A0A087XK34_POEFO Loading...

Missing oocyte, meiosis regulator, homolog (Drosophila)

AlphaFold DB , UniProt , Accession A0A087XK34, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 879 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
1I22.6Very low63.8Low227 Ų22781.6 Ų81.6100%1.16446%0.464SS*.  0105.20-62.3168.8000105.9S3I1-S3 PolarHBondContact O-N 2.98Å
2M21.6Very low66.2Low181 Ų18175.2 Ų75.289%0.89243%0.428SS*.  trans-58.8124.9-172.6-65.816867.200109.4G4M2-G4 PolarHBondContact O-N 3.05Å
3S29.2Very low67.8Low117 Ų11774.8 Ų74.882%0.81843%0.43SS*.  trans-67.488.2169.158.90000107.9I1 S5I1-S3 PolarHBondContact O-N 2.98Å; S3-S5 PolarHBondContact O-N 3.34Å
4G43.3Very low69.1Low59 Ų5974.1 Ų74.161%0.60842%0.421SS*.PPolyproline II helixtrans-55.1132.317500000109.7M2 K6M2-G4 PolarHBondContact O-N 3.05Å; G4-K6 PolarHBondContact O-N 3.48Å
5S55.2Low70.4Confident62 Ų6271.7 Ų71.743%0.43441%0.405SS..PPolyproline II helixtrans-52.1137.6165.143.90000108.6S3 D23S3-S5 PolarHBondContact O-N 3.34Å; S5-D23 VanDerWaalsContact CB-OD1 3.23Å; S5-D23 WeakPolarHBondContact CB-OD1 3.39Å; S5-D23 PolarHBondContact OG-OD1 3.27Å
6K72.3Confident71.6Confident110 Ų11070.8 Ų70.848%0.47840%0.403SS..PPolyproline II helixtrans-91.9133.7174.5-69.5-172.3175.2-163.90107.7G4 D8G4-K6 PolarHBondContact O-N 3.48Å; K6-D8 PolarHBondContact O-N 2.91Å
7P86.1Confident72.8Confident7 Ų769.9 Ų69.95%0.04540%0.396CS..PPolyproline II helixtrans-64133.6178.826.9-34.1000109.7I21 C22 D23 S329 V343P7-I21 HydrophobicContact CB-CG2 4.43Å; P7-C22 CarbonylContact C-O 3.55Å; P7-C22 WeakPolarHBondContact CA-O 3.38Å; P7-D23 HydrophobicContact CB-CB 4.14Å; P7-S329 WeakPolarHBondContact O-CB 3.45Å; P7-V343 HydrophobicContact CB-CG1 4.15Å; P7-V343 HydrophobicContact CG-CG1 4.21Å
8D90.3Very high73.9Confident60 Ų6069 Ų6932%0.32139%0.386SS..EExtended strand (participates in β ladder)trans-114.4158.1168.8-161.918000110.7K6 I21 C22 K274 S329K6-D8 PolarHBondContact O-N 2.91Å; D8-I21 CarbonylContact O-C 3.57Å; D8-I21 WeakPolarHBondContact O-CA 3.32Å; D8-C22 HydrophobicContact CB-CB 4.48Å; D8-C22 PolarHBondContact N-O 3.47Å; D8-C22 PolarHBondContact O-N 3.24Å; D8-K274 IonicContact OD1-NZ 3.89Å; D8-K274 PolarHBondContact OD1-NZ 3.21Å; D8-S329 PolarHBondContact OD1-OG 3.47Å
9I93.9Very high75Confident1 Ų165.4 Ų65.41%0.00537%0.365CS..EExtended strand (participates in β ladder)trans-131.1131.5-178.8179.1170.6000110.2Y19 V20 K274 A331 V341 V343I9-Y19 HydrophobicContact CD1-CD2 3.67Å; I9-Y19 HydrophobicContact CD1-CE2 4.02Å; I9-Y19 HydrophobicContact CD1-CG 4.22Å; I9-Y19 HydrophobicContact CG1-CD2 4.02Å; I9-V20 WeakPolarHBondContact CA-O 3.46Å; I9-K274 PolarHBondContact O-NZ 3.25Å; I9-A331 HydrophobicContact CB-CB 4.49Å; I9-A331 HydrophobicContact CG1-CB 4.14Å; I9-A331 HydrophobicContact CG2-CB 3.82Å; I9-V341 HydrophobicContact CD1-CB 3.94Å; I9-V341 HydrophobicContact CD1-CG1 3.69Å; I9-V343 HydrophobicContact CB-CG2 4.13Å; I9-V343 HydrophobicContact CD1-CG2 4.07Å; I9-V343 HydrophobicContact CG2-CG2 4.25Å
10L93.5Very high75.9Confident44 Ų4462.1 Ų62.123%0.2335%0.347CS..EExtended strand (participates in β ladder)trans-129.9125.2-180-61.2175.5000109.9Y19 V20 V67L10-Y19 CarbonylContact O-C 3.58Å; L10-Y19 VanDerWaalsContact O-CA 3.3Å; L10-Y19 WeakPolarHBondContact O-CA 3.37Å; L10-Y19 WeakPolarHBondContact O-CB 3.4Å; L10-V20 PolarHBondContact N-O 2.85Å; L10-V20 PolarHBondContact O-N 3.37Å; L10-V67 HydrophobicContact CD1-CB 4.08Å; L10-V67 HydrophobicContact CD1-CG1 4.11Å
11W94.1Very high76.7Confident30 Ų3059.8 Ų59.811%0.11433%0.334CS..EExtended strand (participates in β ladder)trans-75.7147.6172.5-84.897.5000111.5P16 Y19 I31 A331 W332 H333 P334 V341W11-P16 WeakPolarHBondContact CZ3-O 3.36Å; W11-Y19 HydrophobicContact CE3-CD1 4.33Å; W11-Y19 AromaticContact CH2-CD1 3.68Å; W11-Y19 HydrophobicContact CH2-CD1 3.68Å; W11-Y19 HydrophobicContact CH2-CE1 4.32Å; W11-Y19 AromaticContact CZ2-CD1 3.93Å; W11-Y19 HydrophobicContact CZ2-CD1 3.93Å; W11-Y19 AromaticContact CZ3-CD1 3.88Å; W11-Y19 HydrophobicContact CZ3-CD1 3.88Å; W11-I31 HydrophobicContact CH2-CG2 3.7Å; W11-I31 HydrophobicContact CZ3-CG2 4.26Å; W11-A331 PolarHBondContact NE1-O 3.2Å; W11-W332 PolarHBondContact NE1-O 3.44Å; W11-H333 AromaticContact CH2-CD2 3.64Å; W11-H333 HydrophobicContact CZ2-CB 4.44Å; W11-H333 AromaticContact CZ2-CD2 3.77Å; W11-P334 HydrophobicContact CD2-CG 4.37Å; W11-P334 HydrophobicContact CE3-CG 4.18Å; W11-V341 HydrophobicContact CZ2-CG2 3.86Å
12S92.4Very high80Confident4 Ų449.4 Ų49.43%0.02828%0.281CS..  trans-63.3134.2169.9-178.50000109.6H14 H15 R18S12-H14 PolarHBondContact O-N 2.85Å; S12-H14 PolarHBondContact OG-N 3.3Å; S12-H15 WeakPolarHBondContact CB-O 3.29Å; S12-H15 PolarHBondContact OG-N 3.49Å; S12-R18 VanDerWaalsContact CB-O 3.23Å; S12-R18 WeakPolarHBondContact CB-O 3.36Å; S12-R18 PolarHBondContact N-O 3.23Å
13P87.4Confident83Confident70 Ų7041.6 Ų41.646%0.45524%0.243SC..SBendtrans-69.2-14.6174.523.7-29.2000113.5W69P13-W69 HydrophobicContact CG-CG 4.29Å
14H85.4Confident85.6Confident66 Ų6639.3 Ų39.331%0.30623%0.227SC..SBendtrans-117.6-35-173.6-57.1-60.5000114.1S12 P16 P71 K72 H73S12-H14 PolarHBondContact O-N 2.85Å; S12-H14 PolarHBondContact OG-N 3.3Å; H14-P16 WeakPolarHBondContact O-CD 3.44Å; H14-P71 PolarHBondContact CE1-O 3.03Å; H14-P71 PolarHBondContact NE2-O 3.45Å; H14-K72 PolarHBondContact CD2-O 3.44Å; H14-K72 WeakPolarHBondContact NE2-CA 3.48Å; H14-K72 PolarHBondContact NE2-N 3.41Å; H14-K72 PolarHBondContact NE2-O 3.48Å; H14-K72 VanDerWaalsContact NE2-O 3.12Å; H14-H73 PolarHBondContact NE2-N 3.25Å
15H89Confident87.8Confident37 Ų3739.4 Ų39.417%0.17121%0.212CC..  trans-108.8102.3-175.1-63.9-65.2000109.4S12 D17 R18 H73S12-H15 WeakPolarHBondContact CB-O 3.29Å; S12-H15 PolarHBondContact OG-N 3.49Å; H15-D17 WeakPolarHBondContact CB-OD1 3.49Å; H15-D17 PolarHBondContact O-N 3.26Å; H15-R18 HydrophobicContact CB-CB 3.95Å; H15-R18 HydrophobicContact CB-CG 3.84Å; H15-R18 PolarHBondContact O-N 3.41Å; H15-H73 AromaticContact CE1-NE2 3.53Å; H15-H73 AromaticContact NE2-NE2 3.67Å
16P89.9Confident89.5Confident58 Ų5836.5 Ų36.538%0.37719%0.191SC..THydrogen-bonded Turntrans-67.4-9.1-175.829.9-36.4000113.1W11 H14 H333 P334 S335W11-P16 WeakPolarHBondContact CZ3-O 3.36Å; H14-P16 WeakPolarHBondContact O-CD 3.44Å; P16-H333 PolarHBondContact O-CE1 2.86Å; P16-H333 PolarHBondContact O-NE2 3.3Å; P16-P334 HydrophobicContact CB-CG 4.08Å; P16-S335 WeakPolarHBondContact CB-OG 3.37Å
17D91.3Very high90.4Very high55 Ų5531.4 Ų31.429%0.29417%0.171SC..THydrogen-bonded Turntrans-94.1-6.7174.168.4-56.4000112.9H15 S30 I31H15-D17 WeakPolarHBondContact CB-OD1 3.49Å; H15-D17 PolarHBondContact O-N 3.26Å; D17-S30 CarbonylContact O-C 3.56Å; D17-S30 WeakPolarHBondContact O-CA 3.31Å; D17-S30 PolarHBondContact OD2-OG 2.99Å; D17-I31 HydrophobicContact CB-CG2 4.46Å; D17-I31 WeakPolarHBondContact O-CG2 3.13Å; D17-I31 PolarHBondContact O-N 2.77Å
18R92.8Very high90.8Very high54 Ų5431.3 Ų31.320%0.20417%0.169CC..EExtended strand (participates in β ladder)trans-117.7140.4-173.3-58.6-176.3-173.3179.82.4113.7S12 H15 L28 Y29 E76S12-R18 VanDerWaalsContact CB-O 3.23Å; S12-R18 WeakPolarHBondContact CB-O 3.36Å; S12-R18 PolarHBondContact N-O 3.23Å; H15-R18 HydrophobicContact CB-CB 3.95Å; H15-R18 HydrophobicContact CB-CG 3.84Å; H15-R18 PolarHBondContact O-N 3.41Å; R18-L28 HydrophobicContact CB-CD1 4.44Å; R18-Y29 VanDerWaalsContact CA-O 3.3Å; R18-Y29 WeakPolarHBondContact CA-O 3.29Å; R18-E76 IonicContact CZ-OE1 2.71Å; R18-E76 IonicContact NH1-OE1 3.74Å; R18-E76 PolarHBondContact NH1-OE1 3.09Å; R18-E76 IonicContact NH2-OE1 3.88Å
19Y94.4Very high90.9Very high0 Ų030.2 Ų30.20%016%0.161CC..EExtended strand (participates in β ladder)trans-145.5159.9173.260.1-92.1000111.1I9 L10 W11 I21 Y29 I31 A52 M350I9-Y19 HydrophobicContact CD1-CD2 3.67Å; I9-Y19 HydrophobicContact CD1-CE2 4.02Å; I9-Y19 HydrophobicContact CD1-CG 4.22Å; I9-Y19 HydrophobicContact CG1-CD2 4.02Å; L10-Y19 CarbonylContact O-C 3.58Å; L10-Y19 VanDerWaalsContact O-CA 3.3Å; L10-Y19 WeakPolarHBondContact O-CA 3.37Å; L10-Y19 WeakPolarHBondContact O-CB 3.4Å; W11-Y19 HydrophobicContact CE3-CD1 4.33Å; W11-Y19 AromaticContact CH2-CD1 3.68Å; W11-Y19 HydrophobicContact CH2-CD1 3.68Å; W11-Y19 HydrophobicContact CH2-CE1 4.32Å; W11-Y19 AromaticContact CZ2-CD1 3.93Å; W11-Y19 HydrophobicContact CZ2-CD1 3.93Å; W11-Y19 AromaticContact CZ3-CD1 3.88Å; W11-Y19 HydrophobicContact CZ3-CD1 3.88Å; Y19-I21 HydrophobicContact CD2-CG1 4.23Å; Y19-I21 HydrophobicContact CE2-CD1 4.14Å; Y19-I21 HydrophobicContact CE2-CG1 4.14Å; Y19-Y29 HydrophobicContact CE2-CD2 4.07Å; Y19-Y29 HydrophobicContact CE2-CG 4.03Å; Y19-Y29 PolarHBondContact N-O 3.08Å; Y19-Y29 PolarHBondContact O-N 3.19Å; Y19-I31 HydrophobicContact CE1-CB 4.18Å; Y19-A52 VanDerWaalsContact OH-CB 3.27Å; Y19-A52 WeakPolarHBondContact OH-CB 3.41Å; Y19-M350 HydrophobicContact CE2-SD 3.76Å; Y19-M350 PolarHBondContact OH-SD 3.49Å
20V93.8Very high90.9Very high0 Ų031.4 Ų31.40%017%0.169CC..EExtended strand (participates in β ladder)trans-115.2137177.2169.50000109.1I9 L10 L26 G27 L28 W69 L79 L93I9-V20 WeakPolarHBondContact CA-O 3.46Å; L10-V20 PolarHBondContact N-O 2.85Å; L10-V20 PolarHBondContact O-N 3.37Å; V20-L26 HydrophobicContact CG1-CD2 4.09Å; V20-G27 CarbonylContact C-O 3.48Å; V20-G27 VanDerWaalsContact CA-O 3.27Å; V20-G27 WeakPolarHBondContact CA-O 3.5Å; V20-L28 HydrophobicContact CG2-CB 4.24Å; V20-L28 HydrophobicContact CG2-CD1 3.63Å; V20-W69 HydrophobicContact CB-CE3 4.3Å; V20-W69 HydrophobicContact CB-CH2 4.41Å; V20-W69 HydrophobicContact CB-CZ3 3.68Å; V20-W69 HydrophobicContact CG2-CE3 4.07Å; V20-W69 HydrophobicContact CG2-CH2 3.5Å; V20-W69 VanDerWaalsContact CG2-CH2 3.5Å; V20-W69 HydrophobicContact CG2-CZ3 3.23Å; V20-L79 HydrophobicContact CG1-CD1 4.21Å; V20-L79 HydrophobicContact CG2-CD1 4.32Å; V20-L93 HydrophobicContact CG1-CD1 4.39Å; V20-L93 HydrophobicContact CG2-CD1 3.94Å
21I92.7Very high90.8Very high13 Ų1329.9 Ų29.97%0.06716%0.162CC..EExtended strand (participates in β ladder)trans-101.5126.5167.7-63.1-179000108.1P7 D8 Y19 G27 Y29 V343 M350P7-I21 HydrophobicContact CB-CG2 4.43Å; D8-I21 CarbonylContact O-C 3.57Å; D8-I21 WeakPolarHBondContact O-CA 3.32Å; Y19-I21 HydrophobicContact CD2-CG1 4.23Å; Y19-I21 HydrophobicContact CE2-CD1 4.14Å; Y19-I21 HydrophobicContact CE2-CG1 4.14Å; I21-G27 PolarHBondContact N-O 3.46Å; I21-G27 PolarHBondContact O-N 3.3Å; I21-Y29 HydrophobicContact CB-CE2 4.1Å; I21-Y29 HydrophobicContact CD1-CD2 4.18Å; I21-Y29 HydrophobicContact CD1-CE2 3.9Å; I21-Y29 HydrophobicContact CG1-CD2 4.15Å; I21-Y29 HydrophobicContact CG1-CE2 4.05Å; I21-V343 HydrophobicContact CD1-CG2 3.96Å; I21-V343 HydrophobicContact CG1-CG2 4.4Å; I21-M350 HydrophobicContact CD1-CG 3.71Å; I21-M350 HydrophobicContact CD1-SD 3.36Å; I21-M350 WeakPolarHBondContact CD1-SD 3.49Å
22C90.9Very high90.6Very high9 Ų929.7 Ų29.76%0.06117%0.168CC..EExtended strand (participates in β ladder)trans-110.8111.2-178.5-540000109P7 D8 L26 M64 V67P7-C22 CarbonylContact C-O 3.55Å; P7-C22 WeakPolarHBondContact CA-O 3.38Å; D8-C22 HydrophobicContact CB-CB 4.48Å; D8-C22 PolarHBondContact N-O 3.47Å; D8-C22 PolarHBondContact O-N 3.24Å; C22-L26 HydrophobicContact CB-CD2 4.05Å; C22-L26 VanDerWaalsContact SG-CD2 3.58Å; C22-M64 HydrophobicContact CB-CE 3.84Å; C22-M64 HydrophobicContact CB-SD 4.5Å; C22-V67 HydrophobicContact CB-CG2 4.1Å
23D85.7Confident90.3Very high18 Ų1833.7 Ų33.710%0.09620%0.195CC..SBendtrans-135.5-114.4172.6-1701000110.7S5 P7 E25 M64 R348S5-D23 VanDerWaalsContact CB-OD1 3.23Å; S5-D23 WeakPolarHBondContact CB-OD1 3.39Å; S5-D23 PolarHBondContact OG-OD1 3.27Å; P7-D23 HydrophobicContact CB-CB 4.14Å; D23-E25 VanDerWaalsContact C-N 3.26Å; D23-E25 PolarHBondContact N-O 3.36Å; D23-M64 WeakPolarHBondContact O-CE 3.36Å; D23-R348 VanDerWaalsContact CG-NH2 3.27Å; D23-R348 IonicContact OD2-CZ 2.81Å; D23-R348 IonicContact OD2-NE 3.96Å; D23-R348 PolarHBondContact OD2-NE 3.42Å; D23-R348 IonicContact OD2-NH2 3.71Å; D23-R348 PolarHBondContact OD2-NH2 3.35Å
24S84Confident89.8Confident69 Ų6934.5 Ų34.548%0.48320%0.198SC..SBendtrans-75.4-21167.557.20000112.5R348S24-R348 PolarHBondContact OG-NH2 3.48Å
25E88.8Confident88.8Confident61 Ų6134.7 Ų34.729%0.28522%0.218SC..SBendtrans-137.6164.4-179.769.1-159.4143.200109D23 I57 R348D23-E25 VanDerWaalsContact C-N 3.26Å; D23-E25 PolarHBondContact N-O 3.36Å; E25-I57 HydrophobicContact CB-CG2 4.34Å; E25-I57 HydrophobicContact CG-CG2 4.29Å; E25-I57 WeakPolarHBondContact OE2-CG2 3.42Å; E25-R348 IonicContact OE1-NH1 3.28Å; E25-R348 PolarHBondContact OE1-NH1 2.87Å
26L91.3Very high87.3Confident0 Ų036.8 Ų36.80%024%0.237CC..EExtended strand (participates in β ladder)trans-102.4115.8174.2-66.7170.3000109.4V20 C22 I57 N58 M64 V67 L79 V81 T91 L93V20-L26 HydrophobicContact CG1-CD2 4.09Å; C22-L26 HydrophobicContact CB-CD2 4.05Å; C22-L26 VanDerWaalsContact SG-CD2 3.58Å; L26-I57 CarbonylContact O-C 3.37Å; L26-I57 VanDerWaalsContact O-CA 3.29Å; L26-I57 WeakPolarHBondContact O-CA 3.43Å; L26-N58 HydrophobicContact CB-CB 4.4Å; L26-N58 PolarHBondContact N-O 2.9Å; L26-N58 PolarHBondContact O-N 3.28Å; L26-M64 HydrophobicContact CD2-CE 3.77Å; L26-M64 HydrophobicContact CD2-SD 3.63Å; L26-M64 HydrophobicContact CG-CE 4.2Å; L26-M64 HydrophobicContact CG-SD 4.07Å; L26-V67 HydrophobicContact CD2-CG2 4.1Å; L26-L79 HydrophobicContact CD1-CD1 4.05Å; L26-L79 HydrophobicContact CD2-CD1 4.42Å; L26-V81 HydrophobicContact CD1-CG2 3.83Å; L26-T91 HydrophobicContact CD1-CG2 3.77Å; L26-L93 HydrophobicContact CB-CD1 4.08Å
27G91.8Very high85.2Confident4 Ų441 Ų414%0.04126%0.261CS..EExtended strand (participates in β ladder)trans-110.8122.2175.200000111.6V20 I21 Y29V20-G27 CarbonylContact C-O 3.48Å; V20-G27 VanDerWaalsContact CA-O 3.27Å; V20-G27 WeakPolarHBondContact CA-O 3.5Å; I21-G27 PolarHBondContact N-O 3.46Å; I21-G27 PolarHBondContact O-N 3.3Å; G27-Y29 VanDerWaalsContact O-CD2 3.29Å; G27-Y29 WeakPolarHBondContact O-CD2 3.37Å; G27-Y29 WeakPolarHBondContact O-CE2 3.36Å
28L93.1Very high83.4Confident4 Ų445.5 Ų45.52%0.02128%0.281CS..EExtended strand (participates in β ladder)trans-90.8125.4172.9177.867.1000109.9R18 V20 L55 A56 W69 C77 L93R18-L28 HydrophobicContact CB-CD1 4.44Å; V20-L28 HydrophobicContact CG2-CB 4.24Å; V20-L28 HydrophobicContact CG2-CD1 3.63Å; L28-L55 HydrophobicContact CB-CB 4.49Å; L28-L55 HydrophobicContact CD2-CB 4.08Å; L28-L55 HydrophobicContact CD2-CD1 4.2Å; L28-L55 HydrophobicContact CG-CB 4.11Å; L28-L55 HydrophobicContact CG-CD1 4.24Å; L28-L55 PolarHBondContact O-N 3.48Å; L28-A56 HydrophobicContact CB-CB 4.29Å; L28-A56 PolarHBondContact N-O 2.92Å; L28-A56 PolarHBondContact O-N 3.34Å; L28-W69 HydrophobicContact CD1-CH2 3.77Å; L28-W69 HydrophobicContact CD1-CZ2 4.47Å; L28-C77 HydrophobicContact CD2-CB 4.5Å; L28-L93 HydrophobicContact CB-CB 4.14Å; L28-L93 HydrophobicContact CB-CD1 3.91Å; L28-L93 HydrophobicContact CD2-CB 4.06Å
29Y93.1Very high81.6Confident38 Ų3849.7 Ų49.715%0.14931%0.312CS..EExtended strand (participates in β ladder)trans-122.2151180-63-93.7000111R18 Y19 I21 G27 L44 A52 T53 L54 M350R18-Y29 VanDerWaalsContact CA-O 3.3Å; R18-Y29 WeakPolarHBondContact CA-O 3.29Å; Y19-Y29 HydrophobicContact CE2-CD2 4.07Å; Y19-Y29 HydrophobicContact CE2-CG 4.03Å; Y19-Y29 PolarHBondContact N-O 3.08Å; Y19-Y29 PolarHBondContact O-N 3.19Å; I21-Y29 HydrophobicContact CB-CE2 4.1Å; I21-Y29 HydrophobicContact CD1-CD2 4.18Å; I21-Y29 HydrophobicContact CD1-CE2 3.9Å; I21-Y29 HydrophobicContact CG1-CD2 4.15Å; I21-Y29 HydrophobicContact CG1-CE2 4.05Å; G27-Y29 VanDerWaalsContact O-CD2 3.29Å; G27-Y29 WeakPolarHBondContact O-CD2 3.37Å; G27-Y29 WeakPolarHBondContact O-CE2 3.36Å; Y29-L44 HydrophobicContact CE1-CD1 4.3Å; Y29-A52 HydrophobicContact CD1-CB 4.31Å; Y29-T53 CarbonylContact C-O 3.5Å; Y29-T53 WeakPolarHBondContact CA-O 3.29Å; Y29-L54 HydrophobicContact CD1-CB 4.14Å; Y29-L54 HydrophobicContact CD1-CD1 4.09Å; Y29-L54 HydrophobicContact CE1-CB 3.94Å; Y29-L54 HydrophobicContact CE1-CD1 3.6Å; Y29-L54 HydrophobicContact CE1-CG 4.36Å; Y29-L54 HydrophobicContact CE2-CD1 4.11Å; Y29-M350 HydrophobicContact CD1-CE 3.95Å; Y29-M350 HydrophobicContact CD1-SD 4.39Å; Y29-M350 HydrophobicContact CE1-CE 3.78Å; Y29-M350 HydrophobicContact CE1-SD 4.49Å; Y29-M350 HydrophobicContact CG-SD 4.47Å
30S92.6Very high80.3Confident25 Ų2555.5 Ų55.518%0.17534%0.337CS..EExtended strand (participates in β ladder)trans-118.8133.9167.6170.80000110.4D17 A52 T53D17-S30 CarbonylContact O-C 3.56Å; D17-S30 WeakPolarHBondContact O-CA 3.31Å; D17-S30 PolarHBondContact OD2-OG 2.99Å; S30-A52 CarbonylContact O-C 3.13Å; S30-A52 WeakPolarHBondContact O-CA 3.3Å; S30-T53 PolarHBondContact N-O 3.46Å; S30-T53 PolarHBondContact O-N 3.45Å
31I92.3Very high78.9Confident13 Ų1361.5 Ų61.57%0.06738%0.377CS..EExtended strand (participates in β ladder)trans-95.8136.9178.1-163.4158.4000110.7W11 D17 Y19 L46 A51 V341 D352W11-I31 HydrophobicContact CH2-CG2 3.7Å; W11-I31 HydrophobicContact CZ3-CG2 4.26Å; D17-I31 HydrophobicContact CB-CG2 4.46Å; D17-I31 WeakPolarHBondContact O-CG2 3.13Å; D17-I31 PolarHBondContact O-N 2.77Å; Y19-I31 HydrophobicContact CE1-CB 4.18Å; I31-L46 HydrophobicContact CD1-CD1 3.27Å; I31-L46 HydrophobicContact CG1-CD1 3.61Å; I31-A51 WeakPolarHBondContact CA-O 3.47Å; I31-V341 HydrophobicContact CD1-CG2 4Å; I31-D352 HydrophobicContact CD1-CB 4.45Å
32G89.5Confident77.9Confident25 Ų2562.9 Ų62.926%0.25839%0.394SS..EExtended strand (participates in β ladder)trans-156.5175177.500000112.6T50 A51G32-T50 CarbonylContact O-C 3.53Å; G32-T50 WeakPolarHBondContact O-CA 3.49Å; G32-A51 PolarHBondContact N-O 2.91Å; G32-A51 PolarHBondContact O-N 3.38Å
33P86.3Confident77.6Confident89 Ų8965.1 Ų65.158%0.57841%0.407SS*.EExtended strand (participates in β ladder)trans-70.4148.4178.328.9-33.7000112.1G35 E49P33-G35 PolarHBondContact O-N 2.73Å; P33-E49 CarbonylContact C-O 3.54Å; P33-E49 VanDerWaalsContact CA-O 3.28Å; P33-E49 WeakPolarHBondContact CA-O 3.29Å
34V78Confident77.6Confident86 Ų8668.3 Ų68.352%0.52142%0.424SS..THydrogen-bonded Turntrans-66.9110.7171.8177.20000108.2E49 A51V34-E49 PolarHBondContact N-O 2.93Å; V34-A51 HydrophobicContact CG2-CB 4.17Å
35G63.9Low77.8Confident70 Ų7069.4 Ų69.472%0.72243%0.432SS*.THydrogen-bonded Turntrans116.59.2176.700000117P33P33-G35 PolarHBondContact O-N 2.73Å
36S56.9Low77.8Confident82 Ų8267 Ų6757%0.57342%0.421SS*.  trans-60.7140.2163.7620000110.3E38S36-E38 PolarHBondContact O-N 2.86Å
37T46.6Very low77.6Confident145 Ų14568.9 Ų68.989%0.8943%0.434SS*.SBendtrans-63.29.4-150.136.20000119.5
38E52.3Low77.3Confident151 Ų15177.8 Ų77.871%0.70647%0.474SS*.SBendtrans-148117.2169.6-67.3-175.6162.100109.5S36 K40S36-E38 PolarHBondContact O-N 2.86Å; E38-K40 VanDerWaalsContact C-N 3.28Å; E38-K40 PolarHBondContact O-N 3.47Å
39T56.6Low77Confident141 Ų14185 Ų8587%0.86551%0.508SS*.  trans-68.987.3170.939.60000109.3
40K66.3Low76.9Confident122 Ų12283.9 Ų83.953%0.5351%0.505SS..  trans-59.3140.8177.2-68.3-179.5-179.7178.30109.9E38 G42 T43 T53E38-K40 VanDerWaalsContact C-N 3.28Å; E38-K40 PolarHBondContact O-N 3.47Å; K40-G42 PolarHBondContact O-N 3.22Å; K40-T43 PolarHBondContact O-N 3.1Å; K40-T43 PolarHBondContact O-OG1 2.87Å; K40-T43 VanDerWaalsContact O-OG1 3.05Å; K40-T53 HydrophobicContact CB-CG2 3.97Å; K40-T53 HydrophobicContact CD-CG2 4.25Å
41P64.7Low76.8Confident127 Ų12783.2 Ų83.283%0.82550%0.501SS*.THydrogen-bonded Turntrans-59.4131.6175.823.9-32000110.1
42G71.9Confident76.8Confident42 Ų4282.6 Ų82.643%0.43350%0.498SS..THydrogen-bonded Turntrans9414.3-177.800000115.8K40 L54K40-G42 PolarHBondContact O-N 3.22Å; G42-L54 PolarHBondContact O-N 3.46Å
43T83.1Confident76.9Confident55 Ų5582.9 Ų82.934%0.33750%0.495SS..EExtended strand (participates in β ladder)trans-77.6131.2170.9-58.10000112.1K40 A51 A52 T53K40-T43 PolarHBondContact O-N 3.1Å; K40-T43 PolarHBondContact O-OG1 2.87Å; K40-T43 VanDerWaalsContact O-OG1 3.05Å; T43-A51 HydrophobicContact CG2-CB 3.68Å; T43-A52 CarbonylContact C-O 3.45Å; T43-A52 VanDerWaalsContact CA-O 3.26Å; T43-A52 WeakPolarHBondContact CA-O 3.44Å; T43-T53 PolarHBondContact OG1-OG1 3.41Å
44L86.3Confident77.2Confident86 Ų8681.1 Ų81.145%0.4548%0.48SS..EExtended strand (participates in β ladder)trans-116.6127.9178.7-63.8167.9000109.1Y29 A51 A52 M350Y29-L44 HydrophobicContact CE1-CD1 4.3Å; L44-A51 CarbonylContact O-C 3.55Å; L44-A51 WeakPolarHBondContact O-CA 3.43Å; L44-A52 PolarHBondContact N-O 2.94Å; L44-A52 PolarHBondContact O-N 3.17Å; L44-M350 HydrophobicContact CB-CE 4.2Å; L44-M350 HydrophobicContact CD1-CE 3.39Å; L44-M350 HydrophobicContact CG-CE 4.42Å
45S87.8Confident77.7Confident92 Ų9279.6 Ų79.664%0.64347%0.469SS*.EExtended strand (participates in β ladder)trans-68.4134.2174.1172.80000110.2S47S45-S47 PolarHBondContact OG-O 3.24Å
46L89Confident78.9Confident11 Ų1177.5 Ų77.56%0.05845%0.445CS..  trans-107.9-33.3178.4-58.7178.9000112.5I31 T50 A52 M350 D352I31-L46 HydrophobicContact CD1-CD1 3.27Å; I31-L46 HydrophobicContact CG1-CD1 3.61Å; L46-T50 PolarHBondContact N-O 3.47Å; L46-A52 HydrophobicContact CD1-CB 3.9Å; L46-A52 HydrophobicContact CD2-CB 3.79Å; L46-A52 HydrophobicContact CG-CB 3.91Å; L46-M350 HydrophobicContact CD2-CB 3.29Å; L46-M350 HydrophobicContact CD2-CE 4.32Å; L46-M350 HydrophobicContact CD2-CG 4.42Å; L46-M350 HydrophobicContact CD2-SD 4.37Å; L46-D352 HydrophobicContact CB-CB 3.7Å; L46-D352 HydrophobicContact CD1-CB 4.19Å; L46-D352 PolarHBondContact O-N 3.49Å
