F64 WeakPolarHBondContact O-CB 3.44Å; Q60-F64 PolarHBondContact O-N 2.84Å; Q60-G65 PolarHBondContact O-N 3.32Å; Q60-K75 HydrophobicContact CG-CB 4.07Å; Q60-K75 HydrophobicContact CG-CD 4.44Å; Q60-K75 HydrophobicContact CG-CG 3.82Å; Q60-L76 PolarHBondContact NE2-O 2.94Å; Q60-F124 HydrophobicContact CB-CE1 4.22Å; Q60-F124 HydrophobicContact CB-CZ 4.29Å
61E94Very high93.2Very high8 Ų846.1 Ų46.14%0.03725%0.245CC..Hα-helixtrans-75.3-40.2176.4-172.763.4-167.300112D7 G8 L57 Q58 F59 V63 G65 H67 K75D7-E61 HydrophobicContact CB-CG 4.33Å; G8-E61 WeakPolarHBondContact CA-OE2 3.37Å; G8-E61 PolarHBondContact N-OE1 2.86Å; L57-E61 PolarHBondContact O-N 3.18Å; Q58-E61 PolarHBondContact O-N 2.98Å; F59-E61 PolarHBondContact O-N 3.15Å; E61-V63 PolarHBondContact O-N 3.35Å; E61-G65 WeakPolarHBondContact O-CA 3.35Å; E61-G65 PolarHBondContact O-N 2.91Å; E61-H67 PolarHBondContact O-CE1 3.32Å; E61-K75 WeakPolarHBondContact OE2-CE 3.36Å; E61-K75 IonicContact OE2-NZ 3.62Å; E61-K75 PolarHBondContact OE2-NZ 3.45Å
62E93.4Very high92.9Very high94 Ų9446.7 Ų46.744%0.43925%0.247SC..Hα-helixtrans-66.8-31.5179.5-73.7174.3-174.200114Q58 F59Q58-E62 WeakPolarHBondContact CG-OE1 3.27Å; Q58-E62 PolarHBondContact NE2-OE1 2.93Å; Q58-E62 WeakPolarHBondContact O-CB 3.32Å; Q58-E62 WeakPolarHBondContact O-CG 3.4Å; Q58-E62 PolarHBondContact O-N 3.21Å; F59-E62 PolarHBondContact O-N 2.98Å
63V93.9Very high92.8Very high22 Ų2247.6 Ų47.613%0.13325%0.252CS..Hα-helixtrans-110.1-27.9-174-170.60000112.6F59 E61 P72 M117 V121F59-V63 HydrophobicContact CD1-CG2 4.4Å; F59-V63 HydrophobicContact CD2-CG2 3.91Å; F59-V63 HydrophobicContact CE1-CB 4.36Å; F59-V63 HydrophobicContact CE1-CG2 4.2Å; F59-V63 HydrophobicContact CE2-CG2 3.7Å; F59-V63 HydrophobicContact CG-CG2 4.27Å; F59-V63 HydrophobicContact CZ-CB 4.36Å; F59-V63 HydrophobicContact CZ-CG1 4.45Å; F59-V63 HydrophobicContact CZ-CG2 3.85Å; F59-V63 WeakPolarHBondContact O-CB 3.34Å; F59-V63 WeakPolarHBondContact O-CG2 3.29Å; F59-V63 PolarHBondContact O-N 3.05Å; E61-V63 PolarHBondContact O-N 3.35Å; V63-P72 HydrophobicContact CG1-CG 4.38Å; V63-M117 HydrophobicContact CG1-SD 3.96Å; V63-M117 HydrophobicContact CG2-CE 3.94Å; V63-M117 HydrophobicContact CG2-SD 3.77Å; V63-V121 HydrophobicContact CG1-CG2 4.41Å
64F94.2Very high92.6Very high1 Ų148.7 Ų48.70%0.00426%0.259CS..Hα-helixtrans-118.82.3-179.9-38.8-36.1000113.5F59 Q60 P71 P72 L73 K75 V121 F124 N249F59-F64 AromaticContact CE1-CZ 3.94Å; F59-F64 HydrophobicContact CE1-CZ 3.94Å; Q60-F64 HydrophobicContact CB-CD2 4.29Å; Q60-F64 HydrophobicContact CG-CD2 4.03Å; Q60-F64 CarbonylContact O-C 3.54Å; Q60-F64 VanDerWaalsContact O-CA 3.27Å; Q60-F64 WeakPolarHBondContact O-CA 3.46Å; Q60-F64 VanDerWaalsContact O-CB 3.23Å; Q60-F64 WeakPolarHBondContact O-CB 3.44Å; Q60-F64 PolarHBondContact O-N 2.84Å; F64-P71 HydrophobicContact CB-CB 4.43Å; F64-P72 HydrophobicContact CD1-CG 3.96Å; F64-P72 HydrophobicContact CE1-CG 3.75Å; F64-L73 HydrophobicContact CD1-CB 4.2Å; F64-L73 HydrophobicContact CD2-CB 4.3Å; F64-L73 HydrophobicContact CE1-CB 4.15Å; F64-L73 HydrophobicContact CE1-CD1 4.37Å; F64-L73 HydrophobicContact CE1-CG 4.48Å; F64-L73 HydrophobicContact CE2-CB 4.25Å; F64-L73 HydrophobicContact CE2-CD1 4.17Å; F64-L73 HydrophobicContact CG-CB 4.33Å; F64-L73 HydrophobicContact CZ-CB 4.19Å; F64-L73 HydrophobicContact CZ-CD1 3.84Å; F64-L73 HydrophobicContact CZ-CG 4.4Å; F64-K75 HydrophobicContact CB-CG 3.93Å; F64-V121 HydrophobicContact CE1-CG1 4.49Å; F64-V121 HydrophobicContact CE1-CG2 4.06Å; F64-V121 HydrophobicContact CZ-CG2 4.32Å; F64-F124 HydrophobicContact CE2-CB 3.99Å; F64-F124 AromaticContact CE2-CD1 3.79Å; F64-F124 HydrophobicContact CE2-CD1 3.79Å; F64-F124 HydrophobicContact CE2-CD2 4.17Å; F64-F124 HydrophobicContact CE2-CE1 4.29Å; F64-F124 AromaticContact CE2-CG 3.72Å; F64-F124 HydrophobicContact CE2-CG 3.72Å; F64-F124 HydrophobicContact CZ-CB 4.09Å; F64-F124 HydrophobicContact CZ-CD2 4.33Å; F64-F124 HydrophobicContact CZ-CG 4.11Å; F64-N249 PolarHBondContact O-ND2 2.9Å
65G90.5Very high92.5Very high1 Ų147.9 Ų47.91%0.0125%0.253CS..SBendtrans-72.9167.8-177.100000115.2Q60 E61 H67 V68Q60-G65 PolarHBondContact O-N 3.32Å; E61-G65 WeakPolarHBondContact O-CA 3.35Å; E61-G65 PolarHBondContact O-N 2.91Å; G65-H67 PolarHBondContact O-N 2.7Å; G65-V68 WeakPolarHBondContact O-CB 3.3Å; G65-V68 PolarHBondContact O-N 3.23Å
66R90.2Very high92.4Very high121 Ų12144.6 Ų44.646%0.45724%0.238SC..THydrogen-bonded Turntrans-53.4-20-178.9172167.2-168.7-63.93115.4Q247 Y248R66-Q247 VanDerWaalsContact CG-O 3.23Å; R66-Q247 WeakPolarHBondContact CG-O 3.45Å; R66-Y248 VanDerWaalsContact CD-CD1 3.49Å
67H89.1Confident92.1Very high130 Ų13045 Ų4560%0.60224%0.24SC*.THydrogen-bonded Turntrans-88.6-7.5179.963.5-91.6000113.6E61 G65E61-H67 PolarHBondContact O-CE1 3.32Å; G65-H67 PolarHBondContact O-N 2.7Å
68V91Very high91.9Very high43 Ų4345.5 Ų45.526%0.26124%0.243SC..  trans-89.1125.1177.1-176.30000109.5G65 N70 P71G65-V68 WeakPolarHBondContact O-CB 3.3Å; G65-V68 PolarHBondContact O-N 3.23Å; V68-N70 PolarHBondContact O-N 3.49Å; V68-P71 HydrophobicContact CB-CB 4.44Å; V68-P71 HydrophobicContact CG1-CB 4.26Å
69S85.4Confident91.6Very high132 Ų13246.3 Ų46.392%0.92325%0.245SC*.SBendtrans-76.8-16.8-172.654.80000115.3
70N88.2Confident91.5Very high136 Ų13646.6 Ų46.673%0.72725%0.248SC*.SBendtrans-152.175.1175.1-175.543.9000109.8V68V68-N70 PolarHBondContact O-N 3.49Å
71P91.5Very high91.4Very high37 Ų3746.5 Ų46.524%0.2425%0.247CC..  trans-69.6133.7-176.429-34.2000110.6F64 V68 L73 N249F64-P71 HydrophobicContact CB-CB 4.43Å; V68-P71 HydrophobicContact CB-CB 4.44Å; V68-P71 HydrophobicContact CG1-CB 4.26Å; P71-L73 VanDerWaalsContact C-N 3.26Å; P71-L73 PolarHBondContact O-N 3.45Å; P71-N249 WeakPolarHBondContact CB-ND2 3.2Å; P71-N249 HydrophobicContact CG-CB 4.3Å; P71-N249 VanDerWaalsContact CG-ND2 3.33Å; P71-N249 WeakPolarHBondContact CG-ND2 3.18Å
72P90.1Very high91.2Very high72 Ų7248.4 Ų48.447%0.46826%0.257SS..SBendtrans-73.7-13.7-175.330-37.9000114.2V63 F64 V121V63-P72 HydrophobicContact CG1-CG 4.38Å; F64-P72 HydrophobicContact CD1-CG 3.96Å; F64-P72 HydrophobicContact CE1-CG 3.75Å; P72-V121 HydrophobicContact CB-CG1 4.2Å; P72-V121 HydrophobicContact CG-CG1 4.11Å; P72-V121 HydrophobicContact CG-CG2 4.21Å
73L92.6Very high91.1Very high23 Ų2345.9 Ų45.912%0.1225%0.247CC..SBendtrans-143.1157.9177.7-68.8177.6000110.4F64 P71 V121 F124 M125 N249F64-L73 HydrophobicContact CD1-CB 4.2Å; F64-L73 HydrophobicContact CD2-CB 4.3Å; F64-L73 HydrophobicContact CE1-CB 4.15Å; F64-L73 HydrophobicContact CE1-CD1 4.37Å; F64-L73 HydrophobicContact CE1-CG 4.48Å; F64-L73 HydrophobicContact CE2-CB 4.25Å; F64-L73 HydrophobicContact CE2-CD1 4.17Å; F64-L73 HydrophobicContact CG-CB 4.33Å; F64-L73 HydrophobicContact CZ-CB 4.19Å; F64-L73 HydrophobicContact CZ-CD1 3.84Å; F64-L73 HydrophobicContact CZ-CG 4.4Å; P71-L73 VanDerWaalsContact C-N 3.26Å; P71-L73 PolarHBondContact O-N 3.45Å; L73-V121 HydrophobicContact CD1-CG1 3.87Å; L73-V121 HydrophobicContact CG-CG1 4.09Å; L73-F124 HydrophobicContact CD1-CB 3.6Å; L73-M125 HydrophobicContact CD1-CG 3.96Å; L73-M125 HydrophobicContact CD2-CE 3.87Å; L73-M125 HydrophobicContact CD2-CG 3.76Å; L73-M125 HydrophobicContact CG-CE 4.5Å; L73-M125 HydrophobicContact CG-CG 4.41Å; L73-N249 PolarHBondContact O-ND2 3.17Å
74T93.2Very high91Very high22 Ų2245.7 Ų45.714%0.13524%0.244CC..PPolyproline II helixtrans-80141.7165.4-52.60000110H163 L245 N249T74-H163 HydrophobicContact CG2-CB 4.37Å; T74-H163 PolarHBondContact OG1-ND1 3.49Å; T74-L245 HydrophobicContact CG2-CD1 4.31Å; T74-N249 WeakPolarHBondContact CA-OD1 3.31Å; T74-N249 VanDerWaalsContact CG2-O 3.29Å; T74-N249 WeakPolarHBondContact CG2-O 3.48Å
75K94.1Very high90.9Very high5 Ų552.7 Ų52.72%0.02228%0.275CS..BIsolated β-bridgetrans-60.8139.4177.3-65177.663.9-171.80110.9Q60 E61 F64 S211 N249 E250Q60-K75 HydrophobicContact CG-CB 4.07Å; Q60-K75 HydrophobicContact CG-CD 4.44Å; Q60-K75 HydrophobicContact CG-CG 3.82Å; E61-K75 WeakPolarHBondContact OE2-CE 3.36Å; E61-K75 IonicContact OE2-NZ 3.62Å; E61-K75 PolarHBondContact OE2-NZ 3.45Å; F64-K75 HydrophobicContact CB-CG 3.93Å; K75-S211 PolarHBondContact NZ-OG 3.41Å; K75-S211 VanDerWaalsContact NZ-OG 3.07Å; K75-N249 WeakPolarHBondContact CB-O 3.27Å; K75-N249 WeakPolarHBondContact CG-O 3.44Å; K75-N249 PolarHBondContact N-O 2.86Å; K75-E250 HydrophobicContact CB-CB 4.01Å; K75-E250 HydrophobicContact CB-CG 4.01Å; K75-E250 HydrophobicContact CD-CB 4.27Å; K75-E250 WeakPolarHBondContact CE-OE2 3.26Å; K75-E250 IonicContact NZ-OE2 2.68Å; K75-E250 PolarHBondContact NZ-OE2 3.23Å
76L92.8Very high90.8Very high4 Ų456.3 Ų56.32%0.02130%0.3CS..PPolyproline II helixtrans-71.9125.9166.6-62174000108.6Q60 F81 F124 I127 E128 L131 L137Q60-L76 PolarHBondContact NE2-O 2.94Å; L76-F81 HydrophobicContact CB-CE2 3.85Å; L76-F81 HydrophobicContact CB-CZ 4.31Å; L76-F81 HydrophobicContact CD1-CZ 4.27Å; L76-F124 HydrophobicContact CD1-CD1 3.95Å; L76-F124 HydrophobicContact CD1-CE1 4.14Å; L76-I127 HydrophobicContact CD1-CB 4.49Å; L76-I127 HydrophobicContact CD1-CG2 3.52Å; L76-E128 HydrophobicContact CD2-CB 4.06Å; L76-E128 HydrophobicContact CD2-CG 3.77Å; L76-L131 HydrophobicContact CD1-CD1 4.21Å; L76-L131 HydrophobicContact CD2-CD1 3.92Å; L76-L137 HydrophobicContact CD2-CD2 4.11Å
77P90.9Very high90.8Very high7 Ų751.8 Ų51.85%0.04529%0.291CS..PPolyproline II helixtrans-55.9139.1-177.6-28.536.2000113.2K79 C80 L137 E250P77-K79 HydrophobicContact CB-CG 3.88Å; P77-K79 PolarHBondContact O-N 3.45Å; P77-K79 VanDerWaalsContact O-N 3.12Å; P77-C80 WeakPolarHBondContact O-CB 3.43Å; P77-C80 PolarHBondContact O-N 3.04Å; P77-L137 HydrophobicContact CG-CD1 4.41Å; P77-E250 WeakPolarHBondContact CA-OE1 3.48Å
78M90.6Very high90.9Very high18 Ų1845.9 Ų45.99%0.08927%0.265CS..G310 helixtrans-55.6-33.3-177.3-173.965.1-165.700113.2F15 L57 C80 F81 L82 D210 E250F15-M78 HydrophobicContact CE2-CE 3.8Å; F15-M78 HydrophobicContact CZ-CE 3.7Å; L57-M78 HydrophobicContact CD1-CE 3.82Å; L57-M78 HydrophobicContact CD1-SD 3.84Å; L57-M78 HydrophobicContact CD2-SD 3.68Å; L57-M78 HydrophobicContact CG-SD 4.45Å; M78-C80 PolarHBondContact O-N 2.9Å; M78-C80 VanDerWaalsContact O-N 3.13Å; M78-F81 PolarHBondContact O-N 2.91Å; M78-F81 HydrophobicContact SD-CB 4.46Å; M78-L82 HydrophobicContact CE-CD1 4.38Å; M78-L82 HydrophobicContact CE-CD2 3.95Å; M78-L82 HydrophobicContact CE-CG 4.1Å; M78-L82 HydrophobicContact CG-CD1 4.27Å; M78-L82 PolarHBondContact O-N 3.32Å; M78-D210 HydrophobicContact CB-CB 3.57Å; M78-D210 HydrophobicContact CG-CB 4.47Å; M78-E250 PolarHBondContact N-OE1 2.93Å
79K88.6Confident91.1Very high91 Ų9144 Ų4440%0.39625%0.254SS..G310 helixtrans-52.7-29.1172.354.5-164.5162.1-157.90114.7P77 F81 L82 D210 N253P77-K79 HydrophobicContact CB-CG 3.88Å; P77-K79 PolarHBondContact O-N 3.45Å; P77-K79 VanDerWaalsContact O-N 3.12Å; K79-F81 VanDerWaalsContact C-N 3.31Å; K79-F81 PolarHBondContact O-N 2.86Å; K79-L82 PolarHBondContact O-N 3.44Å; K79-D210 WeakPolarHBondContact CB-OD2 3.48Å; K79-D210 VanDerWaalsContact CD-OD2 3.25Å; K79-D210 WeakPolarHBondContact CD-OD2 3.49Å; K79-D210 VanDerWaalsContact CG-OD2 3.26Å; K79-D210 WeakPolarHBondContact CG-OD2 3.49Å; K79-D210 PolarHBondContact N-OD2 2.79Å; K79-D210 IonicContact NZ-OD2 2.99Å; K79-N253 PolarHBondContact NZ-OD1 3.41Å
80C91.8Very high91.5Very high9 Ų937.7 Ų37.76%0.06121%0.21CC..G310 helixtrans-69.9-24174.3-62.80000113.6P77 M78 A89 L90 I93P77-C80 WeakPolarHBondContact O-CB 3.43Å; P77-C80 PolarHBondContact O-N 3.04Å; M78-C80 PolarHBondContact O-N 2.9Å; M78-C80 VanDerWaalsContact O-N 3.13Å; C80-A89 HydrophobicContact CB-CB 3.95Å; C80-A89 CarbonylContact O-C 3.1Å; C80-A89 WeakPolarHBondContact O-CB 3.29Å; C80-L90 PolarHBondContact O-N 3.42Å; C80-I93 HydrophobicContact CB-CD1 4.1Å
81F93.5Very high91.9Very high0 Ų031.2 Ų31.20%018%0.176CC..G310 helixtrans-91.2-7.6177.4-64.5-91.6000113.6V53 L56 L57 L76 M78 K79 I93V53-F81 HydrophobicContact CG1-CB 4.43Å; V53-F81 HydrophobicContact CG1-CD1 4.08Å; L56-F81 HydrophobicContact CB-CE1 4.27Å; L57-F81 HydrophobicContact CD1-CB 4.47Å; L57-F81 HydrophobicContact CD1-CG 4.45Å; L57-F81 HydrophobicContact CD2-CB 4.49Å; L57-F81 HydrophobicContact CD2-CD1 4.12Å; L57-F81 HydrophobicContact CD2-CD2 3.61Å; L57-F81 HydrophobicContact CD2-CE1 4.16Å; L57-F81 HydrophobicContact CD2-CE2 3.66Å; L57-F81 HydrophobicContact CD2-CG 3.83Å; L57-F81 HydrophobicContact CD2-CZ 3.94Å; L57-F81 HydrophobicContact CG-CD1 4.13Å; L57-F81 HydrophobicContact CG-CD2 4.48Å; L57-F81 HydrophobicContact CG-CE1 4.25Å; L57-F81 HydrophobicContact CG-CG 4.23Å; L57-F81 HydrophobicContact CG-CZ 4.47Å; L76-F81 HydrophobicContact CB-CE2 3.85Å; L76-F81 HydrophobicContact CB-CZ 4.31Å; L76-F81 HydrophobicContact CD1-CZ 4.27Å; M78-F81 PolarHBondContact O-N 2.91Å; M78-F81 HydrophobicContact SD-CB 4.46Å; K79-F81 VanDerWaalsContact C-N 3.31Å; K79-F81 PolarHBondContact O-N 2.86Å; F81-I93 HydrophobicContact CD1-CD1 3.96Å; F81-I93 HydrophobicContact CD2-CD1 4.43Å; F81-I93 HydrophobicContact CE1-CD1 3.96Å; F81-I93 HydrophobicContact CE1-CG2 4.13Å; F81-I93 HydrophobicContact CE2-CD1 4.43Å; F81-I93 HydrophobicContact CG-CD1 4.22Å; F81-I93 HydrophobicContact CZ-CD1 4.21Å
82L90.1Very high92.1Very high48 Ų4830.2 Ų30.225%0.25117%0.167SC..SBendtrans-104.1-0.1179-62.3176.1000113.2Y14 F15 M78 K79 F84Y14-L82 HydrophobicContact CE1-CD2 3.8Å; F15-L82 HydrophobicContact CZ-CD2 4.27Å; M78-L82 HydrophobicContact CE-CD1 4.38Å; M78-L82 HydrophobicContact CE-CD2 3.95Å; M78-L82 HydrophobicContact CE-CG 4.1Å; M78-L82 HydrophobicContact CG-CD1 4.27Å; M78-L82 PolarHBondContact O-N 3.32Å; K79-L82 PolarHBondContact O-N 3.44Å; L82-F84 HydrophobicContact CD2-CE2 4.46Å; L82-F84 WeakPolarHBondContact O-CD2 3.27Å; L82-F84 WeakPolarHBondContact O-CE2 3.49Å; L82-F84 PolarHBondContact O-N 3.34Å; L82-F84 VanDerWaalsContact O-N 3.16Å
83D91.5Very high92.4Very high42 Ų4226.8 Ų26.823%0.22515%0.145CC..  trans-86.478.9179.1-174.224.1000112.4K85 G88 A89 L90D83-K85 PolarHBondContact O-N 3.45Å; D83-K85 VanDerWaalsContact O-N 3.08Å; D83-K85 WeakPolarHBondContact OD1-CB 3.43Å; D83-K85 VanDerWaalsContact OD1-CD 3.23Å; D83-K85 WeakPolarHBondContact OD1-CD 3.34Å; D83-K85 VanDerWaalsContact OD1-CG 3.25Å; D83-K85 WeakPolarHBondContact OD1-CG 3.44Å; D83-K85 IonicContact OD1-NZ 3.32Å; D83-G88 WeakPolarHBondContact OD2-CA 3.19Å; D83-A89 HydrophobicContact CB-CB 4.16Å; D83-A89 PolarHBondContact OD2-N 2.93Å; D83-L90 WeakPolarHBondContact O-CB 3.33Å
84F92.3Very high92.6Very high17 Ų1725.7 Ų25.78%0.07514%0.14CC..  trans-71.59.1-179.9-60.2-80.6000115.1T20 Q23 F24 N26 V27 L82 L90T20-F84 HydrophobicContact CG2-CZ 4.18Å; Q23-F84 HydrophobicContact CB-CB 4.18Å; Q23-F84 HydrophobicContact CB-CD1 3.85Å; Q23-F84 HydrophobicContact CB-CD2 4.31Å; Q23-F84 HydrophobicContact CB-CE1 4.33Å; Q23-F84 HydrophobicContact CB-CG 3.85Å; Q23-F84 VanDerWaalsContact OE1-CD2 3.22Å; F24-F84 HydrophobicContact CD2-CE1 4.02Å; F24-F84 HydrophobicContact CE1-CE1 4.25Å; F24-F84 AromaticContact CE2-CE1 3.66Å; F24-F84 HydrophobicContact CE2-CE1 3.66Å; F24-F84 HydrophobicContact CE2-CZ 4.42Å; F24-F84 HydrophobicContact CG-CE1 4.46Å; F24-F84 AromaticContact CZ-CE1 3.79Å; F24-F84 HydrophobicContact CZ-CE1 3.79Å; N26-F84 WeakPolarHBondContact CB-O 3.46Å; V27-F84 HydrophobicContact CG2-CD1 4.49Å; L82-F84 HydrophobicContact CD2-CE2 4.46Å; L82-F84 WeakPolarHBondContact O-CD2 3.27Å; L82-F84 WeakPolarHBondContact O-CE2 3.49Å; L82-F84 PolarHBondContact O-N 3.34Å; L82-F84 VanDerWaalsContact O-N 3.16Å; F84-L90 HydrophobicContact CD1-CD2 3.53Å; F84-L90 HydrophobicContact CE1-CD2 3.56Å; F84-L90 HydrophobicContact CG-CD2 4.32Å; F84-L90 HydrophobicContact CZ-CD2 4.39Å
85K91.7Very high92.7Very high149 Ų14924.7 Ų24.765%0.64813%0.133SC*.SBendtrans-67.9150.3179.6-65.3172.6-166.2158.70111.2D83 G87 G88 C91D83-K85 PolarHBondContact O-N 3.45Å; D83-K85 VanDerWaalsContact O-N 3.08Å; D83-K85 WeakPolarHBondContact OD1-CB 3.43Å; D83-K85 VanDerWaalsContact OD1-CD 3.23Å; D83-K85 WeakPolarHBondContact OD1-CD 3.34Å; D83-K85 VanDerWaalsContact OD1-CG 3.25Å; D83-K85 WeakPolarHBondContact OD1-CG 3.44Å; D83-K85 IonicContact OD1-NZ 3.32Å; K85-G87 PolarHBondContact O-N 2.92Å; K85-G87 VanDerWaalsContact O-N 3.12Å; K85-G88 PolarHBondContact O-N 2.87Å; K85-C91 PolarHBondContact O-SG 3.41Å
86S88.8Confident92.8Very high77 Ų7724.7 Ų24.754%0.53814%0.135SC..THydrogen-bonded Turntrans-64.4111.2172.3-75.80000110.2G88S86-G88 VanDerWaalsContact C-N 3.35Å
87G88.9Confident92.9Very high25 Ų2524.5 Ų24.526%0.25813%0.134SC..THydrogen-bonded Turntrans81.112.5-171.300000114.4W30 K85 C91 H92W30-G87 VanDerWaalsContact CD1-N 3.31Å; K85-G87 PolarHBondContact O-N 2.92Å; K85-G87 VanDerWaalsContact O-N 3.12Å; G87-C91 PolarHBondContact N-SG 3.23Å; G87-C91 VanDerWaalsContact N-SG 3.43Å; G87-H92 PolarHBondContact O-CD2 3.38Å
88G91.9Very high93.1Very high6 Ų625 Ų256%0.06214%0.135CC..SBendtrans-71.1175.9171.600000113.3D83 K85 S86 L90 C91 H92D83-G88 WeakPolarHBondContact OD2-CA 3.19Å; K85-G88 PolarHBondContact O-N 2.87Å; S86-G88 VanDerWaalsContact C-N 3.35Å; G88-L90 VanDerWaalsContact C-N 3.27Å; G88-L90 PolarHBondContact O-N 3.49Å; G88-C91 VanDerWaalsContact O-CB 3.25Å; G88-C91 WeakPolarHBondContact O-CB 3.33Å; G88-C91 PolarHBondContact O-N 3.24Å; G88-H92 PolarHBondContact O-CD2 3.1Å; G88-H92 PolarHBondContact O-N 3.47Å
89A93.9Very high93.3Very high4 Ų428 Ų283%0.03315%0.147CC..Hα-helixtrans-53-43-177.200000112.7C80 D83 C91 H92 I93 L131 C136C80-A89 HydrophobicContact CB-CB 3.95Å; C80-A89 CarbonylContact O-C 3.1Å; C80-A89 WeakPolarHBondContact O-CB 3.29Å; D83-A89 HydrophobicContact CB-CB 4.16Å; D83-A89 PolarHBondContact OD2-N 2.93Å; A89-C91 VanDerWaalsContact C-N 3.31Å; A89-C91 PolarHBondContact O-N 3.34Å; A89-H92 PolarHBondContact O-N 2.93Å; A89-H92 VanDerWaalsContact O-N 3.1Å; A89-I93 WeakPolarHBondContact O-CG1 3.32Å; A89-I93 PolarHBondContact O-N 2.91Å; A89-L131 HydrophobicContact CB-CD2 3.8Å; A89-L131 WeakPolarHBondContact O-CD2 3.4Å; A89-C136 HydrophobicContact CB-CB 3.94Å
90L95.7Very high93.7Very high0 Ų024.2 Ų24.20%013%0.131CC..Hα-helixtrans-62.1-35.7178.3179.458.6000113F24 V27 V53 C80 D83 F84 G88 H92 I93 L94F24-L90 HydrophobicContact CD1-CD2 4.45Å; F24-L90 HydrophobicContact CE1-CD2 3.89Å; F24-L90 HydrophobicContact CZ-CD2 4.36Å; V27-L90 HydrophobicContact CG2-CD2 4.1Å; V27-L90 HydrophobicContact CG2-CG 4.4Å; V53-L90 HydrophobicContact CG2-CD1 3.6Å; C80-L90 PolarHBondContact O-N 3.42Å; D83-L90 WeakPolarHBondContact O-CB 3.33Å; F84-L90 HydrophobicContact CD1-CD2 3.53Å; F84-L90 HydrophobicContact CE1-CD2 3.56Å; F84-L90 HydrophobicContact CG-CD2 4.32Å; F84-L90 HydrophobicContact CZ-CD2 4.39Å; G88-L90 VanDerWaalsContact C-N 3.27Å; G88-L90 PolarHBondContact O-N 3.49Å; L90-H92 VanDerWaalsContact C-N 3.34Å; L90-I93 PolarHBondContact O-N 3.46Å; L90-L94 HydrophobicContact CD1-CD1 3.72Å; L90-L94 HydrophobicContact CD1-CG 4.15Å; L90-L94 HydrophobicContact CG-CD1 3.95Å; L90-L94 WeakPolarHBondContact O-CG 3.49Å; L90-L94 PolarHBondContact O-N 2.89Å; L90-L94 VanDerWaalsContact O-N 3.08Å
91C95.3Very high93.8Very high0 Ų024.9 Ų24.90%013%0.133CC..Hα-helixtrans-61.8-43.3173.9-71.50000111.3W30 K85 G87 G88 A89 A95W30-C91 HydrophobicContact CD2-CB 3.91Å; W30-C91 HydrophobicContact CE3-CB 3.55Å; W30-C91 HydrophobicContact CH2-CB 4.09Å; W30-C91 HydrophobicContact CZ2-CB 4.44Å; W30-C91 HydrophobicContact CZ3-CB 3.65Å; K85-C91 PolarHBondContact O-SG 3.41Å; G87-C91 PolarHBondContact N-SG 3.23Å; G87-C91 VanDerWaalsContact N-SG 3.43Å; G88-C91 VanDerWaalsContact O-CB 3.25Å; G88-C91 WeakPolarHBondContact O-CB 3.33Å; G88-C91 PolarHBondContact O-N 3.24Å; A89-C91 VanDerWaalsContact C-N 3.31Å; A89-C91 PolarHBondContact O-N 3.34Å; C91-A95 WeakPolarHBondContact O-CB 3.37Å; C91-A95 PolarHBondContact O-N 3.04Å
92H95.5Very high93.7Very high15 Ų1527.5 Ų27.57%0.06915%0.151CC..Hα-helixtrans-74.4-30.6-179.7-74.8-84.1000113.6W30 G87 G88 A89 L90 A96 S130 L131 N134W30-H92 AromaticContact CH2-CE1 3.78Å; W30-H92 AromaticContact CH2-NE2 3.8Å; W30-H92 AromaticContact CZ2-CE1 3.9Å; W30-H92 AromaticContact CZ2-NE2 3.66Å; G87-H92 PolarHBondContact O-CD2 3.38Å; G88-H92 PolarHBondContact O-CD2 3.1Å; G88-H92 PolarHBondContact O-N 3.47Å; A89-H92 PolarHBondContact O-N 2.93Å; A89-H92 VanDerWaalsContact O-N 3.1Å; L90-H92 VanDerWaalsContact C-N 3.34Å; H92-A96 WeakPolarHBondContact O-CB 3.47Å; H92-A96 PolarHBondContact O-N 2.82Å; H92-A96 VanDerWaalsContact O-N 3.15Å; H92-S130 PolarHBondContact O-OG 3.3Å; H92-L131 HydrophobicContact CB-CD2 4.29Å; H92-N134 PolarHBondContact CE1-OD1 3.26Å; H92-N134 VanDerWaalsContact ND1-CG 3.3Å; H92-N134 PolarHBondContact ND1-ND2 3.43Å
93I96.9Very high93.9Very high1 Ų129.9 Ų29.91%0.00516%0.164CC..Hα-helixtrans-61.1-57169.4-68.8167.1000110.2L56 C80 F81 A89 L90 A95 A96 A97 I127 L131L56-I93 HydrophobicContact CD1-CG2 4.09Å; C80-I93 HydrophobicContact CB-CD1 4.1Å; F81-I93 HydrophobicContact CD1-CD1 3.96Å; F81-I93 HydrophobicContact CD2-CD1 4.43Å; F81-I93 HydrophobicContact CE1-CD1 3.96Å; F81-I93 HydrophobicContact CE1-CG2 4.13Å; F81-I93 HydrophobicContact CE2-CD1 4.43Å; F81-I93 HydrophobicContact CG-CD1 4.22Å; F81-I93 HydrophobicContact CZ-CD1 4.21Å; A89-I93 WeakPolarHBondContact O-CG1 3.32Å; A89-I93 PolarHBondContact O-N 2.91Å; L90-I93 PolarHBondContact O-N 3.46Å; I93-A95 PolarHBondContact O-N 3.29Å; I93-A96 PolarHBondContact O-N 3.39Å; I93-A97 PolarHBondContact O-N 2.82Å; I93-I127 HydrophobicContact CB-CG2 4.16Å; I93-I127 HydrophobicContact CG1-CG2 3.77Å; I93-I127 HydrophobicContact CG2-CD1 4.44Å; I93-I127 HydrophobicContact CG2-CG2 4.09Å; I93-L131 HydrophobicContact CD1-CD1 4.26Å; I93-L131 HydrophobicContact CG1-CD1 3.88Å; I93-L131 HydrophobicContact CG1-CD2 4.05Å; I93-L131 HydrophobicContact CG1-CG 4.19Å
94L96.3Very high94Very high0 Ų030.8 Ų30.80%017%0.167CC..Hα-helixtrans-66.8-37.6-175.2-70.4163.9000111.5F24 V27 L31 L49 L52 V53 L90 A96 A97 Y98F24-L94 HydrophobicContact CE1-CD1 4.36Å; V27-L94 HydrophobicContact CG1-CD1 3.61Å; L31-L94 HydrophobicContact CD1-CB 4.02Å; L49-L94 HydrophobicContact CD2-CD1 4.32Å; L49-L94 HydrophobicContact CD2-CD2 4.41Å; L52-L94 HydrophobicContact CD2-CD2 3.67Å; L52-L94 HydrophobicContact CG-CD2 4.02Å; V53-L94 HydrophobicContact CG2-CD1 4.41Å; V53-L94 HydrophobicContact CG2-CD2 4.3Å; L90-L94 HydrophobicContact CD1-CD1 3.72Å; L90-L94 HydrophobicContact CD1-CG 4.15Å; L90-L94 HydrophobicContact CG-CD1 3.95Å; L90-L94 WeakPolarHBondContact O-CG 3.49Å; L90-L94 PolarHBondContact O-N 2.89Å; L90-L94 VanDerWaalsContact O-N 3.08Å; L94-A96 PolarHBondContact O-N 3.22Å; L94-A97 PolarHBondContact O-N 3.17Å; L94-Y98 VanDerWaalsContact O-CD2 3.31Å; L94-Y98 WeakPolarHBondContact O-CD2 3.46Å; L94-Y98 PolarHBondContact O-N 2.95Å
95A94.9Very high93.9Very high0 Ų033.1 Ų33.10%020%0.195CC..Hα-helixtrans-60.5-43.2173.900000113.1W30 L31 Y35 C91 I93 K99W30-A95 HydrophobicContact CZ3-CB 4.03Å; L31-A95 HydrophobicContact CD2-CB 3.76Å; Y35-A95 HydrophobicContact CD1-CB 3.85Å; Y35-A95 HydrophobicContact CD2-CB 3.68Å; Y35-A95 HydrophobicContact CE1-CB 3.78Å; Y35-A95 HydrophobicContact CE2-CB 3.61Å; Y35-A95 HydrophobicContact CG-CB 3.83Å; C91-A95 WeakPolarHBondContact O-CB 3.37Å; C91-A95 PolarHBondContact O-N 3.04Å; I93-A95 PolarHBondContact O-N 3.29Å; A95-K99 WeakPolarHBondContact O-CB 3.47Å; A95-K99 PolarHBondContact O-N 3.04Å
96A96.3Very high93.9Very high6 Ų627.3 Ų27.35%0.0517%0.169CC..Hα-helixtrans-65.7-41.9175.400000111.6H92 I93 L94 K99 F100 I127H92-A96 WeakPolarHBondContact O-CB 3.47Å; H92-A96 PolarHBondContact O-N 2.82Å; H92-A96 VanDerWaalsContact O-N 3.15Å; I93-A96 PolarHBondContact O-N 3.39Å; L94-A96 PolarHBondContact O-N 3.22Å; A96-K99 PolarHBondContact O-N 2.91Å; A96-F100 WeakPolarHBondContact O-CB 3.5Å; A96-F100 PolarHBondContact O-N 3.42Å; A96-I127 HydrophobicContact CB-CB 4.39Å; A96-I127 HydrophobicContact CB-CG1 3.75Å
97A96.3Very high93.9Very high0 Ų034.7 Ų34.70%019%0.185CC..Hα-helixtrans-63.7-47.317700000113I93 L94 F100 K101 F109 M123 I127I93-A97 PolarHBondContact O-N 2.82Å; L94-A97 PolarHBondContact O-N 3.17Å; A97-F100 PolarHBondContact O-N 2.93Å; A97-K101 WeakPolarHBondContact O-CB 3.48Å; A97-K101 PolarHBondContact O-N 3.3Å; A97-F109 HydrophobicContact CB-CE1 4.07Å; A97-F109 HydrophobicContact CB-CZ 4.13Å; A97-M123 HydrophobicContact CB-SD 4.03Å; A97-I127 HydrophobicContact CB-CD1 4.34Å
98Y95.4Very high94Very high17 Ų1741.9 Ų41.97%0.06721%0.205CC..Hα-helixtrans-67.7-37.4177.2-84.9-76.5000112.7I39 L49 L52 L94 K101 S102 F109I39-Y98 HydrophobicContact CG2-CD1 3.7Å; I39-Y98 HydrophobicContact CG2-CD2 4.36Å; I39-Y98 HydrophobicContact CG2-CE1 4.35Å; I39-Y98 HydrophobicContact CG2-CG 3.71Å; L49-Y98 HydrophobicContact CD2-CE2 3.66Å; L52-Y98 HydrophobicContact CD2-CD2 4.38Å; L52-Y98 HydrophobicContact CD2-CE2 3.63Å; L94-Y98 VanDerWaalsContact O-CD2 3.31Å; L94-Y98 WeakPolarHBondContact O-CD2 3.46Å; L94-Y98 PolarHBondContact O-N 2.95Å; Y98-K101 HydrophobicContact CD1-CD 4.27Å; Y98-K101 HydrophobicContact CE1-CD 4.48Å; Y98-S102 WeakPolarHBondContact O-CB 3.46Å; Y98-S102 PolarHBondContact O-N 2.82Å; Y98-F109 HydrophobicContact CD1-CE2 4.19Å; Y98-F109 HydrophobicContact CD1-CZ 4.25Å; Y98-F109 AromaticContact CE1-CE2 3.85Å; Y98-F109 HydrophobicContact CE1-CE2 3.85Å; Y98-F109 HydrophobicContact CE1-CZ 4.36Å; Y98-F109 HydrophobicContact CE2-CE2 4.42Å; Y98-F109 HydrophobicContact CG-CZ 4.36Å; Y98-F109 AromaticContact CZ-CE2 3.96Å
99K94.8Very high94Very high81 Ų8142.8 Ų42.835%0.35221%0.207SC..Hα-helixtrans-58.5-51.2170172.3176.4175-163.90110.6Y38 A95 A96 K101 S102 D103Y38-K99 HydrophobicContact CD1-CB 4.36Å; Y38-K99 HydrophobicContact CD1-CG 4.39Å; Y38-K99 HydrophobicContact CD2-CB 4.35Å; Y38-K99 HydrophobicContact CE1-CB 4.25Å; Y38-K99 HydrophobicContact CE1-CG 3.81Å; Y38-K99 HydrophobicContact CE2-CB 4.24Å; Y38-K99 HydrophobicContact CE2-CD 4.32Å; Y38-K99 HydrophobicContact CE2-CG 4.15Å; Y38-K99 HydrophobicContact CG-CB 4.37Å; A95-K99 WeakPolarHBondContact O-CB 3.47Å; A95-K99 PolarHBondContact O-N 3.04Å; A96-K99 PolarHBondContact O-N 2.91Å; K99-K101 PolarHBondContact O-N 2.96Å; K99-S102 WeakPolarHBondContact O-CB 3.36Å; K99-S102 PolarHBondContact O-N 3.48Å; K99-S102 VanDerWaalsContact O-N 3.12Å; K99-D103 WeakPolarHBondContact CE-OD2 3.4Å; K99-D103 VanDerWaalsContact CG-OD2 3.24Å; K99-D103 WeakPolarHBondContact CG-OD2 3.36Å; K99-D103 WeakPolarHBondContact O-CB 3.42Å; K99-D103 VanDerWaalsContact O-CG 3.28Å; K99-D103 PolarHBondContact O-N 3.29Å
100F95.4Very high93.9Very high12 Ų1244 Ų445%0.05321%0.213CC..Hα-helixtrans-63.1-42.6-178.5-167.2-89.1000112.3A96 A97 S102 D103 Q104 W106 R119 E122 M123A96-F100 WeakPolarHBondContact O-CB 3.5Å; A96-F100 PolarHBondContact O-N 3.42Å; A97-F100 PolarHBondContact O-N 2.93Å; F100-S102 VanDerWaalsContact C-N 3.28Å; F100-S102 PolarHBondContact O-N 2.8Å; F100-D103 PolarHBondContact O-N 2.86Å; F100-Q104 HydrophobicContact CD1-CG 3.78Å; F100-Q104 HydrophobicContact CE1-CG 3.51Å; F100-Q104 HydrophobicContact CE2-CG 4.43Å; F100-Q104 HydrophobicContact CG-CG 4.37Å; F100-Q104 HydrophobicContact CZ-CG 3.87Å; F100-Q104 VanDerWaalsContact CZ-NE2 3.35Å; F100-Q104 WeakPolarHBondContact O-CB 2.77Å; F100-Q104 VanDerWaalsContact O-CG 3.27Å; F100-Q104 WeakPolarHBondContact O-CG 3.44Å; F100-Q104 PolarHBondContact O-N 2.86Å; F100-W106 HydrophobicContact CD1-CH2 4.45Å; F100-W106 HydrophobicContact CD1-CZ3 4.39Å; F100-W106 AromaticContact CE1-CH2 3.99Å; F100-W106 HydrophobicContact CE1-CH2 3.99Å; F100-W106 HydrophobicContact CE1-CZ2 4.45Å; F100-W106 HydrophobicContact CE1-CZ3 4.38Å; F100-R119 HydrophobicContact CE1-CB 4.44Å; F100-R119 WeakPolarHBondContact CE1-O 3.4Å; F100-R119 VanDerWaalsContact CZ-O 3.26Å; F100-R119 WeakPolarHBondContact CZ-O 3.44Å; F100-E122 HydrophobicContact CE2-CB 4.27Å; F100-E122 HydrophobicContact CE2-CG 3.85Å; F100-E122 HydrophobicContact CZ-CB 3.96Å; F100-E122 HydrophobicContact CZ-CG 3.96Å; F100-E122 WeakPolarHBondContact CZ-OE2 3.48Å; F100-M123 HydrophobicContact CB-CB 4.48Å; F100-M123 HydrophobicContact CB-CG 3.81Å; F100-M123 HydrophobicContact CB-SD 4.16Å; F100-M123 HydrophobicContact CD1-CB 3.55Å; F100-M123 HydrophobicContact CD1-CG 3.68Å; F100-M123 HydrophobicContact CD1-SD 3.9Å; F100-M123 HydrophobicContact CD2-CB 4.32Å; F100-M123 HydrophobicContact CD2-CG 4.49Å; F100-M123 HydrophobicContact CE1-CB 3.71Å; F100-M123 HydrophobicContact CE1-CG 4.36Å; F100-M123 HydrophobicContact CE2-CB 4.47Å; F100-M123 HydrophobicContact CG-CB 3.87Å; F100-M123 HydrophobicContact CG-CG 3.75Å; F100-M123 HydrophobicContact CG-SD 4.33Å; F100-M123 HydrophobicContact CZ-CB 4.18Å
101K93.9Very high93.8Very high23 Ų2344.8 Ų44.810%0.122%0.216CC..Hα-helixtrans-51.9-46.2170.5178.1-172.5-170.3-90.80111.6E42 A97 Y98 K99 G105 W106 R107 F109E42-K101 IonicContact OE2-NZ 2.7Å; E42-K101 PolarHBondContact OE2-NZ 3.43Å; A97-K101 WeakPolarHBondContact O-CB 3.48Å; A97-K101 PolarHBondContact O-N 3.3Å; Y98-K101 HydrophobicContact CD1-CD 4.27Å; Y98-K101 HydrophobicContact CE1-CD 4.48Å; K99-K101 PolarHBondContact O-N 2.96Å; K101-G105 PolarHBondContact O-N 3.41Å; K101-W106 WeakPolarHBondContact CE-O 3.41Å; K101-W106 HydrophobicContact CG-CB 3.89Å; K101-W106 VanDerWaalsContact CG-O 3.25Å; K101-W106 WeakPolarHBondContact CG-O 3.39Å; K101-W106 PolarHBondContact NZ-O 3.39Å; K101-W106 PolarHBondContact O-N 3.47Å; K101-R107 VanDerWaalsContact CE-O 3.29Å; K101-R107 WeakPolarHBondContact CE-O 3.21Å; K101-R107 PolarHBondContact NZ-O 2.65Å; K101-F109 HydrophobicContact CB-CE1 3.84Å; K101-F109 HydrophobicContact CB-CZ 3.9Å; K101-F109 HydrophobicContact CD-CD2 4.05Å; K101-F109 HydrophobicContact CD-CE1 4.26Å; K101-F109 HydrophobicContact CD-CE2 3.63Å; K101-F109 HydrophobicContact CD-CZ 3.76Å; K101-F109 HydrophobicContact CG-CE1 4.41Å; K101-F109 HydrophobicContact CG-CZ 4.33Å
102S93.2Very high93.6Very high55 Ų5553.1 Ų53.139%0.38526%0.255SS..Hα-helixtrans-70.4-45.9179.8-174.50000112.4Y98 K99 F100 Q104 G105Y98-S102 WeakPolarHBondContact O-CB 3.46Å; Y98-S102 PolarHBondContact O-N 2.82Å; K99-S102 WeakPolarHBondContact O-CB 3.36Å; K99-S102 PolarHBondContact O-N 3.48Å; K99-S102 VanDerWaalsContact O-N 3.12Å; F100-S102 VanDerWaalsContact C-N 3.28Å; F100-S102 PolarHBondContact O-N 2.8Å; S102-Q104 PolarHBondContact O-N 2.89Å; S102-G105 PolarHBondContact O-N 3.33Å
103D93.6Very high93.3Very high97 Ų9754.8 Ų54.852%0.51927%0.265SS..Hα-helixtrans-66.4-27.9-178.3-67-12.9000111.3Y38 K99 F100Y38-D103 WeakPolarHBondContact CE1-OD1 3.35Å; K99-D103 WeakPolarHBondContact CE-OD2 3.4Å; K99-D103 VanDerWaalsContact CG-OD2 3.24Å; K99-D103 WeakPolarHBondContact CG-OD2 3.36Å; K99-D103 WeakPolarHBondContact O-CB 3.42Å; K99-D103 VanDerWaalsContact O-CG 3.28Å; K99-D103 PolarHBondContact O-N 3.29Å; F100-D103 PolarHBondContact O-N 2.86Å
104Q92.5Very high92.9Very high62 Ų6259.6 Ų59.629%0.2930%0.296SS..THydrogen-bonded Turntrans-90.31.6172-60.3-72.6-18.600114.2F100 S102 W106F100-Q104 HydrophobicContact CD1-CG 3.78Å; F100-Q104 HydrophobicContact CE1-CG 3.51Å; F100-Q104 HydrophobicContact CE2-CG 4.43Å; F100-Q104 HydrophobicContact CG-CG 4.37Å; F100-Q104 HydrophobicContact CZ-CG 3.87Å; F100-Q104 VanDerWaalsContact CZ-NE2 3.35Å; F100-Q104 WeakPolarHBondContact O-CB 2.77Å; F100-Q104 VanDerWaalsContact O-CG 3.27Å; F100-Q104 WeakPolarHBondContact O-CG 3.44Å; F100-Q104 PolarHBondContact O-N 2.86Å; S102-Q104 PolarHBondContact O-N 2.89Å; Q104-W106 VanDerWaalsContact C-N 3.32Å; Q104-W106 HydrophobicContact CB-CD2 4.1Å; Q104-W106 HydrophobicContact CB-CG 4.1Å; Q104-W106 HydrophobicContact CB-CZ2 4.37Å; Q104-W106 HydrophobicContact CG-CZ2 4.44Å; Q104-W106 PolarHBondContact O-N 3.46Å
105G90.8Very high92.6Very high65 Ų6564.5 Ų64.567%0.6733%0.331SS*.THydrogen-bonded Turntrans66.623.3179.100000115.6K101 S102K101-G105 PolarHBondContact O-N 3.41Å; S102-G105 PolarHBondContact O-N 3.33Å
106W92.5Very high92.5Very high28 Ų2867.1 Ų67.111%0.10634%0.34CS..  trans-79.7120.9-173.4-70-1.2000113.2F100 K101 Q104 R108 R116 R119 N120F100-W106 HydrophobicContact CD1-CH2 4.45Å; F100-W106 HydrophobicContact CD1-CZ3 4.39Å; F100-W106 AromaticContact CE1-CH2 3.99Å; F100-W106 HydrophobicContact CE1-CH2 3.99Å; F100-W106 HydrophobicContact CE1-CZ2 4.45Å; F100-W106 HydrophobicContact CE1-CZ3 4.38Å; K101-W106 WeakPolarHBondContact CE-O 3.41Å; K101-W106 HydrophobicContact CG-CB 3.89Å; K101-W106 VanDerWaalsContact CG-O 3.25Å; K101-W106 WeakPolarHBondContact CG-O 3.39Å; K101-W106 PolarHBondContact NZ-O 3.39Å; K101-W106 PolarHBondContact O-N 3.47Å; Q104-W106 VanDerWaalsContact C-N 3.32Å; Q104-W106 HydrophobicContact CB-CD2 4.1Å; Q104-W106 HydrophobicContact CB-CG 4.1Å; Q104-W106 HydrophobicContact CB-CZ2 4.37Å; Q104-W106 HydrophobicContact CG-CZ2 4.44Å; Q104-W106 PolarHBondContact O-N 3.46Å; W106-R108 PolarHBondContact O-N 2.88Å; W106-R116 HydrophobicContact CZ2-CG 4.38Å; W106-R119 HydrophobicContact CH2-CB 3.83Å; W106-R119 HydrophobicContact CZ2-CB 3.64Å; W106-R119 HydrophobicContact CZ2-CG 4.37Å; W106-N120 VanDerWaalsContact CH2-OD1 3.23Å; W106-N120 WeakPolarHBondContact CH2-OD1 3.48Å; W106-N120 WeakPolarHBondContact CZ3-OD1 3.49Å
107R88.6Confident92.3Very high231 Ų23169.8 Ų69.887%0.87235%0.352SS*.SBendtrans-58.7-45.9173.3-68-171.2-179.5-167.8-0.2112.6K101K101-R107 VanDerWaalsContact CE-O 3.29Å; K101-R107 WeakPolarHBondContact CE-O 3.21Å; K101-R107 PolarHBondContact NZ-O 2.65Å
108R89.7Confident92.1Very high176 Ų17676.4 Ų76.466%0.66439%0.388SS*.SBendtrans-136.9156.1175.265.7176.6-173.5-131.90.9111.1W106 R116W106-R108 PolarHBondContact O-N 2.88Å; R108-R116 PolarHBondContact O-NH1 2.86Å
109F93.2Very high92.1Very high25 Ų2581 Ų8111%0.1141%0.405CS..  trans-62.3146.7162.7-64.2-78000109.7L52 A97 Y98 K101 F111 M123L52-F109 HydrophobicContact CD1-CB 4.23Å; L52-F109 HydrophobicContact CD1-CD1 4.05Å; L52-F109 HydrophobicContact CD1-CD2 3.55Å; L52-F109 HydrophobicContact CD1-CE1 4.28Å; L52-F109 HydrophobicContact CD1-CE2 3.81Å; L52-F109 HydrophobicContact CD1-CG 3.68Å; L52-F109 HydrophobicContact CD1-CZ 4.16Å; L52-F109 HydrophobicContact CD2-CD2 3.93Å; L52-F109 HydrophobicContact CD2-CE2 3.35Å; L52-F109 HydrophobicContact CD2-CZ 3.72Å; L52-F109 HydrophobicContact CG-CD2 4.36Å; L52-F109 HydrophobicContact CG-CE2 4.23Å; A97-F109 HydrophobicContact CB-CE1 4.07Å; A97-F109 HydrophobicContact CB-CZ 4.13Å; Y98-F109 HydrophobicContact CD1-CE2 4.19Å; Y98-F109 HydrophobicContact CD1-CZ 4.25Å; Y98-F109 AromaticContact CE1-CE2 3.85Å; Y98-F109 HydrophobicContact CE1-CE2 3.85Å; Y98-F109 HydrophobicContact CE1-CZ 4.36Å; Y98-F109 HydrophobicContact CE2-CE2 4.42Å; Y98-F109 HydrophobicContact CG-CZ 4.36Å; Y98-F109 AromaticContact CZ-CE2 3.96Å; K101-F109 HydrophobicContact CB-CE1 3.84Å; K101-F109 HydrophobicContact CB-CZ 3.9Å; K101-F109 HydrophobicContact CD-CD2 4.05Å; K101-F109 HydrophobicContact CD-CE1 4.26Å; K101-F109 HydrophobicContact CD-CE2 3.63Å; K101-F109 HydrophobicContact CD-CZ 3.76Å; K101-F109 HydrophobicContact CG-CE1 4.41Å; K101-F109 HydrophobicContact CG-CZ 4.33Å; F109-F111 HydrophobicContact CB-CD2 4.4Å; F109-F111 HydrophobicContact CB-CE2 3.77Å; F109-F111 HydrophobicContact CB-CZ 4.4Å; F109-F111 HydrophobicContact CD1-CE2 4.42Å; F109-F111 HydrophobicContact CD1-CZ 4.23Å; F109-F111 HydrophobicContact CG-CE2 4.33Å; F109-M123 HydrophobicContact CD1-CE 4.47Å; F109-M123 HydrophobicContact CD1-SD 4.43Å; F109-M123 HydrophobicContact CE1-CE 4.49Å; F109-M123 HydrophobicContact CE1-SD 4Å
110D91.8Very high92.1Very high30 Ų3077.1 Ų77.116%0.1639%0.388CS..  trans-157.797.5-176.8-173.7-7.6000108N113 N120D110-N113 VanDerWaalsContact CG-CB 3.41Å; D110-N113 WeakPolarHBondContact OD1-CB 3.4Å; D110-N113 PolarHBondContact OD1-N 2.86Å; D110-N113 WeakPolarHBondContact OD2-CB 3.36Å; D110-N113 PolarHBondContact OD2-ND2 3.37Å; D110-N120 PolarHBondContact O-ND2 3.36Å
111F93.8Very high92.1Very high16 Ų1677.3 Ų77.37%0.0739%0.39CS..SBendtrans-92.3-22.9-174.7-66.5-80.9000113L52 Q55 L56 F59 F109 M123 F124L52-F111 HydrophobicContact CD1-CE2 3.87Å; L52-F111 HydrophobicContact CD1-CZ 4.08Å; Q55-F111 HydrophobicContact CB-CD2 3.68Å; Q55-F111 HydrophobicContact CB-CE2 3.72Å; Q55-F111 HydrophobicContact CG-CD2 4.44Å; L56-F111 HydrophobicContact CD2-CE1 3.77Å; L56-F111 HydrophobicContact CD2-CZ 3.58Å; L56-F111 HydrophobicContact CG-CZ 3.99Å; F59-F111 HydrophobicContact CB-CB 4.22Å; F59-F111 HydrophobicContact CB-CD1 3.8Å; F59-F111 HydrophobicContact CB-CG 4.22Å; F59-F111 HydrophobicContact CD1-CD1 4.3Å; F59-F111 HydrophobicContact CD2-CB 3.88Å; F59-F111 AromaticContact CD2-CD1 3.8Å; F59-F111 HydrophobicContact CD2-CD1 3.8Å; F59-F111 HydrophobicContact CD2-CG 4.32Å; F59-F111 HydrophobicContact CE2-CD1 4.44Å; F59-F111 HydrophobicContact CG-CB 4.36Å; F59-F111 AromaticContact CG-CD1 3.7Å; F59-F111 HydrophobicContact CG-CD1 3.7Å; F59-F111 HydrophobicContact CG-CE1 4.49Å; F59-F111 HydrophobicContact CG-CG 4.42Å; F109-F111 HydrophobicContact CB-CD2 4.4Å; F109-F111 HydrophobicContact CB-CE2 3.77Å; F109-F111 HydrophobicContact CB-CZ 4.4Å; F109-F111 HydrophobicContact CD1-CE2 4.42Å; F109-F111 HydrophobicContact CD1-CZ 4.23Å; F109-F111 HydrophobicContact CG-CE2 4.33Å; F111-M123 HydrophobicContact CE1-CE 3.53Å; F111-M123 HydrophobicContact CZ-CE 3.77Å; F111-F124 HydrophobicContact CE1-CE2 4.48Å
112Q90.3Very high92.2Very high175 Ų17579.5 Ų79.582%0.81840%0.401SS*.SBendtrans-82.9-22.7-177.5-67.9179-2200112.8P114Q112-P114 VanDerWaalsContact O-CD 3.23Å; Q112-P114 WeakPolarHBondContact O-CD 3.47Å
113N89.8Confident92.3Very high50 Ų5076.9 Ų76.927%0.26738%0.382SS..  trans-74.3112.5-177.1-178-14.6000112.2D110 S115 R116D110-N113 VanDerWaalsContact CG-CB 3.41Å; D110-N113 WeakPolarHBondContact OD1-CB 3.4Å; D110-N113 PolarHBondContact OD1-N 2.86Å; D110-N113 WeakPolarHBondContact OD2-CB 3.36Å; D110-N113 PolarHBondContact OD2-ND2 3.37Å; N113-S115 PolarHBondContact O-N 2.98Å; N113-S115 VanDerWaalsContact O-N 3.14Å; N113-S115 WeakPolarHBondContact OD1-CB 3.42Å; N113-S115 PolarHBondContact OD1-N 3.3Å; N113-S115 VanDerWaalsContact OD1-N 3.15Å; N113-S115 PolarHBondContact OD1-OG 2.81Å; N113-R116 PolarHBondContact O-N 3.49Å
114P88.8Confident92.5Very high103 Ų10372.4 Ų72.467%0.66936%0.359SS*.G310 helixtrans-62.2-27.8-174.8-23.935.8000113.6Q112 R116 M117Q112-P114 VanDerWaalsContact O-CD 3.23Å; Q112-P114 WeakPolarHBondContact O-CD 3.47Å; P114-R116 PolarHBondContact O-N 3.43Å; P114-R116 VanDerWaalsContact O-N 3.09Å; P114-M117 VanDerWaalsContact O-CB 3.29Å; P114-M117 WeakPolarHBondContact O-CB 3.37Å; P114-M117 PolarHBondContact O-N 3.36Å
115S90.4Very high92.6Very high103 Ų10374.1 Ų74.172%0.7237%0.367SS*.G310 helixtrans-66.4-10177.370.90000114.2N113N113-S115 PolarHBondContact O-N 2.98Å; N113-S115 VanDerWaalsContact O-N 3.14Å; N113-S115 WeakPolarHBondContact OD1-CB 3.42Å; N113-S115 PolarHBondContact OD1-N 3.3Å; N113-S115 VanDerWaalsContact OD1-N 3.15Å; N113-S115 PolarHBondContact OD1-OG 2.81Å
116R91.1Very high92.8Very high55 Ų5573.3 Ų73.321%0.20835%0.35CS..G310 helixtrans-107.9-0.5174.4-64.6-173.6178-167.70.5113.6W106 R108 N113 P114 D118 R119 N120W106-R116 HydrophobicContact CZ2-CG 4.38Å; R108-R116 PolarHBondContact O-NH1 2.86Å; N113-R116 PolarHBondContact O-N 3.49Å; P114-R116 PolarHBondContact O-N 3.43Å; P114-R116 VanDerWaalsContact O-N 3.09Å; R116-D118 PolarHBondContact O-N 3.24Å; R116-R119 CarbonylContact O-C 3.52Å; R116-R119 PolarHBondContact O-N 2.94Å; R116-N120 PolarHBondContact O-N 3.42Å
117M92.3Very high93Very high61 Ų6172 Ų7230%0.335%0.345SS..Hα-helixtrans-51-56.4-172.9-175.956.469.800112F59 V63 P114 R119 N120 V121F59-M117 HydrophobicContact CE2-CE 3.95Å; F59-M117 HydrophobicContact CE2-SD 3.55Å; F59-M117 VanDerWaalsContact CE2-SD 3.55Å; F59-M117 HydrophobicContact CZ-SD 3.6Å; V63-M117 HydrophobicContact CG1-SD 3.96Å; V63-M117 HydrophobicContact CG2-CE 3.94Å; V63-M117 HydrophobicContact CG2-SD 3.77Å; P114-M117 VanDerWaalsContact O-CB 3.29Å; P114-M117 WeakPolarHBondContact O-CB 3.37Å; P114-M117 PolarHBondContact O-N 3.36Å; M117-R119 VanDerWaalsContact C-N 3.28Å; M117-R119 PolarHBondContact O-N 2.87Å; M117-N120 WeakPolarHBondContact O-CB 3.41Å; M117-N120 PolarHBondContact O-N 3Å; M117-V121 WeakPolarHBondContact O-CG2 3.46Å; M117-V121 PolarHBondContact O-N 3.01Å
118D93.6Very high93.3Very high139 Ų13962.2 Ų62.274%0.74331%0.309SS*.Hα-helixtrans-60-36.2-179.6-54.1-35.4000112.9R116 V121 E122R116-D118 PolarHBondContact O-N 3.24Å; D118-V121 PolarHBondContact O-N 3.5Å; D118-E122 WeakPolarHBondContact O-CB 3.39Å; D118-E122 PolarHBondContact O-N 3.38Å
119R94.8Very high93.5Very high114 Ų11460.1 Ų60.143%0.4331%0.305SS..Hα-helixtrans-73.5-32.5177-65.7-60.6-168.5175.31112.4F100 W106 R116 M117 E122 M123F100-R119 HydrophobicContact CE1-CB 4.44Å; F100-R119 WeakPolarHBondContact CE1-O 3.4Å; F100-R119 VanDerWaalsContact CZ-O 3.26Å; F100-R119 WeakPolarHBondContact CZ-O 3.44Å; W106-R119 HydrophobicContact CH2-CB 3.83Å; W106-R119 HydrophobicContact CZ2-CB 3.64Å; W106-R119 HydrophobicContact CZ2-CG 4.37Å; R116-R119 CarbonylContact O-C 3.52Å; R116-R119 PolarHBondContact O-N 2.94Å; M117-R119 VanDerWaalsContact C-N 3.28Å; M117-R119 PolarHBondContact O-N 2.87Å; R119-E122 WeakPolarHBondContact CD-OE2 3.43Å; R119-E122 IonicContact CZ-OE2 3.76Å; R119-E122 IonicContact NE-OE2 3.23Å; R119-E122 IonicContact NH1-OE1 2.65Å; R119-E122 PolarHBondContact NH1-OE1 3.03Å; R119-E122 IonicContact NH1-OE2 3.72Å; R119-E122 PolarHBondContact NH1-OE2 3.27Å; R119-E122 PolarHBondContact O-N 3.29Å; R119-M123 PolarHBondContact O-N 3.21Å
120N94.6Very high93.6Very high0 Ų059.7 Ų59.70%031%0.305CS..Hα-helixtrans-68.7-38171.7-69.3-26.1000110.2F59 W106 D110 R116 M117 M123 F124F59-N120 HydrophobicContact CE1-CB 3.92Å; F59-N120 HydrophobicContact CE2-CB 3.74Å; F59-N120 HydrophobicContact CZ-CB 3.34Å; W106-N120 VanDerWaalsContact CH2-OD1 3.23Å; W106-N120 WeakPolarHBondContact CH2-OD1 3.48Å; W106-N120 WeakPolarHBondContact CZ3-OD1 3.49Å; D110-N120 PolarHBondContact O-ND2 3.36Å; R116-N120 PolarHBondContact O-N 3.42Å; M117-N120 WeakPolarHBondContact O-CB 3.41Å; M117-N120 PolarHBondContact O-N 3Å; N120-M123 WeakPolarHBondContact O-CB 3.43Å; N120-M123 PolarHBondContact O-N 3.13Å; N120-F124 WeakPolarHBondContact O-CD2 3.26Å; N120-F124 PolarHBondContact O-N 3.11Å; N120-F124 VanDerWaalsContact O-N 3.09Å
121V95.3Very high93.8Very high15 Ų1558.2 Ų58.29%0.09130%0.297CS..Hα-helixtrans-64.2-43.5171.5179.90000111.7F59 V63 F64 P72 L73 M117 D118 M123 F124 M125F59-V121 HydrophobicContact CZ-CG2 4.34Å; V63-V121 HydrophobicContact CG1-CG2 4.41Å; F64-V121 HydrophobicContact CE1-CG1 4.49Å; F64-V121 HydrophobicContact CE1-CG2 4.06Å; F64-V121 HydrophobicContact CZ-CG2 4.32Å; P72-V121 HydrophobicContact CB-CG1 4.2Å; P72-V121 HydrophobicContact CG-CG1 4.11Å; P72-V121 HydrophobicContact CG-CG2 4.21Å; L73-V121 HydrophobicContact CD1-CG1 3.87Å; L73-V121 HydrophobicContact CG-CG1 4.09Å; M117-V121 WeakPolarHBondContact O-CG2 3.46Å; M117-V121 PolarHBondContact O-N 3.01Å; D118-V121 PolarHBondContact O-N 3.5Å; V121-M123 VanDerWaalsContact C-N 3.28Å; V121-M123 PolarHBondContact O-N 3.34Å; V121-F124 PolarHBondContact O-N 3.26Å; V121-M125 HydrophobicContact CG1-CE 4.31Å; V121-M125 PolarHBondContact O-N 2.88Å
122E95.6Very high93.7Very high69 Ų6959.8 Ų59.832%0.32231%0.307SS..Hα-helixtrans-60.9-34.3173.6-171.9-171.5-163.300112.5F100 D118 R119 M125 T126F100-E122 HydrophobicContact CE2-CB 4.27Å; F100-E122 HydrophobicContact CE2-CG 3.85Å; F100-E122 HydrophobicContact CZ-CB 3.96Å; F100-E122 HydrophobicContact CZ-CG 3.96Å; F100-E122 WeakPolarHBondContact CZ-OE2 3.48Å; D118-E122 WeakPolarHBondContact O-CB 3.39Å; D118-E122 PolarHBondContact O-N 3.38Å; R119-E122 WeakPolarHBondContact CD-OE2 3.43Å; R119-E122 IonicContact CZ-OE2 3.76Å; R119-E122 IonicContact NE-OE2 3.23Å; R119-E122 IonicContact NH1-OE1 2.65Å; R119-E122 PolarHBondContact NH1-OE1 3.03Å; R119-E122 IonicContact NH1-OE2 3.72Å; R119-E122 PolarHBondContact NH1-OE2 3.27Å; R119-E122 PolarHBondContact O-N 3.29Å; E122-M125 PolarHBondContact O-N 3.02Å; E122-T126 WeakPolarHBondContact O-CB 3.46Å; E122-T126 PolarHBondContact O-N 2.9Å; E122-T126 PolarHBondContact O-OG1 3.37Å
123M96.3Very high93.9Very high0 Ų057.9 Ų57.90%030%0.299CS..Hα-helixtrans-63.7-42.6171.1-171172.462.300111.5L56 A97 F100 F109 F111 R119 N120 V121 T126 I127L56-M123 HydrophobicContact CD2-CE 4.03Å; A97-M123 HydrophobicContact CB-SD 4.03Å; F100-M123 HydrophobicContact CB-CB 4.48Å; F100-M123 HydrophobicContact CB-CG 3.81Å; F100-M123 HydrophobicContact CB-SD 4.16Å; F100-M123 HydrophobicContact CD1-CB 3.55Å; F100-M123 HydrophobicContact CD1-CG 3.68Å; F100-M123 HydrophobicContact CD1-SD 3.9Å; F100-M123 HydrophobicContact CD2-CB 4.32Å; F100-M123 HydrophobicContact CD2-CG 4.49Å; F100-M123 HydrophobicContact CE1-CB 3.71Å; F100-M123 HydrophobicContact CE1-CG 4.36Å; F100-M123 HydrophobicContact CE2-CB 4.47Å; F100-M123 HydrophobicContact CG-CB 3.87Å; F100-M123 HydrophobicContact CG-CG 3.75Å; F100-M123 HydrophobicContact CG-SD 4.33Å; F100-M123 HydrophobicContact CZ-CB 4.18Å; F109-M123 HydrophobicContact CD1-CE 4.47Å; F109-M123 HydrophobicContact CD1-SD 4.43Å; F109-M123 HydrophobicContact CE1-CE 4.49Å; F109-M123 HydrophobicContact CE1-SD 4Å; F111-M123 HydrophobicContact CE1-CE 3.53Å; F111-M123 HydrophobicContact CZ-CE 3.77Å; R119-M123 PolarHBondContact O-N 3.21Å; N120-M123 WeakPolarHBondContact O-CB 3.43Å; N120-M123 PolarHBondContact O-N 3.13Å; V121-M123 VanDerWaalsContact C-N 3.28Å; V121-M123 PolarHBondContact O-N 3.34Å; M123-T126 CarbonylContact O-C 3.57Å; M123-T126 WeakPolarHBondContact O-CA 3.47Å; M123-T126 WeakPolarHBondContact O-CB 3.37Å; M123-T126 PolarHBondContact O-N 3.48Å; M123-T126 VanDerWaalsContact O-N 3.14Å; M123-I127 HydrophobicContact CG-CD1 4.08Å; M123-I127 VanDerWaalsContact O-CG1 3.32Å; M123-I127 WeakPolarHBondContact O-CG1 3.47Å; M123-I127 PolarHBondContact O-N 2.92Å
124F96.4Very high94Very high4 Ų458.9 Ų58.92%0.01830%0.304CS..Hα-helixtrans-66.2-38175.4-89.3-92.6000112.8L56 F59 Q60 F64 L73 L76 F111 N120 V121 T126 I127 E128L56-F124 HydrophobicContact CB-CZ 4.1Å; L56-F124 HydrophobicContact CD2-CE2 3.66Å; L56-F124 HydrophobicContact CD2-CZ 3.6Å; L56-F124 HydrophobicContact CG-CZ 4.48Å; L56-F124 WeakPolarHBondContact O-CZ 3.44Å; F59-F124 AromaticContact CD1-CD2 3.94Å; F59-F124 HydrophobicContact CD1-CD2 3.94Å; F59-F124 AromaticContact CD1-CE2 3.46Å; F59-F124 HydrophobicContact CD1-CE2 3.46Å; F59-F124 VanDerWaalsContact CD1-CE2 3.46Å; F59-F124 HydrophobicContact CD1-CZ 4.2Å; F59-F124 AromaticContact CE1-CD2 3.93Å; F59-F124 HydrophobicContact CE1-CD2 3.93Å; F59-F124 AromaticContact CE1-CE2 3.94Å; F59-F124 HydrophobicContact CE1-CE2 3.94Å; F59-F124 HydrophobicContact CG-CE2 4.44Å; Q60-F124 HydrophobicContact CB-CE1 4.22Å; Q60-F124 HydrophobicContact CB-CZ 4.29Å; F64-F124 HydrophobicContact CE2-CB 3.99Å; F64-F124 AromaticContact CE2-CD1 3.79Å; F64-F124 HydrophobicContact CE2-CD1 3.79Å; F64-F124 HydrophobicContact CE2-CD2 4.17Å; F64-F124 HydrophobicContact CE2-CE1 4.29Å; F64-F124 AromaticContact CE2-CG 3.72Å; F64-F124 HydrophobicContact CE2-CG 3.72Å; F64-F124 HydrophobicContact CZ-CB 4.09Å; F64-F124 HydrophobicContact CZ-CD2 4.33Å; F64-F124 HydrophobicContact CZ-CG 4.11Å; L73-F124 HydrophobicContact CD1-CB 3.6Å; L76-F124 HydrophobicContact CD1-CD1 3.95Å; L76-F124 HydrophobicContact CD1-CE1 4.14Å; F111-F124 HydrophobicContact CE1-CE2 4.48Å; N120-F124 WeakPolarHBondContact O-CD2 3.26Å; N120-F124 PolarHBondContact O-N 3.11Å; N120-F124 VanDerWaalsContact O-N 3.09Å; V121-F124 PolarHBondContact O-N 3.26Å; F124-T126 VanDerWaalsContact C-N 3.26Å; F124-T126 PolarHBondContact O-N 3.5Å; F124-I127 PolarHBondContact O-N 2.89Å; F124-E128 PolarHBondContact O-N 3.39Å