47S88.4Confident80.5Confident38 Ų3877.8 Ų77.827%0.26644%0.439SS..SBendtrans-154.3-176.4175.973.70000109.7S45 E49 T50S45-S47 PolarHBondContact OG-O 3.24Å; S47-E49 PolarHBondContact O-N 3.02Å; S47-E49 PolarHBondContact OG-N 3.43Å; S47-T50 PolarHBondContact N-O 3.33Å; S47-T50 VanDerWaalsContact N-O 3.09Å; S47-T50 PolarHBondContact OG-N 2.94Å; S47-T50 PolarHBondContact OG-OG1 3.45Å
48E85.1Confident82.5Confident191 Ų19171.9 Ų71.989%0.89340%0.402SS*.SBendtrans-61.9-29.9172.1-64.2-173.4171.600112.5
49E86.4Confident84.1Confident155 Ų15568.6 Ų68.672%0.72440%0.396SS*.SBendtrans-103-21.6-174.2-63-177.6178.500113.2P33 V34 S47P33-E49 CarbonylContact C-O 3.54Å; P33-E49 VanDerWaalsContact CA-O 3.28Å; P33-E49 WeakPolarHBondContact CA-O 3.29Å; V34-E49 PolarHBondContact N-O 2.93Å; S47-E49 PolarHBondContact O-N 3.02Å; S47-E49 PolarHBondContact OG-N 3.43Å
50T90.8Very high85.2Confident16 Ų1668.4 Ų68.410%0.09839%0.389CS..EExtended strand (participates in β ladder)trans-130.6147.9-168.464.10000114.3G32 L46 S47 D352G32-T50 CarbonylContact O-C 3.53Å; G32-T50 WeakPolarHBondContact O-CA 3.49Å; L46-T50 PolarHBondContact N-O 3.47Å; S47-T50 PolarHBondContact N-O 3.33Å; S47-T50 VanDerWaalsContact N-O 3.09Å; S47-T50 PolarHBondContact OG-N 2.94Å; S47-T50 PolarHBondContact OG-OG1 3.45Å; T50-D352 WeakPolarHBondContact CB-OD2 3.4Å; T50-D352 VanDerWaalsContact CG2-OD2 3.32Å; T50-D352 WeakPolarHBondContact CG2-OD2 3.32Å; T50-D352 WeakPolarHBondContact OG1-CB 3.32Å; T50-D352 PolarHBondContact OG1-OD2 3.48Å
51A91.4Very high85.8Confident11 Ų1163 Ų639%0.09137%0.366CS..EExtended strand (participates in β ladder)trans-138.6148.9178.200000111.7I31 G32 V34 T43 L44I31-A51 WeakPolarHBondContact CA-O 3.47Å; G32-A51 PolarHBondContact N-O 2.91Å; G32-A51 PolarHBondContact O-N 3.38Å; V34-A51 HydrophobicContact CG2-CB 4.17Å; T43-A51 HydrophobicContact CG2-CB 3.68Å; L44-A51 CarbonylContact O-C 3.55Å; L44-A51 WeakPolarHBondContact O-CA 3.43Å
52A92.3Very high86.4Confident0 Ų060.3 Ų60.30%035%0.349CS..EExtended strand (participates in β ladder)trans-100.1129.5173.800000110.3Y19 Y29 S30 T43 L44 L46 M350Y19-A52 VanDerWaalsContact OH-CB 3.27Å; Y19-A52 WeakPolarHBondContact OH-CB 3.41Å; Y29-A52 HydrophobicContact CD1-CB 4.31Å; S30-A52 CarbonylContact O-C 3.13Å; S30-A52 WeakPolarHBondContact O-CA 3.3Å; T43-A52 CarbonylContact C-O 3.45Å; T43-A52 VanDerWaalsContact CA-O 3.26Å; T43-A52 WeakPolarHBondContact CA-O 3.44Å; L44-A52 PolarHBondContact N-O 2.94Å; L44-A52 PolarHBondContact O-N 3.17Å; L46-A52 HydrophobicContact CD1-CB 3.9Å; L46-A52 HydrophobicContact CD2-CB 3.79Å; L46-A52 HydrophobicContact CG-CB 3.91Å; A52-M350 HydrophobicContact CB-CE 3.85Å; A52-M350 HydrophobicContact CB-SD 4.36Å
53T91.3Very high87Confident30 Ų3067.2 Ų67.218%0.18436%0.363CS..EExtended strand (participates in β ladder)trans-106.9124.2172.4-57.50000109.6Y29 S30 K40 T43 L55Y29-T53 CarbonylContact C-O 3.5Å; Y29-T53 WeakPolarHBondContact CA-O 3.29Å; S30-T53 PolarHBondContact N-O 3.46Å; S30-T53 PolarHBondContact O-N 3.45Å; K40-T53 HydrophobicContact CB-CG2 3.97Å; K40-T53 HydrophobicContact CD-CG2 4.25Å; T43-T53 PolarHBondContact OG1-OG1 3.41Å; T53-L55 PolarHBondContact O-N 2.88Å
54L91.2Very high87.3Confident53 Ų5365.8 Ų65.828%0.27735%0.353SS..EExtended strand (participates in β ladder)trans-68.9126.9173.617970.6000110.4Y29 G42 I57Y29-L54 HydrophobicContact CD1-CB 4.14Å; Y29-L54 HydrophobicContact CD1-CD1 4.09Å; Y29-L54 HydrophobicContact CE1-CB 3.94Å; Y29-L54 HydrophobicContact CE1-CD1 3.6Å; Y29-L54 HydrophobicContact CE1-CG 4.36Å; Y29-L54 HydrophobicContact CE2-CD1 4.11Å; G42-L54 PolarHBondContact O-N 3.46Å; L54-I57 HydrophobicContact CD1-CD1 4.25Å; L54-I57 HydrophobicContact CD1-CG1 3.81Å; L54-I57 HydrophobicContact CD2-CD1 3.59Å; L54-I57 HydrophobicContact CD2-CG1 3.94Å; L54-I57 HydrophobicContact CG-CD1 4.47Å; L54-I57 HydrophobicContact CG-CG1 4.31Å
55L89.8Confident87.6Confident54 Ų5466.6 Ų66.628%0.28335%0.353SS..EExtended strand (participates in β ladder)trans-104.1-39.8-179-61.5-176.5000113.3L28 T53L28-L55 HydrophobicContact CB-CB 4.49Å; L28-L55 HydrophobicContact CD2-CB 4.08Å; L28-L55 HydrophobicContact CD2-CD1 4.2Å; L28-L55 HydrophobicContact CG-CB 4.11Å; L28-L55 HydrophobicContact CG-CD1 4.24Å; L28-L55 PolarHBondContact O-N 3.48Å; T53-L55 PolarHBondContact O-N 2.88Å
56A89.6Confident87.8Confident26 Ų2663.1 Ų63.122%0.21533%0.328CS..EExtended strand (participates in β ladder)trans-158152-178.300000111.5L28 L93L28-A56 HydrophobicContact CB-CB 4.29Å; L28-A56 PolarHBondContact N-O 2.92Å; L28-A56 PolarHBondContact O-N 3.34Å; A56-L93 HydrophobicContact CB-CB 4.26Å; A56-L93 HydrophobicContact CB-CD2 4.29Å
57I89.9Confident88.1Confident88 Ų8863.6 Ų63.645%0.45133%0.332SS..EExtended strand (participates in β ladder)trans-128.7137171.9-62.8175.3000108.8E25 L26 L54E25-I57 HydrophobicContact CB-CG2 4.34Å; E25-I57 HydrophobicContact CG-CG2 4.29Å; E25-I57 WeakPolarHBondContact OE2-CG2 3.42Å; L26-I57 CarbonylContact O-C 3.37Å; L26-I57 VanDerWaalsContact O-CA 3.29Å; L26-I57 WeakPolarHBondContact O-CA 3.43Å; L54-I57 HydrophobicContact CD1-CD1 4.25Å; L54-I57 HydrophobicContact CD1-CG1 3.81Å; L54-I57 HydrophobicContact CD2-CD1 3.59Å; L54-I57 HydrophobicContact CD2-CG1 3.94Å; L54-I57 HydrophobicContact CG-CD1 4.47Å; L54-I57 HydrophobicContact CG-CG1 4.31Å
58N88.6Confident88.4Confident21 Ų2162.2 Ų62.211%0.11232%0.323CS..EExtended strand (participates in β ladder)trans-122.4123.9166.9-173.1-34.5000110.2L26 D60 T91 L93L26-N58 HydrophobicContact CB-CB 4.4Å; L26-N58 PolarHBondContact N-O 2.9Å; L26-N58 PolarHBondContact O-N 3.28Å; N58-D60 PolarHBondContact OD1-N 3.5Å; N58-T91 PolarHBondContact ND2-OG1 2.95Å; N58-L93 HydrophobicContact CB-CD2 3.51Å
59S85.8Confident88.8Confident82 Ų8254.4 Ų54.457%0.57329%0.285SS*.  trans-114.31.2179.363.30000113.6T61S59-T61 PolarHBondContact O-N 3.31Å
60D79.9Confident89.1Confident136 Ų13647.5 Ų47.573%0.72725%0.252SS*.  trans-81.83.6-173-61.4-34.9000113.3N58 P62N58-D60 PolarHBondContact OD1-N 3.5Å; D60-P62 VanDerWaalsContact C-CD 3.45Å; D60-P62 WeakPolarHBondContact O-CD 3.39Å
61T79.4Confident89.1Confident8 Ų848.1 Ų48.15%0.04926%0.256CS..  trans-111.977-18056.60000111.5S59 V81S59-T61 PolarHBondContact O-N 3.31Å; T61-V81 HydrophobicContact CG2-CG2 4.48Å
62P77Confident88.9Confident71 Ų7152.3 Ų52.346%0.46127%0.273SS..THydrogen-bonded Turntrans-68.4154.5-179.630.3-36.3000111.7D60 M64D60-P62 VanDerWaalsContact C-CD 3.45Å; D60-P62 WeakPolarHBondContact O-CD 3.39Å; P62-M64 VanDerWaalsContact C-N 3.32Å; P62-M64 PolarHBondContact O-N 3.34Å
63Y84Confident88.5Confident187 Ų18757.1 Ų57.173%0.73330%0.295SS*.THydrogen-bonded Turntrans59.634.3175.9-46.8-71.4000115.4A84Y63-A84 PolarHBondContact O-N 3.45Å; Y63-A84 VanDerWaalsContact O-N 3.1Å
64M90.3Very high88Confident25 Ų2561.4 Ų61.412%0.12331%0.313CS..EExtended strand (participates in β ladder)trans-57.4138.1172.8177.9163.76900112.2C22 D23 L26 P62 V67 V81C22-M64 HydrophobicContact CB-CE 3.84Å; C22-M64 HydrophobicContact CB-SD 4.5Å; D23-M64 WeakPolarHBondContact O-CE 3.36Å; L26-M64 HydrophobicContact CD2-CE 3.77Å; L26-M64 HydrophobicContact CD2-SD 3.63Å; L26-M64 HydrophobicContact CG-CE 4.2Å; L26-M64 HydrophobicContact CG-SD 4.07Å; P62-M64 VanDerWaalsContact C-N 3.32Å; P62-M64 PolarHBondContact O-N 3.34Å; M64-V67 HydrophobicContact CE-CG2 4.37Å; M64-V67 HydrophobicContact CG-CG2 3.92Å; M64-V67 HydrophobicContact SD-CG2 3.2Å; M64-V67 WeakPolarHBondContact SD-CG2 3.3Å; M64-V81 HydrophobicContact CB-CG1 4.01Å; M64-V81 HydrophobicContact CG-CG1 3.68Å; M64-V81 HydrophobicContact SD-CG1 3.76Å; M64-V81 HydrophobicContact SD-CG2 4.47Å
65K91.5Very high87.5Confident104 Ų10459.1 Ų59.145%0.45230%0.301SS..EExtended strand (participates in β ladder)trans-123.4-39.4179.6-67.8-66-176.4175.50113.2G82 A84 Q116 C117K65-G82 PolarHBondContact N-O 3.4Å; K65-A84 HydrophobicContact CG-CB 4.2Å; K65-Q116 HydrophobicContact CD-CG 4.31Å; K65-Q116 HydrophobicContact CG-CG 4.02Å; K65-C117 WeakPolarHBondContact CB-O 3.42Å
66C92.4Very high87.2Confident18 Ų1857.9 Ų57.912%0.12229%0.294CS..EExtended strand (participates in β ladder)trans-148.6155.217853.70000110.2G82 C117 T119C66-G82 PolarHBondContact N-O 3.25Å; C66-G82 PolarHBondContact O-N 3.27Å; C66-C117 PolarHBondContact SG-O 3.46Å; C66-C117 VanDerWaalsContact SG-SG 3.63Å; C66-T119 PolarHBondContact SG-N 3.23Å
67V95Very high87.1Confident22 Ų2257 Ų5713%0.13329%0.286CS..EExtended strand (participates in β ladder)trans-136.3142.5-178.3-176.80000108.9L10 C22 L26 M64 L79 A80L10-V67 HydrophobicContact CD1-CB 4.08Å; L10-V67 HydrophobicContact CD1-CG1 4.11Å; C22-V67 HydrophobicContact CB-CG2 4.1Å; L26-V67 HydrophobicContact CD2-CG2 4.1Å; M64-V67 HydrophobicContact CE-CG2 4.37Å; M64-V67 HydrophobicContact CG-CG2 3.92Å; M64-V67 HydrophobicContact SD-CG2 3.2Å; M64-V67 WeakPolarHBondContact SD-CG2 3.3Å; V67-L79 HydrophobicContact CG1-CB 4.29Å; V67-L79 HydrophobicContact CG1-CD2 4.35Å; V67-A80 CarbonylContact C-O 3.58Å; V67-A80 VanDerWaalsContact CA-O 3.28Å; V67-A80 WeakPolarHBondContact CA-O 3.39Å
68A94.6Very high87.2Confident9 Ų952.8 Ų52.87%0.07427%0.265CS..EExtended strand (participates in β ladder)trans-133.3131.4170.400000110.5A80 L120A68-A80 PolarHBondContact N-O 3.37Å; A68-A80 PolarHBondContact O-N 2.9Å; A68-L120 HydrophobicContact CB-CB 3.7Å
69W94.1Very high87.4Confident27 Ų2751.8 Ų51.810%0.10226%0.259CS..EExtended strand (participates in β ladder)trans-82.3136.5179.4-157.2-51.5000110.9P13 V20 L28 C77 L79P13-W69 HydrophobicContact CG-CG 4.29Å; V20-W69 HydrophobicContact CB-CE3 4.3Å; V20-W69 HydrophobicContact CB-CH2 4.41Å; V20-W69 HydrophobicContact CB-CZ3 3.68Å; V20-W69 HydrophobicContact CG2-CE3 4.07Å; V20-W69 HydrophobicContact CG2-CH2 3.5Å; V20-W69 VanDerWaalsContact CG2-CH2 3.5Å; V20-W69 HydrophobicContact CG2-CZ3 3.23Å; L28-W69 HydrophobicContact CD1-CH2 3.77Å; L28-W69 HydrophobicContact CD1-CZ2 4.47Å; W69-C77 HydrophobicContact CZ2-CB 4.34Å; W69-L79 HydrophobicContact CB-CD2 3.89Å; W69-L79 HydrophobicContact CD2-CD2 3.57Å; W69-L79 HydrophobicContact CE3-CD2 3.86Å; W69-L79 HydrophobicContact CG-CD2 3.61Å
70Y93.3Very high87.9Confident10 Ų1047.9 Ų47.94%0.03923%0.232CC..  trans-60.1126.8173.9-170.1-119.9000113.3K72 E74 L78 W122 S127 I148Y70-K72 HydrophobicContact CD1-CB 4.18Å; Y70-K72 WeakPolarHBondContact CD1-O 3.25Å; Y70-K72 HydrophobicContact CE1-CB 3.55Å; Y70-K72 HydrophobicContact CE1-CG 4.29Å; Y70-K72 PolarHBondContact O-N 3.25Å; Y70-E74 WeakPolarHBondContact CE1-O 3.43Å; Y70-L78 WeakPolarHBondContact CB-O 3.35Å; Y70-L78 HydrophobicContact CD1-CB 4.4Å; Y70-L78 HydrophobicContact CD1-CD2 4.31Å; Y70-L78 HydrophobicContact CD2-CD2 4.01Å; Y70-L78 HydrophobicContact CE2-CD2 4.5Å; Y70-L78 HydrophobicContact CG-CB 4.2Å; Y70-L78 HydrophobicContact CG-CD2 3.92Å; Y70-L78 PolarHBondContact N-O 3.39Å; Y70-W122 AromaticContact CD2-CD2 3.88Å; Y70-W122 HydrophobicContact CD2-CD2 3.88Å; Y70-W122 AromaticContact CD2-CE2 3.76Å; Y70-W122 AromaticContact CD2-CE3 3.76Å; Y70-W122 HydrophobicContact CD2-CE3 3.76Å; Y70-W122 AromaticContact CD2-CH2 3.33Å; Y70-W122 HydrophobicContact CD2-CH2 3.33Å; Y70-W122 AromaticContact CD2-CZ2 3.48Å; Y70-W122 HydrophobicContact CD2-CZ2 3.48Å; Y70-W122 VanDerWaalsContact CD2-CZ2 3.48Å; Y70-W122 AromaticContact CD2-CZ3 3.54Å; Y70-W122 HydrophobicContact CD2-CZ3 3.54Å; Y70-W122 HydrophobicContact CE2-CD2 4.44Å; Y70-W122 AromaticContact CE2-CE3 3.86Å; Y70-W122 HydrophobicContact CE2-CE3 3.86Å; Y70-W122 AromaticContact CE2-CH2 3.35Å; Y70-W122 HydrophobicContact CE2-CH2 3.35Å; Y70-W122 HydrophobicContact CE2-CZ2 4.02Å; Y70-W122 AromaticContact CE2-CZ3 3.33Å; Y70-W122 HydrophobicContact CE2-CZ3 3.33Å; Y70-S127 WeakPolarHBondContact CE2-O 3.28Å; Y70-S127 PolarHBondContact OH-O 3.28Å; Y70-I148 HydrophobicContact CE2-CD1 4.35Å
71P89.8Confident88.6Confident28 Ų2841.4 Ų41.418%0.18220%0.197CC..SBendtrans-83.6-1.1-170.231.4-36.1000115H14 W122 N123H14-P71 PolarHBondContact CE1-O 3.03Å; H14-P71 PolarHBondContact NE2-O 3.45Å; P71-W122 HydrophobicContact CG-CB 4.03Å; P71-N123 WeakPolarHBondContact CG-O 3.23Å
72K87.1Confident89.3Confident99 Ų9941 Ų4143%0.4320%0.195SC..SBendtrans-105.3157.8171.7-62.9179.4175.2170.60112H14 Y70 E74 S127H14-K72 PolarHBondContact CD2-O 3.44Å; H14-K72 WeakPolarHBondContact NE2-CA 3.48Å; H14-K72 PolarHBondContact NE2-N 3.41Å; H14-K72 PolarHBondContact NE2-O 3.48Å; H14-K72 VanDerWaalsContact NE2-O 3.12Å; Y70-K72 HydrophobicContact CD1-CB 4.18Å; Y70-K72 WeakPolarHBondContact CD1-O 3.25Å; Y70-K72 HydrophobicContact CE1-CB 3.55Å; Y70-K72 HydrophobicContact CE1-CG 4.29Å; Y70-K72 PolarHBondContact O-N 3.25Å; K72-E74 VanDerWaalsContact C-N 3.31Å; K72-E74 PolarHBondContact O-N 2.98Å; K72-S127 VanDerWaalsContact CE-OG 3.29Å; K72-S127 WeakPolarHBondContact CE-OG 3.28Å; K72-S127 WeakPolarHBondContact CG-OG 3.4Å
73H83.4Confident90.1Very high102 Ų10238.8 Ų38.847%0.47218%0.179SC..SBendtrans-63.9-35.7-178.1-172.5-82000112.5H14 H15H14-H73 PolarHBondContact NE2-N 3.25Å; H15-H73 AromaticContact CE1-NE2 3.53Å; H15-H73 AromaticContact NE2-NE2 3.67Å
74E81.4Confident90.5Very high119 Ų11931.7 Ų31.756%0.55616%0.159SC*.SBendtrans-121.4134.3177.2-66.8-165.3177.600111.8Y70 K72 N98Y70-E74 WeakPolarHBondContact CE1-O 3.43Å; K72-E74 VanDerWaalsContact C-N 3.31Å; K72-E74 PolarHBondContact O-N 2.98Å; E74-N98 PolarHBondContact OE2-ND2 2.99Å; E74-N98 VanDerWaalsContact OE2-ND2 3.15Å
75P81.6Confident90.6Very high6 Ų633.2 Ų33.24%0.03917%0.167CC..SBendcis-71.5143.4-0.828-35.7000114L78 C101 L104P75-L78 HydrophobicContact CG-CB 3.95Å; P75-L78 HydrophobicContact CG-CD1 4.46Å; P75-L78 HydrophobicContact CG-CD2 3.74Å; P75-L78 HydrophobicContact CG-CG 4.26Å; P75-C101 HydrophobicContact CB-CB 3.65Å; P75-L104 HydrophobicContact CG-CD1 4.13Å
76E83.3Confident90.7Very high28 Ų2828.3 Ų28.313%0.13115%0.146CC..THydrogen-bonded Turntrans-62.8135.8-175.8-170.1-179.5-177.500111.4R18 L78 S92 N96R18-E76 IonicContact CZ-OE1 2.71Å; R18-E76 IonicContact NH1-OE1 3.74Å; R18-E76 PolarHBondContact NH1-OE1 3.09Å; R18-E76 IonicContact NH2-OE1 3.88Å; E76-L78 PolarHBondContact O-N 3.47Å; E76-S92 PolarHBondContact O-OG 3.16Å; E76-N96 PolarHBondContact OE2-ND2 3.4Å
77C86.5Confident90.8Very high7 Ų732.2 Ų32.25%0.04716%0.158CC..THydrogen-bonded Turntrans50.433.8175.4-67.10000114.8L28 W69 S92 L93L28-C77 HydrophobicContact CD2-CB 4.5Å; W69-C77 HydrophobicContact CZ2-CB 4.34Å; C77-S92 WeakPolarHBondContact O-CA 3.46Å; C77-L93 HydrophobicContact CB-CB 4.16Å; C77-L93 PolarHBondContact O-N 3.38Å; C77-L93 VanDerWaalsContact O-N 3.11Å
78L91.7Very high90.8Very high0 Ų031.2 Ų31.20%015%0.152CC..EExtended strand (participates in β ladder)trans-73.5132172.1-174.677000110.5Y70 P75 E76 L90 L104 V105Y70-L78 WeakPolarHBondContact CB-O 3.35Å; Y70-L78 HydrophobicContact CD1-CB 4.4Å; Y70-L78 HydrophobicContact CD1-CD2 4.31Å; Y70-L78 HydrophobicContact CD2-CD2 4.01Å; Y70-L78 HydrophobicContact CE2-CD2 4.5Å; Y70-L78 HydrophobicContact CG-CB 4.2Å; Y70-L78 HydrophobicContact CG-CD2 3.92Å; Y70-L78 PolarHBondContact N-O 3.39Å; P75-L78 HydrophobicContact CG-CB 3.95Å; P75-L78 HydrophobicContact CG-CD1 4.46Å; P75-L78 HydrophobicContact CG-CD2 3.74Å; P75-L78 HydrophobicContact CG-CG 4.26Å; E76-L78 PolarHBondContact O-N 3.47Å; L78-L90 HydrophobicContact CD1-CB 4.35Å; L78-L104 HydrophobicContact CD2-CD1 4.2Å; L78-V105 HydrophobicContact CD1-CG2 4.07Å
79L93.8Very high90.8Very high0 Ų031.5 Ų31.50%015%0.153CC..EExtended strand (participates in β ladder)trans-127.9141.3-178.6-59.7175.4000109.6V20 L26 V67 W69 L90 T91 L93V20-L79 HydrophobicContact CG1-CD1 4.21Å; V20-L79 HydrophobicContact CG2-CD1 4.32Å; L26-L79 HydrophobicContact CD1-CD1 4.05Å; L26-L79 HydrophobicContact CD2-CD1 4.42Å; V67-L79 HydrophobicContact CG1-CB 4.29Å; V67-L79 HydrophobicContact CG1-CD2 4.35Å; W69-L79 HydrophobicContact CB-CD2 3.89Å; W69-L79 HydrophobicContact CD2-CD2 3.57Å; W69-L79 HydrophobicContact CE3-CD2 3.86Å; W69-L79 HydrophobicContact CG-CD2 3.61Å; L79-L90 WeakPolarHBondContact O-CA 3.22Å; L79-T91 HydrophobicContact CB-CG2 4.04Å; L79-T91 PolarHBondContact N-O 3.34Å; L79-T91 PolarHBondContact O-N 3.34Å; L79-L93 HydrophobicContact CD1-CD1 3.67Å; L79-L93 HydrophobicContact CD1-CG 4.25Å
80A95.1Very high90.7Very high0 Ų030.2 Ų30.20%015%0.149CC..EExtended strand (participates in β ladder)trans-99.9129.2166.200000109.3V67 A68 V88 L90 L120 L130V67-A80 CarbonylContact C-O 3.58Å; V67-A80 VanDerWaalsContact CA-O 3.28Å; V67-A80 WeakPolarHBondContact CA-O 3.39Å; A68-A80 PolarHBondContact N-O 3.37Å; A68-A80 PolarHBondContact O-N 2.9Å; A80-V88 HydrophobicContact CB-CG1 4.17Å; A80-L90 HydrophobicContact CB-CD2 3.74Å; A80-L120 HydrophobicContact CB-CD1 4.15Å; A80-L120 WeakPolarHBondContact O-CD1 3.27Å; A80-L130 HydrophobicContact CB-CD1 4.12Å; A80-L130 HydrophobicContact CB-CD2 3.66Å
81V95.6Very high90.6Very high0 Ų030.2 Ų30.20%015%0.149CC..EExtended strand (participates in β ladder)trans-117.4117.2-177-178.80000109.8L26 T61 M64 V88 V89 T91L26-V81 HydrophobicContact CD1-CG2 3.83Å; T61-V81 HydrophobicContact CG2-CG2 4.48Å; M64-V81 HydrophobicContact CB-CG1 4.01Å; M64-V81 HydrophobicContact CG-CG1 3.68Å; M64-V81 HydrophobicContact SD-CG1 3.76Å; M64-V81 HydrophobicContact SD-CG2 4.47Å; V81-V88 CarbonylContact O-C 3.58Å; V81-V88 WeakPolarHBondContact O-CA 3.48Å; V81-V89 PolarHBondContact N-O 2.98Å; V81-V89 PolarHBondContact O-N 3.47Å; V81-T91 HydrophobicContact CG2-CG2 3.77Å
82G94.9Very high90.6Very high0 Ų029.9 Ų29.90%015%0.148CC..EExtended strand (participates in β ladder)trans-90.9130.9176.200000110.7K65 C66 L120K65-G82 PolarHBondContact N-O 3.4Å; C66-G82 PolarHBondContact N-O 3.25Å; C66-G82 PolarHBondContact O-N 3.27Å; G82-L120 VanDerWaalsContact N-CD1 3.26Å
83Q93.8Very high90.7Very high24 Ų2425.6 Ų25.611%0.11213%0.13CC..EExtended strand (participates in β ladder)trans-104.7164.5-175-65-179.3200113N85 G86 R87 C117Q83-N85 VanDerWaalsContact CB-OD1 3.31Å; Q83-N85 WeakPolarHBondContact CB-OD1 3.29Å; Q83-N85 PolarHBondContact O-N 3.05Å; Q83-N85 PolarHBondContact OE1-ND2 3.35Å; Q83-N85 PolarHBondContact OE1-OD1 3.43Å; Q83-G86 PolarHBondContact O-N 3.23Å; Q83-R87 PolarHBondContact N-O 3.35Å; Q83-C117 PolarHBondContact O-N 2.9Å
84A92.4Very high90.4Very high38 Ų3821.2 Ų21.231%0.31411%0.112SC..THydrogen-bonded Turntrans-61.5-21.6177.200000114.8Y63 K65 R115 Q116Y63-A84 PolarHBondContact O-N 3.45Å; Y63-A84 VanDerWaalsContact O-N 3.1Å; K65-A84 HydrophobicContact CG-CB 4.2Å; A84-R115 CarbonylContact O-C 3.54Å; A84-Q116 VanDerWaalsContact O-CA 3.25Å; A84-Q116 WeakPolarHBondContact O-CA 3.4Å; A84-Q116 PolarHBondContact O-N 2.58Å
85N92.5Very high89.9Confident56 Ų5622.7 Ų22.730%0.29912%0.119SC..THydrogen-bonded Turntrans-90.9-1.9175.462.810.7000113Q83 R87 A114 R115Q83-N85 VanDerWaalsContact CB-OD1 3.31Å; Q83-N85 WeakPolarHBondContact CB-OD1 3.29Å; Q83-N85 PolarHBondContact O-N 3.05Å; Q83-N85 PolarHBondContact OE1-ND2 3.35Å; Q83-N85 PolarHBondContact OE1-OD1 3.43Å; N85-R87 WeakPolarHBondContact OD1-CB 3.37Å; N85-R87 WeakPolarHBondContact OD1-CG 3.48Å; N85-R87 PolarHBondContact OD1-N 3.27Å; N85-A114 CarbonylContact O-C 3.5Å; N85-A114 WeakPolarHBondContact O-CA 3.35Å; N85-R115 CarbonylContact C-O 3.5Å; N85-R115 PolarHBondContact O-N 2.92Å
86G92.5Very high89Confident2 Ų227 Ų272%0.02114%0.142CC..SBendtrans93.3-6.4177.600000114.9Q83 P111 R115Q83-G86 PolarHBondContact O-N 3.23Å; G86-P111 VanDerWaalsContact O-CD 3.24Å; G86-P111 WeakPolarHBondContact O-CD 3.49Å; G86-P111 WeakPolarHBondContact O-CG 3.33Å; G86-R115 WeakPolarHBondContact CA-O 3.45Å; G86-R115 PolarHBondContact N-O 2.9Å
87R94.1Very high88.1Confident99 Ų9931.9 Ų31.937%0.37416%0.164SC..  trans-67.6144.8174.2-61.6-173.7-173.7-172.84.7110.2Q83 N85 E108 F109 V110Q83-R87 PolarHBondContact N-O 3.35Å; N85-R87 WeakPolarHBondContact OD1-CB 3.37Å; N85-R87 WeakPolarHBondContact OD1-CG 3.48Å; N85-R87 PolarHBondContact OD1-N 3.27Å; R87-E108 IonicContact NH1-OE2 3.4Å; R87-E108 PolarHBondContact NH1-OE2 2.68Å; R87-F109 WeakPolarHBondContact CA-O 3.44Å; R87-V110 HydrophobicContact CG-CG1 4.25Å; R87-V110 HydrophobicContact CG-CG2 4.05Å
88V95.1Very high87.1Confident1 Ų134.3 Ų34.31%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-116.6122.7171.9-175.60000108A80 V81 E108 F109 L120 L130 A132A80-V88 HydrophobicContact CB-CG1 4.17Å; V81-V88 CarbonylContact O-C 3.58Å; V81-V88 WeakPolarHBondContact O-CA 3.48Å; V88-E108 CarbonylContact O-C 3.48Å; V88-E108 WeakPolarHBondContact O-CA 3.42Å; V88-F109 HydrophobicContact CB-CB 4.21Å; V88-F109 HydrophobicContact CB-CD2 4.33Å; V88-F109 HydrophobicContact CG1-CD2 4.45Å; V88-F109 PolarHBondContact N-O 3.13Å; V88-F109 PolarHBondContact O-N 2.93Å; V88-L120 HydrophobicContact CG1-CD1 4.02Å; V88-L120 HydrophobicContact CG1-CD2 3.88Å; V88-L120 HydrophobicContact CG2-CD2 3.77Å; V88-L130 HydrophobicContact CG1-CD2 3.86Å; V88-A132 HydrophobicContact CG2-CB 4.06Å
89V93.9Very high85.7Confident15 Ų1538.5 Ų38.59%0.09121%0.206CC..EExtended strand (participates in β ladder)trans-115.7134.9-177.9-175.70000109.3V81 K107 E108V81-V89 PolarHBondContact N-O 2.98Å; V81-V89 PolarHBondContact O-N 3.47Å; V89-K107 WeakPolarHBondContact CA-O 3.34Å; V89-E108 HydrophobicContact CG2-CG 4.09Å