125M94.9Very high94.1Very high97 Ų9760.7 Ų60.748%0.47831%0.308SS..Hα-helixtrans-58-39.8168.6-68.9179.8179.200112L73 V121 E122 K129L73-M125 HydrophobicContact CD1-CG 3.96Å; L73-M125 HydrophobicContact CD2-CE 3.87Å; L73-M125 HydrophobicContact CD2-CG 3.76Å; L73-M125 HydrophobicContact CG-CE 4.5Å; L73-M125 HydrophobicContact CG-CG 4.41Å; V121-M125 HydrophobicContact CG1-CE 4.31Å; V121-M125 PolarHBondContact O-N 2.88Å; E122-M125 PolarHBondContact O-N 3.02Å; M125-K129 VanDerWaalsContact O-CB 3.31Å; M125-K129 WeakPolarHBondContact O-CB 3.35Å; M125-K129 PolarHBondContact O-N 2.74Å
126T95.9Very high94Very high49 Ų4957.4 Ų57.430%0.30129%0.285SS..Hα-helixtrans-69.1-38.2178.2-570000111.8E122 M123 F124 S130E122-T126 WeakPolarHBondContact O-CB 3.46Å; E122-T126 PolarHBondContact O-N 2.9Å; E122-T126 PolarHBondContact O-OG1 3.37Å; M123-T126 CarbonylContact O-C 3.57Å; M123-T126 WeakPolarHBondContact O-CA 3.47Å; M123-T126 WeakPolarHBondContact O-CB 3.37Å; M123-T126 PolarHBondContact O-N 3.48Å; M123-T126 VanDerWaalsContact O-N 3.14Å; F124-T126 VanDerWaalsContact C-N 3.26Å; F124-T126 PolarHBondContact O-N 3.5Å; T126-S130 WeakPolarHBondContact O-CB 3.33Å; T126-S130 PolarHBondContact O-N 2.99Å
127I96.7Very high93.9Very high0 Ų056.1 Ų56.10%028%0.282CS..Hα-helixtrans-64.9-49.3173.8-71161.2000110.9L56 L76 I93 A96 A97 M123 F124 K129 S130 L131L56-I127 HydrophobicContact CD2-CD1 4.34Å; L76-I127 HydrophobicContact CD1-CB 4.49Å; L76-I127 HydrophobicContact CD1-CG2 3.52Å; I93-I127 HydrophobicContact CB-CG2 4.16Å; I93-I127 HydrophobicContact CG1-CG2 3.77Å; I93-I127 HydrophobicContact CG2-CD1 4.44Å; I93-I127 HydrophobicContact CG2-CG2 4.09Å; A96-I127 HydrophobicContact CB-CB 4.39Å; A96-I127 HydrophobicContact CB-CG1 3.75Å; A97-I127 HydrophobicContact CB-CD1 4.34Å; M123-I127 HydrophobicContact CG-CD1 4.08Å; M123-I127 VanDerWaalsContact O-CG1 3.32Å; M123-I127 WeakPolarHBondContact O-CG1 3.47Å; M123-I127 PolarHBondContact O-N 2.92Å; F124-I127 PolarHBondContact O-N 2.89Å; I127-K129 VanDerWaalsContact C-N 3.33Å; I127-K129 PolarHBondContact O-N 2.91Å; I127-S130 WeakPolarHBondContact O-CB 3.49Å; I127-S130 PolarHBondContact O-N 3.15Å; I127-S130 VanDerWaalsContact O-N 3.13Å; I127-L131 HydrophobicContact CG2-CD1 4.14Å; I127-L131 PolarHBondContact O-N 3Å
128E94Very high93.6Very high26 Ų2658.1 Ų58.112%0.12130%0.298CS..Hα-helixtrans-59.9-45.4-179.7-159-136.3143.200111L76 F124 S130 L131 V132 L137 R139 Q164L76-E128 HydrophobicContact CD2-CB 4.06Å; L76-E128 HydrophobicContact CD2-CG 3.77Å; F124-E128 PolarHBondContact O-N 3.39Å; E128-S130 VanDerWaalsContact C-N 3.33Å; E128-S130 PolarHBondContact O-N 2.87Å; E128-L131 PolarHBondContact O-N 3.46Å; E128-V132 WeakPolarHBondContact O-CG2 3.48Å; E128-V132 PolarHBondContact O-N 3.33Å; E128-L137 HydrophobicContact CG-CD2 3.87Å; E128-R139 VanDerWaalsContact CD-NH2 3.33Å; E128-R139 IonicContact OE1-CZ 3.14Å; E128-R139 VanDerWaalsContact OE1-CZ 3.32Å; E128-R139 IonicContact OE1-NE 3.96Å; E128-R139 PolarHBondContact OE1-NE 2.94Å; E128-R139 IonicContact OE1-NH2 3.41Å; E128-R139 PolarHBondContact OE1-NH2 3.5Å; E128-R139 IonicContact OE2-NH2 2.73Å; E128-R139 PolarHBondContact OE2-NH2 2.85Å; E128-Q164 PolarHBondContact OE2-NE2 2.9Å
129K94.6Very high93.4Very high132 Ų13256.1 Ų56.157%0.57428%0.28SS*.Hα-helixtrans-61.3-39.3175.3-171.6171.4-176.2172.90112.5M125 I127 Q133M125-K129 VanDerWaalsContact O-CB 3.31Å; M125-K129 WeakPolarHBondContact O-CB 3.35Å; M125-K129 PolarHBondContact O-N 2.74Å; I127-K129 VanDerWaalsContact C-N 3.33Å; I127-K129 PolarHBondContact O-N 2.91Å; K129-Q133 WeakPolarHBondContact O-CB 3.47Å; K129-Q133 WeakPolarHBondContact O-CG 3.36Å; K129-Q133 PolarHBondContact O-N 3.29Å
130S95.4Very high93.2Very high15 Ų1551.1 Ų51.111%0.10526%0.262CS..Hα-helixtrans-62-45.7174.1-175.30000111.5H92 T126 I127 E128 Q133 N134H92-S130 PolarHBondContact O-OG 3.3Å; T126-S130 WeakPolarHBondContact O-CB 3.33Å; T126-S130 PolarHBondContact O-N 2.99Å; I127-S130 WeakPolarHBondContact O-CB 3.49Å; I127-S130 PolarHBondContact O-N 3.15Å; I127-S130 VanDerWaalsContact O-N 3.13Å; E128-S130 VanDerWaalsContact C-N 3.33Å; E128-S130 PolarHBondContact O-N 2.87Å; S130-Q133 PolarHBondContact O-N 2.91Å; S130-N134 PolarHBondContact O-N 2.97Å; S130-N134 PolarHBondContact O-ND2 2.97Å
131L94.9Very high93.1Very high0 Ų053.3 Ų53.30%028%0.275CS..Hα-helixtrans-63.1-45.5178.8-74.5169.4000112.4L76 A89 H92 I93 I127 E128 N134 N135 C136 L137L76-L131 HydrophobicContact CD1-CD1 4.21Å; L76-L131 HydrophobicContact CD2-CD1 3.92Å; A89-L131 HydrophobicContact CB-CD2 3.8Å; A89-L131 WeakPolarHBondContact O-CD2 3.4Å; H92-L131 HydrophobicContact CB-CD2 4.29Å; I93-L131 HydrophobicContact CD1-CD1 4.26Å; I93-L131 HydrophobicContact CG1-CD1 3.88Å; I93-L131 HydrophobicContact CG1-CD2 4.05Å; I93-L131 HydrophobicContact CG1-CG 4.19Å; I127-L131 HydrophobicContact CG2-CD1 4.14Å; I127-L131 PolarHBondContact O-N 3Å; E128-L131 PolarHBondContact O-N 3.46Å; L131-N134 PolarHBondContact O-N 3.48Å; L131-N135 PolarHBondContact O-N 2.87Å; L131-C136 HydrophobicContact CB-CB 4.31Å; L131-C136 HydrophobicContact CD2-CB 3.48Å; L131-C136 VanDerWaalsContact CD2-CB 3.48Å; L131-C136 PolarHBondContact O-N 3.44Å; L131-L137 HydrophobicContact CB-CB 3.73Å; L131-L137 HydrophobicContact CB-CD2 4.46Å; L131-L137 PolarHBondContact O-N 3.33Å
132V92.6Very high93Very high48 Ų4852.6 Ų52.629%0.29127%0.271SS..Hα-helixtrans-64.3-42.7177.2175.80000111.1E128 N134 N135 L137 R139E128-V132 WeakPolarHBondContact O-CG2 3.48Å; E128-V132 PolarHBondContact O-N 3.33Å; V132-N134 PolarHBondContact O-N 3.39Å; V132-N135 PolarHBondContact O-N 2.9Å; V132-L137 HydrophobicContact CG2-CB 4.27Å; V132-L137 HydrophobicContact CG2-CD2 4.19Å; V132-L137 HydrophobicContact CG2-CG 4.33Å; V132-R139 HydrophobicContact CG2-CG 4.47Å
133Q93.9Very high92.9Very high136 Ų13651.8 Ų51.864%0.63627%0.265SS*.Hα-helixtrans-64-25.1179.5-78.2-179.8-27.900114.3K129 S130K129-Q133 WeakPolarHBondContact O-CB 3.47Å; K129-Q133 WeakPolarHBondContact O-CG 3.36Å; K129-Q133 PolarHBondContact O-N 3.29Å; S130-Q133 PolarHBondContact O-N 2.91Å
134N92.4Very high92.7Very high71 Ų7152.7 Ų52.738%0.3827%0.27SS..THydrogen-bonded Turntrans-102.812.1178.9-65.1-86000112.7H92 S130 L131 V132 C136H92-N134 PolarHBondContact CE1-OD1 3.26Å; H92-N134 VanDerWaalsContact ND1-CG 3.3Å; H92-N134 PolarHBondContact ND1-ND2 3.43Å; S130-N134 PolarHBondContact O-N 2.97Å; S130-N134 PolarHBondContact O-ND2 2.97Å; L131-N134 PolarHBondContact O-N 3.48Å; V132-N134 PolarHBondContact O-N 3.39Å; N134-C136 PolarHBondContact O-N 2.9Å
135N90.1Very high92.4Very high140 Ų14053.3 Ų53.375%0.74928%0.275SS*.THydrogen-bonded Turntrans5916.9-175.1-56-67.1000115L131 V132 L137L131-N135 PolarHBondContact O-N 2.87Å; V132-N135 PolarHBondContact O-N 2.9Å; N135-L137 VanDerWaalsContact C-N 3.29Å
136C88.5Confident92Very high35 Ų3553.5 Ų53.524%0.23629%0.286CS..SBendtrans-77.8-13.4175.9-55.40000113.2A89 L131 N134A89-C136 HydrophobicContact CB-CB 3.94Å; L131-C136 HydrophobicContact CB-CB 4.31Å; L131-C136 HydrophobicContact CD2-CB 3.48Å; L131-C136 VanDerWaalsContact CD2-CB 3.48Å; L131-C136 PolarHBondContact O-N 3.44Å; N134-C136 PolarHBondContact O-N 2.9Å
137L89.3Confident91.5Very high28 Ų2856.2 Ų56.215%0.14730%0.298CS..SBendtrans-139.6122.2173.7179.564.3000109.1L76 P77 E128 L131 V132 N135L76-L137 HydrophobicContact CD2-CD2 4.11Å; P77-L137 HydrophobicContact CG-CD1 4.41Å; E128-L137 HydrophobicContact CG-CD2 3.87Å; L131-L137 HydrophobicContact CB-CB 3.73Å; L131-L137 HydrophobicContact CB-CD2 4.46Å; L131-L137 PolarHBondContact O-N 3.33Å; V132-L137 HydrophobicContact CG2-CB 4.27Å; V132-L137 HydrophobicContact CG2-CD2 4.19Å; V132-L137 HydrophobicContact CG2-CG 4.33Å; N135-L137 VanDerWaalsContact C-N 3.29Å
138T86.3Confident91.2Very high103 Ų10356.5 Ų56.563%0.63230%0.3SS*.PPolyproline II helixtrans-101.5130.3177.1-61.90000109.8
139R88.1Confident91Very high96 Ų9660 Ų6036%0.36232%0.316SS..PPolyproline II helixtrans-86.3131.8173.9-67.6179174-161.30.9110.3E128 V132 Q164E128-R139 VanDerWaalsContact CD-NH2 3.33Å; E128-R139 IonicContact OE1-CZ 3.14Å; E128-R139 VanDerWaalsContact OE1-CZ 3.32Å; E128-R139 IonicContact OE1-NE 3.96Å; E128-R139 PolarHBondContact OE1-NE 2.94Å; E128-R139 IonicContact OE1-NH2 3.41Å; E128-R139 PolarHBondContact OE1-NH2 3.5Å; E128-R139 IonicContact OE2-NH2 2.73Å; E128-R139 PolarHBondContact OE2-NH2 2.85Å; V132-R139 HydrophobicContact CG2-CG 4.47Å; R139-Q164 VanDerWaalsContact CZ-OE1 3.24Å; R139-Q164 VanDerWaalsContact NH1-OE1 3.09Å; R139-Q164 VanDerWaalsContact NH2-CD 3.32Å
140P90.6Very high90.7Very high10 Ų1058.9 Ų58.97%0.06532%0.323CS..PPolyproline II helixtrans-63.9146.8-179.6-30.140.1000115I142 S166 W241 W251P140-I142 HydrophobicContact CB-CD1 3.95Å; P140-I142 HydrophobicContact CB-CG1 3.9Å; P140-S166 PolarHBondContact O-N 3.43Å; P140-S166 PolarHBondContact O-OG 2.93Å; P140-W241 HydrophobicContact CB-CH2 4.08Å; P140-W241 HydrophobicContact CG-CH2 4.07Å; P140-W251 HydrophobicContact CB-CH2 4.1Å; P140-W251 HydrophobicContact CB-CZ3 4.14Å; P140-W251 HydrophobicContact CG-CD2 4.14Å; P140-W251 HydrophobicContact CG-CE3 3.81Å; P140-W251 HydrophobicContact CG-CH2 3.81Å; P140-W251 HydrophobicContact CG-CZ2 4.11Å; P140-W251 HydrophobicContact CG-CZ3 3.65Å
141V92.3Very high90.3Very high45 Ų4566 Ų6627%0.27335%0.351SS..EExtended strand (participates in β ladder)trans-117.5108.9171.5-172.40000106.4S166 T168 S175 H176V141-S166 WeakPolarHBondContact CA-OG 3.39Å; V141-T168 HydrophobicContact CG1-CG2 3.84Å; V141-S175 PolarHBondContact N-OG 3.27Å; V141-S175 PolarHBondContact O-N 3.5Å; V141-S175 PolarHBondContact O-OG 2.95Å; V141-H176 PolarHBondContact O-N 2.85Å; V141-H176 VanDerWaalsContact O-N 3.09Å
142I94.1Very high90.2Very high0 Ų068 Ų680%036%0.362CS..EExtended strand (participates in β ladder)trans-113.5121.4-162.2-63.7169.3000110.3P140 L144 I160 S166 V167 T168 H176 V178 W241 I242 W251P140-I142 HydrophobicContact CB-CD1 3.95Å; P140-I142 HydrophobicContact CB-CG1 3.9Å; I142-L144 HydrophobicContact CG2-CD2 4.35Å; I142-L144 HydrophobicContact CG2-CG 4.28Å; I142-I160 HydrophobicContact CB-CD1 4.16Å; I142-I160 HydrophobicContact CD1-CD1 3.89Å; I142-I160 HydrophobicContact CD1-CG1 3.77Å; I142-I160 HydrophobicContact CD1-CG2 4.01Å; I142-I160 HydrophobicContact CG2-CD1 3.84Å; I142-S166 PolarHBondContact N-O 3.31Å; I142-V167 CarbonylContact O-C 3.25Å; I142-V167 VanDerWaalsContact O-CA 3.3Å; I142-V167 WeakPolarHBondContact O-CA 3.48Å; I142-T168 PolarHBondContact O-N 2.92Å; I142-H176 WeakPolarHBondContact CA-O 3.26Å; I142-H176 HydrophobicContact CG1-CB 4.28Å; I142-V178 HydrophobicContact CG2-CB 4.31Å; I142-V178 HydrophobicContact CG2-CG2 3.57Å; I142-W241 HydrophobicContact CD1-CH2 4.32Å; I142-W241 HydrophobicContact CD1-CZ3 3.79Å; I142-W241 HydrophobicContact CG1-CZ3 4.15Å; I142-I242 HydrophobicContact CD1-CD1 4.42Å; I142-I242 HydrophobicContact CG2-CD1 4.46Å; I142-W251 HydrophobicContact CD1-CH2 3.96Å; I142-W251 HydrophobicContact CD1-CZ3 4.17Å
143Y93.3Very high90.1Very high53 Ų5367.9 Ų67.921%0.20836%0.36CS..EExtended strand (participates in β ladder)trans-90.6131.4163.4177.9-88.8000108.9E169 K171 H176 I177 V178Y143-E169 WeakPolarHBondContact CE2-O 3.37Å; Y143-K171 HydrophobicContact CD2-CB 4.2Å; Y143-K171 HydrophobicContact CE2-CB 4.27Å; Y143-K171 HydrophobicContact CG-CB 4.42Å; Y143-H176 PolarHBondContact N-O 3.42Å; Y143-I177 HydrophobicContact CD1-CG1 4.45Å; Y143-I177 HydrophobicContact CD1-CG2 4.22Å; Y143-V178 PolarHBondContact O-N 3.05Å
144L93Very high90Very high18 Ų1863 Ų639%0.09435%0.346CS..EExtended strand (participates in β ladder)trans-104.6124.4177.9-68.8157.8000108.9I142 I148 L153 L156 K157 I160 V167 V178I142-L144 HydrophobicContact CG2-CD2 4.35Å; I142-L144 HydrophobicContact CG2-CG 4.28Å; L144-I148 HydrophobicContact CB-CD1 4.5Å; L144-I148 HydrophobicContact CD2-CD1 4.22Å; L144-L153 HydrophobicContact CB-CD1 3.65Å; L144-L153 HydrophobicContact CD1-CD1 3.88Å; L144-L153 HydrophobicContact CD2-CD1 4.42Å; L144-L153 HydrophobicContact CG-CD1 4.2Å; L144-L156 HydrophobicContact CD2-CB 4.13Å; L144-L156 HydrophobicContact CD2-CD1 3.95Å; L144-K157 HydrophobicContact CD1-CD 4.32Å; L144-K157 HydrophobicContact CD1-CG 3.54Å; L144-I160 HydrophobicContact CD1-CD1 4.25Å; L144-I160 HydrophobicContact CD2-CD1 4.28Å; L144-V167 HydrophobicContact CD1-CG1 4.05Å; L144-V178 HydrophobicContact CD2-CB 4.04Å; L144-V178 HydrophobicContact CD2-CG1 4.01Å
145S89.1Confident90.1Very high17 Ų1764.2 Ų64.212%0.11935%0.348CS..  trans-65.4148.5-179.6-149.10000112.4D147 I148 V178S145-D147 WeakPolarHBondContact CB-OD2 3.41Å; S145-D147 PolarHBondContact O-N 3.08Å; S145-D147 VanDerWaalsContact O-N 3.1Å; S145-D147 PolarHBondContact OG-OD2 2.91Å; S145-I148 PolarHBondContact O-N 2.9Å; S145-V178 WeakPolarHBondContact CB-O 3.43Å; S145-V178 PolarHBondContact N-O 3.35Å
146S86.5Confident90.2Very high101 Ų10157.6 Ų57.671%0.70631%0.312SS*.THydrogen-bonded Turntrans-55.2-24175.139.20000114.2I148S146-I148 VanDerWaalsContact C-N 3.28Å; S146-I148 PolarHBondContact O-N 3.37Å
147D85.6Confident90.5Very high106 Ų10660.2 Ų60.257%0.56732%0.32SS*.THydrogen-bonded Turntrans-88.61.9-165.4-22.7-59.7000112.3S145 P180S145-D147 WeakPolarHBondContact CB-OD2 3.41Å; S145-D147 PolarHBondContact O-N 3.08Å; S145-D147 VanDerWaalsContact O-N 3.1Å; S145-D147 PolarHBondContact OG-OD2 2.91Å; D147-P180 HydrophobicContact CB-CG 3.85Å; D147-P180 VanDerWaalsContact O-CG 3.27Å; D147-P180 WeakPolarHBondContact O-CG 3.32Å
148I89.6Confident90.7Very high7 Ų764 Ų644%0.03634%0.34CS..SBendtrans-85.1132.8179-61.5173.8000109.4L144 S145 S146 L152 L153 L156 V178 P180L144-I148 HydrophobicContact CB-CD1 4.5Å; L144-I148 HydrophobicContact CD2-CD1 4.22Å; S145-I148 PolarHBondContact O-N 2.9Å; S146-I148 VanDerWaalsContact C-N 3.28Å; S146-I148 PolarHBondContact O-N 3.37Å; I148-L152 HydrophobicContact CG2-CB 4.12Å; I148-L152 HydrophobicContact CG2-CD2 4.04Å; I148-L152 HydrophobicContact CG2-CG 3.97Å; I148-L153 HydrophobicContact CB-CD1 4.4Å; I148-L153 HydrophobicContact CG2-CB 4.23Å; I148-L153 HydrophobicContact CG2-CD1 4.44Å; I148-L156 HydrophobicContact CD1-CD1 4.2Å; I148-L156 HydrophobicContact CG2-CD1 3.98Å; I148-V178 HydrophobicContact CD1-CG1 4.06Å; I148-P180 HydrophobicContact CG1-CG 3.91Å
149E90Very high91.1Very high100 Ų10059.1 Ų59.147%0.46731%0.31SS..  trans-52130.7178.2-169.3-161.3167.100111.2K151 L152 L153E149-K151 PolarHBondContact O-N 3.22Å; E149-K151 WeakPolarHBondContact OE1-CG 3.48Å; E149-K151 IonicContact OE1-NZ 3.77Å; E149-K151 PolarHBondContact OE1-NZ 3.05Å; E149-L152 HydrophobicContact CB-CB 4.33Å; E149-L152 CarbonylContact O-C 3.59Å; E149-L152 WeakPolarHBondContact O-CA 3.27Å; E149-L152 WeakPolarHBondContact O-CB 3.27Å; E149-L152 PolarHBondContact O-N 3.24Å; E149-L153 PolarHBondContact O-N 3.3Å
150P87.9Confident91.4Very high108 Ų10854.6 Ų54.670%0.70129%0.293SS*.Hα-helixtrans-53.1-33.2-177.2-31.436.4000115.4L153 G154P150-L153 PolarHBondContact O-N 3Å; P150-G154 PolarHBondContact O-N 3.43Å; P150-G154 VanDerWaalsContact O-N 3.12Å
151K88.8Confident91.5Very high163 Ų16362.1 Ų62.171%0.70933%0.325SS*.Hα-helixtrans-65.3-43.8174.8-56.5-165.2-15880.90112E149 K155E149-K151 PolarHBondContact O-N 3.22Å; E149-K151 WeakPolarHBondContact OE1-CG 3.48Å; E149-K151 IonicContact OE1-NZ 3.77Å; E149-K151 PolarHBondContact OE1-NZ 3.05Å; K151-K155 PolarHBondContact O-N 3.1Å
152L91.1Very high91.5Very high42 Ų4266.3 Ų66.322%0.2234%0.336CS..Hα-helixtrans-69.2-41.2176.1178.757.6000110.7I148 E149 G154 K155 L156 L243I148-L152 HydrophobicContact CG2-CB 4.12Å; I148-L152 HydrophobicContact CG2-CD2 4.04Å; I148-L152 HydrophobicContact CG2-CG 3.97Å; E149-L152 HydrophobicContact CB-CB 4.33Å; E149-L152 CarbonylContact O-C 3.59Å; E149-L152 WeakPolarHBondContact O-CA 3.27Å; E149-L152 WeakPolarHBondContact O-CB 3.27Å; E149-L152 PolarHBondContact O-N 3.24Å; L152-G154 VanDerWaalsContact C-N 3.3Å; L152-G154 PolarHBondContact O-N 2.78Å; L152-K155 PolarHBondContact O-N 3.35Å; L152-K155 VanDerWaalsContact O-N 3.14Å; L152-L156 HydrophobicContact CD1-CD1 4.32Å; L152-L156 HydrophobicContact CD1-CD2 4.3Å; L152-L156 HydrophobicContact CD1-CG 4.01Å; L152-L156 HydrophobicContact CG-CD1 3.95Å; L152-L156 HydrophobicContact CG-CG 4.15Å; L152-L156 VanDerWaalsContact O-CG 3.27Å; L152-L156 WeakPolarHBondContact O-CG 3.23Å; L152-L156 PolarHBondContact O-N 2.86Å; L152-L243 HydrophobicContact CD1-CD1 4.24Å; L152-L243 HydrophobicContact CD1-CD2 4.07Å
153L91.4Very high91.4Very high47 Ų4766.7 Ų66.725%0.24634%0.337CS..Hα-helixtrans-55.8-42.7177.1-171.573.4000112.3L144 I148 E149 P150 L156 K157L144-L153 HydrophobicContact CB-CD1 3.65Å; L144-L153 HydrophobicContact CD1-CD1 3.88Å; L144-L153 HydrophobicContact CD2-CD1 4.42Å; L144-L153 HydrophobicContact CG-CD1 4.2Å; I148-L153 HydrophobicContact CB-CD1 4.4Å; I148-L153 HydrophobicContact CG2-CB 4.23Å; I148-L153 HydrophobicContact CG2-CD1 4.44Å; E149-L153 PolarHBondContact O-N 3.3Å; P150-L153 PolarHBondContact O-N 3Å; L153-L156 PolarHBondContact O-N 3.33Å; L153-K157 WeakPolarHBondContact O-CG 3.29Å; L153-K157 PolarHBondContact O-N 2.96Å; L153-K157 VanDerWaalsContact O-N 3.09Å
154G91.4Very high91.3Very high34 Ų3467.5 Ų67.535%0.35134%0.343SS..Hα-helixtrans-58.3-55.5172.400000112P150 L152 L156 K157 D158P150-G154 PolarHBondContact O-N 3.43Å; P150-G154 VanDerWaalsContact O-N 3.12Å; L152-G154 VanDerWaalsContact C-N 3.3Å; L152-G154 PolarHBondContact O-N 2.78Å; G154-L156 VanDerWaalsContact C-N 3.29Å; G154-L156 PolarHBondContact O-N 2.98Å; G154-K157 PolarHBondContact O-N 3.46Å; G154-K157 VanDerWaalsContact O-N 3.12Å; G154-D158 PolarHBondContact O-N 2.78Å; G154-D158 VanDerWaalsContact O-N 3.09Å
155K94.2Very high91.2Very high96 Ų9667.2 Ų67.242%0.41734%0.344SS..Hα-helixtrans-55-43.6178.5-162.3-163.1179.3-147.30112.1K151 L152 D158 I159 L243 D246K151-K155 PolarHBondContact O-N 3.1Å; L152-K155 PolarHBondContact O-N 3.35Å; L152-K155 VanDerWaalsContact O-N 3.14Å; K155-D158 PolarHBondContact O-N 3.45Å; K155-I159 HydrophobicContact CD-CD1 4.11Å; K155-I159 HydrophobicContact CG-CD1 3.96Å; K155-I159 WeakPolarHBondContact O-CD1 3.39Å; K155-I159 WeakPolarHBondContact O-CG1 3.39Å; K155-I159 PolarHBondContact O-N 2.59Å; K155-L243 HydrophobicContact CD-CD2 4.18Å; K155-D246 WeakPolarHBondContact CE-OD2 3.39Å; K155-D246 IonicContact NZ-OD2 2.93Å; K155-D246 PolarHBondContact NZ-OD2 3.04Å
156L93.9Very high91.4Very high0 Ų068.9 Ų68.90%036%0.356CS..Hα-helixtrans-62.3-44.1178.7-67.5172.5000111.9L144 I148 L152 L153 G154 D158 I159 I160 A239 I242 L243L144-L156 HydrophobicContact CD2-CB 4.13Å; L144-L156 HydrophobicContact CD2-CD1 3.95Å; I148-L156 HydrophobicContact CD1-CD1 4.2Å; I148-L156 HydrophobicContact CG2-CD1 3.98Å; L152-L156 HydrophobicContact CD1-CD1 4.32Å; L152-L156 HydrophobicContact CD1-CD2 4.3Å; L152-L156 HydrophobicContact CD1-CG 4.01Å; L152-L156 HydrophobicContact CG-CD1 3.95Å; L152-L156 HydrophobicContact CG-CG 4.15Å; L152-L156 VanDerWaalsContact O-CG 3.27Å; L152-L156 WeakPolarHBondContact O-CG 3.23Å; L152-L156 PolarHBondContact O-N 2.86Å; L153-L156 PolarHBondContact O-N 3.33Å; G154-L156 VanDerWaalsContact C-N 3.29Å; G154-L156 PolarHBondContact O-N 2.98Å; L156-D158 VanDerWaalsContact C-N 3.34Å; L156-D158 PolarHBondContact O-N 2.97Å; L156-I159 PolarHBondContact O-N 2.73Å; L156-I160 WeakPolarHBondContact O-CD1 3.27Å; L156-I160 WeakPolarHBondContact O-CG1 3.43Å; L156-I160 PolarHBondContact O-N 3.24Å; L156-A239 HydrophobicContact CD1-CB 3.91Å; L156-A239 HydrophobicContact CD2-CB 4.33Å; L156-I242 HydrophobicContact CD2-CB 3.69Å; L156-I242 HydrophobicContact CD2-CD1 4.14Å; L156-I242 HydrophobicContact CD2-CG2 3.55Å; L156-L243 HydrophobicContact CD2-CD2 4.16Å; L156-L243 HydrophobicContact CD2-CG 4.29Å
157K93.7Very high91.7Very high91 Ų9167 Ų6740%0.39634%0.341SS..Hα-helixtrans-61.7-41.1176.9-73.4-176.8178.1-170.90112L144 L153 G154 K161L144-K157 HydrophobicContact CD1-CD 4.32Å; L144-K157 HydrophobicContact CD1-CG 3.54Å; L153-K157 WeakPolarHBondContact O-CG 3.29Å; L153-K157 PolarHBondContact O-N 2.96Å; L153-K157 VanDerWaalsContact O-N 3.09Å; G154-K157 PolarHBondContact O-N 3.46Å; G154-K157 VanDerWaalsContact O-N 3.12Å; K157-K161 WeakPolarHBondContact O-CB 3.29Å; K157-K161 PolarHBondContact O-N 2.98Å; K157-K161 VanDerWaalsContact O-N 3.11Å
158D93.8Very high91.9Very high108 Ų10863.2 Ų63.258%0.57832%0.321SS*.Hα-helixtrans-65.2-43177.1-70.3-31.3000112.3G154 K155 L156 R162G154-D158 PolarHBondContact O-N 2.78Å; G154-D158 VanDerWaalsContact O-N 3.09Å; K155-D158 PolarHBondContact O-N 3.45Å; L156-D158 VanDerWaalsContact C-N 3.34Å; L156-D158 PolarHBondContact O-N 2.97Å; D158-R162 WeakPolarHBondContact O-CB 3.5Å; D158-R162 PolarHBondContact O-N 3.16Å
159I94.6Very high91.8Very high0 Ų071.4 Ų71.40%036%0.359CS..Hα-helixtrans-61.4-54.2175.4-63.9161.8000110.3K155 L156 K161 R162 H163 I242 L243 L245 D246K155-I159 HydrophobicContact CD-CD1 4.11Å; K155-I159 HydrophobicContact CG-CD1 3.96Å; K155-I159 WeakPolarHBondContact O-CD1 3.39Å; K155-I159 WeakPolarHBondContact O-CG1 3.39Å; K155-I159 PolarHBondContact O-N 2.59Å; L156-I159 PolarHBondContact O-N 2.73Å; I159-K161 PolarHBondContact O-N 3.36Å; I159-R162 WeakPolarHBondContact O-CB 3.48Å; I159-R162 PolarHBondContact O-N 3.2Å; I159-H163 PolarHBondContact O-CD2 2.93Å; I159-H163 PolarHBondContact O-N 3Å; I159-I242 HydrophobicContact CB-CG2 3.76Å; I159-I242 HydrophobicContact CD1-CG2 4.12Å; I159-I242 HydrophobicContact CG2-CG2 3.5Å; I159-I242 VanDerWaalsContact CG2-CG2 3.5Å; I159-L243 HydrophobicContact CD1-CD2 4.05Å; I159-L245 HydrophobicContact CG2-CD2 4.24Å; I159-L245 HydrophobicContact CG2-CG 4.47Å; I159-D246 HydrophobicContact CD1-CB 3.78Å; I159-D246 HydrophobicContact CG1-CB 4Å; I159-D246 HydrophobicContact CG2-CB 3.87Å
160I94.2Very high91.6Very high0 Ų069.8 Ų69.80%035%0.354CS..Hα-helixtrans-52.7-46-178.6-67.6163.3000110.6I142 L144 L156 H163 Q164 G165 V167 I242I142-I160 HydrophobicContact CB-CD1 4.16Å; I142-I160 HydrophobicContact CD1-CD1 3.89Å; I142-I160 HydrophobicContact CD1-CG1 3.77Å; I142-I160 HydrophobicContact CD1-CG2 4.01Å; I142-I160 HydrophobicContact CG2-CD1 3.84Å; L144-I160 HydrophobicContact CD1-CD1 4.25Å; L144-I160 HydrophobicContact CD2-CD1 4.28Å; L156-I160 WeakPolarHBondContact O-CD1 3.27Å; L156-I160 WeakPolarHBondContact O-CG1 3.43Å; L156-I160 PolarHBondContact O-N 3.24Å; I160-H163 PolarHBondContact O-N 3.32Å; I160-Q164 PolarHBondContact O-N 3.35Å; I160-G165 WeakPolarHBondContact O-CA 3.32Å; I160-G165 PolarHBondContact O-N 2.92Å; I160-V167 HydrophobicContact CB-CG2 4.2Å; I160-V167 HydrophobicContact CD1-CG2 3.92Å; I160-V167 HydrophobicContact CG2-CG2 3.75Å; I160-I242 HydrophobicContact CD1-CD1 3.81Å; I160-I242 HydrophobicContact CG1-CD1 3.99Å; I160-I242 HydrophobicContact CG1-CG1 4.27Å; I160-I242 HydrophobicContact CG1-CG2 4.18Å
161K93.1Very high91.4Very high169 Ų16970.4 Ų70.474%0.73535%0.346SS*.Hα-helixtrans-64.6-38.7178.7-173.4178.4179.6-177.60112.7K157 I159 Q164K157-K161 WeakPolarHBondContact O-CB 3.29Å; K157-K161 PolarHBondContact O-N 2.98Å; K157-K161 VanDerWaalsContact O-N 3.11Å; I159-K161 PolarHBondContact O-N 3.36Å; K161-Q164 PolarHBondContact O-N 2.86Å
162R92Very high91.2Very high132 Ų13268.5 Ų68.550%0.49835%0.347SS..Hα-helixtrans-65.9-43.4178.2-158.4-163.6-45.7114.7-12.3112.1D158 I159 Q164 D246D158-R162 WeakPolarHBondContact O-CB 3.5Å; D158-R162 PolarHBondContact O-N 3.16Å; I159-R162 WeakPolarHBondContact O-CB 3.48Å; I159-R162 PolarHBondContact O-N 3.2Å; R162-Q164 PolarHBondContact O-N 3.47Å; R162-D246 IonicContact CZ-OD1 3.84Å; R162-D246 VanDerWaalsContact CZ-OD1 3.29Å; R162-D246 IonicContact NH1-OD1 3.75Å; R162-D246 PolarHBondContact NH1-OD1 3.28Å; R162-D246 IonicContact NH2-OD1 3.94Å; R162-D246 PolarHBondContact NH2-OD1 3.03Å
163H92.7Very high90.9Very high8 Ų869.6 Ų69.64%0.03736%0.359CS..THydrogen-bonded Turntrans-86.422.6178.9-60.3-81000113.3T74 I159 I160 G165 L245 N249 W251T74-H163 HydrophobicContact CG2-CB 4.37Å; T74-H163 PolarHBondContact OG1-ND1 3.49Å; I159-H163 PolarHBondContact O-CD2 2.93Å; I159-H163 PolarHBondContact O-N 3Å; I160-H163 PolarHBondContact O-N 3.32Å; H163-G165 PolarHBondContact O-N 3.49Å; H163-G165 VanDerWaalsContact O-N 3.12Å; H163-L245 HydrophobicContact CB-CD1 4Å; H163-L245 HydrophobicContact CB-CD2 3.98Å; H163-L245 HydrophobicContact CB-CG 4.27Å; H163-N249 PolarHBondContact CE1-OD1 3.05Å; H163-N249 PolarHBondContact ND1-OD1 3.02Å; H163-W251 HydrophobicContact CB-CZ2 4.02Å; H163-W251 PolarHBondContact O-NE1 3.24Å
164Q90.5Very high90.7Very high70 Ų7067.7 Ų67.733%0.32735%0.35SS..THydrogen-bonded Turntrans59.719.1173.9-54.8-172.980.600116E128 R139 I160 K161 R162E128-Q164 PolarHBondContact OE2-NE2 2.9Å; R139-Q164 VanDerWaalsContact CZ-OE1 3.24Å; R139-Q164 VanDerWaalsContact NH1-OE1 3.09Å; R139-Q164 VanDerWaalsContact NH2-CD 3.32Å; I160-Q164 PolarHBondContact O-N 3.35Å; K161-Q164 PolarHBondContact O-N 2.86Å; R162-Q164 PolarHBondContact O-N 3.47Å
165G91Very high90.6Very high12 Ų1266.9 Ų66.912%0.12434%0.339CS..  trans-76.2168.7166.600000111.8I160 H163I160-G165 WeakPolarHBondContact O-CA 3.32Å; I160-G165 PolarHBondContact O-N 2.92Å; H163-G165 PolarHBondContact O-N 3.49Å; H163-G165 VanDerWaalsContact O-N 3.12Å
166S92.8Very high90.4Very high52 Ų5263 Ų6336%0.36432%0.322SS..EExtended strand (participates in β ladder)trans-119.8150.2177.658.60000111.1P140 V141 I142P140-S166 PolarHBondContact O-N 3.43Å; P140-S166 PolarHBondContact O-OG 2.93Å; V141-S166 WeakPolarHBondContact CA-OG 3.39Å; I142-S166 PolarHBondContact N-O 3.31Å
167V92.6Very high90.3Very high63 Ų6363.8 Ų63.838%0.38233%0.326SS..EExtended strand (participates in β ladder)trans-111.1133.8176.7-178.30000108.4I142 L144 I160I142-V167 CarbonylContact O-C 3.25Å; I142-V167 VanDerWaalsContact O-CA 3.3Å; I142-V167 WeakPolarHBondContact O-CA 3.48Å; L144-V167 HydrophobicContact CD1-CG1 4.05Å; I160-V167 HydrophobicContact CB-CG2 4.2Å; I160-V167 HydrophobicContact CD1-CG2 3.92Å; I160-V167 HydrophobicContact CG2-CG2 3.75Å
168T90.6Very high90.3Very high26 Ų2659.4 Ų59.416%0.1631%0.307CS..EExtended strand (participates in β ladder)trans-120.1146.8175-176.60000110.7V141 I142 D170 S173V141-T168 HydrophobicContact CG1-CG2 3.84Å; I142-T168 PolarHBondContact O-N 2.92Å; T168-D170 WeakPolarHBondContact CG2-O 3.47Å; T168-D170 PolarHBondContact OG1-N 3.3Å; T168-D170 VanDerWaalsContact OG1-N 3.16Å; T168-D170 PolarHBondContact OG1-O 2.7Å; T168-S173 PolarHBondContact OG1-OG 3.09Å
169E86.8Confident90.2Very high179 Ų17955.1 Ų55.184%0.83628%0.284SS*.SBendtrans-92.3-13.6172.4-59.8-173.2158.800111.8Y143Y143-E169 WeakPolarHBondContact CE2-O 3.37Å
170D85.6Confident90Very high66 Ų6657.3 Ų57.335%0.35330%0.299SS..  trans-94.7124.8172159.647000110.8T168 T172 S173T168-D170 WeakPolarHBondContact CG2-O 3.47Å; T168-D170 PolarHBondContact OG1-N 3.3Å; T168-D170 VanDerWaalsContact OG1-N 3.16Å; T168-D170 PolarHBondContact OG1-O 2.7Å; D170-T172 VanDerWaalsContact C-N 3.3Å; D170-T172 VanDerWaalsContact CG-OG1 3.26Å; D170-T172 PolarHBondContact O-N 3.14Å; D170-T172 WeakPolarHBondContact OD1-CB 3.48Å; D170-T172 PolarHBondContact OD1-N 2.94Å; D170-T172 PolarHBondContact OD1-OG1 3.36Å; D170-T172 PolarHBondContact OD2-OG1 3.12Å; D170-S173 PolarHBondContact O-OG 3.33Å; D170-S173 WeakPolarHBondContact OD2-CB 3.41Å; D170-S173 PolarHBondContact OD2-N 3.27Å; D170-S173 PolarHBondContact OD2-OG 3.09Å
171K85.5Confident89.6Confident121 Ų12160.6 Ų60.653%0.52632%0.315SS..SBendtrans-67.2-28.4179.4-170.1177.8-179.8-178.40112.8Y143 S174 I177Y143-K171 HydrophobicContact CD2-CB 4.2Å; Y143-K171 HydrophobicContact CE2-CB 4.27Å; Y143-K171 HydrophobicContact CG-CB 4.42Å; K171-S174 PolarHBondContact O-OG 2.97Å; K171-I177 HydrophobicContact CD-CD1 4.3Å; K171-I177 HydrophobicContact CG-CD1 3.79Å; K171-I177 HydrophobicContact CG-CG1 4.1Å
172T83.2Confident89.1Confident122 Ų12254.7 Ų54.775%0.74829%0.294SS*.SBendtrans-81.6-32.5-172.767.60000113.8D170 S174D170-T172 VanDerWaalsContact C-N 3.3Å; D170-T172 VanDerWaalsContact CG-OG1 3.26Å; D170-T172 PolarHBondContact O-N 3.14Å; D170-T172 WeakPolarHBondContact OD1-CB 3.48Å; D170-T172 PolarHBondContact OD1-N 2.94Å; D170-T172 PolarHBondContact OD1-OG1 3.36Å; D170-T172 PolarHBondContact OD2-OG1 3.12Å; T172-S174 VanDerWaalsContact C-N 3.33Å
173S84.6Confident88.2Confident65 Ų6555 Ų5546%0.45532%0.317SS..SBendtrans-81.2-6.3170.656.50000114.5T168 D170T168-S173 PolarHBondContact OG1-OG 3.09Å; D170-S173 PolarHBondContact O-OG 3.33Å; D170-S173 WeakPolarHBondContact OD2-CB 3.41Å; D170-S173 PolarHBondContact OD2-N 3.27Å; D170-S173 PolarHBondContact OD2-OG 3.09Å
174S88.6Confident87Confident8 Ų859.6 Ų59.66%0.05635%0.35CS..  trans-69.1147176.677.60000112.1K171 T172 P234K171-S174 PolarHBondContact O-OG 2.97Å; T172-S174 VanDerWaalsContact C-N 3.33Å; S174-P234 WeakPolarHBondContact OG-CB 3.42Å
175S87.8Confident86.1Confident17 Ų1758.5 Ų58.512%0.11935%0.346CS..SBendtrans-91.3-2416263.20000112V141 P234 R235V141-S175 PolarHBondContact N-OG 3.27Å; V141-S175 PolarHBondContact O-N 3.5Å; V141-S175 PolarHBondContact O-OG 2.95Å; S175-P234 WeakPolarHBondContact O-CA 3.47Å; S175-R235 PolarHBondContact O-N 3.49Å
176H91.3Very high84.7Confident13 Ų1364.1 Ų64.16%0.0637%0.369CS..EExtended strand (participates in β ladder)trans-136.5132.2-180-63.381.8000111.8V141 I142 Y143 R235 W241V141-H176 PolarHBondContact O-N 2.85Å; V141-H176 VanDerWaalsContact O-N 3.09Å; I142-H176 WeakPolarHBondContact CA-O 3.26Å; I142-H176 HydrophobicContact CG1-CB 4.28Å; Y143-H176 PolarHBondContact N-O 3.42Å; H176-R235 CarbonylContact C-O 3.6Å; H176-R235 VanDerWaalsContact CA-O 3.31Å; H176-R235 WeakPolarHBondContact CA-O 3.17Å; H176-W241 HydrophobicContact CB-CH2 4.32Å; H176-W241 HydrophobicContact CB-CZ3 4.06Å; H176-W241 AromaticContact CD2-CH2 3.77Å; H176-W241 AromaticContact CG-CH2 3.69Å; H176-W241 AromaticContact CG-CZ3 3.92Å; H176-W241 AromaticContact ND1-CH2 3.89Å
177I91.6Very high83.2Confident17 Ų1771 Ų719%0.08740%0.395CS..EExtended strand (participates in β ladder)trans-102.4113.3169.2-66.7161.4000107.5Y143 K171 V179 P234 R235 K236 V237Y143-I177 HydrophobicContact CD1-CG1 4.45Å; Y143-I177 HydrophobicContact CD1-CG2 4.22Å; K171-I177 HydrophobicContact CD-CD1 4.3Å; K171-I177 HydrophobicContact CG-CD1 3.79Å; K171-I177 HydrophobicContact CG-CG1 4.1Å; I177-V179 HydrophobicContact CG2-CG1 4.34Å; I177-P234 HydrophobicContact CD1-CB 3.92Å; I177-P234 HydrophobicContact CD1-CG 3.47Å; I177-P234 VanDerWaalsContact CD1-CG 3.47Å; I177-P234 HydrophobicContact CG1-CB 4.03Å; I177-P234 HydrophobicContact CG1-CG 4.12Å; I177-R235 PolarHBondContact N-O 3.36Å; I177-K236 HydrophobicContact CG2-CG 4.32Å; I177-K236 CarbonylContact O-C 3.53Å; I177-K236 WeakPolarHBondContact O-CA 3.47Å; I177-V237 PolarHBondContact O-N 3.35Å
178V93Very high82.2Confident0 Ų072.2 Ų72.20%040%0.397CS..EExtended strand (participates in β ladder)trans-94.6122.8179.7173.50000110.1I142 Y143 L144 S145 I148 V237 A239 W241 I242I142-V178 HydrophobicContact CG2-CB 4.31Å; I142-V178 HydrophobicContact CG2-CG2 3.57Å; Y143-V178 PolarHBondContact O-N 3.05Å; L144-V178 HydrophobicContact CD2-CB 4.04Å; L144-V178 HydrophobicContact CD2-CG1 4.01Å; S145-V178 WeakPolarHBondContact CB-O 3.43Å; S145-V178 PolarHBondContact N-O 3.35Å; I148-V178 HydrophobicContact CD1-CG1 4.06Å; V178-V237 CarbonylContact C-O 3.31Å; V178-V237 VanDerWaalsContact CA-O 3.29Å; V178-V237 WeakPolarHBondContact CA-O 3.31Å; V178-V237 HydrophobicContact CG2-CG2 4.02Å; V178-A239 HydrophobicContact CG1-CB 3.86Å; V178-W241 HydrophobicContact CG2-CE3 4.37Å; V178-I242 HydrophobicContact CG1-CD1 4.14Å; V178-I242 HydrophobicContact CG2-CD1 3.77Å
179V91.9Very high81.8Confident17 Ų1775.2 Ų75.210%0.10341%0.409CS..EExtended strand (participates in β ladder)trans-108.6165.3177.2-64.40000111.9I177 K236 V237 H238 A239 V259I177-V179 HydrophobicContact CG2-CG1 4.34Å; V179-K236 HydrophobicContact CG1-CD 4.47Å; V179-K236 HydrophobicContact CG1-CG 4.16Å; V179-V237 WeakPolarHBondContact CG2-O 3.33Å; V179-V237 PolarHBondContact N-O 2.93Å; V179-H238 HydrophobicContact CG2-CB 4.43Å; V179-H238 WeakPolarHBondContact O-CA 3.27Å; V179-A239 PolarHBondContact O-N 3.38Å; V179-V259 HydrophobicContact CG2-CB 4.17Å; V179-V259 HydrophobicContact CG2-CG1 4.42Å; V179-V259 HydrophobicContact CG2-CG2 4.14Å
180P89.7Confident81.7Confident47 Ų4767.5 Ų67.531%0.30537%0.372SS..PPolyproline II helixtrans-53.6159.4172.1-27.135.9000113.7D147 I148 P182D147-P180 HydrophobicContact CB-CG 3.85Å; D147-P180 VanDerWaalsContact O-CG 3.27Å; D147-P180 WeakPolarHBondContact O-CG 3.32Å; I148-P180 HydrophobicContact CG1-CG 3.91Å; P180-P182 WeakPolarHBondContact O-CD 3.46Å
181I86.4Confident81.8Confident68 Ų6864.3 Ų64.335%0.34936%0.356SS..PPolyproline II helixtrans-71.8121.5177.9-57-177000108.7L185 A239 K240 L243I181-L185 HydrophobicContact CG2-CD1 3.41Å; I181-L185 VanDerWaalsContact CG2-CD1 3.41Å; I181-A239 HydrophobicContact CG1-CB 4.06Å; I181-K240 HydrophobicContact CD1-CB 4.37Å; I181-L243 HydrophobicContact CD1-CD1 3.91Å
182P83.4Confident81.9Confident45 Ų4559.2 Ų59.229%0.29233%0.333SS..PPolyproline II helixtrans-61.6137.7179.4-2534.8000112.5P180 S184 L185 H238 V259P180-P182 WeakPolarHBondContact O-CD 3.46Å; P182-S184 PolarHBondContact O-N 3.1Å; P182-S184 VanDerWaalsContact O-N 3.16Å; P182-L185 PolarHBondContact O-N 2.87Å; P182-H238 HydrophobicContact CG-CB 4.43Å; P182-V259 HydrophobicContact CG-CG2 4.34Å
183S72.1Confident82.1Confident139 Ų13953.8 Ų53.897%0.97230%0.3SS*.THydrogen-bonded Turntrans-67.7-11.8-179.4-41.30000114.5
184S68.6Low82.1Confident104 Ų10453.6 Ų53.673%0.72730%0.296SS*.THydrogen-bonded Turntrans-114.139.5-177.867.40000111.9P182 E186P182-S184 PolarHBondContact O-N 3.1Å; P182-S184 VanDerWaalsContact O-N 3.16Å; S184-E186 PolarHBondContact O-N 2.99Å
185L71.8Confident81.7Confident48 Ų4856 Ų5625%0.25131%0.307SS..  trans-73.9115.6-178.7-130.9156.8000109.8I181 P182 E187 Y207I181-L185 HydrophobicContact CG2-CD1 3.41Å; I181-L185 VanDerWaalsContact CG2-CD1 3.41Å; P182-L185 PolarHBondContact O-N 2.87Å; L185-E187 PolarHBondContact O-N 3.44Å; L185-Y207 HydrophobicContact CD2-CE1 4.41Å; L185-Y207 HydrophobicContact CD2-CE2 4.29Å; L185-Y207 WeakPolarHBondContact CD2-OH 3.4Å
186E61.3Low81.4Confident130 Ų13060.9 Ų60.961%0.60733%0.326SS*.  trans-67.4115.2-179.2-66168160.400110.2S184 E188 R268S184-E186 PolarHBondContact O-N 2.99Å; E186-E188 PolarHBondContact O-N 2.95Å; E186-R268 IonicContact OE2-NH1 2.59Å
187E60.9Low80.4Confident195 Ų19562.1 Ų62.191%0.91133%0.33SS*.  trans-78.63.7177.8-61.3-171143.800113.7L185 E189L185-E187 PolarHBondContact O-N 3.44Å; E187-E189 PolarHBondContact O-N 3.01Å
188E71.8Confident79.5Confident89 Ų8967.9 Ų67.942%0.41636%0.361SS..  trans-75.5119179.2177.4150-136.700111.4E186 W190 S270 K272E186-E188 PolarHBondContact O-N 2.95Å; E188-W190 PolarHBondContact O-N 2.96Å; E188-S270 PolarHBondContact OE1-OG 3.25Å; E188-K272 WeakPolarHBondContact OE1-CD 3.44Å; E188-K272 WeakPolarHBondContact OE1-CE 3.38Å; E188-K272 IonicContact OE1-NZ 2.64Å; E188-K272 PolarHBondContact OE1-NZ 3.01Å
189E81.3Confident78.8Confident90 Ų9076.4 Ų76.442%0.42140%0.398SS..  trans-59.9128.3170.9-64.7-162.315800110.7R4 E187 A271R4-E189 IonicContact CZ-OE1 2.69Å; R4-E189 VanDerWaalsContact CZ-OE1 3.3Å; R4-E189 IonicContact CZ-OE2 3.99Å; R4-E189 IonicContact NH1-OE1 2.59Å; R4-E189 PolarHBondContact NH1-OE1 2.88Å; R4-E189 IonicContact NH1-OE2 2.66Å; R4-E189 PolarHBondContact NH1-OE2 3.2Å; R4-E189 IonicContact NH2-OE1 3.23Å; R4-E189 PolarHBondContact NH2-OE1 2.85Å; R4-E189 IonicContact NH2-OE2 3.67Å; E187-E189 PolarHBondContact O-N 3.01Å; E189-A271 HydrophobicContact CB-CB 3.96Å; E189-A271 VanDerWaalsContact O-CB 3.31Å; E189-A271 WeakPolarHBondContact O-CB 3.47Å; E189-A271 PolarHBondContact O-N 2.91Å
190W86Confident78.3Confident16 Ų1680.1 Ų80.16%0.06141%0.414CS..EExtended strand (participates in β ladder)trans-133.3159.4-179.562.7-91.6000111.3E188 R192 G206 Y207 D256 R268 I269E188-W190 PolarHBondContact O-N 2.96Å; W190-R192 HydrophobicContact CZ3-CB 4.04Å; W190-R192 HydrophobicContact CZ3-CG 3.8Å; W190-G206 PolarHBondContact O-N 3.1Å; W190-Y207 AromaticContact NE1-CE2 3.81Å; W190-D256 WeakPolarHBondContact CH2-OD1 3.36Å; W190-D256 HydrophobicContact CZ2-CB 4.42Å; W190-R268 HydrophobicContact CB-CB 4.02Å; W190-R268 HydrophobicContact CD2-CB 3.98Å; W190-R268 HydrophobicContact CD2-CG 3.6Å; W190-R268 VanDerWaalsContact CE2-NE 3.3Å; W190-R268 HydrophobicContact CE3-CB 3.97Å; W190-R268 HydrophobicContact CE3-CG 3.6Å; W190-R268 HydrophobicContact CG-CB 4.01Å; W190-R268 HydrophobicContact CG-CG 4.04Å; W190-R268 HydrophobicContact CH2-CG 4.45Å; W190-R268 HydrophobicContact CZ2-CG 4.45Å; W190-R268 HydrophobicContact CZ3-CG 4.04Å; W190-I269 CarbonylContact C-O 3.58Å; W190-I269 WeakPolarHBondContact CA-O 3.11Å; W190-I269 WeakPolarHBondContact CB-O 3.17Å
191V87.9Confident78.1Confident0 Ų078.1 Ų78.10%040%0.401CS..EExtended strand (participates in β ladder)trans-129.6155.8178.1-60.40000112.3L203 H204 W205 I269 A271 L274V191-L203 HydrophobicContact CB-CD2 4.45Å; V191-L203 HydrophobicContact CG2-CD2 4.23Å; V191-H204 WeakPolarHBondContact CA-O 3.45Å; V191-H204 WeakPolarHBondContact CB-O 3.25Å; V191-W205 HydrophobicContact CG1-CD2 3.65Å; V191-W205 HydrophobicContact CG1-CE3 3.48Å; V191-W205 VanDerWaalsContact CG1-CE3 3.48Å; V191-W205 HydrophobicContact CG1-CG 4.25Å; V191-W205 HydrophobicContact CG1-CH2 4.14Å; V191-W205 HydrophobicContact CG1-CZ2 4.27Å; V191-W205 HydrophobicContact CG1-CZ3 3.77Å; V191-I269 HydrophobicContact CG2-CB 4.01Å; V191-I269 HydrophobicContact CG2-CG2 4.5Å; V191-I269 PolarHBondContact N-O 3.35Å; V191-I269 PolarHBondContact O-N 2.85Å; V191-I269 VanDerWaalsContact O-N 3.09Å; V191-A271 HydrophobicContact CG1-CB 4.48Å; V191-L274 HydrophobicContact CG2-CD1 3.46Å; V191-L274 VanDerWaalsContact CG2-CD1 3.46Å
192R87.6Confident78.2Confident14 Ų1475.4 Ų75.45%0.05339%0.387CS..EExtended strand (participates in β ladder)trans-131.2136.2172.656.6-174.1170.5121-14.3112.2W190 V194 H204 E226 E255 D256W190-R192 HydrophobicContact CZ3-CB 4.04Å; W190-R192 HydrophobicContact CZ3-CG 3.8Å; R192-V194 HydrophobicContact CG-CG2 4.12Å; R192-V194 PolarHBondContact O-N 3.32Å; R192-H204 HydrophobicContact CG-CB 3.91Å; R192-H204 PolarHBondContact N-O 3.32Å; R192-H204 PolarHBondContact NE-CD2 2.89Å; R192-H204 PolarHBondContact O-N 3.43Å; R192-E226 WeakPolarHBondContact CD-OE1 3.37Å; R192-E226 VanDerWaalsContact CD-OE2 3.29Å; R192-E226 WeakPolarHBondContact CD-OE2 3.42Å; R192-E226 IonicContact CZ-OE1 2.77Å; R192-E226 IonicContact CZ-OE2 3.89Å; R192-E226 IonicContact NE-OE1 3.92Å; R192-E226 IonicContact NE-OE2 2.73Å; R192-E226 IonicContact NH1-OE1 2.93Å; R192-E226 PolarHBondContact NH1-OE1 2.83Å; R192-E226 VanDerWaalsContact NH1-OE1 3.1Å; R192-E226 IonicContact NH1-OE2 3.19Å; R192-E226 PolarHBondContact NH1-OE2 2.9Å; R192-E255 IonicContact CZ-OE2 3.58Å; R192-E255 IonicContact NH1-OE2 2.69Å; R192-E255 PolarHBondContact NH1-OE2 3.21Å; R192-E255 IonicContact NH2-OE2 3.7Å; R192-E255 PolarHBondContact NH2-OE2 2.81Å; R192-D256 IonicContact CZ-OD1 3.16Å; R192-D256 IonicContact NE-OD1 3.02Å; R192-D256 PolarHBondContact NE-OD1 3.07Å; R192-D256 IonicContact NH2-OD1 3.28Å; R192-D256 PolarHBondContact NH2-OD1 2.99Å
193P87Confident78.4Confident8 Ų873.2 Ų73.25%0.05237%0.373CS..EExtended strand (participates in β ladder)trans-75.5111173.1-14.330.1000111.8V201 L203 I221 A223 L225 E226 I269P193-V201 HydrophobicContact CB-CG1 3.87Å; P193-L203 HydrophobicContact CB-CD2 4.37Å; P193-L203 HydrophobicContact CG-CD2 4.19Å; P193-I221 HydrophobicContact CG-CG2 4.2Å; P193-A223 HydrophobicContact CG-CB 3.87Å; P193-L225 HydrophobicContact CB-CD2 4.06Å; P193-E226 PolarHBondContact O-N 2.85Å; P193-I269 HydrophobicContact CG-CD1 4.21Å
194V83.6Confident79.3Confident61 Ų6166.6 Ų66.637%0.3733%0.327SS..EExtended strand (participates in β ladder)trans-98.1-27.4-175.6-1790000112.4R192 L202 H204R192-V194 HydrophobicContact CG-CG2 4.12Å; R192-V194 PolarHBondContact O-N 3.32Å; V194-L202 PolarHBondContact N-O 3.15Å; V194-H204 HydrophobicContact CG2-CB 3.52Å
195M81.2Confident80.3Confident59 Ų5962 Ų6229%0.29129%0.293SS..EExtended strand (participates in β ladder)trans-150.7140.2178.5171.3171.433.200111.3V201 L202 W215M195-V201 CarbonylContact O-C 3.53Å; M195-V201 WeakPolarHBondContact O-CA 3.31Å; M195-L202 HydrophobicContact CB-CB 4.12Å; M195-L202 HydrophobicContact CE-CB 4.43Å; M195-L202 HydrophobicContact CE-CD2 3.6Å; M195-L202 PolarHBondContact O-N 3.27Å; M195-W215 HydrophobicContact CE-CH2 3.68Å; M195-W215 HydrophobicContact CE-CZ2 3.56Å; M195-W215 HydrophobicContact CG-CH2 3.9Å; M195-W215 HydrophobicContact SD-CH2 3.86Å; M195-W215 HydrophobicContact SD-CZ2 4.27Å
196K80.6Confident81.1Confident119 Ų11960 Ų6052%0.51728%0.284SS..EExtended strand (participates in β ladder)trans-121.1139.3175.9-176.3170-179.4172.40109.4V201 L225K196-V201 HydrophobicContact CB-CG2 4.11Å; K196-V201 HydrophobicContact CD-CG2 4.21Å; K196-V201 HydrophobicContact CG-CG2 3.85Å; K196-L225 HydrophobicContact CB-CD1 3.81Å; K196-L225 HydrophobicContact CB-CD2 3.86Å; K196-L225 HydrophobicContact CB-CG 3.99Å
197R69.8Low82.5Confident39 Ų3955.2 Ų55.215%0.14726%0.261CS..EExtended strand (participates in β ladder)trans-149.3110.6-175-175.7-177.9-171.1155.410.5109.3D19 T20 Q23 K199 Q200 W215D19-R197 PolarHBondContact O-NH2 3.49Å; D19-R197 VanDerWaalsContact O-NH2 3.14Å; D19-R197 IonicContact OD1-NH2 2.72Å; D19-R197 IonicContact OD2-CZ 2.79Å; D19-R197 IonicContact OD2-NE 3.18Å; D19-R197 PolarHBondContact OD2-NE 3.29Å; D19-R197 IonicContact OD2-NH2 3.02Å; D19-R197 PolarHBondContact OD2-NH2 3.5Å; T20-R197 PolarHBondContact OG1-NH1 3.49Å; T20-R197 PolarHBondContact OG1-NH2 3.41Å; Q23-R197 VanDerWaalsContact NE2-NH2 3.16Å; R197-K199 PolarHBondContact O-N 3.07Å; R197-Q200 PolarHBondContact N-O 3.43Å; R197-Q200 WeakPolarHBondContact O-CA 3.29Å; R197-Q200 PolarHBondContact O-N 3.08Å; R197-Q200 VanDerWaalsContact O-O 3.09Å; R197-W215 HydrophobicContact CB-CH2 4.26Å; R197-W215 HydrophobicContact CB-CZ3 4.03Å
198D73Confident83.9Confident137 Ų13747.3 Ų47.373%0.73322%0.224SC*.THydrogen-bonded Turntrans48.6-108.2-178.8-52.3-49.2000113
199K79Confident84.8Confident180 Ų18043.1 Ų43.178%0.78320%0.204SC*.THydrogen-bonded Turntrans-10018.2179.2-61-177.7-178.5177.20113R197 P217 A218R197-K199 PolarHBondContact O-N 3.07Å; K199-P217 CarbonylContact O-C 3.59Å; K199-P217 WeakPolarHBondContact O-CA 3.3Å; K199-A218 VanDerWaalsContact C-CB 3.49Å; K199-A218 PolarHBondContact O-N 3.36Å
200Q80.9Confident85.2Confident94 Ų9439.9 Ų39.944%0.43919%0.19SC..EExtended strand (participates in β ladder)trans-133.2156.5179.6-64.1-173.41.800113.3R197 W215 I216R197-Q200 PolarHBondContact N-O 3.43Å; R197-Q200 WeakPolarHBondContact O-CA 3.29Å; R197-Q200 PolarHBondContact O-N 3.08Å; R197-Q200 VanDerWaalsContact O-O 3.09Å; Q200-W215 HydrophobicContact CB-CE3 3.96Å; Q200-W215 HydrophobicContact CB-CZ3 4.35Å; Q200-I216 CarbonylContact C-O 3.48Å; Q200-I216 WeakPolarHBondContact CA-O 3.46Å; Q200-I216 WeakPolarHBondContact CB-O 3.31Å
201V86.3Confident85.4Confident5 Ų539.3 Ų39.33%0.0319%0.188CC..EExtended strand (participates in β ladder)trans-134.7136.5175.3168.20000108.6P193 M195 K196 L203 W215 I216 A218P193-V201 HydrophobicContact CB-CG1 3.87Å; M195-V201 CarbonylContact O-C 3.53Å; M195-V201 WeakPolarHBondContact O-CA 3.31Å; K196-V201 HydrophobicContact CB-CG2 4.11Å; K196-V201 HydrophobicContact CD-CG2 4.21Å; K196-V201 HydrophobicContact CG-CG2 3.85Å; V201-L203 HydrophobicContact CG1-CD2 4.23Å; V201-L203 HydrophobicContact CG1-CG 4.45Å; V201-W215 WeakPolarHBondContact O-CA 3.5Å; V201-I216 HydrophobicContact CB-CD1 4.46Å; V201-I216 HydrophobicContact CB-CG1 4.14Å; V201-I216 PolarHBondContact N-O 3.26Å; V201-I216 WeakPolarHBondContact O-CG1 3.36Å; V201-I216 PolarHBondContact O-N 2.99Å; V201-A218 HydrophobicContact CG2-CB 3.91Å
202L87.2Confident85.5Confident11 Ų1139.9 Ų39.96%0.05819%0.19CC..EExtended strand (participates in β ladder)trans-87.7122.5167.5-174.661.1000109.2V194 M195 D213 W215V194-L202 PolarHBondContact N-O 3.15Å; M195-L202 HydrophobicContact CB-CB 4.12Å; M195-L202 HydrophobicContact CE-CB 4.43Å; M195-L202 HydrophobicContact CE-CD2 3.6Å; M195-L202 PolarHBondContact O-N 3.27Å; L202-D213 HydrophobicContact CD1-CB 3.58Å; L202-D213 HydrophobicContact CD2-CB 4.37Å; L202-D213 HydrophobicContact CG-CB 3.99Å; L202-W215 HydrophobicContact CB-CD2 4.04Å; L202-W215 HydrophobicContact CB-CE3 3.99Å; L202-W215 HydrophobicContact CB-CH2 3.98Å; L202-W215 HydrophobicContact CB-CZ2 3.99Å; L202-W215 HydrophobicContact CB-CZ3 3.97Å; L202-W215 HydrophobicContact CD1-CD2 4Å; L202-W215 HydrophobicContact CD1-CG 3.98Å; L202-W215 HydrophobicContact CD1-CZ2 4.47Å; L202-W215 HydrophobicContact CD2-CZ2 4.22Å; L202-W215 HydrophobicContact CG-CZ2 4.47Å
203L89Confident85.7Confident0 Ų039.8 Ų39.80%019%0.191CC..EExtended strand (participates in β ladder)trans-103.1127.7173.7-67.2170.5000111.3A2 V191 P193 V201 D213 T214 I216 I221A2-L203 HydrophobicContact CB-CD1 3.73Å; V191-L203 HydrophobicContact CB-CD2 4.45Å; V191-L203 HydrophobicContact CG2-CD2 4.23Å; P193-L203 HydrophobicContact CB-CD2 4.37Å; P193-L203 HydrophobicContact CG-CD2 4.19Å; V201-L203 HydrophobicContact CG1-CD2 4.23Å; V201-L203 HydrophobicContact CG1-CG 4.45Å; L203-D213 CarbonylContact O-C 3.53Å; L203-D213 VanDerWaalsContact O-CA 3.23Å; L203-D213 WeakPolarHBondContact O-CA 3.29Å; L203-D213 WeakPolarHBondContact O-CB 3.38Å; L203-T214 PolarHBondContact N-O 3.38Å; L203-T214 PolarHBondContact O-N 3.49Å; L203-I216 HydrophobicContact CD1-CD1 3.66Å; L203-I216 HydrophobicContact CD1-CG1 3.76Å; L203-I216 HydrophobicContact CD1-CG2 3.94Å; L203-I216 HydrophobicContact CG-CD1 4.14Å; L203-I216 HydrophobicContact CG-CG1 4.02Å; L203-I221 HydrophobicContact CD1-CD1 3.57Å; L203-I221 HydrophobicContact CD2-CD1 3.55Å; L203-I221 HydrophobicContact CG-CD1 4.1Å
204H90.3Very high85.8Confident0 Ų040.3 Ų40.30%019%0.194CC..EExtended strand (participates in β ladder)trans-86.8145164.8-17464.2000110.6V191 R192 V194 F208 D213 N253 D256V191-H204 WeakPolarHBondContact CA-O 3.45Å; V191-H204 WeakPolarHBondContact CB-O 3.25Å; R192-H204 HydrophobicContact CG-CB 3.91Å; R192-H204 PolarHBondContact N-O 3.32Å; R192-H204 PolarHBondContact NE-CD2 2.89Å; R192-H204 PolarHBondContact O-N 3.43Å; V194-H204 HydrophobicContact CG2-CB 3.52Å; H204-F208 PolarHBondContact CE1-O 2.88Å; H204-F208 PolarHBondContact NE2-O 2.99Å; H204-D213 WeakPolarHBondContact CA-OD1 3.41Å; H204-D213 IonicContact CE1-OD1 2.85Å; H204-D213 IonicContact CG-OD1 2.82Å; H204-D213 IonicContact CG-OD2 3.8Å; H204-D213 IonicContact ND1-OD1 2.67Å; H204-D213 PolarHBondContact ND1-OD1 2.66Å; H204-D213 IonicContact ND1-OD2 2.69Å; H204-D213 PolarHBondContact ND1-OD2 3.47Å; H204-N253 PolarHBondContact CE1-ND2 3.36Å; H204-N253 PolarHBondContact NE2-ND2 2.89Å; H204-N253 VanDerWaalsContact NE2-ND2 3.17Å; H204-D256 IonicContact NE2-OD1 3.93Å; H204-D256 IonicContact NE2-OD2 2.65Å
205W89.8Confident85.9Confident6 Ų639 Ų392%0.02318%0.183CC..EExtended strand (participates in β ladder)trans-108122.9-178.6-65.984.2000109.9A2 R4 V191 Y207 F208 T214 A271A2-W205 HydrophobicContact CB-CH2 4.47Å; A2-W205 HydrophobicContact CB-CZ2 4.34Å; R4-W205 HydrophobicContact CB-CD2 3.7Å; R4-W205 HydrophobicContact CB-CE3 4Å; R4-W205 HydrophobicContact CB-CG 4.26Å; R4-W205 HydrophobicContact CB-CH2 4.06Å; R4-W205 HydrophobicContact CB-CZ2 3.77Å; R4-W205 HydrophobicContact CB-CZ3 4.14Å; R4-W205 HydrophobicContact CG-CD2 3.83Å; R4-W205 HydrophobicContact CG-CE3 4.38Å; R4-W205 HydrophobicContact CG-CG 3.84Å; V191-W205 HydrophobicContact CG1-CD2 3.65Å; V191-W205 HydrophobicContact CG1-CE3 3.48Å; V191-W205 VanDerWaalsContact CG1-CE3 3.48Å; V191-W205 HydrophobicContact CG1-CG 4.25Å; V191-W205 HydrophobicContact CG1-CH2 4.14Å; V191-W205 HydrophobicContact CG1-CZ2 4.27Å; V191-W205 HydrophobicContact CG1-CZ3 3.77Å; W205-Y207 PolarHBondContact O-N 2.98Å; W205-F208 HydrophobicContact CB-CB 4.2Å; W205-F208 HydrophobicContact CB-CD2 3.81Å; W205-F208 HydrophobicContact CB-CG 4.2Å; W205-F208 WeakPolarHBondContact O-CB 3.43Å; W205-F208 PolarHBondContact O-N 3.36Å; W205-T214 PolarHBondContact NE1-OG1 2.94Å; W205-T214 VanDerWaalsContact NE1-OG1 3.12Å; W205-A271 HydrophobicContact CZ3-CB 3.87Å
206G89.1Confident86Confident6 Ų636.5 Ų36.56%0.06217%0.17CC..THydrogen-bonded Turntrans-57.1128.1-174.100000113.7W190 F208 D256W190-G206 PolarHBondContact O-N 3.1Å; G206-F208 VanDerWaalsContact C-N 3.34Å; G206-F208 VanDerWaalsContact O-CD2 3.31Å; G206-F208 WeakPolarHBondContact O-CD2 3.38Å; G206-D256 VanDerWaalsContact CA-OD2 3.29Å; G206-D256 WeakPolarHBondContact CA-OD2 3.1Å
207Y89.3Confident86.1Confident31 Ų3133.5 Ų33.512%0.12216%0.163CC..THydrogen-bonded Turntrans66.423.4-173.8-41.7-68.8000115.7L185 W190 W205 M252 D256 Y257L185-Y207 HydrophobicContact CD2-CE1 4.41Å; L185-Y207 HydrophobicContact CD2-CE2 4.29Å; L185-Y207 WeakPolarHBondContact CD2-OH 3.4Å; W190-Y207 AromaticContact NE1-CE2 3.81Å; W205-Y207 PolarHBondContact O-N 2.98Å; Y207-M252 VanDerWaalsContact O-CE 3.23Å; Y207-M252 WeakPolarHBondContact O-CE 3.44Å; Y207-D256 HydrophobicContact CD1-CB 4.26Å; Y207-D256 VanDerWaalsContact CE1-O 3.29Å; Y207-D256 WeakPolarHBondContact CE1-O 3.06Å; Y207-D256 PolarHBondContact N-OD2 2.69Å; Y207-Y257 WeakPolarHBondContact CA-OH 3.41Å; Y207-Y257 HydrophobicContact CD1-CD1 4.23Å; Y207-Y257 AromaticContact CD1-CE1 3.81Å; Y207-Y257 HydrophobicContact CD1-CE1 3.81Å; Y207-Y257 HydrophobicContact CD1-CE2 4.24Å; Y207-Y257 AromaticContact CD1-CZ 3.8Å
208F90.8Very high86.4Confident29 Ų2932.6 Ų32.613%0.12716%0.164CC..SBendtrans-114.9156.4167.4-65.5-98.8000109.9H204 W205 G206 Y212 Y248 M252H204-F208 PolarHBondContact CE1-O 2.88Å; H204-F208 PolarHBondContact NE2-O 2.99Å; W205-F208 HydrophobicContact CB-CB 4.2Å; W205-F208 HydrophobicContact CB-CD2 3.81Å; W205-F208 HydrophobicContact CB-CG 4.2Å; W205-F208 WeakPolarHBondContact O-CB 3.43Å; W205-F208 PolarHBondContact O-N 3.36Å; G206-F208 VanDerWaalsContact C-N 3.34Å; G206-F208 VanDerWaalsContact O-CD2 3.31Å; G206-F208 WeakPolarHBondContact O-CD2 3.38Å; F208-Y212 HydrophobicContact CB-CG 4.47Å; F208-Y212 HydrophobicContact CD1-CD1 4.43Å; F208-Y212 HydrophobicContact CD1-CG 4.24Å; F208-Y248 AromaticContact CD1-CE1 3.92Å; F208-Y248 HydrophobicContact CD1-CE1 3.92Å; F208-Y248 AromaticContact CD1-CZ 3.73Å; F208-Y248 WeakPolarHBondContact CD1-OH 3.2Å; F208-Y248 HydrophobicContact CE1-CE1 4.19Å; F208-Y248 AromaticContact CE1-CZ 3.86Å; F208-Y248 WeakPolarHBondContact CE1-OH 3.29Å; F208-M252 VanDerWaalsContact C-CE 3.45Å
209P91.3Very high86.5Confident0 Ų031.6 Ų31.60%017%0.167CC..  trans-80.6157.8172.632.4-31.9000111.4S211 Y212 Y248 E250 M252P209-S211 PolarHBondContact O-N 2.78Å; P209-Y212 HydrophobicContact CG-CD2 3.79Å; P209-Y212 HydrophobicContact CG-CE2 4.02Å; P209-Y212 PolarHBondContact O-N 2.83Å; P209-Y248 HydrophobicContact CG-CD1 4.36Å; P209-Y248 HydrophobicContact CG-CG 4.06Å; P209-E250 HydrophobicContact CB-CB 4.01Å; P209-E250 HydrophobicContact CB-CG 3.97Å; P209-E250 HydrophobicContact CG-CB 4.18Å; P209-M252 HydrophobicContact CB-CE 4.48Å; P209-M252 HydrophobicContact CB-SD 3.9Å; P209-M252 HydrophobicContact CG-CE 4.49Å; P209-M252 HydrophobicContact CG-SD 4.03Å
210D89Confident86Confident23 Ų2326.8 Ų26.812%0.12315%0.148CC..G310 helixtrans-43.1-29.8-180-59.7-21.4000114.4M78 K79 Y212 D213 N253M78-D210 HydrophobicContact CB-CB 3.57Å; M78-D210 HydrophobicContact CG-CB 4.47Å; K79-D210 WeakPolarHBondContact CB-OD2 3.48Å; K79-D210 VanDerWaalsContact CD-OD2 3.25Å; K79-D210 WeakPolarHBondContact CD-OD2 3.49Å; K79-D210 VanDerWaalsContact CG-OD2 3.26Å; K79-D210 WeakPolarHBondContact CG-OD2 3.49Å; K79-D210 PolarHBondContact N-OD2 2.79Å; K79-D210 IonicContact NZ-OD2 2.99Å; D210-Y212 PolarHBondContact O-N 3.43Å; D210-D213 WeakPolarHBondContact O-CB 3.42Å; D210-D213 VanDerWaalsContact O-CG 3.3Å; D210-D213 PolarHBondContact O-N 3Å; D210-N253 PolarHBondContact OD1-ND2 3.25Å; D210-N253 PolarHBondContact OD1-OD1 2.9Å
211S90.4Very high85.4Confident3 Ų323 Ų232%0.02113%0.13CC..G310 helixtrans-62-20.717975.70000114.1K5 G8 K75 P209 E250K5-S211 WeakPolarHBondContact CD-O 3.44Å; K5-S211 WeakPolarHBondContact CE-O 3.45Å; K5-S211 PolarHBondContact NZ-O 2.98Å; G8-S211 WeakPolarHBondContact CA-OG 3.29Å; K75-S211 PolarHBondContact NZ-OG 3.41Å; K75-S211 VanDerWaalsContact NZ-OG 3.07Å; P209-S211 PolarHBondContact O-N 2.78Å; S211-E250 VanDerWaalsContact CB-OE2 3.32Å; S211-E250 WeakPolarHBondContact CB-OE2 3.47Å; S211-E250 PolarHBondContact OG-OE2 3.24Å; S211-E250 VanDerWaalsContact OG-OE2 3.06Å
212Y91.1Very high84.1Confident12 Ų1232.2 Ų32.25%0.04717%0.173CC..G310 helixtrans-90.1-4.2179.2-74.8-94.1000114.3K5 D7 F208 P209 D210 Y248K5-Y212 HydrophobicContact CB-CD1 4.32Å; D7-Y212 VanDerWaalsContact C-CE1 3.49Å; F208-Y212 HydrophobicContact CB-CG 4.47Å; F208-Y212 HydrophobicContact CD1-CD1 4.43Å; F208-Y212 HydrophobicContact CD1-CG 4.24Å; P209-Y212 HydrophobicContact CG-CD2 3.79Å; P209-Y212 HydrophobicContact CG-CE2 4.02Å; P209-Y212 PolarHBondContact O-N 2.83Å; D210-Y212 PolarHBondContact O-N 3.43Å; Y212-Y248 HydrophobicContact CD2-CD1 4.44Å; Y212-Y248 AromaticContact CE2-CD1 3.57Å; Y212-Y248 HydrophobicContact CE2-CD1 3.57Å; Y212-Y248 AromaticContact CE2-CE1 3.95Å; Y212-Y248 HydrophobicContact CE2-CE1 3.95Å; Y212-Y248 AromaticContact CZ-CD1 3.91Å
213D90.6Very high82.9Confident12 Ų1233.8 Ų33.86%0.06419%0.188CC..  trans-62.2137.2-172.7-70.114.5000113.4K5 L202 L203 H204 D210K5-D213 WeakPolarHBondContact CE-O 3.16Å; L202-D213 HydrophobicContact CD1-CB 3.58Å; L202-D213 HydrophobicContact CD2-CB 4.37Å; L202-D213 HydrophobicContact CG-CB 3.99Å; L203-D213 CarbonylContact O-C 3.53Å; L203-D213 VanDerWaalsContact O-CA 3.23Å; L203-D213 WeakPolarHBondContact O-CA 3.29Å; L203-D213 WeakPolarHBondContact O-CB 3.38Å; H204-D213 WeakPolarHBondContact CA-OD1 3.41Å; H204-D213 IonicContact CE1-OD1 2.85Å; H204-D213 IonicContact CG-OD1 2.82Å; H204-D213 IonicContact CG-OD2 3.8Å; H204-D213 IonicContact ND1-OD1 2.67Å; H204-D213 PolarHBondContact ND1-OD1 2.66Å; H204-D213 IonicContact ND1-OD2 2.69Å; H204-D213 PolarHBondContact ND1-OD2 3.47Å; D210-D213 WeakPolarHBondContact O-CB 3.42Å; D210-D213 VanDerWaalsContact O-CG 3.3Å; D210-D213 PolarHBondContact O-N 3Å
214T88.8Confident81.6Confident20 Ų2037.2 Ų37.212%0.12322%0.216CC..EExtended strand (participates in β ladder)trans-106.9124.9-173.6-57.10000111.5V3 L203 W205 I216V3-T214 WeakPolarHBondContact O-CG2 3.18Å; V3-T214 PolarHBondContact O-OG1 2.59Å; L203-T214 PolarHBondContact N-O 3.38Å; L203-T214 PolarHBondContact O-N 3.49Å; W205-T214 PolarHBondContact NE1-OG1 2.94Å; W205-T214 VanDerWaalsContact NE1-OG1 3.12Å; T214-I216 HydrophobicContact CG2-CG2 3.93Å
215W86.1Confident80.5Confident34 Ų3441.1 Ų41.113%0.12924%0.237CC..EExtended strand (participates in β ladder)trans-76.6120.4164.3-74.3101.1000110.5Y14 M195 R197 Q200 V201 L202Y14-W215 HydrophobicContact CD2-CD2 4.18Å; Y14-W215 AromaticContact CD2-CE2 3.37Å; Y14-W215 HydrophobicContact CD2-CH2 4.4Å; Y14-W215 AromaticContact CD2-CZ2 3.52Å; Y14-W215 HydrophobicContact CD2-CZ2 3.52Å; Y14-W215 AromaticContact CD2-NE1 3.28Å; Y14-W215 VanDerWaalsContact CD2-NE1 3.28Å; Y14-W215 AromaticContact CE2-CE2 3.54Å; Y14-W215 AromaticContact CE2-CH2 3.91Å; Y14-W215 HydrophobicContact CE2-CH2 3.91Å; Y14-W215 AromaticContact CE2-CZ2 3.13Å; Y14-W215 HydrophobicContact CE2-CZ2 3.13Å; Y14-W215 AromaticContact CE2-NE1 3.77Å; Y14-W215 AromaticContact CG-NE1 3.58Å; Y14-W215 AromaticContact CZ-CZ2 3.93Å; M195-W215 HydrophobicContact CE-CH2 3.68Å; M195-W215 HydrophobicContact CE-CZ2 3.56Å; M195-W215 HydrophobicContact CG-CH2 3.9Å; M195-W215 HydrophobicContact SD-CH2 3.86Å; M195-W215 HydrophobicContact SD-CZ2 4.27Å; R197-W215 HydrophobicContact CB-CH2 4.26Å; R197-W215 HydrophobicContact CB-CZ3 4.03Å; Q200-W215 HydrophobicContact CB-CE3 3.96Å; Q200-W215 HydrophobicContact CB-CZ3 4.35Å; V201-W215 WeakPolarHBondContact O-CA 3.5Å; L202-W215 HydrophobicContact CB-CD2 4.04Å; L202-W215 HydrophobicContact CB-CE3 3.99Å; L202-W215 HydrophobicContact CB-CH2 3.98Å; L202-W215 HydrophobicContact CB-CZ2 3.99Å; L202-W215 HydrophobicContact CB-CZ3 3.97Å; L202-W215 HydrophobicContact CD1-CD2 4Å; L202-W215 HydrophobicContact CD1-CG 3.98Å; L202-W215 HydrophobicContact CD1-CZ2 4.47Å; L202-W215 HydrophobicContact CD2-CZ2 4.22Å; L202-W215 HydrophobicContact CG-CZ2 4.47Å
216I84Confident79.5Confident5 Ų542.9 Ų42.93%0.02625%0.245CC..EExtended strand (participates in β ladder)trans-119164.2176.259.1144.2000111.3A2 Q200 V201 L203 T214 E220 I221A2-I216 HydrophobicContact CB-CG2 3.93Å; Q200-I216 CarbonylContact C-O 3.48Å; Q200-I216 WeakPolarHBondContact CA-O 3.46Å; Q200-I216 WeakPolarHBondContact CB-O 3.31Å; V201-I216 HydrophobicContact CB-CD1 4.46Å; V201-I216 HydrophobicContact CB-CG1 4.14Å; V201-I216 PolarHBondContact N-O 3.26Å; V201-I216 WeakPolarHBondContact O-CG1 3.36Å; V201-I216 PolarHBondContact O-N 2.99Å; L203-I216 HydrophobicContact CD1-CD1 3.66Å; L203-I216 HydrophobicContact CD1-CG1 3.76Å; L203-I216 HydrophobicContact CD1-CG2 3.94Å; L203-I216 HydrophobicContact CG-CD1 4.14Å; L203-I216 HydrophobicContact CG-CG1 4.02Å; T214-I216 HydrophobicContact CG2-CG2 3.93Å; I216-E220 HydrophobicContact CD1-CB 4.18Å; I216-I221 HydrophobicContact CD1-CB 4.03Å; I216-I221 HydrophobicContact CD1-CD1 3.64Å; I216-I221 HydrophobicContact CD1-CG1 3.7Å
217P81.8Confident77.9Confident57 Ų5749 Ų4937%0.3728%0.277SS..EExtended strand (participates in β ladder)trans-66135.2168.9-16.830.7000112K199 S219 E220K199-P217 CarbonylContact O-C 3.59Å; K199-P217 WeakPolarHBondContact O-CA 3.3Å; P217-S219 PolarHBondContact O-N 3.4Å; P217-E220 HydrophobicContact CB-CG 4.23Å; P217-E220 HydrophobicContact CG-CG 4.3Å; P217-E220 PolarHBondContact O-N 3.28Å
218A77.6Confident76.3Confident20 Ų2052.9 Ų52.917%0.16531%0.305CS..THydrogen-bonded Turntrans-66-7179.700000114.2K199 V201K199-A218 VanDerWaalsContact C-CB 3.49Å; K199-A218 PolarHBondContact O-N 3.36Å; V201-A218 HydrophobicContact CG2-CB 3.91Å
219S73.5Confident74.8Confident115 Ų11555.2 Ų55.280%0.80432%0.324SS*.THydrogen-bonded Turntrans-82.7-11.8170.9540000113.7P217P217-S219 PolarHBondContact O-N 3.4Å
220E70.1Confident73Confident80 Ų8057.7 Ų57.737%0.37434%0.341SS..SBendtrans-89.9-16.2179.1-58.8-170.3170.400113M1 I216 P217M1-E220 VanDerWaalsContact CA-OE2 3.22Å; M1-E220 WeakPolarHBondContact CA-OE2 3.32Å; M1-E220 PolarHBondContact N-OE1 2.75Å; M1-E220 PolarHBondContact N-OE2 2.86Å; I216-E220 HydrophobicContact CD1-CB 4.18Å; P217-E220 HydrophobicContact CB-CG 4.23Å; P217-E220 HydrophobicContact CG-CG 4.3Å; P217-E220 PolarHBondContact O-N 3.28Å
221I68.6Low71.3Confident13 Ų1362.5 Ų62.57%0.06737%0.373CS..  trans-138.4114.1179.7-70.3-173.4000111.5P193 L203 I216 A223 I269 L274P193-I221 HydrophobicContact CG-CG2 4.2Å; L203-I221 HydrophobicContact CD1-CD1 3.57Å; L203-I221 HydrophobicContact CD2-CD1 3.55Å; L203-I221 HydrophobicContact CG-CD1 4.1Å; I216-I221 HydrophobicContact CD1-CB 4.03Å; I216-I221 HydrophobicContact CD1-CD1 3.64Å; I216-I221 HydrophobicContact CD1-CG1 3.7Å; I221-A223 HydrophobicContact CG2-CB 3.6Å; I221-A223 PolarHBondContact O-N 2.93Å; I221-I269 HydrophobicContact CG2-CD1 4.19Å; I221-L274 HydrophobicContact CD1-CD1 3.57Å; I221-L274 HydrophobicContact CD1-CD2 3.74Å; I221-L274 HydrophobicContact CD1-CG 4.28Å; I221-L274 HydrophobicContact CG1-CD1 4.36Å; I221-L274 HydrophobicContact CG1-CD2 3.56Å
222E57.9Low69.8Low199 Ų19969.2 Ų69.293%0.9340%0.404SS*.  trans-97.368.5169-167.2173.2-14600109.8
223A62.9Low68.7Low44 Ų4476 Ų7636%0.36443%0.434SS..  trans-127.6151.6175.100000110.9P193 I221 I269P193-A223 HydrophobicContact CG-CB 3.87Å; I221-A223 HydrophobicContact CG2-CB 3.6Å; I221-A223 PolarHBondContact O-N 2.93Å; A223-I269 HydrophobicContact CB-CD1 3.68Å
224A61.6Low68Low73 Ų7377.8 Ų77.860%0.60345%0.446SS*.PPolyproline II helixtrans-64.4150.3176.300000110.9
225L67.4Low67.9Low81 Ų8178.4 Ų78.442%0.42445%0.446SS..PPolyproline II helixtrans-68.3154.7163.2-74.4-172.3000110.5P193 K196P193-L225 HydrophobicContact CB-CD2 4.06Å; K196-L225 HydrophobicContact CB-CD1 3.81Å; K196-L225 HydrophobicContact CB-CD2 3.86Å; K196-L225 HydrophobicContact CB-CG 3.99Å
226E67Low68Low44 Ų4481.2 Ų81.221%0.20646%0.46CS..PPolyproline II helixtrans-82141.8177.6-170170.4-148.800112.7R192 P193 R266R192-E226 WeakPolarHBondContact CD-OE1 3.37Å; R192-E226 VanDerWaalsContact CD-OE2 3.29Å; R192-E226 WeakPolarHBondContact CD-OE2 3.42Å; R192-E226 IonicContact CZ-OE1 2.77Å; R192-E226 IonicContact CZ-OE2 3.89Å; R192-E226 IonicContact NE-OE1 3.92Å; R192-E226 IonicContact NE-OE2 2.73Å; R192-E226 IonicContact NH1-OE1 2.93Å; R192-E226 PolarHBondContact NH1-OE1 2.83Å; R192-E226 VanDerWaalsContact NH1-OE1 3.1Å; R192-E226 IonicContact NH1-OE2 3.19Å; R192-E226 PolarHBondContact NH1-OE2 2.9Å; P193-E226 PolarHBondContact O-N 2.85Å; E226-R266 WeakPolarHBondContact OE1-CD 3.44Å; E226-R266 IonicContact OE1-CZ 2.65Å; E226-R266 IonicContact OE1-NE 2.86Å; E226-R266 IonicContact OE1-NH1 2.82Å; E226-R266 PolarHBondContact OE1-NH1 2.73Å
227D55.8Low68.3Low135 Ų13581 Ų8172%0.72246%0.458SS*.PPolyproline II helixtrans-70.2147.5173.5-63.1-66000111.5
228P56.1Low68.8Low112 Ų11278.7 Ų78.773%0.72744%0.442SS*.PPolyproline II helixtrans-62148.5-178.825.6-34.7000112.4S230P228-S230 PolarHBondContact O-N 2.91Å
229P59Low69.5Low78 Ų7877.7 Ų77.751%0.50644%0.435SS..PPolyproline II helixtrans-54.3131.3-175.6-24.230.2000113.2E255P229-E255 VanDerWaalsContact CB-OE1 3.28Å; P229-E255 WeakPolarHBondContact CB-OE1 3.23Å; P229-E255 VanDerWaalsContact CG-OE1 3.3Å; P229-E255 WeakPolarHBondContact CG-OE1 3.23Å
230S53.8Low70.4Confident51 Ų5175 Ų7536%0.35741%0.409SS..PPolyproline II helixtrans-59.8140.4171.361.30000110.2P228 E232 R235P228-S230 PolarHBondContact O-N 2.91Å; S230-E232 PolarHBondContact O-N 2.59Å; S230-R235 PolarHBondContact O-NH2 3.16Å
231P53.7Low71.5Confident124 Ų12471.3 Ų71.381%0.80539%0.391SS*.  trans-78.518.6-175.633.3-37.5000113.8
232E57.4Low72.8Confident145 Ų14570.7 Ų70.768%0.67839%0.388SS*.  trans-70.9132.5-169.2-163.7166.2-163.100112.1S230S230-E232 PolarHBondContact O-N 2.59Å
233K69.9Low74.4Confident154 Ų15463.1 Ų63.167%0.6735%0.354SS*.SBendtrans-142.9144-178.5-68.5179.9-177.2175.20110
234P75.4Confident75.9Confident50 Ų5061.5 Ų61.533%0.32534%0.339SS..SBendcis-73.3136.2-5.527.9-34.1000113S174 S175 I177S174-P234 WeakPolarHBondContact OG-CB 3.42Å; S175-P234 WeakPolarHBondContact O-CA 3.47Å; I177-P234 HydrophobicContact CD1-CB 3.92Å; I177-P234 HydrophobicContact CD1-CG 3.47Å; I177-P234 VanDerWaalsContact CD1-CG 3.47Å; I177-P234 HydrophobicContact CG1-CB 4.03Å; I177-P234 HydrophobicContact CG1-CG 4.12Å
235R85.8Confident77.4Confident33 Ų3358 Ų5813%0.12531%0.31CS..EExtended strand (participates in β ladder)trans-68.2141170.8-72.2-167.3-172.3-64.2-11.4109.8S175 H176 I177 S230 V237 E258S175-R235 PolarHBondContact O-N 3.49Å; H176-R235 CarbonylContact C-O 3.6Å; H176-R235 VanDerWaalsContact CA-O 3.31Å; H176-R235 WeakPolarHBondContact CA-O 3.17Å; I177-R235 PolarHBondContact N-O 3.36Å; S230-R235 PolarHBondContact O-NH2 3.16Å; R235-V237 HydrophobicContact CB-CG1 4.45Å; R235-E258 WeakPolarHBondContact CD-OE1 3.28Å; R235-E258 IonicContact CZ-OE1 2.76Å; R235-E258 IonicContact NE-OE1 2.59Å; R235-E258 IonicContact NH1-OE1 3.64Å; R235-E258 PolarHBondContact NH1-OE1 3.46Å
236K88.8Confident78.6Confident93 Ų9356.5 Ų56.540%0.40430%0.302SS..EExtended strand (participates in β ladder)trans-107.4109.5177.7-177.7-179.7166.7-137.10110.1I177 V179 E258 V259I177-K236 HydrophobicContact CG2-CG 4.32Å; I177-K236 CarbonylContact O-C 3.53Å; I177-K236 WeakPolarHBondContact O-CA 3.47Å; V179-K236 HydrophobicContact CG1-CD 4.47Å; V179-K236 HydrophobicContact CG1-CG 4.16Å; K236-E258 CarbonylContact O-C 3.59Å; K236-E258 VanDerWaalsContact O-CA 3.32Å; K236-E258 WeakPolarHBondContact O-CA 3.19Å; K236-V259 VanDerWaalsContact CD-O 3.29Å; K236-V259 WeakPolarHBondContact CD-O 3.37Å; K236-V259 VanDerWaalsContact CE-O 3.31Å; K236-V259 WeakPolarHBondContact CE-O 3.29Å; K236-V259 PolarHBondContact NZ-O 3.47Å; K236-V259 PolarHBondContact O-N 3.01Å
237V91.3Very high79.8Confident0 Ų058.6 Ų58.60%031%0.312CS..EExtended strand (participates in β ladder)trans-126154.5-171.1-62.90000112.6I177 V178 V179 R235 W241 E254 Y257 E258I177-V237 PolarHBondContact O-N 3.35Å; V178-V237 CarbonylContact C-O 3.31Å; V178-V237 VanDerWaalsContact CA-O 3.29Å; V178-V237 WeakPolarHBondContact CA-O 3.31Å; V178-V237 HydrophobicContact CG2-CG2 4.02Å; V179-V237 WeakPolarHBondContact CG2-O 3.33Å; V179-V237 PolarHBondContact N-O 2.93Å; R235-V237 HydrophobicContact CB-CG1 4.45Å; V237-W241 HydrophobicContact CG2-CB 4.49Å; V237-W241 HydrophobicContact CG2-CD2 4.12Å; V237-W241 HydrophobicContact CG2-CE3 3.74Å; V237-W241 HydrophobicContact CG2-CG 4.44Å; V237-W241 HydrophobicContact CG2-CZ3 4.31Å; V237-E254 WeakPolarHBondContact CG1-O 3.38Å; V237-Y257 CarbonylContact C-O 3.49Å; V237-Y257 WeakPolarHBondContact CA-O 3.47Å; V237-E258 HydrophobicContact CG1-CG 4.18Å
238H92Very high81.6Confident8 Ų853.1 Ų53.14%0.03728%0.281CS..EExtended strand (participates in β ladder)trans-85.4149.8175.961.193.2000113.7V179 P182 K240 W241 Y257 V259V179-H238 HydrophobicContact CG2-CB 4.43Å; V179-H238 WeakPolarHBondContact O-CA 3.27Å; P182-H238 HydrophobicContact CG-CB 4.43Å; H238-K240 VanDerWaalsContact ND1-CB 3.29Å; H238-K240 WeakPolarHBondContact ND1-CB 3.44Å; H238-K240 PolarHBondContact O-N 2.94Å; H238-W241 WeakPolarHBondContact O-CB 3.47Å; H238-W241 PolarHBondContact O-N 2.82Å; H238-Y257 PolarHBondContact CD2-O 2.75Å; H238-Y257 AromaticContact CE1-CD1 3.47Å; H238-Y257 VanDerWaalsContact CE1-CD1 3.47Å; H238-Y257 WeakPolarHBondContact CE1-CD1 3.38Å; H238-Y257 PolarHBondContact N-O 3.11Å; H238-Y257 AromaticContact ND1-CD1 3.96Å; H238-Y257 AromaticContact NE2-CD1 3.81Å; H238-V259 HydrophobicContact CB-CG2 3.91Å
239A91.9Very high83.4Confident0 Ų048.2 Ų48.20%025%0.249CC..THydrogen-bonded Turntrans-55.2-17.5-173.100000116.4L156 V178 V179 I181 W241 I242 L243L156-A239 HydrophobicContact CD1-CB 3.91Å; L156-A239 HydrophobicContact CD2-CB 4.33Å; V178-A239 HydrophobicContact CG1-CB 3.86Å; V179-A239 PolarHBondContact O-N 3.38Å; I181-A239 HydrophobicContact CG1-CB 4.06Å; A239-W241 PolarHBondContact O-N 2.94Å; A239-I242 PolarHBondContact O-N 3.46Å; A239-L243 PolarHBondContact O-N 3.01Å
240K92.1Very high85Confident59 Ų5944.5 Ų44.526%0.25723%0.225SC..Hα-helixtrans-57.6-29.6171.7-159.8-167.4-176.5-640112I181 H238 I242 L243 D244 Y257I181-K240 HydrophobicContact CD1-CB 4.37Å; H238-K240 VanDerWaalsContact ND1-CB 3.29Å; H238-K240 WeakPolarHBondContact ND1-CB 3.44Å; H238-K240 PolarHBondContact O-N 2.94Å; K240-I242 VanDerWaalsContact C-N 3.26Å; K240-I242 PolarHBondContact O-N 3.29Å; K240-L243 PolarHBondContact O-N 2.91Å; K240-D244 IonicContact NZ-OD1 3.9Å; K240-D244 PolarHBondContact NZ-OD1 3.09Å; K240-D244 IonicContact NZ-OD2 3.43Å; K240-D244 PolarHBondContact NZ-OD2 2.86Å; K240-D244 WeakPolarHBondContact O-CB 3.45Å; K240-D244 PolarHBondContact O-N 3.21Å; K240-Y257 HydrophobicContact CB-CD1 4.14Å; K240-Y257 HydrophobicContact CB-CE1 4.04Å; K240-Y257 HydrophobicContact CD-CE1 4.25Å; K240-Y257 HydrophobicContact CG-CE1 4.22Å
241W93.6Very high86.8Confident1 Ų143.9 Ų43.90%0.00422%0.215CC..Hα-helixtrans-52.6-42176.2-178.860.9000112.8P140 I142 H176 V178 V237 H238 A239 L245 W251 M252 E254 Y257P140-W241 HydrophobicContact CB-CH2 4.08Å; P140-W241 HydrophobicContact CG-CH2 4.07Å; I142-W241 HydrophobicContact CD1-CH2 4.32Å; I142-W241 HydrophobicContact CD1-CZ3 3.79Å; I142-W241 HydrophobicContact CG1-CZ3 4.15Å; H176-W241 HydrophobicContact CB-CH2 4.32Å; H176-W241 HydrophobicContact CB-CZ3 4.06Å; H176-W241 AromaticContact CD2-CH2 3.77Å; H176-W241 AromaticContact CG-CH2 3.69Å; H176-W241 AromaticContact CG-CZ3 3.92Å; H176-W241 AromaticContact ND1-CH2 3.89Å; V178-W241 HydrophobicContact CG2-CE3 4.37Å; V237-W241 HydrophobicContact CG2-CB 4.49Å; V237-W241 HydrophobicContact CG2-CD2 4.12Å; V237-W241 HydrophobicContact CG2-CE3 3.74Å; V237-W241 HydrophobicContact CG2-CG 4.44Å; V237-W241 HydrophobicContact CG2-CZ3 4.31Å; H238-W241 WeakPolarHBondContact O-CB 3.47Å; H238-W241 PolarHBondContact O-N 2.82Å; A239-W241 PolarHBondContact O-N 2.94Å; W241-L245 WeakPolarHBondContact O-CB 3.12Å; W241-L245 PolarHBondContact O-N 3.03Å; W241-W251 HydrophobicContact CH2-CE3 4.04Å; W241-W251 AromaticContact CH2-CZ3 3.66Å; W241-W251 HydrophobicContact CH2-CZ3 3.66Å; W241-W251 AromaticContact CZ2-CE3 3.81Å; W241-W251 HydrophobicContact CZ2-CE3 3.81Å; W241-W251 AromaticContact CZ2-CZ3 3.9Å; W241-W251 HydrophobicContact CZ2-CZ3 3.9Å; W241-W251 HydrophobicContact CZ3-CZ3 4.08Å; W241-M252 PolarHBondContact NE1-O 3.21Å; W241-E254 HydrophobicContact CZ2-CG 3.55Å; W241-Y257 VanDerWaalsContact CA-CD1 3.49Å; W241-Y257 HydrophobicContact CB-CD1 3.72Å; W241-Y257 HydrophobicContact CB-CD2 4.22Å; W241-Y257 HydrophobicContact CB-CE1 4.23Å; W241-Y257 HydrophobicContact CB-CG 3.73Å; W241-Y257 AromaticContact CD1-CD2 3.63Å; W241-Y257 AromaticContact CD1-CE2 3.96Å; W241-Y257 HydrophobicContact CG-CD2 4.29Å; W241-Y257 HydrophobicContact CG-CG 4.23Å; W241-Y257 VanDerWaalsContact N-CD1 3.29Å
242I94.3Very high88.6Confident0 Ų038 Ų380%018%0.177CC..Hα-helixtrans-81.2-33177.9-67155.2000111.6I142 L156 I159 I160 V178 A239 K240 L245 D246I142-I242 HydrophobicContact CD1-CD1 4.42Å; I142-I242 HydrophobicContact CG2-CD1 4.46Å; L156-I242 HydrophobicContact CD2-CB 3.69Å; L156-I242 HydrophobicContact CD2-CD1 4.14Å; L156-I242 HydrophobicContact CD2-CG2 3.55Å; I159-I242 HydrophobicContact CB-CG2 3.76Å; I159-I242 HydrophobicContact CD1-CG2 4.12Å; I159-I242 HydrophobicContact CG2-CG2 3.5Å; I159-I242 VanDerWaalsContact CG2-CG2 3.5Å; I160-I242 HydrophobicContact CD1-CD1 3.81Å; I160-I242 HydrophobicContact CG1-CD1 3.99Å; I160-I242 HydrophobicContact CG1-CG1 4.27Å; I160-I242 HydrophobicContact CG1-CG2 4.18Å; V178-I242 HydrophobicContact CG1-CD1 4.14Å; V178-I242 HydrophobicContact CG2-CD1 3.77Å; A239-I242 PolarHBondContact O-N 3.46Å; K240-I242 VanDerWaalsContact C-N 3.26Å; K240-I242 PolarHBondContact O-N 3.29Å; I242-L245 WeakPolarHBondContact O-CB 3.47Å; I242-L245 PolarHBondContact O-N 2.87Å; I242-D246 PolarHBondContact O-N 2.94Å; I242-D246 VanDerWaalsContact O-N 3.07Å
243L93.3Very high90.1Very high41 Ų4131.8 Ų31.822%0.21515%0.148CC..Hα-helixtrans-70.2-32.9177-62.6176.8000112.5L152 K155 L156 I159 I181 A239 K240 D246 Q247L152-L243 HydrophobicContact CD1-CD1 4.24Å; L152-L243 HydrophobicContact CD1-CD2 4.07Å; K155-L243 HydrophobicContact CD-CD2 4.18Å; L156-L243 HydrophobicContact CD2-CD2 4.16Å; L156-L243 HydrophobicContact CD2-CG 4.29Å; I159-L243 HydrophobicContact CD1-CD2 4.05Å; I181-L243 HydrophobicContact CD1-CD1 3.91Å; A239-L243 PolarHBondContact O-N 3.01Å; K240-L243 PolarHBondContact O-N 2.91Å; L243-D246 WeakPolarHBondContact O-CB 3.33Å; L243-Q247 PolarHBondContact O-N 3.01Å
244D93.3Very high90.9Very high10 Ų1026.8 Ų26.85%0.05313%0.127CC..Hα-helixtrans-77.3-35.9175-64.5-17.6000110.9K240 D246 Q247 Y248 M252 Y257K240-D244 IonicContact NZ-OD1 3.9Å; K240-D244 PolarHBondContact NZ-OD1 3.09Å; K240-D244 IonicContact NZ-OD2 3.43Å; K240-D244 PolarHBondContact NZ-OD2 2.86Å; K240-D244 WeakPolarHBondContact O-CB 3.45Å; K240-D244 PolarHBondContact O-N 3.21Å; D244-D246 VanDerWaalsContact C-N 3.32Å; D244-D246 PolarHBondContact O-N 2.81Å; D244-Q247 CarbonylContact O-C 3.58Å; D244-Q247 WeakPolarHBondContact O-CA 3.22Å; D244-Q247 WeakPolarHBondContact O-CB 3.11Å; D244-Q247 PolarHBondContact O-N 2.8Å; D244-Y248 HydrophobicContact CB-CD2 4.24Å; D244-Y248 HydrophobicContact CB-CE2 4.35Å; D244-Y248 VanDerWaalsContact O-CD2 3.26Å; D244-Y248 WeakPolarHBondContact O-CD2 3.44Å; D244-Y248 PolarHBondContact O-N 2.99Å; D244-M252 HydrophobicContact CB-CE 3.82Å; D244-M252 HydrophobicContact CB-CG 3.93Å; D244-M252 HydrophobicContact CB-SD 4.11Å; D244-Y257 WeakPolarHBondContact OD2-CE1 3.45Å; D244-Y257 VanDerWaalsContact OD2-CZ 3.29Å; D244-Y257 PolarHBondContact OD2-OH 3.05Å
245L93.3Very high91.4Very high0 Ų025.6 Ų25.60%012%0.117CC..Hα-helixtrans-53.2-46.5166.8159.969.8000111.9T74 I159 H163 W241 I242 Q247 N249 E250 W251 M252T74-L245 HydrophobicContact CG2-CD1 4.31Å; I159-L245 HydrophobicContact CG2-CD2 4.24Å; I159-L245 HydrophobicContact CG2-CG 4.47Å; H163-L245 HydrophobicContact CB-CD1 4Å; H163-L245 HydrophobicContact CB-CD2 3.98Å; H163-L245 HydrophobicContact CB-CG 4.27Å; W241-L245 WeakPolarHBondContact O-CB 3.12Å; W241-L245 PolarHBondContact O-N 3.03Å; I242-L245 WeakPolarHBondContact O-CB 3.47Å; I242-L245 PolarHBondContact O-N 2.87Å; L245-Q247 PolarHBondContact O-N 2.83Å; L245-N249 VanDerWaalsContact O-CA 3.23Å; L245-N249 WeakPolarHBondContact O-CA 3.46Å; L245-N249 PolarHBondContact O-N 2.94Å; L245-E250 VanDerWaalsContact CD1-O 3.31Å; L245-E250 WeakPolarHBondContact CD1-O 3.42Å; L245-W251 HydrophobicContact CD1-CD2 4Å; L245-W251 HydrophobicContact CD1-CE3 4.41Å; L245-W251 HydrophobicContact CD1-CG 4.11Å; L245-W251 HydrophobicContact CD2-CD2 3.98Å; L245-W251 HydrophobicContact CD2-CE3 3.74Å; L245-W251 HydrophobicContact CD2-CH2 3.57Å; L245-W251 HydrophobicContact CD2-CZ2 3.81Å; L245-W251 HydrophobicContact CD2-CZ3 3.53Å; L245-M252 HydrophobicContact CB-CG 4.37Å
246D93.3Very high91.5Very high49 Ų4924.2 Ų24.226%0.26211%0.112SC..Hα-helixtrans-60.7-31.8174.7-167.548.6000111.6K155 I159 R162 I242 L243 D244K155-D246 WeakPolarHBondContact CE-OD2 3.39Å; K155-D246 IonicContact NZ-OD2 2.93Å; K155-D246 PolarHBondContact NZ-OD2 3.04Å; I159-D246 HydrophobicContact CD1-CB 3.78Å; I159-D246 HydrophobicContact CG1-CB 4Å; I159-D246 HydrophobicContact CG2-CB 3.87Å; R162-D246 IonicContact CZ-OD1 3.84Å; R162-D246 VanDerWaalsContact CZ-OD1 3.29Å; R162-D246 IonicContact NH1-OD1 3.75Å; R162-D246 PolarHBondContact NH1-OD1 3.28Å; R162-D246 IonicContact NH2-OD1 3.94Å; R162-D246 PolarHBondContact NH2-OD1 3.03Å; I242-D246 PolarHBondContact O-N 2.94Å; I242-D246 VanDerWaalsContact O-N 3.07Å; L243-D246 WeakPolarHBondContact O-CB 3.33Å; D244-D246 VanDerWaalsContact C-N 3.32Å; D244-D246 PolarHBondContact O-N 2.81Å
247Q92.3Very high91.5Very high88 Ų8819.8 Ų19.841%0.4119%0.093SC..Hα-helixtrans-83.7-37.9-179.3176.4170.898.900114.1R66 L243 D244 L245R66-Q247 VanDerWaalsContact CG-O 3.23Å; R66-Q247 WeakPolarHBondContact CG-O 3.45Å; L243-Q247 PolarHBondContact O-N 3.01Å; D244-Q247 CarbonylContact O-C 3.58Å; D244-Q247 WeakPolarHBondContact O-CA 3.22Å; D244-Q247 WeakPolarHBondContact O-CB 3.11Å; D244-Q247 PolarHBondContact O-N 2.8Å; L245-Q247 PolarHBondContact O-N 2.83Å
248Y92.3Very high91.2Very high19 Ų1922.3 Ų22.38%0.07511%0.105CC..Hα-helixtrans-99.4-12.3-177.7-66-76.2000113.6R66 F208 P209 Y212 D244 E250 M252R66-Y248 VanDerWaalsContact CD-CD1 3.49Å; F208-Y248 AromaticContact CD1-CE1 3.92Å; F208-Y248 HydrophobicContact CD1-CE1 3.92Å; F208-Y248 AromaticContact CD1-CZ 3.73Å; F208-Y248 WeakPolarHBondContact CD1-OH 3.2Å; F208-Y248 HydrophobicContact CE1-CE1 4.19Å; F208-Y248 AromaticContact CE1-CZ 3.86Å; F208-Y248 WeakPolarHBondContact CE1-OH 3.29Å; P209-Y248 HydrophobicContact CG-CD1 4.36Å; P209-Y248 HydrophobicContact CG-CG 4.06Å; Y212-Y248 HydrophobicContact CD2-CD1 4.44Å; Y212-Y248 AromaticContact CE2-CD1 3.57Å; Y212-Y248 HydrophobicContact CE2-CD1 3.57Å; Y212-Y248 AromaticContact CE2-CE1 3.95Å; Y212-Y248 HydrophobicContact CE2-CE1 3.95Å; Y212-Y248 AromaticContact CZ-CD1 3.91Å; D244-Y248 HydrophobicContact CB-CD2 4.24Å; D244-Y248 HydrophobicContact CB-CE2 4.35Å; D244-Y248 VanDerWaalsContact O-CD2 3.26Å; D244-Y248 WeakPolarHBondContact O-CD2 3.44Å; D244-Y248 PolarHBondContact O-N 2.99Å; Y248-E250 PolarHBondContact O-N 3.34Å; Y248-M252 HydrophobicContact CD2-CE 3.73Å; Y248-M252 HydrophobicContact CD2-SD 3.72Å; Y248-M252 HydrophobicContact CE2-CE 4.05Å; Y248-M252 HydrophobicContact CG-SD 4.29Å
249N94.4Very high90.6Very high9 Ų923.9 Ų23.95%0.04812%0.115CC..SBendtrans54.633.3-172.6-170.442.5000113.4F64 P71 L73 T74 K75 H163 L245F64-N249 PolarHBondContact O-ND2 2.9Å; P71-N249 WeakPolarHBondContact CB-ND2 3.2Å; P71-N249 HydrophobicContact CG-CB 4.3Å; P71-N249 VanDerWaalsContact CG-ND2 3.33Å; P71-N249 WeakPolarHBondContact CG-ND2 3.18Å; L73-N249 PolarHBondContact O-ND2 3.17Å; T74-N249 WeakPolarHBondContact CA-OD1 3.31Å; T74-N249 VanDerWaalsContact CG2-O 3.29Å; T74-N249 WeakPolarHBondContact CG2-O 3.48Å; K75-N249 WeakPolarHBondContact CB-O 3.27Å; K75-N249 WeakPolarHBondContact CG-O 3.44Å; K75-N249 PolarHBondContact N-O 2.86Å; H163-N249 PolarHBondContact CE1-OD1 3.05Å; H163-N249 PolarHBondContact ND1-OD1 3.02Å; L245-N249 VanDerWaalsContact O-CA 3.23Å; L245-N249 WeakPolarHBondContact O-CA 3.46Å; L245-N249 PolarHBondContact O-N 2.94Å
250E92.6Very high89.2Confident1 Ų126 Ų261%0.00514%0.137CC..BIsolated β-bridgetrans-140.8143.6179.3-166166.8160.600109K75 P77 M78 P209 S211 L245 Y248 M252K75-E250 HydrophobicContact CB-CB 4.01Å; K75-E250 HydrophobicContact CB-CG 4.01Å; K75-E250 HydrophobicContact CD-CB 4.27Å; K75-E250 WeakPolarHBondContact CE-OE2 3.26Å; K75-E250 IonicContact NZ-OE2 2.68Å; K75-E250 PolarHBondContact NZ-OE2 3.23Å; P77-E250 WeakPolarHBondContact CA-OE1 3.48Å; M78-E250 PolarHBondContact N-OE1 2.93Å; P209-E250 HydrophobicContact CB-CB 4.01Å; P209-E250 HydrophobicContact CB-CG 3.97Å; P209-E250 HydrophobicContact CG-CB 4.18Å; S211-E250 VanDerWaalsContact CB-OE2 3.32Å; S211-E250 WeakPolarHBondContact CB-OE2 3.47Å; S211-E250 PolarHBondContact OG-OE2 3.24Å; S211-E250 VanDerWaalsContact OG-OE2 3.06Å; L245-E250 VanDerWaalsContact CD1-O 3.31Å; L245-E250 WeakPolarHBondContact CD1-O 3.42Å; Y248-E250 PolarHBondContact O-N 3.34Å; E250-M252 PolarHBondContact O-N 2.98Å; E250-M252 VanDerWaalsContact O-N 3.14Å
251W91.8Very high86.9Confident37 Ų3732 Ų3214%0.1417%0.171CC..  trans-71.8109.9178.5-79.998.3000110.5P140 I142 H163 W241 L245P140-W251 HydrophobicContact CB-CH2 4.1Å; P140-W251 HydrophobicContact CB-CZ3 4.14Å; P140-W251 HydrophobicContact CG-CD2 4.14Å; P140-W251 HydrophobicContact CG-CE3 3.81Å; P140-W251 HydrophobicContact CG-CH2 3.81Å; P140-W251 HydrophobicContact CG-CZ2 4.11Å; P140-W251 HydrophobicContact CG-CZ3 3.65Å; I142-W251 HydrophobicContact CD1-CH2 3.96Å; I142-W251 HydrophobicContact CD1-CZ3 4.17Å; H163-W251 HydrophobicContact CB-CZ2 4.02Å; H163-W251 PolarHBondContact O-NE1 3.24Å; W241-W251 HydrophobicContact CH2-CE3 4.04Å; W241-W251 AromaticContact CH2-CZ3 3.66Å; W241-W251 HydrophobicContact CH2-CZ3 3.66Å; W241-W251 AromaticContact CZ2-CE3 3.81Å; W241-W251 HydrophobicContact CZ2-CE3 3.81Å; W241-W251 AromaticContact CZ2-CZ3 3.9Å; W241-W251 HydrophobicContact CZ2-CZ3 3.9Å; W241-W251 HydrophobicContact CZ3-CZ3 4.08Å; L245-W251 HydrophobicContact CD1-CD2 4Å; L245-W251 HydrophobicContact CD1-CE3 4.41Å; L245-W251 HydrophobicContact CD1-CG 4.11Å; L245-W251 HydrophobicContact CD2-CD2 3.98Å; L245-W251 HydrophobicContact CD2-CE3 3.74Å; L245-W251 HydrophobicContact CD2-CH2 3.57Å; L245-W251 HydrophobicContact CD2-CZ2 3.81Å; L245-W251 HydrophobicContact CD2-CZ3 3.53Å
252M91.3Very high84.6Confident2 Ų235.5 Ų35.51%0.0121%0.208CC..  trans-64.7149.3-176.3-51.7-61.6-68.900112.2Y207 F208 P209 W241 D244 L245 Y248 E250 E254 Y257Y207-M252 VanDerWaalsContact O-CE 3.23Å; Y207-M252 WeakPolarHBondContact O-CE 3.44Å; F208-M252 VanDerWaalsContact C-CE 3.45Å; P209-M252 HydrophobicContact CB-CE 4.48Å; P209-M252 HydrophobicContact CB-SD 3.9Å; P209-M252 HydrophobicContact CG-CE 4.49Å; P209-M252 HydrophobicContact CG-SD 4.03Å; W241-M252 PolarHBondContact NE1-O 3.21Å; D244-M252 HydrophobicContact CB-CE 3.82Å; D244-M252 HydrophobicContact CB-CG 3.93Å; D244-M252 HydrophobicContact CB-SD 4.11Å; L245-M252 HydrophobicContact CB-CG 4.37Å; Y248-M252 HydrophobicContact CD2-CE 3.73Å; Y248-M252 HydrophobicContact CD2-SD 3.72Å; Y248-M252 HydrophobicContact CE2-CE 4.05Å; Y248-M252 HydrophobicContact CG-SD 4.29Å; E250-M252 PolarHBondContact O-N 2.98Å; E250-M252 VanDerWaalsContact O-N 3.14Å; M252-E254 PolarHBondContact O-N 3.12Å; M252-Y257 HydrophobicContact CB-CE2 3.93Å; M252-Y257 VanDerWaalsContact CE-OH 3.27Å; M252-Y257 WeakPolarHBondContact CE-OH 3.3Å
253N89.1Confident81.9Confident13 Ų1337.9 Ų37.97%0.0722%0.224CC..  trans-62.7124.3175.3-77.9-25.4000111.1K79 H204 D210 E255 D256 Y257K79-N253 PolarHBondContact NZ-OD1 3.41Å; H204-N253 PolarHBondContact CE1-ND2 3.36Å; H204-N253 PolarHBondContact NE2-ND2 2.89Å; H204-N253 VanDerWaalsContact NE2-ND2 3.17Å; D210-N253 PolarHBondContact OD1-ND2 3.25Å; D210-N253 PolarHBondContact OD1-OD1 2.9Å; N253-E255 VanDerWaalsContact C-N 3.28Å; N253-E255 PolarHBondContact O-N 3.21Å; N253-D256 PolarHBondContact O-N 3.06Å; N253-Y257 WeakPolarHBondContact O-CD2 3.46Å; N253-Y257 WeakPolarHBondContact O-CE2 3.18Å
254E87.5Confident79.5Confident50 Ų5040.6 Ų40.623%0.23424%0.244CC..G310 helixtrans-70.7-30.7-168.3-51.699.113400111.7V237 W241 M252 D256 Y257V237-E254 WeakPolarHBondContact CG1-O 3.38Å; W241-E254 HydrophobicContact CZ2-CG 3.55Å; M252-E254 PolarHBondContact O-N 3.12Å; E254-D256 VanDerWaalsContact C-N 3.27Å; E254-D256 PolarHBondContact O-N 3.48Å; E254-Y257 PolarHBondContact O-N 3Å; E254-Y257 VanDerWaalsContact O-N 3.15Å
255E85Confident77.6Confident24 Ų2450 Ų5011%0.11229%0.285CS..G310 helixtrans-61.2-29.9-179-46.3-178.3116.700113.7R192 P229 N253 Y257 R266R192-E255 IonicContact CZ-OE2 3.58Å; R192-E255 IonicContact NH1-OE2 2.69Å; R192-E255 PolarHBondContact NH1-OE2 3.21Å; R192-E255 IonicContact NH2-OE2 3.7Å; R192-E255 PolarHBondContact NH2-OE2 2.81Å; P229-E255 VanDerWaalsContact CB-OE1 3.28Å; P229-E255 WeakPolarHBondContact CB-OE1 3.23Å; P229-E255 VanDerWaalsContact CG-OE1 3.3Å; P229-E255 WeakPolarHBondContact CG-OE1 3.23Å; N253-E255 VanDerWaalsContact C-N 3.28Å; N253-E255 PolarHBondContact O-N 3.21Å; E255-Y257 PolarHBondContact O-N 3.23Å; E255-R266 IonicContact OE1-CZ 3.9Å; E255-R266 IonicContact OE1-NH1 2.75Å; E255-R266 PolarHBondContact OE1-NH1 3.37Å; E255-R266 IonicContact OE1-NH2 2.98Å; E255-R266 PolarHBondContact OE1-NH2 2.98Å; E255-R266 IonicContact OE2-NH1 3.29Å; E255-R266 PolarHBondContact OE2-NH1 3.32Å
256D87.7Confident75.9Confident4 Ų453.5 Ų53.52%0.02130%0.298CS..G310 helixtrans-69.9-22.1179.7-81.728000112.1W190 R192 H204 G206 Y207 N253 E254 R268W190-D256 WeakPolarHBondContact CH2-OD1 3.36Å; W190-D256 HydrophobicContact CZ2-CB 4.42Å; R192-D256 IonicContact CZ-OD1 3.16Å; R192-D256 IonicContact NE-OD1 3.02Å; R192-D256 PolarHBondContact NE-OD1 3.07Å; R192-D256 IonicContact NH2-OD1 3.28Å; R192-D256 PolarHBondContact NH2-OD1 2.99Å; H204-D256 IonicContact NE2-OD1 3.93Å; H204-D256 IonicContact NE2-OD2 2.65Å; G206-D256 VanDerWaalsContact CA-OD2 3.29Å; G206-D256 WeakPolarHBondContact CA-OD2 3.1Å; Y207-D256 HydrophobicContact CD1-CB 4.26Å; Y207-D256 VanDerWaalsContact CE1-O 3.29Å; Y207-D256 WeakPolarHBondContact CE1-O 3.06Å; Y207-D256 PolarHBondContact N-OD2 2.69Å; N253-D256 PolarHBondContact O-N 3.06Å; E254-D256 VanDerWaalsContact C-N 3.27Å; E254-D256 PolarHBondContact O-N 3.48Å; D256-R268 PolarHBondContact O-NH2 3.49Å
257Y88.8Confident74.3Confident1 Ų160 Ų600%0.00432%0.324CS..G310 helixtrans-113.47.3-169.4-58.5-101000113.4Y207 V237 H238 K240 W241 D244 M252 N253 E254 E255Y207-Y257 WeakPolarHBondContact CA-OH 3.41Å; Y207-Y257 HydrophobicContact CD1-CD1 4.23Å; Y207-Y257 AromaticContact CD1-CE1 3.81Å; Y207-Y257 HydrophobicContact CD1-CE1 3.81Å; Y207-Y257 HydrophobicContact CD1-CE2 4.24Å; Y207-Y257 AromaticContact CD1-CZ 3.8Å; V237-Y257 CarbonylContact C-O 3.49Å; V237-Y257 WeakPolarHBondContact CA-O 3.47Å; H238-Y257 PolarHBondContact CD2-O 2.75Å; H238-Y257 AromaticContact CE1-CD1 3.47Å; H238-Y257 VanDerWaalsContact CE1-CD1 3.47Å; H238-Y257 WeakPolarHBondContact CE1-CD1 3.38Å; H238-Y257 PolarHBondContact N-O 3.11Å; H238-Y257 AromaticContact ND1-CD1 3.96Å; H238-Y257 AromaticContact NE2-CD1 3.81Å; K240-Y257 HydrophobicContact CB-CD1 4.14Å; K240-Y257 HydrophobicContact CB-CE1 4.04Å; K240-Y257 HydrophobicContact CD-CE1 4.25Å; K240-Y257 HydrophobicContact CG-CE1 4.22Å; W241-Y257 VanDerWaalsContact CA-CD1 3.49Å; W241-Y257 HydrophobicContact CB-CD1 3.72Å; W241-Y257 HydrophobicContact CB-CD2 4.22Å; W241-Y257 HydrophobicContact CB-CE1 4.23Å; W241-Y257 HydrophobicContact CB-CG 3.73Å; W241-Y257 AromaticContact CD1-CD2 3.63Å; W241-Y257 AromaticContact CD1-CE2 3.96Å; W241-Y257 HydrophobicContact CG-CD2 4.29Å; W241-Y257 HydrophobicContact CG-CG 4.23Å; W241-Y257 VanDerWaalsContact N-CD1 3.29Å; D244-Y257 WeakPolarHBondContact OD2-CE1 3.45Å; D244-Y257 VanDerWaalsContact OD2-CZ 3.29Å; D244-Y257 PolarHBondContact OD2-OH 3.05Å; M252-Y257 HydrophobicContact CB-CE2 3.93Å; M252-Y257 VanDerWaalsContact CE-OH 3.27Å; M252-Y257 WeakPolarHBondContact CE-OH 3.3Å; N253-Y257 WeakPolarHBondContact O-CD2 3.46Å; N253-Y257 WeakPolarHBondContact O-CE2 3.18Å; E254-Y257 PolarHBondContact O-N 3Å; E254-Y257 VanDerWaalsContact O-N 3.15Å; E255-Y257 PolarHBondContact O-N 3.23Å
258E86.3Confident73.6Confident53 Ų5360.8 Ų60.825%0.24832%0.323CS..BIsolated β-bridgetrans-68.1143.9-175.6-70.5-17115700113.7R235 K236 V237R235-E258 WeakPolarHBondContact CD-OE1 3.28Å; R235-E258 IonicContact CZ-OE1 2.76Å; R235-E258 IonicContact NE-OE1 2.59Å; R235-E258 IonicContact NH1-OE1 3.64Å; R235-E258 PolarHBondContact NH1-OE1 3.46Å; K236-E258 CarbonylContact O-C 3.59Å; K236-E258 VanDerWaalsContact O-CA 3.32Å; K236-E258 WeakPolarHBondContact O-CA 3.19Å; V237-E258 HydrophobicContact CG1-CG 4.18Å
259V78.1Confident72.9Confident41 Ų4161.7 Ų61.725%0.24833%0.329CS..  trans-135.594.5-174.4-171.80000113V179 P182 K236 H238V179-V259 HydrophobicContact CG2-CB 4.17Å; V179-V259 HydrophobicContact CG2-CG1 4.42Å; V179-V259 HydrophobicContact CG2-CG2 4.14Å; P182-V259 HydrophobicContact CG-CG2 4.34Å; K236-V259 VanDerWaalsContact CD-O 3.29Å; K236-V259 WeakPolarHBondContact CD-O 3.37Å; K236-V259 VanDerWaalsContact CE-O 3.31Å; K236-V259 WeakPolarHBondContact CE-O 3.29Å; K236-V259 PolarHBondContact NZ-O 3.47Å; K236-V259 PolarHBondContact O-N 3.01Å; H238-V259 HydrophobicContact CB-CG2 3.91Å
260G63Low72.2Confident44 Ų4462.8 Ų62.845%0.45434%0.337SS..SBendtrans179.3158.1167.900000114.5G262 C263G260-G262 PolarHBondContact O-N 2.86Å; G260-C263 PolarHBondContact O-N 3.48Å
261D44Very low71.3Confident184 Ų18462.9 Ų62.998%0.98434%0.338SS*.THydrogen-bonded Turntrans-66.7-1.7-175-58.9-67.5000115.5
262G44.4Very low70.2Confident75 Ų7567.1 Ų67.177%0.77336%0.357SS*.THydrogen-bonded Turntrans-98.2-11.9176.300000115G260 P264G260-G262 PolarHBondContact O-N 2.86Å; G262-P264 WeakPolarHBondContact O-CD 2.96Å
263C38.3Very low69.1Low50 Ų5072.2 Ų72.234%0.33839%0.389SS..SBendtrans-72121.3-177.4-171.50000110.1G260 K265G260-C263 PolarHBondContact O-N 3.48Å; C263-K265 PolarHBondContact O-N 2.99Å; C263-K265 VanDerWaalsContact O-N 3.16Å
264P43.1Very low67.9Low98 Ų9873 Ų7364%0.63639%0.393SS*.  trans-64119.417327.1-32.7000108.3G262 R266G262-P264 WeakPolarHBondContact O-CD 2.96Å; P264-R266 VanDerWaalsContact C-N 3.31Å; P264-R266 WeakPolarHBondContact O-CG 3.46Å; P264-R266 PolarHBondContact O-N 2.97Å
265K52.6Low66.3Low208 Ų20873.7 Ų73.790%0.90440%0.401SS*.  trans-62.591.9179.6-69.3-167.8176.9-167.40110.1C263C263-K265 PolarHBondContact O-N 2.99Å; C263-K265 VanDerWaalsContact O-N 3.16Å
266R59.1Low64.1Low73 Ų7379 Ų7928%0.27543%0.43SS..  trans-56.9146.5179.5-52.7-162.6-170.6-177.72.6109.4E226 E255 P264 R268E226-R266 WeakPolarHBondContact OE1-CD 3.44Å; E226-R266 IonicContact OE1-CZ 2.65Å; E226-R266 IonicContact OE1-NE 2.86Å; E226-R266 IonicContact OE1-NH1 2.82Å; E226-R266 PolarHBondContact OE1-NH1 2.73Å; E255-R266 IonicContact OE1-CZ 3.9Å; E255-R266 IonicContact OE1-NH1 2.75Å; E255-R266 PolarHBondContact OE1-NH1 3.37Å; E255-R266 IonicContact OE1-NH2 2.98Å; E255-R266 PolarHBondContact OE1-NH2 2.98Å; E255-R266 IonicContact OE2-NH1 3.29Å; E255-R266 PolarHBondContact OE2-NH1 3.32Å; P264-R266 VanDerWaalsContact C-N 3.31Å; P264-R266 WeakPolarHBondContact O-CG 3.46Å; P264-R266 PolarHBondContact O-N 2.97Å; R266-R268 VanDerWaalsContact C-N 3.27Å; R266-R268 PolarHBondContact O-N 3.16Å
267K59.7Low61.6Low186 Ų18685.2 Ų85.281%0.80946%0.459SS*.  trans-72.478.1-170.6-69.6178.4179.8171.40111.6I269K267-I269 PolarHBondContact O-N 3.15Å
268R75.7Confident59.2Low104 Ų10492 Ų9239%0.39250%0.5SS..PPolyproline II helixtrans-61118.9171.6-64.7-173.8169.1176.4-6.5109.3E186 W190 D256 R266E186-R268 IonicContact OE2-NH1 2.59Å; W190-R268 HydrophobicContact CB-CB 4.02Å; W190-R268 HydrophobicContact CD2-CB 3.98Å; W190-R268 HydrophobicContact CD2-CG 3.6Å; W190-R268 VanDerWaalsContact CE2-NE 3.3Å; W190-R268 HydrophobicContact CE3-CB 3.97Å; W190-R268 HydrophobicContact CE3-CG 3.6Å; W190-R268 HydrophobicContact CG-CB 4.01Å; W190-R268 HydrophobicContact CG-CG 4.04Å; W190-R268 HydrophobicContact CH2-CG 4.45Å; W190-R268 HydrophobicContact CZ2-CG 4.45Å; W190-R268 HydrophobicContact CZ3-CG 4.04Å; D256-R268 PolarHBondContact O-NH2 3.49Å; R266-R268 VanDerWaalsContact C-N 3.27Å; R266-R268 PolarHBondContact O-N 3.16Å
269I79.4Confident56.4Low39 Ų3995.2 Ų95.220%0.252%0.523CS..EExtended strand (participates in β ladder)trans-93.8125173.8-51.8171.7000107.1W190 V191 P193 I221 A223 K267 A271 L274W190-I269 CarbonylContact C-O 3.58Å; W190-I269 WeakPolarHBondContact CA-O 3.11Å; W190-I269 WeakPolarHBondContact CB-O 3.17Å; V191-I269 HydrophobicContact CG2-CB 4.01Å; V191-I269 HydrophobicContact CG2-CG2 4.5Å; V191-I269 PolarHBondContact N-O 3.35Å; V191-I269 PolarHBondContact O-N 2.85Å; V191-I269 VanDerWaalsContact O-N 3.09Å; P193-I269 HydrophobicContact CG-CD1 4.21Å; I221-I269 HydrophobicContact CG2-CD1 4.19Å; A223-I269 HydrophobicContact CB-CD1 3.68Å; K267-I269 PolarHBondContact O-N 3.15Å; I269-A271 PolarHBondContact O-N 2.87Å; I269-L274 HydrophobicContact CG2-CD1 3.99Å; I269-L274 HydrophobicContact CG2-CG 4.47Å
270S79.4Confident54.4Low31 Ų3199.2 Ų99.222%0.21755%0.548CS..EExtended strand (participates in β ladder)trans-61.1128.7174.7172.80000109.7E188 K272 T273E188-S270 PolarHBondContact OE1-OG 3.25Å; S270-K272 PolarHBondContact O-N 3.45Å; S270-T273 PolarHBondContact O-N 3.35Å; S270-T273 PolarHBondContact O-OG1 2.77Å
271A73.6Confident53.2Low4 Ų4103.2 Ų103.23%0.03357%0.566CS.*G310 helixtrans-61.7-31.9-178.100000112E189 V191 W205 I269 T273 L274 T275E189-A271 HydrophobicContact CB-CB 3.96Å; E189-A271 VanDerWaalsContact O-CB 3.31Å; E189-A271 WeakPolarHBondContact O-CB 3.47Å; E189-A271 PolarHBondContact O-N 2.91Å; V191-A271 HydrophobicContact CG1-CB 4.48Å; W205-A271 HydrophobicContact CZ3-CB 3.87Å; I269-A271 PolarHBondContact O-N 2.87Å; A271-T273 PolarHBondContact O-N 3.35Å; A271-L274 WeakPolarHBondContact O-CB 3.29Å; A271-L274 PolarHBondContact O-N 3.24Å; A271-T275 PolarHBondContact O-OG1 3.22Å
272K68.1Low52.5Low125 Ų12599.5 Ų99.554%0.54355%0.546SS..G310 helixtrans-55.7-39-179.7-60.2172.2-168.3148.20112.2E188 S270 L274 T275E188-K272 WeakPolarHBondContact OE1-CD 3.44Å; E188-K272 WeakPolarHBondContact OE1-CE 3.38Å; E188-K272 IonicContact OE1-NZ 2.64Å; E188-K272 PolarHBondContact OE1-NZ 3.01Å; S270-K272 PolarHBondContact O-N 3.45Å; K272-L274 PolarHBondContact O-N 3.26Å; K272-T275 WeakPolarHBondContact CA-OG1 3.17Å; K272-T275 PolarHBondContact O-N 2.57Å; K272-T275 PolarHBondContact O-OG1 2.81Å; K272-T275 VanDerWaalsContact O-OG1 3.09Å
273T68Low51.9Low110 Ų110103.6 Ų103.668%0.67555%0.545SS*.G310 helixtrans-64.2-7.6178.2-0.40000114.6S270 A271S270-T273 PolarHBondContact O-N 3.35Å; S270-T273 PolarHBondContact O-OG1 2.77Å; A271-T273 PolarHBondContact O-N 3.35Å
274L63.3Low51.6Low29 Ų29109.5 Ų109.515%0.15256%0.56CS.*G310 helixtrans-119.8-3.2-174.4-58.6166.8000113.4M1 A2 V191 I221 I269 A271 K272M1-L274 WeakPolarHBondContact CA-O 3.41Å; M1-L274 WeakPolarHBondContact CB-O 3.31Å; A2-L274 HydrophobicContact CB-CB 3.99Å; A2-L274 HydrophobicContact CB-CD1 4.49Å; A2-L274 PolarHBondContact N-O 3.13Å; A2-L274 VanDerWaalsContact N-O 3.1Å; V191-L274 HydrophobicContact CG2-CD1 3.46Å; V191-L274 VanDerWaalsContact CG2-CD1 3.46Å; I221-L274 HydrophobicContact CD1-CD1 3.57Å; I221-L274 HydrophobicContact CD1-CD2 3.74Å; I221-L274 HydrophobicContact CD1-CG 4.28Å; I221-L274 HydrophobicContact CG1-CD1 4.36Å; I221-L274 HydrophobicContact CG1-CD2 3.56Å; I269-L274 HydrophobicContact CG2-CD1 3.99Å; I269-L274 HydrophobicContact CG2-CG 4.47Å; A271-L274 WeakPolarHBondContact O-CB 3.29Å; A271-L274 PolarHBondContact O-N 3.24Å; K272-L274 PolarHBondContact O-N 3.26Å
275T55.2Low51Low64 Ų64115.3 Ų115.339%0.39357%0.57SS.*THydrogen-bonded Turntrans-116.6-14.7-172.451.60000114.7A2 A271 K272A2-T275 WeakPolarHBondContact O-CG2 3.43Å; A271-T275 PolarHBondContact O-OG1 3.22Å; K272-T275 WeakPolarHBondContact CA-OG1 3.17Å; K272-T275 PolarHBondContact O-N 2.57Å; K272-T275 PolarHBondContact O-OG1 2.81Å; K272-T275 VanDerWaalsContact O-OG1 3.09Å
276D38.5Very low50.1Low136 Ų136110.6 Ų110.673%0.72755%0.554SS**  trans-87.4119.1-162.6-13710.6000113.6M1M1-D276 WeakPolarHBondContact CE-O 3.31Å
277E35.5Very low48.7Very low134 Ų134114.4 Ų114.463%0.62657%0.573SS**  trans-80.1131.8168.1-83-87.597.300109.7M1 T279M1-E277 HydrophobicContact CE-CG 3.87Å; M1-E277 VanDerWaalsContact CE-OE1 3.3Å; M1-E277 WeakPolarHBondContact CE-OE1 3.35Å; M1-E277 HydrophobicContact SD-CG 4.22Å; E277-T279 PolarHBondContact O-N 2.99Å; E277-T279 PolarHBondContact O-OG1 3.41Å; E277-T279 VanDerWaalsContact O-OG1 3.06Å
278V38.3Very low47.2Very low143 Ų143114.5 Ų114.587%0.86757%0.573SS**  trans-66.192.1176.7178.70000110.6