90L93.1Very high84.3Confident1 Ų142 Ų421%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-88.4129172.4-59.3-175000110.2L78 L79 A80 L104 G106 K107 F109 W122 L130 I148L78-L90 HydrophobicContact CD1-CB 4.35Å; L79-L90 WeakPolarHBondContact O-CA 3.22Å; A80-L90 HydrophobicContact CB-CD2 3.74Å; L90-L104 VanDerWaalsContact CB-O 3.31Å; L90-L104 WeakPolarHBondContact CB-O 3.48Å; L90-L104 HydrophobicContact CD1-CB 4.3Å; L90-L104 HydrophobicContact CD1-CD2 4.44Å; L90-G106 PolarHBondContact O-N 3.46Å; L90-K107 HydrophobicContact CD1-CB 4.3Å; L90-K107 PolarHBondContact N-O 3.11Å; L90-F109 HydrophobicContact CD1-CE2 3.89Å; L90-F109 HydrophobicContact CD1-CZ 4.28Å; L90-F109 HydrophobicContact CD2-CE2 4.23Å; L90-F109 HydrophobicContact CG-CE2 3.84Å; L90-W122 HydrophobicContact CD2-CZ2 4.24Å; L90-L130 HydrophobicContact CD2-CD2 4.17Å; L90-I148 HydrophobicContact CD1-CB 4.33Å; L90-I148 HydrophobicContact CD1-CG2 4.2Å
91T91.6Very high83.1Confident9 Ų942.1 Ų42.16%0.05523%0.228CC..EExtended strand (participates in β ladder)trans-133.3155.3176.8-173.20000110.3L26 N58 L79 V81L26-T91 HydrophobicContact CD1-CG2 3.77Å; N58-T91 PolarHBondContact ND2-OG1 2.95Å; L79-T91 HydrophobicContact CB-CG2 4.04Å; L79-T91 PolarHBondContact N-O 3.34Å; L79-T91 PolarHBondContact O-N 3.34Å; V81-T91 HydrophobicContact CG2-CG2 3.77Å
92S89.8Confident82Confident21 Ų2149.4 Ų49.415%0.14726%0.26CS..EExtended strand (participates in β ladder)trans-126.2142.1175.3176.90000110.5E76 C77 G94E76-S92 PolarHBondContact O-OG 3.16Å; C77-S92 WeakPolarHBondContact O-CA 3.46Å; S92-G94 PolarHBondContact OG-N 2.86Å; S92-G94 VanDerWaalsContact OG-N 3.1Å
93L87.8Confident81.3Confident10 Ų1055.7 Ų55.75%0.05229%0.289CS..  trans-1089.1171.3-63.2171.9000112V20 L26 L28 A56 N58 C77 L79V20-L93 HydrophobicContact CG1-CD1 4.39Å; V20-L93 HydrophobicContact CG2-CD1 3.94Å; L26-L93 HydrophobicContact CB-CD1 4.08Å; L28-L93 HydrophobicContact CB-CB 4.14Å; L28-L93 HydrophobicContact CB-CD1 3.91Å; L28-L93 HydrophobicContact CD2-CB 4.06Å; A56-L93 HydrophobicContact CB-CB 4.26Å; A56-L93 HydrophobicContact CB-CD2 4.29Å; N58-L93 HydrophobicContact CB-CD2 3.51Å; C77-L93 HydrophobicContact CB-CB 4.16Å; C77-L93 PolarHBondContact O-N 3.38Å; C77-L93 VanDerWaalsContact O-N 3.11Å; L79-L93 HydrophobicContact CD1-CD1 3.67Å; L79-L93 HydrophobicContact CD1-CG 4.25Å
94G78.8Confident80.8Confident10 Ų1055 Ų5510%0.10329%0.286CS..  trans-80.3151.5-17800000112.3S92S92-G94 PolarHBondContact OG-N 2.86Å; S92-G94 VanDerWaalsContact OG-N 3.1Å
95Q69.4Low80.6Confident150 Ų15055.9 Ų55.970%0.70129%0.288SS*.SBendtrans-85.8-18.7178.2-65178.8-6.900112.4
96N63.5Low80.2Confident97 Ų9754.9 Ų54.952%0.51929%0.29SS..  trans-96.2107.5-178.7-68.4-43.8000111.9E76 N98E76-N96 PolarHBondContact OE2-ND2 3.4Å; N96-N98 PolarHBondContact O-N 3.41Å
97H63.9Low80.1Confident129 Ų12956 Ų5660%0.59729%0.294SS*.  trans-89.572177.6-59.8-63.8000112.1K102H97-K102 HydrophobicContact CB-CG 4.47Å
98N65.9Low80Confident59 Ų5953.8 Ų53.832%0.31629%0.288SS..  trans-59.6154.4169.3-62.39.6000109.9E74 N96 T100 C101 K102E74-N98 PolarHBondContact OE2-ND2 2.99Å; E74-N98 VanDerWaalsContact OE2-ND2 3.15Å; N96-N98 PolarHBondContact O-N 3.41Å; N98-T100 VanDerWaalsContact C-N 3.28Å; N98-T100 PolarHBondContact O-N 2.97Å; N98-C101 WeakPolarHBondContact O-CA 3.43Å; N98-C101 VanDerWaalsContact O-CB 3.23Å; N98-C101 WeakPolarHBondContact O-CB 3.41Å; N98-C101 PolarHBondContact O-N 3.06Å; N98-K102 PolarHBondContact O-N 3.49Å
99S62.8Low79.9Confident88 Ų8853.7 Ų53.762%0.61529%0.288SS*.Hα-helixtrans-55.2-41.3-179.150.10000112.8C101 K102 E103S99-C101 VanDerWaalsContact C-N 3.29Å; S99-C101 PolarHBondContact O-N 2.99Å; S99-K102 PolarHBondContact O-N 3.38Å; S99-E103 PolarHBondContact O-N 3.34Å
100T64.4Low80Confident74 Ų7454.4 Ų54.445%0.45429%0.292SS..Hα-helixtrans-62.4-33.2175.1-37.10000112.9N98 E103 L104N98-T100 VanDerWaalsContact C-N 3.28Å; N98-T100 PolarHBondContact O-N 2.97Å; T100-E103 PolarHBondContact O-N 3.23Å; T100-L104 HydrophobicContact CG2-CD1 4.24Å; T100-L104 WeakPolarHBondContact O-CG 3.49Å; T100-L104 PolarHBondContact O-N 3.23Å
101C70.1Confident79.9Confident1 Ų154.9 Ų54.91%0.00730%0.295CS..Hα-helixtrans-66.9-42.2175.9-167.10000110.5P75 N98 S99 E103 L104 V105P75-C101 HydrophobicContact CB-CB 3.65Å; N98-C101 WeakPolarHBondContact O-CA 3.43Å; N98-C101 VanDerWaalsContact O-CB 3.23Å; N98-C101 WeakPolarHBondContact O-CB 3.41Å; N98-C101 PolarHBondContact O-N 3.06Å; S99-C101 VanDerWaalsContact C-N 3.29Å; S99-C101 PolarHBondContact O-N 2.99Å; C101-E103 VanDerWaalsContact C-N 3.3Å; C101-E103 PolarHBondContact O-N 2.89Å; C101-L104 PolarHBondContact O-N 3.16Å; C101-V105 WeakPolarHBondContact O-CB 3.24Å; C101-V105 VanDerWaalsContact O-CG2 3.23Å; C101-V105 WeakPolarHBondContact O-CG2 3.09Å; C101-V105 PolarHBondContact O-N 2.79Å
102K71.5Confident80Confident154 Ų15460.6 Ų60.667%0.6732%0.319SS*.Hα-helixtrans-64.7-32177.5-65.1-175.7179.7-177.90113.2H97 N98 S99H97-K102 HydrophobicContact CB-CG 4.47Å; N98-K102 PolarHBondContact O-N 3.49Å; S99-K102 PolarHBondContact O-N 3.38Å
103E79.7Confident80.1Confident132 Ų13263 Ų6362%0.61733%0.328SS*.Hα-helixtrans-73.5-32.6175.8-70.3-175.1-178.100113S99 T100 C101 K107S99-E103 PolarHBondContact O-N 3.34Å; T100-E103 PolarHBondContact O-N 3.23Å; C101-E103 VanDerWaalsContact C-N 3.3Å; C101-E103 PolarHBondContact O-N 2.89Å; E103-K107 WeakPolarHBondContact O-CE 3.31Å; E103-K107 WeakPolarHBondContact O-CG 3.43Å
104L84.8Confident80.3Confident10 Ų1066.7 Ų66.75%0.05236%0.36CS..Hα-helixtrans-91.7-37.1-173.6-67.9175.4000113.3P75 L78 L90 T100 C101 G106 K107 I148P75-L104 HydrophobicContact CG-CD1 4.13Å; L78-L104 HydrophobicContact CD2-CD1 4.2Å; L90-L104 VanDerWaalsContact CB-O 3.31Å; L90-L104 WeakPolarHBondContact CB-O 3.48Å; L90-L104 HydrophobicContact CD1-CB 4.3Å; L90-L104 HydrophobicContact CD1-CD2 4.44Å; T100-L104 HydrophobicContact CG2-CD1 4.24Å; T100-L104 WeakPolarHBondContact O-CG 3.49Å; T100-L104 PolarHBondContact O-N 3.23Å; C101-L104 PolarHBondContact O-N 3.16Å; L104-G106 PolarHBondContact O-N 3.45Å; L104-K107 HydrophobicContact CD2-CD 4.18Å; L104-K107 WeakPolarHBondContact O-CB 3.29Å; L104-K107 WeakPolarHBondContact O-CG 3.49Å; L104-K107 PolarHBondContact O-N 3.13Å; L104-K107 VanDerWaalsContact O-N 3.17Å; L104-I148 HydrophobicContact CD1-CD1 3.96Å; L104-I148 HydrophobicContact CD2-CB 4.45Å; L104-I148 HydrophobicContact CD2-CD1 3.92Å; L104-I148 WeakPolarHBondContact CD2-O 3.18Å
105V86.7Confident81Confident56 Ų5667.2 Ų67.234%0.33936%0.359SS..THydrogen-bonded Turntrans-65.4131.9-179.7173.40000110L78 C101 K107L78-V105 HydrophobicContact CD1-CG2 4.07Å; C101-V105 WeakPolarHBondContact O-CB 3.24Å; C101-V105 VanDerWaalsContact O-CG2 3.23Å; C101-V105 WeakPolarHBondContact O-CG2 3.09Å; C101-V105 PolarHBondContact O-N 2.79Å; V105-K107 VanDerWaalsContact C-N 3.31Å
106G85.4Confident82.3Confident34 Ų3463 Ų6335%0.35134%0.34SS..THydrogen-bonded Turntrans84.4-3.5-176.300000114.5L90 L104 E108L90-G106 PolarHBondContact O-N 3.46Å; L104-G106 PolarHBondContact O-N 3.45Å; G106-E108 PolarHBondContact O-N 3.05Å
107K89.9Confident83.8Confident26 Ų2658.4 Ų58.411%0.11332%0.315CS..  trans-63.7132.8171-74-166.9-177.2-172.50110.7V89 L90 E103 L104 V105 F109 I148 T174V89-K107 WeakPolarHBondContact CA-O 3.34Å; L90-K107 HydrophobicContact CD1-CB 4.3Å; L90-K107 PolarHBondContact N-O 3.11Å; E103-K107 WeakPolarHBondContact O-CE 3.31Å; E103-K107 WeakPolarHBondContact O-CG 3.43Å; L104-K107 HydrophobicContact CD2-CD 4.18Å; L104-K107 WeakPolarHBondContact O-CB 3.29Å; L104-K107 WeakPolarHBondContact O-CG 3.49Å; L104-K107 PolarHBondContact O-N 3.13Å; L104-K107 VanDerWaalsContact O-N 3.17Å; V105-K107 VanDerWaalsContact C-N 3.31Å; K107-F109 HydrophobicContact CB-CE2 4.48Å; K107-I148 PolarHBondContact NZ-O 2.91Å; K107-T174 CarbonylContact C-O 3.49Å; K107-T174 VanDerWaalsContact CA-O 3.27Å; K107-T174 WeakPolarHBondContact CA-O 3.48Å
108E91.9Very high85.3Confident52 Ų5253.8 Ų53.824%0.24329%0.294CS..EExtended strand (participates in β ladder)trans-111.8129.3177.1-55.5-163170.600110.9R87 V88 V89 G106 V110 T174 V175 V176R87-E108 IonicContact NH1-OE2 3.4Å; R87-E108 PolarHBondContact NH1-OE2 2.68Å; V88-E108 CarbonylContact O-C 3.48Å; V88-E108 WeakPolarHBondContact O-CA 3.42Å; V89-E108 HydrophobicContact CG2-CG 4.09Å; G106-E108 PolarHBondContact O-N 3.05Å; E108-V110 HydrophobicContact CB-CG2 4.21Å; E108-T174 PolarHBondContact N-O 2.72Å; E108-V175 HydrophobicContact CB-CG2 4.37Å; E108-V175 CarbonylContact O-C 3.53Å; E108-V175 WeakPolarHBondContact O-CA 3.46Å; E108-V176 PolarHBondContact O-N 2.99Å
109F93.9Very high86.7Confident0 Ų052 Ų520%029%0.286CS..EExtended strand (participates in β ladder)trans-104.4115.8169.3-52.8-88.1000108.9R87 V88 L90 K107 W146 I148 V176R87-F109 WeakPolarHBondContact CA-O 3.44Å; V88-F109 HydrophobicContact CB-CB 4.21Å; V88-F109 HydrophobicContact CB-CD2 4.33Å; V88-F109 HydrophobicContact CG1-CD2 4.45Å; V88-F109 PolarHBondContact N-O 3.13Å; V88-F109 PolarHBondContact O-N 2.93Å; L90-F109 HydrophobicContact CD1-CE2 3.89Å; L90-F109 HydrophobicContact CD1-CZ 4.28Å; L90-F109 HydrophobicContact CD2-CE2 4.23Å; L90-F109 HydrophobicContact CG-CE2 3.84Å; K107-F109 HydrophobicContact CB-CE2 4.48Å; F109-W146 HydrophobicContact CB-CD2 3.75Å; F109-W146 HydrophobicContact CB-CE3 4.12Å; F109-W146 HydrophobicContact CB-CG 3.99Å; F109-W146 HydrophobicContact CB-CZ2 4.31Å; F109-W146 HydrophobicContact CD1-CB 3.68Å; F109-W146 AromaticContact CD1-CD2 3.83Å; F109-W146 HydrophobicContact CD1-CD2 3.83Å; F109-W146 AromaticContact CD1-CE3 3.78Å; F109-W146 HydrophobicContact CD1-CE3 3.78Å; F109-W146 AromaticContact CD1-CG 3.78Å; F109-W146 HydrophobicContact CD1-CG 3.78Å; F109-W146 HydrophobicContact CE1-CB 4.02Å; F109-W146 HydrophobicContact CG-CB 4.19Å; F109-W146 HydrophobicContact CG-CD2 4.1Å; F109-W146 HydrophobicContact CG-CE3 4.39Å; F109-W146 AromaticContact CG-CG 3.98Å; F109-W146 HydrophobicContact CG-CG 3.98Å; F109-I148 HydrophobicContact CE2-CG2 4.15Å; F109-I148 HydrophobicContact CZ-CB 4.15Å; F109-I148 HydrophobicContact CZ-CG2 3.8Å; F109-V176 CarbonylContact C-O 3.46Å; F109-V176 WeakPolarHBondContact CA-O 3.17Å; F109-V176 HydrophobicContact CD1-CB 3.62Å; F109-V176 HydrophobicContact CD1-CG1 3.93Å; F109-V176 HydrophobicContact CD1-CG2 4.1Å; F109-V176 HydrophobicContact CE1-CB 3.93Å; F109-V176 HydrophobicContact CE1-CG1 4.22Å; F109-V176 HydrophobicContact CE1-CG2 3.88Å
110V94Very high88.4Confident30 Ų3048.5 Ų48.518%0.18226%0.26CS..  trans-115117.6-169-176.60000109.6R87 E108 V175 V176 T177R87-V110 HydrophobicContact CG-CG1 4.25Å; R87-V110 HydrophobicContact CG-CG2 4.05Å; E108-V110 HydrophobicContact CB-CG2 4.21Å; V110-V175 HydrophobicContact CB-CG1 4.4Å; V110-V175 HydrophobicContact CG2-CG1 3.68Å; V110-V176 PolarHBondContact N-O 2.8Å; V110-T177 HydrophobicContact CB-CG2 4.44Å
111P93.1Very high89.9Confident10 Ų1045.5 Ų45.57%0.06524%0.243CC..  trans-69.6156.4175.830-35.1000111.2G86 H113 L134 L144G86-P111 VanDerWaalsContact O-CD 3.24Å; G86-P111 WeakPolarHBondContact O-CD 3.49Å; G86-P111 WeakPolarHBondContact O-CG 3.33Å; P111-H113 PolarHBondContact O-N 2.96Å; P111-L134 HydrophobicContact CB-CD1 3.86Å; P111-L134 HydrophobicContact CG-CD1 4.32Å; P111-L144 HydrophobicContact CB-CD1 3.75Å
112K92.2Very high91.1Very high129 Ų12946.3 Ų46.356%0.56125%0.246SC*.SBendtrans-54.2-36.3178.6-70.9168.9177.5155.80113.4E182K112-E182 IonicContact NZ-OE1 2.71Å; K112-E182 PolarHBondContact NZ-OE1 3.03Å; K112-E182 IonicContact NZ-OE2 3.47Å; K112-E182 PolarHBondContact NZ-OE2 3.31Å
113H91.9Very high92.2Very high71 Ų7139 Ų3933%0.32921%0.214SC..SBendtrans-127.7131.9178.7-4882.2000110.6P111 R115 H137 D140P111-H113 PolarHBondContact O-N 2.96Å; H113-R115 PolarHBondContact O-N 3.39Å; H113-R115 PolarHBondContact O-NH1 3.29Å; H113-H137 AromaticContact CD2-CE1 3.38Å; H113-H137 PolarHBondContact CD2-CE1 2.94Å; H113-H137 AromaticContact CD2-NE2 3.55Å; H113-H137 AromaticContact CE1-CE1 3.63Å; H113-H137 AromaticContact CE1-ND1 3.96Å; H113-H137 AromaticContact CG-CE1 3.53Å; H113-H137 AromaticContact CG-ND1 3.94Å; H113-H137 AromaticContact CG-NE2 3.7Å; H113-H137 AromaticContact ND1-CE1 3.67Å; H113-H137 AromaticContact ND1-ND1 3.78Å; H113-H137 AromaticContact NE2-CE1 3.43Å; H113-H137 PolarHBondContact NE2-CE1 3.47Å; H113-D140 IonicContact CE1-OD2 2.8Å; H113-D140 IonicContact CG-OD2 3.96Å; H113-D140 IonicContact ND1-OD2 2.8Å; H113-D140 PolarHBondContact ND1-OD2 3.14Å
114A92.2Very high92.7Very high89 Ų8935.2 Ų35.274%0.73620%0.201SC*.  trans-67.6122.7179.700000111.6N85N85-A114 CarbonylContact O-C 3.5Å; N85-A114 WeakPolarHBondContact O-CA 3.35Å
115R94.3Very high92.9Very high21 Ų2139.4 Ų39.48%0.07923%0.227CC..  trans-166.1155.7-177.962.5-167.1179.8-98.99.8110.1A84 N85 G86 H113 C117 L134 D135 D140 F141A84-R115 CarbonylContact O-C 3.54Å; N85-R115 CarbonylContact C-O 3.5Å; N85-R115 PolarHBondContact O-N 2.92Å; G86-R115 WeakPolarHBondContact CA-O 3.45Å; G86-R115 PolarHBondContact N-O 2.9Å; H113-R115 PolarHBondContact O-N 3.39Å; H113-R115 PolarHBondContact O-NH1 3.29Å; R115-C117 PolarHBondContact O-N 2.71Å; R115-L134 HydrophobicContact CG-CB 4.17Å; R115-D135 HydrophobicContact CB-CB 4.24Å; R115-D135 VanDerWaalsContact CD-O 3.23Å; R115-D135 WeakPolarHBondContact CD-O 3.26Å; R115-D135 PolarHBondContact NE-O 3.25Å; R115-D140 IonicContact CZ-OD2 3.2Å; R115-D140 VanDerWaalsContact CZ-OD2 3.29Å; R115-D140 IonicContact NH1-OD2 3.52Å; R115-D140 PolarHBondContact NH1-OD2 3.33Å; R115-D140 IonicContact NH2-OD1 2.67Å; R115-D140 IonicContact NH2-OD2 2.73Å; R115-D140 PolarHBondContact NH2-OD2 3.5Å; R115-F141 PolarHBondContact NH2-O 3.35Å
116Q95.4Very high93.1Very high62 Ų6239.2 Ų39.229%0.2922%0.224SC..  trans-58.2135.9-172.6-172.1171.8-7300113.2K65 A84 N118 L134 D135K65-Q116 HydrophobicContact CD-CG 4.31Å; K65-Q116 HydrophobicContact CG-CG 4.02Å; A84-Q116 VanDerWaalsContact O-CA 3.25Å; A84-Q116 WeakPolarHBondContact O-CA 3.4Å; A84-Q116 PolarHBondContact O-N 2.58Å; Q116-N118 PolarHBondContact NE2-OD1 2.93Å; Q116-L134 WeakPolarHBondContact O-CA 3.37Å; Q116-D135 WeakPolarHBondContact CB-OD2 3.35Å; Q116-D135 PolarHBondContact O-N 3.29Å
117C95.9Very high93.3Very high0 Ų037.8 Ų37.80%021%0.208CC..EExtended strand (participates in β ladder)trans-87.9112.7163.8-174.10000109.7K65 C66 Q83 R115 G133 L134K65-C117 WeakPolarHBondContact CB-O 3.42Å; C66-C117 PolarHBondContact SG-O 3.46Å; C66-C117 VanDerWaalsContact SG-SG 3.63Å; Q83-C117 PolarHBondContact O-N 2.9Å; R115-C117 PolarHBondContact O-N 2.71Å; C117-G133 CarbonylContact C-O 3.6Å; C117-L134 HydrophobicContact CB-CD2 3.79Å
118N95.1Very high93.4Very high31 Ų3139 Ų3917%0.16622%0.216CC..EExtended strand (participates in β ladder)trans-87.1-32.7-174.1-66.6-40.5000112.6Q116 G133 D135 C189Q116-N118 PolarHBondContact NE2-OD1 2.93Å; N118-G133 PolarHBondContact N-O 3.47Å; N118-D135 PolarHBondContact ND2-OD1 3.49Å; N118-C189 WeakPolarHBondContact CB-O 3.36Å; N118-C189 PolarHBondContact ND2-O 3.33Å
119T96.2Very high93.5Very high22 Ų2236.9 Ų36.914%0.13521%0.207CC..EExtended strand (participates in β ladder)trans-155.3147.9-171.4-176.40000110.7C66 G133 L192C66-T119 PolarHBondContact SG-N 3.23Å; T119-G133 PolarHBondContact N-O 3.44Å; T119-G133 PolarHBondContact O-N 3Å; T119-L192 HydrophobicContact CG2-CB 3.97Å; T119-L192 HydrophobicContact CG2-CD1 3.85Å; T119-L192 HydrophobicContact CG2-CG 3.61Å; T119-L192 PolarHBondContact OG1-N 2.82Å
120L96.9Very high93.6Very high14 Ų1436.9 Ų36.97%0.07321%0.207CC..EExtended strand (participates in β ladder)trans-129.7141.5174.5-73.6171000109.1A68 A80 G82 V88 L130 A131 A132A68-L120 HydrophobicContact CB-CB 3.7Å; A80-L120 HydrophobicContact CB-CD1 4.15Å; A80-L120 WeakPolarHBondContact O-CD1 3.27Å; G82-L120 VanDerWaalsContact N-CD1 3.26Å; V88-L120 HydrophobicContact CG1-CD1 4.02Å; V88-L120 HydrophobicContact CG1-CD2 3.88Å; V88-L120 HydrophobicContact CG2-CD2 3.77Å; L120-L130 HydrophobicContact CD2-CD1 4.31Å; L120-A131 WeakPolarHBondContact CA-O 3.42Å; L120-A132 HydrophobicContact CD2-CB 3.7Å
121A96.2Very high93.8Very high11 Ų1135.5 Ų35.59%0.09120%0.198CC..EExtended strand (participates in β ladder)trans-142.8117.5175.200000110.6A131 L192 W194A121-A131 PolarHBondContact N-O 2.97Å; A121-A131 PolarHBondContact O-N 2.83Å; A121-L192 HydrophobicContact CB-CB 3.99Å; A121-W194 PolarHBondContact O-NE1 2.84Å
122W95.5Very high94Very high18 Ų1835 Ų357%0.06820%0.195CC..EExtended strand (participates in β ladder)trans-75.7138.5168.4-85.693.3000110.6Y70 P71 L90 P124 S127 L130 I148 W194Y70-W122 AromaticContact CD2-CD2 3.88Å; Y70-W122 HydrophobicContact CD2-CD2 3.88Å; Y70-W122 AromaticContact CD2-CE2 3.76Å; Y70-W122 AromaticContact CD2-CE3 3.76Å; Y70-W122 HydrophobicContact CD2-CE3 3.76Å; Y70-W122 AromaticContact CD2-CH2 3.33Å; Y70-W122 HydrophobicContact CD2-CH2 3.33Å; Y70-W122 AromaticContact CD2-CZ2 3.48Å; Y70-W122 HydrophobicContact CD2-CZ2 3.48Å; Y70-W122 VanDerWaalsContact CD2-CZ2 3.48Å; Y70-W122 AromaticContact CD2-CZ3 3.54Å; Y70-W122 HydrophobicContact CD2-CZ3 3.54Å; Y70-W122 HydrophobicContact CE2-CD2 4.44Å; Y70-W122 AromaticContact CE2-CE3 3.86Å; Y70-W122 HydrophobicContact CE2-CE3 3.86Å; Y70-W122 AromaticContact CE2-CH2 3.35Å; Y70-W122 HydrophobicContact CE2-CH2 3.35Å; Y70-W122 HydrophobicContact CE2-CZ2 4.02Å; Y70-W122 AromaticContact CE2-CZ3 3.33Å; Y70-W122 HydrophobicContact CE2-CZ3 3.33Å; P71-W122 HydrophobicContact CG-CB 4.03Å; L90-W122 HydrophobicContact CD2-CZ2 4.24Å; W122-P124 WeakPolarHBondContact O-CD 3.42Å; W122-S127 WeakPolarHBondContact CZ3-O 3.25Å; W122-L130 HydrophobicContact CD2-CD1 4.09Å; W122-L130 HydrophobicContact CG-CD1 3.97Å; W122-L130 HydrophobicContact CZ2-CD2 4.33Å; W122-I148 HydrophobicContact CH2-CB 4Å; W122-I148 HydrophobicContact CH2-CD1 3.64Å; W122-I148 HydrophobicContact CH2-CG1 3.59Å; W122-I148 HydrophobicContact CH2-CG2 3.44Å; W122-I148 VanDerWaalsContact CH2-CG2 3.44Å; W122-I148 HydrophobicContact CZ2-CG2 4.04Å; W122-I148 HydrophobicContact CZ3-CD1 4.1Å; W122-I148 HydrophobicContact CZ3-CG1 3.85Å; W122-I148 HydrophobicContact CZ3-CG2 4.05Å; W122-W194 VanDerWaalsContact C-CD1 3.42Å
123N94.5Very high94.3Very high0 Ų028.9 Ų28.90%017%0.168CC..  trans-69.9122.7170.5-171.6-51000109.2P71 V125 D126 L129 W194 T199P71-N123 WeakPolarHBondContact CG-O 3.23Å; N123-V125 VanDerWaalsContact C-N 3.25Å; N123-V125 PolarHBondContact O-N 2.89Å; N123-V125 PolarHBondContact OD1-N 2.94Å; N123-D126 HydrophobicContact CB-CB 4.44Å; N123-D126 WeakPolarHBondContact CB-O 3.34Å; N123-D126 PolarHBondContact OD1-N 2.96Å; N123-L129 HydrophobicContact CB-CB 3.97Å; N123-L129 PolarHBondContact N-O 2.84Å; N123-W194 HydrophobicContact CB-CD2 3.97Å; N123-W194 HydrophobicContact CB-CE3 4.43Å; N123-W194 HydrophobicContact CB-CG 4.35Å; N123-W194 HydrophobicContact CB-CH2 4.33Å; N123-W194 HydrophobicContact CB-CZ2 3.9Å; N123-W194 WeakPolarHBondContact ND2-CZ3 3.46Å; N123-T199 PolarHBondContact ND2-O 3.39Å
124P90.2Very high94.5Very high54 Ų5425.6 Ų25.635%0.35115%0.153SC..SBendtrans-68.5-24.2-172.525.9-33.8000113.2W122 W194 L196W122-P124 WeakPolarHBondContact O-CD 3.42Å; P124-W194 HydrophobicContact CG-CB 4.45Å; P124-L196 HydrophobicContact CG-CD2 4Å
125V89.8Confident94.7Very high97 Ų9724 Ų2459%0.58813%0.132SC*.SBendtrans-104.9-54-178.3-176.80000110.8N123 S127 T199N123-V125 VanDerWaalsContact C-N 3.25Å; N123-V125 PolarHBondContact O-N 2.89Å; N123-V125 PolarHBondContact OD1-N 2.94Å; V125-S127 VanDerWaalsContact C-N 3.28Å; V125-S127 PolarHBondContact O-N 3.14Å; V125-S127 VanDerWaalsContact O-N 3.1Å; V125-T199 HydrophobicContact CB-CG2 3.51Å; V125-T199 HydrophobicContact CG1-CG2 3.73Å; V125-T199 HydrophobicContact CG2-CG2 3.68Å
126D91.3Very high94.7Very high53 Ų5328.5 Ų28.528%0.28315%0.152SC..SBendtrans-87.968.4176.7-167.4-6000109.9N123 N128 L129 K200N123-D126 HydrophobicContact CB-CB 4.44Å; N123-D126 WeakPolarHBondContact CB-O 3.34Å; N123-D126 PolarHBondContact OD1-N 2.96Å; D126-N128 PolarHBondContact O-N 3.14Å; D126-L129 HydrophobicContact CB-CD1 4.15Å; D126-L129 HydrophobicContact CB-CG 4.38Å; D126-L129 PolarHBondContact O-N 2.86Å; D126-L129 WeakPolarHBondContact OD2-CD1 3.41Å; D126-K200 IonicContact OD2-NZ 3.59Å; D126-K200 PolarHBondContact OD2-NZ 3.17Å
127S89.6Confident94.5Very high3 Ų328.3 Ų28.32%0.02115%0.152CC..THydrogen-bonded Turntrans-68.322.8-172.1-360000114.5Y70 K72 W122 V125Y70-S127 WeakPolarHBondContact CE2-O 3.28Å; Y70-S127 PolarHBondContact OH-O 3.28Å; K72-S127 VanDerWaalsContact CE-OG 3.29Å; K72-S127 WeakPolarHBondContact CE-OG 3.28Å; K72-S127 WeakPolarHBondContact CG-OG 3.4Å; W122-S127 WeakPolarHBondContact CZ3-O 3.25Å; V125-S127 VanDerWaalsContact C-N 3.28Å; V125-S127 PolarHBondContact O-N 3.14Å; V125-S127 VanDerWaalsContact O-N 3.1Å
128N91.1Very high94.2Very high53 Ų5338.9 Ų38.928%0.28319%0.191SC..THydrogen-bonded Turntrans-98.7-19.2162.5-72.6-11.7000111.4D126 D147 I148D126-N128 PolarHBondContact O-N 3.14Å; N128-D147 WeakPolarHBondContact O-CA 3.48Å; N128-I148 HydrophobicContact CB-CG1 4.25Å; N128-I148 VanDerWaalsContact O-CG1 3.23Å; N128-I148 WeakPolarHBondContact O-CG1 3.38Å; N128-I148 PolarHBondContact O-N 2.98Å