279T27.5Very low45Very low121 Ų121115.8 Ų115.874%0.74260%0.595SS**  trans-106101-177-51.30000110.1E277 P281E277-T279 PolarHBondContact O-N 2.99Å; E277-T279 PolarHBondContact O-OG1 3.41Å; E277-T279 VanDerWaalsContact O-OG1 3.06Å; T279-P281 WeakPolarHBondContact O-CD 3.46Å
280T36.1Very low42.5Very low126 Ų126117.7 Ų117.777%0.77362%0.624SS**  trans-76.1137.3179.454.90000112.9
281P37.8Very low40.1Very low127 Ų127121.5 Ų121.583%0.82565%0.651SS**  trans-120158.5135-3.624.7000114.4T279T279-P281 WeakPolarHBondContact O-CD 3.46Å
282D29.7Very low38Very low106 Ų106125 Ų12557%0.56768%0.68SS**  trans-78.9140.2-178.7-177.85.3000112.3R284D282-R284 WeakPolarHBondContact OD1-CD 3.29Å; D282-R284 IonicContact OD1-CZ 3.93Å; D282-R284 IonicContact OD1-NE 2.7Å; D282-R284 PolarHBondContact OD1-NE 2.63Å; D282-R284 IonicContact OD2-CZ 2.73Å; D282-R284 IonicContact OD2-NE 3.8Å; D282-R284 PolarHBondContact OD2-NE 2.74Å; D282-R284 IonicContact OD2-NH2 3.25Å; D282-R284 PolarHBondContact OD2-NH2 3.38Å
283E30.6Very low36.3Very low162 Ų162127.5 Ų127.576%0.75769%0.691SS**  trans-154.5153.8134.2-113.7-69.36000111.9
284R32.2Very low34.3Very low173 Ų173130.4 Ų130.465%0.65369%0.694SS**  trans-100.4164.4179.2-43.689.9-179.2-138.46.4107.6D282D282-R284 WeakPolarHBondContact OD1-CD 3.29Å; D282-R284 IonicContact OD1-CZ 3.93Å; D282-R284 IonicContact OD1-NE 2.7Å; D282-R284 PolarHBondContact OD1-NE 2.63Å; D282-R284 IonicContact OD2-CZ 2.73Å; D282-R284 IonicContact OD2-NE 3.8Å; D282-R284 PolarHBondContact OD2-NE 2.74Å; D282-R284 IonicContact OD2-NH2 3.25Å; D282-R284 PolarHBondContact OD2-NH2 3.38Å
285R31.5Very low32.8Very low221 Ų221139.5 Ų139.583%0.83473%0.726SS**  cis-146.817921.3-71.4-175.3166.9140.7-1.8107.6
286D32.2Very low31.4Very low109 Ų109145.9 Ų145.958%0.58375%0.749SS**  cis-162.4172.633.7-140.4-20.2000116
287K30.8Very low30.9Very low153 Ų153150.5 Ų150.567%0.66576%0.756SS**  trans-17.2149.9170.8-62.2139-160.91360118
288K27.9Very low30.5Very low188 Ų188149.1 Ų149.182%0.81776%0.761SS**  cis-172.41412.6-117.6175.6179.1178.50110.8
289P29.7Very low30.4Very low130 Ų130148.2 Ų148.284%0.84476%0.758SS**PPolyproline II helixtrans-103.7167.7160.536.5-31.3000113.7
290G26.5Very low30.3Very low79 Ų79147.8 Ų147.881%0.81476%0.76SS**PPolyproline II helixtrans-80.6164.2-178.500000116
291S29.7Very low30.1Very low111 Ų111147.9 Ų147.978%0.77676%0.762SS**PPolyproline II helixtrans-79.2163.4-179.360.40000113.5
292A29.7Very low29.6Very low77 Ų77147.1 Ų147.164%0.63676%0.76SS**  cis-153.9140.530.600000113.8
293K31.2Very low30.1Very low178 Ų178147.3 Ų147.377%0.77477%0.767SS**  56.6131.1102.7-61.7170.7-176.8162.30114.3
294K26.8Very low30Very low172 Ų172145.8 Ų145.875%0.74877%0.769SS**  cis-163.4171.111.1-101.5160.6-177.7177.70106.4
295R30.8Very low30.2Very low220 Ų220143.2 Ų143.283%0.8378%0.775SS**  cis-165.1157.126.2-138.1164178.2168.5-5.5111
296K27.1Very low31.2Very low198 Ų198138 Ų13886%0.86177%0.77SS**  trans-11.2139.2168.4-55.6-176.8175.4-168.40119.7
297R27.1Very low31.4Very low233 Ų233138.7 Ų138.788%0.87978%0.78SS**  cis90.4113.145.4-103.1-160.8-178.7-158.81.8116.7
298S26.9Very low31.2Very low104 Ų104139.2 Ų139.273%0.72779%0.785SS**  trans61163.8140.960.50000121.2
299P36.5Very low31.1Very low124 Ų124138 Ų13881%0.80578%0.782SS**  cis-131-170.9-3.935.6-14.3000115.6
300S26.1Very low31.2Very low113 Ų113135.4 Ų135.479%0.7977%0.767SS**  trans-69.9168.2174.4-36.80000114.5
301P31.8Very low31.4Very low127 Ų127140 Ų14083%0.82576%0.764SS**  -155.1-174.194.243.4-25.4000116.8
302S27.4Very low31.7Very low112 Ų112143.7 Ų143.778%0.78377%0.767SS**  trans-115.1178.2160.3-46.60000108.9
303P40.5Very low31.9Very low109 Ų109147.2 Ų147.271%0.70877%0.767SS**  cis-136.4-153.6-0.942.2-21.5000114
304T27.7Very low32Very low130 Ų130144.8 Ų144.880%0.79876%0.763SS**  trans77.1157.9158.9420000120.7
305P36Very low32.2Very low119 Ų119141.4 Ų141.477%0.77376%0.757SS**  trans-122.8-145.3-150.440.5-20.6000116.4
306P52.6Low32.4Very low113 Ų113140.4 Ų140.473%0.73476%0.759SS**  -94178.4-11943.5-31.5000115.9
307P36.4Very low32.6Very low122 Ų122140.3 Ų140.379%0.79276%0.758SS**  -150.1169.1106.439.3-22.6000118.7
308Q27.3Very low32.6Very low165 Ų165132.5 Ų132.577%0.77175%0.75SS**  trans-20.4146.9171.8-60.2176.9-94.400123.9
309E25.5Very low33.5Very low163 Ų163133.3 Ų133.376%0.76275%0.753SS**  trans20.9150131.6-39.5-176.587.600121.6
310S32.2Very low33.3Very low74 Ų74133 Ų13352%0.51775%0.749SS.*  178.8159.851.559.10000115.6
311K30.1Very low33.5Very low175 Ų175132.6 Ų132.676%0.76174%0.742SS**  trans69.9150.3155-67.4146.2-162.3144.50116.2
312K35.1Very low34Very low190 Ų190132.3 Ų132.383%0.82674%0.74SS**  cis-156.717714.6-130.6164-171.8174.30107.4
313K34.6Very low34Very low150 Ų150136.6 Ų136.665%0.65274%0.74SS**  cis-159.2-32.910.7172.5177.5154.2-78.90115.2
314N33.6Very low33.5Very low127 Ų127136.5 Ų136.568%0.67974%0.738SS**  trans-100.1172.2-146-68.2-21.2000115.8
315T30.6Very low33.5Very low102 Ų102139 Ų13963%0.62674%0.738SS**  -174.9145.1-76.332.50000112.1
316K35Very low33.1Very low198 Ų198139 Ų13986%0.86174%0.74SS**  trans73.9133.4170.1-75.2-178.3176.4174.70116.8
317K31.2Very low31.9Very low197 Ų197142.7 Ų142.786%0.85775%0.745SS**  cis-134.9159.4-7.5-67.5-173.6-179.2173.80109.9
318G26.7Very low31.4Very low68 Ų68147.7 Ų147.770%0.70175%0.748SS**  trans-106.8-145.9172.100000112.6
319P46.8Very low31.3Very low122 Ų122142.7 Ų142.779%0.79274%0.741SS**  cis-91.7-150.61.838.4-33000112.3
320T31.3Very low31.3Very low116 Ų116143.2 Ų143.271%0.71274%0.743SS**  cis-156.1153.45.5-4.30000105.6
321T31.9Very low31Very low106 Ų106148.4 Ų148.465%0.6575%0.751SS**  cis74.914315.170.70000117.3
322P42.7Very low30.8Very low120 Ų120145.7 Ų145.778%0.77974%0.741SS**  cis-115.4150.2-3.114.810000114.2
323Y27.3Very low30.3Very low202 Ų202144.3 Ų144.379%0.79274%0.738SS**  8713758.4-99.7-128.9000116.7
324T29.2Very low29.9Very low108 Ų108145 Ų14566%0.66374%0.743SS**  cis-146.9-85.1-16.78.30000116.5
325K27Very low29.5Very low182 Ų182146.2 Ų146.279%0.79175%0.745SS**  cis-155.629.35.6-148.7-172.6170.2-176.30118.3
326S27.6Very low29.4Very low119 Ų119148.7 Ų148.783%0.83275%0.75SS**  trans75.1173.816479.80000119.5
327K27.6Very low28.9Very low190 Ų190146.9 Ų146.983%0.82674%0.744SS**  cis-167.3157.411.8-148.7175-179.1177.30114.8
328R25.6Very low28.8Very low227 Ų227144.3 Ų144.386%0.85774%0.739SS**  trans70.9145.9150.2-154.4-179.2-165.1175.42.1118.2
329G25.6Very low28.8Very low60 Ų60145.5 Ų145.562%0.61974%0.737SS**  cis146.1144.3-15.600000115.1
330Q26.4Very low28.2Very low175 Ų175148 Ų14882%0.81874%0.735SS**  trans70.2161.6175.3-68.1177.7-75.200116.7
331R24.8Very low28Very low182 Ų182147.8 Ų147.869%0.68773%0.73SS**  cis-172.9135.3-26.4172.4-177.5-175.5-126.4-8.5109.4
332E26Very low28Very low118 Ų118149.8 Ų149.855%0.55174%0.736SS**  trans63.7156.6158.3-76.8155.4-156.400124.1
333E25.3Very low27.3Very low161 Ų161150.8 Ų150.875%0.75273%0.734SS**  trans69.1105.8149.3-75.9158.1-165.500122.4
334E25.6Very low27.2Very low164 Ų164149.5 Ų149.577%0.76674%0.736SS**  43.7128.6121.3-61.7-177.9165.200122.2
335Q25.3Very low27.1Very low154 Ų154148.8 Ų148.872%0.7274%0.741SS**  trans51.1145.4132.2-67.4175.6-48.400120.3
336E27.7Very low27.1Very low154 Ų154145.3 Ų145.372%0.7274%0.739SS**  cis-155.9-169.612.5-134.8162.4-156.300112.6
337E25.1Very low27.5Very low160 Ų160145 Ų14575%0.74874%0.735SS**  trans11.2129.7166.6-64.3-149.7126.800122.1
338L30.1Very low27.4Very low142 Ų142142.4 Ų142.474%0.74374%0.735SS**  cis92.6114.549-167.8114.7000114.1
339S26.8Very low28.1Very low94 Ų94137.5 Ų137.566%0.65773%0.732SS**  trans168.7125.8134.3-82.80000115.9
340K34.1Very low27.9Very low174 Ų174139 Ų13976%0.75774%0.739SS**  trans64.8151133.5-68175.7155-77.70120.5
341D27.2Very low27.9Very low112 Ų112135.1 Ų135.160%0.59973%0.731SS**  cis-156.1163.5-4.6-122.5-37.2000111.2
342L30.5Very low28Very low147 Ų147135.2 Ų135.277%0.7774%0.739SS**  trans64.7158.7165.7-66.8156.2000116.7
343D28Very low28Very low141 Ų141138.2 Ų138.275%0.75475%0.753SS**  cis-145.3-165.915-139.5-48.3000113.6
344E26.3Very low28.1Very low175 Ų175133.6 Ų133.682%0.81875%0.749SS**  trans-101.6157.3-147.7-178.9159.812300120.5
345A25.9Very low28.1Very low94 Ų94133 Ų13378%0.77775%0.751SS**  trans77156.8150.200000125.2
346S26.9Very low28.1Very low108 Ų108131.1 Ų131.176%0.75575%0.75SS**  trans-113.8153.3166.7-164.50000108.2
347P36Very low28.2Very low114 Ų114127.5 Ų127.574%0.7475%0.746SS**  -155.3159.189.738.6-19.1000117.9
348V26.4Very low28.4Very low135 Ų135128.8 Ų128.882%0.81875%0.749SS**  trans49.9133141.1-178.80000120.9
349P39.9Very low28.3Very low123 Ų123127.1 Ų127.180%0.79975%0.745SS**  trans-98.7167.1-170.139.8-38.3000116.7
350A22.1Very low28.3Very low92 Ų92129.3 Ų129.376%0.7675%0.75SS**  trans-154.8153.316300000114.1
351S25.6Very low28.2Very low94 Ų94127.2 Ų127.266%0.65775%0.747SS**  trans54117.515257.90000123.4
352E26.3Very low28.4Very low183 Ų183127.4 Ų127.486%0.85575%0.752SS**  67.4160126.9-64169137.900119.6
353E27.3Very low28.5Very low181 Ų181129.4 Ų129.485%0.84676%0.755SS**  cis-155.7175.24.8-142.6-164.3142.200111.8
354G26.3Very low28.7Very low65 Ų65130.4 Ų130.467%0.6775%0.752SS**  trans98.4106.8160.600000117.5
355N25.6Very low28.7Very low151 Ų151127.7 Ų127.781%0.80774%0.744SS**  76.4133.756.1-144.36.1000112
356T26.3Very low28.8Very low115 Ų115128.5 Ų128.571%0.70674%0.743SS**  cis-155157.535.3580000116.1
357A29.3Very low28.9Very low77 Ų77131.5 Ų131.564%0.63675%0.745SS**  trans71.7145.8141.900000121.8
358K29.9Very low28.7Very low187 Ų187131 Ų13181%0.81375%0.745SS**  cis-172170.9-6.9-105.7168.7-170167.40106.9
359T27.4Very low29.1Very low107 Ų107129.9 Ų129.966%0.65674%0.739SS**  cis-162.9156.57.7-0.70000110.6
360N27.9Very low29.1Very low141 Ų141129.9 Ų129.975%0.75474%0.739SS**  trans67.9141.9141.3-73.47.2000123.1
361N31.1Very low29.3Very low130 Ų130131.2 Ų131.270%0.69574%0.737SS**  cis-165.2164.1-15.6-161.813.2000114.3
362T32.2Very low29.5Very low115 Ų115136.6 Ų136.671%0.70675%0.748SS**  trans87.7137.4163.373.40000116.9
363K32.1Very low29.5Very low189 Ų189132 Ų13282%0.82275%0.75SS**  cis-151.8148.513-149.2178.3-178.9-178.80112.1
364K32.3Very low29.5Very low162 Ų162126.6 Ų126.670%0.70474%0.743SS**  trans4146.8151.2-71.6-168.7138.9-69.30119
365D25.5Very low29.5Very low119 Ų119129.7 Ų129.764%0.63675%0.749SS**  cis-167.31698-90.2-25.1000106.8
366S28.3Very low29.6Very low111 Ų111129.5 Ų129.578%0.77675%0.748SS**  cis-166.5-178.3-17.557.40000110
367E29.5Very low29.8Very low170 Ų170131.1 Ų131.179%0.79475%0.75SS**  trans-101-172.9177.6-115.817982.700112.2
368S31.5Very low29.8Very low105 Ų105133.4 Ų133.473%0.73475%0.751SS**  cis-155.2174.631.8-59.60000115.1
369T34.4Very low30.1Very low111 Ų111132.4 Ų132.468%0.68175%0.749SS**  trans-86173.5168.8620000113.1
370P40.5Very low30.2Very low123 Ų123133.7 Ų133.780%0.79975%0.748SS**  -137.9178.282.223.4-0.6000113.5
371V27.5Very low30.4Very low119 Ų119134.2 Ų134.272%0.72175%0.746SS**  cis116.9118.8-4.5175.80000117.4
372K28.7Very low30.3Very low207 Ų207134.7 Ų134.790%0.975%0.748SS**  trans78.9124.3160.2-93.9-176.3175.1179.80123.4
373G26.7Very low30.4Very low86 Ų86136.3 Ų136.389%0.88775%0.748SS**  trans84.6150.1150.500000117
374G27.7Very low30.3Very low69 Ų69132.3 Ų132.371%0.71174%0.744SS**  cis155.1136.1-11.900000114.1
375T26.2Very low30.5Very low129 Ų129132.2 Ų132.279%0.79175%0.748SS**  trans82.4121.1160.2-49.80000119.6
376D26.7Very low30.7Very low147 Ų147134 Ų13479%0.78675%0.752SS**  trans65.6139.9147.4-61.2-9.4000126.7
377M31.5Very low30.8Very low150 Ų150133.6 Ų133.674%0.73975%0.745SS**  trans70111144.6-61.1-102.574.300123.5
378D29Very low30.8Very low125 Ų125131.6 Ų131.667%0.66875%0.745SS**  47.8141.5128.3-80.2-22.5000125.8
379E35.8Very low30.6Very low165 Ų165129.9 Ų129.977%0.77174%0.743SS**  trans64.9151.5149.5-68.6176.9159.400118
380Q30Very low30.6Very low134 Ų134132.4 Ų132.463%0.62675%0.745SS**  cis-161158.711.4-139.2176.8-24.700110.7
381E31.4Very low30.2Very low153 Ų153133 Ų13372%0.71574%0.737SS**  trans51150.6140.8-86.2156.1-137.300123
382D29.4Very low30.3Very low139 Ų139135.8 Ų135.874%0.74374%0.742SS**  cis-159.8-173.4-3.6-150.1-1.5000114.7
383E33.7Very low30.5Very low149 Ų149135 Ų13570%0.69674%0.742SS**  trans-50.2170-172.1-79.2-161.2110.700124.6
384S31.2Very low30.6Very low105 Ų105138.5 Ų138.573%0.73474%0.735SS**  trans94.1154.4143.580.20000119.7
385M36.3Very low30.6Very low161 Ų161138 Ų13879%0.79373%0.73SS**  cis-176.9166.3-17.7-100.9175.1-160.600107.4
386E29.2Very low30.6Very low156 Ų156137 Ų13773%0.72973%0.728SS**  cis-172.9172.1-30.2-142.3-66.19000108
387T30Very low30.9Very low103 Ų103136 Ų13663%0.63273%0.73SS**  trans80.9159.6164.583.20000118.4
388T30Very low30.9Very low128 Ų128134.4 Ų134.479%0.78573%0.733SS**  cis-156.6154.9-3.2-10000113.6
389G27.3Very low31.2Very low68 Ų68134.9 Ų134.970%0.70174%0.74SS**  trans102.6158.7143.500000119.2
390K34.1Very low31.2Very low164 Ų164135.7 Ų135.771%0.71374%0.742SS**  177160.5-52.7-101.2-179.4176.7-71.50108.9
391E30.9Very low31.2Very low135 Ų135132.7 Ų132.763%0.63175%0.747SS**  cis-116.8-98.1-3-171.577.1-83.900111.3
392E30.7Very low31.3Very low179 Ų179133.2 Ų133.284%0.83675%0.749SS**  cis-137.7-98.7-4-64.1-172110.600111.2
393E32.2Very low32.3Very low189 Ų189132.2 Ų132.288%0.88375%0.75SS**  trans-141165.1178.5-69.8-168.1101.500109.5
394E28.7Very low32.3Very low160 Ų160132.1 Ų132.175%0.74876%0.759SS**  cis-109-164.17-138.8-142.2114.800109.9S396E394-S396 WeakPolarHBondContact OE1-CB 3.23Å; E394-S396 PolarHBondContact OE1-N 2.94Å; E394-S396 PolarHBondContact OE1-OG 3.29Å
395G27.9Very low32.6Very low59 Ų59136.3 Ų136.361%0.60876%0.764SS**  cis170.1-155.5900000119.5P397G395-P397 WeakPolarHBondContact O-CD 3.39Å
396S27.6Very low32.3Very low107 Ų107133.4 Ų133.475%0.74876%0.76SS**  trans-73.1121.4-158.2-60.80000115.3E394E394-S396 WeakPolarHBondContact OE1-CB 3.23Å; E394-S396 PolarHBondContact OE1-N 2.94Å; E394-S396 PolarHBondContact OE1-OG 3.29Å
397P31.6Very low32.7Very low128 Ų128130.7 Ų130.783%0.83176%0.758SS**  -123.7163114.336.3-34.4000113.4G395G395-P397 WeakPolarHBondContact O-CD 3.39Å
398S32.8Very low32.8Very low115 Ų115133.7 Ų133.780%0.80477%0.77SS**  trans-137.1143.7170.6-158.40000106.5
399V34.3Very low33.6Very low135 Ų135135.5 Ų135.582%0.81877%0.774SS**  cis-148152.445.9164.40000111.3
400K35.4Very low34.3Very low183 Ų183141 Ų14180%0.79678%0.781SS**  trans-80.8159.9173.2-53174.9-179.1179.60111.4
401G31.6Very low34.8Very low71 Ų71142 Ų14273%0.73279%0.788SS**  cis-166.9-140.68.200000107.4
402E33.1Very low35.5Very low164 Ų164143.1 Ų143.177%0.76680%0.799SS**  cis-167.8169.5-12.1-112.7153.761.600107.6
403P50Low36.4Very low118 Ų118141.9 Ų141.977%0.76680%0.798SS**  trans-107.5160-138.939.2-39.4000119.3
404V33.1Very low37.5Very low147 Ų147139.2 Ų139.289%0.89179%0.794SS**  trans-138.6145.6157.5-171.70000111.8
405K37.8Very low38.9Very low193 Ų193136 Ų13684%0.83979%0.785SS**  trans-55161.4171.5-74.5171-177.9176.50114.1
406S30.2Very low40.6Very low100 Ų100141.7 Ų141.770%0.69980%0.796SS**  cis-170.4171.6-1.941.70000111.2
407S37Very low42.6Very low99 Ų99143 Ų14369%0.69279%0.791SS**  trans61.496.3153.761.20000118.8
408D32.8Very low44.8Very low165 Ų165142.2 Ų142.288%0.88278%0.784SS**  -146.6152116.5-98.2-44.1000108.9
409L45.5Very low47.3Very low166 Ų166140 Ų14087%0.86976%0.761SS**  trans-142.254.1-171.8-80.1175.8000112.2
410H43.4Very low49.9Very low184 Ų184141.7 Ų141.785%0.85276%0.759SS**SBendtrans-154.318.7174.7-138.7-62.6000117.9
411E44.1Very low52.7Low185 Ų185134.8 Ų134.886%0.86473%0.731SS**  trans-109.9-4.3178.4-62.8-156.9134.600115.3N413E411-N413 PolarHBondContact O-N 3.09Å
412D46.7Very low55.6Low159 Ų159136.2 Ų136.285%0.8572%0.72SS**  trans-78.782.4176.4-74.9-44.3000112.5
413N49.2Very low58.6Low152 Ų152131.7 Ų131.781%0.81370%0.701SS**  trans-143.624.2153.3-114.2-101.9000112.5E411 T415E411-N413 PolarHBondContact O-N 3.09Å; N413-T415 PolarHBondContact O-N 3.35Å; N413-T415 VanDerWaalsContact O-N 3.07Å
414V55.3Low60.8Low133 Ų133126.5 Ų126.581%0.80667%0.667SS**  trans-76.490.1166.7-176.40000108E416V414-E416 PolarHBondContact O-N 2.84Å
415T57.5Low63.7Low92 Ų92125 Ų12556%0.56466%0.663SS**  trans-57.7132.4171.951.30000110.1N413 Q417N413-T415 PolarHBondContact O-N 3.35Å; N413-T415 VanDerWaalsContact O-N 3.07Å; T415-Q417 PolarHBondContact O-N 3.31Å
416E63.1Low66.5Low180 Ų180121.6 Ų121.684%0.84165%0.646SS**  trans-54.3124.8178.1-67-168.8145.600110.9V414 T418V414-E416 PolarHBondContact O-N 2.84Å; E416-T418 PolarHBondContact O-N 3.44Å
417Q70.1Confident69.7Low134 Ų134116.9 Ų116.963%0.62661%0.613SS**  trans-78.787.1-172.2-167.7-169.5-46.100110.8T415 H419T415-Q417 PolarHBondContact O-N 3.31Å; Q417-H419 WeakPolarHBondContact CG-O 3.33Å; Q417-H419 PolarHBondContact NE2-O 3.24Å; Q417-H419 PolarHBondContact O-N 2.73Å
418T78.2Confident72.5Confident111 Ų111116.2 Ų116.268%0.68161%0.613SS**  trans-64.9-19.3-178.851.20000114.9E416E416-T418 PolarHBondContact O-N 3.44Å
419H84.9Confident75.5Confident70 Ų70110.7 Ų110.732%0.32458%0.58SS.*SBendtrans-124.9140.8-175.3-63105.5000113Q417 I421 L472 P474Q417-H419 WeakPolarHBondContact CG-O 3.33Å; Q417-H419 PolarHBondContact NE2-O 3.24Å; Q417-H419 PolarHBondContact O-N 2.73Å; H419-I421 PolarHBondContact O-N 3.07Å; H419-L472 PolarHBondContact CE1-O 2.85Å; H419-L472 PolarHBondContact ND1-O 3.31Å; H419-L472 VanDerWaalsContact ND1-O 3.12Å; H419-P474 HydrophobicContact CB-CG 3.63Å
420H88.9Confident78Confident170 Ų170104.2 Ų104.279%0.78754%0.544SS*.  trans-70.2116.8169.5-69.1-63.5000110.8Q510H420-Q510 PolarHBondContact O-NE2 3.06Å
421I93.1Very high80.5Confident38 Ų3899 Ų9920%0.19552%0.523CS..  trans-91.2124.5178.2-55.2-60.2000109.7H419 I423 R471 P474H419-I421 PolarHBondContact O-N 3.07Å; I421-I423 HydrophobicContact CG2-CG1 4.22Å; I421-R471 HydrophobicContact CD1-CB 4Å; I421-R471 HydrophobicContact CD1-CG 3.82Å; I421-R471 HydrophobicContact CG1-CB 4.38Å; I421-R471 HydrophobicContact CG1-CG 3.93Å; I421-R471 HydrophobicContact CG2-CG 4.42Å; I421-P474 HydrophobicContact CD1-CB 3.83Å; I421-P474 HydrophobicContact CD1-CG 3.85Å
422I94.3Very high82.9Confident100 Ų10094.1 Ų94.151%0.51350%0.497SS..  trans-104.8121.1179.1-58.7174.2000108.5Y509 Q510I422-Y509 HydrophobicContact CG2-CD1 4.19Å; I422-Y509 HydrophobicContact CG2-CE1 3.93Å; I422-Y509 WeakPolarHBondContact O-CD1 3.4Å; I422-Q510 HydrophobicContact CB-CG 3.93Å; I422-Q510 HydrophobicContact CD1-CG 4.34Å; I422-Q510 HydrophobicContact CG1-CG 4.33Å
423I94.5Very high85.2Confident70 Ų7092.8 Ų92.836%0.35949%0.49SS..  trans-112.7135.3177.4-60.8178.8000108.7I421 A427 L506I421-I423 HydrophobicContact CG2-CG1 4.22Å; I423-A427 HydrophobicContact CG2-CB 3.84Å; I423-L506 HydrophobicContact CG2-CD2 4.17Å
424P96.2Very high87.4Confident8 Ų888.6 Ų88.65%0.05247%0.473CS..  trans-62.6145.6176.7-19.930.2000112.9Y426 A427 G505 Y509P424-Y426 HydrophobicContact CB-CD1 3.79Å; P424-Y426 HydrophobicContact CB-CD2 4.12Å; P424-Y426 HydrophobicContact CB-CE1 3.38Å; P424-Y426 HydrophobicContact CB-CE2 3.73Å; P424-Y426 HydrophobicContact CB-CG 4.14Å; P424-Y426 HydrophobicContact CG-CE1 4.18Å; P424-Y426 HydrophobicContact CG-CE2 4.06Å; P424-Y426 PolarHBondContact O-N 3.26Å; P424-Y426 VanDerWaalsContact O-N 3.14Å; P424-A427 HydrophobicContact CB-CB 4.49Å; P424-A427 WeakPolarHBondContact O-CB 3.05Å; P424-A427 PolarHBondContact O-N 2.83Å; P424-G505 WeakPolarHBondContact CD-O 3.43Å; P424-Y509 HydrophobicContact CG-CD1 4.19Å; P424-Y509 HydrophobicContact CG-CD2 3.89Å; P424-Y509 HydrophobicContact CG-CE1 4.03Å; P424-Y509 HydrophobicContact CG-CE2 3.74Å; P424-Y509 HydrophobicContact CG-CG 4.13Å
425S95.8Very high89.3Confident115 Ų11583 Ų8380%0.80444%0.439SS*.G310 helixtrans-58.2-30.8179.655.80000114A427 A428S425-A427 PolarHBondContact O-N 3.02Å; S425-A428 WeakPolarHBondContact O-CB 3.44Å; S425-A428 PolarHBondContact O-N 2.75Å
426Y95.6Very high91.2Very high123 Ų12382 Ų8248%0.48243%0.428SS..G310 helixtrans-73.9-11.9175.859-105.2000114P424 W429 W504P424-Y426 HydrophobicContact CB-CD1 3.79Å; P424-Y426 HydrophobicContact CB-CD2 4.12Å; P424-Y426 HydrophobicContact CB-CE1 3.38Å; P424-Y426 HydrophobicContact CB-CE2 3.73Å; P424-Y426 HydrophobicContact CB-CG 4.14Å; P424-Y426 HydrophobicContact CG-CE1 4.18Å; P424-Y426 HydrophobicContact CG-CE2 4.06Å; P424-Y426 PolarHBondContact O-N 3.26Å; P424-Y426 VanDerWaalsContact O-N 3.14Å; Y426-W429 PolarHBondContact O-NE1 3.32Å; Y426-W504 AromaticContact CD2-CE3 3.77Å; Y426-W504 HydrophobicContact CD2-CE3 3.77Å; Y426-W504 AromaticContact CD2-CZ3 3.94Å; Y426-W504 HydrophobicContact CD2-CZ3 3.94Å; Y426-W504 HydrophobicContact CE2-CE3 4.21Å; Y426-W504 WeakPolarHBondContact O-CZ3 3.32Å
427A96.8Very high92.9Very high1 Ų176 Ų761%0.00841%0.408CS..G310 helixtrans-99.62.1178.100000113.3I423 P424 S425 W429 F430 W504 L506I423-A427 HydrophobicContact CG2-CB 3.84Å; P424-A427 HydrophobicContact CB-CB 4.49Å; P424-A427 WeakPolarHBondContact O-CB 3.05Å; P424-A427 PolarHBondContact O-N 2.83Å; S425-A427 PolarHBondContact O-N 3.02Å; A427-W429 PolarHBondContact O-N 3.36Å; A427-F430 WeakPolarHBondContact O-CB 3.14Å; A427-F430 PolarHBondContact O-N 2.75Å; A427-W504 VanDerWaalsContact CB-O 3.29Å; A427-W504 WeakPolarHBondContact CB-O 3.23Å; A427-L506 HydrophobicContact CB-CD2 4.09Å
428A96Very high94.1Very high84 Ų8471.3 Ų71.369%0.69439%0.387SS*.THydrogen-bonded Turntrans-63.5-0.1179.300000115.3S425 F430S425-A428 WeakPolarHBondContact O-CB 3.44Å; S425-A428 PolarHBondContact O-N 2.75Å; A428-F430 VanDerWaalsContact C-N 3.33Å
429W96.4Very high95.1Very high50 Ų5066 Ų6619%0.18936%0.355CS..THydrogen-bonded Turntrans-79.8-13.9168.359.8-100.8000113.2Y426 A427 H436 I438 E439 F500 W504 L506Y426-W429 PolarHBondContact O-NE1 3.32Å; A427-W429 PolarHBondContact O-N 3.36Å; W429-H436 AromaticContact CD2-ND1 3.47Å; W429-H436 HydrophobicContact CE3-CB 3.68Å; W429-H436 AromaticContact CE3-CG 3.61Å; W429-H436 AromaticContact CE3-ND1 3.05Å; W429-H436 AromaticContact CG-CE1 3.98Å; W429-H436 AromaticContact CG-ND1 3.84Å; W429-H436 HydrophobicContact CZ3-CB 3.92Å; W429-H436 AromaticContact CZ3-ND1 3.83Å; W429-I438 HydrophobicContact CD2-CD1 3.88Å; W429-I438 HydrophobicContact CG-CD1 3.93Å; W429-I438 HydrophobicContact CH2-CB 4.32Å; W429-I438 HydrophobicContact CH2-CG2 4.11Å; W429-I438 HydrophobicContact CZ2-CB 4.27Å; W429-I438 HydrophobicContact CZ2-CD1 4.39Å; W429-I438 HydrophobicContact CZ2-CG2 3.84Å; W429-I438 HydrophobicContact CZ3-CB 4.45Å; W429-E439 HydrophobicContact CH2-CG 3.88Å; W429-E439 HydrophobicContact CZ3-CG 3.69Å; W429-F500 HydrophobicContact CH2-CE1 4.33Å; W429-F500 AromaticContact CH2-CZ 3.88Å; W429-F500 HydrophobicContact CH2-CZ 3.88Å; W429-F500 HydrophobicContact CZ2-CZ 4.43Å; W429-W504 AromaticContact CE2-CE3 3.91Å; W429-W504 HydrophobicContact CZ2-CB 4.45Å; W429-W504 AromaticContact CZ2-CD2 3.61Å; W429-W504 HydrophobicContact CZ2-CD2 3.61Å; W429-W504 AromaticContact CZ2-CE2 3.94Å; W429-W504 AromaticContact CZ2-CE3 3.84Å; W429-W504 HydrophobicContact CZ2-CE3 3.84Å; W429-W504 AromaticContact CZ2-CG 3.86Å; W429-W504 HydrophobicContact CZ2-CG 3.86Å; W429-W504 HydrophobicContact CZ2-CZ2 4.47Å; W429-W504 HydrophobicContact CZ2-CZ3 4.38Å; W429-W504 AromaticContact NE1-CE3 3.34Å; W429-W504 VanDerWaalsContact NE1-CE3 3.34Å; W429-W504 AromaticContact NE1-CH2 3.8Å; W429-W504 AromaticContact NE1-CZ3 3.22Å; W429-L506 HydrophobicContact CH2-CD1 4.43Å
430F97.3Very high95.6Very high29 Ų2968.3 Ų68.313%0.12736%0.361CS..  trans-73.2129.1-177174.8-96.7000111.7A427 A428 I467 L506A427-F430 WeakPolarHBondContact O-CB 3.14Å; A427-F430 PolarHBondContact O-N 2.75Å; A428-F430 VanDerWaalsContact C-N 3.33Å; F430-I467 HydrophobicContact CE1-CD1 3.86Å; F430-I467 HydrophobicContact CE2-CD1 3.76Å; F430-I467 HydrophobicContact CZ-CD1 3.25Å; F430-L506 HydrophobicContact CB-CD1 4.12Å; F430-L506 HydrophobicContact CB-CD2 3.74Å; F430-L506 HydrophobicContact CD1-CD2 3.93Å; F430-L506 HydrophobicContact CD2-CD1 3.69Å; F430-L506 HydrophobicContact CD2-CD2 4.38Å; F430-L506 HydrophobicContact CE2-CD1 4.33Å; F430-L506 HydrophobicContact CG-CD1 3.88Å; F430-L506 HydrophobicContact CG-CD2 3.73Å; F430-L506 HydrophobicContact CG-CG 4.47Å
431D96.3Very high96Very high75 Ų7569.2 Ų69.240%0.40136%0.357SS..  trans-120.1130.6173.1173.33000108.1N433 S434 R463D431-N433 VanDerWaalsContact C-N 3.29Å; D431-N433 PolarHBondContact O-N 2.7Å; D431-N433 PolarHBondContact OD1-N 2.76Å; D431-S434 WeakPolarHBondContact OD2-CB 3.27Å; D431-S434 PolarHBondContact OD2-N 2.79Å; D431-R463 PolarHBondContact O-NH1 3.33Å; D431-R463 PolarHBondContact O-NH2 3.15Å
432Y94.6Very high96.1Very high82 Ų8269.9 Ų69.932%0.32237%0.368SS..SBendtrans-68.7-26.3179.8178.6-95.8000113.2R463 N464 D468Y432-R463 PolarHBondContact O-NH2 3.42Å; Y432-N464 HydrophobicContact CD2-CB 4.45Å; Y432-N464 WeakPolarHBondContact CE1-ND2 3.46Å; Y432-N464 HydrophobicContact CE2-CB 3.61Å; Y432-N464 VanDerWaalsContact CE2-CG 3.42Å; Y432-N464 WeakPolarHBondContact CE2-ND2 3.44Å; Y432-N464 PolarHBondContact O-ND2 2.92Å; Y432-N464 VanDerWaalsContact O-ND2 3.09Å; Y432-N464 PolarHBondContact OH-ND2 2.92Å; Y432-D468 WeakPolarHBondContact CE2-OD1 3.32Å; Y432-D468 WeakPolarHBondContact CE2-OD2 3.3Å; Y432-D468 PolarHBondContact OH-OD2 3.3Å
433N94.9Very high96.2Very high132 Ų13265.5 Ų65.571%0.70635%0.346SS*.SBendtrans-99.5-15.6-176.1-64.184.4000113.6D431D431-N433 VanDerWaalsContact C-N 3.29Å; D431-N433 PolarHBondContact O-N 2.7Å; D431-N433 PolarHBondContact OD1-N 2.76Å
434S95.5Very high96.3Very high63 Ų6365.6 Ų65.644%0.44135%0.351SS..SBendtrans-127.9152.7-177.4-166.70000113.5D431 R463D431-S434 WeakPolarHBondContact OD2-CB 3.27Å; D431-S434 PolarHBondContact OD2-N 2.79Å; S434-R463 PolarHBondContact O-NH1 3.02Å; S434-R463 PolarHBondContact O-NH2 3.13Å
435V96.3Very high96.2Very high17 Ų1766.8 Ų66.810%0.10336%0.356CS..  trans-104.4106.8179.8-1770000111.3E439 R440 F447 Y459 L460V435-E439 HydrophobicContact CG1-CB 3.96Å; V435-R440 HydrophobicContact CG1-CG 4.08Å; V435-R440 PolarHBondContact O-NE 3.18Å; V435-R440 PolarHBondContact O-NH2 3.26Å; V435-F447 HydrophobicContact CG1-CE1 3.71Å; V435-F447 HydrophobicContact CG1-CZ 3.61Å; V435-Y459 HydrophobicContact CG1-CD1 4.19Å; V435-Y459 HydrophobicContact CG1-CE1 3.93Å; V435-Y459 HydrophobicContact CG2-CD1 4.28Å; V435-Y459 HydrophobicContact CG2-CE1 4.43Å; V435-L460 HydrophobicContact CG2-CD1 3.68Å
436H97.5Very high96.2Very high70 Ų7061.4 Ų61.432%0.32432%0.318SS..  trans-72.2162.6-174.3-175-126.3000113.6W429 I438 E439 R440W429-H436 AromaticContact CD2-ND1 3.47Å; W429-H436 HydrophobicContact CE3-CB 3.68Å; W429-H436 AromaticContact CE3-CG 3.61Å; W429-H436 AromaticContact CE3-ND1 3.05Å; W429-H436 AromaticContact CG-CE1 3.98Å; W429-H436 AromaticContact CG-ND1 3.84Å; W429-H436 HydrophobicContact CZ3-CB 3.92Å; W429-H436 AromaticContact CZ3-ND1 3.83Å; H436-I438 VanDerWaalsContact C-N 3.26Å; H436-I438 PolarHBondContact O-N 3.36Å; H436-E439 VanDerWaalsContact CB-OE1 3.29Å; H436-E439 WeakPolarHBondContact CB-OE1 3.35Å; H436-E439 PolarHBondContact N-OE1 2.77Å; H436-E439 PolarHBondContact O-N 3.28Å; H436-R440 WeakPolarHBondContact O-CG 3.46Å; H436-R440 PolarHBondContact O-N 3.44Å
437A96.9Very high96.2Very high53 Ų5357.8 Ų57.844%0.43831%0.305SS..Hα-helixtrans-65.3-25.1-178.600000113.9R441A437-R441 WeakPolarHBondContact O-CB 3.31Å; A437-R441 PolarHBondContact O-N 3.02Å
438I97.1Very high96Very high36 Ų3661.4 Ų61.419%0.18532%0.324CS..Hα-helixtrans-68.2-46.1175.4-69.6172.9000110.5W429 H436 R440 R441 A442 F500 W504W429-I438 HydrophobicContact CD2-CD1 3.88Å; W429-I438 HydrophobicContact CG-CD1 3.93Å; W429-I438 HydrophobicContact CH2-CB 4.32Å; W429-I438 HydrophobicContact CH2-CG2 4.11Å; W429-I438 HydrophobicContact CZ2-CB 4.27Å; W429-I438 HydrophobicContact CZ2-CD1 4.39Å; W429-I438 HydrophobicContact CZ2-CG2 3.84Å; W429-I438 HydrophobicContact CZ3-CB 4.45Å; H436-I438 VanDerWaalsContact C-N 3.26Å; H436-I438 PolarHBondContact O-N 3.36Å; I438-R440 PolarHBondContact O-N 3.14Å; I438-R441 PolarHBondContact O-N 3.29Å; I438-R441 VanDerWaalsContact O-N 3.17Å; I438-A442 WeakPolarHBondContact O-CB 3.18Å; I438-A442 PolarHBondContact O-N 2.72Å; I438-F500 HydrophobicContact CG2-CE2 4.27Å; I438-F500 HydrophobicContact CG2-CZ 4.28Å; I438-W504 HydrophobicContact CD1-CH2 4.22Å; I438-W504 HydrophobicContact CD1-CZ2 4.44Å; I438-W504 HydrophobicContact CG2-CH2 4.49Å; I438-W504 HydrophobicContact CG2-CZ2 3.71Å
439E97.6Very high95.7Very high0 Ų060.9 Ų60.90%033%0.327CS..Hα-helixtrans-59.7-46.8177.6-60.3169.3-97.800111W429 V435 H436 R441 A442 L443 Y459 R463 F500W429-E439 HydrophobicContact CH2-CG 3.88Å; W429-E439 HydrophobicContact CZ3-CG 3.69Å; V435-E439 HydrophobicContact CG1-CB 3.96Å; H436-E439 VanDerWaalsContact CB-OE1 3.29Å; H436-E439 WeakPolarHBondContact CB-OE1 3.35Å; H436-E439 PolarHBondContact N-OE1 2.77Å; H436-E439 PolarHBondContact O-N 3.28Å; E439-R441 PolarHBondContact O-N 3.2Å; E439-A442 PolarHBondContact O-N 2.77Å; E439-L443 PolarHBondContact O-N 2.78Å; E439-Y459 HydrophobicContact CB-CE1 4.11Å; E439-Y459 VanDerWaalsContact OE2-CE1 3.26Å; E439-Y459 WeakPolarHBondContact OE2-CE1 3.01Å; E439-Y459 PolarHBondContact OE2-OH 2.92Å; E439-Y459 VanDerWaalsContact OE2-OH 3.07Å; E439-R463 VanDerWaalsContact CD-NH1 3.33Å; E439-R463 IonicContact OE1-NH1 2.73Å; E439-R463 PolarHBondContact OE1-NH1 3.49Å; E439-R463 WeakPolarHBondContact OE2-CD 3.46Å; E439-R463 IonicContact OE2-CZ 2.63Å; E439-R463 IonicContact OE2-NE 3.63Å; E439-R463 IonicContact OE2-NH1 2.74Å; E439-R463 PolarHBondContact OE2-NH1 3.34Å; E439-F500 HydrophobicContact CB-CE1 4.5Å; E439-F500 HydrophobicContact CB-CZ 4.29Å; E439-F500 HydrophobicContact CG-CE1 3.84Å; E439-F500 HydrophobicContact CG-CZ 3.76Å
440R96.2Very high95.4Very high119 Ų11967.4 Ų67.445%0.44936%0.357SS..Hα-helixtrans-60.9-31.2177.4-64.7173.5-172.9-1001.1113.3V435 H436 I438 F447V435-R440 HydrophobicContact CG1-CG 4.08Å; V435-R440 PolarHBondContact O-NE 3.18Å; V435-R440 PolarHBondContact O-NH2 3.26Å; H436-R440 WeakPolarHBondContact O-CG 3.46Å; H436-R440 PolarHBondContact O-N 3.44Å; I438-R440 PolarHBondContact O-N 3.14Å; R440-F447 HydrophobicContact CB-CD2 4.18Å; R440-F447 HydrophobicContact CB-CE2 4.42Å; R440-F447 HydrophobicContact CB-CG 4.39Å; R440-F447 HydrophobicContact CG-CD1 4.01Å; R440-F447 HydrophobicContact CG-CD2 4.12Å; R440-F447 HydrophobicContact CG-CE1 4.06Å; R440-F447 HydrophobicContact CG-CE2 4.16Å; R440-F447 HydrophobicContact CG-CG 4.04Å; R440-F447 HydrophobicContact CG-CZ 4.13Å
441R96.6Very high95Very high189 Ų18969.3 Ų69.371%0.71337%0.368SS*.Hα-helixtrans-81.4-38177.6-169.9-173.5-60.9134.31.4112.3A437 I438 E439A437-R441 WeakPolarHBondContact O-CB 3.31Å; A437-R441 PolarHBondContact O-N 3.02Å; I438-R441 PolarHBondContact O-N 3.29Å; I438-R441 VanDerWaalsContact O-N 3.17Å; E439-R441 PolarHBondContact O-N 3.2Å
442A95.8Very high94.7Very high51 Ų5175.2 Ų75.242%0.42139%0.391SS..Hα-helixtrans-78.4-36.8-178.200000113I438 E439 P444 F500I438-A442 WeakPolarHBondContact O-CB 3.18Å; I438-A442 PolarHBondContact O-N 2.72Å; E439-A442 PolarHBondContact O-N 2.77Å; A442-P444 VanDerWaalsContact O-CD 3.31Å; A442-P444 WeakPolarHBondContact O-CD 3.38Å; A442-F500 HydrophobicContact CB-CD2 3.54Å; A442-F500 HydrophobicContact CB-CE2 3.35Å; A442-F500 HydrophobicContact CB-CZ 4.35Å
443L96.3Very high94.5Very high8 Ų875.4 Ų75.44%0.04240%0.404CS..  trans-12355.1-174.8-60.9172.8000111.9E439 E445 F446 F447 Y459 R496 V497 F500E439-L443 PolarHBondContact O-N 2.78Å; L443-E445 PolarHBondContact O-N 3.5Å; L443-F446 HydrophobicContact CB-CD2 4.37Å; L443-F446 PolarHBondContact O-N 3.07Å; L443-F447 VanDerWaalsContact O-CD2 3.24Å; L443-F447 WeakPolarHBondContact O-CD2 3.29Å; L443-F447 VanDerWaalsContact O-CE2 3.32Å; L443-F447 WeakPolarHBondContact O-CE2 3.22Å; L443-Y459 HydrophobicContact CD1-CD2 4.34Å; L443-Y459 HydrophobicContact CD1-CE2 3.45Å; L443-Y459 VanDerWaalsContact CD1-CE2 3.45Å; L443-R496 HydrophobicContact CD2-CB 3.87Å; L443-V497 HydrophobicContact CD1-CG2 4.13Å; L443-F500 HydrophobicContact CD1-CB 3.98Å; L443-F500 HydrophobicContact CD1-CD1 3.9Å; L443-F500 HydrophobicContact CD1-CG 3.87Å; L443-F500 HydrophobicContact CG-CB 4.47Å; L443-F500 HydrophobicContact CG-CG 4.37Å
444P96.1Very high94.5Very high73 Ų7370.4 Ų70.447%0.47438%0.376SS..G310 helixtrans-65.2-6.4-172.530.1-38.1000114.2A442 F446 F447 N448A442-P444 VanDerWaalsContact O-CD 3.31Å; A442-P444 WeakPolarHBondContact O-CD 3.38Å; P444-F446 VanDerWaalsContact C-N 3.27Å; P444-F446 PolarHBondContact O-N 3.37Å; P444-F447 PolarHBondContact O-N 2.68Å; P444-N448 WeakPolarHBondContact O-CB 3.32Å; P444-N448 PolarHBondContact O-N 2.71Å; P444-N448 PolarHBondContact O-ND2 2.65Å
445E94.3Very high94.5Very high33 Ų3369.2 Ų69.215%0.15437%0.366CS..G310 helixtrans-67-24.7178.469.4-177.5127.700114L443 N448 K454 R496L443-E445 PolarHBondContact O-N 3.5Å; E445-N448 WeakPolarHBondContact CA-ND2 3.25Å; E445-N448 PolarHBondContact O-ND2 2.84Å; E445-K454 HydrophobicContact CB-CD 4.43Å; E445-K454 HydrophobicContact CG-CD 4.24Å; E445-K454 IonicContact OE2-NZ 3.53Å; E445-K454 PolarHBondContact OE2-NZ 2.87Å; E445-R496 IonicContact OE1-CZ 3.36Å; E445-R496 IonicContact OE1-NE 2.77Å; E445-R496 PolarHBondContact OE1-NE 3.44Å; E445-R496 IonicContact OE1-NH2 2.77Å; E445-R496 PolarHBondContact OE1-NH2 3.03Å; E445-R496 IonicContact OE2-CZ 3.72Å; E445-R496 IonicContact OE2-NH2 2.68Å; E445-R496 PolarHBondContact OE2-NH2 2.9Å
446F96.1Very high94.5Very high1 Ų170.5 Ų70.50%0.00438%0.375CS..G310 helixtrans-91.4-10.8178.4-64.9-87.5000114.2L443 P444 K454 T455 P456 I458 Y459 Y462 A493 V497L443-F446 HydrophobicContact CB-CD2 4.37Å; L443-F446 PolarHBondContact O-N 3.07Å; P444-F446 VanDerWaalsContact C-N 3.27Å; P444-F446 PolarHBondContact O-N 3.37Å; F446-K454 CarbonylContact C-O 3.59Å; F446-K454 WeakPolarHBondContact CA-O 3.47Å; F446-K454 HydrophobicContact CD1-CB 3.8Å; F446-K454 HydrophobicContact CD1-CG 4.29Å; F446-K454 HydrophobicContact CE1-CB 4.2Å; F446-K454 HydrophobicContact CE1-CG 4.19Å; F446-K454 HydrophobicContact CG-CB 4.38Å; F446-T455 CarbonylContact O-C 3.49Å; F446-T455 VanDerWaalsContact O-C 3.31Å; F446-P456 WeakPolarHBondContact O-CD 3.31Å; F446-I458 HydrophobicContact CE1-CG2 4.31Å; F446-Y459 HydrophobicContact CB-CG 4.44Å; F446-Y459 AromaticContact CD2-CD2 3.93Å; F446-Y459 HydrophobicContact CD2-CD2 3.93Å; F446-Y459 HydrophobicContact CD2-CG 4.36Å; F446-Y459 HydrophobicContact CE2-CD2 4.07Å; F446-Y459 HydrophobicContact CG-CD2 4.28Å; F446-Y459 HydrophobicContact CG-CG 4.28Å; F446-Y462 HydrophobicContact CE1-CD2 4.07Å; F446-Y462 AromaticContact CE1-CE2 3.95Å; F446-Y462 HydrophobicContact CE1-CE2 3.95Å; F446-Y462 AromaticContact CZ-CD2 3.96Å; F446-Y462 HydrophobicContact CZ-CD2 3.96Å; F446-Y462 HydrophobicContact CZ-CE2 4.04Å; F446-A493 HydrophobicContact CE2-CB 4.35Å; F446-A493 HydrophobicContact CZ-CB 3.9Å; F446-V497 HydrophobicContact CE2-CG2 3.85Å; F446-V497 HydrophobicContact CZ-CG2 4.02Å
447F95.9Very high94.4Very high47 Ų4773 Ų7321%0.20639%0.387CS..THydrogen-bonded Turntrans-117.5-5.3-170.3-52.4-73000114.2V435 R440 L443 P444 P456 Y459V435-F447 HydrophobicContact CG1-CE1 3.71Å; V435-F447 HydrophobicContact CG1-CZ 3.61Å; R440-F447 HydrophobicContact CB-CD2 4.18Å; R440-F447 HydrophobicContact CB-CE2 4.42Å; R440-F447 HydrophobicContact CB-CG 4.39Å; R440-F447 HydrophobicContact CG-CD1 4.01Å; R440-F447 HydrophobicContact CG-CD2 4.12Å; R440-F447 HydrophobicContact CG-CE1 4.06Å; R440-F447 HydrophobicContact CG-CE2 4.16Å; R440-F447 HydrophobicContact CG-CG 4.04Å; R440-F447 HydrophobicContact CG-CZ 4.13Å; L443-F447 VanDerWaalsContact O-CD2 3.24Å; L443-F447 WeakPolarHBondContact O-CD2 3.29Å; L443-F447 VanDerWaalsContact O-CE2 3.32Å; L443-F447 WeakPolarHBondContact O-CE2 3.22Å; P444-F447 PolarHBondContact O-N 2.68Å; F447-P456 HydrophobicContact CD1-CB 4.11Å; F447-P456 HydrophobicContact CD1-CG 3.95Å; F447-P456 HydrophobicContact CE1-CB 3.94Å; F447-P456 HydrophobicContact CE1-CG 4.3Å; F447-Y459 HydrophobicContact CE1-CD1 4.29Å; F447-Y459 HydrophobicContact CE2-CD1 4.44Å; F447-Y459 AromaticContact CZ-CD1 3.54Å; F447-Y459 HydrophobicContact CZ-CD1 3.54Å; F447-Y459 AromaticContact CZ-CE1 3.92Å; F447-Y459 HydrophobicContact CZ-CE1 3.92Å; F447-Y459 HydrophobicContact CZ-CG 4.01Å
448N91.8Very high94.3Very high77 Ų7773.6 Ų73.641%0.41238%0.382SS..SBendtrans-87-4.3-175.166.550.1000114.9P444 E445 K450P444-N448 WeakPolarHBondContact O-CB 3.32Å; P444-N448 PolarHBondContact O-N 2.71Å; P444-N448 PolarHBondContact O-ND2 2.65Å; E445-N448 WeakPolarHBondContact CA-ND2 3.25Å; E445-N448 PolarHBondContact O-ND2 2.84Å; N448-K450 HydrophobicContact CB-CG 4.5Å; N448-K450 PolarHBondContact O-N 3.38Å; N448-K450 VanDerWaalsContact O-N 3.09Å; N448-K450 WeakPolarHBondContact OD1-CB 3.26Å; N448-K450 WeakPolarHBondContact OD1-CG 3.48Å; N448-K450 PolarHBondContact OD1-N 2.94Å
449G89.9Confident94.3Very high74 Ų7471.9 Ų71.976%0.76337%0.373SS*.SBendtrans68.2-0.2178.800000116.5
450K89.8Confident94.3Very high187 Ų18774.5 Ų74.581%0.81339%0.387SS*.SBendtrans-79.6-26.1-175.4-59-179.6179.7-178.40113.6N448N448-K450 HydrophobicContact CB-CG 4.5Å; N448-K450 PolarHBondContact O-N 3.38Å; N448-K450 VanDerWaalsContact O-N 3.09Å; N448-K450 WeakPolarHBondContact OD1-CB 3.26Å; N448-K450 WeakPolarHBondContact OD1-CG 3.48Å; N448-K450 PolarHBondContact OD1-N 2.94Å
451N89.3Confident94.3Very high68 Ų6871.6 Ų71.636%0.36439%0.388SS..  trans-117.7115.4-177-175.5-16.2000110.6S453 K454N451-S453 PolarHBondContact O-N 2.75Å; N451-S453 VanDerWaalsContact O-N 3.14Å; N451-S453 PolarHBondContact OD1-N 2.83Å; N451-K454 HydrophobicContact CB-CB 4.2Å; N451-K454 CarbonylContact O-C 3.48Å; N451-K454 PolarHBondContact O-N 2.79Å; N451-K454 VanDerWaalsContact O-N 3.08Å
452K91.2Very high94.3Very high200 Ų20063.4 Ų63.487%0.8736%0.357SS*.THydrogen-bonded Turntrans-63.5-17.3-178.8-61.4-174.8179.4-1760114.2
453S89.5Confident94.4Very high86 Ų8661 Ų6160%0.60134%0.337SS*.THydrogen-bonded Turntrans-103.35.4178.3-53.30000113.2N451N451-S453 PolarHBondContact O-N 2.75Å; N451-S453 VanDerWaalsContact O-N 3.14Å; N451-S453 PolarHBondContact OD1-N 2.83Å
454K94.7Very high94.4Very high26 Ų2661.4 Ų61.411%0.11334%0.339CS..SBendtrans-131.180.2173.8-65.3-175.8178.41780108.6E445 F446 N451 D490E445-K454 HydrophobicContact CB-CD 4.43Å; E445-K454 HydrophobicContact CG-CD 4.24Å; E445-K454 IonicContact OE2-NZ 3.53Å; E445-K454 PolarHBondContact OE2-NZ 2.87Å; F446-K454 CarbonylContact C-O 3.59Å; F446-K454 WeakPolarHBondContact CA-O 3.47Å; F446-K454 HydrophobicContact CD1-CB 3.8Å; F446-K454 HydrophobicContact CD1-CG 4.29Å; F446-K454 HydrophobicContact CE1-CB 4.2Å; F446-K454 HydrophobicContact CE1-CG 4.19Å; F446-K454 HydrophobicContact CG-CB 4.38Å; N451-K454 HydrophobicContact CB-CB 4.2Å; N451-K454 CarbonylContact O-C 3.48Å; N451-K454 PolarHBondContact O-N 2.79Å; N451-K454 VanDerWaalsContact O-N 3.08Å; K454-D490 WeakPolarHBondContact CE-OD2 3.39Å; K454-D490 IonicContact NZ-OD2 3.43Å; K454-D490 PolarHBondContact NZ-OD2 2.93Å
455T95.9Very high94.5Very high39 Ų3961.2 Ų61.224%0.23933%0.331CS..  trans-107.1166.2178.874.70000110.3F446 E457 I458 Y459F446-T455 CarbonylContact O-C 3.49Å; F446-T455 VanDerWaalsContact O-C 3.31Å; T455-E457 WeakPolarHBondContact CB-OE2 3.37Å; T455-E457 PolarHBondContact O-N 2.95Å; T455-E457 PolarHBondContact OG1-OE2 3.32Å; T455-I458 PolarHBondContact O-N 3.32Å; T455-Y459 PolarHBondContact O-N 2.77Å; T455-Y459 VanDerWaalsContact O-N 3.14Å
456P96.1Very high94.6Very high44 Ų4459.7 Ų59.729%0.28632%0.324SS..Hα-helixtrans-58.8-30.9178.7-24.735.7000113.4F446 F447 Y459 L460F446-P456 WeakPolarHBondContact O-CD 3.31Å; F447-P456 HydrophobicContact CD1-CB 4.11Å; F447-P456 HydrophobicContact CD1-CG 3.95Å; F447-P456 HydrophobicContact CE1-CB 3.94Å; F447-P456 HydrophobicContact CE1-CG 4.3Å; P456-Y459 WeakPolarHBondContact O-CB 3.34Å; P456-Y459 PolarHBondContact O-N 2.94Å; P456-L460 WeakPolarHBondContact O-CB 3.2Å; P456-L460 PolarHBondContact O-N 2.95Å
457E94.9Very high94.6Very high123 Ų12359.7 Ų59.758%0.57532%0.324SS*.Hα-helixtrans-75-38.8-177.5-5169.7-142.300111T455 Y459 L460 A461T455-E457 WeakPolarHBondContact CB-OE2 3.37Å; T455-E457 PolarHBondContact O-N 2.95Å; T455-E457 PolarHBondContact OG1-OE2 3.32Å; E457-Y459 VanDerWaalsContact C-N 3.32Å; E457-L460 WeakPolarHBondContact O-CB 3.32Å; E457-L460 PolarHBondContact O-N 2.6Å; E457-A461 PolarHBondContact O-N 2.98Å
458I95.9Very high94.6Very high64 Ų6460 Ų6033%0.32833%0.328SS..Hα-helixtrans-64.7-38.4171.8-61.8-62.1000110.6F446 T455 A461 Y462F446-I458 HydrophobicContact CE1-CG2 4.31Å; T455-I458 PolarHBondContact O-N 3.32Å; I458-A461 PolarHBondContact O-N 3.42Å; I458-Y462 HydrophobicContact CG2-CD1 4.25Å; I458-Y462 HydrophobicContact CG2-CD2 4.34Å; I458-Y462 HydrophobicContact CG2-CE1 3.71Å; I458-Y462 HydrophobicContact CG2-CE2 3.8Å; I458-Y462 VanDerWaalsContact CG2-CZ 3.44Å; I458-Y462 WeakPolarHBondContact O-CD1 3.32Å; I458-Y462 VanDerWaalsContact O-CG 3.27Å; I458-Y462 PolarHBondContact O-N 3.3Å
459Y97.4Very high94.8Very high0 Ų058.5 Ų58.50%032%0.322CS..Hα-helixtrans-64.1-44.2173.1174.1-106.5000112.5V435 E439 L443 F446 F447 T455 P456 E457 A461 Y462 R463 V497V435-Y459 HydrophobicContact CG1-CD1 4.19Å; V435-Y459 HydrophobicContact CG1-CE1 3.93Å; V435-Y459 HydrophobicContact CG2-CD1 4.28Å; V435-Y459 HydrophobicContact CG2-CE1 4.43Å; E439-Y459 HydrophobicContact CB-CE1 4.11Å; E439-Y459 VanDerWaalsContact OE2-CE1 3.26Å; E439-Y459 WeakPolarHBondContact OE2-CE1 3.01Å; E439-Y459 PolarHBondContact OE2-OH 2.92Å; E439-Y459 VanDerWaalsContact OE2-OH 3.07Å; L443-Y459 HydrophobicContact CD1-CD2 4.34Å; L443-Y459 HydrophobicContact CD1-CE2 3.45Å; L443-Y459 VanDerWaalsContact CD1-CE2 3.45Å; F446-Y459 HydrophobicContact CB-CG 4.44Å; F446-Y459 AromaticContact CD2-CD2 3.93Å; F446-Y459 HydrophobicContact CD2-CD2 3.93Å; F446-Y459 HydrophobicContact CD2-CG 4.36Å; F446-Y459 HydrophobicContact CE2-CD2 4.07Å; F446-Y459 HydrophobicContact CG-CD2 4.28Å; F446-Y459 HydrophobicContact CG-CG 4.28Å; F447-Y459 HydrophobicContact CE1-CD1 4.29Å; F447-Y459 HydrophobicContact CE2-CD1 4.44Å; F447-Y459 AromaticContact CZ-CD1 3.54Å; F447-Y459 HydrophobicContact CZ-CD1 3.54Å; F447-Y459 AromaticContact CZ-CE1 3.92Å; F447-Y459 HydrophobicContact CZ-CE1 3.92Å; F447-Y459 HydrophobicContact CZ-CG 4.01Å; T455-Y459 PolarHBondContact O-N 2.77Å; T455-Y459 VanDerWaalsContact O-N 3.14Å; P456-Y459 WeakPolarHBondContact O-CB 3.34Å; P456-Y459 PolarHBondContact O-N 2.94Å; E457-Y459 VanDerWaalsContact C-N 3.32Å; Y459-A461 VanDerWaalsContact C-N 3.34Å; Y459-A461 PolarHBondContact O-N 2.95Å; Y459-Y462 PolarHBondContact O-N 3.49Å; Y459-R463 HydrophobicContact CE2-CB 4.31Å; Y459-R463 WeakPolarHBondContact O-CB 3.48Å; Y459-R463 PolarHBondContact O-N 2.68Å; Y459-V497 HydrophobicContact CD2-CG2 3.93Å; Y459-V497 HydrophobicContact CE2-CG1 4.06Å; Y459-V497 HydrophobicContact CE2-CG2 3.92Å
460L96.5Very high95Very high56 Ų5655.3 Ų55.329%0.29329%0.286SS..Hα-helixtrans-58.2-46.8176-162.482.4000110.8V435 P456 E457 R463 N464V435-L460 HydrophobicContact CG2-CD1 3.68Å; P456-L460 WeakPolarHBondContact O-CB 3.2Å; P456-L460 PolarHBondContact O-N 2.95Å; E457-L460 WeakPolarHBondContact O-CB 3.32Å; E457-L460 PolarHBondContact O-N 2.6Å; L460-R463 PolarHBondContact O-N 3.36Å; L460-N464 VanDerWaalsContact O-CB 3.27Å; L460-N464 WeakPolarHBondContact O-CB 3.39Å; L460-N464 VanDerWaalsContact O-CG 3.26Å; L460-N464 PolarHBondContact O-N 2.69Å; L460-N464 PolarHBondContact O-OD1 3.31Å
461A95.7Very high95.2Very high57 Ų5749.7 Ų49.747%0.47126%0.26SS..Hα-helixtrans-61.3-45.4176.200000112.4E457 I458 Y459 F465E457-A461 PolarHBondContact O-N 2.98Å; I458-A461 PolarHBondContact O-N 3.42Å; Y459-A461 VanDerWaalsContact C-N 3.34Å; Y459-A461 PolarHBondContact O-N 2.95Å; A461-F465 WeakPolarHBondContact O-CB 3.33Å; A461-F465 PolarHBondContact O-N 3.49Å; A461-F465 VanDerWaalsContact O-N 3.1Å
462Y97.8Very high95.4Very high18 Ų1851.4 Ų51.47%0.07127%0.269CS..Hα-helixtrans-63.4-48.2177.8-70.8-1.9000112.4F446 I458 Y459 M466 L487 A488 G489 I494 V497F446-Y462 HydrophobicContact CE1-CD2 4.07Å; F446-Y462 AromaticContact CE1-CE2 3.95Å; F446-Y462 HydrophobicContact CE1-CE2 3.95Å; F446-Y462 AromaticContact CZ-CD2 3.96Å; F446-Y462 HydrophobicContact CZ-CD2 3.96Å; F446-Y462 HydrophobicContact CZ-CE2 4.04Å; I458-Y462 HydrophobicContact CG2-CD1 4.25Å; I458-Y462 HydrophobicContact CG2-CD2 4.34Å; I458-Y462 HydrophobicContact CG2-CE1 3.71Å; I458-Y462 HydrophobicContact CG2-CE2 3.8Å; I458-Y462 VanDerWaalsContact CG2-CZ 3.44Å; I458-Y462 WeakPolarHBondContact O-CD1 3.32Å; I458-Y462 VanDerWaalsContact O-CG 3.27Å; I458-Y462 PolarHBondContact O-N 3.3Å; Y459-Y462 PolarHBondContact O-N 3.49Å; Y462-M466 VanDerWaalsContact O-CG 3.3Å; Y462-M466 WeakPolarHBondContact O-CG 3.5Å; Y462-M466 PolarHBondContact O-N 2.75Å; Y462-L487 HydrophobicContact CD1-CB 4.28Å; Y462-L487 HydrophobicContact CD1-CD1 3.99Å; Y462-L487 HydrophobicContact CD1-CD2 3.92Å; Y462-L487 HydrophobicContact CD1-CG 4.29Å; Y462-L487 HydrophobicContact CE1-CB 4.28Å; Y462-L487 HydrophobicContact CE1-CD2 4.48Å; Y462-L487 HydrophobicContact CG-CD1 4.12Å; Y462-A488 PolarHBondContact OH-O 2.79Å; Y462-G489 WeakPolarHBondContact OH-CA 3.35Å; Y462-I494 HydrophobicContact CD2-CG1 4.29Å; Y462-I494 HydrophobicContact CE2-CG1 4Å; Y462-V497 HydrophobicContact CD2-CG2 4.45Å
463R97.4Very high95.4Very high0 Ų044.8 Ų44.80%024%0.243CC..Hα-helixtrans-68.4-42.5-174.787.2-177.1-173.2158.94.5110.8D431 Y432 S434 E439 Y459 L460 M466 I467 V497 L501D431-R463 PolarHBondContact O-NH1 3.33Å; D431-R463 PolarHBondContact O-NH2 3.15Å; Y432-R463 PolarHBondContact O-NH2 3.42Å; S434-R463 PolarHBondContact O-NH1 3.02Å; S434-R463 PolarHBondContact O-NH2 3.13Å; E439-R463 VanDerWaalsContact CD-NH1 3.33Å; E439-R463 IonicContact OE1-NH1 2.73Å; E439-R463 PolarHBondContact OE1-NH1 3.49Å; E439-R463 WeakPolarHBondContact OE2-CD 3.46Å; E439-R463 IonicContact OE2-CZ 2.63Å; E439-R463 IonicContact OE2-NE 3.63Å; E439-R463 IonicContact OE2-NH1 2.74Å; E439-R463 PolarHBondContact OE2-NH1 3.34Å; Y459-R463 HydrophobicContact CE2-CB 4.31Å; Y459-R463 WeakPolarHBondContact O-CB 3.48Å; Y459-R463 PolarHBondContact O-N 2.68Å; L460-R463 PolarHBondContact O-N 3.36Å; R463-M466 PolarHBondContact O-N 3.2Å; R463-I467 WeakPolarHBondContact O-CG1 3.5Å; R463-I467 PolarHBondContact O-N 3.1Å; R463-V497 HydrophobicContact CB-CG1 4.14Å; R463-L501 HydrophobicContact CB-CD1 4.2Å
464N96.6Very high95.6Very high17 Ų1740.7 Ų40.79%0.09121%0.214CC..Hα-helixtrans-67.5-48.9-177.9-71.126.1000109.2Y432 L460 M466 I467 D468Y432-N464 HydrophobicContact CD2-CB 4.45Å; Y432-N464 WeakPolarHBondContact CE1-ND2 3.46Å; Y432-N464 HydrophobicContact CE2-CB 3.61Å; Y432-N464 VanDerWaalsContact CE2-CG 3.42Å; Y432-N464 WeakPolarHBondContact CE2-ND2 3.44Å; Y432-N464 PolarHBondContact O-ND2 2.92Å; Y432-N464 VanDerWaalsContact O-ND2 3.09Å; Y432-N464 PolarHBondContact OH-ND2 2.92Å; L460-N464 VanDerWaalsContact O-CB 3.27Å; L460-N464 WeakPolarHBondContact O-CB 3.39Å; L460-N464 VanDerWaalsContact O-CG 3.26Å; L460-N464 PolarHBondContact O-N 2.69Å; L460-N464 PolarHBondContact O-OD1 3.31Å; N464-M466 VanDerWaalsContact C-N 3.28Å; N464-M466 PolarHBondContact O-N 3.32Å; N464-I467 PolarHBondContact O-N 3.32Å; N464-D468 VanDerWaalsContact O-CG 3.29Å; N464-D468 PolarHBondContact O-N 3.21Å