129L94.7Very high93.8Very high7 Ų741 Ų414%0.03721%0.213CC..EExtended strand (participates in β ladder)trans-88.4121-177.1-58.7-178.3000111.4N123 D126 I145 W146 L180 W194 L215N123-L129 HydrophobicContact CB-CB 3.97Å; N123-L129 PolarHBondContact N-O 2.84Å; D126-L129 HydrophobicContact CB-CD1 4.15Å; D126-L129 HydrophobicContact CB-CG 4.38Å; D126-L129 PolarHBondContact O-N 2.86Å; D126-L129 WeakPolarHBondContact OD2-CD1 3.41Å; L129-I145 HydrophobicContact CB-CG2 4.2Å; L129-I145 HydrophobicContact CD2-CG2 4.33Å; L129-W146 WeakPolarHBondContact CA-O 3.29Å; L129-L180 HydrophobicContact CD2-CD2 3.65Å; L129-W194 HydrophobicContact CB-CH2 4.45Å; L129-W194 HydrophobicContact CB-CZ2 4.34Å; L129-W194 HydrophobicContact CD1-CH2 4.4Å; L129-L215 HydrophobicContact CD1-CD1 4.42Å
130L96.4Very high93.6Very high0 Ų040.1 Ų40.10%021%0.207CC..EExtended strand (participates in β ladder)trans-119.2113.9176.317757.8000109.8A80 V88 L90 L120 W122 I145 W146 I148A80-L130 HydrophobicContact CB-CD1 4.12Å; A80-L130 HydrophobicContact CB-CD2 3.66Å; V88-L130 HydrophobicContact CG1-CD2 3.86Å; L90-L130 HydrophobicContact CD2-CD2 4.17Å; L120-L130 HydrophobicContact CD2-CD1 4.31Å; W122-L130 HydrophobicContact CD2-CD1 4.09Å; W122-L130 HydrophobicContact CG-CD1 3.97Å; W122-L130 HydrophobicContact CZ2-CD2 4.33Å; L130-I145 WeakPolarHBondContact O-CA 3.48Å; L130-W146 PolarHBondContact N-O 3.25Å; L130-W146 PolarHBondContact O-N 2.98Å; L130-I148 HydrophobicContact CB-CG2 4.05Å; L130-I148 HydrophobicContact CD2-CG2 4.29Å
131A97.4Very high93.5Very high0 Ų042 Ų420%022%0.215CC..EExtended strand (participates in β ladder)trans-91.7135.6176.800000111L120 A121 L144 I145 L192 W194 L202L120-A131 WeakPolarHBondContact CA-O 3.42Å; A121-A131 PolarHBondContact N-O 2.97Å; A121-A131 PolarHBondContact O-N 2.83Å; A131-L144 CarbonylContact C-O 3.55Å; A131-L144 WeakPolarHBondContact CA-O 3.47Å; A131-I145 HydrophobicContact CB-CG1 4.07Å; A131-L192 HydrophobicContact CB-CD1 4.02Å; A131-W194 HydrophobicContact CB-CZ2 3.96Å; A131-L202 HydrophobicContact CB-CD1 4.38Å; A131-L202 HydrophobicContact CB-CD2 4.19Å
132A97.8Very high93.4Very high1 Ų141.6 Ų41.61%0.00821%0.212CC..EExtended strand (participates in β ladder)trans-122.6127.1176.300000110.6V88 L120 V143 L144V88-A132 HydrophobicContact CG2-CB 4.06Å; L120-A132 HydrophobicContact CD2-CB 3.7Å; A132-V143 WeakPolarHBondContact O-CA 3.36Å; A132-L144 PolarHBondContact N-O 3.25Å; A132-L144 PolarHBondContact O-N 3.44Å
133G97.3Very high93.5Very high0 Ų040.8 Ų40.80%021%0.209CC..EExtended strand (participates in β ladder)trans-99.6126.217400000110.3C117 N118 T119 S142 L192C117-G133 CarbonylContact C-O 3.6Å; N118-G133 PolarHBondContact N-O 3.47Å; T119-G133 PolarHBondContact N-O 3.44Å; T119-G133 PolarHBondContact O-N 3Å; G133-S142 CarbonylContact C-O 3.07Å; G133-S142 WeakPolarHBondContact CA-O 3.1Å; G133-L192 VanDerWaalsContact N-CD1 3.32Å
134L96.9Very high93.6Very high1 Ų141 Ų411%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-119.8161.8-171.6-58.8177.3000111.6P111 R115 Q116 C117 S142 L144 C189P111-L134 HydrophobicContact CB-CD1 3.86Å; P111-L134 HydrophobicContact CG-CD1 4.32Å; R115-L134 HydrophobicContact CG-CB 4.17Å; Q116-L134 WeakPolarHBondContact O-CA 3.37Å; C117-L134 HydrophobicContact CB-CD2 3.79Å; L134-S142 WeakPolarHBondContact CB-O 3.04Å; L134-S142 PolarHBondContact N-O 3.34Å; L134-S142 VanDerWaalsContact O-CB 3.28Å; L134-S142 WeakPolarHBondContact O-CB 3.28Å; L134-L144 HydrophobicContact CD1-CD1 3.55Å; L134-L144 HydrophobicContact CD1-CG 3.89Å; L134-C189 PolarHBondContact O-N 2.96Å
135D95.9Very high93.9Very high56 Ų5638.4 Ų38.430%0.29919%0.193SC..  trans-62.6162.9169.5-88.6-10.8000113.2R115 Q116 N118 H137R115-D135 HydrophobicContact CB-CB 4.24Å; R115-D135 VanDerWaalsContact CD-O 3.23Å; R115-D135 WeakPolarHBondContact CD-O 3.26Å; R115-D135 PolarHBondContact NE-O 3.25Å; Q116-D135 WeakPolarHBondContact CB-OD2 3.35Å; Q116-D135 PolarHBondContact O-N 3.29Å; N118-D135 PolarHBondContact ND2-OD1 3.49Å; D135-H137 PolarHBondContact O-N 3.29Å
136K94.2Very high94.2Very high115 Ų11533.9 Ų33.950%0.517%0.165SC..  trans-64.6132.2-179.3174.4170.7177.4143.50111.2N186 A188K136-N186 WeakPolarHBondContact CD-O 3.46Å; K136-N186 WeakPolarHBondContact CE-O 3.43Å; K136-N186 PolarHBondContact NZ-O 3.5Å; K136-A188 HydrophobicContact CB-CB 3.93Å
137H92.8Very high94.2Very high59 Ų5933.5 Ų33.527%0.27316%0.163SC..  trans-130.9141.8164.9-170-96.9000109.6H113 D135 A139 D140H113-H137 AromaticContact CD2-CE1 3.38Å; H113-H137 PolarHBondContact CD2-CE1 2.94Å; H113-H137 AromaticContact CD2-NE2 3.55Å; H113-H137 AromaticContact CE1-CE1 3.63Å; H113-H137 AromaticContact CE1-ND1 3.96Å; H113-H137 AromaticContact CG-CE1 3.53Å; H113-H137 AromaticContact CG-ND1 3.94Å; H113-H137 AromaticContact CG-NE2 3.7Å; H113-H137 AromaticContact ND1-CE1 3.67Å; H113-H137 AromaticContact ND1-ND1 3.78Å; H113-H137 AromaticContact NE2-CE1 3.43Å; H113-H137 PolarHBondContact NE2-CE1 3.47Å; D135-H137 PolarHBondContact O-N 3.29Å; H137-A139 VanDerWaalsContact C-N 3.28Å; H137-A139 PolarHBondContact ND1-N 2.86Å; H137-A139 PolarHBondContact O-N 3.23Å; H137-D140 HydrophobicContact CB-CB 3.98Å; H137-D140 WeakPolarHBondContact ND1-CB 3.5Å
138R87.8Confident94.3Very high221 Ų22133.5 Ų33.583%0.83416%0.163SC*.THydrogen-bonded Turntrans-74.1-13.6-171.5-71.3-173-177.3-178.11.2115.1N186R138-N186 PolarHBondContact O-OD1 3.36Å
139A88.3Confident94Very high75 Ų7533.6 Ų33.662%0.6217%0.168SC*.THydrogen-bonded Turntrans-132.519.2-175.100000111.8H137H137-A139 VanDerWaalsContact C-N 3.28Å; H137-A139 PolarHBondContact ND1-N 2.86Å; H137-A139 PolarHBondContact O-N 3.23Å
140D91.6Very high93.3Very high4 Ų435.5 Ų35.52%0.02118%0.182CC..SBendtrans-147.2167.9-174.2-155.9-1000111.1H113 R115 H137 N186H113-D140 IonicContact CE1-OD2 2.8Å; H113-D140 IonicContact CG-OD2 3.96Å; H113-D140 IonicContact ND1-OD2 2.8Å; H113-D140 PolarHBondContact ND1-OD2 3.14Å; R115-D140 IonicContact CZ-OD2 3.2Å; R115-D140 VanDerWaalsContact CZ-OD2 3.29Å; R115-D140 IonicContact NH1-OD2 3.52Å; R115-D140 PolarHBondContact NH1-OD2 3.33Å; R115-D140 IonicContact NH2-OD1 2.67Å; R115-D140 IonicContact NH2-OD2 2.73Å; R115-D140 PolarHBondContact NH2-OD2 3.5Å; H137-D140 HydrophobicContact CB-CB 3.98Å; H137-D140 WeakPolarHBondContact ND1-CB 3.5Å; D140-N186 PolarHBondContact O-N 3.13Å
141F94.1Very high91.9Very high55 Ų5544.1 Ų44.124%0.24122%0.219CC..EExtended strand (participates in β ladder)trans-93.1141.5-178.1-65.3-90.3000110.9R115 L144 E182 L183 Q185R115-F141 PolarHBondContact NH2-O 3.35Å; F141-L144 HydrophobicContact CB-CD2 4.12Å; F141-E182 HydrophobicContact CB-CB 3.94Å; F141-E182 HydrophobicContact CD1-CB 4.19Å; F141-E182 HydrophobicContact CD2-CB 3.5Å; F141-E182 HydrophobicContact CD2-CG 4.31Å; F141-E182 HydrophobicContact CE2-CB 3.95Å; F141-E182 HydrophobicContact CG-CB 3.62Å; F141-E182 HydrophobicContact CZ-CB 4.47Å; F141-L183 WeakPolarHBondContact CB-O 3.36Å; F141-Q185 HydrophobicContact CD1-CB 3.86Å; F141-Q185 HydrophobicContact CD1-CG 4.37Å; F141-Q185 HydrophobicContact CE1-CB 3.75Å; F141-Q185 HydrophobicContact CE1-CG 4.12Å; F141-Q185 HydrophobicContact CZ-CG 4.43Å
142S95.1Very high89.9Confident2 Ų249.4 Ų49.41%0.01424%0.242CC..EExtended strand (participates in β ladder)trans-93.1-12.1179.549.10000114.7G133 L134 L183 G184 D187 M206G133-S142 CarbonylContact C-O 3.07Å; G133-S142 WeakPolarHBondContact CA-O 3.1Å; L134-S142 WeakPolarHBondContact CB-O 3.04Å; L134-S142 PolarHBondContact N-O 3.34Å; L134-S142 VanDerWaalsContact O-CB 3.28Å; L134-S142 WeakPolarHBondContact O-CB 3.28Å; S142-L183 PolarHBondContact N-O 3.31Å; S142-G184 PolarHBondContact N-O 2.92Å; S142-G184 VanDerWaalsContact N-O 3.1Å; S142-G184 PolarHBondContact OG-O 3.03Å; S142-D187 WeakPolarHBondContact CB-O 3.4Å; S142-D187 PolarHBondContact OG-O 3.2Å; S142-M206 WeakPolarHBondContact OG-CE 3.39Å
143V96.6Very high87.4Confident0 Ų053.4 Ų53.40%028%0.275CS..EExtended strand (participates in β ladder)trans-114.6112174.7178.10000108.3A132 L183 C189 L192 L202 A204 M206A132-V143 WeakPolarHBondContact O-CA 3.36Å; V143-L183 HydrophobicContact CB-CB 3.95Å; V143-L183 HydrophobicContact CG1-CB 4.22Å; V143-L183 HydrophobicContact CG1-CD1 4.4Å; V143-L183 PolarHBondContact N-O 2.95Å; V143-L183 PolarHBondContact O-N 3.44Å; V143-C189 HydrophobicContact CG2-CB 3.65Å; V143-L192 HydrophobicContact CG1-CD2 4.22Å; V143-L192 HydrophobicContact CG2-CD2 4.19Å; V143-L202 HydrophobicContact CG1-CD2 3.8Å; V143-A204 HydrophobicContact CG2-CB 4.43Å; V143-M206 HydrophobicContact CG2-CE 4.28Å; V143-M206 HydrophobicContact CG2-SD 3.83Å
144L96.8Very high84.9Confident4 Ų457.8 Ų57.82%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-113.3129.3178.9-55-173.6000109.3P111 A131 A132 L134 F141 W146 P179 E182P111-L144 HydrophobicContact CB-CD1 3.75Å; A131-L144 CarbonylContact C-O 3.55Å; A131-L144 WeakPolarHBondContact CA-O 3.47Å; A132-L144 PolarHBondContact N-O 3.25Å; A132-L144 PolarHBondContact O-N 3.44Å; L134-L144 HydrophobicContact CD1-CD1 3.55Å; L134-L144 HydrophobicContact CD1-CG 3.89Å; F141-L144 HydrophobicContact CB-CD2 4.12Å; L144-W146 HydrophobicContact CB-CZ2 4.12Å; L144-W146 HydrophobicContact CD1-CH2 4.49Å; L144-W146 HydrophobicContact CD1-CZ2 3.67Å; L144-P179 HydrophobicContact CB-CB 4.2Å; L144-P179 HydrophobicContact CD2-CG 4.21Å; L144-E182 HydrophobicContact CD2-CB 4.41Å; L144-E182 HydrophobicContact CD2-CG 4.15Å
145I96.6Very high82.2Confident0 Ų066.4 Ų66.40%034%0.344CS..EExtended strand (participates in β ladder)trans-112.4123.5176.3-52.9178.7000108.5L129 L130 A131 L180 Y181 L183 W194 L202 L215L129-I145 HydrophobicContact CB-CG2 4.2Å; L129-I145 HydrophobicContact CD2-CG2 4.33Å; L130-I145 WeakPolarHBondContact O-CA 3.48Å; A131-I145 HydrophobicContact CB-CG1 4.07Å; I145-L180 WeakPolarHBondContact O-CA 3.19Å; I145-L180 WeakPolarHBondContact O-CB 3.39Å; I145-L180 PolarHBondContact O-N 2.94Å; I145-Y181 HydrophobicContact CB-CD2 4.04Å; I145-Y181 HydrophobicContact CD1-CD2 4.21Å; I145-Y181 HydrophobicContact CD1-CG 4.49Å; I145-Y181 HydrophobicContact CG2-CD2 4.15Å; I145-Y181 PolarHBondContact N-O 3.48Å; I145-Y181 PolarHBondContact O-N 2.86Å; I145-L183 HydrophobicContact CD1-CD1 4.08Å; I145-W194 HydrophobicContact CD1-CH2 4.07Å; I145-W194 HydrophobicContact CD1-CZ2 4.49Å; I145-W194 HydrophobicContact CG2-CH2 4.5Å; I145-W194 HydrophobicContact CG2-CZ2 4.49Å; I145-L202 HydrophobicContact CD1-CD2 3.94Å; I145-L202 HydrophobicContact CG1-CD2 4.48Å; I145-L215 HydrophobicContact CD1-CD1 4.1Å; I145-L215 HydrophobicContact CD1-CD2 3.46Å; I145-L215 VanDerWaalsContact CD1-CD2 3.46Å; I145-L215 HydrophobicContact CD1-CG 4.41Å
146W95.4Very high79.5Confident3 Ų369.7 Ų69.71%0.01137%0.366CS..EExtended strand (participates in β ladder)trans-106.4145.4-178.1-53.896.4000110.2F109 L129 L130 L144 V176 P179F109-W146 HydrophobicContact CB-CD2 3.75Å; F109-W146 HydrophobicContact CB-CE3 4.12Å; F109-W146 HydrophobicContact CB-CG 3.99Å; F109-W146 HydrophobicContact CB-CZ2 4.31Å; F109-W146 HydrophobicContact CD1-CB 3.68Å; F109-W146 AromaticContact CD1-CD2 3.83Å; F109-W146 HydrophobicContact CD1-CD2 3.83Å; F109-W146 AromaticContact CD1-CE3 3.78Å; F109-W146 HydrophobicContact CD1-CE3 3.78Å; F109-W146 AromaticContact CD1-CG 3.78Å; F109-W146 HydrophobicContact CD1-CG 3.78Å; F109-W146 HydrophobicContact CE1-CB 4.02Å; F109-W146 HydrophobicContact CG-CB 4.19Å; F109-W146 HydrophobicContact CG-CD2 4.1Å; F109-W146 HydrophobicContact CG-CE3 4.39Å; F109-W146 AromaticContact CG-CG 3.98Å; F109-W146 HydrophobicContact CG-CG 3.98Å; L129-W146 WeakPolarHBondContact CA-O 3.29Å; L130-W146 PolarHBondContact N-O 3.25Å; L130-W146 PolarHBondContact O-N 2.98Å; L144-W146 HydrophobicContact CB-CZ2 4.12Å; L144-W146 HydrophobicContact CD1-CH2 4.49Å; L144-W146 HydrophobicContact CD1-CZ2 3.67Å; W146-V176 HydrophobicContact CE3-CG1 3.97Å; W146-V176 HydrophobicContact CZ3-CG1 4.06Å; W146-P179 HydrophobicContact CD2-CB 4.04Å; W146-P179 VanDerWaalsContact CE3-CA 3.45Å; W146-P179 HydrophobicContact CE3-CB 3.85Å; W146-P179 HydrophobicContact CH2-CB 3.88Å; W146-P179 HydrophobicContact CH2-CG 4.15Å; W146-P179 HydrophobicContact CZ2-CB 4.05Å; W146-P179 VanDerWaalsContact CZ3-CA 3.46Å; W146-P179 HydrophobicContact CZ3-CB 3.79Å; W146-P179 HydrophobicContact CZ3-CG 4.33Å
147D92.3Very high76.8Confident44 Ų4469.5 Ų69.524%0.23538%0.38CS..EExtended strand (participates in β ladder)trans-95.9114.8163.4-179.8-10.1000108.2N128 S149 S150 L180N128-D147 WeakPolarHBondContact O-CA 3.48Å; D147-S149 VanDerWaalsContact CG-OG 3.31Å; D147-S149 PolarHBondContact O-N 3.41Å; D147-S149 WeakPolarHBondContact OD1-CA 3.37Å; D147-S149 WeakPolarHBondContact OD1-CB 3.41Å; D147-S149 PolarHBondContact OD1-N 2.95Å; D147-S149 PolarHBondContact OD1-OG 3.01Å; D147-S149 PolarHBondContact OD2-OG 3.34Å; D147-S150 WeakPolarHBondContact O-CB 3.47Å; D147-S150 PolarHBondContact O-N 3.35Å; D147-S150 VanDerWaalsContact O-N 3.11Å; D147-L180 HydrophobicContact CB-CD2 4.46Å
148I90.8Very high74Confident3 Ų373.1 Ų73.12%0.01541%0.406CS..THydrogen-bonded Turntrans-68-19.7-17859.5123.4000113.8Y70 L90 L104 K107 F109 W122 N128 L130 S150Y70-I148 HydrophobicContact CE2-CD1 4.35Å; L90-I148 HydrophobicContact CD1-CB 4.33Å; L90-I148 HydrophobicContact CD1-CG2 4.2Å; L104-I148 HydrophobicContact CD1-CD1 3.96Å; L104-I148 HydrophobicContact CD2-CB 4.45Å; L104-I148 HydrophobicContact CD2-CD1 3.92Å; L104-I148 WeakPolarHBondContact CD2-O 3.18Å; K107-I148 PolarHBondContact NZ-O 2.91Å; F109-I148 HydrophobicContact CE2-CG2 4.15Å; F109-I148 HydrophobicContact CZ-CB 4.15Å; F109-I148 HydrophobicContact CZ-CG2 3.8Å; W122-I148 HydrophobicContact CH2-CB 4Å; W122-I148 HydrophobicContact CH2-CD1 3.64Å; W122-I148 HydrophobicContact CH2-CG1 3.59Å; W122-I148 HydrophobicContact CH2-CG2 3.44Å; W122-I148 VanDerWaalsContact CH2-CG2 3.44Å; W122-I148 HydrophobicContact CZ2-CG2 4.04Å; W122-I148 HydrophobicContact CZ3-CD1 4.1Å; W122-I148 HydrophobicContact CZ3-CG1 3.85Å; W122-I148 HydrophobicContact CZ3-CG2 4.05Å; N128-I148 HydrophobicContact CB-CG1 4.25Å; N128-I148 VanDerWaalsContact O-CG1 3.23Å; N128-I148 WeakPolarHBondContact O-CG1 3.38Å; N128-I148 PolarHBondContact O-N 2.98Å; L130-I148 HydrophobicContact CB-CG2 4.05Å; L130-I148 HydrophobicContact CD2-CG2 4.29Å; I148-S150 VanDerWaalsContact C-N 3.34Å
149S86Confident71.5Confident55 Ų5567 Ų6739%0.38540%0.403SS..THydrogen-bonded Turntrans-85.8-8.5175.8750000113.1D147 K151D147-S149 VanDerWaalsContact CG-OG 3.31Å; D147-S149 PolarHBondContact O-N 3.41Å; D147-S149 WeakPolarHBondContact OD1-CA 3.37Å; D147-S149 WeakPolarHBondContact OD1-CB 3.41Å; D147-S149 PolarHBondContact OD1-N 2.95Å; D147-S149 PolarHBondContact OD1-OG 3.01Å; D147-S149 PolarHBondContact OD2-OG 3.34Å; S149-K151 PolarHBondContact O-N 2.9Å
150S80.2Confident69.3Low48 Ų4868.5 Ų68.534%0.33641%0.414SS..  trans-55.7129.7-179.2-166.30000111D147 I148D147-S150 WeakPolarHBondContact O-CB 3.47Å; D147-S150 PolarHBondContact O-N 3.35Å; D147-S150 VanDerWaalsContact O-N 3.11Å; I148-S150 VanDerWaalsContact C-N 3.34Å
151K66Low66.5Low180 Ų18077.4 Ų77.478%0.78346%0.456SS*.  trans-92.7139.4172.7-63.4-172-179.6-173.40108.4S149S149-K151 PolarHBondContact O-N 2.9Å
152F56.4Low63.9Low111 Ų11184.3 Ų84.349%0.48749%0.486SS..  trans-42.8136.6179.6176.9-104.7000113.4P154F152-P154 HydrophobicContact CD1-CB 4.29Å; F152-P154 HydrophobicContact CD1-CG 4.02Å; F152-P154 HydrophobicContact CE1-CB 3.37Å; F152-P154 HydrophobicContact CE1-CG 3.5Å; F152-P154 VanDerWaalsContact CE1-CG 3.5Å; F152-P154 HydrophobicContact CZ-CB 3.72Å; F152-P154 HydrophobicContact CZ-CG 4.34Å
153A44Very low61.1Low85 Ų8591.4 Ų91.470%0.70252%0.522SS*.  trans-118.9109.6168.200000108.7
154P45.3Very low58.3Low92 Ų92102.9 Ų102.960%0.59757%0.565SS**  trans-84.7114.917027.2-19.3000108.7F152F152-P154 HydrophobicContact CD1-CB 4.29Å; F152-P154 HydrophobicContact CD1-CG 4.02Å; F152-P154 HydrophobicContact CE1-CB 3.37Å; F152-P154 HydrophobicContact CE1-CG 3.5Å; F152-P154 VanDerWaalsContact CE1-CG 3.5Å; F152-P154 HydrophobicContact CZ-CB 3.72Å; F152-P154 HydrophobicContact CZ-CG 4.34Å
155E40Very low55.4Low183 Ų183110.1 Ų110.186%0.85560%0.603SS**  trans-139.9111.9151.5-75.9-160.2167.300112.2
156T39.7Very low52.3Low124 Ų124115.1 Ų115.176%0.76164%0.638SS**  trans26.3128133.121.20000121.9
157S38.1Very low49.5Very low112 Ų112120.7 Ų120.778%0.78368%0.678SS**  trans79.2126.1159.879.50000115.4
158V33.8Very low46.9Very low135 Ų135124.8 Ų124.882%0.81870%0.704SS**  cis-158.714942.1-178.50000111.3
159A33.9Very low44.5Very low93 Ų93132.7 Ų132.777%0.76975%0.746SS**  trans66.4113.8158.400000120.9
160A43Very low42.4Very low105 Ų105137.9 Ų137.987%0.86877%0.769SS**  trans-64128.5170.100000112.9
161E32.9Very low40.6Very low192 Ų192141.6 Ų141.690%0.89779%0.785SS**  trans-133.2128.2145.7-114.9179.3175.200109.8I163E161-I163 PolarHBondContact O-N 3.47Å
162K39.1Very low39.9Very low200 Ų200137.9 Ų137.987%0.8778%0.781SS**  trans-61.3119.7-168.7-75.8168.4172.21690112.3
163I36.1Very low39.9Very low150 Ų150136.3 Ų136.377%0.76979%0.785SS**  trans-117.2110.3149.2-62.8178.4000107.2E161 L165E161-I163 PolarHBondContact O-N 3.47Å; I163-L165 HydrophobicContact CG2-CD1 4.38Å; I163-L165 PolarHBondContact O-N 3.46Å
164R37.3Very low41.4Very low242 Ų242134.9 Ų134.991%0.91377%0.767SS**  trans-72.7110.1170-78.9-179.9169.5-175.2-3.1108.5
165L36.5Very low43.3Very low156 Ų156132.9 Ų132.982%0.81775%0.753SS**  trans-134.8141.9155.9-86.4160.7000109.1I163I163-L165 HydrophobicContact CG2-CD1 4.38Å; I163-L165 PolarHBondContact O-N 3.46Å
166S31.7Very low45.6Very low104 Ų104125 Ų12573%0.72772%0.717SS**  trans-56.6143.2-166.442.40000115.7V168S166-V168 PolarHBondContact O-N 2.89Å
167S37.2Very low47.9Very low121 Ų121123.3 Ų123.385%0.84671%0.707SS**  trans-60108.2169.752.60000112.7
168V36.4Very low50.4Low129 Ų129126.1 Ų126.178%0.78271%0.705SS**  trans-140.3122.2147-177.40000105.8S166 L170S166-V168 PolarHBondContact O-N 2.89Å; V168-L170 PolarHBondContact O-N 3.17Å
169D41.7Very low53.2Low170 Ų170120.3 Ų120.391%0.90967%0.67SS**  trans-55.6118.2176.8-70-49.8000110.9
170L41.1Very low56Low163 Ų163120.1 Ų120.185%0.85366%0.656SS**  trans-147130.1166.8-166.865.1000110.1V168 S172V168-L170 PolarHBondContact O-N 3.17Å; L170-S172 PolarHBondContact O-N 3.44Å
171D43.2Very low58.5Low126 Ų126118.1 Ų118.167%0.67463%0.626SS**  trans-44119.4-170.4-68.2-43.2000114.8S173D171-S173 PolarHBondContact O-N 2.71Å
172S50.7Low61.4Low102 Ų102111.9 Ų111.971%0.71360%0.597SS**THydrogen-bonded Turntrans-69.416.6175.559.40000114.6L170L170-S172 PolarHBondContact O-N 3.44Å
173S57.3Low64Low79 Ų79102.6 Ų102.655%0.55256%0.557SS**THydrogen-bonded Turntrans-95.9-7.9-171.966.10000114.6D171D171-S173 PolarHBondContact O-N 2.71Å
174T74.4Confident66.6Low54 Ų5495.8 Ų95.833%0.33152%0.524SS..SBendtrans-99.9-7.6-172.155.90000114.8K107 E108K107-T174 CarbonylContact C-O 3.49Å; K107-T174 VanDerWaalsContact CA-O 3.27Å; K107-T174 WeakPolarHBondContact CA-O 3.48Å; E108-T174 PolarHBondContact N-O 2.72Å
175V86.1Confident69.1Low50 Ų5089.7 Ų89.730%0.30351%0.506SS..EExtended strand (participates in β ladder)trans-102.8126.6-173.8-1740000111.9E108 V110 T177E108-V175 HydrophobicContact CB-CG2 4.37Å; E108-V175 CarbonylContact O-C 3.53Å; E108-V175 WeakPolarHBondContact O-CA 3.46Å; V110-V175 HydrophobicContact CB-CG1 4.4Å; V110-V175 HydrophobicContact CG2-CG1 3.68Å; V175-T177 HydrophobicContact CG1-CG2 4.22Å
176V87.6Confident71.5Confident17 Ų1785.3 Ų85.310%0.10348%0.483CS..EExtended strand (participates in β ladder)trans-114.2123177.8-177.40000109.6E108 F109 V110 W146E108-V176 PolarHBondContact O-N 2.99Å; F109-V176 CarbonylContact C-O 3.46Å; F109-V176 WeakPolarHBondContact CA-O 3.17Å; F109-V176 HydrophobicContact CD1-CB 3.62Å; F109-V176 HydrophobicContact CD1-CG1 3.93Å; F109-V176 HydrophobicContact CD1-CG2 4.1Å; F109-V176 HydrophobicContact CE1-CB 3.93Å; F109-V176 HydrophobicContact CE1-CG1 4.22Å; F109-V176 HydrophobicContact CE1-CG2 3.88Å; V110-V176 PolarHBondContact N-O 2.8Å; W146-V176 HydrophobicContact CE3-CG1 3.97Å; W146-V176 HydrophobicContact CZ3-CG1 4.06Å
177T88Confident74.4Confident89 Ų8982.1 Ų82.155%0.54646%0.458SS..  trans-114.6-14.4-175.155.70000114.2V110 V175V110-T177 HydrophobicContact CB-CG2 4.44Å; V175-T177 HydrophobicContact CG1-CG2 4.22Å
178K90Very high77.1Confident172 Ų17277 Ų7775%0.74842%0.423SS*.  trans-104.7109.6179.4-172.5177.7179.3-179.80111
179P92.6Very high80Confident12 Ų1270.9 Ų70.98%0.07839%0.386CS..  trans-72155.7175.830.2-34.9000111.1L144 W146 E182L144-P179 HydrophobicContact CB-CB 4.2Å; L144-P179 HydrophobicContact CD2-CG 4.21Å; W146-P179 HydrophobicContact CD2-CB 4.04Å; W146-P179 VanDerWaalsContact CE3-CA 3.45Å; W146-P179 HydrophobicContact CE3-CB 3.85Å; W146-P179 HydrophobicContact CH2-CB 3.88Å; W146-P179 HydrophobicContact CH2-CG 4.15Å; W146-P179 HydrophobicContact CZ2-CB 4.05Å; W146-P179 VanDerWaalsContact CZ3-CA 3.46Å; W146-P179 HydrophobicContact CZ3-CB 3.79Å; W146-P179 HydrophobicContact CZ3-CG 4.33Å; P179-E182 HydrophobicContact CB-CG 4.42Å; P179-E182 HydrophobicContact CG-CG 3.48Å; P179-E182 VanDerWaalsContact CG-CG 3.48Å; P179-E182 WeakPolarHBondContact CG-OE1 3.35Å
180L93.4Very high82.5Confident90 Ų9065.6 Ų65.647%0.47136%0.358SS..SBendtrans-74-39.5175.9-176.365.1000111.3L129 I145 D147L129-L180 HydrophobicContact CD2-CD2 3.65Å; I145-L180 WeakPolarHBondContact O-CA 3.19Å; I145-L180 WeakPolarHBondContact O-CB 3.39Å; I145-L180 PolarHBondContact O-N 2.94Å; D147-L180 HydrophobicContact CB-CD2 4.46Å
181Y94.4Very high85.2Confident62 Ų6258.1 Ų58.124%0.24332%0.319CS..EExtended strand (participates in β ladder)trans-132.8139.3175.3-56.5-80.6000111.1I145 L215 T218I145-Y181 HydrophobicContact CB-CD2 4.04Å; I145-Y181 HydrophobicContact CD1-CD2 4.21Å; I145-Y181 HydrophobicContact CD1-CG 4.49Å; I145-Y181 HydrophobicContact CG2-CD2 4.15Å; I145-Y181 PolarHBondContact N-O 3.48Å; I145-Y181 PolarHBondContact O-N 2.86Å; Y181-L215 HydrophobicContact CD2-CD1 4.34Å; Y181-L215 HydrophobicContact CD2-CD2 4.26Å; Y181-L215 HydrophobicContact CE1-CB 4.47Å; Y181-L215 HydrophobicContact CE2-CB 4.49Å; Y181-L215 HydrophobicContact CE2-CD1 4.1Å; Y181-L215 HydrophobicContact CG-CD2 4.24Å; Y181-T218 HydrophobicContact CD1-CG2 3.8Å; Y181-T218 HydrophobicContact CE1-CG2 4.22Å
182E94.7Very high87.7Confident62 Ų6252.7 Ų52.729%0.2929%0.289SS..EExtended strand (participates in β ladder)trans-120.2115.1175.6-59.3-174.7146.300108.4K112 F141 L144 P179K112-E182 IonicContact NZ-OE1 2.71Å; K112-E182 PolarHBondContact NZ-OE1 3.03Å; K112-E182 IonicContact NZ-OE2 3.47Å; K112-E182 PolarHBondContact NZ-OE2 3.31Å; F141-E182 HydrophobicContact CB-CB 3.94Å; F141-E182 HydrophobicContact CD1-CB 4.19Å; F141-E182 HydrophobicContact CD2-CB 3.5Å; F141-E182 HydrophobicContact CD2-CG 4.31Å; F141-E182 HydrophobicContact CE2-CB 3.95Å; F141-E182 HydrophobicContact CG-CB 3.62Å; F141-E182 HydrophobicContact CZ-CB 4.47Å; L144-E182 HydrophobicContact CD2-CB 4.41Å; L144-E182 HydrophobicContact CD2-CG 4.15Å; P179-E182 HydrophobicContact CB-CG 4.42Å; P179-E182 HydrophobicContact CG-CG 3.48Å; P179-E182 VanDerWaalsContact CG-CG 3.48Å; P179-E182 WeakPolarHBondContact CG-OE1 3.35Å
183L94.7Very high89.8Confident4 Ų449.1 Ų49.12%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-131.6154.5-171.8-58.9171.5000111.3F141 S142 V143 I145 F213 L215 T218F141-L183 WeakPolarHBondContact CB-O 3.36Å; S142-L183 PolarHBondContact N-O 3.31Å; V143-L183 HydrophobicContact CB-CB 3.95Å; V143-L183 HydrophobicContact CG1-CB 4.22Å; V143-L183 HydrophobicContact CG1-CD1 4.4Å; V143-L183 PolarHBondContact N-O 2.95Å; V143-L183 PolarHBondContact O-N 3.44Å; I145-L183 HydrophobicContact CD1-CD1 4.08Å; L183-F213 HydrophobicContact CB-CD1 4.26Å; L183-F213 HydrophobicContact CB-CE1 4.22Å; L183-F213 HydrophobicContact CB-CG 4.47Å; L183-F213 HydrophobicContact CB-CZ 4.39Å; L183-F213 HydrophobicContact CD1-CB 3.85Å; L183-F213 HydrophobicContact CD1-CD1 4.28Å; L183-F213 HydrophobicContact CD1-CD2 4.4Å; L183-F213 HydrophobicContact CD1-CG 3.94Å; L183-F213 HydrophobicContact CD2-CD1 4.14Å; L183-F213 HydrophobicContact CG-CD1 4.47Å; L183-L215 HydrophobicContact CD1-CD2 3.94Å; L183-T218 HydrophobicContact CD2-CG2 3.86Å
184G89.4Confident91.6Very high8 Ų845.9 Ų45.98%0.08224%0.24CC..EExtended strand (participates in β ladder)trans7162.8175.300000113.9S142S142-G184 PolarHBondContact N-O 2.92Å; S142-G184 VanDerWaalsContact N-O 3.1Å; S142-G184 PolarHBondContact OG-O 3.03Å
185Q90.6Very high92.5Very high113 Ų11343.4 Ų43.453%0.52823%0.225SC..EExtended strand (participates in β ladder)trans-65139.5177.9-160.5178.112.600111.6F141 D187F141-Q185 HydrophobicContact CD1-CB 3.86Å; F141-Q185 HydrophobicContact CD1-CG 4.37Å; F141-Q185 HydrophobicContact CE1-CB 3.75Å; F141-Q185 HydrophobicContact CE1-CG 4.12Å; F141-Q185 HydrophobicContact CZ-CG 4.43Å; Q185-D187 PolarHBondContact O-N 3.43Å; Q185-D187 VanDerWaalsContact O-N 3.09Å
186N86.5Confident92.5Very high64 Ų6445.5 Ų45.534%0.34223%0.234SC..THydrogen-bonded Turntrans64.65.3171.6-63.7-31.8000117.8K136 R138 D140K136-N186 WeakPolarHBondContact CD-O 3.46Å; K136-N186 WeakPolarHBondContact CE-O 3.43Å; K136-N186 PolarHBondContact NZ-O 3.5Å; R138-N186 PolarHBondContact O-OD1 3.36Å; D140-N186 PolarHBondContact O-N 3.13Å
187D91.9Very high92.4Very high38 Ų3849.7 Ų49.720%0.20325%0.248CC..SBendtrans-116.8160.1176-74-31.6000110.8S142 Q185 M206 H207S142-D187 WeakPolarHBondContact CB-O 3.4Å; S142-D187 PolarHBondContact OG-O 3.2Å; Q185-D187 PolarHBondContact O-N 3.43Å; Q185-D187 VanDerWaalsContact O-N 3.09Å; D187-M206 HydrophobicContact CB-CE 3.91Å; D187-H207 HydrophobicContact CB-CB 4.28Å
188A94.9Very high92.5Very high14 Ų1447.3 Ų47.312%0.11623%0.232CC..  trans-88.4146.3168.300000109.7K136 M206 H207K136-A188 HydrophobicContact CB-CB 3.93Å; A188-M206 CarbonylContact O-C 3.58Å; A188-M206 VanDerWaalsContact O-CA 3.29Å; A188-M206 WeakPolarHBondContact O-CA 3.45Å; A188-H207 PolarHBondContact O-N 3.03Å
189C96.6Very high92.4Very high0 Ų041.4 Ų41.40%021%0.21CC..EExtended strand (participates in β ladder)trans-108.6123.4169.7-175.90000109.4N118 L134 V143 L192 G205 M206N118-C189 WeakPolarHBondContact CB-O 3.36Å; N118-C189 PolarHBondContact ND2-O 3.33Å; L134-C189 PolarHBondContact O-N 2.96Å; V143-C189 HydrophobicContact CG2-CB 3.65Å; C189-L192 VanDerWaalsContact SG-CD2 3.58Å; C189-G205 WeakPolarHBondContact CA-O 3.45Å; C189-M206 HydrophobicContact CB-CE 4.34Å; C189-M206 HydrophobicContact CB-SD 3.89Å
190L95.5Very high92.4Very high59 Ų5943.6 Ų43.631%0.30922%0.219SC..EExtended strand (participates in β ladder)trans-105.7-27.2-176-62.7-177000113G205 I229L190-G205 PolarHBondContact N-O 3.13Å; L190-I229 WeakPolarHBondContact CB-O 3.23Å; L190-I229 HydrophobicContact CD1-CD1 3.72Å; L190-I229 HydrophobicContact CD1-CG1 4.02Å; L190-I229 HydrophobicContact CG-CD1 4.5Å
191S96.4Very high92.5Very high5 Ų540.1 Ų40.14%0.03520%0.2CC..EExtended strand (participates in β ladder)trans-148.6143.1-178.365.10000111.7A204 G205 I229 V232S191-A204 WeakPolarHBondContact O-CA 3.43Å; S191-G205 PolarHBondContact O-N 3.45Å; S191-I229 PolarHBondContact OG-O 2.77Å; S191-V232 WeakPolarHBondContact OG-CG2 3.44Å
192L96.4Very high92.5Very high12 Ų1237.1 Ų37.16%0.06319%0.189CC..EExtended strand (participates in β ladder)trans-132.9143.4179-72.2174.8000111.2T119 A121 A131 G133 V143 C189 L202 L203 A204T119-L192 HydrophobicContact CG2-CB 3.97Å; T119-L192 HydrophobicContact CG2-CD1 3.85Å; T119-L192 HydrophobicContact CG2-CG 3.61Å; T119-L192 PolarHBondContact OG1-N 2.82Å; A121-L192 HydrophobicContact CB-CB 3.99Å; A131-L192 HydrophobicContact CB-CD1 4.02Å; G133-L192 VanDerWaalsContact N-CD1 3.32Å; V143-L192 HydrophobicContact CG1-CD2 4.22Å; V143-L192 HydrophobicContact CG2-CD2 4.19Å; C189-L192 VanDerWaalsContact SG-CD2 3.58Å; L192-L202 HydrophobicContact CD2-CD1 4.3Å; L192-L202 HydrophobicContact CD2-CD2 4.13Å; L192-L202 HydrophobicContact CD2-CG 4.24Å; L192-L203 WeakPolarHBondContact CA-O 3.46Å; L192-A204 HydrophobicContact CD2-CB 3.54Å
193C95.3Very high92.6Very high28 Ų2834.2 Ų34.219%0.18918%0.175CC..EExtended strand (participates in β ladder)trans-151.3135.8168.5-167.40000110.8L203 V232 V234C193-L203 PolarHBondContact N-O 2.99Å; C193-L203 PolarHBondContact O-N 3.38Å; C193-V232 HydrophobicContact CB-CG1 4.2Å; C193-V234 HydrophobicContact CB-CG2 4.4Å; C193-V234 WeakPolarHBondContact SG-CG2 3.25Å
194W95.2Very high92.7Very high10 Ų1034 Ų344%0.03817%0.174CC..EExtended strand (participates in β ladder)trans-78.4138.4172-67.495000110.3A121 W122 N123 P124 L129 A131 I145 L202 L215A121-W194 PolarHBondContact O-NE1 2.84Å; W122-W194 VanDerWaalsContact C-CD1 3.42Å; N123-W194 HydrophobicContact CB-CD2 3.97Å; N123-W194 HydrophobicContact CB-CE3 4.43Å; N123-W194 HydrophobicContact CB-CG 4.35Å; N123-W194 HydrophobicContact CB-CH2 4.33Å; N123-W194 HydrophobicContact CB-CZ2 3.9Å; N123-W194 WeakPolarHBondContact ND2-CZ3 3.46Å; P124-W194 HydrophobicContact CG-CB 4.45Å; L129-W194 HydrophobicContact CB-CH2 4.45Å; L129-W194 HydrophobicContact CB-CZ2 4.34Å; L129-W194 HydrophobicContact CD1-CH2 4.4Å; A131-W194 HydrophobicContact CB-CZ2 3.96Å; I145-W194 HydrophobicContact CD1-CH2 4.07Å; I145-W194 HydrophobicContact CD1-CZ2 4.49Å; I145-W194 HydrophobicContact CG2-CH2 4.5Å; I145-W194 HydrophobicContact CG2-CZ2 4.49Å; W194-L202 HydrophobicContact CD2-CD1 3.77Å; W194-L202 HydrophobicContact CE3-CB 4.18Å; W194-L202 HydrophobicContact CE3-CD1 4.12Å; W194-L202 HydrophobicContact CG-CD1 4.11Å; W194-L202 HydrophobicContact CZ2-CD1 4.34Å; W194-L202 HydrophobicContact CZ3-CB 4.2Å; W194-L215 HydrophobicContact CH2-CD1 3.67Å; W194-L215 HydrophobicContact CZ3-CD1 3.7Å
195L92.8Very high93.1Very high3 Ų333.7 Ų33.72%0.01617%0.17CC..  trans-82.4125.5178.9-59.5-174.4000110.5R197 D198 L201 L203 I212 V234 L255L195-R197 HydrophobicContact CB-CG 4.31Å; L195-R197 PolarHBondContact O-N 2.76Å; L195-D198 CarbonylContact O-C 3.56Å; L195-D198 PolarHBondContact O-N 2.88Å; L195-D198 VanDerWaalsContact O-O 3.06Å; L195-L201 HydrophobicContact CB-CB 4.11Å; L195-L201 HydrophobicContact CD1-CB 3.83Å; L195-L201 HydrophobicContact CD1-CD1 4.1Å; L195-L201 HydrophobicContact CG-CB 4.18Å; L195-L201 PolarHBondContact N-O 3.23Å; L195-L201 VanDerWaalsContact N-O 3.12Å; L195-L203 HydrophobicContact CD2-CB 3.89Å; L195-L203 HydrophobicContact CD2-CD2 4.27Å; L195-L203 HydrophobicContact CG-CB 4.37Å; L195-I212 HydrophobicContact CD1-CG2 4.2Å; L195-V234 HydrophobicContact CD2-CG2 4.1Å; L195-L255 HydrophobicContact CD1-CD1 3.68Å; L195-L255 HydrophobicContact CD2-CD1 3.53Å; L195-L255 HydrophobicContact CG-CD1 4.23Å
196L85.6Confident93.3Very high94 Ų9428.3 Ų28.349%0.49215%0.145SC..THydrogen-bonded Turntrans-66.9-20.3-176.3-59.5177.9000113.5P124 V234 P239P124-L196 HydrophobicContact CG-CD2 4Å; L196-V234 HydrophobicContact CD1-CG1 4.33Å; L196-V234 HydrophobicContact CG-CG1 4.43Å; L196-P239 HydrophobicContact CB-CB 4.22Å; L196-P239 HydrophobicContact CB-CG 4.45Å
197R85.8Confident93.6Very high105 Ų10529.3 Ų29.340%0.39615%0.148SC..THydrogen-bonded Turntrans-71.6-31.4178.473.6-173.8-174.9-175.70.9113.8L195 P239 D240L195-R197 HydrophobicContact CB-CG 4.31Å; L195-R197 PolarHBondContact O-N 2.76Å; R197-P239 HydrophobicContact CB-CB 4.17Å; R197-D240 WeakPolarHBondContact CD-OD1 3.45Å; R197-D240 IonicContact CZ-OD1 3.15Å; R197-D240 IonicContact NE-OD1 2.8Å; R197-D240 IonicContact NH1-OD1 2.88Å; R197-D240 PolarHBondContact NH1-OD1 3.23Å
198D89.4Confident93.5Very high39 Ų3935.8 Ų35.821%0.20917%0.169CC..  trans-151.9119.2-177.2-174.3-16.9000110.3L195 K200 L201 R216L195-D198 CarbonylContact O-C 3.56Å; L195-D198 PolarHBondContact O-N 2.88Å; L195-D198 VanDerWaalsContact O-O 3.06Å; D198-K200 PolarHBondContact O-N 3.3Å; D198-K200 PolarHBondContact OD1-N 2.9Å; D198-L201 HydrophobicContact CB-CB 4.49Å; D198-L201 HydrophobicContact CB-CD1 3.84Å; D198-L201 HydrophobicContact CB-CG 3.87Å; D198-L201 PolarHBondContact O-N 3.16Å; D198-R216 IonicContact OD1-NH1 3.13Å; D198-R216 IonicContact OD2-CZ 3.19Å; D198-R216 IonicContact OD2-NH1 2.86Å; D198-R216 PolarHBondContact OD2-NH1 3.04Å; D198-R216 IonicContact OD2-NH2 3.72Å; D198-R216 PolarHBondContact OD2-NH2 3.4Å
199T88.8Confident93.5Very high48 Ų4835.8 Ų35.829%0.29417%0.167SC..THydrogen-bonded Turntrans-59.1-18-177.4680000114.7N123 V125N123-T199 PolarHBondContact ND2-O 3.39Å; V125-T199 HydrophobicContact CB-CG2 3.51Å; V125-T199 HydrophobicContact CG1-CG2 3.73Å; V125-T199 HydrophobicContact CG2-CG2 3.68Å
200K92.8Very high93.5Very high58 Ų5835.9 Ų35.925%0.25217%0.167SC..THydrogen-bonded Turntrans-99.33.8180-58.4-55.5179.7-171.20113.4D126 D198 L215 R216D126-K200 IonicContact OD2-NZ 3.59Å; D126-K200 PolarHBondContact OD2-NZ 3.17Å; D198-K200 PolarHBondContact O-N 3.3Å; D198-K200 PolarHBondContact OD1-N 2.9Å; K200-L215 HydrophobicContact CB-CB 4.31Å; K200-L215 HydrophobicContact CD-CB 4.48Å; K200-L215 WeakPolarHBondContact O-CG 3.47Å; K200-L215 PolarHBondContact O-N 3Å; K200-R216 HydrophobicContact CB-CG 4.24Å; K200-R216 HydrophobicContact CG-CG 4.32Å
201L94.4Very high93.5Very high16 Ų1633 Ų338%0.08415%0.153CC..EExtended strand (participates in β ladder)trans-103.2127.4176.7-60.4-178.1000111.8L195 D198 I212 F213 D214L195-L201 HydrophobicContact CB-CB 4.11Å; L195-L201 HydrophobicContact CD1-CB 3.83Å; L195-L201 HydrophobicContact CD1-CD1 4.1Å; L195-L201 HydrophobicContact CG-CB 4.18Å; L195-L201 PolarHBondContact N-O 3.23Å; L195-L201 VanDerWaalsContact N-O 3.12Å; D198-L201 HydrophobicContact CB-CB 4.49Å; D198-L201 HydrophobicContact CB-CD1 3.84Å; D198-L201 HydrophobicContact CB-CG 3.87Å; D198-L201 PolarHBondContact O-N 3.16Å; L201-I212 HydrophobicContact CB-CG2 4.44Å; L201-I212 HydrophobicContact CD2-CG2 4.36Å; L201-F213 WeakPolarHBondContact CA-O 3.29Å; L201-D214 HydrophobicContact CD2-CB 3.73Å
202L95.8Very high93.4Very high0 Ų033.4 Ų33.40%015%0.154CC..EExtended strand (participates in β ladder)trans-119.8124177.7-179.767.8000109.7A131 V143 I145 L192 W194 I212 F213A131-L202 HydrophobicContact CB-CD1 4.38Å; A131-L202 HydrophobicContact CB-CD2 4.19Å; V143-L202 HydrophobicContact CG1-CD2 3.8Å; I145-L202 HydrophobicContact CD1-CD2 3.94Å; I145-L202 HydrophobicContact CG1-CD2 4.48Å; L192-L202 HydrophobicContact CD2-CD1 4.3Å; L192-L202 HydrophobicContact CD2-CD2 4.13Å; L192-L202 HydrophobicContact CD2-CG 4.24Å; W194-L202 HydrophobicContact CD2-CD1 3.77Å; W194-L202 HydrophobicContact CE3-CB 4.18Å; W194-L202 HydrophobicContact CE3-CD1 4.12Å; W194-L202 HydrophobicContact CG-CD1 4.11Å; W194-L202 HydrophobicContact CZ2-CD1 4.34Å; W194-L202 HydrophobicContact CZ3-CB 4.2Å; L202-I212 WeakPolarHBondContact O-CA 3.28Å; L202-F213 PolarHBondContact N-O 2.95Å; L202-F213 PolarHBondContact O-N 3.23Å
203L96.8Very high93.4Very high1 Ų133.1 Ų33.11%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-95.3128.4172.8177.663000109.8L192 C193 L195 L210 I212 V232 V242 F258L192-L203 WeakPolarHBondContact CA-O 3.46Å; C193-L203 PolarHBondContact N-O 2.99Å; C193-L203 PolarHBondContact O-N 3.38Å; L195-L203 HydrophobicContact CD2-CB 3.89Å; L195-L203 HydrophobicContact CD2-CD2 4.27Å; L195-L203 HydrophobicContact CG-CB 4.37Å; L203-L210 HydrophobicContact CD1-CB 4.33Å; L203-I212 HydrophobicContact CD1-CG1 3.69Å; L203-V232 HydrophobicContact CD2-CG1 3.49Å; L203-V232 VanDerWaalsContact CD2-CG1 3.49Å; L203-V232 HydrophobicContact CG-CG1 4.02Å; L203-V242 HydrophobicContact CD2-CB 4.39Å; L203-V242 HydrophobicContact CD2-CG1 3.7Å; L203-V242 HydrophobicContact CD2-CG2 4.13Å; L203-F258 HydrophobicContact CD1-CZ 4.18Å
204A96.9Very high93.3Very high0 Ų033.8 Ų33.80%015%0.154CC..EExtended strand (participates in β ladder)trans-128.8131.4-176.700000112V143 S191 L192 M206 L210 A211 F213V143-A204 HydrophobicContact CG2-CB 4.43Å; S191-A204 WeakPolarHBondContact O-CA 3.43Å; L192-A204 HydrophobicContact CD2-CB 3.54Å; A204-M206 HydrophobicContact CB-CG 4.17Å; A204-M206 HydrophobicContact CB-SD 3.72Å; A204-M206 PolarHBondContact O-N 3.07Å; A204-L210 WeakPolarHBondContact O-CA 3.49Å; A204-A211 PolarHBondContact N-O 3.48Å; A204-A211 PolarHBondContact O-N 2.89Å; A204-F213 HydrophobicContact CB-CD2 4.15Å; A204-F213 HydrophobicContact CB-CE2 3.86Å
205G96.9Very high93.2Very high0 Ų033.8 Ų33.80%016%0.155CC..EExtended strand (participates in β ladder)trans-81.694.2166.500000109.9C189 L190 S191C189-G205 WeakPolarHBondContact CA-O 3.45Å; L190-G205 PolarHBondContact N-O 3.13Å; S191-G205 PolarHBondContact O-N 3.45Å
206M95.3Very high93.2Very high0 Ų041 Ų410%018%0.182CC..EExtended strand (participates in β ladder)trans-93.8166.2178.2-50.6-62.1-63.500110.1S142 V143 D187 A188 C189 A204 R208 N209 A211 F213 I229S142-M206 WeakPolarHBondContact OG-CE 3.39Å; V143-M206 HydrophobicContact CG2-CE 4.28Å; V143-M206 HydrophobicContact CG2-SD 3.83Å; D187-M206 HydrophobicContact CB-CE 3.91Å; A188-M206 CarbonylContact O-C 3.58Å; A188-M206 VanDerWaalsContact O-CA 3.29Å; A188-M206 WeakPolarHBondContact O-CA 3.45Å; C189-M206 HydrophobicContact CB-CE 4.34Å; C189-M206 HydrophobicContact CB-SD 3.89Å; A204-M206 HydrophobicContact CB-CG 4.17Å; A204-M206 HydrophobicContact CB-SD 3.72Å; A204-M206 PolarHBondContact O-N 3.07Å; M206-R208 PolarHBondContact O-N 3.23Å; M206-N209 CarbonylContact C-O 3.54Å; M206-N209 WeakPolarHBondContact CA-O 3.46Å; M206-N209 WeakPolarHBondContact CB-OD1 3.38Å; M206-N209 PolarHBondContact N-O 3.24Å; M206-N209 PolarHBondContact O-N 3.37Å; M206-N209 VanDerWaalsContact O-N 3.12Å; M206-A211 HydrophobicContact CG-CB 4.01Å; M206-F213 HydrophobicContact CG-CE2 4.47Å; M206-F213 HydrophobicContact SD-CE2 4.23Å; M206-I229 WeakPolarHBondContact O-CD1 3.28Å
207H92.3Very high93.5Very high86 Ų8640 Ų4040%0.39818%0.177SC..THydrogen-bonded Turntrans-54.4110.7177.6-170.270.1000112.4D187 A188 N209D187-H207 HydrophobicContact CB-CB 4.28Å; A188-H207 PolarHBondContact O-N 3.03Å; H207-N209 VanDerWaalsContact C-N 3.29Å; H207-N209 PolarHBondContact O-N 3.26Å; H207-N209 PolarHBondContact O-ND2 3.46Å
208R90.1Very high93.6Very high174 Ų17438 Ų3866%0.65718%0.177SC*.THydrogen-bonded Turntrans67.79.2-179.2-52.3176.4-175.6-158.9-4116.7M206 N225 T226M206-R208 PolarHBondContact O-N 3.23Å; R208-N225 WeakPolarHBondContact O-CA 3.2Å; R208-T226 CarbonylContact C-O 3.57Å; R208-T226 WeakPolarHBondContact CA-O 3.4Å; R208-T226 PolarHBondContact O-N 3.47Å; R208-T226 VanDerWaalsContact O-O 3.1Å
209N94.4Very high93.4Very high14 Ų1441.5 Ų41.58%0.07520%0.204CC..EExtended strand (participates in β ladder)trans-148.8151.5174.360.675000113M206 H207 F223 V224M206-N209 CarbonylContact C-O 3.54Å; M206-N209 WeakPolarHBondContact CA-O 3.46Å; M206-N209 WeakPolarHBondContact CB-OD1 3.38Å; M206-N209 PolarHBondContact N-O 3.24Å; M206-N209 PolarHBondContact O-N 3.37Å; M206-N209 VanDerWaalsContact O-N 3.12Å; H207-N209 VanDerWaalsContact C-N 3.29Å; H207-N209 PolarHBondContact O-N 3.26Å; H207-N209 PolarHBondContact O-ND2 3.46Å; N209-F223 HydrophobicContact CB-CD2 4.01Å; N209-V224 CarbonylContact C-O 3.58Å; N209-V224 WeakPolarHBondContact CA-O 3.45Å; N209-V224 VanDerWaalsContact CB-O 3.23Å; N209-V224 WeakPolarHBondContact CB-O 3.23Å
210L96.3Very high93.3Very high1 Ų145.9 Ų45.91%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-93.4125.5161.4-71.9169.4000107.7L203 A204 F223 V224 T226 I229 V232 W253 F258L203-L210 HydrophobicContact CD1-CB 4.33Å; A204-L210 WeakPolarHBondContact O-CA 3.49Å; L210-F223 CarbonylContact O-C 3.58Å; L210-F223 WeakPolarHBondContact O-CA 3.26Å; L210-F223 WeakPolarHBondContact O-CB 3.42Å; L210-V224 HydrophobicContact CB-CG1 3.96Å; L210-V224 PolarHBondContact N-O 3.49Å; L210-V224 PolarHBondContact O-N 3.26Å; L210-T226 HydrophobicContact CB-CG2 4.19Å; L210-T226 HydrophobicContact CD1-CG2 3.67Å; L210-T226 HydrophobicContact CG-CG2 3.54Å; L210-I229 HydrophobicContact CD2-CG2 4.32Å; L210-I229 HydrophobicContact CG-CG2 4.36Å; L210-V232 HydrophobicContact CD2-CG2 3.52Å; L210-W253 HydrophobicContact CD1-CD2 4.35Å; L210-W253 HydrophobicContact CD1-CZ2 3.86Å; L210-F258 HydrophobicContact CB-CE2 4.43Å; L210-F258 HydrophobicContact CB-CZ 3.81Å
211A95.5Very high93.2Very high0 Ų047 Ų470%023%0.226CC..EExtended strand (participates in β ladder)trans-122132.7-177.300000111.2A204 M206 F213 K221 T222 F223A204-A211 PolarHBondContact N-O 3.48Å; A204-A211 PolarHBondContact O-N 2.89Å; M206-A211 HydrophobicContact CG-CB 4.01Å; A211-F213 HydrophobicContact CB-CE2 3.92Å; A211-F213 HydrophobicContact CB-CZ 4.1Å; A211-K221 HydrophobicContact CB-CD 4.17Å; A211-T222 CarbonylContact C-O 3.14Å; A211-T222 WeakPolarHBondContact CA-O 3.2Å; A211-F223 HydrophobicContact CB-CB 4.1Å
212I95.6Very high93.1Very high12 Ų1250.3 Ų50.36%0.06225%0.247CC..EExtended strand (participates in β ladder)trans-99.6119.2170.3-57.4169.9000107.4L195 L201 L202 L203 T222 L255 F258L195-I212 HydrophobicContact CD1-CG2 4.2Å; L201-I212 HydrophobicContact CB-CG2 4.44Å; L201-I212 HydrophobicContact CD2-CG2 4.36Å; L202-I212 WeakPolarHBondContact O-CA 3.28Å; L203-I212 HydrophobicContact CD1-CG1 3.69Å; I212-T222 PolarHBondContact N-O 2.9Å; I212-T222 PolarHBondContact O-N 2.99Å; I212-T222 VanDerWaalsContact O-N 3.14Å; I212-L255 HydrophobicContact CD1-CD2 4.17Å; I212-F258 HydrophobicContact CD1-CD1 3.69Å; I212-F258 HydrophobicContact CD1-CE1 3.68Å; I212-F258 HydrophobicContact CD1-CG 4.24Å; I212-F258 HydrophobicContact CD1-CZ 4.21Å; I212-F258 HydrophobicContact CG1-CD1 4.35Å; I212-F258 HydrophobicContact CG1-CE1 3.84Å; I212-F258 HydrophobicContact CG1-CZ 4.26Å
213F95.4Very high93.1Very high7 Ų755.3 Ų55.33%0.03127%0.269CS..EExtended strand (participates in β ladder)trans-100.9134174.1-64.4-78.4000110L183 L201 L202 A204 M206 A211 K221L183-F213 HydrophobicContact CB-CD1 4.26Å; L183-F213 HydrophobicContact CB-CE1 4.22Å; L183-F213 HydrophobicContact CB-CG 4.47Å; L183-F213 HydrophobicContact CB-CZ 4.39Å; L183-F213 HydrophobicContact CD1-CB 3.85Å; L183-F213 HydrophobicContact CD1-CD1 4.28Å; L183-F213 HydrophobicContact CD1-CD2 4.4Å; L183-F213 HydrophobicContact CD1-CG 3.94Å; L183-F213 HydrophobicContact CD2-CD1 4.14Å; L183-F213 HydrophobicContact CG-CD1 4.47Å; L201-F213 WeakPolarHBondContact CA-O 3.29Å; L202-F213 PolarHBondContact N-O 2.95Å; L202-F213 PolarHBondContact O-N 3.23Å; A204-F213 HydrophobicContact CB-CD2 4.15Å; A204-F213 HydrophobicContact CB-CE2 3.86Å; M206-F213 HydrophobicContact CG-CE2 4.47Å; M206-F213 HydrophobicContact SD-CE2 4.23Å; A211-F213 HydrophobicContact CB-CE2 3.92Å; A211-F213 HydrophobicContact CB-CZ 4.1Å; F213-K221 HydrophobicContact CD1-CB 3.91Å; F213-K221 HydrophobicContact CE1-CB 3.86Å; F213-K221 HydrophobicContact CE1-CD 3.81Å; F213-K221 HydrophobicContact CE1-CG 4.45Å; F213-K221 HydrophobicContact CZ-CD 4.09Å