465F97.1Very high95.5Very high69 Ų6944 Ų4430%0.30323%0.23SC..Hα-helixtrans-51.5-43.7174.2178.4-89.3000113.3A461 T469 N486 L487A461-F465 WeakPolarHBondContact O-CB 3.33Å; A461-F465 PolarHBondContact O-N 3.49Å; A461-F465 VanDerWaalsContact O-N 3.1Å; F465-T469 WeakPolarHBondContact O-CB 3.36Å; F465-T469 PolarHBondContact O-N 2.88Å; F465-T469 PolarHBondContact O-OG1 2.7Å; F465-N486 HydrophobicContact CE1-CB 3.87Å; F465-N486 HydrophobicContact CE2-CB 4.19Å; F465-N486 HydrophobicContact CZ-CB 3.4Å; F465-L487 HydrophobicContact CB-CD2 3.95Å; F465-L487 HydrophobicContact CD1-CD1 3.94Å; F465-L487 HydrophobicContact CD1-CD2 3.66Å; F465-L487 HydrophobicContact CD1-CG 3.73Å; F465-L487 HydrophobicContact CD2-CD2 4.41Å; F465-L487 HydrophobicContact CE1-CD2 4.34Å; F465-L487 HydrophobicContact CE1-CG 4.15Å; F465-L487 HydrophobicContact CG-CD2 3.72Å; F465-L487 HydrophobicContact CG-CG 4.32Å
466M97.9Very high95.4Very high0 Ų048.1 Ų48.10%025%0.247CC..Hα-helixtrans-65.9-43.3176.9-69.2179.7-161.400112.4Y462 R463 N464 Y470 L478 C483 L487 I494 V497 H498 L501Y462-M466 VanDerWaalsContact O-CG 3.3Å; Y462-M466 WeakPolarHBondContact O-CG 3.5Å; Y462-M466 PolarHBondContact O-N 2.75Å; R463-M466 PolarHBondContact O-N 3.2Å; N464-M466 VanDerWaalsContact C-N 3.28Å; N464-M466 PolarHBondContact O-N 3.32Å; M466-Y470 WeakPolarHBondContact O-CB 3.39Å; M466-Y470 PolarHBondContact O-N 3.4Å; M466-Y470 VanDerWaalsContact O-N 3.09Å; M466-L478 HydrophobicContact CB-CD2 4.36Å; M466-L478 WeakPolarHBondContact O-CD2 3.37Å; M466-C483 HydrophobicContact CE-CB 4.15Å; M466-C483 HydrophobicContact CG-CB 4.36Å; M466-L487 HydrophobicContact CE-CD1 3.54Å; M466-L487 HydrophobicContact CG-CD1 4.33Å; M466-I494 HydrophobicContact CE-CG2 3.81Å; M466-V497 HydrophobicContact CE-CB 3.98Å; M466-V497 HydrophobicContact CE-CG1 3.93Å; M466-V497 HydrophobicContact SD-CB 4.28Å; M466-V497 HydrophobicContact SD-CG1 3.82Å; M466-H498 HydrophobicContact CE-CB 4.34Å; M466-H498 HydrophobicContact SD-CB 3.82Å; M466-L501 HydrophobicContact CB-CD1 3.86Å; M466-L501 HydrophobicContact SD-CD1 4.04Å
467I96.3Very high95.4Very high1 Ų148.2 Ų48.21%0.00524%0.242CC..Hα-helixtrans-63.8-47.7179-73.2169.7000110.5F430 R463 N464 Y470 R471 L501 I507F430-I467 HydrophobicContact CE1-CD1 3.86Å; F430-I467 HydrophobicContact CE2-CD1 3.76Å; F430-I467 HydrophobicContact CZ-CD1 3.25Å; R463-I467 WeakPolarHBondContact O-CG1 3.5Å; R463-I467 PolarHBondContact O-N 3.1Å; N464-I467 PolarHBondContact O-N 3.32Å; I467-Y470 PolarHBondContact O-N 3.18Å; I467-R471 HydrophobicContact CG2-CG 4.38Å; I467-R471 VanDerWaalsContact CG2-CZ 3.42Å; I467-R471 VanDerWaalsContact CG2-NE 3.34Å; I467-R471 VanDerWaalsContact O-CG 3.23Å; I467-R471 WeakPolarHBondContact O-CG 3.47Å; I467-R471 PolarHBondContact O-N 3.01Å; I467-L501 HydrophobicContact CD1-CD1 4.49Å; I467-L501 HydrophobicContact CD1-CD2 4.01Å; I467-L501 HydrophobicContact CG1-CD1 4.15Å; I467-L501 HydrophobicContact CG1-CD2 4.39Å; I467-I507 HydrophobicContact CG1-CG2 4.07Å
468D95.2Very high95.5Very high55 Ų5543.1 Ų43.129%0.29422%0.218SC..Hα-helixtrans-71.8-39.2-175.8-55.5-38.9000111.2Y432 N464 Y470 R471 L472Y432-D468 WeakPolarHBondContact CE2-OD1 3.32Å; Y432-D468 WeakPolarHBondContact CE2-OD2 3.3Å; Y432-D468 PolarHBondContact OH-OD2 3.3Å; N464-D468 VanDerWaalsContact O-CG 3.29Å; N464-D468 PolarHBondContact O-N 3.21Å; D468-Y470 VanDerWaalsContact C-N 3.27Å; D468-Y470 PolarHBondContact O-N 3.38Å; D468-R471 PolarHBondContact O-N 2.99Å; D468-R471 VanDerWaalsContact O-N 3.09Å; D468-R471 IonicContact OD1-NH1 3.4Å; D468-L472 PolarHBondContact O-N 2.92Å
469T94.8Very high95.5Very high45 Ų4542.2 Ų42.228%0.27622%0.216SC..Hα-helixtrans-58.2-38.8171.4-56.10000111.8F465 L478F465-T469 WeakPolarHBondContact O-CB 3.36Å; F465-T469 PolarHBondContact O-N 2.88Å; F465-T469 PolarHBondContact O-OG1 2.7Å; T469-L478 HydrophobicContact CG2-CD1 3.78Å; T469-L478 HydrophobicContact CG2-CD2 4.43Å
470Y95.6Very high95.5Very high6 Ų643.2 Ų43.22%0.02422%0.223CC..Hα-helixtrans-70-38.5174.6175.3-113.8000112.4M466 I467 D468 L472 N473 P474 L478 I507 N508 Y509 Q510 V511M466-Y470 WeakPolarHBondContact O-CB 3.39Å; M466-Y470 PolarHBondContact O-N 3.4Å; M466-Y470 VanDerWaalsContact O-N 3.09Å; I467-Y470 PolarHBondContact O-N 3.18Å; D468-Y470 VanDerWaalsContact C-N 3.27Å; D468-Y470 PolarHBondContact O-N 3.38Å; Y470-L472 VanDerWaalsContact C-N 3.27Å; Y470-L472 PolarHBondContact O-N 2.79Å; Y470-N473 CarbonylContact O-C 3.53Å; Y470-N473 PolarHBondContact O-N 3.03Å; Y470-N473 VanDerWaalsContact O-N 3.17Å; Y470-P474 HydrophobicContact CE1-CB 4.12Å; Y470-P474 VanDerWaalsContact CE2-CA 3.5Å; Y470-P474 HydrophobicContact CE2-CB 4.21Å; Y470-P474 VanDerWaalsContact CE2-O 3.27Å; Y470-P474 WeakPolarHBondContact CE2-O 3.15Å; Y470-P474 VanDerWaalsContact CZ-O 3.28Å; Y470-P474 WeakPolarHBondContact O-CA 3.38Å; Y470-P474 PolarHBondContact OH-O 3.09Å; Y470-L478 HydrophobicContact CD2-CB 4.24Å; Y470-I507 HydrophobicContact CD1-CB 4Å; Y470-I507 HydrophobicContact CD1-CG2 4.13Å; Y470-I507 HydrophobicContact CG-CB 3.96Å; Y470-I507 HydrophobicContact CG-CG2 4.14Å; Y470-N508 VanDerWaalsContact CE2-N 3.29Å; Y470-Y509 PolarHBondContact OH-N 3.33Å; Y470-Q510 PolarHBondContact OH-N 3.4Å; Y470-V511 HydrophobicContact CE2-CG2 3.84Å
471R94.3Very high95.4Very high70 Ų7043.3 Ų43.326%0.26423%0.226SC..Hα-helixtrans-67.1-23.1-178.3-73.3171.6170.2179.2-6.9114.1I421 I467 D468 N473I421-R471 HydrophobicContact CD1-CB 4Å; I421-R471 HydrophobicContact CD1-CG 3.82Å; I421-R471 HydrophobicContact CG1-CB 4.38Å; I421-R471 HydrophobicContact CG1-CG 3.93Å; I421-R471 HydrophobicContact CG2-CG 4.42Å; I467-R471 HydrophobicContact CG2-CG 4.38Å; I467-R471 VanDerWaalsContact CG2-CZ 3.42Å; I467-R471 VanDerWaalsContact CG2-NE 3.34Å; I467-R471 VanDerWaalsContact O-CG 3.23Å; I467-R471 WeakPolarHBondContact O-CG 3.47Å; I467-R471 PolarHBondContact O-N 3.01Å; D468-R471 PolarHBondContact O-N 2.99Å; D468-R471 VanDerWaalsContact O-N 3.09Å; D468-R471 IonicContact OD1-NH1 3.4Å; R471-N473 VanDerWaalsContact C-N 3.3Å; R471-N473 PolarHBondContact O-N 3.21Å
472L91.9Very high95.4Very high104 Ų10442.1 Ų42.155%0.54522%0.216SC..Hα-helixtrans-60.4-39.2171.5-66.7173.6000112.1H419 D468 Y470H419-L472 PolarHBondContact CE1-O 2.85Å; H419-L472 PolarHBondContact ND1-O 3.31Å; H419-L472 VanDerWaalsContact ND1-O 3.12Å; D468-L472 PolarHBondContact O-N 2.92Å; Y470-L472 VanDerWaalsContact C-N 3.27Å; Y470-L472 PolarHBondContact O-N 2.79Å
473N92.2Very high95.4Very high60 Ų6041.3 Ų41.332%0.32121%0.213SC..  trans-145.882.8178.5-175.511000111.3Y470 R471 Q475 E476Y470-N473 CarbonylContact O-C 3.53Å; Y470-N473 PolarHBondContact O-N 3.03Å; Y470-N473 VanDerWaalsContact O-N 3.17Å; R471-N473 VanDerWaalsContact C-N 3.3Å; R471-N473 PolarHBondContact O-N 3.21Å; N473-Q475 PolarHBondContact O-N 3.17Å; N473-Q475 VanDerWaalsContact O-N 3.11Å; N473-E476 HydrophobicContact CB-CB 4.45Å; N473-E476 VanDerWaalsContact ND2-CB 3.27Å; N473-E476 WeakPolarHBondContact ND2-CB 3.47Å; N473-E476 PolarHBondContact ND2-OE2 3.45Å; N473-E476 PolarHBondContact O-N 2.71Å
474P93.9Very high95.3Very high1 Ų147.1 Ų47.11%0.00624%0.235CC..THydrogen-bonded Turntrans-71.5-7.4-172.729.9-37.1000114.5H419 I421 Y470 V511H419-P474 HydrophobicContact CB-CG 3.63Å; I421-P474 HydrophobicContact CD1-CB 3.83Å; I421-P474 HydrophobicContact CD1-CG 3.85Å; Y470-P474 HydrophobicContact CE1-CB 4.12Å; Y470-P474 VanDerWaalsContact CE2-CA 3.5Å; Y470-P474 HydrophobicContact CE2-CB 4.21Å; Y470-P474 VanDerWaalsContact CE2-O 3.27Å; Y470-P474 WeakPolarHBondContact CE2-O 3.15Å; Y470-P474 VanDerWaalsContact CZ-O 3.28Å; Y470-P474 WeakPolarHBondContact O-CA 3.38Å; Y470-P474 PolarHBondContact OH-O 3.09Å; P474-V511 WeakPolarHBondContact O-CG2 3.49Å
475Q92.6Very high95.3Very high96 Ų9655.3 Ų55.345%0.44927%0.265SS..THydrogen-bonded Turntrans-83.4-23.5176.1-58.4-59.3-40.300112.2N473N473-Q475 PolarHBondContact O-N 3.17Å; N473-Q475 VanDerWaalsContact O-N 3.11Å
476E93.9Very high95.2Very high125 Ų12557.3 Ų57.358%0.58428%0.278SS*.SBendtrans-90143.5-179.7-178.1177.1175.100111.6N473 L478 V511N473-E476 HydrophobicContact CB-CB 4.45Å; N473-E476 VanDerWaalsContact ND2-CB 3.27Å; N473-E476 WeakPolarHBondContact ND2-CB 3.47Å; N473-E476 PolarHBondContact ND2-OE2 3.45Å; N473-E476 PolarHBondContact O-N 2.71Å; E476-L478 PolarHBondContact O-N 3.07Å; E476-L478 VanDerWaalsContact O-N 3.14Å; E476-V511 WeakPolarHBondContact O-CG2 3.17Å
477Y96.5Very high95.1Very high46 Ų4658.3 Ų58.318%0.1828%0.284CS..  trans-74103.9177.2-171.5-92.6000111.4T479 E502 N508 V511 R516 P517Y477-T479 HydrophobicContact CD1-CG2 3.66Å; Y477-T479 HydrophobicContact CE1-CG2 3.99Å; Y477-T479 PolarHBondContact O-N 3.43Å; Y477-E502 WeakPolarHBondContact CE2-OE1 3.33Å; Y477-E502 PolarHBondContact OH-OE1 2.9Å; Y477-E502 PolarHBondContact OH-OE2 2.76Å; Y477-N508 HydrophobicContact CD2-CB 4.13Å; Y477-N508 HydrophobicContact CE2-CB 3.99Å; Y477-N508 WeakPolarHBondContact CE2-ND2 3.37Å; Y477-N508 VanDerWaalsContact CZ-ND2 3.3Å; Y477-V511 HydrophobicContact CD2-CG1 4.22Å; Y477-R516 HydrophobicContact CD2-CB 4.31Å; Y477-R516 HydrophobicContact CD2-CG 3.99Å; Y477-R516 HydrophobicContact CE2-CG 4.36Å; Y477-P517 HydrophobicContact CD1-CG 3.67Å; Y477-P517 HydrophobicContact CE1-CG 3.97Å; Y477-P517 HydrophobicContact CG-CG 4.22Å
478L96.3Very high95Very high15 Ų1562.7 Ų62.78%0.07932%0.32CS..  trans-66.6104171.7177.859.8000109.4M466 T469 Y470 E476 A482 H498 N508M466-L478 HydrophobicContact CB-CD2 4.36Å; M466-L478 WeakPolarHBondContact O-CD2 3.37Å; T469-L478 HydrophobicContact CG2-CD1 3.78Å; T469-L478 HydrophobicContact CG2-CD2 4.43Å; Y470-L478 HydrophobicContact CD2-CB 4.24Å; E476-L478 PolarHBondContact O-N 3.07Å; E476-L478 VanDerWaalsContact O-N 3.14Å; L478-A482 HydrophobicContact CD1-CB 4.13Å; L478-H498 PolarHBondContact O-NE2 3.23Å; L478-N508 WeakPolarHBondContact CB-OD1 3Å; L478-N508 PolarHBondContact N-OD1 3.02Å; L478-N508 PolarHBondContact O-ND2 3.2Å
479T96.6Very high94.8Very high45 Ų4562.6 Ų62.628%0.27633%0.332SS..  trans-75.6143.4176.364.40000111.8Y477 T481 A482 C483Y477-T479 HydrophobicContact CD1-CG2 3.66Å; Y477-T479 HydrophobicContact CE1-CG2 3.99Å; Y477-T479 PolarHBondContact O-N 3.43Å; T479-T481 PolarHBondContact O-N 3.3Å; T479-T481 WeakPolarHBondContact OG1-CB 3.45Å; T479-T481 PolarHBondContact OG1-N 2.72Å; T479-A482 PolarHBondContact O-N 2.86Å; T479-A482 PolarHBondContact OG1-N 3.3Å; T479-C483 PolarHBondContact O-N 3.27Å; T479-C483 PolarHBondContact O-SG 3.13Å
480S96.3Very high94.8Very high22 Ų2263.5 Ų63.515%0.15434%0.335CS..Hα-helixtrans-57.4-20162.9-172.90000112.4R484 M495S480-R484 PolarHBondContact O-N 3.06Å; S480-M495 WeakPolarHBondContact OG-CG 3.45Å
481T95.4Very high94.8Very high57 Ų5766.2 Ų66.235%0.3535%0.352SS..Hα-helixtrans-66.1-40.2172.1-74.80000113T479 R484 R485T479-T481 PolarHBondContact O-N 3.3Å; T479-T481 WeakPolarHBondContact OG1-CB 3.45Å; T479-T481 PolarHBondContact OG1-N 2.72Å; T481-R484 WeakPolarHBondContact O-CG 3.26Å; T481-R484 PolarHBondContact OG1-NH1 2.85Å; T481-R485 WeakPolarHBondContact O-CG 3.16Å
482A95.6Very high94.9Very high33 Ų3365.8 Ų65.827%0.27336%0.36SS..Hα-helixtrans-69-44.2172.200000110.7L478 T479 R484 R485 N486L478-A482 HydrophobicContact CD1-CB 4.13Å; T479-A482 PolarHBondContact O-N 2.86Å; T479-A482 PolarHBondContact OG1-N 3.3Å; A482-R484 PolarHBondContact O-N 3.41Å; A482-R485 WeakPolarHBondContact O-CB 3.41Å; A482-R485 PolarHBondContact O-N 3.23Å; A482-R485 VanDerWaalsContact O-N 3.11Å; A482-N486 PolarHBondContact O-ND2 3.24Å
483C96.8Very high95Very high0 Ų060.9 Ų60.90%033%0.334CS..Hα-helixtrans-55.5-48.5179.5-56.50000112.3M466 T479 R485 N486 L487 I494M466-C483 HydrophobicContact CE-CB 4.15Å; M466-C483 HydrophobicContact CG-CB 4.36Å; T479-C483 PolarHBondContact O-N 3.27Å; T479-C483 PolarHBondContact O-SG 3.13Å; C483-R485 PolarHBondContact O-N 3.02Å; C483-N486 PolarHBondContact O-N 3.41Å; C483-L487 WeakPolarHBondContact O-CB 3.46Å; C483-L487 PolarHBondContact O-N 2.87Å; C483-I494 HydrophobicContact CB-CG2 4.14Å
484R96.2Very high95.3Very high122 Ų12258.1 Ų58.146%0.4632%0.319SS..Hα-helixtrans-68.9-10.8-179.375.1156.6-166.4-83.5-6115.5S480 T481 A482 V491 I494S480-R484 PolarHBondContact O-N 3.06Å; T481-R484 WeakPolarHBondContact O-CG 3.26Å; T481-R484 PolarHBondContact OG1-NH1 2.85Å; A482-R484 PolarHBondContact O-N 3.41Å; R484-V491 HydrophobicContact CB-CG2 4.33Å; R484-I494 HydrophobicContact CB-CG2 4.37Å
485R96.6Very high95.4Very high190 Ų19063.1 Ų63.172%0.71734%0.344SS*.Hα-helixtrans-81.5-32176.1-71.4176.2-175.6-162.52.1111.5T481 A482 C483T481-R485 WeakPolarHBondContact O-CG 3.16Å; A482-R485 WeakPolarHBondContact O-CB 3.41Å; A482-R485 PolarHBondContact O-N 3.23Å; A482-R485 VanDerWaalsContact O-N 3.11Å; C483-R485 PolarHBondContact O-N 3.02Å
486N94.6Very high95.7Very high110 Ų11063.6 Ų63.659%0.58834%0.341SS*.Hα-helixtrans-105.3-22.8-173.7-58.9-50.9000112.7F465 A482 C483F465-N486 HydrophobicContact CE1-CB 3.87Å; F465-N486 HydrophobicContact CE2-CB 4.19Å; F465-N486 HydrophobicContact CZ-CB 3.4Å; A482-N486 PolarHBondContact O-ND2 3.24Å; C483-N486 PolarHBondContact O-N 3.41Å
487L95.8Very high95.8Very high21 Ų2157.6 Ų57.611%0.1131%0.314CS..SBendtrans-97.7116.6176.2-63.8-179.9000111.6Y462 F465 M466 C483 I494Y462-L487 HydrophobicContact CD1-CB 4.28Å; Y462-L487 HydrophobicContact CD1-CD1 3.99Å; Y462-L487 HydrophobicContact CD1-CD2 3.92Å; Y462-L487 HydrophobicContact CD1-CG 4.29Å; Y462-L487 HydrophobicContact CE1-CB 4.28Å; Y462-L487 HydrophobicContact CE1-CD2 4.48Å; Y462-L487 HydrophobicContact CG-CD1 4.12Å; F465-L487 HydrophobicContact CB-CD2 3.95Å; F465-L487 HydrophobicContact CD1-CD1 3.94Å; F465-L487 HydrophobicContact CD1-CD2 3.66Å; F465-L487 HydrophobicContact CD1-CG 3.73Å; F465-L487 HydrophobicContact CD2-CD2 4.41Å; F465-L487 HydrophobicContact CE1-CD2 4.34Å; F465-L487 HydrophobicContact CE1-CG 4.15Å; F465-L487 HydrophobicContact CG-CD2 3.72Å; F465-L487 HydrophobicContact CG-CG 4.32Å; M466-L487 HydrophobicContact CE-CD1 3.54Å; M466-L487 HydrophobicContact CG-CD1 4.33Å; C483-L487 WeakPolarHBondContact O-CB 3.46Å; C483-L487 PolarHBondContact O-N 2.87Å; L487-I494 HydrophobicContact CB-CD1 3.96Å; L487-I494 HydrophobicContact CB-CG1 4.44Å; L487-I494 HydrophobicContact CD1-CG2 4.48Å; L487-I494 WeakPolarHBondContact O-CD1 3.03Å
488A93.8Very high95.9Very high93 Ų9355.9 Ų55.977%0.76931%0.307SS*.  trans-79.8119.517500000111.6Y462Y462-A488 PolarHBondContact OH-O 2.79Å
489G91.6Very high96Very high54 Ų5457.4 Ų57.456%0.55732%0.322SS*.SBendtrans162.3-16017400000115.5Y462 V491Y462-G489 WeakPolarHBondContact OH-CA 3.35Å; G489-V491 PolarHBondContact O-N 2.84Å
490D94.1Very high96.1Very high63 Ų6355.8 Ų55.834%0.33731%0.311SS..  trans-68.4111.3174.517118.2000110.6K454 C492 A493 I494 R496K454-D490 WeakPolarHBondContact CE-OD2 3.39Å; K454-D490 IonicContact NZ-OD2 3.43Å; K454-D490 PolarHBondContact NZ-OD2 2.93Å; D490-C492 PolarHBondContact O-N 3.06Å; D490-C492 WeakPolarHBondContact OD1-CB 3.41Å; D490-C492 PolarHBondContact OD1-N 3.19Å; D490-A493 HydrophobicContact CB-CB 4.03Å; D490-A493 WeakPolarHBondContact O-CA 3.48Å; D490-A493 WeakPolarHBondContact O-CB 3.29Å; D490-A493 PolarHBondContact O-N 3.3Å; D490-A493 PolarHBondContact OD2-N 3.12Å; D490-I494 PolarHBondContact O-N 2.89Å; D490-R496 IonicContact OD2-NH2 3.59Å
491V95.4Very high96.1Very high63 Ų6354.7 Ų54.738%0.38230%0.304SS..Hα-helixtrans-53.3-35.4177.666.80000112.8R484 G489 A493 I494 M495R484-V491 HydrophobicContact CB-CG2 4.33Å; G489-V491 PolarHBondContact O-N 2.84Å; V491-A493 VanDerWaalsContact C-N 3.34Å; V491-A493 PolarHBondContact O-N 3.09Å; V491-I494 PolarHBondContact O-N 2.85Å; V491-M495 HydrophobicContact CG2-SD 4.25Å; V491-M495 WeakPolarHBondContact O-CB 3.43Å; V491-M495 VanDerWaalsContact O-CG 3.26Å; V491-M495 WeakPolarHBondContact O-CG 3.24Å; V491-M495 PolarHBondContact O-N 3Å
492C96Very high96.2Very high62 Ų6254.8 Ų54.842%0.41930%0.3SS..Hα-helixtrans-71.8-30.2179.1-66.60000112.1D490 R496D490-C492 PolarHBondContact O-N 3.06Å; D490-C492 WeakPolarHBondContact OD1-CB 3.41Å; D490-C492 PolarHBondContact OD1-N 3.19Å; C492-R496 WeakPolarHBondContact O-CG 3.47Å; C492-R496 PolarHBondContact O-N 3.37Å; C492-R496 PolarHBondContact O-NH1 3.23Å; C492-R496 VanDerWaalsContact O-NH1 3.11Å
493A95.4Very high96.3Very high1 Ų160.2 Ų60.21%0.00832%0.32CS..Hα-helixtrans-74.6-43172.300000110.9F446 D490 V491 M495 R496 V497F446-A493 HydrophobicContact CE2-CB 4.35Å; F446-A493 HydrophobicContact CZ-CB 3.9Å; D490-A493 HydrophobicContact CB-CB 4.03Å; D490-A493 WeakPolarHBondContact O-CA 3.48Å; D490-A493 WeakPolarHBondContact O-CB 3.29Å; D490-A493 PolarHBondContact O-N 3.3Å; D490-A493 PolarHBondContact OD2-N 3.12Å; V491-A493 VanDerWaalsContact C-N 3.34Å; V491-A493 PolarHBondContact O-N 3.09Å; A493-M495 VanDerWaalsContact C-N 3.32Å; A493-M495 PolarHBondContact O-N 3.4Å; A493-R496 PolarHBondContact O-N 3.33Å; A493-R496 VanDerWaalsContact O-N 3.08Å; A493-V497 WeakPolarHBondContact O-CG2 3.32Å; A493-V497 PolarHBondContact O-N 2.96Å
494I97.4Very high96.3Very high2 Ų263.3 Ų63.31%0.0133%0.332CS..Hα-helixtrans-57-45.5174.6-66.6166.5000110.7Y462 M466 C483 R484 L487 D490 V491 R496 V497 H498Y462-I494 HydrophobicContact CD2-CG1 4.29Å; Y462-I494 HydrophobicContact CE2-CG1 4Å; M466-I494 HydrophobicContact CE-CG2 3.81Å; C483-I494 HydrophobicContact CB-CG2 4.14Å; R484-I494 HydrophobicContact CB-CG2 4.37Å; L487-I494 HydrophobicContact CB-CD1 3.96Å; L487-I494 HydrophobicContact CB-CG1 4.44Å; L487-I494 HydrophobicContact CD1-CG2 4.48Å; L487-I494 WeakPolarHBondContact O-CD1 3.03Å; D490-I494 PolarHBondContact O-N 2.89Å; V491-I494 PolarHBondContact O-N 2.85Å; I494-R496 VanDerWaalsContact C-N 3.33Å; I494-R496 PolarHBondContact O-N 3.14Å; I494-V497 PolarHBondContact O-N 3.06Å; I494-H498 WeakPolarHBondContact O-CB 3Å; I494-H498 PolarHBondContact O-N 2.75Å
495M96.6Very high96.3Very high105 Ų10557.7 Ų57.752%0.51731%0.312SS..Hα-helixtrans-62.5-35.7175.2-72.8174.47200113S480 V491 A493 A499S480-M495 WeakPolarHBondContact OG-CG 3.45Å; V491-M495 HydrophobicContact CG2-SD 4.25Å; V491-M495 WeakPolarHBondContact O-CB 3.43Å; V491-M495 VanDerWaalsContact O-CG 3.26Å; V491-M495 WeakPolarHBondContact O-CG 3.24Å; V491-M495 PolarHBondContact O-N 3Å; A493-M495 VanDerWaalsContact C-N 3.32Å; A493-M495 PolarHBondContact O-N 3.4Å; M495-A499 VanDerWaalsContact O-CB 3.31Å; M495-A499 WeakPolarHBondContact O-CB 3.48Å; M495-A499 PolarHBondContact O-N 2.98Å
496R97.9Very high96.3Very high106 Ų10649.1 Ų49.140%0.428%0.28SS..Hα-helixtrans-72-36.5175.4-78.6-172.9-64.4-82.8-0.7113.1L443 E445 D490 C492 A493 I494 F500L443-R496 HydrophobicContact CD2-CB 3.87Å; E445-R496 IonicContact OE1-CZ 3.36Å; E445-R496 IonicContact OE1-NE 2.77Å; E445-R496 PolarHBondContact OE1-NE 3.44Å; E445-R496 IonicContact OE1-NH2 2.77Å; E445-R496 PolarHBondContact OE1-NH2 3.03Å; E445-R496 IonicContact OE2-CZ 3.72Å; E445-R496 IonicContact OE2-NH2 2.68Å; E445-R496 PolarHBondContact OE2-NH2 2.9Å; D490-R496 IonicContact OD2-NH2 3.59Å; C492-R496 WeakPolarHBondContact O-CG 3.47Å; C492-R496 PolarHBondContact O-N 3.37Å; C492-R496 PolarHBondContact O-NH1 3.23Å; C492-R496 VanDerWaalsContact O-NH1 3.11Å; A493-R496 PolarHBondContact O-N 3.33Å; A493-R496 VanDerWaalsContact O-N 3.08Å; I494-R496 VanDerWaalsContact C-N 3.33Å; I494-R496 PolarHBondContact O-N 3.14Å; R496-F500 WeakPolarHBondContact O-CB 3.41Å; R496-F500 PolarHBondContact O-N 3.28Å
497V97.9Very high96.4Very high0 Ų044 Ų440%025%0.252CS..Hα-helixtrans-64.6-47.7173.51780000110L443 F446 Y459 Y462 R463 M466 A493 I494 F500 L501L443-V497 HydrophobicContact CD1-CG2 4.13Å; F446-V497 HydrophobicContact CE2-CG2 3.85Å; F446-V497 HydrophobicContact CZ-CG2 4.02Å; Y459-V497 HydrophobicContact CD2-CG2 3.93Å; Y459-V497 HydrophobicContact CE2-CG1 4.06Å; Y459-V497 HydrophobicContact CE2-CG2 3.92Å; Y462-V497 HydrophobicContact CD2-CG2 4.45Å; R463-V497 HydrophobicContact CB-CG1 4.14Å; M466-V497 HydrophobicContact CE-CB 3.98Å; M466-V497 HydrophobicContact CE-CG1 3.93Å; M466-V497 HydrophobicContact SD-CB 4.28Å; M466-V497 HydrophobicContact SD-CG1 3.82Å; A493-V497 WeakPolarHBondContact O-CG2 3.32Å; A493-V497 PolarHBondContact O-N 2.96Å; I494-V497 PolarHBondContact O-N 3.06Å; V497-F500 PolarHBondContact O-N 3.09Å; V497-L501 HydrophobicContact CG1-CD1 4.13Å; V497-L501 WeakPolarHBondContact O-CG 3.37Å; V497-L501 PolarHBondContact O-N 3.07Å
498H98.3Very high96.5Very high9 Ų943 Ų434%0.04225%0.247CC..Hα-helixtrans-56.9-55176.8174-88.5000111.9M466 L478 I494 F500 L501 E502 I507M466-H498 HydrophobicContact CE-CB 4.34Å; M466-H498 HydrophobicContact SD-CB 3.82Å; L478-H498 PolarHBondContact O-NE2 3.23Å; I494-H498 WeakPolarHBondContact O-CB 3Å; I494-H498 PolarHBondContact O-N 2.75Å; H498-F500 VanDerWaalsContact C-N 3.29Å; H498-F500 PolarHBondContact O-N 2.99Å; H498-L501 PolarHBondContact O-N 3.37Å; H498-E502 IonicContact CE1-OE2 2.76Å; H498-E502 WeakPolarHBondContact O-CB 3.34Å; H498-E502 PolarHBondContact O-N 3.47Å; H498-I507 VanDerWaalsContact CD2-CD1 3.44Å; H498-I507 WeakPolarHBondContact CD2-CD1 3.47Å
499A97.5Very high96.6Very high48 Ų4843.3 Ų43.340%0.39723%0.229SC..Hα-helixtrans-62.7-32.6179.900000113.3M495 Q503M495-A499 VanDerWaalsContact O-CB 3.31Å; M495-A499 WeakPolarHBondContact O-CB 3.48Å; M495-A499 PolarHBondContact O-N 2.98Å; A499-Q503 WeakPolarHBondContact O-CB 3.23Å; A499-Q503 PolarHBondContact O-N 2.69Å
500F98.3Very high96.7Very high10 Ų1042.4 Ų42.44%0.04421%0.211CC..Hα-helixtrans-66.6-45.3174.3168.5-95.5000112W429 I438 E439 A442 L443 R496 V497 H498 E502 Q503 W504W429-F500 HydrophobicContact CH2-CE1 4.33Å; W429-F500 AromaticContact CH2-CZ 3.88Å; W429-F500 HydrophobicContact CH2-CZ 3.88Å; W429-F500 HydrophobicContact CZ2-CZ 4.43Å; I438-F500 HydrophobicContact CG2-CE2 4.27Å; I438-F500 HydrophobicContact CG2-CZ 4.28Å; E439-F500 HydrophobicContact CB-CE1 4.5Å; E439-F500 HydrophobicContact CB-CZ 4.29Å; E439-F500 HydrophobicContact CG-CE1 3.84Å; E439-F500 HydrophobicContact CG-CZ 3.76Å; A442-F500 HydrophobicContact CB-CD2 3.54Å; A442-F500 HydrophobicContact CB-CE2 3.35Å; A442-F500 HydrophobicContact CB-CZ 4.35Å; L443-F500 HydrophobicContact CD1-CB 3.98Å; L443-F500 HydrophobicContact CD1-CD1 3.9Å; L443-F500 HydrophobicContact CD1-CG 3.87Å; L443-F500 HydrophobicContact CG-CB 4.47Å; L443-F500 HydrophobicContact CG-CG 4.37Å; R496-F500 WeakPolarHBondContact O-CB 3.41Å; R496-F500 PolarHBondContact O-N 3.28Å; V497-F500 PolarHBondContact O-N 3.09Å; H498-F500 VanDerWaalsContact C-N 3.29Å; H498-F500 PolarHBondContact O-N 2.99Å; F500-E502 VanDerWaalsContact C-N 3.35Å; F500-Q503 PolarHBondContact O-N 2.93Å; F500-W504 AromaticContact CD2-CD1 3.81Å; F500-W504 AromaticContact CD2-NE1 3.97Å; F500-W504 AromaticContact CE2-CD1 3.48Å; F500-W504 VanDerWaalsContact CE2-CD1 3.48Å; F500-W504 AromaticContact CE2-NE1 3.4Å; F500-W504 AromaticContact CZ-CD1 3.8Å; F500-W504 AromaticContact CZ-NE1 3.98Å; F500-W504 PolarHBondContact O-N 2.95Å
501L97.9Very high96.7Very high0 Ų039.6 Ų39.60%020%0.196CC..Hα-helixtrans-65.6-39.5178.1-67.7173.6000111.5R463 M466 I467 V497 H498 W504 G505 L506 I507R463-L501 HydrophobicContact CB-CD1 4.2Å; M466-L501 HydrophobicContact CB-CD1 3.86Å; M466-L501 HydrophobicContact SD-CD1 4.04Å; I467-L501 HydrophobicContact CD1-CD1 4.49Å; I467-L501 HydrophobicContact CD1-CD2 4.01Å; I467-L501 HydrophobicContact CG1-CD1 4.15Å; I467-L501 HydrophobicContact CG1-CD2 4.39Å; V497-L501 HydrophobicContact CG1-CD1 4.13Å; V497-L501 WeakPolarHBondContact O-CG 3.37Å; V497-L501 PolarHBondContact O-N 3.07Å; H498-L501 PolarHBondContact O-N 3.37Å; L501-W504 PolarHBondContact O-N 3.28Å; L501-G505 PolarHBondContact O-N 3.43Å; L501-L506 HydrophobicContact CB-CB 4.36Å; L501-L506 HydrophobicContact CD2-CB 4.12Å; L501-L506 HydrophobicContact CD2-CD1 3.73Å; L501-L506 PolarHBondContact O-N 2.92Å; L501-I507 HydrophobicContact CB-CD1 3.92Å; L501-I507 HydrophobicContact CB-CG1 3.82Å; L501-I507 HydrophobicContact CB-CG2 4.36Å; L501-I507 PolarHBondContact O-N 3.44Å
502E97Very high96.5Very high58 Ų5841.4 Ų41.427%0.27120%0.203SC..Hα-helixtrans-65.8-43.5175.3179.4166.9-113.700111.9Y477 H498 F500 W504 G505 I507 N508Y477-E502 WeakPolarHBondContact CE2-OE1 3.33Å; Y477-E502 PolarHBondContact OH-OE1 2.9Å; Y477-E502 PolarHBondContact OH-OE2 2.76Å; H498-E502 IonicContact CE1-OE2 2.76Å; H498-E502 WeakPolarHBondContact O-CB 3.34Å; H498-E502 PolarHBondContact O-N 3.47Å; F500-E502 VanDerWaalsContact C-N 3.35Å; E502-W504 PolarHBondContact O-N 3.39Å; E502-G505 PolarHBondContact O-N 3.47Å; E502-I507 HydrophobicContact CB-CD1 4.45Å; E502-I507 HydrophobicContact CB-CG1 4.04Å; E502-N508 HydrophobicContact CG-CB 4.33Å; E502-N508 WeakPolarHBondContact OE1-CB 3.02Å; E502-N508 PolarHBondContact OE1-ND2 3.06Å
503Q96.8Very high96.1Very high148 Ų14843.5 Ų43.569%0.69222%0.219SC*.Hα-helixtrans-59.3-33.6175.9179.8180-2.900112.7A499 F500A499-Q503 WeakPolarHBondContact O-CB 3.23Å; A499-Q503 PolarHBondContact O-N 2.69Å; F500-Q503 PolarHBondContact O-N 2.93Å
504W97.6Very high95.8Very high64 Ų6452.2 Ų52.224%0.24226%0.259CS..THydrogen-bonded Turntrans-89.41.7175.8-76.598.2000113.8Y426 A427 W429 I438 F500 L501 E502 L506Y426-W504 AromaticContact CD2-CE3 3.77Å; Y426-W504 HydrophobicContact CD2-CE3 3.77Å; Y426-W504 AromaticContact CD2-CZ3 3.94Å; Y426-W504 HydrophobicContact CD2-CZ3 3.94Å; Y426-W504 HydrophobicContact CE2-CE3 4.21Å; Y426-W504 WeakPolarHBondContact O-CZ3 3.32Å; A427-W504 VanDerWaalsContact CB-O 3.29Å; A427-W504 WeakPolarHBondContact CB-O 3.23Å; W429-W504 AromaticContact CE2-CE3 3.91Å; W429-W504 HydrophobicContact CZ2-CB 4.45Å; W429-W504 AromaticContact CZ2-CD2 3.61Å; W429-W504 HydrophobicContact CZ2-CD2 3.61Å; W429-W504 AromaticContact CZ2-CE2 3.94Å; W429-W504 AromaticContact CZ2-CE3 3.84Å; W429-W504 HydrophobicContact CZ2-CE3 3.84Å; W429-W504 AromaticContact CZ2-CG 3.86Å; W429-W504 HydrophobicContact CZ2-CG 3.86Å; W429-W504 HydrophobicContact CZ2-CZ2 4.47Å; W429-W504 HydrophobicContact CZ2-CZ3 4.38Å; W429-W504 AromaticContact NE1-CE3 3.34Å; W429-W504 VanDerWaalsContact NE1-CE3 3.34Å; W429-W504 AromaticContact NE1-CH2 3.8Å; W429-W504 AromaticContact NE1-CZ3 3.22Å; I438-W504 HydrophobicContact CD1-CH2 4.22Å; I438-W504 HydrophobicContact CD1-CZ2 4.44Å; I438-W504 HydrophobicContact CG2-CH2 4.49Å; I438-W504 HydrophobicContact CG2-CZ2 3.71Å; F500-W504 AromaticContact CD2-CD1 3.81Å; F500-W504 AromaticContact CD2-NE1 3.97Å; F500-W504 AromaticContact CE2-CD1 3.48Å; F500-W504 VanDerWaalsContact CE2-CD1 3.48Å; F500-W504 AromaticContact CE2-NE1 3.4Å; F500-W504 AromaticContact CZ-CD1 3.8Å; F500-W504 AromaticContact CZ-NE1 3.98Å; F500-W504 PolarHBondContact O-N 2.95Å; L501-W504 PolarHBondContact O-N 3.28Å; E502-W504 PolarHBondContact O-N 3.39Å; W504-L506 HydrophobicContact CB-CD1 4.16Å; W504-L506 HydrophobicContact CB-CG 4.18Å; W504-L506 PolarHBondContact O-N 2.96Å
505G96Very high95.4Very high4 Ų454.8 Ų54.84%0.04128%0.278CS..THydrogen-bonded Turntrans64.525.4-178.500000114P424 L501 E502P424-G505 WeakPolarHBondContact CD-O 3.43Å; L501-G505 PolarHBondContact O-N 3.43Å; E502-G505 PolarHBondContact O-N 3.47Å
506L97Very high95.1Very high11 Ų1153.9 Ų53.96%0.05827%0.268CS..SBendtrans-83.2-21.4173.8-64.6171000111.9I423 A427 W429 F430 L501 W504I423-L506 HydrophobicContact CG2-CD2 4.17Å; A427-L506 HydrophobicContact CB-CD2 4.09Å; W429-L506 HydrophobicContact CH2-CD1 4.43Å; F430-L506 HydrophobicContact CB-CD1 4.12Å; F430-L506 HydrophobicContact CB-CD2 3.74Å; F430-L506 HydrophobicContact CD1-CD2 3.93Å; F430-L506 HydrophobicContact CD2-CD1 3.69Å; F430-L506 HydrophobicContact CD2-CD2 4.38Å; F430-L506 HydrophobicContact CE2-CD1 4.33Å; F430-L506 HydrophobicContact CG-CD1 3.88Å; F430-L506 HydrophobicContact CG-CD2 3.73Å; F430-L506 HydrophobicContact CG-CG 4.47Å; L501-L506 HydrophobicContact CB-CB 4.36Å; L501-L506 HydrophobicContact CD2-CB 4.12Å; L501-L506 HydrophobicContact CD2-CD1 3.73Å; L501-L506 PolarHBondContact O-N 2.92Å; W504-L506 HydrophobicContact CB-CD1 4.16Å; W504-L506 HydrophobicContact CB-CG 4.18Å; W504-L506 PolarHBondContact O-N 2.96Å
507I97.2Very high94.8Very high1 Ų153 Ų531%0.00528%0.276CS..SBendtrans-132.9162.8165.565.2177.4000110.2I467 Y470 H498 L501 E502 Y509I467-I507 HydrophobicContact CG1-CG2 4.07Å; Y470-I507 HydrophobicContact CD1-CB 4Å; Y470-I507 HydrophobicContact CD1-CG2 4.13Å; Y470-I507 HydrophobicContact CG-CB 3.96Å; Y470-I507 HydrophobicContact CG-CG2 4.14Å; H498-I507 VanDerWaalsContact CD2-CD1 3.44Å; H498-I507 WeakPolarHBondContact CD2-CD1 3.47Å; L501-I507 HydrophobicContact CB-CD1 3.92Å; L501-I507 HydrophobicContact CB-CG1 3.82Å; L501-I507 HydrophobicContact CB-CG2 4.36Å; L501-I507 PolarHBondContact O-N 3.44Å; E502-I507 HydrophobicContact CB-CD1 4.45Å; E502-I507 HydrophobicContact CB-CG1 4.04Å; I507-Y509 PolarHBondContact O-N 3.03Å
508N96.6Very high94.4Very high1 Ų158.2 Ų58.21%0.00531%0.309CS..SBendtrans56.217.3175.5-61-16.9000115.8Y470 Y477 L478 E502 V511 R516Y470-N508 VanDerWaalsContact CE2-N 3.29Å; Y477-N508 HydrophobicContact CD2-CB 4.13Å; Y477-N508 HydrophobicContact CE2-CB 3.99Å; Y477-N508 WeakPolarHBondContact CE2-ND2 3.37Å; Y477-N508 VanDerWaalsContact CZ-ND2 3.3Å; L478-N508 WeakPolarHBondContact CB-OD1 3Å; L478-N508 PolarHBondContact N-OD1 3.02Å; L478-N508 PolarHBondContact O-ND2 3.2Å; E502-N508 HydrophobicContact CG-CB 4.33Å; E502-N508 WeakPolarHBondContact OE1-CB 3.02Å; E502-N508 PolarHBondContact OE1-ND2 3.06Å; N508-V511 HydrophobicContact CB-CG2 4.34Å; N508-R516 PolarHBondContact O-NH1 2.82Å; N508-R516 PolarHBondContact O-NH2 3.29Å; N508-R516 VanDerWaalsContact O-NH2 3.16Å
509Y96.2Very high93.9Very high100 Ų10063.9 Ų63.939%0.39235%0.346SS..SBendtrans-74.1-44.5-175.4-173.2-116.4000112.4I422 P424 Y470 I507 V511 R516I422-Y509 HydrophobicContact CG2-CD1 4.19Å; I422-Y509 HydrophobicContact CG2-CE1 3.93Å; I422-Y509 WeakPolarHBondContact O-CD1 3.4Å; P424-Y509 HydrophobicContact CG-CD1 4.19Å; P424-Y509 HydrophobicContact CG-CD2 3.89Å; P424-Y509 HydrophobicContact CG-CE1 4.03Å; P424-Y509 HydrophobicContact CG-CE2 3.74Å; P424-Y509 HydrophobicContact CG-CG 4.13Å; Y470-Y509 PolarHBondContact OH-N 3.33Å; I507-Y509 PolarHBondContact O-N 3.03Å; Y509-V511 VanDerWaalsContact C-N 3.3Å; Y509-V511 PolarHBondContact O-N 3.06Å; Y509-R516 PolarHBondContact O-NH2 2.83Å
510Q94.4Very high93.5Very high35 Ų3570.7 Ų70.716%0.16437%0.372CS..SBendtrans-83.90.7-175.4-62.7170.3-105.400114.2H420 I422 Y470H420-Q510 PolarHBondContact O-NE2 3.06Å; I422-Q510 HydrophobicContact CB-CG 3.93Å; I422-Q510 HydrophobicContact CD1-CG 4.34Å; I422-Q510 HydrophobicContact CG1-CG 4.33Å; Y470-Q510 PolarHBondContact OH-N 3.4Å
511V93.9Very high93Very high4 Ų473.1 Ų73.12%0.02440%0.4CS..SBendtrans-78.4132.6-173.6178.20000111.4Y470 P474 E476 Y477 N508 Y509 S515 R516Y470-V511 HydrophobicContact CE2-CG2 3.84Å; P474-V511 WeakPolarHBondContact O-CG2 3.49Å; E476-V511 WeakPolarHBondContact O-CG2 3.17Å; Y477-V511 HydrophobicContact CD2-CG1 4.22Å; N508-V511 HydrophobicContact CB-CG2 4.34Å; Y509-V511 VanDerWaalsContact C-N 3.3Å; Y509-V511 PolarHBondContact O-N 3.06Å; V511-S515 WeakPolarHBondContact CG1-OG 3.22Å; V511-R516 HydrophobicContact CG1-CG 3.98Å; V511-R516 PolarHBondContact O-NE 3.04Å; V511-R516 PolarHBondContact O-NH2 3.17Å
512D90.1Very high92.7Very high100 Ų10079 Ų7954%0.53544%0.438SS..  trans-60.9144.1-178.9-81.4-51.3000113.6E514 S515 R516D512-E514 PolarHBondContact O-N 3.25Å; D512-E514 VanDerWaalsContact O-N 3.14Å; D512-S515 PolarHBondContact O-N 3.35Å; D512-S515 VanDerWaalsContact O-N 3.07Å; D512-S515 PolarHBondContact O-OG 3.09Å; D512-R516 PolarHBondContact O-N 3.05Å
513S88.6Confident92.2Very high107 Ų10781.2 Ų81.275%0.74846%0.457SS*.THydrogen-bonded Turntrans-59.2-29.5-173.5-63.40000114.3
514E87.9Confident91.8Very high183 Ų18379 Ų7986%0.85546%0.456SS*.THydrogen-bonded Turntrans-81.3-24.917965.3-175.5153.400113.8D512D512-E514 PolarHBondContact O-N 3.25Å; D512-E514 VanDerWaalsContact O-N 3.14Å
515S89.2Confident91.3Very high57 Ų5780.2 Ų80.240%0.39947%0.47SS..THydrogen-bonded Turntrans-84.4-11.5179.670.40000113.4V511 D512 P517V511-S515 WeakPolarHBondContact CG1-OG 3.22Å; D512-S515 PolarHBondContact O-N 3.35Å; D512-S515 VanDerWaalsContact O-N 3.07Å; D512-S515 PolarHBondContact O-OG 3.09Å; S515-P517 WeakPolarHBondContact O-CD 3.44Å
516R91.6Very high90.5Very high85 Ų8585 Ų8532%0.32150%0.503SS..SBendtrans-73.2120.3176.5-66.4173.6-169.5-123.61.5110.2Y477 N508 Y509 V511 D512 T518Y477-R516 HydrophobicContact CD2-CB 4.31Å; Y477-R516 HydrophobicContact CD2-CG 3.99Å; Y477-R516 HydrophobicContact CE2-CG 4.36Å; N508-R516 PolarHBondContact O-NH1 2.82Å; N508-R516 PolarHBondContact O-NH2 3.29Å; N508-R516 VanDerWaalsContact O-NH2 3.16Å; Y509-R516 PolarHBondContact O-NH2 2.83Å; V511-R516 HydrophobicContact CG1-CG 3.98Å; V511-R516 PolarHBondContact O-NE 3.04Å; V511-R516 PolarHBondContact O-NH2 3.17Å; D512-R516 PolarHBondContact O-N 3.05Å; R516-T518 PolarHBondContact O-N 2.9Å
517P91.1Very high89.5Confident87 Ų8790.2 Ų90.257%0.56553%0.527SS*.  trans-62.1109.7179.9-24.335.2000112.5Y477 S515Y477-P517 HydrophobicContact CD1-CG 3.67Å; Y477-P517 HydrophobicContact CE1-CG 3.97Å; Y477-P517 HydrophobicContact CG-CG 4.22Å; S515-P517 WeakPolarHBondContact O-CD 3.44Å
518T88.6Confident88.8Confident111 Ų11195.8 Ų95.868%0.68155%0.552SS**PPolyproline II helixtrans-92.3153.9175.549.90000111.5R516 M520R516-T518 PolarHBondContact O-N 2.9Å; T518-M520 PolarHBondContact O-N 2.91Å
519P88.1Confident87.9Confident127 Ų127100.1 Ų100.183%0.82557%0.571SS**PPolyproline II helixtrans-62.5125.3171.9-21.533.7000111.2G521P519-G521 PolarHBondContact O-N 3.31Å
520M90.2Very high87.2Confident192 Ų192101 Ų10195%0.94659%0.587SS**PPolyproline II helixtrans-62126.2179.2-62.6-64.7-76.200111T518T518-M520 PolarHBondContact O-N 2.91Å
521G87.4Confident86.5Confident61 Ų61106.6 Ų106.663%0.62962%0.617SS**  trans-157.1177.5-179.300000112.1P519P519-G521 PolarHBondContact O-N 3.31Å
522P90.7Very high85.6Confident123 Ų123110.4 Ų110.480%0.79965%0.649SS**  trans-66.4154.1174.530.1-35.3000111.3
523P87.7Confident84.6Confident105 Ų105113.3 Ų113.368%0.68267%0.665SS**  trans-62.2147175.927.1-35000111.5T525P523-T525 PolarHBondContact O-N 3.28Å
524P87.1Confident83.7Confident101 Ų101112 Ų11266%0.65665%0.652SS**  trans-70.1114.5-175.127.4-34.3000112.1S526 H527P524-S526 VanDerWaalsContact C-N 3.28Å; P524-S526 PolarHBondContact O-N 3.18Å; P524-H527 PolarHBondContact O-CE1 2.76Å; P524-H527 VanDerWaalsContact O-CE1 3.25Å; P524-H527 PolarHBondContact O-ND1 3.24Å
525T88.3Confident82.2Confident89 Ų89107 Ų10755%0.54664%0.636SS.*  trans-84.78-177.254.70000114.4P523 H527 F528P523-T525 PolarHBondContact O-N 3.28Å; T525-H527 PolarHBondContact O-N 2.86Å; T525-F528 HydrophobicContact CG2-CD2 4.04Å; T525-F528 HydrophobicContact CG2-CE2 3.47Å; T525-F528 VanDerWaalsContact CG2-CE2 3.47Å; T525-F528 HydrophobicContact CG2-CZ 4.17Å; T525-F528 PolarHBondContact O-N 2.55Å; T525-F528 VanDerWaalsContact O-N 3.12Å
526S78.1Confident80.7Confident105 Ų105109.6 Ų109.673%0.73465%0.654SS**THydrogen-bonded Turntrans-66.6-3.5-175.257.70000115.4P524P524-S526 VanDerWaalsContact C-N 3.28Å; P524-S526 PolarHBondContact O-N 3.18Å
527H77.2Confident78.8Confident120 Ų120110.9 Ų110.956%0.55668%0.676SS**THydrogen-bonded Turntrans-98.5-4.8177.563.3-85.4000113P524 T525P524-H527 PolarHBondContact O-CE1 2.76Å; P524-H527 VanDerWaalsContact O-CE1 3.25Å; P524-H527 PolarHBondContact O-ND1 3.24Å; T525-H527 PolarHBondContact O-N 2.86Å
528F82.4Confident77.1Confident119 Ų119112.7 Ų112.752%0.52268%0.68SS.*SBendtrans-76.5141.5177.8-63.7-23.4000111.9T525 V530T525-F528 HydrophobicContact CG2-CD2 4.04Å; T525-F528 HydrophobicContact CG2-CE2 3.47Å; T525-F528 VanDerWaalsContact CG2-CE2 3.47Å; T525-F528 HydrophobicContact CG2-CZ 4.17Å; T525-F528 PolarHBondContact O-N 2.55Å; T525-F528 VanDerWaalsContact O-N 3.12Å; F528-V530 PolarHBondContact O-N 3.14Å
529H77.6Confident75.6Confident91 Ų91111.9 Ų111.942%0.42168%0.675SS.*  trans-69.6122.1169.6-54.3-42.1000110.2Q628H529-Q628 PolarHBondContact CD2-NE2 3Å
530V81.9Confident73.9Confident120 Ų120110.5 Ų110.573%0.72767%0.666SS**  trans-98.6105.9-178.9-179.40000109.2F528F528-V530 PolarHBondContact O-N 3.14Å
531L79.1Confident71.8Confident151 Ų151109.8 Ų109.879%0.79167%0.665SS**  trans-81.8134.4177-58.8179.4000111.1
532A75.4Confident69.9Low85 Ų85115 Ų11570%0.70267%0.673SS**  trans-84.9113.1173.600000111T534A532-T534 VanDerWaalsContact C-N 3.34Å; A532-T534 HydrophobicContact CB-CG2 4.29Å; A532-T534 PolarHBondContact O-N 3.4Å
533D67.9Low67.7Low160 Ų160114.5 Ų114.586%0.85667%0.67SS**  trans-75.385.8170.2-174.614.5000110.2P535D533-P535 WeakPolarHBondContact O-CD 3.41Å
534T70.1Confident65.5Low79 Ų79119.6 Ų119.649%0.48568%0.681SS.*  trans-86.8117.3176.957.60000110.5A532 S536A532-T534 VanDerWaalsContact C-N 3.34Å; A532-T534 HydrophobicContact CB-CG2 4.29Å; A532-T534 PolarHBondContact O-N 3.4Å; T534-S536 PolarHBondContact O-N 3.45Å
535P57.1Low63.2Low79 Ų79121 Ų12151%0.51369%0.688SS.*  trans-59.7134.3172.224-33000110D533 S537 L538D533-P535 WeakPolarHBondContact O-CD 3.41Å; P535-S537 PolarHBondContact O-N 3.17Å; P535-L538 HydrophobicContact CG-CD1 4.16Å; P535-L538 PolarHBondContact O-N 3.35Å
536S57Low60.8Low112 Ų112121.9 Ų121.978%0.78370%0.698SS**G310 helixtrans-54.6-14.3-166.7-164.60000115.9T534 L538T534-S536 PolarHBondContact O-N 3.45Å; S536-L538 VanDerWaalsContact C-N 3.28Å; S536-L538 PolarHBondContact O-N 3.23Å
537S52.5Low58.9Low111 Ų111125.4 Ų125.478%0.77670%0.703SS**G310 helixtrans-69.8-1317250.70000115.7P535P535-S537 PolarHBondContact O-N 3.17Å
538L54.1Low56.8Low126 Ų126125.5 Ų125.566%0.6671%0.712SS**G310 helixtrans-94.6-6.1-179.3-74.7169.6000114.4P535 S536 P540P535-L538 HydrophobicContact CG-CD1 4.16Å; P535-L538 PolarHBondContact O-N 3.35Å; S536-L538 VanDerWaalsContact C-N 3.28Å; S536-L538 PolarHBondContact O-N 3.23Å; L538-P540 WeakPolarHBondContact O-CD 3.48Å
539V57Low54.6Low94 Ų94125.7 Ų125.757%0.5773%0.726SS**SBendtrans-87.8116.7-179.7-177.80000109.9L541V539-L541 PolarHBondContact O-N 3.01Å
540P53.3Low52.7Low97 Ų97126.2 Ų126.263%0.6375%0.745SS**  trans-64.5136.2172.4-18.832.9000110.3L538 Q542L538-P540 WeakPolarHBondContact O-CD 3.48Å; P540-Q542 VanDerWaalsContact C-N 3.28Å; P540-Q542 PolarHBondContact O-N 2.88Å
541L46.9Very low50.5Low177 Ų177126.2 Ų126.293%0.92775%0.746SS**  trans-70.182.2176-74.6170.4000110.8V539 P543V539-L541 PolarHBondContact O-N 3.01Å; L541-P543 VanDerWaalsContact O-CD 3.24Å; L541-P543 WeakPolarHBondContact O-CD 3.24Å
542Q47.5Very low48.5Very low170 Ų170127.4 Ų127.479%0.79475%0.747SS**  trans-69.6115.4173.2-70-177.1-15.600110.3P540 K544P540-Q542 VanDerWaalsContact C-N 3.28Å; P540-Q542 PolarHBondContact O-N 2.88Å; Q542-K544 PolarHBondContact O-N 3.09Å
543P42.8Very low47.3Very low114 Ų114128.1 Ų128.174%0.7475%0.745SS**  trans-68.3126.1166.229.6-32.2000108.5L541 T545L541-P543 VanDerWaalsContact O-CD 3.24Å; L541-P543 WeakPolarHBondContact O-CD 3.24Å; P543-T545 PolarHBondContact O-N 3.23Å
544K41.7Very low45.5Very low212 Ų212128.2 Ų128.292%0.92274%0.742SS**  trans-62.8106.1-179.5-68.3-169.6176.7-1690110.9Q542Q542-K544 PolarHBondContact O-N 3.09Å
545T39.7Very low44Very low129 Ų129132 Ų13279%0.79176%0.757SS**PPolyproline II helixtrans-72.4123.316646.40000109.3P543 Q547P543-T545 PolarHBondContact O-N 3.23Å; T545-Q547 PolarHBondContact O-N 3.15Å
546S38.1Very low42.4Very low109 Ų109133.3 Ų133.376%0.76277%0.769SS**PPolyproline II helixtrans-68.7123.2169.1-171.80000108.7
547Q37.7Very low41.5Very low178 Ų178137.4 Ų137.483%0.83277%0.773SS**PPolyproline II helixtrans-62.5140.5164.4-68.1-179.30.500109T545T545-Q547 PolarHBondContact O-N 3.15Å
548T34Very low41Very low122 Ų122137.4 Ų137.475%0.74877%0.77SS**  trans-130.1136.2161.941.30000108.1
549P35.6Very low39.9Very low124 Ų124137.2 Ų137.281%0.80577%0.77SS**  trans-67.5143.9-174.228.6-35.1000111.4T551P549-T551 PolarHBondContact O-N 2.84Å
550A36.8Very low38.7Very low101 Ų101140.6 Ų140.684%0.83578%0.777SS**  trans-77.6119.6-178.300000111.8
551T35.7Very low37.7Very low120 Ų120142.4 Ų142.474%0.73679%0.786SS**  trans-165.2135.8159.1-0.50000112.2P549P549-T551 PolarHBondContact O-N 2.84Å
552Q37.6Very low36.8Very low176 Ų176142.1 Ų142.182%0.82278%0.777SS**  trans70.6153.4168.2-60.1-66.3-40.600117.6
553P50.8Low35.9Very low101 Ų101140.8 Ų140.866%0.65677%0.771SS**  trans-131.6175.9-144.343.5-28.1000117.4
554M30.6Very low35.7Very low161 Ų161144.8 Ų144.879%0.79378%0.776SS**  trans75.1126.8156.8-78-148.9-68.400121.3
555I36.7Very low35.1Very low158 Ų158140.2 Ų140.281%0.8177%0.768SS**  trans68.191.2150.1-51.9156.6000117.3
556S24.2Very low34.5Very low107 Ų107140.5 Ų140.575%0.74877%0.771SS**  -167.2139.4129.4-169.10000112.1
557F39.1Very low34.2Very low199 Ų199142.5 Ų142.587%0.87377%0.773SS**  trans-139.6141.2163-84.5-72.8000107.1
558P41.8Very low33.9Very low111 Ų111140.3 Ų140.372%0.72177%0.766SS**  -149.4152.798.738.9-22.9000116.5
559D30.9Very low33.8Very low121 Ų121142.4 Ų142.465%0.64777%0.767SS**  trans49.4133139.8-74.714000123
560K32.1Very low33.6Very low165 Ų165144.5 Ų144.572%0.71777%0.772SS**  cis-154.5-176-6.2-132.1171.1-168.576.10111.8
561V31.2Very low33.1Very low135 Ų135147.7 Ų147.782%0.81877%0.767SS**  trans-115.3163.9-150.5-55.80000114.2
562K29.1Very low32.9Very low171 Ų171144.9 Ų144.974%0.74376%0.761SS**  trans-139.7125159-117.9-151.9177.5-143.30113.6
563E28.5Very low32.7Very low143 Ų143143.8 Ų143.867%0.66876%0.76SS**  trans63.9102.6145.7-72.6168.6-14800122.4
564K36.8Very low31.7Very low197 Ų197148.8 Ų148.886%0.85777%0.766SS**  trans60.1159.1135.8-77.4-169.7174.6-172.10120
565P29.6Very low31.9Very low116 Ų116147.4 Ų147.475%0.75377%0.767SS**  cis-105.1176.2-3.739.6-31.2000113.3
566T27.6Very low31.9Very low136 Ų136145 Ų14583%0.83476%0.756SS**  trans-127.7103.8168.6-52.20000108.1
567D31.4Very low32.5Very low151 Ų151148.2 Ų148.281%0.80776%0.761SS**  trans-116.694.1172.7-175.914.9000108.4
568L32.4Very low32.5Very low131 Ų131149.6 Ų149.669%0.68676%0.762SS**  trans-152.195.9175.2-81.6-175.3000110.1
569Q31.6Very low32.3Very low167 Ų167148.5 Ų148.578%0.7876%0.757SS**  trans-15860.6137.3-113.9167.438.800112.5F571Q569-F571 HydrophobicContact CG-CD2 4.24Å; Q569-F571 HydrophobicContact CG-CE2 4.29Å; Q569-F571 PolarHBondContact O-N 3.04Å
570N30.3Very low32.4Very low168 Ų168151 Ų15190%0.89876%0.762SS**  trans-63.986.7157.6-92.6-20.8000109.7G572N570-G572 PolarHBondContact O-N 3.4Å
571F27.1Very low32.3Very low168 Ų168152.3 Ų152.374%0.73777%0.768SS**  trans-77.762.2154.9-94.1-79000109.4Q569 L573Q569-F571 HydrophobicContact CG-CD2 4.24Å; Q569-F571 HydrophobicContact CG-CE2 4.29Å; Q569-F571 PolarHBondContact O-N 3.04Å; F571-L573 PolarHBondContact O-N 2.97Å
572G31Very low32.5Very low60 Ų60152.8 Ų152.862%0.61977%0.772SS**  trans-62.7117.4167.800000108.8N570 R574N570-G572 PolarHBondContact O-N 3.4Å; G572-R574 PolarHBondContact O-N 3.25Å
573L33.1Very low32.4Very low153 Ų153147.9 Ų147.980%0.80177%0.77SS**  trans-55.9131.2172.2-168.870.6000108.4F571 T575F571-L573 PolarHBondContact O-N 2.97Å; L573-T575 PolarHBondContact O-N 3.46Å; L573-T575 PolarHBondContact O-OG1 3.1Å
574R30.7Very low33Very low206 Ų206147.8 Ų147.878%0.77778%0.784SS**  trans-66.681.8177.5-83-174.4169-176.4-5.1110.2G572 D576G572-R574 PolarHBondContact O-N 3.25Å; R574-D576 PolarHBondContact O-N 3.44Å
575T34.1Very low32.7Very low132 Ų132142.7 Ų142.781%0.8178%0.779SS**  trans-79.248177.2-45.50000110.9L573L573-T575 PolarHBondContact O-N 3.46Å; L573-T575 PolarHBondContact O-OG1 3.1Å
576D36.7Very low33.3Very low107 Ų107145.1 Ų145.157%0.57278%0.778SS**  trans-150.539.3178.8-157.22.7000113.8R574 Y578 S579R574-D576 PolarHBondContact O-N 3.44Å; D576-Y578 PolarHBondContact O-N 2.95Å; D576-S579 WeakPolarHBondContact OD1-CB 3.46Å; D576-S579 PolarHBondContact OD1-N 3.43Å; D576-S579 PolarHBondContact OD1-OG 3.35Å
577M38.1Very low33.5Very low176 Ų176144.4 Ų144.487%0.86778%0.778SS**SBendtrans-84.421.3173.7-146.6175.276.100112.8
578Y39.5Very low33.8Very low228 Ų228147 Ų14789%0.89478%0.782SS**SBendtrans-148.29.9-179.4-121.6-82.2000117.4D576D576-Y578 PolarHBondContact O-N 2.95Å
579S36.3Very low33.7Very low88 Ų88146.4 Ų146.462%0.61579%0.79SS**  trans-86.2-11.4171.9-56.70000114.7D576 K581D576-S579 WeakPolarHBondContact OD1-CB 3.46Å; D576-S579 PolarHBondContact OD1-N 3.43Å; D576-S579 PolarHBondContact OD1-OG 3.35Å; S579-K581 VanDerWaalsContact C-N 3.28Å; S579-K581 PolarHBondContact O-N 2.89Å
580K32.8Very low33.6Very low173 Ų173141.6 Ų141.675%0.75279%0.785SS**  trans-8262.2-175.4-158.4142.1-171161.60113.8E646K580-E646 IonicContact NZ-OE2 3.74Å; K580-E646 PolarHBondContact NZ-OE2 3.12Å
581K31.1Very low33.9Very low192 Ų192140.7 Ų140.784%0.83579%0.785SS**SBendtrans-148.3125.2149.2-147.8168.4-170.1174.70113.6S579S579-K581 VanDerWaalsContact C-N 3.28Å; S579-K581 PolarHBondContact O-N 2.89Å
582T34.2Very low34.2Very low146 Ų146137.6 Ų137.690%0.89678%0.784SS**  trans-56.2128.617941.60000113.1
583G27.9Very low34.6Very low68 Ų68140.7 Ų140.770%0.70180%0.796SS**  trans-179.3116.2174.400000112.4A585G583-A585 PolarHBondContact O-N 3.19Å; G583-A585 VanDerWaalsContact O-N 3.09Å
584S40.1Very low35.5Very low140 Ų140138.7 Ų138.798%0.97978%0.784SS**  trans-67.8103.6178.31800000111.2
585A32.1Very low37.4Very low90 Ų90136.9 Ų136.974%0.74478%0.777SS**  trans-155.3115.917500000112.4G583 S587G583-A585 PolarHBondContact O-N 3.19Å; G583-A585 VanDerWaalsContact O-N 3.09Å; A585-S587 PolarHBondContact O-N 3.13Å
586K40.7Very low39.8Very low167 Ų167137.3 Ų137.373%0.72677%0.77SS**  trans-47.3121-178.1-79.1168.5168.8160.70115.4K588K586-K588 PolarHBondContact O-N 3.38Å
587S31.5Very low42.2Very low121 Ų121135 Ų13585%0.84675%0.753SS**  trans-79.288.7164.646.10000111.4A585 S589A585-S587 PolarHBondContact O-N 3.13Å; S587-S589 PolarHBondContact O-N 2.91Å; S587-S589 VanDerWaalsContact O-N 3.09Å
588K39Very low44.8Very low205 Ų205129.1 Ų129.189%0.89173%0.727SS**  trans-74.197.3170.2-85.9-170.6172.8-177.10111.3K586K586-K588 PolarHBondContact O-N 3.38Å
589S30.7Very low47.1Very low120 Ų120126.7 Ų126.784%0.83972%0.724SS**  trans-108.1169.1158.1-163.90000111.1S587 V591S587-S589 PolarHBondContact O-N 2.91Å; S587-S589 VanDerWaalsContact O-N 3.09Å; S589-V591 PolarHBondContact O-N 3.12Å
590G28.9Very low49.7Very low66 Ų66128 Ų12868%0.6872%0.721SS**SBendtrans-64.7115.1-159.100000116.8S592G590-S592 PolarHBondContact O-N 3.43Å
591V36.2Very low52.5Low148 Ų148120.2 Ų120.290%0.89769%0.687SS**  trans3866.9141.4-160.90000116.6S589S589-V591 PolarHBondContact O-N 3.12Å
592S33Very low55.4Low103 Ų103112.5 Ų112.572%0.7266%0.656SS**  trans-129.4109.8136.3-173.30000107.6G590 M594G590-S592 PolarHBondContact O-N 3.43Å; S592-M594 VanDerWaalsContact C-N 3.25Å; S592-M594 PolarHBondContact O-N 2.94Å
593S39Very low58.1Low125 Ų125110.2 Ų110.287%0.87464%0.638SS**  trans-88.352.5-167.2-171.80000112.8
594M52.4Low61.2Low112 Ų112108.9 Ų108.955%0.55262%0.615SS**PPolyproline II helixtrans-74.8136.5161.7-58-161.197.100108.8S592 E630S592-M594 VanDerWaalsContact C-N 3.25Å; S592-M594 PolarHBondContact O-N 2.94Å; M594-E630 HydrophobicContact CE-CG 3.68Å; M594-E630 WeakPolarHBondContact CE-OE2 3.37Å; M594-E630 HydrophobicContact SD-CG 4.01Å
595R71.9Confident63.7Low167 Ų167102.2 Ų102.263%0.6357%0.568SS**PPolyproline II helixtrans-61.2138.4-173.9-170.2-168.2-166.8-159.49.3110.1E601 R626R595-E601 IonicContact CZ-OE1 2.71Å; R595-E601 IonicContact NH1-OE1 3.38Å; R595-E601 PolarHBondContact NH1-OE1 2.97Å; R595-R626 VanDerWaalsContact O-CZ 3.3Å; R595-R626 PolarHBondContact O-NH1 2.88Å; R595-R626 PolarHBondContact O-NH2 3.04Å
596E83.9Confident66.6Low141 Ų141101.9 Ų101.966%0.65955%0.553SS**PPolyproline II helixtrans-56.7137.9170.2-165.5160.9-147.600109.6R626E596-R626 PolarHBondContact O-NH2 3.15Å
597W87.7Confident69.1Low58 Ų5897.9 Ų97.922%0.2254%0.537CS..PPolyproline II helixtrans-70134.2-176.7-85.580.6000111E601 L605 V623 R626 E630 H634W597-E601 WeakPolarHBondContact CA-OE2 3.33Å; W597-E601 HydrophobicContact CE3-CB 3.59Å; W597-E601 HydrophobicContact CZ3-CB 3.88Å; W597-L605 HydrophobicContact CH2-CB 4.49Å; W597-L605 HydrophobicContact CH2-CD2 3.95Å; W597-L605 HydrophobicContact CZ3-CB 4.14Å; W597-L605 HydrophobicContact CZ3-CD2 4.06Å; W597-V623 HydrophobicContact CH2-CG1 4.33Å; W597-V623 HydrophobicContact CZ3-CG1 4.28Å; W597-R626 HydrophobicContact CH2-CB 4.07Å; W597-R626 HydrophobicContact CH2-CG 3.67Å; W597-R626 HydrophobicContact CZ2-CB 4.16Å; W597-R626 HydrophobicContact CZ2-CG 3.76Å; W597-R626 HydrophobicContact CZ3-CG 4.1Å; W597-E630 HydrophobicContact CZ2-CB 4.07Å; W597-E630 WeakPolarHBondContact CZ2-O 3.48Å; W597-H634 AromaticContact CD1-CG 4Å; W597-H634 AromaticContact CD1-ND1 3.83Å; W597-H634 HydrophobicContact CD2-CB 4.12Å; W597-H634 AromaticContact CD2-CD2 3.27Å; W597-H634 AromaticContact CD2-CG 3.58Å; W597-H634 AromaticContact CD2-NE2 3.57Å; W597-H634 AromaticContact CE2-CD2 3.64Å; W597-H634 AromaticContact CE2-CG 3.54Å; W597-H634 AromaticContact CE3-CD2 3.25Å; W597-H634 AromaticContact CE3-NE2 3.59Å; W597-H634 AromaticContact CG-CD2 3.8Å; W597-H634 AromaticContact CG-CE1 3.68Å; W597-H634 AromaticContact CG-CG 3.89Å; W597-H634 AromaticContact CG-ND1 3.81Å; W597-H634 AromaticContact CG-NE2 3.66Å; W597-H634 HydrophobicContact CH2-CB 4.11Å; W597-H634 AromaticContact CH2-CD2 3.95Å; W597-H634 HydrophobicContact CZ2-CB 3.53Å; W597-H634 AromaticContact CZ2-CD2 3.97Å; W597-H634 AromaticContact CZ2-CG 3.94Å; W597-H634 AromaticContact CZ3-CD2 3.61Å; W597-H634 AromaticContact NE1-CG 3.81Å
598T91.3Very high72Confident53 Ų5392.1 Ų92.133%0.32550%0.497SS..PPolyproline II helixtrans-89.3159.4173.468.90000111.5Q600 E601 T602T598-Q600 VanDerWaalsContact C-N 3.27Å; T598-Q600 PolarHBondContact O-N 2.78Å; T598-E601 PolarHBondContact N-OE2 2.89Å; T598-E601 PolarHBondContact O-N 3.25Å; T598-E601 WeakPolarHBondContact OG1-CB 3.39Å; T598-E601 VanDerWaalsContact OG1-CD 3.31Å; T598-E601 WeakPolarHBondContact OG1-CG 3.44Å; T598-E601 PolarHBondContact OG1-N 3.44Å; T598-E601 VanDerWaalsContact OG1-N 3.11Å; T598-E601 PolarHBondContact OG1-OE2 3.49Å; T598-T602 WeakPolarHBondContact O-CB 3.49Å; T598-T602 PolarHBondContact O-N 2.91Å; T598-T602 PolarHBondContact O-OG1 2.78Å
599E88.6Confident74.5Confident177 Ų17783.4 Ų83.483%0.82746%0.46SS*.Hα-helixtrans-59.1-39.3173.9-65.1173.6-175.300111.4T602 L603E599-T602 PolarHBondContact O-N 2.97Å; E599-L603 WeakPolarHBondContact O-CB 3.43Å; E599-L603 PolarHBondContact O-N 3.5Å
600Q90.8Very high77.4Confident116 Ų11685.5 Ų85.554%0.54246%0.456SS..Hα-helixtrans-66.7-42.7176.8-175.56253.100112.8T598 T602 L603 L604T598-Q600 VanDerWaalsContact C-N 3.27Å; T598-Q600 PolarHBondContact O-N 2.78Å; Q600-T602 VanDerWaalsContact C-N 3.27Å; Q600-T602 PolarHBondContact O-N 3.48Å; Q600-L603 PolarHBondContact O-N 2.95Å; Q600-L604 HydrophobicContact CG-CD1 4.42Å; Q600-L604 WeakPolarHBondContact O-CG 3.36Å; Q600-L604 PolarHBondContact O-N 3.4Å
601E92Very high80.3Confident9 Ų986.8 Ų86.84%0.04245%0.446CS..Hα-helixtrans-62.2-38173.6-71.3164.7170.300110.7R595 W597 T598 L605 R626R595-E601 IonicContact CZ-OE1 2.71Å; R595-E601 IonicContact NH1-OE1 3.38Å; R595-E601 PolarHBondContact NH1-OE1 2.97Å; W597-E601 WeakPolarHBondContact CA-OE2 3.33Å; W597-E601 HydrophobicContact CE3-CB 3.59Å; W597-E601 HydrophobicContact CZ3-CB 3.88Å; T598-E601 PolarHBondContact N-OE2 2.89Å; T598-E601 PolarHBondContact O-N 3.25Å; T598-E601 WeakPolarHBondContact OG1-CB 3.39Å; T598-E601 VanDerWaalsContact OG1-CD 3.31Å; T598-E601 WeakPolarHBondContact OG1-CG 3.44Å; T598-E601 PolarHBondContact OG1-N 3.44Å; T598-E601 VanDerWaalsContact OG1-N 3.11Å; T598-E601 PolarHBondContact OG1-OE2 3.49Å; E601-L605 WeakPolarHBondContact O-CB 3.42Å; E601-L605 PolarHBondContact O-N 3.1Å; E601-R626 IonicContact OE1-NE 3.79Å; E601-R626 IonicContact OE1-NH2 3.88Å; E601-R626 IonicContact OE2-CZ 3.71Å; E601-R626 IonicContact OE2-NE 2.78Å; E601-R626 PolarHBondContact OE2-NE 2.94Å; E601-R626 IonicContact OE2-NH2 3.73Å; E601-R626 PolarHBondContact OE2-NH2 3.42Å
602T90.8Very high83Confident30 Ų3083.8 Ų83.818%0.18442%0.419CS..Hα-helixtrans-71.2-36.4178.4-52.70000112.3T598 E599 Q600 L605 L606 H634 L638T598-T602 WeakPolarHBondContact O-CB 3.49Å; T598-T602 PolarHBondContact O-N 2.91Å; T598-T602 PolarHBondContact O-OG1 2.78Å; E599-T602 PolarHBondContact O-N 2.97Å; Q600-T602 VanDerWaalsContact C-N 3.27Å; Q600-T602 PolarHBondContact O-N 3.48Å; T602-L605 WeakPolarHBondContact O-CB 3.48Å; T602-L605 PolarHBondContact O-N 3.49Å; T602-L606 WeakPolarHBondContact O-CG 3.4Å; T602-L606 PolarHBondContact O-N 2.72Å; T602-L606 VanDerWaalsContact O-N 3.11Å; T602-H634 PolarHBondContact OG1-NE2 3.08Å; T602-L638 HydrophobicContact CG2-CD2 4.05Å
603L92.6Very high85.7Confident99 Ų9985.7 Ų85.752%0.51841%0.414SS..Hα-helixtrans-64.8-47.3173.6-171.4159.4000110.9E599 Q600 L605 L606 E607E599-L603 WeakPolarHBondContact O-CB 3.43Å; E599-L603 PolarHBondContact O-N 3.5Å; Q600-L603 PolarHBondContact O-N 2.95Å; L603-L605 VanDerWaalsContact C-N 3.27Å; L603-L605 PolarHBondContact O-N 3.06Å; L603-L606 PolarHBondContact O-N 2.79Å; L603-L606 VanDerWaalsContact O-N 3.16Å; L603-E607 PolarHBondContact O-N 2.65Å
604L93Very high88Confident40 Ų4086 Ų8621%0.20941%0.406CS..Hα-helixtrans-60.8-36.1175.2-70168.5000111.9Q600 G608 H622 V623Q600-L604 HydrophobicContact CG-CD1 4.42Å; Q600-L604 WeakPolarHBondContact O-CG 3.36Å; Q600-L604 PolarHBondContact O-N 3.4Å; L604-G608 PolarHBondContact O-N 3.41Å; L604-H622 PolarHBondContact O-CD2 2.99Å; L604-V623 HydrophobicContact CB-CG2 4.18Å
605L92.7Very high89.7Confident0 Ų083.1 Ų83.10%039%0.393CS..Hα-helixtrans-61.4-46.5174.2176.462.1000111.3W597 E601 T602 L603 G608 L609 V619 V623 C631 H634 F635W597-L605 HydrophobicContact CH2-CB 4.49Å; W597-L605 HydrophobicContact CH2-CD2 3.95Å; W597-L605 HydrophobicContact CZ3-CB 4.14Å; W597-L605 HydrophobicContact CZ3-CD2 4.06Å; E601-L605 WeakPolarHBondContact O-CB 3.42Å; E601-L605 PolarHBondContact O-N 3.1Å; T602-L605 WeakPolarHBondContact O-CB 3.48Å; T602-L605 PolarHBondContact O-N 3.49Å; L603-L605 VanDerWaalsContact C-N 3.27Å; L603-L605 PolarHBondContact O-N 3.06Å; L605-G608 PolarHBondContact O-N 3.48Å; L605-L609 HydrophobicContact CD1-CD1 4Å; L605-L609 HydrophobicContact CD1-CG 4.32Å; L605-L609 HydrophobicContact CG-CD1 3.96Å; L605-L609 WeakPolarHBondContact O-CB 3.27Å; L605-L609 WeakPolarHBondContact O-CD1 3.36Å; L605-L609 WeakPolarHBondContact O-CG 3.37Å; L605-L609 PolarHBondContact O-N 2.89Å; L605-V619 HydrophobicContact CD1-CG1 3.5Å; L605-V623 HydrophobicContact CB-CG2 3.96Å; L605-V623 HydrophobicContact CD1-CG2 4.39Å; L605-C631 HydrophobicContact CD1-CB 3.72Å; L605-H634 HydrophobicContact CD2-CB 4.04Å; L605-F635 HydrophobicContact CD2-CB 4.37Å
606L92.3Very high90.6Very high83 Ų8377.7 Ų77.744%0.43537%0.372SS..Hα-helixtrans-67.4-41.5179.4-69.6171.5000112.5T602 L603 L609 E610 L638T602-L606 WeakPolarHBondContact O-CG 3.4Å; T602-L606 PolarHBondContact O-N 2.72Å; T602-L606 VanDerWaalsContact O-N 3.11Å; L603-L606 PolarHBondContact O-N 2.79Å; L603-L606 VanDerWaalsContact O-N 3.16Å; L606-L609 PolarHBondContact O-N 2.76Å; L606-E610 PolarHBondContact O-N 3.15Å; L606-L638 HydrophobicContact CD2-CD1 3.82Å; L606-L638 HydrophobicContact CG-CD1 4.42Å
607E93.4Very high90.9Very high82 Ų8274.8 Ų74.838%0.38336%0.361SS..Hα-helixtrans-62.4-45.5174.6-169.6-169.7-168.400111.4L603 L609 E610 M611 H622L603-E607 PolarHBondContact O-N 2.65Å; E607-L609 VanDerWaalsContact C-N 3.32Å; E607-L609 PolarHBondContact O-N 3.01Å; E607-E610 PolarHBondContact O-N 3.14Å; E607-M611 HydrophobicContact CG-CE 4.19Å; E607-M611 WeakPolarHBondContact O-CG 3.31Å; E607-M611 PolarHBondContact O-N 3.27Å; E607-H622 VanDerWaalsContact CD-NE2 3.34Å; E607-H622 IonicContact OE2-CD2 2.58Å; E607-H622 IonicContact OE2-CE1 3.91Å; E607-H622 IonicContact OE2-NE2 3.51Å; E607-H622 PolarHBondContact OE2-NE2 3.04Å
608G91.3Very high91.1Very high0 Ų076.2 Ų76.20%037%0.369CS..Hα-helixtrans-61.6-38.1175.200000112.7L604 L605 Y612L604-G608 PolarHBondContact O-N 3.41Å; L605-G608 PolarHBondContact O-N 3.48Å; G608-Y612 WeakPolarHBondContact O-CA 3.37Å; G608-Y612 VanDerWaalsContact O-CB 3.31Å; G608-Y612 WeakPolarHBondContact O-CB 3.41Å; G608-Y612 VanDerWaalsContact O-CD2 3.31Å; G608-Y612 WeakPolarHBondContact O-CD2 3.23Å; G608-Y612 PolarHBondContact O-N 2.64Å
609L91.6Very high91.1Very high23 Ų2373.7 Ų73.712%0.1235%0.354CS..Hα-helixtrans-69.3-37.2174.9-74.3165.2000112.7L605 L606 E607 K613 W616 V619 F635L605-L609 HydrophobicContact CD1-CD1 4Å; L605-L609 HydrophobicContact CD1-CG 4.32Å; L605-L609 HydrophobicContact CG-CD1 3.96Å; L605-L609 WeakPolarHBondContact O-CB 3.27Å; L605-L609 WeakPolarHBondContact O-CD1 3.36Å; L605-L609 WeakPolarHBondContact O-CG 3.37Å; L605-L609 PolarHBondContact O-N 2.89Å; L606-L609 PolarHBondContact O-N 2.76Å; E607-L609 VanDerWaalsContact C-N 3.32Å; E607-L609 PolarHBondContact O-N 3.01Å; L609-K613 WeakPolarHBondContact O-CA 3.5Å; L609-K613 PolarHBondContact O-N 2.64Å; L609-W616 HydrophobicContact CD2-CH2 3.66Å; L609-W616 HydrophobicContact CD2-CZ2 4.29Å; L609-W616 HydrophobicContact CD2-CZ3 3.8Å; L609-V619 HydrophobicContact CD2-CG1 4.39Å; L609-V619 HydrophobicContact CD2-CG2 4.19Å; L609-V619 HydrophobicContact CG-CG1 4.21Å; L609-F635 HydrophobicContact CD1-CB 4.22Å; L609-F635 HydrophobicContact CD1-CD2 3.32Å; L609-F635 HydrophobicContact CD1-CE2 3.78Å; L609-F635 HydrophobicContact CD1-CG 3.82Å
610E92Very high91.2Very high163 Ų16365.5 Ų65.576%0.76232%0.316SS*.Hα-helixtrans-65.1-42.7174.4-174.1170-168.800111.4L606 E607L606-E610 PolarHBondContact O-N 3.15Å; E607-E610 PolarHBondContact O-N 3.14Å
611M90.8Very high91.2Very high93 Ų9366.9 Ų66.946%0.45832%0.322SS..Hα-helixtrans-75.2-42.2-179.9-68-164.6-6500114.3E607 H622E607-M611 HydrophobicContact CG-CE 4.19Å; E607-M611 WeakPolarHBondContact O-CG 3.31Å; E607-M611 PolarHBondContact O-N 3.27Å; M611-H622 WeakPolarHBondContact CE-CE1 3.24Å
612Y91.4Very high91.1Very high85 Ų8569 Ų6933%0.33333%0.332SS..Hα-helixtrans-116.4-12.2-167-51.2-53.3000114.8G608 D614 D615 K618 H622G608-Y612 WeakPolarHBondContact O-CA 3.37Å; G608-Y612 VanDerWaalsContact O-CB 3.31Å; G608-Y612 WeakPolarHBondContact O-CB 3.41Å; G608-Y612 VanDerWaalsContact O-CD2 3.31Å; G608-Y612 WeakPolarHBondContact O-CD2 3.23Å; G608-Y612 PolarHBondContact O-N 2.64Å; Y612-D614 PolarHBondContact O-N 3.3Å; Y612-D615 PolarHBondContact O-N 3.3Å; Y612-K618 HydrophobicContact CD1-CB 4.05Å; Y612-K618 HydrophobicContact CD1-CD 3.66Å; Y612-K618 HydrophobicContact CD2-CB 3.56Å; Y612-K618 HydrophobicContact CE1-CB 4.46Å; Y612-K618 HydrophobicContact CE1-CD 3.93Å; Y612-K618 HydrophobicContact CE2-CB 4.02Å; Y612-K618 HydrophobicContact CG-CB 3.58Å; Y612-K618 HydrophobicContact CG-CD 4.06Å; Y612-K618 HydrophobicContact CG-CG 4.48Å; Y612-H622 HydrophobicContact CE2-CB 4.09Å
613K89.6Confident91.2Very high144 Ų14467.9 Ų67.963%0.62633%0.325SS*.THydrogen-bonded Turntrans53.5-117.3178.5-53.3-173.5-179.1-169.90111.9L609 D615L609-K613 WeakPolarHBondContact O-CA 3.5Å; L609-K613 PolarHBondContact O-N 2.64Å; K613-D615 VanDerWaalsContact C-N 3.27Å; K613-D615 PolarHBondContact O-N 2.82Å
614D87.4Confident90.8Very high131 Ų13166.3 Ų66.370%0.70133%0.333SS*.THydrogen-bonded Turntrans-80.10.7-173.1-50.5-45.3000114.1Y612 W616Y612-D614 PolarHBondContact O-N 3.3Å; D614-W616 VanDerWaalsContact C-N 3.33Å; D614-W616 PolarHBondContact O-N 3.17Å; D614-W616 VanDerWaalsContact O-N 3.07Å
615D89.8Confident90.6Very high51 Ų5167.4 Ų67.427%0.27334%0.344SS..  trans-84.775.8177-167.3-6.6000111.9Y612 K613 N617 K618 V619Y612-D615 PolarHBondContact O-N 3.3Å; K613-D615 VanDerWaalsContact C-N 3.27Å; K613-D615 PolarHBondContact O-N 2.82Å; D615-N617 PolarHBondContact O-N 3.45Å; D615-N617 WeakPolarHBondContact OD1-CB 3.48Å; D615-N617 PolarHBondContact OD1-N 3.48Å; D615-N617 PolarHBondContact OD1-ND2 2.86Å; D615-K618 PolarHBondContact O-N 3.11Å; D615-K618 IonicContact OD2-NZ 3.76Å; D615-K618 PolarHBondContact OD2-NZ 3.23Å; D615-V619 PolarHBondContact O-N 2.74Å; D615-V619 VanDerWaalsContact O-N 3.14Å
616W90.8Very high90.3Very high54 Ų5468.1 Ų68.121%0.20535%0.347CS..Hα-helixtrans-54.4-23-177.7-63.4101000114.9L609 D614 V619 S620 C631 I632 F635L609-W616 HydrophobicContact CD2-CH2 3.66Å; L609-W616 HydrophobicContact CD2-CZ2 4.29Å; L609-W616 HydrophobicContact CD2-CZ3 3.8Å; D614-W616 VanDerWaalsContact C-N 3.33Å; D614-W616 PolarHBondContact O-N 3.17Å; D614-W616 VanDerWaalsContact O-N 3.07Å; W616-V619 HydrophobicContact CE3-CB 4.38Å; W616-V619 HydrophobicContact CE3-CG1 4.27Å; W616-V619 HydrophobicContact CZ3-CG1 4.42Å; W616-S620 WeakPolarHBondContact O-CB 3.44Å; W616-S620 PolarHBondContact O-N 3Å; W616-S620 PolarHBondContact O-OG 2.75Å; W616-C631 HydrophobicContact CE3-CB 4.23Å; W616-C631 HydrophobicContact CZ3-CB 4.3Å; W616-I632 HydrophobicContact CB-CD1 4.38Å; W616-I632 HydrophobicContact CD2-CD1 4.02Å; W616-I632 HydrophobicContact CD2-CG1 3.34Å; W616-I632 HydrophobicContact CE3-CB 4.45Å; W616-I632 HydrophobicContact CE3-CD1 4.43Å; W616-I632 HydrophobicContact CE3-CG1 3.43Å; W616-I632 VanDerWaalsContact CE3-CG1 3.43Å; W616-I632 HydrophobicContact CG-CD1 3.96Å; W616-I632 HydrophobicContact CG-CG1 3.85Å; W616-I632 HydrophobicContact CH2-CG1 4.07Å; W616-I632 HydrophobicContact CZ2-CG1 4.03Å; W616-I632 HydrophobicContact CZ3-CB 4.39Å; W616-I632 HydrophobicContact CZ3-CG1 3.79Å; W616-F635 HydrophobicContact CH2-CB 4.03Å; W616-F635 AromaticContact CH2-CD1 3.71Å; W616-F635 HydrophobicContact CH2-CD1 3.71Å; W616-F635 HydrophobicContact CH2-CE1 4.49Å; W616-F635 HydrophobicContact CH2-CG 4.05Å; W616-F635 HydrophobicContact CZ2-CD1 4.33Å; W616-F635 HydrophobicContact CZ3-CB 4.39Å
617N89.9Confident90.1Very high80 Ų8065 Ų6543%0.42833%0.331SS..Hα-helixtrans-60.4-58.2171.7-50.4-87.6000109.8D615 V619 S620 E621 Q628D615-N617 PolarHBondContact O-N 3.45Å; D615-N617 WeakPolarHBondContact OD1-CB 3.48Å; D615-N617 PolarHBondContact OD1-N 3.48Å; D615-N617 PolarHBondContact OD1-ND2 2.86Å; N617-V619 VanDerWaalsContact C-N 3.31Å; N617-V619 PolarHBondContact O-N 3.37Å; N617-S620 PolarHBondContact O-N 3.26Å; N617-S620 VanDerWaalsContact O-N 3.11Å; N617-S620 PolarHBondContact O-OG 3.26Å; N617-E621 WeakPolarHBondContact O-CG 3.23Å; N617-E621 PolarHBondContact O-N 3.47Å; N617-Q628 PolarHBondContact OD1-NE2 3.41Å
618K90.7Very high89.9Confident88 Ų8862.6 Ų62.638%0.38332%0.32SS..Hα-helixtrans-64.7-35-179.7-63.5-166.8-177.476.40112.6Y612 D615 E621 H622Y612-K618 HydrophobicContact CD1-CB 4.05Å; Y612-K618 HydrophobicContact CD1-CD 3.66Å; Y612-K618 HydrophobicContact CD2-CB 3.56Å; Y612-K618 HydrophobicContact CE1-CB 4.46Å; Y612-K618 HydrophobicContact CE1-CD 3.93Å; Y612-K618 HydrophobicContact CE2-CB 4.02Å; Y612-K618 HydrophobicContact CG-CB 3.58Å; Y612-K618 HydrophobicContact CG-CD 4.06Å; Y612-K618 HydrophobicContact CG-CG 4.48Å; D615-K618 PolarHBondContact O-N 3.11Å; D615-K618 IonicContact OD2-NZ 3.76Å; D615-K618 PolarHBondContact OD2-NZ 3.23Å; K618-E621 PolarHBondContact O-N 3.3Å; K618-H622 WeakPolarHBondContact O-CB 3.4Å; K618-H622 PolarHBondContact O-N 3.3Å
619V90.9Very high89.6Confident0 Ų066.8 Ų66.80%034%0.342CS..Hα-helixtrans-60.5-46173.11800000110.3L605 L609 D615 W616 N617 H622 V623 C631L605-V619 HydrophobicContact CD1-CG1 3.5Å; L609-V619 HydrophobicContact CD2-CG1 4.39Å; L609-V619 HydrophobicContact CD2-CG2 4.19Å; L609-V619 HydrophobicContact CG-CG1 4.21Å; D615-V619 PolarHBondContact O-N 2.74Å; D615-V619 VanDerWaalsContact O-N 3.14Å; W616-V619 HydrophobicContact CE3-CB 4.38Å; W616-V619 HydrophobicContact CE3-CG1 4.27Å; W616-V619 HydrophobicContact CZ3-CG1 4.42Å; N617-V619 VanDerWaalsContact C-N 3.31Å; N617-V619 PolarHBondContact O-N 3.37Å; V619-H622 PolarHBondContact O-N 3.2Å; V619-V623 WeakPolarHBondContact O-CG2 3.45Å; V619-V623 PolarHBondContact O-N 2.91Å; V619-C631 HydrophobicContact CG1-CB 4.43Å
620S91Very high89.4Confident5 Ų566.8 Ų66.84%0.03534%0.342CS..Hα-helixtrans-69.2-35.1176.971.70000113.6W616 N617 V623 G624 Q628W616-S620 WeakPolarHBondContact O-CB 3.44Å; W616-S620 PolarHBondContact O-N 3Å; W616-S620 PolarHBondContact O-OG 2.75Å; N617-S620 PolarHBondContact O-N 3.26Å; N617-S620 VanDerWaalsContact O-N 3.11Å; N617-S620 PolarHBondContact O-OG 3.26Å; S620-V623 PolarHBondContact O-N 3.17Å; S620-G624 PolarHBondContact O-N 2.9Å; S620-Q628 VanDerWaalsContact OG-CG 3.29Å; S620-Q628 WeakPolarHBondContact OG-CG 3.41Å
621E91.2Very high89.3Confident145 Ų14559 Ų5968%0.67831%0.306SS*.Hα-helixtrans-63.4-40.4173.4-72.1174.5164.100111.7N617 K618 G624N617-E621 WeakPolarHBondContact O-CG 3.23Å; N617-E621 PolarHBondContact O-N 3.47Å; K618-E621 PolarHBondContact O-N 3.3Å; E621-G624 WeakPolarHBondContact O-CA 3.29Å; E621-G624 PolarHBondContact O-N 3.42Å
622H90.6Very high89.3Confident53 Ų5356.9 Ų56.925%0.24530%0.295CS..Hα-helixtrans-72.1-35178.2-169.984.2000113L604 E607 M611 Y612 K618 V619 G624L604-H622 PolarHBondContact O-CD2 2.99Å; E607-H622 VanDerWaalsContact CD-NE2 3.34Å; E607-H622 IonicContact OE2-CD2 2.58Å; E607-H622 IonicContact OE2-CE1 3.91Å; E607-H622 IonicContact OE2-NE2 3.51Å; E607-H622 PolarHBondContact OE2-NE2 3.04Å; M611-H622 WeakPolarHBondContact CE-CE1 3.24Å; Y612-H622 HydrophobicContact CE2-CB 4.09Å; K618-H622 WeakPolarHBondContact O-CB 3.4Å; K618-H622 PolarHBondContact O-N 3.3Å; V619-H622 PolarHBondContact O-N 3.2Å; H622-G624 VanDerWaalsContact C-N 3.34Å
623V91.7Very high89.1Confident6 Ų656.7 Ų56.74%0.03630%0.3CS..Hα-helixtrans-71.6-30.3170.5175.50000111.4W597 L604 L605 V619 S620 S625 R626W597-V623 HydrophobicContact CH2-CG1 4.33Å; W597-V623 HydrophobicContact CZ3-CG1 4.28Å; L604-V623 HydrophobicContact CB-CG2 4.18Å; L605-V623 HydrophobicContact CB-CG2 3.96Å; L605-V623 HydrophobicContact CD1-CG2 4.39Å; V619-V623 WeakPolarHBondContact O-CG2 3.45Å; V619-V623 PolarHBondContact O-N 2.91Å; S620-V623 PolarHBondContact O-N 3.17Å; V623-S625 PolarHBondContact O-N 3.26Å; V623-S625 PolarHBondContact O-OG 3.25Å; V623-R626 HydrophobicContact CG1-CB 3.72Å; V623-R626 HydrophobicContact CG1-CG 3.6Å
624G85.8Confident89Confident66 Ų6651.5 Ų51.568%0.6828%0.277SS*.  trans64.2-12169.700000117S620 E621 H622S620-G624 PolarHBondContact O-N 2.9Å; E621-G624 WeakPolarHBondContact O-CA 3.29Å; E621-G624 PolarHBondContact O-N 3.42Å; H622-G624 VanDerWaalsContact C-N 3.34Å
625S87.1Confident89.1Confident63 Ų6348.5 Ų48.544%0.44126%0.259SS..SBendtrans-125.7-0.7-167.652.20000113V623V623-S625 PolarHBondContact O-N 3.26Å; V623-S625 PolarHBondContact O-OG 3.25Å
626R86.6Confident89.1Confident15 Ų1552.1 Ų52.16%0.05728%0.277CS..SBendtrans-139.4147.7-170.9-61.8-66178161.94.3110.9R595 E596 W597 E601 V623 E630R595-R626 VanDerWaalsContact O-CZ 3.3Å; R595-R626 PolarHBondContact O-NH1 2.88Å; R595-R626 PolarHBondContact O-NH2 3.04Å; E596-R626 PolarHBondContact O-NH2 3.15Å; W597-R626 HydrophobicContact CH2-CB 4.07Å; W597-R626 HydrophobicContact CH2-CG 3.67Å; W597-R626 HydrophobicContact CZ2-CB 4.16Å; W597-R626 HydrophobicContact CZ2-CG 3.76Å; W597-R626 HydrophobicContact CZ3-CG 4.1Å; E601-R626 IonicContact OE1-NE 3.79Å; E601-R626 IonicContact OE1-NH2 3.88Å; E601-R626 IonicContact OE2-CZ 3.71Å; E601-R626 IonicContact OE2-NE 2.78Å; E601-R626 PolarHBondContact OE2-NE 2.94Å; E601-R626 IonicContact OE2-NH2 3.73Å; E601-R626 PolarHBondContact OE2-NH2 3.42Å; V623-R626 HydrophobicContact CG1-CB 3.72Å; V623-R626 HydrophobicContact CG1-CG 3.6Å; R626-E630 HydrophobicContact CB-CB 4.23Å; R626-E630 WeakPolarHBondContact CD-OE1 3.34Å; R626-E630 IonicContact CZ-OE1 2.65Å; R626-E630 IonicContact NE-OE1 2.94Å; R626-E630 IonicContact NH1-OE1 2.84Å; R626-E630 PolarHBondContact NH1-OE1 3.38Å
627T89.1Confident88.9Confident19 Ų1958.1 Ų58.112%0.11730%0.3CS..  trans-74.8163.1172.856.90000111.9D629 E630 C631T627-D629 VanDerWaalsContact C-N 3.32Å; T627-D629 PolarHBondContact O-N 3.4Å; T627-E630 PolarHBondContact N-OE2 3.44Å; T627-E630 PolarHBondContact O-N 2.86Å; T627-E630 VanDerWaalsContact OG1-CG 3.31Å; T627-E630 WeakPolarHBondContact OG1-CG 3.43Å; T627-E630 PolarHBondContact OG1-N 3.47Å; T627-E630 PolarHBondContact OG1-OE2 3.12Å; T627-C631 PolarHBondContact O-N 3.43Å; T627-C631 PolarHBondContact O-SG 3.08Å
628Q88.8Confident88.7Confident31 Ų3156 Ų5615%0.14529%0.288CS..Hα-helixtrans-57.8-45.4176.8-61.4-178.718.100111.4H529 N617 S620 E630 C631 I632H529-Q628 PolarHBondContact CD2-NE2 3Å; N617-Q628 PolarHBondContact OD1-NE2 3.41Å; S620-Q628 VanDerWaalsContact OG-CG 3.29Å; S620-Q628 WeakPolarHBondContact OG-CG 3.41Å; Q628-E630 PolarHBondContact O-N 3.33Å; Q628-C631 WeakPolarHBondContact O-CB 3.24Å; Q628-C631 PolarHBondContact O-N 3.21Å; Q628-C631 VanDerWaalsContact O-N 3.15Å; Q628-I632 WeakPolarHBondContact O-CD1 3.35Å; Q628-I632 WeakPolarHBondContact O-CG1 3.49Å; Q628-I632 PolarHBondContact O-N 3.16Å
629D84.8Confident88.3Confident88 Ų8855.6 Ų55.647%0.47129%0.294SS..Hα-helixtrans-63.3-39.5178.4-56.5-59.6000112.4T627 L633T627-D629 VanDerWaalsContact C-N 3.32Å; T627-D629 PolarHBondContact O-N 3.4Å; D629-L633 WeakPolarHBondContact O-CB 3.18Å; D629-L633 WeakPolarHBondContact O-CG 3.23Å; D629-L633 PolarHBondContact O-N 2.79Å
630E87.4Confident87.9Confident23 Ų2360.6 Ų60.611%0.10732%0.32CS..Hα-helixtrans-61.3-44.3171.8-78.8172.3103.300111.9M594 W597 R626 T627 Q628 L633 H634M594-E630 HydrophobicContact CE-CG 3.68Å; M594-E630 WeakPolarHBondContact CE-OE2 3.37Å; M594-E630 HydrophobicContact SD-CG 4.01Å; W597-E630 HydrophobicContact CZ2-CB 4.07Å; W597-E630 WeakPolarHBondContact CZ2-O 3.48Å; R626-E630 HydrophobicContact CB-CB 4.23Å; R626-E630 WeakPolarHBondContact CD-OE1 3.34Å; R626-E630 IonicContact CZ-OE1 2.65Å; R626-E630 IonicContact NE-OE1 2.94Å; R626-E630 IonicContact NH1-OE1 2.84Å; R626-E630 PolarHBondContact NH1-OE1 3.38Å; T627-E630 PolarHBondContact N-OE2 3.44Å; T627-E630 PolarHBondContact O-N 2.86Å; T627-E630 VanDerWaalsContact OG1-CG 3.31Å; T627-E630 WeakPolarHBondContact OG1-CG 3.43Å; T627-E630 PolarHBondContact OG1-N 3.47Å; T627-E630 PolarHBondContact OG1-OE2 3.12Å; Q628-E630 PolarHBondContact O-N 3.33Å; E630-L633 PolarHBondContact O-N 2.89Å; E630-H634 VanDerWaalsContact O-CB 3.32Å; E630-H634 WeakPolarHBondContact O-CB 3.43Å; E630-H634 PolarHBondContact O-N 3.31Å
631C90.4Very high87.3Confident0 Ų066.7 Ų66.70%035%0.348CS..Hα-helixtrans-62.5-44.4179.5-64.70000111.5L605 W616 V619 T627 Q628 F635L605-C631 HydrophobicContact CD1-CB 3.72Å; W616-C631 HydrophobicContact CE3-CB 4.23Å; W616-C631 HydrophobicContact CZ3-CB 4.3Å; V619-C631 HydrophobicContact CG1-CB 4.43Å; T627-C631 PolarHBondContact O-N 3.43Å; T627-C631 PolarHBondContact O-SG 3.08Å; Q628-C631 WeakPolarHBondContact O-CB 3.24Å; Q628-C631 PolarHBondContact O-N 3.21Å; Q628-C631 VanDerWaalsContact O-N 3.15Å; C631-F635 WeakPolarHBondContact O-CB 3.37Å; C631-F635 PolarHBondContact O-N 3.48Å
632I90.5Very high86.7Confident47 Ų4763.7 Ų63.724%0.24134%0.337CS..Hα-helixtrans-61.7-50.4174.8-66.8158.8000110.4W616 Q628 H634 F635 L636W616-I632 HydrophobicContact CB-CD1 4.38Å; W616-I632 HydrophobicContact CD2-CD1 4.02Å; W616-I632 HydrophobicContact CD2-CG1 3.34Å; W616-I632 HydrophobicContact CE3-CB 4.45Å; W616-I632 HydrophobicContact CE3-CD1 4.43Å; W616-I632 HydrophobicContact CE3-CG1 3.43Å; W616-I632 VanDerWaalsContact CE3-CG1 3.43Å; W616-I632 HydrophobicContact CG-CD1 3.96Å; W616-I632 HydrophobicContact CG-CG1 3.85Å; W616-I632 HydrophobicContact CH2-CG1 4.07Å; W616-I632 HydrophobicContact CZ2-CG1 4.03Å; W616-I632 HydrophobicContact CZ3-CB 4.39Å; W616-I632 HydrophobicContact CZ3-CG1 3.79Å; Q628-I632 WeakPolarHBondContact O-CD1 3.35Å; Q628-I632 WeakPolarHBondContact O-CG1 3.49Å; Q628-I632 PolarHBondContact O-N 3.16Å; I632-H634 VanDerWaalsContact C-N 3.31Å; I632-H634 PolarHBondContact O-N 2.96Å; I632-F635 PolarHBondContact O-N 3.19Å; I632-L636 HydrophobicContact CG2-CD1 3.77Å; I632-L636 HydrophobicContact CG2-CG 4.39Å; I632-L636 WeakPolarHBondContact O-CB 3.25Å; I632-L636 WeakPolarHBondContact O-CG 3.45Å; I632-L636 PolarHBondContact O-N 2.87Å
633L86.8Confident86.1Confident81 Ų8164.7 Ų64.742%0.42435%0.348SS..Hα-helixtrans-69.2-25.2-176.8-73.6172.2000113.6D629 E630 R637D629-L633 WeakPolarHBondContact O-CB 3.18Å; D629-L633 WeakPolarHBondContact O-CG 3.23Å; D629-L633 PolarHBondContact O-N 2.79Å; E630-L633 PolarHBondContact O-N 2.89Å; L633-R637 WeakPolarHBondContact O-CD 3.25Å; L633-R637 WeakPolarHBondContact O-CG 3.19Å
634H88Confident85.3Confident35 Ų3573.5 Ų73.516%0.16238%0.382CS..Hα-helixtrans-78.9-47.5172.3-166.650.9000110.6W597 T602 L605 E630 I632 L636 R637 L638W597-H634 AromaticContact CD1-CG 4Å; W597-H634 AromaticContact CD1-ND1 3.83Å; W597-H634 HydrophobicContact CD2-CB 4.12Å; W597-H634 AromaticContact CD2-CD2 3.27Å; W597-H634 AromaticContact CD2-CG 3.58Å; W597-H634 AromaticContact CD2-NE2 3.57Å; W597-H634 AromaticContact CE2-CD2 3.64Å; W597-H634 AromaticContact CE2-CG 3.54Å; W597-H634 AromaticContact CE3-CD2 3.25Å; W597-H634 AromaticContact CE3-NE2 3.59Å; W597-H634 AromaticContact CG-CD2 3.8Å; W597-H634 AromaticContact CG-CE1 3.68Å; W597-H634 AromaticContact CG-CG 3.89Å; W597-H634 AromaticContact CG-ND1 3.81Å; W597-H634 AromaticContact CG-NE2 3.66Å; W597-H634 HydrophobicContact CH2-CB 4.11Å; W597-H634 AromaticContact CH2-CD2 3.95Å; W597-H634 HydrophobicContact CZ2-CB 3.53Å; W597-H634 AromaticContact CZ2-CD2 3.97Å; W597-H634 AromaticContact CZ2-CG 3.94Å; W597-H634 AromaticContact CZ3-CD2 3.61Å; W597-H634 AromaticContact NE1-CG 3.81Å; T602-H634 PolarHBondContact OG1-NE2 3.08Å; L605-H634 HydrophobicContact CD2-CB 4.04Å; E630-H634 VanDerWaalsContact O-CB 3.32Å; E630-H634 WeakPolarHBondContact O-CB 3.43Å; E630-H634 PolarHBondContact O-N 3.31Å; I632-H634 VanDerWaalsContact C-N 3.31Å; I632-H634 PolarHBondContact O-N 2.96Å; H634-L636 PolarHBondContact O-N 2.97Å; H634-R637 CarbonylContact O-C 3.13Å; H634-R637 WeakPolarHBondContact O-CA 3.35Å; H634-R637 PolarHBondContact O-N 2.85Å; H634-L638 WeakPolarHBondContact O-CG 3.48Å; H634-L638 PolarHBondContact O-N 3.03Å; H634-L638 VanDerWaalsContact O-N 3.15Å
635F90.2Very high84.6Confident69 Ų6974 Ų7430%0.30337%0.369SS..Hα-helixtrans-55.1-48.1176.6175.9-112.9000112.6L605 L609 W616 C631 I632 R637 L638 I640L605-F635 HydrophobicContact CD2-CB 4.37Å; L609-F635 HydrophobicContact CD1-CB 4.22Å; L609-F635 HydrophobicContact CD1-CD2 3.32Å; L609-F635 HydrophobicContact CD1-CE2 3.78Å; L609-F635 HydrophobicContact CD1-CG 3.82Å; W616-F635 HydrophobicContact CH2-CB 4.03Å; W616-F635 AromaticContact CH2-CD1 3.71Å; W616-F635 HydrophobicContact CH2-CD1 3.71Å; W616-F635 HydrophobicContact CH2-CE1 4.49Å; W616-F635 HydrophobicContact CH2-CG 4.05Å; W616-F635 HydrophobicContact CZ2-CD1 4.33Å; W616-F635 HydrophobicContact CZ3-CB 4.39Å; C631-F635 WeakPolarHBondContact O-CB 3.37Å; C631-F635 PolarHBondContact O-N 3.48Å; I632-F635 PolarHBondContact O-N 3.19Å; F635-R637 PolarHBondContact O-N 2.97Å; F635-L638 HydrophobicContact CD2-CD1 4.25Å; F635-L638 PolarHBondContact O-N 3.48Å; F635-L638 VanDerWaalsContact O-N 3.14Å; F635-I640 HydrophobicContact CE2-CD1 4.24Å
636L88.8Confident83.6Confident127 Ų12776.2 Ų76.267%0.66537%0.372SS*.THydrogen-bonded Turntrans-67-3.9177.2-67.8175.6000114.5I632 H634I632-L636 HydrophobicContact CG2-CD1 3.77Å; I632-L636 HydrophobicContact CG2-CG 4.39Å; I632-L636 WeakPolarHBondContact O-CB 3.25Å; I632-L636 WeakPolarHBondContact O-CG 3.45Å; I632-L636 PolarHBondContact O-N 2.87Å; H634-L636 PolarHBondContact O-N 2.97Å
637R86Confident82.3Confident179 Ų17982 Ų8268%0.67540%0.404SS*.THydrogen-bonded Turntrans-1183.8176.8-67.1176.7-172.8145.4-0.6113L633 H634 F635 P639L633-R637 WeakPolarHBondContact O-CD 3.25Å; L633-R637 WeakPolarHBondContact O-CG 3.19Å; H634-R637 CarbonylContact O-C 3.13Å; H634-R637 WeakPolarHBondContact O-CA 3.35Å; H634-R637 PolarHBondContact O-N 2.85Å; F635-R637 PolarHBondContact O-N 2.97Å; R637-P639 WeakPolarHBondContact O-CD 3.37Å
638L86.6Confident80.6Confident37 Ų3782.7 Ų82.719%0.19441%0.409CS..  trans-71.3123.1173.7-65.1-177.8000108.9T602 L606 H634 F635 I640T602-L638 HydrophobicContact CG2-CD2 4.05Å; L606-L638 HydrophobicContact CD2-CD1 3.82Å; L606-L638 HydrophobicContact CG-CD1 4.42Å; H634-L638 WeakPolarHBondContact O-CG 3.48Å; H634-L638 PolarHBondContact O-N 3.03Å; H634-L638 VanDerWaalsContact O-N 3.15Å; F635-L638 HydrophobicContact CD2-CD1 4.25Å; F635-L638 PolarHBondContact O-N 3.48Å; F635-L638 VanDerWaalsContact O-N 3.14Å; L638-I640 HydrophobicContact CB-CD1 4.08Å; L638-I640 HydrophobicContact CB-CG1 3.83Å; L638-I640 PolarHBondContact O-N 2.97Å
639P81.9Confident78.9Confident78 Ų7884.5 Ų84.551%0.50643%0.426SS..  trans-76.571.3178.732-35.3000110.1R637 D642 P643R637-P639 WeakPolarHBondContact O-CD 3.37Å; P639-D642 WeakPolarHBondContact CA-OD2 3.12Å; P639-D642 HydrophobicContact CB-CB 3.98Å; P639-D642 VanDerWaalsContact CB-OD2 3.31Å; P639-D642 WeakPolarHBondContact CB-OD2 3.38Å; P639-P643 VanDerWaalsContact O-CD 3.22Å; P639-P643 WeakPolarHBondContact O-CD 3.42Å
640I83.5Confident77.5Confident106 Ų10685.1 Ų85.154%0.54444%0.437SS..SBendtrans-77.7-44.9-176.5-61.1170.1000110.4F635 L638 Y644F635-I640 HydrophobicContact CE2-CD1 4.24Å; L638-I640 HydrophobicContact CB-CD1 4.08Å; L638-I640 HydrophobicContact CB-CG1 3.83Å; L638-I640 PolarHBondContact O-N 2.97Å; I640-Y644 WeakPolarHBondContact O-CE2 3.21Å
641E78.1Confident76Confident133 Ų13388.7 Ų88.762%0.62146%0.461SS*.SBendtrans-98.7-24.2179.359.3-178.6-179.500113.8P643 Y644 L645E641-P643 VanDerWaalsContact C-CD 3.43Å; E641-P643 VanDerWaalsContact C-N 3.35Å; E641-Y644 WeakPolarHBondContact O-CA 3.15Å; E641-Y644 WeakPolarHBondContact O-CB 3.41Å; E641-Y644 PolarHBondContact O-N 2.76Å; E641-L645 HydrophobicContact CB-CD1 4.18Å; E641-L645 HydrophobicContact CG-CD1 3.85Å; E641-L645 WeakPolarHBondContact O-CG 3.48Å; E641-L645 PolarHBondContact O-N 3.31Å; E641-L645 VanDerWaalsContact O-N 3.11Å
642D77.1Confident74.9Confident81 Ų8191.9 Ų91.943%0.43348%0.477SS..Hα-helixtrans-50.7-41.9-178.8-59.4-35.1000114.4P639 Y644 L645 E646P639-D642 WeakPolarHBondContact CA-OD2 3.12Å; P639-D642 HydrophobicContact CB-CB 3.98Å; P639-D642 VanDerWaalsContact CB-OD2 3.31Å; P639-D642 WeakPolarHBondContact CB-OD2 3.38Å; D642-Y644 PolarHBondContact O-N 2.88Å; D642-Y644 VanDerWaalsContact O-N 3.15Å; D642-L645 CarbonylContact O-C 3.41Å; D642-L645 PolarHBondContact O-N 3.29Å; D642-E646 PolarHBondContact O-N 2.73Å
643P78.4Confident74Confident75 Ų7590.8 Ų90.849%0.48748%0.478SS..Hα-helixtrans-62.1-22.6177.1-2435.9000114.4P639 E641P639-P643 VanDerWaalsContact O-CD 3.22Å; P639-P643 WeakPolarHBondContact O-CD 3.42Å; E641-P643 VanDerWaalsContact C-CD 3.43Å; E641-P643 VanDerWaalsContact C-N 3.35Å
644Y75.7Confident73.1Confident191 Ų19188.4 Ų88.475%0.74947%0.467SS*.Hα-helixtrans-93.4-19.4176.1-53.1-88.3000112I640 E641 D642I640-Y644 WeakPolarHBondContact O-CE2 3.21Å; E641-Y644 WeakPolarHBondContact O-CA 3.15Å; E641-Y644 WeakPolarHBondContact O-CB 3.41Å; E641-Y644 PolarHBondContact O-N 2.76Å; D642-Y644 PolarHBondContact O-N 2.88Å; D642-Y644 VanDerWaalsContact O-N 3.15Å
645L71.6Confident72.3Confident77 Ų7791.6 Ų91.640%0.40349%0.485SS..Hα-helixtrans-93.6-28.2178.3-62177.7000112.8E641 D642 D647 S648 S649E641-L645 HydrophobicContact CB-CD1 4.18Å; E641-L645 HydrophobicContact CG-CD1 3.85Å; E641-L645 WeakPolarHBondContact O-CG 3.48Å; E641-L645 PolarHBondContact O-N 3.31Å; E641-L645 VanDerWaalsContact O-N 3.11Å; D642-L645 CarbonylContact O-C 3.41Å; D642-L645 PolarHBondContact O-N 3.29Å; L645-D647 PolarHBondContact O-N 3.47Å; L645-S648 CarbonylContact O-C 3.54Å; L645-S648 PolarHBondContact O-N 3.07Å; L645-S648 PolarHBondContact O-OG 2.82Å; L645-S648 VanDerWaalsContact O-OG 3.11Å; L645-S649 WeakPolarHBondContact O-CB 3.31Å; L645-S649 PolarHBondContact O-N 3.34Å
646E64.5Low71.4Confident109 Ų10991.5 Ų91.551%0.50950%0.497SS..THydrogen-bonded Turntrans-60-44.8179.8-89.8-161.2-128.100112.8K580 D642 S648 S649K580-E646 IonicContact NZ-OE2 3.74Å; K580-E646 PolarHBondContact NZ-OE2 3.12Å; D642-E646 PolarHBondContact O-N 2.73Å; E646-S648 PolarHBondContact O-N 2.88Å; E646-S649 WeakPolarHBondContact O-CB 3.46Å; E646-S649 PolarHBondContact O-N 3.47Å
647D59.7Low70.6Confident136 Ų13692.5 Ų92.573%0.72749%0.492SS*.THydrogen-bonded Turntrans-64.3-28.1178.5-78.6-15.5000112.3L645L645-D647 PolarHBondContact O-N 3.47Å
648S53.7Low70Confident33 Ų3389.4 Ų89.423%0.23149%0.486CS..THydrogen-bonded Turntrans-93.9-18.2177.963.40000113.9L645 E646 S650 T651 L652L645-S648 CarbonylContact O-C 3.54Å; L645-S648 PolarHBondContact O-N 3.07Å; L645-S648 PolarHBondContact O-OG 2.82Å; L645-S648 VanDerWaalsContact O-OG 3.11Å; E646-S648 PolarHBondContact O-N 2.88Å; S648-S650 PolarHBondContact O-N 3.17Å; S648-T651 CarbonylContact O-C 3.53Å; S648-T651 PolarHBondContact O-N 2.96Å; S648-T651 PolarHBondContact O-OG1 3.32Å; S648-L652 WeakPolarHBondContact O-CB 3.22Å; S648-L652 VanDerWaalsContact O-CG 3.24Å; S648-L652 WeakPolarHBondContact O-CG 3.5Å; S648-L652 PolarHBondContact O-N 3.01Å
649S52.4Low69.1Low70 Ų7093 Ų9349%0.4951%0.511SS..THydrogen-bonded Turntrans-57.9-22.3179.3-175.70000114.5L645 E646L645-S649 WeakPolarHBondContact O-CB 3.31Å; L645-S649 PolarHBondContact O-N 3.34Å; E646-S649 WeakPolarHBondContact O-CB 3.46Å; E646-S649 PolarHBondContact O-N 3.47Å
650S55.7Low68.4Low101 Ų10190.5 Ų90.571%0.70650%0.495SS*.THydrogen-bonded Turntrans-89.4-22.517466.20000114.4S648S648-S650 PolarHBondContact O-N 3.17Å
651T57.3Low67.5Low98 Ų9890.2 Ų90.260%0.60150%0.499SS*.THydrogen-bonded Turntrans-116.7-11-169.544.70000114.3S648 G653S648-T651 CarbonylContact O-C 3.53Å; S648-T651 PolarHBondContact O-N 2.96Å; S648-T651 PolarHBondContact O-OG1 3.32Å; T651-G653 PolarHBondContact O-N 2.88Å
652L65.3Low66.9Low66 Ų6687.9 Ų87.935%0.34649%0.488SS..  trans-59.6-25.6178.7-85163000113.8S648 L655 A656S648-L652 WeakPolarHBondContact O-CB 3.22Å; S648-L652 VanDerWaalsContact O-CG 3.24Å; S648-L652 WeakPolarHBondContact O-CG 3.5Å; S648-L652 PolarHBondContact O-N 3.01Å; L652-L655 HydrophobicContact CD2-CB 4.1Å; L652-L655 WeakPolarHBondContact O-CA 3.43Å; L652-L655 VanDerWaalsContact O-CB 3.24Å; L652-L655 WeakPolarHBondContact O-CB 3.47Å; L652-L655 PolarHBondContact O-N 2.96Å; L652-A656 HydrophobicContact CB-CB 4.44Å
653G72.4Confident66.1Low25 Ų2588.3 Ų88.326%0.25850%0.497SS..G310 helixtrans50.6-125.1169.900000113.1T651 L655 A656T651-G653 PolarHBondContact O-N 2.88Å; G653-L655 PolarHBondContact O-N 3.07Å; G653-A656 WeakPolarHBondContact O-CB 3.43Å; G653-A656 PolarHBondContact O-N 3.4Å
654P68.2Low65.1Low31 Ų3193.1 Ų93.120%0.20151%0.513CS..G310 helixtrans-60.4-20.4176.7-24.334.8000115.5A656 A674 S678P654-A656 VanDerWaalsContact C-N 3.29Å; P654-A656 PolarHBondContact O-N 3.4Å; P654-A674 HydrophobicContact CB-CB 4.48Å; P654-A674 VanDerWaalsContact CG-C 3.5Å; P654-A674 HydrophobicContact CG-CB 3.85Å; P654-A674 VanDerWaalsContact CG-O 3.31Å; P654-A674 WeakPolarHBondContact CG-O 3.37Å; P654-S678 WeakPolarHBondContact CD-OG 3.48Å
655L70.5Confident64.5Low102 Ų10289.2 Ų89.253%0.53452%0.52SS..G310 helixtrans-76.3-15.2-180-57.2175.7000113.1L652 G653 Y657 Q658 V660L652-L655 HydrophobicContact CD2-CB 4.1Å; L652-L655 WeakPolarHBondContact O-CA 3.43Å; L652-L655 VanDerWaalsContact O-CB 3.24Å; L652-L655 WeakPolarHBondContact O-CB 3.47Å; L652-L655 PolarHBondContact O-N 2.96Å; G653-L655 PolarHBondContact O-N 3.07Å; L655-Y657 PolarHBondContact O-N 3.27Å; L655-Q658 PolarHBondContact O-NE2 3.11Å; L655-V660 HydrophobicContact CD2-CG2 4.15Å
656A71.4Confident64Low66 Ų6689 Ų8955%0.54554%0.537SS..G310 helixtrans-65.3-16.117400000113.2L652 G653 P654L652-A656 HydrophobicContact CB-CB 4.44Å; G653-A656 WeakPolarHBondContact O-CB 3.43Å; G653-A656 PolarHBondContact O-N 3.4Å; P654-A656 VanDerWaalsContact C-N 3.29Å; P654-A656 PolarHBondContact O-N 3.4Å
657Y72.4Confident64.4Low148 Ų14887.3 Ų87.358%0.5853%0.531SS*.SBendtrans-111.279.8-178.9-57.6-79.5000110.6L655 P659 V660L655-Y657 PolarHBondContact O-N 3.27Å; Y657-P659 CarbonylContact O-C 3.57Å; Y657-P659 VanDerWaalsContact O-C 3.25Å; Y657-V660 WeakPolarHBondContact O-CA 3.28Å; Y657-V660 PolarHBondContact O-N 3.04Å
658Q73.7Confident65.2Low115 Ų11585.4 Ų85.454%0.53753%0.526SS..SBendtrans-87.2136.6174.2-62.7-57-3000111.7L655L655-Q658 PolarHBondContact O-NE2 3.11Å
659P68Low66.4Low111 Ų11188.9 Ų88.972%0.72155%0.546SS*.SBendcis-75.3134.8-4.631-34.5000112.5Y657 P661Y657-P659 CarbonylContact O-C 3.57Å; Y657-P659 VanDerWaalsContact O-C 3.25Å; P659-P661 VanDerWaalsContact O-CD 3.32Å; P659-P661 WeakPolarHBondContact O-CD 3.3Å
660V65.8Low67.6Low27 Ų2789.2 Ų89.216%0.16454%0.54CS..PPolyproline II helixtrans-58.3117.5-175-174.30000111.6L655 Y657 F662 S663L655-V660 HydrophobicContact CD2-CG2 4.15Å; Y657-V660 WeakPolarHBondContact O-CA 3.28Å; Y657-V660 PolarHBondContact O-N 3.04Å; V660-F662 PolarHBondContact O-N 3.23Å; V660-S663 WeakPolarHBondContact O-CB 3.45Å; V660-S663 PolarHBondContact O-N 2.92Å; V660-S663 VanDerWaalsContact O-N 3.14Å; V660-S663 PolarHBondContact O-OG 3.36Å
661P64.8Low68.6Low99 Ų9986.8 Ų86.864%0.64352%0.523SS*.THydrogen-bonded Turntrans-60.9-18.3-171.8-28.636.2000116.4P659P659-P661 VanDerWaalsContact O-CD 3.32Å; P659-P661 WeakPolarHBondContact O-CD 3.3Å
662F67.2Low69.6Low85 Ų8585.9 Ų85.937%0.37352%0.518SS..THydrogen-bonded Turntrans-107.56.1-175.5-48-65.7000113.6V660 M670V660-F662 PolarHBondContact O-N 3.23Å; F662-M670 HydrophobicContact CD1-CB 4.12Å; F662-M670 HydrophobicContact CE1-CB 4.19Å; F662-M670 HydrophobicContact CZ-CE 4.49Å
663S59.9Low70.3Confident89 Ų8986.1 Ų86.162%0.62252%0.522SS*.  trans-72.4-32.2-173.455.60000114.6V660 A665V660-S663 WeakPolarHBondContact O-CB 3.45Å; V660-S663 PolarHBondContact O-N 2.92Å; V660-S663 VanDerWaalsContact O-N 3.14Å; V660-S663 PolarHBondContact O-OG 3.36Å; S663-A665 PolarHBondContact O-N 3.31Å
664Q57.9Low70.5Confident177 Ų17786.1 Ų86.183%0.82752%0.519SS*.SBendtrans-92.5100.6177-72.7-169.1-20.900111.3G666Q664-G666 PolarHBondContact O-N 3.33Å
665A62.2Low70.9Confident109 Ų10990.9 Ų90.990%0.90154%0.537SS*.SBendtrans12.396.4162.900000117S663S663-A665 PolarHBondContact O-N 3.31Å
666G60.9Low71.4Confident73 Ų7390.7 Ų90.775%0.75354%0.536SS*.SBendtrans-176.7-25.5171.100000115.7Q664Q664-G666 PolarHBondContact O-N 3.33Å
667N72Confident71.8Confident73 Ų7390.7 Ų90.739%0.3954%0.536SS..  trans-14379.8-175.5-159.8-27.7000113.6V669 M670 S671N667-V669 PolarHBondContact O-N 2.85Å; N667-M670 HydrophobicContact CB-CB 4.18Å; N667-M670 VanDerWaalsContact CG-CB 3.5Å; N667-M670 VanDerWaalsContact CG-CG 3.49Å; N667-M670 WeakPolarHBondContact ND2-CG 3.27Å; N667-M670 PolarHBondContact O-N 3.04Å; N667-M670 WeakPolarHBondContact OD1-CB 3.25Å; N667-M670 WeakPolarHBondContact OD1-CG 3.33Å; N667-M670 PolarHBondContact OD1-N 3.27Å; N667-S671 PolarHBondContact O-N 2.79Å; N667-S671 VanDerWaalsContact O-N 3.13Å; N667-S671 PolarHBondContact O-OG 3.02Å
668P77.8Confident72Confident96 Ų9685.9 Ų85.962%0.62352%0.524SS*.Hα-helixtrans-67.2-22.4-179.528.1-35.3000113.3S671 T672P668-S671 WeakPolarHBondContact CA-OG 3.21Å; P668-S671 PolarHBondContact O-OG 3.15Å; P668-T672 WeakPolarHBondContact O-CB 3.41Å; P668-T672 PolarHBondContact O-N 3.11Å; P668-T672 PolarHBondContact O-OG1 2.85Å
669V78.8Confident72.4Confident106 Ų10685.2 Ų85.264%0.64253%0.528SS*.Hα-helixtrans-72.6-47.6174.6-177.20000110N667 T672 V673N667-V669 PolarHBondContact O-N 2.85Å; V669-T672 PolarHBondContact O-N 2.96Å; V669-V673 WeakPolarHBondContact O-CB 3.48Å; V669-V673 PolarHBondContact O-N 3.34Å
670M76.5Confident73.1Confident77 Ų7783.3 Ų83.338%0.37951%0.514SS..Hα-helixtrans-69.6-35.6-179.3-72.9-59.2-56.200113.5F662 N667 T672 V673 A674F662-M670 HydrophobicContact CD1-CB 4.12Å; F662-M670 HydrophobicContact CE1-CB 4.19Å; F662-M670 HydrophobicContact CZ-CE 4.49Å; N667-M670 HydrophobicContact CB-CB 4.18Å; N667-M670 VanDerWaalsContact CG-CB 3.5Å; N667-M670 VanDerWaalsContact CG-CG 3.49Å; N667-M670 WeakPolarHBondContact ND2-CG 3.27Å; N667-M670 PolarHBondContact O-N 3.04Å; N667-M670 WeakPolarHBondContact OD1-CB 3.25Å; N667-M670 WeakPolarHBondContact OD1-CG 3.33Å; N667-M670 PolarHBondContact OD1-N 3.27Å; M670-T672 VanDerWaalsContact C-N 3.32Å; M670-T672 PolarHBondContact O-N 3.09Å; M670-V673 HydrophobicContact CE-CG1 4.04Å; M670-V673 HydrophobicContact SD-CG1 3.84Å; M670-A674 WeakPolarHBondContact O-CB 2.98Å; M670-A674 PolarHBondContact O-N 3.43Å
671S76.7Confident73.9Confident50 Ų5086 Ų8635%0.3553%0.527SS..Hα-helixtrans-62.8-41173.458.90000111.7N667 P668 F675N667-S671 PolarHBondContact O-N 2.79Å; N667-S671 VanDerWaalsContact O-N 3.13Å; N667-S671 PolarHBondContact O-OG 3.02Å; P668-S671 WeakPolarHBondContact CA-OG 3.21Å; P668-S671 PolarHBondContact O-OG 3.15Å; S671-F675 PolarHBondContact O-N 2.97Å
672T78.9Confident74.8Confident78 Ų7886.1 Ų86.148%0.47953%0.528SS..Hα-helixtrans-73.6-43.8-179.4-51.20000111.8P668 V669 M670 A674 F675 L676P668-T672 WeakPolarHBondContact O-CB 3.41Å; P668-T672 PolarHBondContact O-N 3.11Å; P668-T672 PolarHBondContact O-OG1 2.85Å; V669-T672 PolarHBondContact O-N 2.96Å; M670-T672 VanDerWaalsContact C-N 3.32Å; M670-T672 PolarHBondContact O-N 3.09Å; T672-A674 PolarHBondContact O-N 2.89Å; T672-F675 PolarHBondContact O-N 3.44Å; T672-L676 HydrophobicContact CG2-CD1 4.01Å; T672-L676 HydrophobicContact CG2-CG 4.44Å; T672-L676 WeakPolarHBondContact O-CG 3.4Å; T672-L676 PolarHBondContact O-N 2.92Å
673V79.7Confident75.8Confident71 Ų7191.9 Ų91.943%0.4355%0.547SS..Hα-helixtrans-68.7-34179.486.90000112V669 M670 F675 L676 A677V669-V673 WeakPolarHBondContact O-CB 3.48Å; V669-V673 PolarHBondContact O-N 3.34Å; M670-V673 HydrophobicContact CE-CG1 4.04Å; M670-V673 HydrophobicContact SD-CG1 3.84Å; V673-F675 VanDerWaalsContact C-N 3.34Å; V673-L676 PolarHBondContact O-N 3.47Å; V673-A677 WeakPolarHBondContact O-CB 3.5Å; V673-A677 PolarHBondContact O-N 3.26Å
674A76.8Confident77.2Confident25 Ų2592.2 Ų92.221%0.20755%0.545CS..Hα-helixtrans-65.8-37.417500000111.8P654 M670 T672 S678P654-A674 HydrophobicContact CB-CB 4.48Å; P654-A674 VanDerWaalsContact CG-C 3.5Å; P654-A674 HydrophobicContact CG-CB 3.85Å; P654-A674 VanDerWaalsContact CG-O 3.31Å; P654-A674 WeakPolarHBondContact CG-O 3.37Å; M670-A674 WeakPolarHBondContact O-CB 2.98Å; M670-A674 PolarHBondContact O-N 3.43Å; T672-A674 PolarHBondContact O-N 2.89Å; A674-S678 PolarHBondContact O-N 3.37Å
675F76.5Confident78.6Confident131 Ų13185.9 Ų85.958%0.57552%0.523SS*.Hα-helixtrans-67.1-53.2173.1-175.6-99.3000111.2S671 T672 V673 A677 S678 V679S671-F675 PolarHBondContact O-N 2.97Å; T672-F675 PolarHBondContact O-N 3.44Å; V673-F675 VanDerWaalsContact C-N 3.34Å; F675-A677 VanDerWaalsContact C-N 3.31Å; F675-A677 PolarHBondContact O-N 3.14Å; F675-S678 PolarHBondContact O-N 3.06Å; F675-S678 PolarHBondContact O-OG 2.73Å; F675-V679 HydrophobicContact CD1-CG2 4.48Å; F675-V679 HydrophobicContact CE1-CG2 4.16Å; F675-V679 HydrophobicContact CZ-CG2 4.39Å; F675-V679 PolarHBondContact O-N 2.78Å
676L81.2Confident79.7Confident98 Ų9884.4 Ų84.451%0.51351%0.506SS..Hα-helixtrans-58.9-39.8179.5-68.3172.8000112.6T672 V673 S678 V679 V680T672-L676 HydrophobicContact CG2-CD1 4.01Å; T672-L676 HydrophobicContact CG2-CG 4.44Å; T672-L676 WeakPolarHBondContact O-CG 3.4Å; T672-L676 PolarHBondContact O-N 2.92Å; V673-L676 PolarHBondContact O-N 3.47Å; L676-S678 PolarHBondContact O-N 2.89Å; L676-V679 PolarHBondContact O-N 3.39Å; L676-V679 VanDerWaalsContact O-N 3.07Å; L676-V680 PolarHBondContact O-N 2.79Å
677A80.4Confident81.1Confident66 Ų6683.5 Ų83.555%0.54549%0.491SS..Hα-helixtrans-65.2-19.7176.100000113.9V673 F675V673-A677 WeakPolarHBondContact O-CB 3.5Å; V673-A677 PolarHBondContact O-N 3.26Å; F675-A677 VanDerWaalsContact C-N 3.31Å; F675-A677 PolarHBondContact O-N 3.14Å
678S77Confident81.7Confident48 Ų4883 Ų8334%0.33650%0.498SS..Hα-helixtrans-89.4-11.6172.967.30000114.2P654 A674 F675 L676P654-S678 WeakPolarHBondContact CD-OG 3.48Å; A674-S678 PolarHBondContact O-N 3.37Å; F675-S678 PolarHBondContact O-N 3.06Å; F675-S678 PolarHBondContact O-OG 2.73Å; L676-S678 PolarHBondContact O-N 2.89Å
679V81Confident82.3Confident101 Ų10180.9 Ų80.961%0.61249%0.488SS*.Hα-helixtrans-94.9-27.3178.41760000112F675 L676F675-V679 HydrophobicContact CD1-CG2 4.48Å; F675-V679 HydrophobicContact CE1-CG2 4.16Å; F675-V679 HydrophobicContact CZ-CG2 4.39Å; F675-V679 PolarHBondContact O-N 2.78Å; L676-V679 PolarHBondContact O-N 3.39Å; L676-V679 VanDerWaalsContact O-N 3.07Å
680V84.3Confident82.9Confident71 Ų7181.7 Ų81.743%0.4348%0.483SS..SBendtrans-87.7134.9179-62.90000112.3L676 A685L676-V680 PolarHBondContact O-N 2.79Å; V680-A685 HydrophobicContact CG2-CB 4Å
681D81.4Confident83.6Confident83 Ų8381.3 Ų81.344%0.44449%0.488SS..  trans-64135.1171.8-179.3-77.3000110.3R683 V684 A685D681-R683 PolarHBondContact O-N 3.3Å; D681-R683 WeakPolarHBondContact OD1-CA 3.41Å; D681-R683 WeakPolarHBondContact OD1-CB 3.03Å; D681-R683 WeakPolarHBondContact OD1-CG 3.32Å; D681-R683 PolarHBondContact OD1-N 2.69Å; D681-V684 HydrophobicContact CB-CG2 4.25Å; D681-V684 PolarHBondContact O-N 3.23Å; D681-A685 PolarHBondContact O-N 3.2Å
682P84Confident84.1Confident101 Ų10181.8 Ų81.866%0.65650%0.495SS*.Hα-helixtrans-54.7-26.5-179-29.436.2000115.2S686P682-S686 WeakPolarHBondContact O-CB 3.26Å; P682-S686 PolarHBondContact O-N 3.09Å
683R87.4Confident84.5Confident207 Ų20783.9 Ų83.978%0.78150%0.502SS*.Hα-helixtrans-72.4-40.9176-55.8168178-166.5-0.5111.3D681 S686 A687D681-R683 PolarHBondContact O-N 3.3Å; D681-R683 WeakPolarHBondContact OD1-CA 3.41Å; D681-R683 WeakPolarHBondContact OD1-CB 3.03Å; D681-R683 WeakPolarHBondContact OD1-CG 3.32Å; D681-R683 PolarHBondContact OD1-N 2.69Å; R683-S686 PolarHBondContact O-N 2.93Å; R683-A687 VanDerWaalsContact O-CB 3.29Å; R683-A687 WeakPolarHBondContact O-CB 3.32Å; R683-A687 PolarHBondContact O-N 3.29Å
684V90.2Very high84.9Confident96 Ų9684.8 Ų84.858%0.58250%0.502SS*.Hα-helixtrans-68.4-45.7176.1-179.70000109.7D681 S686 A687 A688D681-V684 HydrophobicContact CB-CG2 4.25Å; D681-V684 PolarHBondContact O-N 3.23Å; V684-S686 VanDerWaalsContact C-N 3.35Å; V684-S686 PolarHBondContact O-N 3.41Å; V684-A687 PolarHBondContact O-N 2.58Å; V684-A688 WeakPolarHBondContact O-CB 3.46Å; V684-A688 PolarHBondContact O-N 3.29Å