214D94.2Very high93Very high42 Ų4256 Ų5623%0.22527%0.273CS..EExtended strand (participates in β ladder)trans-102.8117.4170.9-169.8-28.5000109.3L201 R216 N217 T218L201-D214 HydrophobicContact CD2-CB 3.73Å; D214-R216 PolarHBondContact O-N 2.96Å; D214-R216 VanDerWaalsContact O-N 3.17Å; D214-R216 VanDerWaalsContact OD1-CB 3.23Å; D214-R216 WeakPolarHBondContact OD1-CB 3.49Å; D214-R216 WeakPolarHBondContact OD1-CG 3.47Å; D214-R216 IonicContact OD1-CZ 3.61Å; D214-R216 PolarHBondContact OD1-N 3.06Å; D214-R216 IonicContact OD1-NE 2.68Å; D214-R216 PolarHBondContact OD1-NE 3.32Å; D214-R216 IonicContact OD1-NH2 3.7Å; D214-R216 IonicContact OD2-CZ 3.99Å; D214-R216 IonicContact OD2-NE 3.3Å; D214-R216 PolarHBondContact OD2-NE 3.11Å; D214-R216 VanDerWaalsContact OD2-NE 3.15Å; D214-R216 IonicContact OD2-NH2 2.85Å; D214-R216 PolarHBondContact OD2-NH2 3.3Å; D214-N217 CarbonylContact O-C 3.55Å; D214-N217 PolarHBondContact O-N 3.33Å; D214-T218 PolarHBondContact O-N 2.62Å
215L93.1Very high93Very high9 Ų961.7 Ų61.75%0.04730%0.304CS..THydrogen-bonded Turntrans-67.3-15.3-178.3-58.6-174.2000113.7L129 I145 Y181 L183 W194 K200 N217L129-L215 HydrophobicContact CD1-CD1 4.42Å; I145-L215 HydrophobicContact CD1-CD1 4.1Å; I145-L215 HydrophobicContact CD1-CD2 3.46Å; I145-L215 VanDerWaalsContact CD1-CD2 3.46Å; I145-L215 HydrophobicContact CD1-CG 4.41Å; Y181-L215 HydrophobicContact CD2-CD1 4.34Å; Y181-L215 HydrophobicContact CD2-CD2 4.26Å; Y181-L215 HydrophobicContact CE1-CB 4.47Å; Y181-L215 HydrophobicContact CE2-CB 4.49Å; Y181-L215 HydrophobicContact CE2-CD1 4.1Å; Y181-L215 HydrophobicContact CG-CD2 4.24Å; L183-L215 HydrophobicContact CD1-CD2 3.94Å; W194-L215 HydrophobicContact CH2-CD1 3.67Å; W194-L215 HydrophobicContact CZ3-CD1 3.7Å; K200-L215 HydrophobicContact CB-CB 4.31Å; K200-L215 HydrophobicContact CD-CB 4.48Å; K200-L215 WeakPolarHBondContact O-CG 3.47Å; K200-L215 PolarHBondContact O-N 3Å; L215-N217 VanDerWaalsContact C-N 3.32Å
216R92.3Very high92.8Very high156 Ų15663 Ų6359%0.58931%0.312SS*.THydrogen-bonded Turntrans-76-24.7172.9-58.1168-70.6-145.5-2.8111.6D198 K200 D214D198-R216 IonicContact OD1-NH1 3.13Å; D198-R216 IonicContact OD2-CZ 3.19Å; D198-R216 IonicContact OD2-NH1 2.86Å; D198-R216 PolarHBondContact OD2-NH1 3.04Å; D198-R216 IonicContact OD2-NH2 3.72Å; D198-R216 PolarHBondContact OD2-NH2 3.4Å; K200-R216 HydrophobicContact CB-CG 4.24Å; K200-R216 HydrophobicContact CG-CG 4.32Å; D214-R216 PolarHBondContact O-N 2.96Å; D214-R216 VanDerWaalsContact O-N 3.17Å; D214-R216 VanDerWaalsContact OD1-CB 3.23Å; D214-R216 WeakPolarHBondContact OD1-CB 3.49Å; D214-R216 WeakPolarHBondContact OD1-CG 3.47Å; D214-R216 IonicContact OD1-CZ 3.61Å; D214-R216 PolarHBondContact OD1-N 3.06Å; D214-R216 IonicContact OD1-NE 2.68Å; D214-R216 PolarHBondContact OD1-NE 3.32Å; D214-R216 IonicContact OD1-NH2 3.7Å; D214-R216 IonicContact OD2-CZ 3.99Å; D214-R216 IonicContact OD2-NE 3.3Å; D214-R216 PolarHBondContact OD2-NE 3.11Å; D214-R216 VanDerWaalsContact OD2-NE 3.15Å; D214-R216 IonicContact OD2-NH2 2.85Å; D214-R216 PolarHBondContact OD2-NH2 3.3Å
217N91.4Very high92.7Very high71 Ų7170.2 Ų70.238%0.3834%0.343SS..  trans-143.681.5178.7-175.85.5000111D214 L215 S219 Q220D214-N217 CarbonylContact O-C 3.55Å; D214-N217 PolarHBondContact O-N 3.33Å; L215-N217 VanDerWaalsContact C-N 3.32Å; N217-S219 PolarHBondContact O-N 3.22Å; N217-Q220 PolarHBondContact O-N 3.09Å
218T88Confident92.7Very high65 Ų6566.4 Ų66.440%0.39933%0.327SS..THydrogen-bonded Turntrans-69.7-12.3-175.454.70000114.5Y181 L183 D214Y181-T218 HydrophobicContact CD1-CG2 3.8Å; Y181-T218 HydrophobicContact CE1-CG2 4.22Å; L183-T218 HydrophobicContact CD2-CG2 3.86Å; D214-T218 PolarHBondContact O-N 2.62Å
219S85.4Confident92.9Very high112 Ų11258.7 Ų58.778%0.78330%0.298SS*.THydrogen-bonded Turntrans-77.7-20.3178.7-59.60000113.3N217N217-S219 PolarHBondContact O-N 3.22Å
220Q86.8Confident92.9Very high140 Ų14061.7 Ų61.765%0.65431%0.312SS*.  trans-116.8146.1-179.1-67.2-173.6-200111.2N217N217-Q220 PolarHBondContact O-N 3.09Å
221K89.7Confident92.7Very high80 Ų8062.1 Ų62.135%0.34832%0.316SS..EExtended strand (participates in β ladder)trans-137.9142.1174.169.8179.7-175.2173.90110.6A211 F213 F223A211-K221 HydrophobicContact CB-CD 4.17Å; F213-K221 HydrophobicContact CD1-CB 3.91Å; F213-K221 HydrophobicContact CE1-CB 3.86Å; F213-K221 HydrophobicContact CE1-CD 3.81Å; F213-K221 HydrophobicContact CE1-CG 4.45Å; F213-K221 HydrophobicContact CZ-CD 4.09Å; K221-F223 HydrophobicContact CG-CD1 4.35Å
222T93.3Very high92.7Very high87 Ų8763 Ų6353%0.53432%0.322SS..EExtended strand (participates in β ladder)trans-92.3130.2167-52.90000107.6A211 I212 F258A211-T222 CarbonylContact C-O 3.14Å; A211-T222 WeakPolarHBondContact CA-O 3.2Å; I212-T222 PolarHBondContact N-O 2.9Å; I212-T222 PolarHBondContact O-N 2.99Å; I212-T222 VanDerWaalsContact O-N 3.14Å; T222-F258 HydrophobicContact CG2-CD1 3.98Å
223F94.5Very high92.7Very high104 Ų10464 Ų6446%0.45633%0.329SS..EExtended strand (participates in β ladder)trans-144.5156-178.174.7-83.3000113N209 L210 A211 K221N209-F223 HydrophobicContact CB-CD2 4.01Å; L210-F223 CarbonylContact O-C 3.58Å; L210-F223 WeakPolarHBondContact O-CA 3.26Å; L210-F223 WeakPolarHBondContact O-CB 3.42Å; A211-F223 HydrophobicContact CB-CB 4.1Å; K221-F223 HydrophobicContact CG-CD1 4.35Å
224V96.4Very high92.6Very high15 Ų1564.3 Ų64.39%0.09133%0.331CS..EExtended strand (participates in β ladder)trans-128.4138.1171.566.30000109.8N209 L210 T226 W253 F258 E259N209-V224 CarbonylContact C-O 3.58Å; N209-V224 WeakPolarHBondContact CA-O 3.45Å; N209-V224 VanDerWaalsContact CB-O 3.23Å; N209-V224 WeakPolarHBondContact CB-O 3.23Å; L210-V224 HydrophobicContact CB-CG1 3.96Å; L210-V224 PolarHBondContact N-O 3.49Å; L210-V224 PolarHBondContact O-N 3.26Å; V224-T226 PolarHBondContact O-N 2.93Å; V224-W253 HydrophobicContact CB-CZ3 4.32Å; V224-W253 HydrophobicContact CG1-CE3 4.24Å; V224-W253 HydrophobicContact CG1-CH2 3.8Å; V224-W253 HydrophobicContact CG1-CZ2 4.45Å; V224-W253 HydrophobicContact CG1-CZ3 3.67Å; V224-W253 HydrophobicContact CG2-CH2 4.06Å; V224-W253 HydrophobicContact CG2-CZ3 3.8Å; V224-F258 HydrophobicContact CB-CE1 4.42Å; V224-F258 HydrophobicContact CB-CZ 4.35Å; V224-F258 HydrophobicContact CG1-CD2 4.24Å; V224-F258 HydrophobicContact CG1-CE1 4.04Å; V224-F258 HydrophobicContact CG1-CE2 3.61Å; V224-F258 HydrophobicContact CG1-CZ 3.51Å; V224-E259 WeakPolarHBondContact CG2-O 3.28Å
225N95.4Very high92.5Very high120 Ų12062.3 Ų62.364%0.64232%0.32SS*.EExtended strand (participates in β ladder)trans-76.1122.5177.5-71.4-37.5000110.2R208R208-N225 WeakPolarHBondContact O-CA 3.2Å
226T93.9Very high92.4Very high28 Ų2864.8 Ų64.817%0.17234%0.337CS..  trans-158.4154.3177.3-177.70000110.6R208 L210 V224 A228 I229 W253R208-T226 CarbonylContact C-O 3.57Å; R208-T226 WeakPolarHBondContact CA-O 3.4Å; R208-T226 PolarHBondContact O-N 3.47Å; R208-T226 VanDerWaalsContact O-O 3.1Å; L210-T226 HydrophobicContact CB-CG2 4.19Å; L210-T226 HydrophobicContact CD1-CG2 3.67Å; L210-T226 HydrophobicContact CG-CG2 3.54Å; V224-T226 PolarHBondContact O-N 2.93Å; T226-A228 WeakPolarHBondContact OG1-CB 3.08Å; T226-A228 PolarHBondContact OG1-N 3.33Å; T226-A228 VanDerWaalsContact OG1-N 3.08Å; T226-I229 HydrophobicContact CG2-CG2 4.17Å; T226-W253 HydrophobicContact CG2-CH2 4.28Å; T226-W253 HydrophobicContact CG2-CZ2 3.91Å
227K92.9Very high92.2Very high151 Ų15160.4 Ų60.466%0.65732%0.323SS*.SBendtrans-86.2-17.5169.9-64.1-178.5-178176.60112.1I229 F246K227-I229 WeakPolarHBondContact O-CG1 3.12Å; K227-I229 PolarHBondContact O-N 3.02Å; K227-F246 HydrophobicContact CB-CD1 4.01Å; K227-F246 HydrophobicContact CB-CD2 4.44Å; K227-F246 HydrophobicContact CB-CE1 4.32Å; K227-F246 HydrophobicContact CB-CG 4.1Å; K227-F246 HydrophobicContact CD-CE1 4.44Å; K227-F246 WeakPolarHBondContact O-CB 3.45Å; K227-F246 WeakPolarHBondContact O-CD2 3.38Å; K227-F246 WeakPolarHBondContact O-CG 3.47Å
228A93.1Very high92.1Very high7 Ų760.6 Ų60.66%0.05832%0.321CS..  trans-71.669.8179.900000112.1T226 S244 F245 F246 A251T226-A228 WeakPolarHBondContact OG1-CB 3.08Å; T226-A228 PolarHBondContact OG1-N 3.33Å; T226-A228 VanDerWaalsContact OG1-N 3.08Å; A228-S244 WeakPolarHBondContact CB-OG 3.5Å; A228-S244 WeakPolarHBondContact O-CB 3.45Å; A228-S244 PolarHBondContact O-OG 3.27Å; A228-F245 CarbonylContact C-O 3.58Å; A228-F245 WeakPolarHBondContact CA-O 3.43Å; A228-F246 HydrophobicContact CB-CB 4.37Å; A228-A251 HydrophobicContact CB-CB 4.12Å
229I94.1Very high92.2Very high11 Ų1159.8 Ų59.86%0.05632%0.317CS..  trans-126.41.4-172.862.6163.6000113.4L190 S191 M206 L210 T226 K227 G231 F245L190-I229 WeakPolarHBondContact CB-O 3.23Å; L190-I229 HydrophobicContact CD1-CD1 3.72Å; L190-I229 HydrophobicContact CD1-CG1 4.02Å; L190-I229 HydrophobicContact CG-CD1 4.5Å; S191-I229 PolarHBondContact OG-O 2.77Å; M206-I229 WeakPolarHBondContact O-CD1 3.28Å; L210-I229 HydrophobicContact CD2-CG2 4.32Å; L210-I229 HydrophobicContact CG-CG2 4.36Å; T226-I229 HydrophobicContact CG2-CG2 4.17Å; K227-I229 WeakPolarHBondContact O-CG1 3.12Å; K227-I229 PolarHBondContact O-N 3.02Å; I229-G231 VanDerWaalsContact C-N 3.35Å; I229-F245 PolarHBondContact N-O 3.18Å
230Q92.8Very high92.4Very high77 Ų7756.6 Ų56.636%0.3629%0.291SS..SBendtrans-72.9-30-175.7-73.2175.7-11.600112.4F245 F246 E247Q230-F245 HydrophobicContact CB-CD2 4.21Å; Q230-F245 HydrophobicContact CB-CE2 4Å; Q230-F245 WeakPolarHBondContact CB-O 3.3Å; Q230-F245 PolarHBondContact N-O 3.17Å; Q230-F246 HydrophobicContact CG-CD2 3.98Å; Q230-E247 VanDerWaalsContact OE1-N 3.1Å
231G93.3Very high92.7Very high10 Ų1051.9 Ų51.910%0.10327%0.267CS..EExtended strand (participates in β ladder)trans-156.3149.7173.800000110.2I229 S244 F245I229-G231 VanDerWaalsContact C-N 3.35Å; G231-S244 CarbonylContact O-C 3.57Å; G231-S244 WeakPolarHBondContact O-CA 3.27Å; G231-F245 PolarHBondContact O-N 3.24Å
232V95.7Very high92.9Very high18 Ų1848.1 Ų48.111%0.10925%0.251CS..EExtended strand (participates in β ladder)trans-138.2132.9-177.11730000108.4S191 C193 L203 L210 V242 A243S191-V232 WeakPolarHBondContact OG-CG2 3.44Å; C193-V232 HydrophobicContact CB-CG1 4.2Å; L203-V232 HydrophobicContact CD2-CG1 3.49Å; L203-V232 VanDerWaalsContact CD2-CG1 3.49Å; L203-V232 HydrophobicContact CG-CG1 4.02Å; L210-V232 HydrophobicContact CD2-CG2 3.52Å; V232-V242 HydrophobicContact CG1-CG1 3.58Å; V232-A243 CarbonylContact C-O 3.51Å; V232-A243 WeakPolarHBondContact CA-O 3.47Å
233T94.4Very high93Very high34 Ų3444 Ų4421%0.20923%0.225CC..EExtended strand (participates in β ladder)trans-144.3132179.8-176.90000111.2A243 V275 W277T233-A243 HydrophobicContact CG2-CB 3.9Å; T233-A243 PolarHBondContact N-O 2.97Å; T233-A243 PolarHBondContact O-N 2.93Å; T233-V275 HydrophobicContact CG2-CG1 4.21Å; T233-W277 PolarHBondContact O-NE1 3.17Å; T233-W277 VanDerWaalsContact O-NE1 3.14Å
234V93.4Very high93.1Very high13 Ų1339 Ų398%0.07920%0.204CC..EExtended strand (participates in β ladder)trans-87.7139.4-179.4178.50000109.3C193 L195 L196 P236 V242C193-V234 HydrophobicContact CB-CG2 4.4Å; C193-V234 WeakPolarHBondContact SG-CG2 3.25Å; L195-V234 HydrophobicContact CD2-CG2 4.1Å; L196-V234 HydrophobicContact CD1-CG1 4.33Å; L196-V234 HydrophobicContact CG-CG1 4.43Å; V234-P236 WeakPolarHBondContact O-CD 3.33Å; V234-V242 HydrophobicContact CG2-CG2 4Å
235D92.4Very high93Very high1 Ų139.2 Ų39.21%0.00520%0.203CC..  trans-65.6121.4173.6-174.9-28.9000109.4H237 F238 R241 W277D235-H237 PolarHBondContact O-N 3.43Å; D235-H237 VanDerWaalsContact O-N 3.13Å; D235-H237 PolarHBondContact OD1-N 2.95Å; D235-H237 IonicContact OD1-ND1 3.67Å; D235-F238 HydrophobicContact CB-CB 4.27Å; D235-F238 CarbonylContact O-C 3.41Å; D235-F238 PolarHBondContact O-N 3.19Å; D235-F238 PolarHBondContact OD1-N 3.02Å; D235-R241 HydrophobicContact CB-CB 3.93Å; D235-R241 HydrophobicContact CB-CG 4.22Å; D235-R241 PolarHBondContact N-O 2.95Å; D235-R241 WeakPolarHBondContact OD2-CD 3.49Å; D235-R241 IonicContact OD2-CZ 3Å; D235-R241 IonicContact OD2-NH1 3.34Å; D235-R241 PolarHBondContact OD2-NH1 3.46Å; D235-R241 VanDerWaalsContact OD2-NH1 3.13Å; D235-W277 HydrophobicContact CB-CD2 4.05Å; D235-W277 HydrophobicContact CB-CG 4.35Å; D235-W277 HydrophobicContact CB-CZ2 4.41Å
236P90.3Very high92.8Very high61 Ų6135.9 Ų35.940%0.39618%0.183SC..SBendtrans-59.2-24.6-179.1-25.935000114.3V234 W277V234-P236 WeakPolarHBondContact O-CD 3.33Å; P236-W277 HydrophobicContact CG-CB 4.1Å
237H89.6Confident92.6Very high63 Ų6339.7 Ų39.729%0.29220%0.199SC..SBendtrans-100.1-21.9-177-56.686000112.9D235 P279 T282D235-H237 PolarHBondContact O-N 3.43Å; D235-H237 VanDerWaalsContact O-N 3.13Å; D235-H237 PolarHBondContact OD1-N 2.95Å; D235-H237 IonicContact OD1-ND1 3.67Å; H237-P279 PolarHBondContact CE1-O 3.25Å; H237-P279 PolarHBondContact NE2-O 2.91Å; H237-T282 HydrophobicContact CB-CG2 3.85Å
238F89.8Confident92.4Very high76 Ų7633 Ų3333%0.33317%0.173SC..  trans-130.591-178-63.8-78.3000110.2D235 D240 R241 T282 H302D235-F238 HydrophobicContact CB-CB 4.27Å; D235-F238 CarbonylContact O-C 3.41Å; D235-F238 PolarHBondContact O-N 3.19Å; D235-F238 PolarHBondContact OD1-N 3.02Å; F238-D240 PolarHBondContact O-N 3.25Å; F238-R241 HydrophobicContact CB-CB 3.99Å; F238-R241 WeakPolarHBondContact O-CB 3.1Å; F238-R241 PolarHBondContact O-N 3.43Å; F238-T282 HydrophobicContact CE2-CG2 4.3Å; F238-H302 AromaticContact CD2-NE2 3.98Å; F238-H302 AromaticContact CE2-NE2 3.21Å; F238-H302 WeakPolarHBondContact CE2-NE2 3.42Å; F238-H302 AromaticContact CZ-CD2 3.97Å; F238-H302 AromaticContact CZ-CE1 3.75Å; F238-H302 AromaticContact CZ-NE2 3.23Å; F238-H302 WeakPolarHBondContact CZ-NE2 3.45Å
239P89Confident92.4Very high48 Ų4837.2 Ų37.231%0.31219%0.191SC..THydrogen-bonded Turntrans-58.4-23.8-172.5-29.236.7000116.2L196 R197L196-P239 HydrophobicContact CB-CB 4.22Å; L196-P239 HydrophobicContact CB-CG 4.45Å; R197-P239 HydrophobicContact CB-CB 4.17Å
240D90.1Very high92.4Very high45 Ų4536.7 Ų36.724%0.24119%0.188CC..THydrogen-bonded Turntrans-87-4.8176.6-67.3-49.7000113.1R197 F238 D254 L255 R256R197-D240 WeakPolarHBondContact CD-OD1 3.45Å; R197-D240 IonicContact CZ-OD1 3.15Å; R197-D240 IonicContact NE-OD1 2.8Å; R197-D240 IonicContact NH1-OD1 2.88Å; R197-D240 PolarHBondContact NH1-OD1 3.23Å; F238-D240 PolarHBondContact O-N 3.25Å; D240-D254 CarbonylContact O-C 3.07Å; D240-D254 WeakPolarHBondContact O-CA 3.38Å; D240-L255 HydrophobicContact CB-CB 4.41Å; D240-L255 WeakPolarHBondContact O-CG 3.44Å; D240-L255 PolarHBondContact O-N 2.9Å; D240-R256 HydrophobicContact CB-CG 4.1Å
241R91.8Very high92.5Very high41 Ų4133.3 Ų33.316%0.15517%0.173CC..EExtended strand (participates in β ladder)trans-98.2126.4176.7-176.3-176.1-67.4159.3-11.5110.3D235 F238 I252 W253 W277 H302D235-R241 HydrophobicContact CB-CB 3.93Å; D235-R241 HydrophobicContact CB-CG 4.22Å; D235-R241 PolarHBondContact N-O 2.95Å; D235-R241 WeakPolarHBondContact OD2-CD 3.49Å; D235-R241 IonicContact OD2-CZ 3Å; D235-R241 IonicContact OD2-NH1 3.34Å; D235-R241 PolarHBondContact OD2-NH1 3.46Å; D235-R241 VanDerWaalsContact OD2-NH1 3.13Å; F238-R241 HydrophobicContact CB-CB 3.99Å; F238-R241 WeakPolarHBondContact O-CB 3.1Å; F238-R241 PolarHBondContact O-N 3.43Å; R241-I252 HydrophobicContact CG-CG2 3.91Å; R241-W253 WeakPolarHBondContact CA-O 3.38Å; R241-W277 HydrophobicContact CG-CZ2 4.31Å; R241-H302 PolarHBondContact NH1-NE2 3.21Å; R241-H302 PolarHBondContact NH2-CE1 3.22Å; R241-H302 PolarHBondContact NH2-NE2 2.93Å
242V94.4Very high92.5Very high1 Ų133 Ų331%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-131.2136.3-179.2-179.20000110.5L203 V232 V234 I252 W253 L255L203-V242 HydrophobicContact CD2-CB 4.39Å; L203-V242 HydrophobicContact CD2-CG1 3.7Å; L203-V242 HydrophobicContact CD2-CG2 4.13Å; V232-V242 HydrophobicContact CG1-CG1 3.58Å; V234-V242 HydrophobicContact CG2-CG2 4Å; V242-I252 CarbonylContact O-C 3.54Å; V242-I252 WeakPolarHBondContact O-CA 3.42Å; V242-W253 HydrophobicContact CB-CB 4.48Å; V242-W253 PolarHBondContact N-O 3.46Å; V242-W253 PolarHBondContact O-N 3.22Å; V242-L255 HydrophobicContact CB-CD2 4.5Å; V242-L255 HydrophobicContact CG2-CD1 3.73Å; V242-L255 HydrophobicContact CG2-CD2 3.93Å; V242-L255 HydrophobicContact CG2-CG 3.84Å
243A95.6Very high92.4Very high0 Ų032.4 Ų32.40%017%0.165CC..EExtended strand (participates in β ladder)trans-98.9136.8165.900000109.8V232 T233 V250 A251 I252 V275 W277 L285V232-A243 CarbonylContact C-O 3.51Å; V232-A243 WeakPolarHBondContact CA-O 3.47Å; T233-A243 HydrophobicContact CG2-CB 3.9Å; T233-A243 PolarHBondContact N-O 2.97Å; T233-A243 PolarHBondContact O-N 2.93Å; A243-V250 HydrophobicContact CB-CG1 4.09Å; A243-A251 WeakPolarHBondContact CA-O 3.31Å; A243-I252 HydrophobicContact CB-CD1 3.64Å; A243-V275 HydrophobicContact CB-CG1 4.34Å; A243-W277 HydrophobicContact CB-CZ2 3.7Å; A243-L285 HydrophobicContact CB-CD1 4.29Å; A243-L285 HydrophobicContact CB-CD2 4.34Å
244S96.4Very high92.3Very high0 Ų032.4 Ų32.40%016%0.164CC..EExtended strand (participates in β ladder)trans-133.3148.9170.571.50000109.7A228 G231 V250 A251 W253A228-S244 WeakPolarHBondContact CB-OG 3.5Å; A228-S244 WeakPolarHBondContact O-CB 3.45Å; A228-S244 PolarHBondContact O-OG 3.27Å; G231-S244 CarbonylContact O-C 3.57Å; G231-S244 WeakPolarHBondContact O-CA 3.27Å; S244-V250 CarbonylContact O-C 3.58Å; S244-V250 WeakPolarHBondContact O-CA 3.4Å; S244-A251 PolarHBondContact N-O 3.5Å; S244-A251 PolarHBondContact O-N 3.27Å; S244-A251 PolarHBondContact OG-O 2.9Å; S244-W253 PolarHBondContact OG-NE1 3.04Å
245F94.8Very high92.2Very high19 Ų1932.3 Ų32.38%0.08316%0.163CC..EExtended strand (participates in β ladder)trans-137.2158.5-17767.8-91000114.5A228 I229 Q230 G231 Q249 V250 L272 V275A228-F245 CarbonylContact C-O 3.58Å; A228-F245 WeakPolarHBondContact CA-O 3.43Å; I229-F245 PolarHBondContact N-O 3.18Å; Q230-F245 HydrophobicContact CB-CD2 4.21Å; Q230-F245 HydrophobicContact CB-CE2 4Å; Q230-F245 WeakPolarHBondContact CB-O 3.3Å; Q230-F245 PolarHBondContact N-O 3.17Å; G231-F245 PolarHBondContact O-N 3.24Å; F245-Q249 CarbonylContact C-O 3.56Å; F245-Q249 WeakPolarHBondContact CA-O 3.31Å; F245-Q249 VanDerWaalsContact CB-O 3.27Å; F245-Q249 WeakPolarHBondContact CB-O 3.15Å; F245-V250 HydrophobicContact CB-CB 4.48Å; F245-V250 HydrophobicContact CB-CG2 4.04Å; F245-L272 HydrophobicContact CB-CD1 3.78Å; F245-L272 HydrophobicContact CD2-CB 3.71Å; F245-L272 HydrophobicContact CD2-CD1 4.19Å; F245-L272 HydrophobicContact CE2-CB 4.06Å; F245-L272 HydrophobicContact CG-CB 4.45Å; F245-L272 HydrophobicContact CG-CD1 4.21Å; F245-V275 HydrophobicContact CB-CG2 4.07Å; F245-V275 HydrophobicContact CD1-CB 3.66Å; F245-V275 HydrophobicContact CD1-CG1 4.49Å; F245-V275 HydrophobicContact CD1-CG2 3.36Å; F245-V275 HydrophobicContact CD2-CG2 4.37Å; F245-V275 HydrophobicContact CE1-CB 3.83Å; F245-V275 HydrophobicContact CE1-CG2 3.77Å; F245-V275 HydrophobicContact CG-CB 4.47Å; F245-V275 HydrophobicContact CG-CG2 3.69Å; F245-V275 HydrophobicContact CZ-CG2 4.45Å
246F91.6Very high92.1Very high49 Ų4941 Ų4122%0.21520%0.196CC..EExtended strand (participates in β ladder)trans-154131171.5169.1-91.8000110.1K227 A228 Q230 G248 Q249K227-F246 HydrophobicContact CB-CD1 4.01Å; K227-F246 HydrophobicContact CB-CD2 4.44Å; K227-F246 HydrophobicContact CB-CE1 4.32Å; K227-F246 HydrophobicContact CB-CG 4.1Å; K227-F246 HydrophobicContact CD-CE1 4.44Å; K227-F246 WeakPolarHBondContact O-CB 3.45Å; K227-F246 WeakPolarHBondContact O-CD2 3.38Å; K227-F246 WeakPolarHBondContact O-CG 3.47Å; A228-F246 HydrophobicContact CB-CB 4.37Å; Q230-F246 HydrophobicContact CG-CD2 3.98Å; F246-G248 PolarHBondContact O-N 2.95Å; F246-Q249 PolarHBondContact N-O 2.64Å; F246-Q249 PolarHBondContact O-N 2.72Å
247E88.5Confident91.9Very high109 Ų10943.6 Ų43.651%0.50920%0.201SC..THydrogen-bonded Turntrans48.5-128.4-174.5-66.9-176.5168.500110.1Q230 Q249 L272Q230-E247 VanDerWaalsContact OE1-N 3.1Å; E247-Q249 VanDerWaalsContact C-N 3.31Å; E247-Q249 PolarHBondContact O-N 2.88Å; E247-L272 WeakPolarHBondContact O-CB 3.03Å; E247-L272 WeakPolarHBondContact O-CD1 3.34Å; E247-L272 WeakPolarHBondContact O-CG 3.47Å; E247-L272 PolarHBondContact O-N 2.96Å
248G88.8Confident92Very high10 Ų1041.5 Ų41.510%0.10319%0.191CC..THydrogen-bonded Turntrans-86.416.4178.100000114.4F246 E267F246-G248 PolarHBondContact O-N 2.95Å; G248-E267 VanDerWaalsContact O-CA 3.31Å; G248-E267 WeakPolarHBondContact O-CA 3.25Å; G248-E267 WeakPolarHBondContact O-CB 3.33Å; G248-E267 PolarHBondContact O-N 2.78Å
249Q92.7Very high92.1Very high95 Ų9545.9 Ų45.944%0.44421%0.213SC..EExtended strand (participates in β ladder)trans-118134.4-175.5-67.8-174.5-23.300112.1F245 F246 E247 L265 T266F245-Q249 CarbonylContact C-O 3.56Å; F245-Q249 WeakPolarHBondContact CA-O 3.31Å; F245-Q249 VanDerWaalsContact CB-O 3.27Å; F245-Q249 WeakPolarHBondContact CB-O 3.15Å; F246-Q249 PolarHBondContact N-O 2.64Å; F246-Q249 PolarHBondContact O-N 2.72Å; E247-Q249 VanDerWaalsContact C-N 3.31Å; E247-Q249 PolarHBondContact O-N 2.88Å; Q249-L265 WeakPolarHBondContact CA-O 3.45Å; Q249-T266 HydrophobicContact CG-CG2 4.34Å