685A86.6Confident85.5Confident43 Ų4388 Ų8836%0.35551%0.513SS..Hα-helixtrans-59.5-44.217400000111.9V680 D681 A689V680-A685 HydrophobicContact CG2-CB 4Å; D681-A685 PolarHBondContact O-N 3.2Å; A685-A689 WeakPolarHBondContact O-CB 3.31Å; A685-A689 PolarHBondContact O-N 2.92Å
686S84.9Confident85.8Confident79 Ų7988.9 Ų88.955%0.55252%0.517SS*.Hα-helixtrans-68.3-34.6177.4-175.10000113.2P682 R683 V684 K690P682-S686 WeakPolarHBondContact O-CB 3.26Å; P682-S686 PolarHBondContact O-N 3.09Å; R683-S686 PolarHBondContact O-N 2.93Å; V684-S686 VanDerWaalsContact C-N 3.35Å; V684-S686 PolarHBondContact O-N 3.41Å; S686-K690 WeakPolarHBondContact O-CB 3.4Å; S686-K690 PolarHBondContact O-N 3.07Å
687A90.6Very high85.9Confident53 Ų5387 Ų8744%0.43851%0.511SS..Hα-helixtrans-69.1-49.3176.300000110.9R683 V684 A689 K690 S691R683-A687 VanDerWaalsContact O-CB 3.29Å; R683-A687 WeakPolarHBondContact O-CB 3.32Å; R683-A687 PolarHBondContact O-N 3.29Å; V684-A687 PolarHBondContact O-N 2.58Å; A687-A689 PolarHBondContact O-N 3.24Å; A687-K690 PolarHBondContact O-N 3.14Å; A687-S691 PolarHBondContact O-N 2.88Å; A687-S691 PolarHBondContact O-OG 2.93Å
688A86.1Confident86Confident63 Ų6390.6 Ų90.652%0.52151%0.511SS..Hα-helixtrans-60.6-44.5176.900000111.9V684 A692V684-A688 WeakPolarHBondContact O-CB 3.46Å; V684-A688 PolarHBondContact O-N 3.29Å; A688-A692 VanDerWaalsContact O-CB 3.31Å; A688-A692 WeakPolarHBondContact O-CB 3.46Å; A688-A692 PolarHBondContact O-N 2.91Å
689A90.2Very high85.9Confident51 Ų5194.8 Ų94.842%0.42153%0.527SS..Hα-helixtrans-63.7-40.9175.100000112.2A685 A687 A692 L693A685-A689 WeakPolarHBondContact O-CB 3.31Å; A685-A689 PolarHBondContact O-N 2.92Å; A687-A689 PolarHBondContact O-N 3.24Å; A689-A692 PolarHBondContact O-N 2.95Å; A689-L693 WeakPolarHBondContact O-CB 3.26Å; A689-L693 WeakPolarHBondContact O-CD1 3.42Å; A689-L693 PolarHBondContact O-N 2.89Å
690K89.9Confident85.6Confident123 Ų12398 Ų9854%0.53553%0.533SS..Hα-helixtrans-61.1-53.1176.4178.9-179.7168.3-177.70111.1S686 A687 A692 L693 E694S686-K690 WeakPolarHBondContact O-CB 3.4Å; S686-K690 PolarHBondContact O-N 3.07Å; A687-K690 PolarHBondContact O-N 3.14Å; K690-A692 VanDerWaalsContact C-N 3.31Å; K690-A692 PolarHBondContact O-N 2.87Å; K690-L693 PolarHBondContact O-N 3.47Å; K690-L693 VanDerWaalsContact O-N 3.1Å; K690-E694 WeakPolarHBondContact CE-OE1 3.48Å; K690-E694 WeakPolarHBondContact CE-OE2 3.47Å; K690-E694 HydrophobicContact CG-CG 4.37Å; K690-E694 IonicContact NZ-OE1 3.74Å; K690-E694 PolarHBondContact NZ-OE1 3.38Å; K690-E694 WeakPolarHBondContact O-CG 3.47Å; K690-E694 PolarHBondContact O-N 3.29Å
691S91.4Very high84.8Confident69 Ų69102.2 Ų102.248%0.48355%0.548SS..Hα-helixtrans-61.9-38.6-179.9-61.60000112.2A687 L693 E694 E695A687-S691 PolarHBondContact O-N 2.88Å; A687-S691 PolarHBondContact O-OG 2.93Å; S691-L693 VanDerWaalsContact C-N 3.35Å; S691-L693 PolarHBondContact O-N 3.08Å; S691-E694 PolarHBondContact O-N 3.14Å; S691-E695 PolarHBondContact O-N 2.88Å
692A88.6Confident84.4Confident60 Ų60104.3 Ų104.350%0.49656%0.555SS.*Hα-helixtrans-63.9-36.9174.100000112.9A688 A689 K690 F696A688-A692 VanDerWaalsContact O-CB 3.31Å; A688-A692 WeakPolarHBondContact O-CB 3.46Å; A688-A692 PolarHBondContact O-N 2.91Å; A689-A692 PolarHBondContact O-N 2.95Å; K690-A692 VanDerWaalsContact C-N 3.31Å; K690-A692 PolarHBondContact O-N 2.87Å; A692-F696 WeakPolarHBondContact O-CB 3.33Å; A692-F696 PolarHBondContact O-N 3.28Å
693L86.2Confident83Confident122 Ų122103 Ų10364%0.63955%0.545SS*.Hα-helixtrans-74-34.1175.4-9766.5000112.8A689 K690 S691 S697A689-L693 WeakPolarHBondContact O-CB 3.26Å; A689-L693 WeakPolarHBondContact O-CD1 3.42Å; A689-L693 PolarHBondContact O-N 2.89Å; K690-L693 PolarHBondContact O-N 3.47Å; K690-L693 VanDerWaalsContact O-N 3.1Å; S691-L693 VanDerWaalsContact C-N 3.35Å; S691-L693 PolarHBondContact O-N 3.08Å; L693-S697 WeakPolarHBondContact O-CB 3.42Å; L693-S697 PolarHBondContact O-N 2.96Å
694E87.9Confident82.3Confident90 Ų9097.3 Ų97.342%0.42154%0.535SS..Hα-helixtrans-65.8-47.8175.4-74.2175.4148.900110.7K690 S691 S697 R698K690-E694 WeakPolarHBondContact CE-OE1 3.48Å; K690-E694 WeakPolarHBondContact CE-OE2 3.47Å; K690-E694 HydrophobicContact CG-CG 4.37Å; K690-E694 IonicContact NZ-OE1 3.74Å; K690-E694 PolarHBondContact NZ-OE1 3.38Å; K690-E694 WeakPolarHBondContact O-CG 3.47Å; K690-E694 PolarHBondContact O-N 3.29Å; S691-E694 PolarHBondContact O-N 3.14Å; E694-S697 WeakPolarHBondContact O-CB 3.44Å; E694-S697 PolarHBondContact O-N 3.39Å; E694-S697 VanDerWaalsContact O-N 3.15Å; E694-R698 PolarHBondContact O-N 3.38Å; E694-R698 VanDerWaalsContact O-N 3.07Å
695E89.8Confident81.1Confident94 Ų9496.5 Ų96.544%0.43954%0.538SS..Hα-helixtrans-65.8-39.3174.6-67.9-55.1119.800112.6S691 S697 R698 M699S691-E695 PolarHBondContact O-N 2.88Å; E695-S697 PolarHBondContact O-N 3.32Å; E695-R698 WeakPolarHBondContact O-CB 3.44Å; E695-R698 PolarHBondContact O-N 2.78Å; E695-R698 VanDerWaalsContact OE1-CD 3.28Å; E695-R698 WeakPolarHBondContact OE1-CD 3.37Å; E695-R698 IonicContact OE1-NE 2.78Å; E695-R698 PolarHBondContact OE1-NE 3.43Å; E695-M699 WeakPolarHBondContact O-CG 3.08Å; E695-M699 PolarHBondContact O-N 3.19Å
696F83.3Confident80.2Confident148 Ų14898 Ų9865%0.64955%0.551SS**Hα-helixtrans-63.9-27.6173.1-175.1-101.3000112.9A692 K700A692-F696 WeakPolarHBondContact O-CB 3.33Å; A692-F696 PolarHBondContact O-N 3.28Å; F696-K700 WeakPolarHBondContact O-CB 3.47Å; F696-K700 PolarHBondContact O-N 3.23Å
697S82.3Confident78.9Confident58 Ų5898.6 Ų98.641%0.40655%0.547SS..Hα-helixtrans-72.4-42.5172.3-155.90000111.5L693 E694 E695 K700 E701L693-S697 WeakPolarHBondContact O-CB 3.42Å; L693-S697 PolarHBondContact O-N 2.96Å; E694-S697 WeakPolarHBondContact O-CB 3.44Å; E694-S697 PolarHBondContact O-N 3.39Å; E694-S697 VanDerWaalsContact O-N 3.15Å; E695-S697 PolarHBondContact O-N 3.32Å; S697-K700 PolarHBondContact O-N 2.82Å; S697-E701 PolarHBondContact O-N 3.01Å
698R82.1Confident77.8Confident143 Ų14399.5 Ų99.554%0.5455%0.547SS..Hα-helixtrans-58.1-52.5174.2-65.1178.8-173.1-78.7-2.6111.6E694 E695 K700 E701 E702E694-R698 PolarHBondContact O-N 3.38Å; E694-R698 VanDerWaalsContact O-N 3.07Å; E695-R698 WeakPolarHBondContact O-CB 3.44Å; E695-R698 PolarHBondContact O-N 2.78Å; E695-R698 VanDerWaalsContact OE1-CD 3.28Å; E695-R698 WeakPolarHBondContact OE1-CD 3.37Å; E695-R698 IonicContact OE1-NE 2.78Å; E695-R698 PolarHBondContact OE1-NE 3.43Å; R698-K700 PolarHBondContact O-N 2.77Å; R698-E701 PolarHBondContact O-N 2.79Å; R698-E702 WeakPolarHBondContact O-CG 3.48Å; R698-E702 PolarHBondContact O-N 2.81Å
699M76.1Confident77.2Confident135 Ų135101.3 Ų101.367%0.66555%0.545SS*.Hα-helixtrans-59.4-15178.7-71.7-173.8174.300114.3E695E695-M699 WeakPolarHBondContact O-CG 3.08Å; E695-M699 PolarHBondContact O-N 3.19Å
700K75.3Confident76.1Confident169 Ų169101 Ų10174%0.73554%0.542SS*.Hα-helixtrans-94.8-22.1176.3-167.6-173.1171.7-164.20113.1F696 S697 R698F696-K700 WeakPolarHBondContact O-CB 3.47Å; F696-K700 PolarHBondContact O-N 3.23Å; S697-K700 PolarHBondContact O-N 2.82Å; R698-K700 PolarHBondContact O-N 2.77Å
701E67.3Low74.5Confident160 Ų16097.2 Ų97.275%0.74853%0.526SS*.Hα-helixtrans-94.8-20.4176.8-68.9176.5-176.800111.9S697 R698S697-E701 PolarHBondContact O-N 3.01Å; R698-E701 PolarHBondContact O-N 2.79Å
702E71.7Confident73.6Confident127 Ų12797.2 Ų97.259%0.59352%0.523SS*.SBendtrans-67.2134.3170.9-75.8171.2-16000112.7R698R698-E702 WeakPolarHBondContact O-CG 3.48Å; R698-E702 PolarHBondContact O-N 2.81Å
703V55.1Low72.8Confident73 Ų73101.6 Ų101.644%0.44253%0.527SS..PPolyproline II helixtrans-67.3128.9171.5177.30000108.6A705 L707 V708V703-A705 PolarHBondContact O-N 3Å; V703-L707 HydrophobicContact CG1-CB 3.91Å; V703-L707 HydrophobicContact CG1-CD1 4.22Å; V703-V708 HydrophobicContact CB-CG2 4.16Å; V703-V708 HydrophobicContact CG1-CG2 4.06Å
704P72.6Confident71.8Confident88 Ų88100.1 Ų100.157%0.57151%0.513SS*.PPolyproline II helixtrans-50.1126.3-179-30.235000112.4A706 L707P704-A706 PolarHBondContact O-N 3.12Å; P704-L707 WeakPolarHBondContact O-CB 3.35Å; P704-L707 PolarHBondContact O-N 2.65Å
705A64.8Low70.7Confident79 Ų7996.9 Ų96.965%0.65350%0.499SS*.Hα-helixtrans-51.8-32.5-16900000114.4V703 L707 V708 E709V703-A705 PolarHBondContact O-N 3Å; A705-L707 VanDerWaalsContact C-N 3.3Å; A705-L707 PolarHBondContact O-N 2.9Å; A705-V708 PolarHBondContact O-N 2.74Å; A705-V708 VanDerWaalsContact O-N 3.16Å; A705-E709 PolarHBondContact O-N 3.31Å
706A68.4Low69.6Low75 Ų7597.7 Ų97.762%0.6250%0.503SS*.Hα-helixtrans-60.5-32175.300000114.1P704 A710P704-A706 PolarHBondContact O-N 3.12Å; A706-A710 WeakPolarHBondContact O-CB 3.43Å; A706-A710 PolarHBondContact O-N 3.25Å
707L58.3Low68.9Low91 Ų9196.7 Ų96.748%0.47650%0.5SS..Hα-helixtrans-75-36.6174.5-75.2168.4000111.7V703 P704 A705 A710 H711V703-L707 HydrophobicContact CG1-CB 3.91Å; V703-L707 HydrophobicContact CG1-CD1 4.22Å; P704-L707 WeakPolarHBondContact O-CB 3.35Å; P704-L707 PolarHBondContact O-N 2.65Å; A705-L707 VanDerWaalsContact C-N 3.3Å; A705-L707 PolarHBondContact O-N 2.9Å; L707-A710 PolarHBondContact O-N 2.97Å; L707-H711 WeakPolarHBondContact O-CB 3.43Å; L707-H711 PolarHBondContact O-N 2.89Å
708V66.5Low67.9Low72 Ų7294.7 Ų94.744%0.43649%0.487SS..Hα-helixtrans-65.8-48.6175.3-175.90000109.9V703 A705 A710 H711 V712V703-V708 HydrophobicContact CB-CG2 4.16Å; V703-V708 HydrophobicContact CG1-CG2 4.06Å; A705-V708 PolarHBondContact O-N 2.74Å; A705-V708 VanDerWaalsContact O-N 3.16Å; V708-A710 VanDerWaalsContact C-N 3.34Å; V708-A710 PolarHBondContact O-N 3.1Å; V708-H711 PolarHBondContact O-N 3.29Å; V708-V712 WeakPolarHBondContact O-CG2 3.38Å; V708-V712 PolarHBondContact O-N 3.15Å
709E73.6Confident67Low101 Ų10188.7 Ų88.747%0.47247%0.468SS..Hα-helixtrans-61.3-41.5176.3-163.3-170.7166.600111.8A705 H711 V712 R713A705-E709 PolarHBondContact O-N 3.31Å; E709-H711 VanDerWaalsContact C-N 3.26Å; E709-H711 PolarHBondContact O-N 3.47Å; E709-V712 PolarHBondContact O-N 3.36Å; E709-R713 WeakPolarHBondContact O-CG 3.27Å; E709-R713 PolarHBondContact O-N 3.37Å; E709-R713 IonicContact OE1-CZ 3.3Å; E709-R713 VanDerWaalsContact OE1-CZ 3.27Å; E709-R713 IonicContact OE1-NE 2.79Å; E709-R713 PolarHBondContact OE1-NE 3.2Å; E709-R713 VanDerWaalsContact OE1-NE 3.16Å; E709-R713 IonicContact OE1-NH2 2.75Å; E709-R713 PolarHBondContact OE1-NH2 3.37Å
710A66.6Low66.7Low45 Ų4592.3 Ų92.337%0.37247%0.474SS..Hα-helixtrans-68.5-19.4174.900000113.8A706 L707 V708 R714A706-A710 WeakPolarHBondContact O-CB 3.43Å; A706-A710 PolarHBondContact O-N 3.25Å; L707-A710 PolarHBondContact O-N 2.97Å; V708-A710 VanDerWaalsContact C-N 3.34Å; V708-A710 PolarHBondContact O-N 3.1Å; A710-R714 WeakPolarHBondContact O-CG 3.45Å; A710-R714 PolarHBondContact O-NE 2.98Å
711H57.8Low66.2Low43 Ų4390.3 Ų90.320%0.19948%0.476CS..Hα-helixtrans-82.9-48.2170.3177.747.2000111.2L707 V708 E709 R713 R714 V715 Y729L707-H711 WeakPolarHBondContact O-CB 3.43Å; L707-H711 PolarHBondContact O-N 2.89Å; V708-H711 PolarHBondContact O-N 3.29Å; E709-H711 VanDerWaalsContact C-N 3.26Å; E709-H711 PolarHBondContact O-N 3.47Å; H711-R713 PolarHBondContact O-N 3.26Å; H711-R714 WeakPolarHBondContact O-CB 3.43Å; H711-R714 PolarHBondContact O-N 2.8Å; H711-V715 PolarHBondContact O-N 2.97Å; H711-Y729 PolarHBondContact CE1-O 2.93Å
712V71.4Confident65.8Low68 Ų6886.4 Ų86.441%0.41247%0.467SS..Hα-helixtrans-53.9-50.3177.1172.10000111.2V708 E709 R714 V715 E716V708-V712 WeakPolarHBondContact O-CG2 3.38Å; V708-V712 PolarHBondContact O-N 3.15Å; E709-V712 PolarHBondContact O-N 3.36Å; V712-R714 VanDerWaalsContact C-N 3.26Å; V712-R714 PolarHBondContact O-N 2.81Å; V712-V715 PolarHBondContact O-N 3.09Å; V712-V715 VanDerWaalsContact O-N 3.09Å; V712-E716 HydrophobicContact CG1-CG 4.25Å; V712-E716 WeakPolarHBondContact O-CG 3.22Å; V712-E716 PolarHBondContact O-N 3.35Å
713R71.1Confident65.1Low153 Ų15383.7 Ų83.758%0.57747%0.473SS*.Hα-helixtrans-59.3-34.2178.1-69.5-178.3-174.6-152.45.8113.2E709 H711 E717E709-R713 WeakPolarHBondContact O-CG 3.27Å; E709-R713 PolarHBondContact O-N 3.37Å; E709-R713 IonicContact OE1-CZ 3.3Å; E709-R713 VanDerWaalsContact OE1-CZ 3.27Å; E709-R713 IonicContact OE1-NE 2.79Å; E709-R713 PolarHBondContact OE1-NE 3.2Å; E709-R713 VanDerWaalsContact OE1-NE 3.16Å; E709-R713 IonicContact OE1-NH2 2.75Å; E709-R713 PolarHBondContact OE1-NH2 3.37Å; H711-R713 PolarHBondContact O-N 3.26Å; R713-E717 VanDerWaalsContact O-CB 3.29Å; R713-E717 WeakPolarHBondContact O-CB 3.29Å; R713-E717 PolarHBondContact O-N 2.97Å
714R65.9Low65.2Low91 Ų9190.2 Ų90.234%0.34349%0.489SS..Hα-helixtrans-69.9-39.4175.8-80.2-178-75.1171.7-2.4112A710 H711 V712 A718 G733A710-R714 WeakPolarHBondContact O-CG 3.45Å; A710-R714 PolarHBondContact O-NE 2.98Å; H711-R714 WeakPolarHBondContact O-CB 3.43Å; H711-R714 PolarHBondContact O-N 2.8Å; V712-R714 VanDerWaalsContact C-N 3.26Å; V712-R714 PolarHBondContact O-N 2.81Å; R714-A718 VanDerWaalsContact O-CB 3.25Å; R714-A718 WeakPolarHBondContact O-CB 3.46Å; R714-A718 PolarHBondContact O-N 3.28Å; R714-G733 PolarHBondContact NH1-O 3.17Å; R714-G733 VanDerWaalsContact NH1-O 3.13Å
715V64Low64.1Low22 Ų2293.4 Ų93.413%0.13350%0.497CS..Hα-helixtrans-68-41.7175.4176.20000111H711 V712 A719H711-V715 PolarHBondContact O-N 2.97Å; V712-V715 PolarHBondContact O-N 3.09Å; V712-V715 VanDerWaalsContact O-N 3.09Å; V715-A719 VanDerWaalsContact O-CB 3.29Å; V715-A719 WeakPolarHBondContact O-CB 3.48Å; V715-A719 PolarHBondContact O-N 2.95Å
716E68.3Low63.6Low111 Ų11193.8 Ų93.852%0.51949%0.488SS..Hα-helixtrans-64.4-45.8175.9-71-179.9148.200112.6V712 A719 R720V712-E716 HydrophobicContact CG1-CG 4.25Å; V712-E716 WeakPolarHBondContact O-CG 3.22Å; V712-E716 PolarHBondContact O-N 3.35Å; E716-A719 PolarHBondContact O-N 3.48Å; E716-R720 WeakPolarHBondContact O-CB 3.48Å; E716-R720 PolarHBondContact O-N 3.48Å
717E68.9Low63.1Low126 Ų12694.9 Ų94.959%0.58949%0.488SS*.Hα-helixtrans-64.5-41.3178-175.7161.4-139.500111.5R713 R720 V721R713-E717 VanDerWaalsContact O-CB 3.29Å; R713-E717 WeakPolarHBondContact O-CB 3.29Å; R713-E717 PolarHBondContact O-N 2.97Å; E717-R720 PolarHBondContact O-N 3.02Å; E717-V721 PolarHBondContact O-N 3.31Å
718A59.8Low62.9Low16 Ų1696.7 Ų96.713%0.13250%0.498CS..Hα-helixtrans-62.8-46.7173.900000112.4R714 R720 V721 S722 Y729R714-A718 VanDerWaalsContact O-CB 3.25Å; R714-A718 WeakPolarHBondContact O-CB 3.46Å; R714-A718 PolarHBondContact O-N 3.28Å; A718-R720 PolarHBondContact O-N 3.49Å; A718-V721 PolarHBondContact O-N 2.88Å; A718-S722 PolarHBondContact O-N 3.04Å; A718-S722 PolarHBondContact O-OG 3.18Å; A718-Y729 HydrophobicContact CB-CD1 3.35Å; A718-Y729 HydrophobicContact CB-CD2 4.27Å; A718-Y729 HydrophobicContact CB-CE1 3.32Å; A718-Y729 HydrophobicContact CB-CE2 4.23Å; A718-Y729 HydrophobicContact CB-CG 3.85Å
719A63.5Low62.4Low17 Ų1799.8 Ų99.814%0.1450%0.503CS..Hα-helixtrans-60.6-34.417800000112.6V715 E716 V721 G723 Q725V715-A719 VanDerWaalsContact O-CB 3.29Å; V715-A719 WeakPolarHBondContact O-CB 3.48Å; V715-A719 PolarHBondContact O-N 2.95Å; E716-A719 PolarHBondContact O-N 3.48Å; A719-V721 PolarHBondContact O-N 3.32Å; A719-G723 PolarHBondContact O-N 3.17Å; A719-Q725 HydrophobicContact CB-CB 4.31Å; A719-Q725 HydrophobicContact CB-CG 3.52Å
720R70Confident61.7Low211 Ų21196.5 Ų96.580%0.79650%0.496SS*.Hα-helixtrans-69.6-16.9175.6-157.9179.970.6155.4-0.7113.5E716 E717 A718E716-R720 WeakPolarHBondContact O-CB 3.48Å; E716-R720 PolarHBondContact O-N 3.48Å; E717-R720 PolarHBondContact O-N 3.02Å; A718-R720 PolarHBondContact O-N 3.49Å
721V63.8Low61Low127 Ų12796.8 Ų96.877%0.7749%0.491SS*.Hα-helixtrans-102-36.31771770000112E717 A718 A719E717-V721 PolarHBondContact O-N 3.31Å; A718-V721 PolarHBondContact O-N 2.88Å; A719-V721 PolarHBondContact O-N 3.32Å
722S59.4Low60.8Low79 Ų79103.5 Ų103.555%0.55252%0.522SS*.Hα-helixtrans-88.6-22.7-176.771.60000114.6A718 R724A718-S722 PolarHBondContact O-N 3.04Å; A718-S722 PolarHBondContact O-OG 3.18Å; S722-R724 VanDerWaalsContact C-N 3.26Å; S722-R724 PolarHBondContact O-N 3.42Å; S722-R724 PolarHBondContact OG-N 3.31Å; S722-R724 VanDerWaalsContact OG-N 3.13Å; S722-R724 PolarHBondContact OG-O 3.27Å
723G58Low59.7Low70 Ų70103 Ų10372%0.72253%0.531SS*.SBendtrans74.98.7-171.800000114.8A719A719-G723 PolarHBondContact O-N 3.17Å
724R57Low59Low209 Ų20997 Ų9779%0.78951%0.512SS*.SBendtrans-137.6131.5171.8-74-175.8172.3176.1-2.9110.6S722S722-R724 VanDerWaalsContact C-N 3.26Å; S722-R724 PolarHBondContact O-N 3.42Å; S722-R724 PolarHBondContact OG-N 3.31Å; S722-R724 VanDerWaalsContact OG-N 3.13Å; S722-R724 PolarHBondContact OG-O 3.27Å
725Q50Low58.3Low156 Ų15696.4 Ų96.473%0.72953%0.534SS*.  trans-74123.4164.7-76178.6-28.100109.1A719A719-Q725 HydrophobicContact CB-CB 4.31Å; A719-Q725 HydrophobicContact CB-CG 3.52Å
726D53.9Low57.8Low87 Ų8799.4 Ų99.447%0.46555%0.549SS..  trans-119.1111.1168.6-172.2-27.5000108.2L728 Y729D726-L728 PolarHBondContact O-N 2.91Å; D726-L728 VanDerWaalsContact O-N 3.16Å; D726-L728 PolarHBondContact OD1-N 3.23Å; D726-Y729 WeakPolarHBondContact O-CB 3.29Å; D726-Y729 PolarHBondContact O-N 3.01Å; D726-Y729 VanDerWaalsContact O-N 3.14Å
727P56.4Low56.3Low97 Ų9799 Ų9963%0.6357%0.565SS**THydrogen-bonded Turntrans-61.6-16.5-179.3-25.135.6000115.3
728L56Low55.3Low129 Ų12996.8 Ų96.868%0.67558%0.575SS**THydrogen-bonded Turntrans-87.2-6177.2-80.582.1000113.3D726 G730 L731D726-L728 PolarHBondContact O-N 2.91Å; D726-L728 VanDerWaalsContact O-N 3.16Å; D726-L728 PolarHBondContact OD1-N 3.23Å; L728-G730 PolarHBondContact O-N 2.73Å; L728-L731 PolarHBondContact O-N 3.08Å
729Y54.9Low54.6Low138 Ų13899.8 Ų99.854%0.54159%0.592SS.*THydrogen-bonded Turntrans-62.9113.9-169-165.5-86.4000113H711 A718 D726H711-Y729 PolarHBondContact CE1-O 2.93Å; A718-Y729 HydrophobicContact CB-CD1 3.35Å; A718-Y729 HydrophobicContact CB-CD2 4.27Å; A718-Y729 HydrophobicContact CB-CE1 3.32Å; A718-Y729 HydrophobicContact CB-CE2 4.23Å; A718-Y729 HydrophobicContact CB-CG 3.85Å; D726-Y729 WeakPolarHBondContact O-CB 3.29Å; D726-Y729 PolarHBondContact O-N 3.01Å; D726-Y729 VanDerWaalsContact O-N 3.14Å
730G58.3Low53.3Low31 Ų31102.3 Ų102.332%0.3262%0.62SS.*THydrogen-bonded Turntrans83.610.917700000116L728 E732 G733L728-G730 PolarHBondContact O-N 2.73Å; G730-E732 VanDerWaalsContact C-N 3.33Å; G730-E732 PolarHBondContact O-N 3.4Å; G730-G733 PolarHBondContact O-N 2.85Å
731L53.5Low51.6Low51 Ų51101 Ų10127%0.26763%0.627SS.*G310 helixtrans-64.5-33.8175.9-110.5142.9000113.1L728 G733 S734 I736L728-L731 PolarHBondContact O-N 3.08Å; L731-G733 PolarHBondContact O-N 2.68Å; L731-S734 WeakPolarHBondContact O-CB 3.45Å; L731-S734 PolarHBondContact O-N 2.67Å; L731-S734 PolarHBondContact O-OG 2.82Å; L731-I736 HydrophobicContact CD2-CD1 4.19Å
732E52.6Low50.3Low184 Ų184104.6 Ų104.686%0.8664%0.636SS**G310 helixtrans-59-29174.8-61.6172.8158.400112.5G730G730-E732 VanDerWaalsContact C-N 3.33Å; G730-E732 PolarHBondContact O-N 3.4Å
733G48Very low49.2Very low58 Ų58110 Ų11060%0.59865%0.653SS**G310 helixtrans-96.128.3175.700000114.2R714 G730 L731R714-G733 PolarHBondContact NH1-O 3.17Å; R714-G733 VanDerWaalsContact NH1-O 3.13Å; G730-G733 PolarHBondContact O-N 2.85Å; L731-G733 PolarHBondContact O-N 2.68Å
734S55.9Low48.1Very low27 Ų27109.8 Ų109.819%0.18965%0.65CS.*SBendtrans-103.3-19.2-178.869.90000114.9L731 I736L731-S734 WeakPolarHBondContact O-CB 3.45Å; L731-S734 PolarHBondContact O-N 2.67Å; L731-S734 PolarHBondContact O-OG 2.82Å; S734-I736 VanDerWaalsContact C-N 3.3Å; S734-I736 WeakPolarHBondContact OG-CG1 3.32Å; S734-I736 PolarHBondContact OG-N 3.42Å
735G53Low47Very low78 Ų78105.8 Ų105.880%0.80464%0.644SS**  trans75.912.4-176.100000114.9
736I52.3Low46.4Very low85 Ų85107.8 Ų107.844%0.43665%0.645SS.*  trans-73.3126.3174.7-62.9171.2000109.3L731 S734 G738L731-I736 HydrophobicContact CD2-CD1 4.19Å; S734-I736 VanDerWaalsContact C-N 3.3Å; S734-I736 WeakPolarHBondContact OG-CG1 3.32Å; S734-I736 PolarHBondContact OG-N 3.42Å; I736-G738 PolarHBondContact O-N 3.06Å
737A36.3Very low45.8Very low103 Ų103108.6 Ų108.685%0.85166%0.655SS**THydrogen-bonded Turntrans-71.9123.4-178.500000111.5
738G48.6Very low44.3Very low79 Ų79110.4 Ų110.481%0.81466%0.66SS**THydrogen-bonded Turntrans124.2-1.7173.500000116.3I736I736-G738 PolarHBondContact O-N 3.06Å
739T45.5Very low43.1Very low79 Ų79112 Ų11249%0.48566%0.663SS.*  trans-104.345.4-17565.20000113.7
740G35.2Very low41.7Very low70 Ų70109.8 Ų109.872%0.72267%0.668SS**  trans-149.2152.3178.600000112.2
741L34.9Very low40.2Very low183 Ų183112.9 Ų112.996%0.95869%0.685SS**  trans-117151.8-176-63.7170.3000110.9
742E36.9Very low38.8Very low203 Ų203118.2 Ų118.295%0.94971%0.714SS**  trans-117.1156178.4-71.4-167.8130.200112.6
743E35.5Very low37.6Very low194 Ų194117.9 Ų117.991%0.90771%0.712SS**  trans-154.7158.3175.5-143.7173.1-147.200108.7
744G36.2Very low36.5Very low64 Ų64120.2 Ų120.266%0.6672%0.719SS**  trans177.3175.9178.700000120.3
745D32.5Very low35.1Very low125 Ų125128.6 Ų128.667%0.66875%0.752SS**  trans67.4153.4169.2-81.154.8000119.4
746R38.4Very low33.6Very low199 Ų199130.5 Ų130.575%0.75175%0.753SS**  cis177.3174.1-34.4-122.5-173.1-81.9-104.1-9.6108
747P41Very low32.2Very low104 Ų104133.3 Ų133.368%0.67577%0.769SS**  cis-116.9-144.8-22.435.7-14000109.2
748D25.9Very low32.1Very low135 Ų135133.1 Ų133.172%0.72276%0.762SS**  cis-159.8-170.7-3.7-129.8-40.7000105.9
749E29.1Very low31.8Very low162 Ų162137.6 Ų137.676%0.75776%0.762SS**  cis-161.2149.14.3-139.9-131.983.300106.8
750S27.1Very low31.2Very low92 Ų92138.4 Ų138.464%0.64377%0.77SS**  cis-130.6-77.7-20.236.20000111.8
751S25.3Very low31.1Very low95 Ų95140.2 Ų140.266%0.66477%0.772SS**  cis-159.5135-13.962.40000111.8
752D24.5Very low30.8Very low164 Ų164139.9 Ų139.988%0.87777%0.765SS**SBendtrans61.1168.3-173.6-148.3-5.6000115.2
753E27.5Very low30.4Very low177 Ų177136 Ų13683%0.82775%0.747SS**SBendtrans-79.8149.5-152.2-68.2-163.1137.300118.7
754S24.9Very low30.1Very low107 Ų107132.6 Ų132.675%0.74873%0.729SS**SBendtrans96.9121.3154.180.60000119.7
755K27.6Very low29.7Very low202 Ų202139.5 Ų139.588%0.87874%0.736SS**  trans73.5124.2174.7-56174.8-1791720117.4
756S20Very low29.3Very low118 Ų118141 Ų14183%0.82574%0.743SS**  trans-95.9130.1156.144.90000109.6
757D22.8Very low28.7Very low144 Ų144135.4 Ų135.477%0.7774%0.74SS**  cis90.8135.915.8-152.468.7000114.2
758S34.5Very low28Very low99 Ų99138 Ų13869%0.69274%0.741SS**  cis-163-164.8-22.6-100.70000112.3
759Q43.4Very low28Very low174 Ų174138.7 Ų138.781%0.81374%0.739SS**  trans-90.8150.5-160.5-56.1165.2-136.800119.2
760S31.2Very low27.7Very low96 Ų96136.2 Ų136.267%0.67174%0.74SS**  trans48.9109.7136.566.60000125.5
761S34.2Very low27.6Very low107 Ų107140.5 Ų140.575%0.74875%0.747SS**  42.8128.4126.8640000125.5
762E28.6Very low27.4Very low177 Ų177143.4 Ų143.483%0.82776%0.755SS**  172.2143.2113.3-98-163136.900117.7
763E28.3Very low27.3Very low121 Ų121139.6 Ų139.657%0.56576%0.755SS**  trans65.6110.4139.8-64.3-969900126.7
764K28.3Very low27.3Very low122 Ų122135.4 Ų135.453%0.5375%0.75SS.*  80.7132.4120.9-79.8-170.3174.882.40126.7
765R27.8Very low27.3Very low210 Ų210137.9 Ų137.979%0.79275%0.752SS**  trans74.2150.3144.1-67.5171.7-177.3161.11118
766D24.2Very low27.2Very low155 Ų155134.5 Ų134.583%0.82974%0.739SS**  cis-145.4-157.934.7-142.1-55.5000114.5
767A27.4Very low27.3Very low82 Ų82138.1 Ų138.168%0.67874%0.743SS**  trans-130.6168.2-156.200000120.1
768K26.5Very low27.4Very low159 Ų159138 Ų13869%0.69174%0.738SS**  trans95.9124.8140.7-156.6166.8-168.5-80.60121.4
769E24.4Very low26.8Very low149 Ų149139.5 Ų139.570%0.69673%0.734SS**  trans54.7131.8155.5-72.2159.3-16900120
770S22.8Very low25.9Very low110 Ų110137.3 Ų137.377%0.76972%0.722SS**  -171.3167.469.9-59.80000113.7
771K24.6Very low25.4Very low183 Ų183140.5 Ų140.580%0.79673%0.726SS**  trans7898.3159.1-149.9169.2-172.3177.20116
772D21.2Very low24.9Very low156 Ų156140.6 Ų140.683%0.83472%0.722SS**  68130.784.2-62.8-48.6000114.5
773G23.4Very low24.6Very low84 Ų84139.6 Ų139.687%0.86672%0.717SS**  trans153.126.817400000118.4
774A27.8Very low24.3Very low88 Ų88140 Ų14073%0.72772%0.723SS**  trans-101.6172.9156.900000109
775M24.9Very low24.1Very low160 Ų160137.5 Ų137.579%0.78873%0.732SS**  trans74.2141.6-174.5-53.7160.98300112.4
776E24.7Very low24Very low130 Ų130136.5 Ų136.561%0.60773%0.733SS**  cis-162.9162.6-4.2-127.6153-157.100111.7E778E776-E778 HydrophobicContact CG-CG 4.49Å
777E22.8Very low24.1Very low195 Ų195136.7 Ų136.791%0.91173%0.727SS**  -149.5121.6112.4-125172.6-161.600109.5
778E23.4Very low24Very low140 Ų140140 Ų14065%0.65473%0.728SS**  trans-71.9159.4162.9-64.5-171101.800109.8E776E776-E778 HydrophobicContact CG-CG 4.49Å
779E23.4Very low23.9Very low131 Ų131139.4 Ų139.461%0.61273%0.728SS**  169.5130.6112-86.9-90.69000112.4
780K23.4Very low23.9Very low129 Ų129139.4 Ų139.456%0.56173%0.728SS**  trans44.2125.3135.2-72.7-171.3-176.279.20122.9
781Q21.9Very low24.1Very low163 Ų163144.6 Ų144.676%0.76273%0.73SS**  70.9162.2118.5-63.2-177-1.800118.8
782V22.7Very low24.1Very low109 Ų109139.3 Ų139.366%0.66173%0.728SS**  cis-160.5161.1-11.6121.50000111.3
783E21.9Very low24.4Very low156 Ų156142.4 Ų142.473%0.72973%0.728SS**  trans72.6148.1158-98-178.312500123.7
784N22.9Very low24.4Very low130 Ų130146.1 Ų146.170%0.69572%0.723SS**  trans49.3126.3147-60-29.5000120.6
785G24.6Very low24.5Very low69 Ų69145.7 Ų145.771%0.71172%0.72SS**  cis96.8117.4-2.800000115.7
786K26.2Very low24.5Very low189 Ų189147.4 Ų147.482%0.82273%0.726SS**  trans-165.1128.6156.5-107.6177.9-177.6-168.20106.3
787K25.5Very low24.6Very low159 Ų159144.6 Ų144.669%0.69173%0.732SS**  53.7115.260.3-89.4-164.7160.1-118.90111.4E789K787-E789 IonicContact NZ-OE1 3.74Å; K787-E789 PolarHBondContact NZ-OE1 3.39Å
788E24.4Very low24.8Very low152 Ų152141.9 Ų141.971%0.7172%0.719SS**  -146.5149.766.4-93.1137.9-148.400110.6
789E24.2Very low25Very low145 Ų145144.1 Ų144.168%0.67872%0.721SS**  61.8138.980.4-62171.8-155.100113.1K787K787-E789 IonicContact NZ-OE1 3.74Å; K787-E789 PolarHBondContact NZ-OE1 3.39Å
790E25.6Very low25.1Very low150 Ų150145 Ų14570%0.70173%0.725SS**  cis-156.2176.513.4-152.2-148.3178.700111.9
791R26.6Very low25.2Very low218 Ų218143 Ų14382%0.82373%0.734SS**  trans70.3134.1165.1-58.5173.7179.7-162.7-10118.8
792G24.6Very low25.3Very low73 Ų73140.8 Ų140.875%0.75373%0.727SS**  cis111.4108.5-11.800000116
793R27Very low25.4Very low220 Ų220143.4 Ų143.483%0.8373%0.73SS**  trans-175.1124.7148.4-96-160.9159.6137.71.4107.8
794E24.1Very low25.5Very low162 Ų162142.2 Ų142.276%0.75773%0.733SS**  73.6130.471.9-71.3174.4172.500113
795A29.4Very low25.5Very low80 Ų80144.2 Ų144.266%0.66174%0.738SS**  cis-164164.3-400000113.1
796E25.7Very low26Very low195 Ų195146 Ų14691%0.91174%0.737SS**  trans58.1148.6152.7-71.1162-157.100120.4
797G25.9Very low25.8Very low71 Ų71144.7 Ų144.773%0.73273%0.734SS**  cis-171.2-175.8-2.100000108.6
798E27.2Very low25.7Very low139 Ų139144.9 Ų144.965%0.6574%0.739SS**  cis-160.9146.8-2.9-99.2-155.612000108.5
799R27.8Very low25.7Very low186 Ų186140.9 Ų140.970%0.70274%0.739SS**  trans62158.2149.9-63.6175.4-154.4-129.99.1119.6
800E25.1Very low25.6Very low149 Ų149141.7 Ų141.770%0.69675%0.748SS**  cis-154.5169.2-12.3-122.5166.6-139.600111.4
801A26Very low25.7Very low89 Ų89138 Ų13874%0.73675%0.749SS**  trans11.6158142.700000122.7
802D23.3Very low25.7Very low116 Ų116134.1 Ų134.162%0.6274%0.741SS**  cis177.5143.4-11.9170.141.9000108.8
803K24.8Very low25.8Very low164 Ų164138.1 Ų138.171%0.71374%0.737SS**  trans58.8170.5171.9-73.7162.1-166.178.70116.2
804T24.9Very low25.9Very low130 Ų130134.4 Ų134.480%0.79873%0.729SS**  cis-148.8154.510.9-23.60000110.4
805E23.6Very low26Very low173 Ų173133.3 Ų133.381%0.80872%0.722SS**  trans-76.9168.7152.6-51-171.6145.800109.8
806P34.5Very low25.8Very low107 Ų107135.9 Ų135.970%0.69573%0.725SS**  -148.8163.179.941.5-24000116.1
807E22.4Very low25.9Very low160 Ų160131.1 Ų131.175%0.74872%0.719SS**  trans37.1158.9130.5-60.8-160.8110.400123
808M23Very low25.9Very low164 Ų164136.2 Ų136.281%0.80872%0.721SS**  cis-173.1176.7-21-98.6-114.3-84.500107.7
809G24.9Very low25.8Very low67 Ų67137.4 Ų137.469%0.69173%0.727SS**  trans112.193.317400000111.3
810D22.1Very low25.7Very low163 Ų163131.9 Ų131.987%0.87273%0.728SS**  cis68.3134.343.5-161.122.4000113.8
811G26.7Very low25.7Very low71 Ų71130.4 Ų130.473%0.73273%0.729SS**  trans151.486.1-166.700000113
812E26.2Very low25.7Very low138 Ų138134.2 Ų134.265%0.64573%0.731SS**  trans-73.6167.3179.6-46.1176.59800114.4
813K28.1Very low25.8Very low157 Ų157137.9 Ų137.968%0.68375%0.745SS**  trans69.3151.1144.6-77.9156.9-164.7157.60118.3
814E27.1Very low25.8Very low141 Ų141133.9 Ų133.966%0.65975%0.75SS**  cis-159.3167-21.3-136.8-163.5166.500109.9
815K27.5Very low25.9Very low140 Ų140136.1 Ų136.161%0.60975%0.751SS**  trans60.3119.4150-76.9-170.5174.270.30122.6
816D25.5Very low26Very low133 Ų133137.4 Ų137.471%0.71175%0.749SS**  72.1117.8121.5-61.6-33.1000122.8
817A26.4Very low25.5Very low96 Ų96140.6 Ų140.679%0.79375%0.754SS**  trans71.2150.6135.700000118.4
818K27.8Very low25.6Very low177 Ų177135.9 Ų135.977%0.7775%0.749SS**  cis-149167.620.6-162.7165.6172.4176.80113.3
819E24.8Very low25.7Very low165 Ų165137.5 Ų137.577%0.77176%0.755SS**  trans-33.6150.6170.1-54154.5112.800116.1
820G25.6Very low25.8Very low70 Ų70142.7 Ų142.772%0.72276%0.763SS**  trans-177.544.8176.600000120.7
821T25.1Very low26Very low118 Ų118143.5 Ų143.572%0.72476%0.761SS**  trans58.7110.2139-430000122
822E25.5Very low26.1Very low168 Ų168143.8 Ų143.879%0.78577%0.765SS**  trans68.4138.2137.9-65175.3149.100125
823E24.7Very low26.3Very low194 Ų194144.2 Ų144.291%0.90777%0.767SS**  trans50.1133.6143.4-62.2-163.2155.800123.6
824G26.2Very low26.5Very low80 Ų80148.7 Ų148.783%0.82578%0.779SS**  trans171.381.5170.200000113.2
825Q25.4Very low27Very low176 Ų176150.3 Ų150.382%0.82278%0.784SS**  trans-76.7169.1174.6-69.7-174.1-28.900113
826R26.1Very low27.2Very low201 Ų201148.4 Ų148.476%0.75880%0.795SS**  trans82.8150.5162.4-57-168.9-177.1161.14.9116.7
827E24.3Very low27.9Very low173 Ų173150.1 Ų150.181%0.80880%0.796SS**  cis-174.2170.7-27-109151.8-169.400105.5
828G25.5Very low28.2Very low62 Ų62151.8 Ų151.864%0.63980%0.796SS**  trans101.298.3-177.400000111
829E24.3Very low28.7Very low198 Ų198150.5 Ų150.593%0.92579%0.793SS**  61.8106.465.1-55.8-170.8144.100113.6
830M27.2Very low29.4Very low176 Ų176153.9 Ų153.987%0.86780%0.798SS**  -162.4153.7112.8-168.9163.5176.200111
831E25.9Very low30.1Very low179 Ų179158.4 Ų158.484%0.83681%0.806SS**  trans-64.8166.7-177-52.5166.9104.800115.4
832G27.9Very low30.8Very low78 Ų78157.7 Ų157.780%0.80480%0.801SS**  trans172.379.816600000115.3
833E31.5Very low31.5Very low146 Ų146152.4 Ų152.468%0.68279%0.792SS**  trans-61.9145.2175.9-73.5-159.494.400114.3K835E833-K835 IonicContact OE1-NZ 2.98Å; E833-K835 PolarHBondContact OE1-NZ 2.87Å; E833-K835 IonicContact OE2-NZ 3Å
834R31.6Very low32.7Very low252 Ų252151.5 Ų151.595%0.95179%0.788SS**  -160.2137.9125.3-103.9150.2-158.3-144.63112.6
835K37.9Very low33.8Very low174 Ų174150.1 Ų150.176%0.75777%0.773SS**  trans-91.7137.5-174.1-58.8175.6172.677.50111.6E833E833-K835 IonicContact OE1-NZ 2.98Å; E833-K835 PolarHBondContact OE1-NZ 2.87Å; E833-K835 IonicContact OE2-NZ 3Å
836A32.9Very low35Very low101 Ų101146.8 Ų146.884%0.83576%0.761SS**  trans-146.5116.916100000111.4
837K38.4Very low36.3Very low169 Ų169143.5 Ų143.574%0.73576%0.757SS**  trans-69.9133.6-173.2179.7-164.6-179.5-152.90113E839K837-E839 WeakPolarHBondContact CE-OE2 3.38Å; K837-E839 IonicContact NZ-OE2 2.79Å; K837-E839 PolarHBondContact NZ-OE2 2.87Å
838V33.6Very low37.7Very low131 Ų131138.4 Ų138.479%0.79475%0.745SS**  trans-139.7127.5159.4177.70000109.5
839E37.8Very low39.2Very low149 Ų149139.7 Ų139.770%0.69674%0.741SS**  trans-91153.3168.8-72.4162117.100109.4K837K837-E839 WeakPolarHBondContact CE-OE2 3.38Å; K837-E839 IonicContact NZ-OE2 2.79Å; K837-E839 PolarHBondContact NZ-OE2 2.87Å
840R39.9Very low40.6Very low236 Ų236133 Ų13389%0.89172%0.719SS**  trans-132.3130.8177.3-101.2-174.9172.7149.3-0.6113
841D39.8Very low42Very low165 Ų165127 Ų12788%0.88270%0.697SS**  trans-68.7158166.9-163.22.1000111.1
842V41.2Very low43.5Very low104 Ų104121.3 Ų121.363%0.6368%0.681SS**  trans-133.3105.6-170.5-174.70000111.7N846V842-N846 WeakPolarHBondContact CG1-ND2 3.31Å
843G38.3Very low45Very low56 Ų56121 Ų12158%0.57767%0.667SS**  trans-75.9161.1-17500000116.5G845 N846G843-G845 VanDerWaalsContact C-N 3.29Å; G843-G845 PolarHBondContact O-N 3.17Å; G843-G845 VanDerWaalsContact O-N 3.13Å; G843-N846 PolarHBondContact O-N 3.04Å
844E50.6Low46.5Very low176 Ų176117 Ų11782%0.82266%0.659SS**THydrogen-bonded Turntrans-60.6-24.4-168-62.8176.5108.300115.7N846 L847 A848E844-N846 PolarHBondContact O-N 3.3Å; E844-N846 VanDerWaalsContact O-N 3.11Å; E844-L847 WeakPolarHBondContact O-CB 3.41Å; E844-L847 PolarHBondContact O-N 2.85Å; E844-A848 PolarHBondContact O-N 3.06Å
845G48.6Very low48Very low50 Ų50111 Ų11152%0.51565%0.645SS.*Hα-helixtrans-57.8-27.3179.200000114G843 T849G843-G845 VanDerWaalsContact C-N 3.29Å; G843-G845 PolarHBondContact O-N 3.17Å; G843-G845 VanDerWaalsContact O-N 3.13Å; G845-T849 PolarHBondContact O-N 3.23Å; G845-T849 PolarHBondContact O-OG1 3.16Å
846N50.6Low49.3Very low106 Ų106105.3 Ų105.357%0.56763%0.63SS**Hα-helixtrans-69.6-31.6174.2-71.7-19000112.6V842 G843 E844 T849 A850V842-N846 WeakPolarHBondContact CG1-ND2 3.31Å; G843-N846 PolarHBondContact O-N 3.04Å; E844-N846 PolarHBondContact O-N 3.3Å; E844-N846 VanDerWaalsContact O-N 3.11Å; N846-T849 PolarHBondContact O-N 3.43Å; N846-A850 VanDerWaalsContact O-CB 3.27Å; N846-A850 WeakPolarHBondContact O-CB 3.48Å; N846-A850 PolarHBondContact O-N 3.15Å
847L54.4Low50.8Low132 Ų132103.5 Ų103.569%0.69162%0.615SS**Hα-helixtrans-70.3-42.7179.6-176.161.3000111.3E844 A850 A851E844-L847 WeakPolarHBondContact O-CB 3.41Å; E844-L847 PolarHBondContact O-N 2.85Å; L847-A850 PolarHBondContact O-N 3.32Å; L847-A851 WeakPolarHBondContact O-CB 3.21Å; L847-A851 PolarHBondContact O-N 2.93Å
848A53.8Low52Low66 Ų6698.1 Ų98.155%0.54560%0.602SS.*Hα-helixtrans-62-43.2174.400000111.7E844 A851 A852E844-A848 PolarHBondContact O-N 3.06Å; A848-A851 PolarHBondContact O-N 3.14Å; A848-A852 WeakPolarHBondContact O-CB 3.17Å; A848-A852 PolarHBondContact O-N 2.7Å
849T56.8Low53.7Low90 Ų9094.8 Ų94.855%0.55259%0.589SS**Hα-helixtrans-66.1-39.6177.9-52.10000111.9G845 N846 S853G845-T849 PolarHBondContact O-N 3.23Å; G845-T849 PolarHBondContact O-OG1 3.16Å; N846-T849 PolarHBondContact O-N 3.43Å; T849-S853 WeakPolarHBondContact O-CB 3.19Å; T849-S853 PolarHBondContact O-N 2.94Å; T849-S853 PolarHBondContact O-OG 3.31Å
850A54.5Low55.4Low57 Ų5792.7 Ų92.747%0.47159%0.586SS.*Hα-helixtrans-66.3-42.5174.200000112.1N846 L847 S853 A854N846-A850 VanDerWaalsContact O-CB 3.27Å; N846-A850 WeakPolarHBondContact O-CB 3.48Å; N846-A850 PolarHBondContact O-N 3.15Å; L847-A850 PolarHBondContact O-N 3.32Å; A850-S853 PolarHBondContact O-N 2.98Å; A850-A854 WeakPolarHBondContact O-CB 3.4Å; A850-A854 PolarHBondContact O-N 3.36Å
851A55.2Low57Low49 Ų4988.6 Ų88.641%0.40557%0.574SS.*Hα-helixtrans-63.6-44.9176.300000112L847 A848 S853 A854 L855L847-A851 WeakPolarHBondContact O-CB 3.21Å; L847-A851 PolarHBondContact O-N 2.93Å; A848-A851 PolarHBondContact O-N 3.14Å; A851-S853 VanDerWaalsContact C-N 3.34Å; A851-S853 PolarHBondContact O-N 3.21Å; A851-A854 PolarHBondContact O-N 2.88Å; A851-L855 WeakPolarHBondContact O-CB 3.49Å; A851-L855 WeakPolarHBondContact O-CG 3.36Å; A851-L855 PolarHBondContact O-N 3.08Å
852A58.6Low58.9Low60 Ų6083.4 Ų83.450%0.49655%0.554SS.*Hα-helixtrans-60.4-42.5174.100000112A848 L855 A856A848-A852 WeakPolarHBondContact O-CB 3.17Å; A848-A852 PolarHBondContact O-N 2.7Å; A852-L855 PolarHBondContact O-N 2.68Å; A852-A856 WeakPolarHBondContact O-CB 3.22Å; A852-A856 PolarHBondContact O-N 2.96Å
853S59.8Low60.8Low73 Ų7386.5 Ų86.551%0.5156%0.559SS.*Hα-helixtrans-64.3-40.5176.5-58.20000112.2T849 A850 A851 A856 A857T849-S853 WeakPolarHBondContact O-CB 3.19Å; T849-S853 PolarHBondContact O-N 2.94Å; T849-S853 PolarHBondContact O-OG 3.31Å; A850-S853 PolarHBondContact O-N 2.98Å; A851-S853 VanDerWaalsContact C-N 3.34Å; A851-S853 PolarHBondContact O-N 3.21Å; S853-A856 PolarHBondContact O-N 3.48Å; S853-A857 WeakPolarHBondContact O-CB 3.38Å; S853-A857 PolarHBondContact O-N 2.95Å
854A61.1Low63Low62 Ų6289.5 Ų89.551%0.51256%0.558SS.*Hα-helixtrans-66.8-41.1176.100000112.3A850 A851 A857 A858A850-A854 WeakPolarHBondContact O-CB 3.4Å; A850-A854 PolarHBondContact O-N 3.36Å; A851-A854 PolarHBondContact O-N 2.88Å; A854-A857 PolarHBondContact O-N 2.91Å; A854-A858 WeakPolarHBondContact O-CB 3.19Å; A854-A858 PolarHBondContact O-N 3.43Å
855L64.8Low64.4Low125 Ų12586 Ų8665%0.65454%0.544SS*.Hα-helixtrans-65.5-41.1174.7-73.6169.2000112A851 A852 A858 A859A851-L855 WeakPolarHBondContact O-CB 3.49Å; A851-L855 WeakPolarHBondContact O-CG 3.36Å; A851-L855 PolarHBondContact O-N 3.08Å; A852-L855 PolarHBondContact O-N 2.68Å; L855-A858 PolarHBondContact O-N 3.24Å; L855-A859 WeakPolarHBondContact O-CB 3.44Å; L855-A859 PolarHBondContact O-N 3.22Å
856A63.8Low66.2Low54 Ų5486.6 Ų86.645%0.44654%0.544SS..Hα-helixtrans-62.3-45.7174.100000111.7A852 S853 A858 A859 V860A852-A856 WeakPolarHBondContact O-CB 3.22Å; A852-A856 PolarHBondContact O-N 2.96Å; S853-A856 PolarHBondContact O-N 3.48Å; A856-A858 VanDerWaalsContact C-N 3.34Å; A856-A858 PolarHBondContact O-N 3.48Å; A856-A859 PolarHBondContact O-N 2.96Å; A856-V860 WeakPolarHBondContact O-CG2 3.43Å; A856-V860 PolarHBondContact O-N 3.22Å
857A65.4Low67.8Low64 Ų6483.3 Ų83.353%0.52953%0.532SS..Hα-helixtrans-61.9-39.7175.200000112.4S853 A854 V860 K861S853-A857 WeakPolarHBondContact O-CB 3.38Å; S853-A857 PolarHBondContact O-N 2.95Å; A854-A857 PolarHBondContact O-N 2.91Å; A857-V860 PolarHBondContact O-N 3.05Å; A857-K861 WeakPolarHBondContact O-CB 3.49Å; A857-K861 PolarHBondContact O-N 3.13Å
858A62.8Low69.5Low56 Ų5679.6 Ų79.646%0.46352%0.515SS..Hα-helixtrans-64.6-42.7174.400000112.1A854 L855 A856 K861 A862A854-A858 WeakPolarHBondContact O-CB 3.19Å; A854-A858 PolarHBondContact O-N 3.43Å; L855-A858 PolarHBondContact O-N 3.24Å; A856-A858 VanDerWaalsContact C-N 3.34Å; A856-A858 PolarHBondContact O-N 3.48Å; A858-K861 PolarHBondContact O-N 3.32Å; A858-A862 WeakPolarHBondContact O-CB 3.37Å; A858-A862 PolarHBondContact O-N 2.94Å
859A69.6Low71.2Confident61 Ų6180.4 Ų80.450%0.50451%0.507SS..Hα-helixtrans-64.2-41176.700000112.4L855 A856 A862 K863L855-A859 WeakPolarHBondContact O-CB 3.44Å; L855-A859 PolarHBondContact O-N 3.22Å; A856-A859 PolarHBondContact O-N 2.96Å; A859-A862 PolarHBondContact O-N 3.15Å; A859-K863 WeakPolarHBondContact O-CB 3.28Å; A859-K863 PolarHBondContact O-N 3.14Å
860V73.5Confident72.8Confident105 Ų10580.9 Ų80.964%0.63650%0.503SS*.Hα-helixtrans-63.1-42.4173.3171.40000111.1A856 A857 K863 H864A856-V860 WeakPolarHBondContact O-CG2 3.43Å; A856-V860 PolarHBondContact O-N 3.22Å; A857-V860 PolarHBondContact O-N 3.05Å; V860-K863 PolarHBondContact O-N 3.03Å; V860-H864 PolarHBondContact O-N 3Å
861K73.3Confident74.5Confident149 Ų14985.4 Ų85.465%0.64851%0.508SS*.Hα-helixtrans-64.1-41.4175.9-167.5175.9-178.2-1780112A857 A858 H864 L865A857-K861 WeakPolarHBondContact O-CB 3.49Å; A857-K861 PolarHBondContact O-N 3.13Å; A858-K861 PolarHBondContact O-N 3.32Å; K861-H864 PolarHBondContact O-N 3.04Å; K861-L865 WeakPolarHBondContact O-CG 3.48Å; K861-L865 PolarHBondContact O-N 3Å
862A79.1Confident76.3Confident56 Ų5688.1 Ų88.146%0.46351%0.511SS..Hα-helixtrans-62.8-43.9174.300000112A858 A859 H864 L865 A866A858-A862 WeakPolarHBondContact O-CB 3.37Å; A858-A862 PolarHBondContact O-N 2.94Å; A859-A862 PolarHBondContact O-N 3.15Å; A862-H864 VanDerWaalsContact C-N 3.32Å; A862-H864 PolarHBondContact O-N 3.18Å; A862-L865 PolarHBondContact O-N 3.02Å; A862-A866 PolarHBondContact O-N 2.89Å
863K82.4Confident77.9Confident169 Ų16990 Ų9074%0.73551%0.512SS*.Hα-helixtrans-62.3-37175.1-171171.8-177.3173.90112.2A859 V860 A867A859-K863 WeakPolarHBondContact O-CB 3.28Å; A859-K863 PolarHBondContact O-N 3.14Å; V860-K863 PolarHBondContact O-N 3.03Å; K863-A867 WeakPolarHBondContact O-CB 3.36Å; K863-A867 PolarHBondContact O-N 2.84Å; K863-A867 VanDerWaalsContact O-N 3.08Å
864H84.1Confident79.5Confident119 Ų11992.6 Ų92.655%0.55151%0.514SS*.Hα-helixtrans-65.6-45.4173.4-172.694000112.1V860 K861 A862 A867 V868V860-H864 PolarHBondContact O-N 3Å; K861-H864 PolarHBondContact O-N 3.04Å; A862-H864 VanDerWaalsContact C-N 3.32Å; A862-H864 PolarHBondContact O-N 3.18Å; H864-A867 CarbonylContact O-C 3.56Å; H864-A867 PolarHBondContact O-N 2.77Å; H864-V868 WeakPolarHBondContact O-CG2 3.31Å; H864-V868 PolarHBondContact O-N 3.38Å
865L81Confident81Confident102 Ų10293.5 Ų93.553%0.53452%0.516SS..Hα-helixtrans-61.8-43.2177.3-70.9167.9000111.7K861 A862 A867 V868 E869K861-L865 WeakPolarHBondContact O-CG 3.48Å; K861-L865 PolarHBondContact O-N 3Å; A862-L865 PolarHBondContact O-N 3.02Å; L865-A867 VanDerWaalsContact C-N 3.34Å; L865-A867 PolarHBondContact O-N 2.95Å; L865-V868 WeakPolarHBondContact O-CB 3.49Å; L865-V868 PolarHBondContact O-N 3.39Å; L865-E869 PolarHBondContact O-N 3.49Å
866A85.1Confident82.3Confident63 Ų6392.5 Ų92.552%0.52151%0.511SS..Hα-helixtrans-57.4-45.6173.100000111.8A862 V868 E869 E870A862-A866 PolarHBondContact O-N 2.89Å; A866-V868 PolarHBondContact O-N 2.86Å; A866-E869 PolarHBondContact O-N 3.4Å; A866-E870 WeakPolarHBondContact O-CB 3.49Å; A866-E870 PolarHBondContact O-N 2.94Å
867A85.1Confident83.8Confident37 Ų3793.8 Ų93.831%0.30651%0.513SS..Hα-helixtrans-71-12.4176.400000114.2K863 H864 L865 R871K863-A867 WeakPolarHBondContact O-CB 3.36Å; K863-A867 PolarHBondContact O-N 2.84Å; K863-A867 VanDerWaalsContact O-N 3.08Å; H864-A867 CarbonylContact O-C 3.56Å; H864-A867 PolarHBondContact O-N 2.77Å; L865-A867 VanDerWaalsContact C-N 3.34Å; L865-A867 PolarHBondContact O-N 2.95Å; A867-R871 VanDerWaalsContact O-CZ 3.31Å; A867-R871 PolarHBondContact O-NE 3.17Å; A867-R871 PolarHBondContact O-NH2 3.06Å
868V89.1Confident85.1Confident54 Ų5493.7 Ų93.733%0.32751%0.512SS..Hα-helixtrans-84.3-47.8169.2168.70000110.1H864 L865 A866 E870 R871 K872H864-V868 WeakPolarHBondContact O-CG2 3.31Å; H864-V868 PolarHBondContact O-N 3.38Å; L865-V868 WeakPolarHBondContact O-CB 3.49Å; L865-V868 PolarHBondContact O-N 3.39Å; A866-V868 PolarHBondContact O-N 2.86Å; V868-E870 VanDerWaalsContact C-N 3.34Å; V868-E870 PolarHBondContact O-N 3.06Å; V868-R871 PolarHBondContact O-N 2.98Å; V868-K872 PolarHBondContact O-N 3.1Å
869E89.1Confident86.5Confident84 Ų8495.8 Ų95.839%0.39352%0.515SS..Hα-helixtrans-64.9-35.5176.2-73.8-59.1144.300112.3L865 A866 R871 K872 I873L865-E869 PolarHBondContact O-N 3.49Å; A866-E869 PolarHBondContact O-N 3.4Å; E869-R871 VanDerWaalsContact C-N 3.31Å; E869-R871 PolarHBondContact O-N 3.38Å; E869-K872 CarbonylContact O-C 3.56Å; E869-K872 WeakPolarHBondContact O-CB 3.22Å; E869-K872 PolarHBondContact O-N 3.18Å; E869-K872 VanDerWaalsContact O-N 3.1Å; E869-K872 IonicContact OE1-NZ 3.63Å; E869-K872 PolarHBondContact OE1-NZ 2.91Å; E869-K872 WeakPolarHBondContact OE2-CD 3.46Å; E869-K872 IonicContact OE2-NZ 3.94Å; E869-K872 PolarHBondContact OE2-NZ 3.29Å; E869-I873 WeakPolarHBondContact O-CB 3.33Å; E869-I873 VanDerWaalsContact O-CG1 3.26Å; E869-I873 WeakPolarHBondContact O-CG1 3.45Å; E869-I873 PolarHBondContact O-N 2.98Å
870E90.7Very high87.6Confident99 Ų9997.9 Ų97.946%0.46352%0.517SS..Hα-helixtrans-58.5-41.7173.6-166.6-16116400112.1A866 V868 K874A866-E870 WeakPolarHBondContact O-CB 3.49Å; A866-E870 PolarHBondContact O-N 2.94Å; V868-E870 VanDerWaalsContact C-N 3.34Å; V868-E870 PolarHBondContact O-N 3.06Å; E870-K874 WeakPolarHBondContact O-CB 3.43Å; E870-K874 VanDerWaalsContact O-CG 3.3Å; E870-K874 WeakPolarHBondContact O-CG 3.47Å; E870-K874 PolarHBondContact O-N 2.97Å; E870-K874 WeakPolarHBondContact OE1-CE 3.48Å; E870-K874 IonicContact OE1-NZ 3.2Å; E870-K874 PolarHBondContact OE1-NZ 3.42Å
871R91.8Very high88.7Confident152 Ų15296.6 Ų96.657%0.57451%0.51SS*.Hα-helixtrans-67.5-37.9174.5-83.8175.2-75.1157-1.2112.1A867 V868 E869 K874 S875A867-R871 VanDerWaalsContact O-CZ 3.31Å; A867-R871 PolarHBondContact O-NE 3.17Å; A867-R871 PolarHBondContact O-NH2 3.06Å; V868-R871 PolarHBondContact O-N 2.98Å; E869-R871 VanDerWaalsContact C-N 3.31Å; E869-R871 PolarHBondContact O-N 3.38Å; R871-K874 PolarHBondContact O-N 2.99Å; R871-S875 WeakPolarHBondContact O-CB 3.19Å; R871-S875 PolarHBondContact O-N 2.8Å
872K91.4Very high89.7Confident107 Ų10793.8 Ų93.847%0.46550%0.499SS..Hα-helixtrans-67.4-42.1177.4-176.1164.3151.7-1170111.7V868 E869 S875 L876V868-K872 PolarHBondContact O-N 3.1Å; E869-K872 CarbonylContact O-C 3.56Å; E869-K872 WeakPolarHBondContact O-CB 3.22Å; E869-K872 PolarHBondContact O-N 3.18Å; E869-K872 VanDerWaalsContact O-N 3.1Å; E869-K872 IonicContact OE1-NZ 3.63Å; E869-K872 PolarHBondContact OE1-NZ 2.91Å; E869-K872 WeakPolarHBondContact OE2-CD 3.46Å; E869-K872 IonicContact OE2-NZ 3.94Å; E869-K872 PolarHBondContact OE2-NZ 3.29Å; K872-S875 PolarHBondContact O-N 3.24Å; K872-L876 HydrophobicContact CG-CD1 4.29Å; K872-L876 WeakPolarHBondContact O-CB 3.42Å; K872-L876 WeakPolarHBondContact O-CG 3.16Å; K872-L876 PolarHBondContact O-N 3.11Å
873I92.6Very high90.3Very high100 Ų10094.7 Ų94.751%0.51350%0.499SS..Hα-helixtrans-61.3-48.6171.7-68.5164.3000110.5E869 S875 L876 V877E869-I873 WeakPolarHBondContact O-CB 3.33Å; E869-I873 VanDerWaalsContact O-CG1 3.26Å; E869-I873 WeakPolarHBondContact O-CG1 3.45Å; E869-I873 PolarHBondContact O-N 2.98Å; I873-S875 VanDerWaalsContact C-N 3.3Å; I873-S875 PolarHBondContact O-N 2.9Å; I873-L876 PolarHBondContact O-N 3.24Å; I873-V877 HydrophobicContact CG2-CG2 4.34Å; I873-V877 WeakPolarHBondContact O-CG2 3.35Å; I873-V877 PolarHBondContact O-N 2.97Å
874K93.4Very high90.9Very high126 Ų12690.1 Ų90.155%0.54848%0.48SS..Hα-helixtrans-58.6-40.4176.7-74.6173.5-174.9176.40112.5E870 R871 A878E870-K874 WeakPolarHBondContact O-CB 3.43Å; E870-K874 VanDerWaalsContact O-CG 3.3Å; E870-K874 WeakPolarHBondContact O-CG 3.47Å; E870-K874 PolarHBondContact O-N 2.97Å; E870-K874 WeakPolarHBondContact OE1-CE 3.48Å; E870-K874 IonicContact OE1-NZ 3.2Å; E870-K874 PolarHBondContact OE1-NZ 3.42Å; R871-K874 PolarHBondContact O-N 2.99Å; K874-A878 WeakPolarHBondContact O-CB 3.5Å; K874-A878 PolarHBondContact O-N 2.96Å
875S92.3Very high91.4Very high81 Ų8189.2 Ų89.257%0.56648%0.477SS*.Hα-helixtrans-64.4-45.7174.7-169.80000112.5R871 K872 I873 V877 A878 L879R871-S875 WeakPolarHBondContact O-CB 3.19Å; R871-S875 PolarHBondContact O-N 2.8Å; K872-S875 PolarHBondContact O-N 3.24Å; I873-S875 VanDerWaalsContact C-N 3.3Å; I873-S875 PolarHBondContact O-N 2.9Å; S875-V877 PolarHBondContact O-N 3.39Å; S875-A878 PolarHBondContact O-N 3.49Å; S875-L879 PolarHBondContact O-N 3.47Å
876L92.7Very high92.1Very high104 Ų10489.1 Ų89.155%0.54547%0.472SS..Hα-helixtrans-62.4-40.9176.3-78.4162.1000112.6K872 I873 L879 L880K872-L876 HydrophobicContact CG-CD1 4.29Å; K872-L876 WeakPolarHBondContact O-CB 3.42Å; K872-L876 WeakPolarHBondContact O-CG 3.16Å; K872-L876 PolarHBondContact O-N 3.11Å; I873-L876 PolarHBondContact O-N 3.24Å; L876-L879 PolarHBondContact O-N 2.9Å; L876-L880 VanDerWaalsContact O-CB 3.26Å; L876-L880 WeakPolarHBondContact O-CB 3.36Å; L876-L880 PolarHBondContact O-N 2.65Å
877V94.6Very high92.5Very high82 Ų8291.1 Ų91.150%0.49747%0.469SS..Hα-helixtrans-64.8-44175.7170.40000110.9I873 S875 L880 V881I873-V877 HydrophobicContact CG2-CG2 4.34Å; I873-V877 WeakPolarHBondContact O-CG2 3.35Å; I873-V877 PolarHBondContact O-N 2.97Å; S875-V877 PolarHBondContact O-N 3.39Å; V877-L880 PolarHBondContact O-N 3.01Å; V877-V881 WeakPolarHBondContact O-CG2 3.49Å; V877-V881 PolarHBondContact O-N 3.43Å
878A92.6Very high92.9Very high61 Ų6193.8 Ų93.850%0.50448%0.478SS..Hα-helixtrans-59.9-47.4176.200000112K874 S875 L880 V881 E882K874-A878 WeakPolarHBondContact O-CB 3.5Å; K874-A878 PolarHBondContact O-N 2.96Å; S875-A878 PolarHBondContact O-N 3.49Å; A878-L880 VanDerWaalsContact C-N 3.32Å; A878-L880 PolarHBondContact O-N 3.01Å; A878-V881 PolarHBondContact O-N 3.21Å; A878-E882 WeakPolarHBondContact O-CB 3.4Å; A878-E882 PolarHBondContact O-N 3Å
879L93.1Very high93.2Very high101 Ų10197.1 Ų97.153%0.52949%0.49SS..Hα-helixtrans-63.8-36.1177.5-166.475.5000112.3S875 L876 T883S875-L879 PolarHBondContact O-N 3.47Å; L876-L879 PolarHBondContact O-N 2.9Å; L879-T883 VanDerWaalsContact O-CB 3.32Å; L879-T883 WeakPolarHBondContact O-CB 3.5Å; L879-T883 PolarHBondContact O-N 3.2Å; L879-T883 PolarHBondContact O-OG1 3.4Å
880L93.3Very high93.3Very high104 Ų10497.9 Ų97.955%0.54550%0.496SS..Hα-helixtrans-67.8-42.3175.9-177.9146.2000111.8L876 V877 A878 T883 Q884L876-L880 VanDerWaalsContact O-CB 3.26Å; L876-L880 WeakPolarHBondContact O-CB 3.36Å; L876-L880 PolarHBondContact O-N 2.65Å; V877-L880 PolarHBondContact O-N 3.01Å; A878-L880 VanDerWaalsContact C-N 3.32Å; A878-L880 PolarHBondContact O-N 3.01Å; L880-T883 PolarHBondContact O-N 3.25Å; L880-Q884 HydrophobicContact CD2-CG 4.41Å; L880-Q884 WeakPolarHBondContact O-CG 3.48Å; L880-Q884 PolarHBondContact O-N 2.86Å
881V96.1Very high93.5Very high79 Ų7999 Ų9948%0.47950%0.499SS..Hα-helixtrans-63.3-47.5174.3170.70000110.6V877 A878 T883 Q884 M885V877-V881 WeakPolarHBondContact O-CG2 3.49Å; V877-V881 PolarHBondContact O-N 3.43Å; A878-V881 PolarHBondContact O-N 3.21Å; V881-T883 PolarHBondContact O-N 3.07Å; V881-Q884 PolarHBondContact O-N 3.28Å; V881-Q884 VanDerWaalsContact O-N 3.15Å; V881-M885 WeakPolarHBondContact O-CG 3.27Å; V881-M885 PolarHBondContact O-N 3.28Å
882E93.8Very high93.7Very high90 Ų9096.8 Ų96.842%0.42150%0.498SS..Hα-helixtrans-56.1-40.1174.5-170.2-171.4167.300111.6A878 M885 K886A878-E882 WeakPolarHBondContact O-CB 3.4Å; A878-E882 PolarHBondContact O-N 3Å; E882-M885 PolarHBondContact O-N 3.46Å; E882-K886 HydrophobicContact CG-CD 4.46Å; E882-K886 WeakPolarHBondContact O-CG 3.3Å; E882-K886 PolarHBondContact O-N 2.84Å; E882-K886 VanDerWaalsContact OE1-CE 3.25Å; E882-K886 WeakPolarHBondContact OE1-CE 3.43Å; E882-K886 IonicContact OE1-NZ 2.7Å; E882-K886 PolarHBondContact OE1-NZ 2.87Å
883T92.8Very high93.8Very high75 Ų75100.1 Ų100.146%0.4651%0.508SS..Hα-helixtrans-69.1-39.2177.5-580000112.5L879 L880 V881 K887L879-T883 VanDerWaalsContact O-CB 3.32Å; L879-T883 WeakPolarHBondContact O-CB 3.5Å; L879-T883 PolarHBondContact O-N 3.2Å; L879-T883 PolarHBondContact O-OG1 3.4Å; L880-T883 PolarHBondContact O-N 3.25Å; V881-T883 PolarHBondContact O-N 3.07Å; T883-K887 VanDerWaalsContact O-CB 3.27Å; T883-K887 WeakPolarHBondContact O-CB 3.44Å; T883-K887 PolarHBondContact O-N 3.09Å
884Q94.9Very high93.8Very high73 Ų73101.2 Ų101.234%0.34151%0.51SS..Hα-helixtrans-69-35.1173.4-62.8-44.2-56.700112L880 V881 K887 L888L880-Q884 HydrophobicContact CD2-CG 4.41Å; L880-Q884 WeakPolarHBondContact O-CG 3.48Å; L880-Q884 PolarHBondContact O-N 2.86Å; V881-Q884 PolarHBondContact O-N 3.28Å; V881-Q884 VanDerWaalsContact O-N 3.15Å; Q884-K887 PolarHBondContact O-N 3.39Å; Q884-L888 PolarHBondContact O-N 3.17Å
885M94.6Very high93.9Very high100 Ų100102.1 Ų102.149%0.49351%0.514SS..Hα-helixtrans-62.1-52.8173.5-70.6-68.199.200111.3V881 E882 K887 L888 E889V881-M885 WeakPolarHBondContact O-CG 3.27Å; V881-M885 PolarHBondContact O-N 3.28Å; E882-M885 PolarHBondContact O-N 3.46Å; M885-K887 PolarHBondContact O-N 3.18Å; M885-L888 HydrophobicContact CE-CD2 4.31Å; M885-L888 WeakPolarHBondContact O-CA 3.49Å; M885-L888 WeakPolarHBondContact O-CB 3.17Å; M885-L888 PolarHBondContact O-N 2.7Å; M885-E889 WeakPolarHBondContact O-CG 3.35Å; M885-E889 PolarHBondContact O-N 3.31Å
886K94.8Very high94Very high100 Ų100103.6 Ų103.644%0.43551%0.512SS..Hα-helixtrans-57.5-35.5175.7-71.7174-175.9171.70112.8E882 E889 I890E882-K886 HydrophobicContact CG-CD 4.46Å; E882-K886 WeakPolarHBondContact O-CG 3.3Å; E882-K886 PolarHBondContact O-N 2.84Å; E882-K886 VanDerWaalsContact OE1-CE 3.25Å; E882-K886 WeakPolarHBondContact OE1-CE 3.43Å; E882-K886 IonicContact OE1-NZ 2.7Å; E882-K886 PolarHBondContact OE1-NZ 2.87Å; K886-E889 PolarHBondContact O-N 3.41Å; K886-I890 WeakPolarHBondContact O-CB 3.33Å; K886-I890 WeakPolarHBondContact O-CD1 3.21Å; K886-I890 VanDerWaalsContact O-CG1 3.23Å; K886-I890 WeakPolarHBondContact O-CG1 3.46Å; K886-I890 PolarHBondContact O-N 3.48Å
887K93.3Very high94.1Very high105 Ų105104.3 Ų104.346%0.45751%0.513SS..Hα-helixtrans-68.8-31.1174.1173.9179.7159.2-160.80113T883 Q884 M885 K891T883-K887 VanDerWaalsContact O-CB 3.27Å; T883-K887 WeakPolarHBondContact O-CB 3.44Å; T883-K887 PolarHBondContact O-N 3.09Å; Q884-K887 PolarHBondContact O-N 3.39Å; M885-K887 PolarHBondContact O-N 3.18Å; K887-K891 WeakPolarHBondContact O-CB 3.2Å; K887-K891 WeakPolarHBondContact O-CG 3.43Å; K887-K891 PolarHBondContact O-N 2.92Å
888L95Very high94.1Very high93 Ų93105.7 Ų105.749%0.48752%0.517SS..Hα-helixtrans-72.3-46.8170.2-106.768.7000111.3Q884 M885 I890 K891 L892Q884-L888 PolarHBondContact O-N 3.17Å; M885-L888 HydrophobicContact CE-CD2 4.31Å; M885-L888 WeakPolarHBondContact O-CA 3.49Å; M885-L888 WeakPolarHBondContact O-CB 3.17Å; M885-L888 PolarHBondContact O-N 2.7Å; L888-I890 PolarHBondContact O-N 3.28Å; L888-K891 WeakPolarHBondContact O-CB 3.32Å; L888-K891 PolarHBondContact O-N 3.06Å; L888-K891 VanDerWaalsContact O-N 3.15Å; L888-L892 PolarHBondContact O-N 2.77Å
889E94.1Very high94.2Very high124 Ų124108.5 Ų108.558%0.57952%0.52SS*.Hα-helixtrans-56.9-48.2177-68.6173.6167.700112M885 K886 K891 L892 R893M885-E889 WeakPolarHBondContact O-CG 3.35Å; M885-E889 PolarHBondContact O-N 3.31Å; K886-E889 PolarHBondContact O-N 3.41Å; E889-K891 VanDerWaalsContact C-N 3.28Å; E889-K891 PolarHBondContact O-N 3.34Å; E889-L892 PolarHBondContact O-N 3.43Å; E889-R893 WeakPolarHBondContact O-CB 3.31Å; E889-R893 PolarHBondContact O-N 2.97Å
890I92.5Very high94.3Very high100 Ų100106.7 Ų106.751%0.51351%0.513SS..Hα-helixtrans-63-35.7178-70.5167000111.4K886 L888 H894K886-I890 WeakPolarHBondContact O-CB 3.33Å; K886-I890 WeakPolarHBondContact O-CD1 3.21Å; K886-I890 VanDerWaalsContact O-CG1 3.23Å; K886-I890 WeakPolarHBondContact O-CG1 3.46Å; K886-I890 PolarHBondContact O-N 3.48Å; L888-I890 PolarHBondContact O-N 3.28Å; I890-H894 PolarHBondContact O-N 3.01Å; I890-H894 VanDerWaalsContact O-N 3.1Å; I890-H894 PolarHBondContact O-ND1 2.68Å
891K94.9Very high94.4Very high123 Ų123104.9 Ų104.954%0.53550%0.503SS..Hα-helixtrans-68.8-47.4175.3-83.9-175169.3-158.30112.3K887 L888 E889 R893 H894 F895K887-K891 WeakPolarHBondContact O-CB 3.2Å; K887-K891 WeakPolarHBondContact O-CG 3.43Å; K887-K891 PolarHBondContact O-N 2.92Å; L888-K891 WeakPolarHBondContact O-CB 3.32Å; L888-K891 PolarHBondContact O-N 3.06Å; L888-K891 VanDerWaalsContact O-N 3.15Å; E889-K891 VanDerWaalsContact C-N 3.28Å; E889-K891 PolarHBondContact O-N 3.34Å; K891-R893 VanDerWaalsContact C-N 3.31Å; K891-R893 PolarHBondContact O-N 3.31Å; K891-H894 PolarHBondContact O-N 2.88Å; K891-F895 VanDerWaalsContact O-CD2 3.23Å; K891-F895 WeakPolarHBondContact O-CD2 3.44Å; K891-F895 PolarHBondContact O-N 3.38Å
892L94.4Very high94.3Very high104 Ų104106.2 Ų106.255%0.54551%0.506SS..Hα-helixtrans-57.1-47.3175.9-78.8167.1000110.5L888 E889 H894 F895 E896L888-L892 PolarHBondContact O-N 2.77Å; E889-L892 PolarHBondContact O-N 3.43Å; L892-H894 VanDerWaalsContact C-N 3.3Å; L892-H894 PolarHBondContact O-N 3.11Å; L892-F895 WeakPolarHBondContact O-CA 3.34Å; L892-F895 WeakPolarHBondContact O-CB 3.26Å; L892-F895 PolarHBondContact O-N 2.99Å; L892-E896 WeakPolarHBondContact O-CG 3.45Å; L892-E896 PolarHBondContact O-N 2.86Å
893R94.1Very high94.3Very high178 Ų178105.2 Ų105.267%0.67250%0.503SS*.Hα-helixtrans-59.9-36176.9-165.9179.6-122.8154.92.7113.5E889 K891 E897E889-R893 WeakPolarHBondContact O-CB 3.31Å; E889-R893 PolarHBondContact O-N 2.97Å; K891-R893 VanDerWaalsContact C-N 3.31Å; K891-R893 PolarHBondContact O-N 3.31Å; R893-E897 WeakPolarHBondContact O-CB 3.41Å; R893-E897 PolarHBondContact O-N 3.09Å
894H92.6Very high94.4Very high123 Ų123109.1 Ų109.157%0.56951%0.509SS*.Hα-helixtrans-67.3-36.9172.4-85.469.3000112.4I890 K891 L892 L898I890-H894 PolarHBondContact O-N 3.01Å; I890-H894 VanDerWaalsContact O-N 3.1Å; I890-H894 PolarHBondContact O-ND1 2.68Å; K891-H894 PolarHBondContact O-N 2.88Å; L892-H894 VanDerWaalsContact C-N 3.3Å; L892-H894 PolarHBondContact O-N 3.11Å; H894-L898 VanDerWaalsContact O-CB 3.26Å; H894-L898 WeakPolarHBondContact O-CB 3.45Å; H894-L898 PolarHBondContact O-N 3.11Å
895F95.1Very high94.4Very high144 Ų144111.6 Ų111.663%0.63252%0.521SS*.Hα-helixtrans-68-44.3174.1-78.2-68.6000111.8K891 L892 E897 L898 E899K891-F895 VanDerWaalsContact O-CD2 3.23Å; K891-F895 WeakPolarHBondContact O-CD2 3.44Å; K891-F895 PolarHBondContact O-N 3.38Å; L892-F895 WeakPolarHBondContact O-CA 3.34Å; L892-F895 WeakPolarHBondContact O-CB 3.26Å; L892-F895 PolarHBondContact O-N 2.99Å; F895-E897 VanDerWaalsContact C-N 3.34Å; F895-E897 PolarHBondContact O-N 3.16Å; F895-L898 PolarHBondContact O-N 3.32Å; F895-E899 WeakPolarHBondContact O-CB 3.45Å; F895-E899 PolarHBondContact O-N 2.78Å
896E95.5Very high94.4Very high112 Ų112115 Ų11552%0.52353%0.528SS..Hα-helixtrans-58.2-43.1174.9-69167.7-179.400112.1L892 T900L892-E896 WeakPolarHBondContact O-CG 3.45Å; L892-E896 PolarHBondContact O-N 2.86Å; E896-T900 VanDerWaalsContact O-CB 3.27Å; E896-T900 WeakPolarHBondContact O-CB 3.34Å; E896-T900 PolarHBondContact O-N 2.66Å; E896-T900 PolarHBondContact O-OG1 3.24Å
897E94.8Very high94.4Very high119 Ų119117.1 Ų117.156%0.55654%0.54SS*.Hα-helixtrans-67-41.9176.2-177.3165.5-157.700111.8R893 F895 T900 I901R893-E897 WeakPolarHBondContact O-CB 3.41Å; R893-E897 PolarHBondContact O-N 3.09Å; F895-E897 VanDerWaalsContact C-N 3.34Å; F895-E897 PolarHBondContact O-N 3.16Å; E897-T900 WeakPolarHBondContact O-CB 3.42Å; E897-T900 PolarHBondContact O-N 2.89Å; E897-I901 HydrophobicContact CG-CD1 4.07Å; E897-I901 VanDerWaalsContact O-CG1 3.29Å; E897-I901 WeakPolarHBondContact O-CG1 3.47Å; E897-I901 PolarHBondContact O-N 2.71Å
898L94.8Very high94.4Very high112 Ų112114.4 Ų114.459%0.58654%0.537SS*.Hα-helixtrans-68.5-39.3179.3-162.772.1000112.4H894 F895 I901 M902H894-L898 VanDerWaalsContact O-CB 3.26Å; H894-L898 WeakPolarHBondContact O-CB 3.45Å; H894-L898 PolarHBondContact O-N 3.11Å; F895-L898 PolarHBondContact O-N 3.32Å; L898-I901 PolarHBondContact O-N 3.3Å; L898-M902 WeakPolarHBondContact O-CB 3.23Å; L898-M902 PolarHBondContact O-N 2.9Å
899E94.3Very high94.3Very high120 Ų120115.2 Ų115.256%0.56154%0.541SS*.Hα-helixtrans-62.4-45.3171.8-177.4171-147.100110.8F895 I901 M902 D903F895-E899 WeakPolarHBondContact O-CB 3.45Å; F895-E899 PolarHBondContact O-N 2.78Å; E899-I901 VanDerWaalsContact C-N 3.28Å; E899-I901 PolarHBondContact O-N 3.38Å; E899-M902 HydrophobicContact CG-CE 4.45Å; E899-M902 PolarHBondContact O-N 2.99Å; E899-D903 PolarHBondContact O-N 3.38Å
900T95.4Very high94.4Very high63 Ų63112.8 Ų112.839%0.38753%0.529SS..Hα-helixtrans-61.3-33.5175.5-60.40000112.8E896 E897 R904E896-T900 VanDerWaalsContact O-CB 3.27Å; E896-T900 WeakPolarHBondContact O-CB 3.34Å; E896-T900 PolarHBondContact O-N 2.66Å; E896-T900 PolarHBondContact O-OG1 3.24Å; E897-T900 WeakPolarHBondContact O-CB 3.42Å; E897-T900 PolarHBondContact O-N 2.89Å; T900-R904 VanDerWaalsContact CG2-CZ 3.48Å; T900-R904 WeakPolarHBondContact O-CD 3.46Å; T900-R904 VanDerWaalsContact O-CG 3.27Å; T900-R904 WeakPolarHBondContact O-CG 3.22Å; T900-R904 PolarHBondContact O-N 2.84Å
901I94.2Very high94.5Very high66 Ų66115.6 Ų115.634%0.33854%0.535SS..Hα-helixtrans-73.3-47.2174.3-69.5162.5000110.3E897 L898 E899 D903 R904 E905E897-I901 HydrophobicContact CG-CD1 4.07Å; E897-I901 VanDerWaalsContact O-CG1 3.29Å; E897-I901 WeakPolarHBondContact O-CG1 3.47Å; E897-I901 PolarHBondContact O-N 2.71Å; L898-I901 PolarHBondContact O-N 3.3Å; E899-I901 VanDerWaalsContact C-N 3.28Å; E899-I901 PolarHBondContact O-N 3.38Å; I901-D903 PolarHBondContact O-N 2.8Å; I901-R904 WeakPolarHBondContact O-CB 3.4Å; I901-R904 PolarHBondContact O-N 3.03Å; I901-R904 VanDerWaalsContact O-N 3.17Å; I901-E905 PolarHBondContact O-N 2.82Å
902M94.8Very high94.4Very high107 Ų107115.8 Ų115.853%0.52754%0.538SS..Hα-helixtrans-57.3-45.4179.1-179.7-171.866.400112.4L898 E899 R904 E905 R906L898-M902 WeakPolarHBondContact O-CB 3.23Å; L898-M902 PolarHBondContact O-N 2.9Å; E899-M902 HydrophobicContact CG-CE 4.45Å; E899-M902 PolarHBondContact O-N 2.99Å; M902-R904 VanDerWaalsContact C-N 3.35Å; M902-R904 PolarHBondContact O-N 3.15Å; M902-E905 PolarHBondContact O-N 3.01Å; M902-R906 WeakPolarHBondContact O-CB 3.16Å; M902-R906 PolarHBondContact O-N 2.67Å
903D94.6Very high94.4Very high69 Ų69118.9 Ų118.937%0.36954%0.542SS..Hα-helixtrans-69.6-30.6179.1-95.5-21.3000112.5E899 I901 R906 E907E899-D903 PolarHBondContact O-N 3.38Å; I901-D903 PolarHBondContact O-N 2.8Å; D903-R906 PolarHBondContact O-N 3.24Å; D903-R906 WeakPolarHBondContact OD1-CD 3.48Å; D903-R906 IonicContact OD1-NH1 2.65Å; D903-R906 PolarHBondContact OD1-NH1 2.94Å; D903-E907 WeakPolarHBondContact O-CB 3.49Å; D903-E907 PolarHBondContact O-N 2.74Å
904R94.3Very high94.5Very high156 Ų156115.5 Ų115.559%0.58953%0.534SS*.Hα-helixtrans-67.6-41.4170.8-73.6171.2-174.6152.45.1112.4T900 I901 M902 R906 E907 A908T900-R904 VanDerWaalsContact CG2-CZ 3.48Å; T900-R904 WeakPolarHBondContact O-CD 3.46Å; T900-R904 VanDerWaalsContact O-CG 3.27Å; T900-R904 WeakPolarHBondContact O-CG 3.22Å; T900-R904 PolarHBondContact O-N 2.84Å; I901-R904 WeakPolarHBondContact O-CB 3.4Å; I901-R904 PolarHBondContact O-N 3.03Å; I901-R904 VanDerWaalsContact O-N 3.17Å; M902-R904 VanDerWaalsContact C-N 3.35Å; M902-R904 PolarHBondContact O-N 3.15Å; R904-R906 VanDerWaalsContact C-N 3.31Å; R904-E907 PolarHBondContact O-N 2.98Å; R904-A908 VanDerWaalsContact O-CB 3.29Å; R904-A908 WeakPolarHBondContact O-CB 3.46Å; R904-A908 PolarHBondContact O-N 3.27Å
905E94.8Very high94.6Very high126 Ų126113.5 Ų113.559%0.58953%0.525SS*.Hα-helixtrans-63.6-40.5174.9-71.2-171.7165.300111I901 M902 A908 L909I901-E905 PolarHBondContact O-N 2.82Å; M902-E905 PolarHBondContact O-N 3.01Å; E905-A908 PolarHBondContact O-N 3.42Å; E905-L909 WeakPolarHBondContact O-CB 3.05Å; E905-L909 VanDerWaalsContact O-CG 3.29Å; E905-L909 WeakPolarHBondContact O-CG 3.45Å; E905-L909 PolarHBondContact O-N 3.27Å
906R94.7Very high94.5Very high171 Ų171112.6 Ų112.665%0.64553%0.526SS*.Hα-helixtrans-63.5-45.4174.8-178.2-174.5177.4-163.41.9112.7M902 D903 R904 L909 E910M902-R906 WeakPolarHBondContact O-CB 3.16Å; M902-R906 PolarHBondContact O-N 2.67Å; D903-R906 PolarHBondContact O-N 3.24Å; D903-R906 WeakPolarHBondContact OD1-CD 3.48Å; D903-R906 IonicContact OD1-NH1 2.65Å; D903-R906 PolarHBondContact OD1-NH1 2.94Å; R904-R906 VanDerWaalsContact C-N 3.31Å; R906-L909 PolarHBondContact O-N 3.46Å; R906-E910 PolarHBondContact O-N 2.88Å
907E94.8Very high94.5Very high145 Ų145111.9 Ų111.968%0.67853%0.525SS*.Hα-helixtrans-62.2-45.4174.8-175.1178.5-160.400110.9D903 R904 L909 E910 Y911D903-E907 WeakPolarHBondContact O-CB 3.49Å; D903-E907 PolarHBondContact O-N 2.74Å; R904-E907 PolarHBondContact O-N 2.98Å; E907-L909 PolarHBondContact O-N 3.36Å; E907-E910 PolarHBondContact O-N 3.04Å; E907-Y911 WeakPolarHBondContact O-CB 3.18Å; E907-Y911 PolarHBondContact O-N 3.19Å
908A92.3Very high94.5Very high47 Ų47108.4 Ų108.439%0.38852%0.516SS..Hα-helixtrans-62.6-39.9177.700000112.8R904 E905 Y911 Q912R904-A908 VanDerWaalsContact O-CB 3.29Å; R904-A908 WeakPolarHBondContact O-CB 3.46Å; R904-A908 PolarHBondContact O-N 3.27Å; E905-A908 PolarHBondContact O-N 3.42Å; A908-Y911 PolarHBondContact O-N 2.97Å; A908-Q912 WeakPolarHBondContact O-CB 3.32Å; A908-Q912 VanDerWaalsContact O-CG 3.3Å; A908-Q912 WeakPolarHBondContact O-CG 3.34Å; A908-Q912 PolarHBondContact O-N 2.98Å
909L94.6Very high94.5Very high110 Ų110106.8 Ų106.858%0.57651%0.509SS*.Hα-helixtrans-66.7-42.5175.9-77.9168.8000112.4E905 R906 E907 Q912 R913E905-L909 WeakPolarHBondContact O-CB 3.05Å; E905-L909 VanDerWaalsContact O-CG 3.29Å; E905-L909 WeakPolarHBondContact O-CG 3.45Å; E905-L909 PolarHBondContact O-N 3.27Å; R906-L909 PolarHBondContact O-N 3.46Å; E907-L909 PolarHBondContact O-N 3.36Å; L909-Q912 PolarHBondContact O-N 2.81Å; L909-R913 WeakPolarHBondContact O-CB 3.42Å; L909-R913 PolarHBondContact O-N 3.21Å
910E94.4Very high94.4Very high73 Ų73110.2 Ų110.234%0.34152%0.516SS..Hα-helixtrans-70.3-34.1177-174.753.9-139.300111.3R906 E907 R913 Q914R906-E910 PolarHBondContact O-N 2.88Å; E907-E910 PolarHBondContact O-N 3.04Å; E910-R913 WeakPolarHBondContact O-CB 3.17Å; E910-R913 PolarHBondContact O-N 3.28Å; E910-R913 IonicContact OE1-NH1 3.27Å; E910-R913 WeakPolarHBondContact OE2-CD 3.05Å; E910-R913 IonicContact OE2-CZ 2.75Å; E910-R913 IonicContact OE2-NE 2.6Å; E910-R913 IonicContact OE2-NH1 3.16Å; E910-R913 PolarHBondContact OE2-NH1 3.36Å; E910-Q914 WeakPolarHBondContact O-CG 3.39Å; E910-Q914 PolarHBondContact O-N 3.02Å; E910-Q914 PolarHBondContact OE1-NE2 3.06Å
911Y94.8Very high94.3Very high159 Ų159113.1 Ų113.162%0.62453%0.525SS*.Hα-helixtrans-63.2-46.5170.1-173.1-94.5000112.2E907 A908 R913 Q914 Q915E907-Y911 WeakPolarHBondContact O-CB 3.18Å; E907-Y911 PolarHBondContact O-N 3.19Å; A908-Y911 PolarHBondContact O-N 2.97Å; Y911-R913 VanDerWaalsContact C-N 3.29Å; Y911-R913 PolarHBondContact O-N 2.81Å; Y911-Q914 PolarHBondContact O-N 3.5Å; Y911-Q915 WeakPolarHBondContact O-CB 3.42Å; Y911-Q915 PolarHBondContact O-N 3.41Å
912Q93.9Very high94.2Very high127 Ų127113.1 Ų113.159%0.59353%0.531SS*.Hα-helixtrans-59.9-38.8174.3-75.617716.800112.1A908 L909 Q915 L916A908-Q912 WeakPolarHBondContact O-CB 3.32Å; A908-Q912 VanDerWaalsContact O-CG 3.3Å; A908-Q912 WeakPolarHBondContact O-CG 3.34Å; A908-Q912 PolarHBondContact O-N 2.98Å; L909-Q912 PolarHBondContact O-N 2.81Å; Q912-Q915 PolarHBondContact O-N 3.14Å; Q912-L916 WeakPolarHBondContact O-CB 3.31Å; Q912-L916 PolarHBondContact O-N 2.59Å
913R94.7Very high94.1Very high169 Ų169113.9 Ų113.964%0.63853%0.532SS*.Hα-helixtrans-64.7-42.1175.9-173-165.8-170.3-176.52.7112.1L909 E910 Y911 L917L909-R913 WeakPolarHBondContact O-CB 3.42Å; L909-R913 PolarHBondContact O-N 3.21Å; E910-R913 WeakPolarHBondContact O-CB 3.17Å; E910-R913 PolarHBondContact O-N 3.28Å; E910-R913 IonicContact OE1-NH1 3.27Å; E910-R913 WeakPolarHBondContact OE2-CD 3.05Å; E910-R913 IonicContact OE2-CZ 2.75Å; E910-R913 IonicContact OE2-NE 2.6Å; E910-R913 IonicContact OE2-NH1 3.16Å; E910-R913 PolarHBondContact OE2-NH1 3.36Å; Y911-R913 VanDerWaalsContact C-N 3.29Å; Y911-R913 PolarHBondContact O-N 2.81Å; R913-L917 WeakPolarHBondContact O-CB 3.49Å; R913-L917 PolarHBondContact O-N 2.93Å
914Q94.5Very high94.1Very high108 Ų108116 Ų11651%0.50554%0.539SS..Hα-helixtrans-68.1-40.9176.1-72.3174.427.600111.7E910 Y911 L917 A918E910-Q914 WeakPolarHBondContact O-CG 3.39Å; E910-Q914 PolarHBondContact O-N 3.02Å; E910-Q914 PolarHBondContact OE1-NE2 3.06Å; Y911-Q914 PolarHBondContact O-N 3.5Å; Q914-L917 WeakPolarHBondContact O-CB 3.24Å; Q914-L917 PolarHBondContact O-N 3.12Å; Q914-A918 WeakPolarHBondContact O-CB 3.33Å; Q914-A918 PolarHBondContact O-N 3.04Å
915Q94.6Very high93.9Very high81 Ų81114.7 Ų114.738%0.37954%0.541SS..Hα-helixtrans-60.8-47.9173.5-175.757.946.500111.3Y911 Q912 L917 A918 D919Y911-Q915 WeakPolarHBondContact O-CB 3.42Å; Y911-Q915 PolarHBondContact O-N 3.41Å; Q912-Q915 PolarHBondContact O-N 3.14Å; Q915-L917 VanDerWaalsContact C-N 3.26Å; Q915-L917 PolarHBondContact O-N 3.16Å; Q915-A918 WeakPolarHBondContact O-CB 3.48Å; Q915-A918 PolarHBondContact O-N 2.99Å; Q915-A918 VanDerWaalsContact O-N 3.1Å; Q915-D919 PolarHBondContact NE2-OD1 3.46Å; Q915-D919 PolarHBondContact NE2-OD2 2.92Å; Q915-D919 WeakPolarHBondContact O-CB 3.48Å; Q915-D919 PolarHBondContact O-N 2.88Å
916L94.5Very high93.8Very high124 Ų124115.1 Ų115.165%0.64954%0.543SS*.Hα-helixtrans-60.8-34.2176.1-17962.5000112.6Q912 R920Q912-L916 WeakPolarHBondContact O-CB 3.31Å; Q912-L916 PolarHBondContact O-N 2.59Å; L916-R920 VanDerWaalsContact O-CB 3.27Å; L916-R920 WeakPolarHBondContact O-CB 3.35Å; L916-R920 PolarHBondContact O-N 2.92Å
917L95.2Very high93.4Very high98 Ų98111.8 Ų111.851%0.51354%0.535SS..Hα-helixtrans-69.4-42.4173.9-175.464000111.5R913 Q914 Q915 R920 Q921R913-L917 WeakPolarHBondContact O-CB 3.49Å; R913-L917 PolarHBondContact O-N 2.93Å; Q914-L917 WeakPolarHBondContact O-CB 3.24Å; Q914-L917 PolarHBondContact O-N 3.12Å; Q915-L917 VanDerWaalsContact C-N 3.26Å; Q915-L917 PolarHBondContact O-N 3.16Å; L917-R920 PolarHBondContact O-N 3.37Å; L917-Q921 WeakPolarHBondContact O-CG 3.37Å; L917-Q921 PolarHBondContact O-N 3.11Å
918A94.4Very high93.2Very high45 Ų45109.4 Ų109.437%0.37253%0.527SS..Hα-helixtrans-64.8-43.3176.400000111.9Q914 Q915 R920 Q921 S922Q914-A918 WeakPolarHBondContact O-CB 3.33Å; Q914-A918 PolarHBondContact O-N 3.04Å; Q915-A918 WeakPolarHBondContact O-CB 3.48Å; Q915-A918 PolarHBondContact O-N 2.99Å; Q915-A918 VanDerWaalsContact O-N 3.1Å; A918-R920 VanDerWaalsContact C-N 3.33Å; A918-R920 PolarHBondContact O-N 3.32Å; A918-Q921 PolarHBondContact O-N 3.48Å; A918-Q921 VanDerWaalsContact O-N 3.17Å; A918-S922 PolarHBondContact O-N 2.95Å; A918-S922 PolarHBondContact O-OG 3.33Å
919D94.3Very high93.1Very high79 Ų79113.9 Ų113.942%0.42254%0.537SS..Hα-helixtrans-65-36.7175.9-69-29000111.8Q915 S922 F923Q915-D919 PolarHBondContact NE2-OD1 3.46Å; Q915-D919 PolarHBondContact NE2-OD2 2.92Å; Q915-D919 WeakPolarHBondContact O-CB 3.48Å; Q915-D919 PolarHBondContact O-N 2.88Å; D919-S922 WeakPolarHBondContact CA-OG 3.49Å; D919-S922 PolarHBondContact O-OG 2.94Å; D919-F923 WeakPolarHBondContact O-CB 3.36Å; D919-F923 PolarHBondContact O-N 3.25Å
920R93.4Very high92.8Very high191 Ų191115 Ų11572%0.72154%0.535SS*.Hα-helixtrans-67.8-35.4172.9-171175.2-178.5-177.60.8112.3L916 L917 A918 H924L916-R920 VanDerWaalsContact O-CB 3.27Å; L916-R920 WeakPolarHBondContact O-CB 3.35Å; L916-R920 PolarHBondContact O-N 2.92Å; L917-R920 PolarHBondContact O-N 3.37Å; A918-R920 VanDerWaalsContact C-N 3.33Å; A918-R920 PolarHBondContact O-N 3.32Å; R920-H924 WeakPolarHBondContact O-CB 3.43Å; R920-H924 PolarHBondContact O-N 3.42Å
921Q92.6Very high92.4Very high124 Ų124114.1 Ų114.158%0.57954%0.54SS*.Hα-helixtrans-71-43.7174.5-73.8178.116.600112L917 A918 H924 M925L917-Q921 WeakPolarHBondContact O-CG 3.37Å; L917-Q921 PolarHBondContact O-N 3.11Å; A918-Q921 PolarHBondContact O-N 3.48Å; A918-Q921 VanDerWaalsContact O-N 3.17Å; Q921-H924 PolarHBondContact O-N 3.14Å; Q921-M925 WeakPolarHBondContact O-CB 3.36Å; Q921-M925 PolarHBondContact O-N 3.14Å
922S92Very high92.1Very high66 Ų66111.1 Ų111.146%0.46253%0.532SS..Hα-helixtrans-65.8-43.5179.269.40000111.4A918 D919 H924 M925 E926A918-S922 PolarHBondContact O-N 2.95Å; A918-S922 PolarHBondContact O-OG 3.33Å; D919-S922 WeakPolarHBondContact CA-OG 3.49Å; D919-S922 PolarHBondContact O-OG 2.94Å; S922-H924 VanDerWaalsContact C-N 3.34Å; S922-H924 PolarHBondContact O-N 2.85Å; S922-M925 WeakPolarHBondContact O-CB 3.44Å; S922-M925 PolarHBondContact O-N 3.19Å; S922-E926 WeakPolarHBondContact O-CB 3.27Å; S922-E926 PolarHBondContact O-N 3.18Å
923F93.8Very high91.7Very high124 Ų124109.2 Ų109.254%0.54452%0.524SS..Hα-helixtrans-61.1-38.7173.3178.8-125.3000112.7D919 E926 Q927D919-F923 WeakPolarHBondContact O-CB 3.36Å; D919-F923 PolarHBondContact O-N 3.25Å; F923-E926 PolarHBondContact O-N 3.32Å; F923-Q927 HydrophobicContact CE2-CG 4.35Å; F923-Q927 WeakPolarHBondContact O-CG 3.19Å; F923-Q927 PolarHBondContact O-N 2.95Å
924H92.6Very high91.4Very high113 Ų113107.4 Ų107.452%0.52352%0.517SS..Hα-helixtrans-67.9-41.1174.8-173.556.9000112.1R920 Q921 S922 E926 Q927 L928R920-H924 WeakPolarHBondContact O-CB 3.43Å; R920-H924 PolarHBondContact O-N 3.42Å; Q921-H924 PolarHBondContact O-N 3.14Å; S922-H924 VanDerWaalsContact C-N 3.34Å; S922-H924 PolarHBondContact O-N 2.85Å; H924-E926 VanDerWaalsContact C-N 3.35Å; H924-Q927 PolarHBondContact O-N 3.07Å; H924-L928 WeakPolarHBondContact O-CG 3.49Å; H924-L928 PolarHBondContact O-N 3.46Å
925M91.4Very high90.9Very high128 Ų128104.8 Ų104.863%0.63151%0.514SS*.Hα-helixtrans-64.3-38.2174.9-166.866.46800112Q921 S922 L928 K929Q921-M925 WeakPolarHBondContact O-CB 3.36Å; Q921-M925 PolarHBondContact O-N 3.14Å; S922-M925 WeakPolarHBondContact O-CB 3.44Å; S922-M925 PolarHBondContact O-N 3.19Å; M925-L928 PolarHBondContact O-N 3.04Å; M925-K929 WeakPolarHBondContact O-CB 3.41Å; M925-K929 PolarHBondContact O-N 3.07Å
926E91.3Very high90.4Very high135 Ų135108.2 Ų108.263%0.63152%0.524SS*.Hα-helixtrans-69.9-39.9175.8-175.2162.9-130.900112S922 F923 H924 L928 K929 Y930S922-E926 WeakPolarHBondContact O-CB 3.27Å; S922-E926 PolarHBondContact O-N 3.18Å; F923-E926 PolarHBondContact O-N 3.32Å; H924-E926 VanDerWaalsContact C-N 3.35Å; E926-L928 VanDerWaalsContact C-N 3.35Å; E926-L928 PolarHBondContact O-N 3.44Å; E926-K929 PolarHBondContact O-N 3.36Å; E926-Y930 VanDerWaalsContact O-CB 3.29Å; E926-Y930 WeakPolarHBondContact O-CB 3.41Å; E926-Y930 PolarHBondContact O-N 3.22Å
927Q87.8Confident89.7Confident102 Ų102107.7 Ų107.748%0.47752%0.518SS..Hα-helixtrans-58.9-44.6170.5-79-173.553.500112.2F923 H924 Y930 A931F923-Q927 HydrophobicContact CE2-CG 4.35Å; F923-Q927 WeakPolarHBondContact O-CG 3.19Å; F923-Q927 PolarHBondContact O-N 2.95Å; H924-Q927 PolarHBondContact O-N 3.07Å; Q927-Y930 PolarHBondContact O-N 3.11Å; Q927-A931 VanDerWaalsContact O-CB 3.31Å; Q927-A931 WeakPolarHBondContact O-CB 3.27Å; Q927-A931 PolarHBondContact O-N 3Å
928L89.8Confident88.9Confident95 Ų95108.6 Ų108.650%0.49752%0.519SS..Hα-helixtrans-59.4-48174.8-79.3162.5000111.4H924 M925 E926 Y930 A931 E932H924-L928 WeakPolarHBondContact O-CG 3.49Å; H924-L928 PolarHBondContact O-N 3.46Å; M925-L928 PolarHBondContact O-N 3.04Å; E926-L928 VanDerWaalsContact C-N 3.35Å; E926-L928 PolarHBondContact O-N 3.44Å; L928-Y930 PolarHBondContact O-N 2.99Å; L928-A931 PolarHBondContact O-N 3.37Å; L928-E932 PolarHBondContact O-N 3.41Å
929K90.2Very high88Confident140 Ų140111.6 Ų111.661%0.60953%0.525SS*.Hα-helixtrans-64.4-36.9178.6-172.1178.8-178.4-177.30112.8M925 E926 M933M925-K929 WeakPolarHBondContact O-CB 3.41Å; M925-K929 PolarHBondContact O-N 3.07Å; E926-K929 PolarHBondContact O-N 3.36Å; K929-M933 WeakPolarHBondContact O-CB 3.2Å; K929-M933 PolarHBondContact O-N 3.35Å
930Y88.1Confident87.2Confident133 Ų133114.7 Ų114.752%0.52254%0.536SS..Hα-helixtrans-74.4-36.2176.6-175.7-98.8000112E926 Q927 L928 M933 R934E926-Y930 VanDerWaalsContact O-CB 3.29Å; E926-Y930 WeakPolarHBondContact O-CB 3.41Å; E926-Y930 PolarHBondContact O-N 3.22Å; Q927-Y930 PolarHBondContact O-N 3.11Å; L928-Y930 PolarHBondContact O-N 2.99Å; Y930-M933 PolarHBondContact O-N 3.48Å; Y930-R934 WeakPolarHBondContact O-CB 3.37Å; Y930-R934 PolarHBondContact O-N 3.33Å
931A86.1Confident86.2Confident55 Ų55111.9 Ų111.946%0.45553%0.53SS..Hα-helixtrans-63.5-43.3170.500000111.5Q927 L928 R934 A935Q927-A931 VanDerWaalsContact O-CB 3.31Å; Q927-A931 WeakPolarHBondContact O-CB 3.27Å; Q927-A931 PolarHBondContact O-N 3Å; L928-A931 PolarHBondContact O-N 3.37Å; A931-R934 PolarHBondContact O-N 3.39Å; A931-A935 PolarHBondContact O-N 3.12Å
932E88.6Confident84.8Confident96 Ų96112.8 Ų112.845%0.44954%0.535SS..Hα-helixtrans-63.1-45173.7-161.2-157.5170.100111.5L928 R934 A935 R936L928-E932 PolarHBondContact O-N 3.41Å; E932-R934 VanDerWaalsContact C-N 3.33Å; E932-R934 PolarHBondContact O-N 2.87Å; E932-A935 PolarHBondContact O-N 3.22Å; E932-R936 WeakPolarHBondContact O-CB 3.29Å; E932-R936 WeakPolarHBondContact O-CG 3.11Å; E932-R936 PolarHBondContact O-N 2.99Å; E932-R936 IonicContact OE1-CZ 3.97Å; E932-R936 IonicContact OE1-NE 3.89Å; E932-R936 PolarHBondContact OE1-NE 2.76Å; E932-R936 IonicContact OE1-NH2 3.05Å; E932-R936 PolarHBondContact OE1-NH2 2.81Å; E932-R936 IonicContact OE2-NH2 3.1Å
933M86.7Confident83.7Confident87 Ų87112.7 Ų112.743%0.42953%0.528SS..Hα-helixtrans-61.4-41.2176.6-170.3-173.7-59.300111.7K929 Y930 R936 Q937K929-M933 WeakPolarHBondContact O-CB 3.2Å; K929-M933 PolarHBondContact O-N 3.35Å; Y930-M933 PolarHBondContact O-N 3.48Å; M933-R936 PolarHBondContact O-N 3.34Å; M933-Q937 HydrophobicContact CG-CG 4.5Å; M933-Q937 WeakPolarHBondContact O-CB 3.4Å; M933-Q937 WeakPolarHBondContact O-CG 3.48Å; M933-Q937 PolarHBondContact O-N 2.79Å
934R87.6Confident82.2Confident132 Ų132113.1 Ų113.150%0.49853%0.532SS..Hα-helixtrans-61.3-45.2174.6179.6-177.3-74.6176.4-8.4111.4Y930 A931 E932 Q937 Q938Y930-R934 WeakPolarHBondContact O-CB 3.37Å; Y930-R934 PolarHBondContact O-N 3.33Å; A931-R934 PolarHBondContact O-N 3.39Å; E932-R934 VanDerWaalsContact C-N 3.33Å; E932-R934 PolarHBondContact O-N 2.87Å; R934-Q937 PolarHBondContact O-N 2.83Å; R934-Q938 WeakPolarHBondContact O-CG 3.45Å; R934-Q938 PolarHBondContact O-N 3.33Å
935A83.3Confident80.5Confident53 Ų53115.3 Ų115.344%0.43854%0.542SS..Hα-helixtrans-63-43.7175.800000111.9A931 E932 Q937 Q938 H939A931-A935 PolarHBondContact O-N 3.12Å; E932-A935 PolarHBondContact O-N 3.22Å; A935-Q937 PolarHBondContact O-N 3.01Å; A935-Q938 PolarHBondContact O-N 3.31Å; A935-H939 WeakPolarHBondContact O-CB 3.4Å; A935-H939 PolarHBondContact O-N 3.4Å
936R84.2Confident78.8Confident153 Ų153116.5 Ų116.558%0.57755%0.546SS*.Hα-helixtrans-62.6-39.4174-71178.4-178.8-1467.9112.1E932 M933 H939 F940E932-R936 WeakPolarHBondContact O-CB 3.29Å; E932-R936 WeakPolarHBondContact O-CG 3.11Å; E932-R936 PolarHBondContact O-N 2.99Å; E932-R936 IonicContact OE1-CZ 3.97Å; E932-R936 IonicContact OE1-NE 3.89Å; E932-R936 PolarHBondContact OE1-NE 2.76Å; E932-R936 IonicContact OE1-NH2 3.05Å; E932-R936 PolarHBondContact OE1-NH2 2.81Å; E932-R936 IonicContact OE2-NH2 3.1Å; M933-R936 PolarHBondContact O-N 3.34Å; R936-H939 PolarHBondContact O-N 2.75Å; R936-F940 WeakPolarHBondContact O-CB 3.5Å; R936-F940 WeakPolarHBondContact O-CD2 3.45Å; R936-F940 PolarHBondContact O-N 2.8Å
937Q81.5Confident77.1Confident112 Ų112117.4 Ų117.452%0.52355%0.55SS.*Hα-helixtrans-67-40.9176.3-78.8178.51.800112.3M933 R934 A935 F940 Q941M933-Q937 HydrophobicContact CG-CG 4.5Å; M933-Q937 WeakPolarHBondContact O-CB 3.4Å; M933-Q937 WeakPolarHBondContact O-CG 3.48Å; M933-Q937 PolarHBondContact O-N 2.79Å; R934-Q937 PolarHBondContact O-N 2.83Å; A935-Q937 PolarHBondContact O-N 3.01Å; Q937-F940 PolarHBondContact O-N 3.38Å; Q937-Q941 PolarHBondContact O-N 2.93Å
938Q77.3Confident75.1Confident118 Ų118120.9 Ų120.955%0.55157%0.566SS**Hα-helixtrans-60.5-45.5173.3-73.2169-21.600110.9R934 A935 F940 Q941 Q942R934-Q938 WeakPolarHBondContact O-CG 3.45Å; R934-Q938 PolarHBondContact O-N 3.33Å; A935-Q938 PolarHBondContact O-N 3.31Å; Q938-F940 PolarHBondContact O-N 2.85Å; Q938-Q941 PolarHBondContact O-N 3.46Å; Q938-Q942 WeakPolarHBondContact O-CB 3.45Å; Q938-Q942 PolarHBondContact O-N 3.04Å
939H76.5Confident72.9Confident107 Ų107120.7 Ų120.750%0.49557%0.573SS.*Hα-helixtrans-61.7-41.8174.3-174.7-97.6000112.7A935 R936 Q942 I943A935-H939 WeakPolarHBondContact O-CB 3.4Å; A935-H939 PolarHBondContact O-N 3.4Å; R936-H939 PolarHBondContact O-N 2.75Å; H939-Q942 WeakPolarHBondContact O-CB 3.43Å; H939-Q942 PolarHBondContact O-N 2.92Å; H939-I943 WeakPolarHBondContact O-CG1 3.38Å; H939-I943 PolarHBondContact O-N 2.9Å
940F77.4Confident70.7Confident145 Ų145123 Ų12364%0.63659%0.586SS**Hα-helixtrans-67.6-38.8175.6-99.9-83.5000113.2R936 Q937 Q938 Q942 I943 Q944R936-F940 WeakPolarHBondContact O-CB 3.5Å; R936-F940 WeakPolarHBondContact O-CD2 3.45Å; R936-F940 PolarHBondContact O-N 2.8Å; Q937-F940 PolarHBondContact O-N 3.38Å; Q938-F940 PolarHBondContact O-N 2.85Å; F940-Q942 VanDerWaalsContact C-N 3.27Å; F940-Q942 PolarHBondContact O-N 3.11Å; F940-I943 PolarHBondContact O-N 2.95Å; F940-Q944 WeakPolarHBondContact O-CB 3.36Å; F940-Q944 PolarHBondContact O-N 3.39Å
941Q70.8Confident68Low131 Ų131121.3 Ų121.361%0.61260%0.599SS**Hα-helixtrans-61.1-38.1171.3-82.8-171.2-19.600111.6Q937 Q938 Q944 H945Q937-Q941 PolarHBondContact O-N 2.93Å; Q938-Q941 PolarHBondContact O-N 3.46Å; Q941-Q944 PolarHBondContact O-N 3.25Å; Q941-H945 WeakPolarHBondContact O-CB 3.31Å; Q941-H945 PolarHBondContact O-N 2.84Å
942Q64.8Low65.5Low144 Ų144122.7 Ų122.767%0.67362%0.619SS**Hα-helixtrans-64.9-41.6177.5-153.1166.426.200111.7Q938 H939 F940 Q946Q938-Q942 WeakPolarHBondContact O-CB 3.45Å; Q938-Q942 PolarHBondContact O-N 3.04Å; H939-Q942 WeakPolarHBondContact O-CB 3.43Å; H939-Q942 PolarHBondContact O-N 2.92Å; F940-Q942 VanDerWaalsContact C-N 3.27Å; F940-Q942 PolarHBondContact O-N 3.11Å; Q942-Q946 PolarHBondContact O-N 3.14Å
943I68.4Low62.9Low63 Ų63121.7 Ų121.732%0.32363%0.634SS.*Hα-helixtrans-67.1-40.6172.5-68.6170.2000111.7H939 F940 Q946 Q947H939-I943 WeakPolarHBondContact O-CG1 3.38Å; H939-I943 PolarHBondContact O-N 2.9Å; F940-I943 PolarHBondContact O-N 2.95Å; I943-Q946 CarbonylContact O-C 3.58Å; I943-Q946 WeakPolarHBondContact O-CA 3.31Å; I943-Q946 WeakPolarHBondContact O-CB 3.5Å; I943-Q946 PolarHBondContact O-N 3Å; I943-Q946 VanDerWaalsContact O-N 3.08Å; I943-Q947 PolarHBondContact O-N 3.02Å; I943-Q947 VanDerWaalsContact O-N 3.07Å
944Q62.8Low61.2Low134 Ų134122.7 Ų122.763%0.62665%0.647SS**Hα-helixtrans-69.1-36.6-179.1-163.1173.119.400111.9F940 Q941 Q946 Q947 H948F940-Q944 WeakPolarHBondContact O-CB 3.36Å; F940-Q944 PolarHBondContact O-N 3.39Å; Q941-Q944 PolarHBondContact O-N 3.25Å; Q944-Q946 VanDerWaalsContact C-N 3.26Å; Q944-Q946 PolarHBondContact O-N 2.77Å; Q944-Q947 PolarHBondContact O-N 3.25Å; Q944-H948 PolarHBondContact O-N 3.46Å; Q944-H948 VanDerWaalsContact O-N 3.15Å
945H56.4Low58.6Low158 Ų158124.5 Ų124.573%0.73166%0.661SS**Hα-helixtrans-58.8-38.2167.3-107.674.4000112.1Q941 Q947Q941-H945 WeakPolarHBondContact O-CB 3.31Å; Q941-H945 PolarHBondContact O-N 2.84Å; H945-Q947 VanDerWaalsContact C-N 3.33Å; H945-Q947 PolarHBondContact O-N 2.98Å
946Q55.8Low56.2Low154 Ų154126.2 Ų126.272%0.7267%0.67SS**Hα-helixtrans-73.9-20179.8-166.2170.269.900113.6Q942 I943 Q944 S949Q942-Q946 PolarHBondContact O-N 3.14Å; I943-Q946 CarbonylContact O-C 3.58Å; I943-Q946 WeakPolarHBondContact O-CA 3.31Å; I943-Q946 WeakPolarHBondContact O-CB 3.5Å; I943-Q946 PolarHBondContact O-N 3Å; I943-Q946 VanDerWaalsContact O-N 3.08Å; Q944-Q946 VanDerWaalsContact C-N 3.26Å; Q944-Q946 PolarHBondContact O-N 2.77Å; Q946-S949 PolarHBondContact O-OG 3.25Å
947Q56Low54Low153 Ų153126.2 Ų126.272%0.71568%0.681SS**Hα-helixtrans-88.8-29172.6-73.1-168.9-6.800113.8I943 Q944 H945 S949I943-Q947 PolarHBondContact O-N 3.02Å; I943-Q947 VanDerWaalsContact O-N 3.07Å; Q944-Q947 PolarHBondContact O-N 3.25Å; H945-Q947 VanDerWaalsContact C-N 3.33Å; H945-Q947 PolarHBondContact O-N 2.98Å; Q947-S949 PolarHBondContact O-N 3.45Å
948H45.9Very low52Low176 Ų176129.3 Ų129.382%0.81570%0.696SS**THydrogen-bonded Turntrans-82.57.4-177.4-131.572.1000114.6Q944Q944-H948 PolarHBondContact O-N 3.46Å; Q944-H948 VanDerWaalsContact O-N 3.15Å
949S43.3Very low50Low91 Ų91128.2 Ų128.264%0.63671%0.707SS**THydrogen-bonded Turntrans-104.524.2-177.967.50000114.9Q946 Q947Q946-S949 PolarHBondContact O-OG 3.25Å; Q947-S949 PolarHBondContact O-N 3.45Å
950Q44.4Very low48.8Very low189 Ų189128 Ų12888%0.88372%0.723SS**  trans-112.950.5172.2-76.9-1583.800113.6
951A30.4Very low46.8Very low96 Ų96126.5 Ų126.579%0.79373%0.731SS**SBendtrans-156.473.8168.100000114.1
952G32.6Very low45Very low85 Ų85125.1 Ų125.188%0.87674%0.742SS**  trans78.3126160.600000117.6
953G35.4Very low43.3Very low74 Ų74123 Ų12376%0.76375%0.749SS**  trans-112.7-158.1160.600000110.6
954P50.9Low42.3Very low108 Ų108125.9 Ų125.970%0.70177%0.772SS**  cis-120.6-158.7240.3-25.1000112.7
955H31.9Very low41.8Very low171 Ų171125 Ų12579%0.79278%0.778SS**  trans79.8144.1-178.5-54.1-82.2000116.1
956S34.3Very low40.5Very low89 Ų89126.6 Ų126.662%0.62279%0.786SS**  cis-165.5142.7-22.847.30000110.9
957N37.3Very low39.4Very low153 Ų153122.3 Ų122.382%0.81878%0.782SS**  trans62.9168.4178-52.7-30.3000113.5
958Q38.6Very low38.6Very low177 Ų177120.3 Ų120.383%0.82778%0.783SS**  cis-154.1169.410.6-156.6173.453.600111.1
959A36.6Very low37.7Very low95 Ų95117.4 Ų117.479%0.78578%0.782SS**  trans67.9140.3159.900000119.4
960A51.1Low37.1Very low101 Ų101117.2 Ų117.284%0.83579%0.786SS**  trans-155.396.217600000113.1
961S34.7Very low36.5Very low114 Ų114113 Ų11380%0.79778%0.777SS**  trans-172.4118.3153.347.40000107.1
962A32.9Very low37.4Very low102 Ų102116.6 Ų116.684%0.84378%0.778SS**  cis74.480.843.400000113.6
963A29.6Very low37.6Very low99 Ų99118.8 Ų118.882%0.81878%0.776SS**  trans-154.5104.5160.900000111.1
964P47.1Very low37.9Very low124 Ų124118.4 Ų118.481%0.80577%0.766SS**  trans-100.8-153.7162.743.5-34.8000108.6
965P51.8Low37.7Very low116 Ų116119 Ų11975%0.75377%0.77SS**  -121.9161.8-11335.7-17.1000115.7
966Q30.3Very low37.5Very low192 Ų192116 Ų11690%0.89777%0.768SS**  trans-163.8140.9168-100.71593200107.5
967G32.7Very low37.7Very low63 Ų63118.1 Ų118.165%0.64978%0.778SS**  cis76.5150.9-3.100000115
968P38.3Very low38Very low112 Ų112117 Ų11773%0.72778%0.779SS**  cis-130.5-175.2-19.242.8-28.2000112.4
969S28.3Very low37.7Very low115 Ų115112.9 Ų112.980%0.80478%0.775SS**  trans60.2174.4152.3-54.10000117.7
970A30.6Very low38.5Very low87 Ų87113.8 Ų113.872%0.71977%0.773SS**  cis-127.2139.5-18.200000106.6
971S32Very low37.5Very low99 Ų99118.1 Ų118.169%0.69278%0.776SS**  cis74.576.242.284.40000115.4
972Q47.7Very low37.4Very low172 Ų172117.5 Ų117.580%0.80478%0.778SS**  trans67.7172.9154.8-57-172.1-35.700117.2
973P37.4Very low37.4Very low131 Ų131117.5 Ų117.585%0.85178%0.778SS**  -127.2137.386.4137.6000115.3
974A41.1Very low38.2Very low67 Ų67118.8 Ų118.855%0.55478%0.778SS**  trans-90.8164.613800000107.6
975P46.9Very low37.8Very low119 Ų119118.1 Ų118.177%0.77378%0.776SS**  -137-163.571.927-1.3000111
976S28.8Very low37.6Very low109 Ų109118.2 Ų118.276%0.76278%0.777SS**  cis-162160.530.5-53.40000114.7
977T38.8Very low37.5Very low133 Ų133113.4 Ų113.482%0.81677%0.77SS**  trans-93.3164.916046.80000110.6
978P43.5Very low38.1Very low130 Ų130116.4 Ų116.484%0.84478%0.778SS**  -150-170.284.539.2-18.2000115.8
979A30.6Very low38.5Very low90 Ų90116.5 Ų116.574%0.74478%0.779SS**  trans-105.7-154.6172.700000110
980P54.7Low38.6Very low115 Ų115115.4 Ų115.475%0.74778%0.776SS**  cis-138.8-174.7-11.242-21.8000116.5
981Q30Very low38.6Very low191 Ų191116.7 Ų116.789%0.89378%0.78SS**  trans19.1144.7155.6-69.5-177.4-35.800125.5
982A32.1Very low38.4Very low101 Ų101117.2 Ų117.284%0.83578%0.784SS**  trans112.8161.3137.300000121
983A32.6Very low37.8Very low102 Ų102113.2 Ų113.284%0.84378%0.78SS**  trans92.5158.6170.400000119.7
984P47.4Very low38.1Very low126 Ų126112.6 Ų112.682%0.81878%0.776SS**  trans-124-172.4-153.945-32.2000118.2
985S38.1Very low37.4Very low110 Ų110113.9 Ų113.977%0.76979%0.786SS**  trans-48170172.1-430000116.4
986P46.8Very low38Very low118 Ų118113.5 Ų113.577%0.76678%0.784SS**  cis-148.7175.323.644.4-24.4000120.6
987A28.9Very low38Very low91 Ų91117.3 Ų117.375%0.75279%0.79SS**  trans66.3174.1154.700000118
988P46Very low37.6Very low126 Ų126116.3 Ų116.382%0.81879%0.789SS**  cis-128.4-138.90.451.4-33.5000111.5
989P46.6Very low37.1Very low115 Ų115118.7 Ų118.775%0.74779%0.788SS**  trans-123.2-178.6-150.739.8-17.7000117.7
990A30.6Very low37.8Very low91 Ų91119.6 Ų119.675%0.75279%0.786SS**  trans28.2136.4149.600000122.9
991S29.3Very low36.6Very low114 Ų114118.7 Ų118.780%0.79779%0.789SS**  -176.8137113-78.90000115.4
992S28.4Very low36.6Very low111 Ų111114.2 Ų114.278%0.77678%0.784SS**  trans31.7138.2146.665.10000125.1
993A34.8Very low36.5Very low87 Ų87112.6 Ų112.672%0.71978%0.778SS**  trans-14.3161.9131.200000117.9
994P43.3Very low36.3Very low118 Ų118113.8 Ų113.877%0.76678%0.775SS**  -155.3168.751.544.4-23.5000120.5
995A27.8Very low35.4Very low94 Ų94115.4 Ų115.478%0.77777%0.771SS**  trans43.8-169.1131.100000121.4
996P59.2Low34.9Very low112 Ų112117.3 Ų117.373%0.72778%0.778SS**  trans-134.7-156.6-130.237.2-10.7000116.1
997E29.7Very low34Very low188 Ų188116.4 Ų116.488%0.87978%0.775SS**  trans73.5151.9176.6-50.8-167.689.500115.1
998S30.3Very low34Very low113 Ų113117.4 Ų117.479%0.7978%0.776SS**  cis-155.2177.422.653.50000113.8
999Q32.1Very low33.9Very low179 Ų179117.1 Ų117.184%0.83677%0.774SS**  trans-73.1-179.5166.2-86-168.97.300111.9
1000P45.5Very low33.2Very low109 Ų109116.8 Ų116.871%0.70877%0.774SS**  cis-148.6-175.521.545.1-24.6000119.3
1001A30.1Very low33.9Very low96 Ų96118 Ų11879%0.79377%0.773SS**  trans68.1154.3144.600000120.8
1002A29.4Very low34.8Very low97 Ų97118.5 Ų118.580%0.80277%0.774SS**  cis-167.3151.8-23.900000111.6
1003G29.2Very low34.9Very low68 Ų68116.9 Ų116.970%0.70178%0.775SS**  trans70.4173.116000000117.8
1004T28.2Very low34.7Very low126 Ų126121.8 Ų121.877%0.77378%0.783SS**  cis-160.8165.7-17.34.60000110.7
1005H30.1Very low35.2Very low161 Ų161122 Ų12275%0.74578%0.784SS**  trans-27.7147.2176.7-37.2-80.9000119.1
1006T26.9Very low35.7Very low150 Ų150123.4 Ų123.492%0.9279%0.786SS**  -173.9176.810724.80000112
1007S27.1Very low34.3Very low98 Ų98122.4 Ų122.469%0.68579%0.787SS**  trans-135.8158.6-160.3570000114.4
1008S29.9Very low35.8Very low113 Ų113118.2 Ų118.279%0.7978%0.776SS**  trans74.8167.2159-51.80000116.1
1009P43.3Very low35.7Very low120 Ų120120.8 Ų120.878%0.77978%0.775SS**  cis-128.4173.9-0.541-25.3000116.2
1010C32.8Very low35.5Very low108 Ų108117.9 Ų117.973%0.7378%0.775SS**  trans-78.6158.9160.1-175.70000110.2
1011P43.8Very low34.7Very low115 Ų115117.2 Ų117.275%0.74777%0.772SS**  -148-158.2109.645.7-27.7000112.4
1012P49.5Very low34.6Very low125 Ų125117.6 Ų117.681%0.81277%0.769SS**  -137-178.8-10539.9-18.4000116.5
1013G29.3Very low34.5Very low77 Ų77117.8 Ų117.879%0.79477%0.765SS**  trans136.3134151.400000118.4
1014Q30.6Very low34.5Very low191 Ų191120.8 Ų120.889%0.89377%0.77SS**  trans-90.3172.7160.2-61.9169.5-36.300109.1
1015P54.2Low34.6Very low122 Ų122119.5 Ų119.579%0.79276%0.762SS**  cis-115.7-131.40.233-8.8000108.5
1016P39.3Very low35.3Very low124 Ų124117.6 Ų117.681%0.80576%0.764SS**  cis-133.5-166.5-11.643.7-24.3000115.4
1017A29.1Very low35.6Very low90 Ų90115.7 Ų115.774%0.74475%0.747SS**  trans-152.1174.7172.100000109.5
1018P60.5Low35.7Very low100 Ų100119.2 Ų119.265%0.64975%0.752SS**  cis-129.4-166.7-42.535-17.4000112.1
1019H29.3Very low35.7Very low167 Ų167120.8 Ų120.877%0.77375%0.746SS**  trans129139145.3-70.3-69.6000118.2
1020S27.9Very low35Very low119 Ų119121.1 Ų121.183%0.83274%0.738SS**  trans70.8154.2157.279.60000117.3
1021S27.2Very low35.8Very low94 Ų94121.5 Ų121.566%0.65774%0.739SS**  cis-151.8164.86.862.50000113
1022S28.1Very low35.2Very low104 Ų104120.1 Ų120.173%0.72773%0.732SS**  trans59.2153.3147.754.10000119.9
1023S27.8Very low34.5Very low102 Ų102118.4 Ų118.471%0.71373%0.729SS**  cis177.1157.3-4.544.60000106.3
1024T29.2Very low35.8Very low131 Ų131120.1 Ų120.180%0.80473%0.726SS**  cis-176.9168.8-1.9-86.20000105.6
1025T30.4Very low36.1Very low98 Ų98118.3 Ų118.360%0.60172%0.717SS**  trans-75.3179.1-173.151.50000116.1I1027T1025-I1027 VanDerWaalsContact OG1-CD1 3.27Å; T1025-I1027 WeakPolarHBondContact OG1-CD1 3.41Å; T1025-I1027 WeakPolarHBondContact OG1-CG1 3.5Å
1026P44.9Very low35.1Very low122 Ų122119.3 Ų119.379%0.79271%0.711SS**  -120.3152.492.5-1.623.1000113.5
1027I34Very low34.9Very low109 Ų109116.1 Ų116.156%0.55970%0.701SS**  cis82.4132.832.5-55.8164.6000111.3T1025T1025-I1027 VanDerWaalsContact OG1-CD1 3.27Å; T1025-I1027 WeakPolarHBondContact OG1-CD1 3.41Å; T1025-I1027 WeakPolarHBondContact OG1-CG1 3.5Å
1028H28.9Very low35Very low172 Ų172119.8 Ų119.880%0.79670%0.703SS**  cis-122.1153.825.1-72.9-90.8000113.5
1029H29.7Very low33.7Very low146 Ų146118.9 Ų118.968%0.67670%0.698SS**  67.812760.4-74.5-84.2000116.1
1030E28.6Very low33.8Very low127 Ų127119 Ų11959%0.59370%0.704SS**  91.5148.350.6-136.6-153.7140.900113S1032E1030-S1032 VanDerWaalsContact CD-OG 3.29Å; E1030-S1032 WeakPolarHBondContact OE1-CA 3.43Å; E1030-S1032 WeakPolarHBondContact OE1-CB 3.48Å; E1030-S1032 PolarHBondContact OE1-N 2.91Å; E1030-S1032 VanDerWaalsContact OE1-N 3.14Å; E1030-S1032 PolarHBondContact OE1-OG 2.58Å
1031P50Low34.1Very low116 Ų116121.9 Ų121.975%0.75370%0.704SS**  -128.6155.774.38.916.2000114.5
1032S31.3Very low35.9Very low87 Ų87122.3 Ų122.361%0.60871%0.705SS**  76.6142.659.9-420000113.8E1030E1030-S1032 VanDerWaalsContact CD-OG 3.29Å; E1030-S1032 WeakPolarHBondContact OE1-CA 3.43Å; E1030-S1032 WeakPolarHBondContact OE1-CB 3.48Å; E1030-S1032 PolarHBondContact OE1-N 2.91Å; E1030-S1032 VanDerWaalsContact OE1-N 3.14Å; E1030-S1032 PolarHBondContact OE1-OG 2.58Å
1033A34.3Very low35.9Very low89 Ų89123.3 Ų123.374%0.73671%0.712SS**  cis-178.8-178.5-3.100000108.5
1034P56.7Low36.4Very low113 Ų113122.9 Ų122.973%0.73471%0.714SS**  cis-122.1-139.65.333.6-8.9000111.9
1035H35.6Very low37.8Very low152 Ų152122 Ų12270%0.70471%0.71SS**  cis-163.31762.9-134.312.2000108.8
1036Q34.3Very low38.6Very low143 Ų143123.6 Ų123.667%0.66872%0.72SS**  cis-117.8-106.9-13.9-161.9174.682.500110.2
1037G33.9Very low39.2Very low58 Ų58123.6 Ų123.660%0.59872%0.72SS**  cis84161.4-13.400000118.8
1038E32.7Very low39.7Very low167 Ų167122.6 Ų122.678%0.7873%0.728SS**  cis-175.3159.7-20.1-96.8-14262.100108.2
1039S33.2Very low41.3Very low80 Ų80120 Ų12056%0.55973%0.727SS**  cis-173.2154.9-24.359.70000111.3
1040L31.9Very low41.7Very low171 Ų171126 Ų12690%0.89575%0.754SS**  trans163.3163.5131.9-88.9166.9000115
1041H32.5Very low42.4Very low178 Ų178125.9 Ų125.982%0.82476%0.763SS**  trans-128.2-176.2-172.3-105.1-88.1000109.4
1042P64.6Low42Very low104 Ų104126.4 Ų126.468%0.67576%0.763SS**  -127.5-176.5-70.237.7-18.8000112.4
1043S29.3Very low42.6Very low125 Ų125128.6 Ų128.687%0.87477%0.772SS**  trans165.4163.7138.3-78.30000114.5
1044A39.1Very low43.1Very low92 Ų92130.9 Ų130.976%0.7677%0.774SS**  trans-129.6-175.8169.100000108.4
1045P57.7Low42.2Very low112 Ų112132.1 Ų132.173%0.72778%0.776SS**  cis-138.3177.2-0.444.3-26.8000116.4
1046V47.1Very low42.7Very low133 Ų133130.7 Ų130.781%0.80678%0.781SS**  trans18.8123.8136.1-178.70000117.2
1047P57.1Low43.3Very low122 Ų122129.9 Ų129.979%0.79279%0.789SS**  -147.5173.975.341.2-22.9000119
1048A45.7Very low44Very low88 Ų88135.4 Ų135.473%0.72780%0.804SS**  trans-85.4-175.4169.900000110.8
1049P61.8Low44.9Very low118 Ų118132.8 Ų132.877%0.76681%0.806SS**  cis-140.1164.4642.8-25.4000117.9
1050Q39.2Very low46Very low270 Ų270137.5 Ų137.5100%1.26283%0.828SS**  -154.40120.3-111.217810.300110.2

Retrieved 1,050 of 1,050 residues in 479.4 ms (Link to these results)

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