250V95.2Very high92.1Very high0 Ų049.4 Ų49.40%022%0.223CC..EExtended strand (participates in β ladder)trans-114.5121169.9-171.50000109.3A243 S244 F245 I252 T264 L265 L272 V275 L285 T287A243-V250 HydrophobicContact CB-CG1 4.09Å; S244-V250 CarbonylContact O-C 3.58Å; S244-V250 WeakPolarHBondContact O-CA 3.4Å; F245-V250 HydrophobicContact CB-CB 4.48Å; F245-V250 HydrophobicContact CB-CG2 4.04Å; V250-I252 HydrophobicContact CG1-CD1 3.96Å; V250-T264 CarbonylContact O-C 3.54Å; V250-T264 WeakPolarHBondContact O-CA 3.25Å; V250-L265 HydrophobicContact CB-CB 4.17Å; V250-L265 HydrophobicContact CB-CD1 4.37Å; V250-L265 PolarHBondContact N-O 3.39Å; V250-L265 PolarHBondContact O-N 3.31Å; V250-L272 HydrophobicContact CG2-CD1 3.4Å; V250-V275 HydrophobicContact CG1-CG1 4.4Å; V250-V275 HydrophobicContact CG2-CG2 4.1Å; V250-L285 HydrophobicContact CG1-CD2 4.09Å; V250-T287 HydrophobicContact CG2-CG2 4.04Å
251A94.6Very high92.2Very high6 Ų649.3 Ų49.35%0.0523%0.225CC..EExtended strand (participates in β ladder)trans-99.2129.3172.100000110A228 A243 S244 W253 P261A228-A251 HydrophobicContact CB-CB 4.12Å; A243-A251 WeakPolarHBondContact CA-O 3.31Å; S244-A251 PolarHBondContact N-O 3.5Å; S244-A251 PolarHBondContact O-N 3.27Å; S244-A251 PolarHBondContact OG-O 2.9Å; A251-W253 HydrophobicContact CB-CZ2 3.94Å; A251-W253 PolarHBondContact O-NE1 3.41Å; A251-P261 HydrophobicContact CB-CB 4.07Å
252I94.1Very high92.1Very high4 Ų450.8 Ų50.82%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-101.8129.4174.8-50.8-57.1000108.6R241 V242 A243 V250 P261 V262 L263 W277 L285R241-I252 HydrophobicContact CG-CG2 3.91Å; V242-I252 CarbonylContact O-C 3.54Å; V242-I252 WeakPolarHBondContact O-CA 3.42Å; A243-I252 HydrophobicContact CB-CD1 3.64Å; V250-I252 HydrophobicContact CG1-CD1 3.96Å; I252-P261 CarbonylContact O-C 3.58Å; I252-P261 WeakPolarHBondContact O-CA 3.49Å; I252-P261 WeakPolarHBondContact O-CB 3.45Å; I252-V262 PolarHBondContact O-N 3.13Å; I252-L263 HydrophobicContact CB-CB 4.19Å; I252-L263 HydrophobicContact CG1-CB 4.39Å; I252-L263 HydrophobicContact CG1-CD2 4.01Å; I252-L263 HydrophobicContact CG1-CG 4.45Å; I252-L263 PolarHBondContact N-O 3.11Å; I252-L263 PolarHBondContact O-N 3.18Å; I252-W277 HydrophobicContact CD1-CH2 4.12Å; I252-W277 HydrophobicContact CD1-CZ2 4.09Å; I252-L285 HydrophobicContact CD1-CD2 3.95Å
253W93.8Very high91.9Very high5 Ų551.7 Ų51.72%0.01924%0.243CC..EExtended strand (participates in β ladder)trans-117.5145.5-175.1-54.288.2000110.6L210 V224 T226 R241 V242 S244 A251 F258 K260 P261L210-W253 HydrophobicContact CD1-CD2 4.35Å; L210-W253 HydrophobicContact CD1-CZ2 3.86Å; V224-W253 HydrophobicContact CB-CZ3 4.32Å; V224-W253 HydrophobicContact CG1-CE3 4.24Å; V224-W253 HydrophobicContact CG1-CH2 3.8Å; V224-W253 HydrophobicContact CG1-CZ2 4.45Å; V224-W253 HydrophobicContact CG1-CZ3 3.67Å; V224-W253 HydrophobicContact CG2-CH2 4.06Å; V224-W253 HydrophobicContact CG2-CZ3 3.8Å; T226-W253 HydrophobicContact CG2-CH2 4.28Å; T226-W253 HydrophobicContact CG2-CZ2 3.91Å; R241-W253 WeakPolarHBondContact CA-O 3.38Å; V242-W253 HydrophobicContact CB-CB 4.48Å; V242-W253 PolarHBondContact N-O 3.46Å; V242-W253 PolarHBondContact O-N 3.22Å; S244-W253 PolarHBondContact OG-NE1 3.04Å; A251-W253 HydrophobicContact CB-CZ2 3.94Å; A251-W253 PolarHBondContact O-NE1 3.41Å; W253-F258 HydrophobicContact CD2-CE2 4.38Å; W253-F258 HydrophobicContact CE3-CD2 4.24Å; W253-F258 HydrophobicContact CE3-CE2 4.23Å; W253-K260 VanDerWaalsContact CZ3-C 3.49Å; W253-P261 HydrophobicContact CD2-CB 4.19Å; W253-P261 HydrophobicContact CE3-CB 4.1Å; W253-P261 HydrophobicContact CH2-CB 4.14Å; W253-P261 HydrophobicContact CH2-CG 4.23Å; W253-P261 HydrophobicContact CZ2-CB 4.21Å; W253-P261 HydrophobicContact CZ3-CB 4.08Å; W253-P261 HydrophobicContact CZ3-CG 4.36Å; W253-P261 VanDerWaalsContact CZ3-N 3.27Å
254D91.5Very high91.7Very high35 Ų3554.8 Ų54.819%0.18726%0.262CS..EExtended strand (participates in β ladder)trans-106.6114.7161.6-174.7-26000107.7D240 R256 K257 F258 V262D240-D254 CarbonylContact O-C 3.07Å; D240-D254 WeakPolarHBondContact O-CA 3.38Å; D254-R256 PolarHBondContact O-N 2.94Å; D254-R256 VanDerWaalsContact O-N 3.13Å; D254-R256 VanDerWaalsContact OD1-CB 3.23Å; D254-R256 WeakPolarHBondContact OD1-CB 3.35Å; D254-R256 WeakPolarHBondContact OD1-CG 3.31Å; D254-R256 IonicContact OD1-CZ 3.22Å; D254-R256 PolarHBondContact OD1-N 3.41Å; D254-R256 IonicContact OD1-NE 2.99Å; D254-R256 PolarHBondContact OD1-NE 2.9Å; D254-R256 IonicContact OD1-NH2 3.74Å; D254-R256 IonicContact OD2-CZ 3.5Å; D254-R256 IonicContact OD2-NE 3.74Å; D254-R256 PolarHBondContact OD2-NE 3.31Å; D254-R256 IonicContact OD2-NH2 2.83Å; D254-R256 PolarHBondContact OD2-NH2 3.49Å; D254-K257 CarbonylContact O-C 3.55Å; D254-K257 PolarHBondContact O-N 2.89Å; D254-F258 PolarHBondContact O-N 3.32Å; D254-V262 HydrophobicContact CB-CG2 3.58Å
255L91.8Very high91.4Very high10 Ų1055.4 Ų55.45%0.05227%0.265CS..THydrogen-bonded Turntrans-67.8-10.6-176.2-60.2-175.4000113.4L195 I212 D240 V242 F258L195-L255 HydrophobicContact CD1-CD1 3.68Å; L195-L255 HydrophobicContact CD2-CD1 3.53Å; L195-L255 HydrophobicContact CG-CD1 4.23Å; I212-L255 HydrophobicContact CD1-CD2 4.17Å; D240-L255 HydrophobicContact CB-CB 4.41Å; D240-L255 WeakPolarHBondContact O-CG 3.44Å; D240-L255 PolarHBondContact O-N 2.9Å; V242-L255 HydrophobicContact CB-CD2 4.5Å; V242-L255 HydrophobicContact CG2-CD1 3.73Å; V242-L255 HydrophobicContact CG2-CD2 3.93Å; V242-L255 HydrophobicContact CG2-CG 3.84Å; L255-F258 HydrophobicContact CD2-CD2 3.89Å; L255-F258 HydrophobicContact CD2-CE2 4.04Å; L255-F258 HydrophobicContact CD2-CG 4.5Å
256R88.9Confident91Very high185 Ų18559.3 Ų59.370%0.69829%0.29SS*.THydrogen-bonded Turntrans-79.8-24.3171.6-55.6171.5-64175.13.9111.6D240 D254D240-R256 HydrophobicContact CB-CG 4.1Å; D254-R256 PolarHBondContact O-N 2.94Å; D254-R256 VanDerWaalsContact O-N 3.13Å; D254-R256 VanDerWaalsContact OD1-CB 3.23Å; D254-R256 WeakPolarHBondContact OD1-CB 3.35Å; D254-R256 WeakPolarHBondContact OD1-CG 3.31Å; D254-R256 IonicContact OD1-CZ 3.22Å; D254-R256 PolarHBondContact OD1-N 3.41Å; D254-R256 IonicContact OD1-NE 2.99Å; D254-R256 PolarHBondContact OD1-NE 2.9Å; D254-R256 IonicContact OD1-NH2 3.74Å; D254-R256 IonicContact OD2-CZ 3.5Å; D254-R256 IonicContact OD2-NE 3.74Å; D254-R256 PolarHBondContact OD2-NE 3.31Å; D254-R256 IonicContact OD2-NH2 2.83Å; D254-R256 PolarHBondContact OD2-NH2 3.49Å
257K87.6Confident90.1Very high115 Ų11557.8 Ų57.850%0.528%0.284SS..SBendtrans-126.458.5177.7-116-179-178.9176.80109.6D254 E259D254-K257 CarbonylContact O-C 3.55Å; D254-K257 PolarHBondContact O-N 2.89Å; K257-E259 PolarHBondContact O-N 2.89Å
258F91.8Very high89.1Confident18 Ų1858.6 Ų58.68%0.07929%0.288CS..THydrogen-bonded Turntrans-80.852-170.4-166.9-127.1000114.2L203 L210 I212 T222 V224 W253 D254 L255L203-F258 HydrophobicContact CD1-CZ 4.18Å; L210-F258 HydrophobicContact CB-CE2 4.43Å; L210-F258 HydrophobicContact CB-CZ 3.81Å; I212-F258 HydrophobicContact CD1-CD1 3.69Å; I212-F258 HydrophobicContact CD1-CE1 3.68Å; I212-F258 HydrophobicContact CD1-CG 4.24Å; I212-F258 HydrophobicContact CD1-CZ 4.21Å; I212-F258 HydrophobicContact CG1-CD1 4.35Å; I212-F258 HydrophobicContact CG1-CE1 3.84Å; I212-F258 HydrophobicContact CG1-CZ 4.26Å; T222-F258 HydrophobicContact CG2-CD1 3.98Å; V224-F258 HydrophobicContact CB-CE1 4.42Å; V224-F258 HydrophobicContact CB-CZ 4.35Å; V224-F258 HydrophobicContact CG1-CD2 4.24Å; V224-F258 HydrophobicContact CG1-CE1 4.04Å; V224-F258 HydrophobicContact CG1-CE2 3.61Å; V224-F258 HydrophobicContact CG1-CZ 3.51Å; W253-F258 HydrophobicContact CD2-CE2 4.38Å; W253-F258 HydrophobicContact CE3-CD2 4.24Å; W253-F258 HydrophobicContact CE3-CE2 4.23Å; D254-F258 PolarHBondContact O-N 3.32Å; L255-F258 HydrophobicContact CD2-CD2 3.89Å; L255-F258 HydrophobicContact CD2-CE2 4.04Å; L255-F258 HydrophobicContact CD2-CG 4.5Å
259E90.2Very high88.3Confident169 Ų16964 Ų6479%0.7932%0.321SS*.THydrogen-bonded Turntrans-117.9-38179.4-64.9-179173.900112.4V224 K257V224-E259 WeakPolarHBondContact CG2-O 3.28Å; K257-E259 PolarHBondContact O-N 2.89Å
260K91Very high88Confident121 Ų12164.1 Ų64.153%0.52632%0.32SS..SBendtrans-138.4151.5177.963.7174.8-177.8170.50109.8W253 E310W253-K260 VanDerWaalsContact CZ3-C 3.49Å; K260-E310 IonicContact NZ-OE2 3.09Å; K260-E310 PolarHBondContact NZ-OE2 3.26Å; K260-E310 VanDerWaalsContact NZ-OE2 3.13Å
261P91.5Very high87.7Confident44 Ų4465.5 Ų65.529%0.28633%0.329SS..  trans-65.1142.3172.928.6-33.4000109.7A251 I252 W253A251-P261 HydrophobicContact CB-CB 4.07Å; I252-P261 CarbonylContact O-C 3.58Å; I252-P261 WeakPolarHBondContact O-CA 3.49Å; I252-P261 WeakPolarHBondContact O-CB 3.45Å; W253-P261 HydrophobicContact CD2-CB 4.19Å; W253-P261 HydrophobicContact CE3-CB 4.1Å; W253-P261 HydrophobicContact CH2-CB 4.14Å; W253-P261 HydrophobicContact CH2-CG 4.23Å; W253-P261 HydrophobicContact CZ2-CB 4.21Å; W253-P261 HydrophobicContact CZ3-CB 4.08Å; W253-P261 HydrophobicContact CZ3-CG 4.36Å; W253-P261 VanDerWaalsContact CZ3-N 3.27Å
262V89.6Confident87.6Confident71 Ų7165.7 Ų65.743%0.4333%0.329SS..SBendtrans-66.4-34.6173.2178.80000110.2I252 D254I252-V262 PolarHBondContact O-N 3.13Å; D254-V262 HydrophobicContact CB-CG2 3.58Å
263L89.6Confident87.4Confident20 Ų2067.8 Ų67.811%0.10534%0.342CS..EExtended strand (participates in β ladder)trans-154.7142.1-175168.173.2000109.3I252 L265 M300 P313 I315I252-L263 HydrophobicContact CB-CB 4.19Å; I252-L263 HydrophobicContact CG1-CB 4.39Å; I252-L263 HydrophobicContact CG1-CD2 4.01Å; I252-L263 HydrophobicContact CG1-CG 4.45Å; I252-L263 PolarHBondContact N-O 3.11Å; I252-L263 PolarHBondContact O-N 3.18Å; L263-L265 HydrophobicContact CD1-CD2 4.43Å; L263-L265 HydrophobicContact CD2-CD2 3.92Å; L263-L265 HydrophobicContact CD2-CG 4.22Å; L263-L265 HydrophobicContact CG-CD2 4.22Å; L263-L265 HydrophobicContact CG-CG 4.44Å; L263-M300 HydrophobicContact CD2-SD 4.44Å; L263-P313 HydrophobicContact CD2-CG 4.41Å; L263-I315 HydrophobicContact CD1-CD1 3.63Å; L263-I315 HydrophobicContact CD2-CD1 3.19Å; L263-I315 HydrophobicContact CD2-CG1 4.24Å; L263-I315 HydrophobicContact CG-CD1 3.97Å
264T91.7Very high87.4Confident65 Ų6569.1 Ų69.140%0.39935%0.348SS..EExtended strand (participates in β ladder)trans-122.6114.8170.3-57.20000109.8V250V250-T264 CarbonylContact O-C 3.54Å; V250-T264 WeakPolarHBondContact O-CA 3.25Å
265L91.1Very high87.6Confident14 Ų1468 Ų687%0.07334%0.343CS..EExtended strand (participates in β ladder)trans-84.4121.5172.4-57.1173.5000108.4Q249 V250 L263 L285 Y298 I315Q249-L265 WeakPolarHBondContact CA-O 3.45Å; V250-L265 HydrophobicContact CB-CB 4.17Å; V250-L265 HydrophobicContact CB-CD1 4.37Å; V250-L265 PolarHBondContact N-O 3.39Å; V250-L265 PolarHBondContact O-N 3.31Å; L263-L265 HydrophobicContact CD1-CD2 4.43Å; L263-L265 HydrophobicContact CD2-CD2 3.92Å; L263-L265 HydrophobicContact CD2-CG 4.22Å; L263-L265 HydrophobicContact CG-CD2 4.22Å; L263-L265 HydrophobicContact CG-CG 4.44Å; L265-L285 HydrophobicContact CD1-CD2 4.17Å; L265-Y298 HydrophobicContact CD1-CD1 4.03Å; L265-Y298 HydrophobicContact CD1-CD2 3.87Å; L265-Y298 HydrophobicContact CD1-CE1 4.38Å; L265-Y298 HydrophobicContact CD1-CE2 4.23Å; L265-Y298 HydrophobicContact CD1-CG 3.75Å; L265-Y298 HydrophobicContact CD2-CD1 4.03Å; L265-Y298 HydrophobicContact CD2-CE1 4.24Å; L265-I315 HydrophobicContact CD2-CD1 3.59Å
266T86Confident87.7Confident100 Ų10068.4 Ų68.461%0.61335%0.347SS*.EExtended strand (participates in β ladder)trans-104.6117.6176.8-54.40000109.4Q249Q249-T266 HydrophobicContact CG-CG2 4.34Å
267E72.6Confident88Confident18 Ų1860.1 Ų60.18%0.08432%0.316CS..  trans-95.7168.6174.8-56.2-160.3-164.900113.1G248 L272 T287 T289 R296G248-E267 VanDerWaalsContact O-CA 3.31Å; G248-E267 WeakPolarHBondContact O-CA 3.25Å; G248-E267 WeakPolarHBondContact O-CB 3.33Å; G248-E267 PolarHBondContact O-N 2.78Å; E267-L272 WeakPolarHBondContact OE1-CD2 3.35Å; E267-T287 WeakPolarHBondContact OE1-CB 3.48Å; E267-T287 WeakPolarHBondContact OE1-CG2 3.38Å; E267-T287 PolarHBondContact OE1-OG1 3.26Å; E267-T289 WeakPolarHBondContact OE2-CG2 3.43Å; E267-R296 IonicContact OE2-NH1 2.69Å; E267-R296 PolarHBondContact OE2-NH1 2.93Å
268Q67.3Low88.3Confident125 Ų12554.7 Ų54.758%0.58429%0.293SS*.  trans-44.9161169.5-68.5-65.9-27.200113.1K270Q268-K270 PolarHBondContact O-N 3.44Å
269P71.2Confident88.2Confident123 Ų12356 Ų5680%0.79930%0.303SS*.SBendtrans-65.9-1.6-163.826.1-37.2000116.6
270K86.8Confident88.2Confident99 Ų9948.5 Ų48.543%0.4327%0.268SS..SBendtrans-92.1142.6-178.1-64.3-172.1-175.21800110.7Q268 R290Q268-K270 PolarHBondContact O-N 3.44Å; K270-R290 VanDerWaalsContact CD-O 3.26Å; K270-R290 WeakPolarHBondContact CD-O 3.41Å
271P90.3Very high88Confident29 Ų2945.5 Ų45.519%0.18825%0.254CS..PPolyproline II helixtrans-68.5146.2-179.628.7-34.3000111.9R290P271-R290 HydrophobicContact CG-CB 4.06Å; P271-R290 VanDerWaalsContact CG-CZ 3.46Å; P271-R290 VanDerWaalsContact O-CB 3.31Å; P271-R290 WeakPolarHBondContact O-CB 3.5Å; P271-R290 PolarHBondContact O-N 3.33Å
272L91.8Very high87.8Confident10 Ų1046.8 Ų46.85%0.05226%0.261CS..EExtended strand (participates in β ladder)trans-68.3140.1172.3-72.5165.4000111F245 E247 V250 E267 V275 L288 T289F245-L272 HydrophobicContact CB-CD1 3.78Å; F245-L272 HydrophobicContact CD2-CB 3.71Å; F245-L272 HydrophobicContact CD2-CD1 4.19Å; F245-L272 HydrophobicContact CE2-CB 4.06Å; F245-L272 HydrophobicContact CG-CB 4.45Å; F245-L272 HydrophobicContact CG-CD1 4.21Å; E247-L272 WeakPolarHBondContact O-CB 3.03Å; E247-L272 WeakPolarHBondContact O-CD1 3.34Å; E247-L272 WeakPolarHBondContact O-CG 3.47Å; E247-L272 PolarHBondContact O-N 2.96Å; V250-L272 HydrophobicContact CG2-CD1 3.4Å; E267-L272 WeakPolarHBondContact OE1-CD2 3.35Å; L272-V275 HydrophobicContact CD1-CG2 4.15Å; L272-V275 HydrophobicContact CD2-CG2 4.48Å; L272-L288 WeakPolarHBondContact CA-O 3.3Å; L272-L288 WeakPolarHBondContact CD2-O 3.16Å; L272-T289 HydrophobicContact CD2-CG2 3.88Å
273T90.3Very high87.6Confident48 Ų4843.4 Ų43.429%0.29424%0.241SC..EExtended strand (participates in β ladder)trans-106.9-32.5173.852.30000111.8L288 R290T273-L288 PolarHBondContact N-O 3.07Å; T273-L288 WeakPolarHBondContact OG1-CD2 3.36Å; T273-L288 WeakPolarHBondContact OG1-CG 3.39Å; T273-L288 PolarHBondContact OG1-O 2.83Å; T273-R290 HydrophobicContact CG2-CB 3.84Å; T273-R290 HydrophobicContact CG2-CG 4.27Å
274K92.4Very high87.7Confident33 Ų3342.6 Ų42.614%0.14324%0.237CC..EExtended strand (participates in β ladder)trans-150.7141.2179.7-166.2160.9-173.4169.80111.9D8 I9 T287 L288 S329 F330D8-K274 IonicContact OD1-NZ 3.89Å; D8-K274 PolarHBondContact OD1-NZ 3.21Å; I9-K274 PolarHBondContact O-NZ 3.25Å; K274-T287 WeakPolarHBondContact O-CA 3.21Å; K274-L288 HydrophobicContact CB-CB 4.34Å; K274-L288 PolarHBondContact N-O 3.1Å; K274-L288 PolarHBondContact O-N 3.21Å; K274-S329 WeakPolarHBondContact CD-OG 3.38Å; K274-S329 PolarHBondContact NZ-OG 3.2Å; K274-F330 HydrophobicContact CB-CD1 4.41Å; K274-F330 HydrophobicContact CB-CE1 3.95Å; K274-F330 HydrophobicContact CD-CD1 4.32Å; K274-F330 HydrophobicContact CD-CE1 4.34Å; K274-F330 WeakPolarHBondContact CD-O 3.46Å; K274-F330 WeakPolarHBondContact CE-O 3.31Å; K274-F330 HydrophobicContact CG-CD1 4.44Å; K274-F330 HydrophobicContact CG-CE1 3.99Å; K274-F330 HydrophobicContact CG-CZ 4.43Å; K274-F330 PolarHBondContact NZ-O 2.86Å
275V95.4Very high87.8Confident12 Ų1239.5 Ų39.57%0.07322%0.218CC..EExtended strand (participates in β ladder)trans-134.5126.8174.2176.90000107.5T233 A243 F245 V250 L272 L285 A286 T287T233-V275 HydrophobicContact CG2-CG1 4.21Å; A243-V275 HydrophobicContact CB-CG1 4.34Å; F245-V275 HydrophobicContact CB-CG2 4.07Å; F245-V275 HydrophobicContact CD1-CB 3.66Å; F245-V275 HydrophobicContact CD1-CG1 4.49Å; F245-V275 HydrophobicContact CD1-CG2 3.36Å; F245-V275 HydrophobicContact CD2-CG2 4.37Å; F245-V275 HydrophobicContact CE1-CB 3.83Å; F245-V275 HydrophobicContact CE1-CG2 3.77Å; F245-V275 HydrophobicContact CG-CB 4.47Å; F245-V275 HydrophobicContact CG-CG2 3.69Å; F245-V275 HydrophobicContact CZ-CG2 4.45Å; V250-V275 HydrophobicContact CG1-CG1 4.4Å; V250-V275 HydrophobicContact CG2-CG2 4.1Å; L272-V275 HydrophobicContact CD1-CG2 4.15Å; L272-V275 HydrophobicContact CD2-CG2 4.48Å; V275-L285 HydrophobicContact CG1-CD1 3.67Å; V275-L285 HydrophobicContact CG1-CD2 4.16Å; V275-L285 HydrophobicContact CG1-CG 4.11Å; V275-A286 WeakPolarHBondContact CA-O 3.36Å; V275-T287 HydrophobicContact CG1-CG2 4.29Å; V275-T287 HydrophobicContact CG2-CG2 4.08Å
276A95.4Very high88Confident18 Ų1838.9 Ų38.915%0.14921%0.214CC..EExtended strand (participates in β ladder)trans-147.7130.2-176.700000112.3A286 F330 W332A276-A286 PolarHBondContact N-O 2.72Å; A276-A286 PolarHBondContact O-N 3.01Å; A276-F330 HydrophobicContact CB-CE2 3.91Å; A276-F330 HydrophobicContact CB-CZ 3.98Å; A276-W332 PolarHBondContact O-NE1 2.76Å
277W94.7Very high88.5Confident11 Ų1134.1 Ų34.14%0.04219%0.185CC..EExtended strand (participates in β ladder)trans-69144.1170.3-67.3106.9000111.4T233 D235 P236 R241 A243 I252 P279 L285 M300T233-W277 PolarHBondContact O-NE1 3.17Å; T233-W277 VanDerWaalsContact O-NE1 3.14Å; D235-W277 HydrophobicContact CB-CD2 4.05Å; D235-W277 HydrophobicContact CB-CG 4.35Å; D235-W277 HydrophobicContact CB-CZ2 4.41Å; P236-W277 HydrophobicContact CG-CB 4.1Å; R241-W277 HydrophobicContact CG-CZ2 4.31Å; A243-W277 HydrophobicContact CB-CZ2 3.7Å; I252-W277 HydrophobicContact CD1-CH2 4.12Å; I252-W277 HydrophobicContact CD1-CZ2 4.09Å; W277-P279 WeakPolarHBondContact O-CD 3.44Å; W277-L285 HydrophobicContact CD2-CD1 3.57Å; W277-L285 HydrophobicContact CE3-CB 3.9Å; W277-L285 HydrophobicContact CE3-CD1 3.74Å; W277-L285 HydrophobicContact CE3-CG 4.42Å; W277-L285 HydrophobicContact CG-CD1 4.02Å; W277-L285 HydrophobicContact CH2-CB 4.06Å; W277-L285 HydrophobicContact CH2-CD1 4.01Å; W277-L285 HydrophobicContact CH2-CD2 4.2Å; W277-L285 HydrophobicContact CH2-CG 4.34Å; W277-L285 HydrophobicContact CZ2-CD1 3.96Å; W277-L285 HydrophobicContact CZ3-CB 3.58Å; W277-L285 HydrophobicContact CZ3-CD1 3.94Å; W277-L285 HydrophobicContact CZ3-CG 4.23Å; W277-M300 HydrophobicContact CH2-CE 3.27Å; W277-M300 HydrophobicContact CH2-SD 4.01Å; W277-M300 HydrophobicContact CZ3-CE 3.27Å; W277-M300 HydrophobicContact CZ3-SD 4.37Å
278C92.8Very high89.5Confident1 Ų133.3 Ų33.31%0.00718%0.181CC..  trans-72.2122.5169.9-172.20000109.9T280 R281 L284 W332C278-T280 VanDerWaalsContact C-N 3.32Å; C278-T280 PolarHBondContact O-N 3.27Å; C278-T280 PolarHBondContact SG-OG1 3.01Å; C278-T280 VanDerWaalsContact SG-OG1 3.33Å; C278-R281 HydrophobicContact CB-CB 4.27Å; C278-R281 VanDerWaalsContact O-O 3.11Å; C278-L284 HydrophobicContact CB-CB 3.83Å; C278-L284 HydrophobicContact CB-CD2 3.9Å; C278-L284 HydrophobicContact CB-CG 4.01Å; C278-L284 WeakPolarHBondContact CB-O 3.3Å; C278-L284 PolarHBondContact N-O 3.47Å; C278-W332 HydrophobicContact CB-CD2 4.2Å; C278-W332 HydrophobicContact CB-CZ2 4.15Å
279P91.4Very high90.7Very high44 Ų4427.7 Ų27.729%0.28616%0.156SC..SBendtrans-74.6-21.5-179.230.1-34.2000113H237 W277 W332 H333H237-P279 PolarHBondContact CE1-O 3.25Å; H237-P279 PolarHBondContact NE2-O 2.91Å; W277-P279 WeakPolarHBondContact O-CD 3.44Å; P279-W332 HydrophobicContact CG-CB 3.94Å; P279-H333 WeakPolarHBondContact CG-O 3.25Å
280T89.2Confident91.6Very high12 Ų1227.3 Ų27.37%0.07414%0.138CC..SBendtrans-98.1-14.8-176.456.90000114C278 P334 S335 R375C278-T280 VanDerWaalsContact C-N 3.32Å; C278-T280 PolarHBondContact O-N 3.27Å; C278-T280 PolarHBondContact SG-OG1 3.01Å; C278-T280 VanDerWaalsContact SG-OG1 3.33Å; T280-P334 WeakPolarHBondContact CG2-O 3.45Å; T280-S335 WeakPolarHBondContact CG2-O 3.3Å; T280-R375 PolarHBondContact O-NH2 3.3Å; T280-R375 VanDerWaalsContact O-NH2 3.08Å
281R86.3Confident91.6Very high58 Ų5826.2 Ų26.222%0.21914%0.137CC..SBendtrans-131.5123.6-175.3-176.6178.6170.11794111.2C278 L284 D299 E357C278-R281 HydrophobicContact CB-CB 4.27Å; C278-R281 VanDerWaalsContact O-O 3.11Å; R281-L284 HydrophobicContact CB-CB 4.32Å; R281-L284 HydrophobicContact CG-CB 4.1Å; R281-D299 IonicContact CZ-OD1 2.71Å; R281-D299 IonicContact CZ-OD2 3.79Å; R281-D299 IonicContact NE-OD1 2.8Å; R281-D299 IonicContact NH2-OD1 3.27Å; R281-D299 PolarHBondContact NH2-OD1 3.1Å; R281-D299 IonicContact NH2-OD2 3.37Å; R281-D299 PolarHBondContact NH2-OD2 3.02Å; R281-E357 IonicContact CZ-OE1 3.89Å; R281-E357 IonicContact CZ-OE2 2.73Å; R281-E357 IonicContact NH1-OE1 2.72Å; R281-E357 PolarHBondContact NH1-OE1 3.16Å; R281-E357 IonicContact NH1-OE2 3.41Å; R281-E357 PolarHBondContact NH1-OE2 3.13Å
282T87.9Confident91.7Very high71 Ų7125.6 Ų25.644%0.43613%0.133SC..THydrogen-bonded Turntrans-60.2134.9175.4540000111.7H237 F238 L284H237-T282 HydrophobicContact CB-CG2 3.85Å; F238-T282 HydrophobicContact CE2-CG2 4.3Å; T282-L284 PolarHBondContact O-N 3.34Å
283G86.2Confident91.7Very high1 Ų127.1 Ų27.11%0.0114%0.142CC..THydrogen-bonded Turntrans72.65169.300000116.1M300G283-M300 PolarHBondContact O-N 3.47Å
284L91.3Very high91.9Very high3 Ų327.5 Ų27.52%0.01614%0.141CC..EExtended strand (participates in β ladder)trans-94116.3176-179.665.1000110.8C278 R281 T282 L297 Y298 D299 W332C278-L284 HydrophobicContact CB-CB 3.83Å; C278-L284 HydrophobicContact CB-CD2 3.9Å; C278-L284 HydrophobicContact CB-CG 4.01Å; C278-L284 WeakPolarHBondContact CB-O 3.3Å; C278-L284 PolarHBondContact N-O 3.47Å; R281-L284 HydrophobicContact CB-CB 4.32Å; R281-L284 HydrophobicContact CG-CB 4.1Å; T282-L284 PolarHBondContact O-N 3.34Å; L284-L297 HydrophobicContact CD1-CB 4.1Å; L284-Y298 WeakPolarHBondContact CA-O 3.37Å; L284-D299 HydrophobicContact CD1-CB 4.24Å; L284-W332 HydrophobicContact CD2-CH2 3.77Å; L284-W332 HydrophobicContact CD2-CZ2 4.02Å; L284-W332 HydrophobicContact CG-CZ2 4.35Å
285L94.3Very high92Very high0 Ų025.9 Ų25.90%013%0.134CC..EExtended strand (participates in β ladder)trans-109.9132.4176.3-172.467000110.7A243 V250 I252 L265 V275 W277 T287 L297 Y298A243-L285 HydrophobicContact CB-CD1 4.29Å; A243-L285 HydrophobicContact CB-CD2 4.34Å; V250-L285 HydrophobicContact CG1-CD2 4.09Å; I252-L285 HydrophobicContact CD1-CD2 3.95Å; L265-L285 HydrophobicContact CD1-CD2 4.17Å; V275-L285 HydrophobicContact CG1-CD1 3.67Å; V275-L285 HydrophobicContact CG1-CD2 4.16Å; V275-L285 HydrophobicContact CG1-CG 4.11Å; W277-L285 HydrophobicContact CD2-CD1 3.57Å; W277-L285 HydrophobicContact CE3-CB 3.9Å; W277-L285 HydrophobicContact CE3-CD1 3.74Å; W277-L285 HydrophobicContact CE3-CG 4.42Å; W277-L285 HydrophobicContact CG-CD1 4.02Å; W277-L285 HydrophobicContact CH2-CB 4.06Å; W277-L285 HydrophobicContact CH2-CD1 4.01Å; W277-L285 HydrophobicContact CH2-CD2 4.2Å; W277-L285 HydrophobicContact CH2-CG 4.34Å; W277-L285 HydrophobicContact CZ2-CD1 3.96Å; W277-L285 HydrophobicContact CZ3-CB 3.58Å; W277-L285 HydrophobicContact CZ3-CD1 3.94Å; W277-L285 HydrophobicContact CZ3-CG 4.23Å; L285-T287 HydrophobicContact CD2-CG2 4.46Å; L285-T287 HydrophobicContact CG-CG2 4.45Å; L285-L297 CarbonylContact O-C 3.47Å; L285-L297 WeakPolarHBondContact O-CA 3.47Å; L285-Y298 PolarHBondContact N-O 3.47Å; L285-Y298 PolarHBondContact O-N 2.99Å
286A95.4Very high92Very high0 Ų027.2 Ų27.20%014%0.138CC..EExtended strand (participates in β ladder)trans-106.6142.2170.800000111.6V275 A276 I295 R296 L297 F330 W332V275-A286 WeakPolarHBondContact CA-O 3.36Å; A276-A286 PolarHBondContact N-O 2.72Å; A276-A286 PolarHBondContact O-N 3.01Å; A286-I295 HydrophobicContact CB-CG2 3.98Å; A286-R296 CarbonylContact C-O 3.51Å; A286-R296 VanDerWaalsContact CA-O 3.28Å; A286-R296 WeakPolarHBondContact CA-O 3.5Å; A286-L297 HydrophobicContact CB-CD2 3.72Å; A286-F330 HydrophobicContact CB-CE2 3.48Å; A286-F330 VanDerWaalsContact CB-CE2 3.48Å; A286-F330 HydrophobicContact CB-CZ 3.49Å; A286-F330 VanDerWaalsContact CB-CZ 3.49Å; A286-W332 HydrophobicContact CB-CZ2 3.7Å
287T95.5Very high91.9Very high1 Ų126.6 Ų26.61%0.00613%0.132CC..EExtended strand (participates in β ladder)trans-132.4144.5176.1690000111.4V250 E267 K274 V275 L285 I295 R296 Y298V250-T287 HydrophobicContact CG2-CG2 4.04Å; E267-T287 WeakPolarHBondContact OE1-CB 3.48Å; E267-T287 WeakPolarHBondContact OE1-CG2 3.38Å; E267-T287 PolarHBondContact OE1-OG1 3.26Å; K274-T287 WeakPolarHBondContact O-CA 3.21Å; V275-T287 HydrophobicContact CG1-CG2 4.29Å; V275-T287 HydrophobicContact CG2-CG2 4.08Å; L285-T287 HydrophobicContact CD2-CG2 4.46Å; L285-T287 HydrophobicContact CG-CG2 4.45Å; T287-I295 WeakPolarHBondContact O-CA 3.48Å; T287-R296 PolarHBondContact N-O 3.42Å; T287-R296 PolarHBondContact O-N 3.04Å; T287-Y298 HydrophobicContact CG2-CD2 4.08Å; T287-Y298 HydrophobicContact CG2-CE2 3.87Å
288L94.4Very high91.8Very high0 Ų026.4 Ų26.40%013%0.132CC..EExtended strand (participates in β ladder)trans-126129176.7176.668.2000109.5L272 T273 K274 I295 I327 F330L272-L288 WeakPolarHBondContact CA-O 3.3Å; L272-L288 WeakPolarHBondContact CD2-O 3.16Å; T273-L288 PolarHBondContact N-O 3.07Å; T273-L288 WeakPolarHBondContact OG1-CD2 3.36Å; T273-L288 WeakPolarHBondContact OG1-CG 3.39Å; T273-L288 PolarHBondContact OG1-O 2.83Å; K274-L288 HydrophobicContact CB-CB 4.34Å; K274-L288 PolarHBondContact N-O 3.1Å; K274-L288 PolarHBondContact O-N 3.21Å; L288-I295 HydrophobicContact CD1-CG1 4.3Å; L288-I327 HydrophobicContact CD1-CB 3.83Å; L288-I327 HydrophobicContact CD1-CD1 4.46Å; L288-I327 HydrophobicContact CD1-CG2 3.89Å; L288-I327 HydrophobicContact CD2-CB 4.3Å; L288-I327 HydrophobicContact CD2-CG2 3.64Å; L288-I327 HydrophobicContact CG-CG2 4.43Å; L288-F330 HydrophobicContact CB-CD1 3.91Å; L288-F330 HydrophobicContact CB-CE1 3.69Å; L288-F330 HydrophobicContact CD2-CD1 4.2Å
289T92.6Very high91.6Very high8 Ų827.2 Ų27.25%0.04914%0.136CC..EExtended strand (participates in β ladder)trans-97.7154.8174.951.30000111.5E267 L272 D291 S292E267-T289 WeakPolarHBondContact OE2-CG2 3.43Å; L272-T289 HydrophobicContact CD2-CG2 3.88Å; T289-D291 PolarHBondContact O-N 3.13Å; T289-S292 VanDerWaalsContact O-CB 3.26Å; T289-S292 WeakPolarHBondContact O-CB 3.33Å; T289-S292 PolarHBondContact O-N 3.28Å; T289-S292 VanDerWaalsContact OG1-CB 3.25Å; T289-S292 WeakPolarHBondContact OG1-CB 3.28Å
290R89.4Confident91.4Very high115 Ų11525.4 Ų25.443%0.43412%0.124SC..THydrogen-bonded Turntrans-59.3133.7-179.9-172.1173.872.2-162.8-2.8111.6K270 P271 T273 S292K270-R290 VanDerWaalsContact CD-O 3.26Å; K270-R290 WeakPolarHBondContact CD-O 3.41Å; P271-R290 HydrophobicContact CG-CB 4.06Å; P271-R290 VanDerWaalsContact CG-CZ 3.46Å; P271-R290 VanDerWaalsContact O-CB 3.31Å; P271-R290 WeakPolarHBondContact O-CB 3.5Å; P271-R290 PolarHBondContact O-N 3.33Å; T273-R290 HydrophobicContact CG2-CB 3.84Å; T273-R290 HydrophobicContact CG2-CG 4.27Å; R290-S292 PolarHBondContact O-N 3.03Å
291D87.4Confident90.9Very high76 Ų7629.2 Ų29.241%0.40614%0.14SC..THydrogen-bonded Turntrans56.836.1177-41.1-34.3000112.4T289T289-D291 PolarHBondContact O-N 3.13Å
292S90.9Very high89.9Confident15 Ų1531.2 Ų31.211%0.10515%0.152CC..  trans-109.8145.9176.8-176.70000110.4T289 R290 I294 I327T289-S292 VanDerWaalsContact O-CB 3.26Å; T289-S292 WeakPolarHBondContact O-CB 3.33Å; T289-S292 PolarHBondContact O-N 3.28Å; T289-S292 VanDerWaalsContact OG1-CB 3.25Å; T289-S292 WeakPolarHBondContact OG1-CB 3.28Å; R290-S292 PolarHBondContact O-N 3.03Å; S292-I294 PolarHBondContact OG-N 2.85Å; S292-I294 PolarHBondContact OG-O 3.34Å; S292-I294 VanDerWaalsContact OG-O 3.08Å; S292-I327 PolarHBondContact O-N 3.36Å
293N92.8Very high88.3Confident43 Ų4331.2 Ų31.223%0.2315%0.152CC..SBendtrans-99.65.8166.164.7-25.7000112.4Q321 S325 I327N293-Q321 PolarHBondContact ND2-NE2 3.36Å; N293-S325 WeakPolarHBondContact CB-O 3.43Å; N293-I327 VanDerWaalsContact O-CD1 3.3Å; N293-I327 WeakPolarHBondContact O-CD1 3.28Å
294I94Very high86.4Confident55 Ų5537.1 Ų37.128%0.28219%0.19SC..  trans-110.6131.9-178.8-62169.9000109.6S292 V320S292-I294 PolarHBondContact OG-N 2.85Å; S292-I294 PolarHBondContact OG-O 3.34Å; S292-I294 VanDerWaalsContact OG-O 3.08Å; I294-V320 WeakPolarHBondContact CA-O 3.44Å
295I94.7Very high84.2Confident0 Ų040.8 Ų40.80%021%0.213CC..EExtended strand (participates in β ladder)trans-100.9128.3166.5-60.7175.8000107.7A286 T287 L288 L297 V320 P322 I327 F330 M340 V342A286-I295 HydrophobicContact CB-CG2 3.98Å; T287-I295 WeakPolarHBondContact O-CA 3.48Å; L288-I295 HydrophobicContact CD1-CG1 4.3Å; I295-L297 HydrophobicContact CG2-CD2 4.16Å; I295-V320 HydrophobicContact CB-CG2 3.88Å; I295-V320 HydrophobicContact CG2-CG2 4.38Å; I295-V320 PolarHBondContact N-O 2.85Å; I295-V320 PolarHBondContact O-N 2.91Å; I295-P322 HydrophobicContact CD1-CG 3.91Å; I295-P322 HydrophobicContact CG1-CG 4.46Å; I295-I327 HydrophobicContact CD1-CD1 4.17Å; I295-I327 HydrophobicContact CG1-CD1 3.88Å; I295-F330 HydrophobicContact CD1-CB 3.8Å; I295-F330 HydrophobicContact CD1-CD1 4.05Å; I295-F330 HydrophobicContact CD1-CD2 4.39Å; I295-F330 HydrophobicContact CD1-CG 3.82Å; I295-F330 HydrophobicContact CG1-CD1 4.47Å; I295-M340 HydrophobicContact CD1-SD 3.62Å; I295-V342 HydrophobicContact CD1-CG2 4.07Å
296R94.1Very high81.9Confident40 Ų4046.9 Ų46.915%0.15125%0.253CS..EExtended strand (participates in β ladder)trans-92.2143.5172.5-66.7-173.4177.789.314.8110E267 A286 T287 Y298 E317 R318E267-R296 IonicContact OE2-NH1 2.69Å; E267-R296 PolarHBondContact OE2-NH1 2.93Å; A286-R296 CarbonylContact C-O 3.51Å; A286-R296 VanDerWaalsContact CA-O 3.28Å; A286-R296 WeakPolarHBondContact CA-O 3.5Å; T287-R296 PolarHBondContact N-O 3.42Å; T287-R296 PolarHBondContact O-N 3.04Å; R296-Y298 HydrophobicContact CB-CE2 3.94Å; R296-Y298 WeakPolarHBondContact CD-OH 3.12Å; R296-E317 IonicContact NE-OE1 3.74Å; R296-R318 CarbonylContact C-O 3.52Å; R296-R318 WeakPolarHBondContact CA-O 3.46Å
297L94Very high79.4Confident4 Ų454.2 Ų54.22%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-121.9127-179.8-59.5-179.5000108.5L284 L285 A286 I295 E317 R318 V320 W332 V355L284-L297 HydrophobicContact CD1-CB 4.1Å; L285-L297 CarbonylContact O-C 3.47Å; L285-L297 WeakPolarHBondContact O-CA 3.47Å; A286-L297 HydrophobicContact CB-CD2 3.72Å; I295-L297 HydrophobicContact CG2-CD2 4.16Å; L297-E317 WeakPolarHBondContact O-CA 3.49Å; L297-R318 HydrophobicContact CB-CB 4.32Å; L297-R318 PolarHBondContact N-O 2.9Å; L297-R318 PolarHBondContact O-N 3.31Å; L297-V320 HydrophobicContact CD1-CG1 3.81Å; L297-V320 HydrophobicContact CD1-CG2 4.22Å; L297-V320 HydrophobicContact CG-CG2 4.37Å; L297-W332 HydrophobicContact CD2-CH2 3.94Å; L297-W332 HydrophobicContact CD2-CZ2 3.79Å; L297-V355 HydrophobicContact CD1-CB 4.46Å; L297-V355 HydrophobicContact CD1-CG1 3.47Å; L297-V355 VanDerWaalsContact CD1-CG1 3.47Å; L297-V355 HydrophobicContact CD1-CG2 4.09Å
298Y92.1Very high77Confident8 Ų857 Ų573%0.03132%0.319CS..EExtended strand (participates in β ladder)trans-115.4109.1176.2-60.9-82.2000108.5L265 L284 L285 T287 R296 I315 E317L265-Y298 HydrophobicContact CD1-CD1 4.03Å; L265-Y298 HydrophobicContact CD1-CD2 3.87Å; L265-Y298 HydrophobicContact CD1-CE1 4.38Å; L265-Y298 HydrophobicContact CD1-CE2 4.23Å; L265-Y298 HydrophobicContact CD1-CG 3.75Å; L265-Y298 HydrophobicContact CD2-CD1 4.03Å; L265-Y298 HydrophobicContact CD2-CE1 4.24Å; L284-Y298 WeakPolarHBondContact CA-O 3.37Å; L285-Y298 PolarHBondContact N-O 3.47Å; L285-Y298 PolarHBondContact O-N 2.99Å; T287-Y298 HydrophobicContact CG2-CD2 4.08Å; T287-Y298 HydrophobicContact CG2-CE2 3.87Å; R296-Y298 HydrophobicContact CB-CE2 3.94Å; R296-Y298 WeakPolarHBondContact CD-OH 3.12Å; Y298-I315 HydrophobicContact CD1-CG2 3.94Å; Y298-I315 HydrophobicContact CG-CG2 4.49Å; Y298-E317 HydrophobicContact CD1-CB 4.31Å; Y298-E317 HydrophobicContact CD1-CG 4.27Å; Y298-E317 HydrophobicContact CE1-CB 4.22Å; Y298-E317 HydrophobicContact CE1-CG 3.8Å
299D88.8Confident74.8Confident17 Ų1763.9 Ų63.99%0.09136%0.355CS..EExtended strand (participates in β ladder)trans-96.7105.4176.1176.833.8000109.1R281 L284 I315 I316R281-D299 IonicContact CZ-OD1 2.71Å; R281-D299 IonicContact CZ-OD2 3.79Å; R281-D299 IonicContact NE-OD1 2.8Å; R281-D299 IonicContact NH2-OD1 3.27Å; R281-D299 PolarHBondContact NH2-OD1 3.1Å; R281-D299 IonicContact NH2-OD2 3.37Å; R281-D299 PolarHBondContact NH2-OD2 3.02Å; L284-D299 HydrophobicContact CD1-CB 4.24Å; D299-I315 WeakPolarHBondContact O-CA 3.26Å; D299-I316 HydrophobicContact CB-CB 4.24Å; D299-I316 PolarHBondContact N-O 2.85Å; D299-I316 PolarHBondContact O-N 3.22Å
300M87.7Confident73Confident7 Ų770 Ų703%0.03438%0.384CS..EExtended strand (participates in β ladder)trans-87.9110.7179.8-59.9176.2-49.900109.6L263 W277 G283L263-M300 HydrophobicContact CD2-SD 4.44Å; W277-M300 HydrophobicContact CH2-CE 3.27Å; W277-M300 HydrophobicContact CH2-SD 4.01Å; W277-M300 HydrophobicContact CZ3-CE 3.27Å; W277-M300 HydrophobicContact CZ3-SD 4.37Å; G283-M300 PolarHBondContact O-N 3.47Å
301Q79.3Confident71.5Confident91 Ų9169 Ų6943%0.42539%0.39SS..EExtended strand (participates in β ladder)trans-79.6130.2177.9-60.7-162.2-24.300110.5T303 T314 I316Q301-T303 PolarHBondContact O-N 2.93Å; Q301-T314 PolarHBondContact N-O 2.65Å; Q301-I316 HydrophobicContact CG-CD1 4.41Å
302H65.3Low70.5Confident101 Ų10172.9 Ų72.947%0.46841%0.406SS..  trans-78.9103.8168.1-77.6-78.9000108.7F238 R241 P304F238-H302 AromaticContact CD2-NE2 3.98Å; F238-H302 AromaticContact CE2-NE2 3.21Å; F238-H302 WeakPolarHBondContact CE2-NE2 3.42Å; F238-H302 AromaticContact CZ-CD2 3.97Å; F238-H302 AromaticContact CZ-CE1 3.75Å; F238-H302 AromaticContact CZ-NE2 3.23Å; F238-H302 WeakPolarHBondContact CZ-NE2 3.45Å; R241-H302 PolarHBondContact NH1-NE2 3.21Å; R241-H302 PolarHBondContact NH2-CE1 3.22Å; R241-H302 PolarHBondContact NH2-NE2 2.93Å; H302-P304 VanDerWaalsContact O-CD 3.23Å; H302-P304 WeakPolarHBondContact O-CD 3.25Å
303T53.2Low69.6Low70 Ų7073.9 Ų73.943%0.42941%0.412SS..  trans-76.6115.716628.90000109.4Q301 T305Q301-T303 PolarHBondContact O-N 2.93Å; T303-T305 PolarHBondContact O-N 2.79Å
304P47.8Very low69Low125 Ų12575.3 Ų75.381%0.81242%0.423SS*.  trans-78.875.9168.732.7-31.1000108.4H302H302-P304 VanDerWaalsContact O-CD 3.23Å; H302-P304 WeakPolarHBondContact O-CD 3.25Å
305T44.7Very low68.6Low80 Ų8075.3 Ų75.349%0.49142%0.423SS..  trans-92.8121.2171.132.50000109.8T303 I307T303-T305 PolarHBondContact O-N 2.79Å; T305-I307 VanDerWaalsContact C-N 3.26Å; T305-I307 PolarHBondContact O-N 3.33Å
306P44.9Very low68.2Low129 Ų12978.3 Ų78.384%0.83844%0.438SS*.  trans-79.57.2-177.1-10.626.9000115.3
307I42.8Very low68Low154 Ų15482 Ų8279%0.7946%0.457SS*.SBendtrans-144.4108.7-166.1-50.2178.1000110.6T305T305-I307 VanDerWaalsContact C-N 3.26Å; T305-I307 PolarHBondContact O-N 3.33Å
308G46.4Very low67.8Low59 Ų5984.8 Ų84.861%0.60847%0.467SS*.  trans105.6114.2165.500000115.4
309D48.4Very low67.8Low144 Ų14488.5 Ų88.577%0.7749%0.494SS*.SBendtrans-53.4136.8160.9-104.9-25.8000108.9
310E53.5Low68Low138 Ų13888.8 Ų88.865%0.64550%0.497SS*.  trans8750.8178.3-41.5-79.3126.500116.8K260K260-E310 IonicContact NZ-OE2 3.09Å; K260-E310 PolarHBondContact NZ-OE2 3.26Å; K260-E310 VanDerWaalsContact NZ-OE2 3.13Å
311T59.4Low68.3Low93 Ų9393 Ų9357%0.57152%0.516SS*.  trans-104.7120.9155.616.70000110.2
312E65.6Low68.9Low158 Ų15889.3 Ų89.374%0.73850%0.5SS*.PPolyproline II helixtrans-63.2137.9174.5-70.2-175.4167.200110.1
313P71.5Confident70Confident35 Ų3585.5 Ų85.523%0.22749%0.485CS..PPolyproline II helixtrans-62.6139.317826.7-33.7000110.4L263 I315L263-P313 HydrophobicContact CD2-CG 4.41Å; P313-I315 WeakPolarHBondContact O-CG1 3.43Å
314T80.4Confident71.7Confident74 Ų7489 Ų8945%0.45450%0.5SS..EExtended strand (participates in β ladder)trans-74.8133.2173.319.90000109.9Q301Q301-T314 PolarHBondContact N-O 2.65Å
315I85.1Confident73.7Confident55 Ų5584.8 Ų84.828%0.28247%0.474SS..EExtended strand (participates in β ladder)trans-122.1128-174.1-47.1176.7000109.2L263 L265 Y298 D299 P313L263-I315 HydrophobicContact CD1-CD1 3.63Å; L263-I315 HydrophobicContact CD2-CD1 3.19Å; L263-I315 HydrophobicContact CD2-CG1 4.24Å; L263-I315 HydrophobicContact CG-CD1 3.97Å; L265-I315 HydrophobicContact CD2-CD1 3.59Å; Y298-I315 HydrophobicContact CD1-CG2 3.94Å; Y298-I315 HydrophobicContact CG-CG2 4.49Å; D299-I315 WeakPolarHBondContact O-CA 3.26Å; P313-I315 WeakPolarHBondContact O-CG1 3.43Å
316I87.6Confident76Confident63 Ų6385.7 Ų85.732%0.32347%0.473SS..EExtended strand (participates in β ladder)trans-100110.7170.3-57.9179000107.6D299 Q301 R318D299-I316 HydrophobicContact CB-CB 4.24Å; D299-I316 PolarHBondContact N-O 2.85Å; D299-I316 PolarHBondContact O-N 3.22Å; Q301-I316 HydrophobicContact CG-CD1 4.41Å; I316-R318 HydrophobicContact CG2-CG 4.07Å
317E89.7Confident78.3Confident118 Ų11879.8 Ų79.855%0.55143%0.434SS*.EExtended strand (participates in β ladder)trans-85.8135.5174-176.7178.317200110.7R296 L297 Y298R296-E317 IonicContact NE-OE1 3.74Å; L297-E317 WeakPolarHBondContact O-CA 3.49Å; Y298-E317 HydrophobicContact CD1-CB 4.31Å; Y298-E317 HydrophobicContact CD1-CG 4.27Å; Y298-E317 HydrophobicContact CE1-CB 4.22Å; Y298-E317 HydrophobicContact CE1-CG 3.8Å
318R89.6Confident80.6Confident62 Ų6272.9 Ų72.923%0.23440%0.401CS..EExtended strand (participates in β ladder)trans-140.8154.3175.6-49-179.274.5175.7-10.6109.5R296 L297 I316 F356 E357R296-R318 CarbonylContact C-O 3.52Å; R296-R318 WeakPolarHBondContact CA-O 3.46Å; L297-R318 HydrophobicContact CB-CB 4.32Å; L297-R318 PolarHBondContact N-O 2.9Å; L297-R318 PolarHBondContact O-N 3.31Å; I316-R318 HydrophobicContact CG2-CG 4.07Å; R318-F356 PolarHBondContact NH2-O 2.92Å; R318-E357 IonicContact NH1-OE2 3.05Å; R318-E357 PolarHBondContact NH1-OE2 3.32Å
319S92.1Very high82.9Confident85 Ų8570.2 Ų70.259%0.59437%0.373SS*.EExtended strand (participates in β ladder)trans-120.8141.2171.448.10000109.5
320V93.5Very high85.2Confident24 Ų2463.3 Ų63.315%0.14534%0.336CS..EExtended strand (participates in β ladder)trans-126.2144.1172.5-62.50000108.9I294 I295 L297 P322 F353 V355I294-V320 WeakPolarHBondContact CA-O 3.44Å; I295-V320 HydrophobicContact CB-CG2 3.88Å; I295-V320 HydrophobicContact CG2-CG2 4.38Å; I295-V320 PolarHBondContact N-O 2.85Å; I295-V320 PolarHBondContact O-N 2.91Å; L297-V320 HydrophobicContact CD1-CG1 3.81Å; L297-V320 HydrophobicContact CD1-CG2 4.22Å; L297-V320 HydrophobicContact CG-CG2 4.37Å; V320-P322 HydrophobicContact CG2-CG 4.47Å; V320-P322 WeakPolarHBondContact O-CD 3.26Å; V320-F353 HydrophobicContact CB-CE1 3.76Å; V320-F353 HydrophobicContact CB-CZ 3.93Å; V320-F353 HydrophobicContact CG1-CE1 4.16Å; V320-F353 HydrophobicContact CG1-CZ 4.35Å; V320-F353 HydrophobicContact CG2-CE1 3.92Å; V320-V355 HydrophobicContact CG1-CG1 4.39Å
321Q94.4Very high87.2Confident94 Ų9457.2 Ų57.244%0.43931%0.31SS..  trans-119.290.7175.6179.8176.6-25.700108.1N293 C323 D324N293-Q321 PolarHBondContact ND2-NE2 3.36Å; Q321-C323 VanDerWaalsContact C-N 3.3Å; Q321-C323 WeakPolarHBondContact CG-O 3.42Å; Q321-C323 PolarHBondContact O-N 3.15Å; Q321-D324 PolarHBondContact NE2-OD1 2.97Å
322P91.6Very high88.9Confident14 Ų1453.4 Ų53.49%0.09129%0.285CS..SBendtrans-63.5-31.7-178.9-26.235.8000114.4I295 V320 I327 V342 F353I295-P322 HydrophobicContact CD1-CG 3.91Å; I295-P322 HydrophobicContact CG1-CG 4.46Å; V320-P322 HydrophobicContact CG2-CG 4.47Å; V320-P322 WeakPolarHBondContact O-CD 3.26Å; P322-I327 HydrophobicContact CG-CD1 4.28Å; P322-V342 HydrophobicContact CB-CB 4.25Å; P322-V342 HydrophobicContact CB-CG1 4.4Å; P322-V342 HydrophobicContact CB-CG2 3.74Å; P322-V342 HydrophobicContact CG-CG2 3.83Å; P322-F353 HydrophobicContact CB-CB 3.91Å; P322-F353 HydrophobicContact CB-CD1 4.15Å; P322-F353 HydrophobicContact CB-CD2 3.91Å; P322-F353 HydrophobicContact CB-CE2 4.5Å; P322-F353 HydrophobicContact CB-CG 3.71Å; P322-F353 HydrophobicContact CG-CB 4.48Å; P322-F353 HydrophobicContact CG-CD1 3.92Å; P322-F353 HydrophobicContact CG-CD2 4.44Å; P322-F353 HydrophobicContact CG-CE1 4.24Å; P322-F353 HydrophobicContact CG-CG 4.02Å
323C88.2Confident90.2Very high21 Ų2146.3 Ų46.314%0.14225%0.251CS..  trans-152.9165178.764.30000110.8Q321 S325Q321-C323 VanDerWaalsContact C-N 3.3Å; Q321-C323 WeakPolarHBondContact CG-O 3.42Å; Q321-C323 PolarHBondContact O-N 3.15Å; C323-S325 VanDerWaalsContact C-N 3.34Å; C323-S325 PolarHBondContact SG-OG 3.36Å
324D89Confident91.2Very high143 Ų14346.9 Ų46.977%0.76526%0.255SS*.SBendtrans-78.7-20.2-179.7-65.9-33.9000113.4Q321Q321-D324 PolarHBondContact NE2-OD1 2.97Å
325S89.8Confident91.6Very high38 Ų3846.8 Ų46.827%0.26626%0.258SS..SBendtrans-79.6157.2179.473.30000112.5N293 C323 I327 S344N293-S325 WeakPolarHBondContact CB-O 3.43Å; C323-S325 VanDerWaalsContact C-N 3.34Å; C323-S325 PolarHBondContact SG-OG 3.36Å; S325-I327 PolarHBondContact O-N 3.42Å; S325-S344 WeakPolarHBondContact CB-OG 3.33Å; S325-S344 WeakPolarHBondContact OG-CB 3.5Å; S325-S344 PolarHBondContact OG-OG 3.03Å
326Q92Very high91.8Very high98 Ų9846.2 Ų46.246%0.45826%0.259SS..PPolyproline II helixtrans-60.8132.5173.2-68.2177.4-6.200110.8S344 A345Q326-S344 WeakPolarHBondContact O-CA 3.18Å; Q326-S344 PolarHBondContact O-OG 3.24Å; Q326-A345 HydrophobicContact CB-CB 4.37Å; Q326-A345 PolarHBondContact O-N 2.94Å
327I93.8Very high91.7Very high5 Ų546.4 Ų46.43%0.02626%0.258CS..EExtended strand (participates in β ladder)trans-86.8128-178.3-62.2168.6000109.1L288 S292 N293 I295 P322 S325 V342L288-I327 HydrophobicContact CD1-CB 3.83Å; L288-I327 HydrophobicContact CD1-CD1 4.46Å; L288-I327 HydrophobicContact CD1-CG2 3.89Å; L288-I327 HydrophobicContact CD2-CB 4.3Å; L288-I327 HydrophobicContact CD2-CG2 3.64Å; L288-I327 HydrophobicContact CG-CG2 4.43Å; S292-I327 PolarHBondContact O-N 3.36Å; N293-I327 VanDerWaalsContact O-CD1 3.3Å; N293-I327 WeakPolarHBondContact O-CD1 3.28Å; I295-I327 HydrophobicContact CD1-CD1 4.17Å; I295-I327 HydrophobicContact CG1-CD1 3.88Å; P322-I327 HydrophobicContact CG-CD1 4.28Å; S325-I327 PolarHBondContact O-N 3.42Å; I327-V342 HydrophobicContact CB-CG1 4.12Å; I327-V342 HydrophobicContact CD1-CG1 3.78Å; I327-V342 HydrophobicContact CG1-CG1 3.61Å; I327-V342 HydrophobicContact CG2-CG1 3.42Å; I327-V342 VanDerWaalsContact CG2-CG1 3.42Å
328G91.5Very high91.5Very high9 Ų941.6 Ų41.69%0.09324%0.236CC..EExtended strand (participates in β ladder)trans-83-49.6173.700000111.6V343G328-V343 PolarHBondContact N-O 3.46Å
329S94.4Very high91.6Very high3 Ų340.5 Ų40.52%0.02123%0.232CC..EExtended strand (participates in β ladder)trans-157.9165.2179-173.50000110.9P7 D8 K274 V343P7-S329 WeakPolarHBondContact O-CB 3.45Å; D8-S329 PolarHBondContact OD1-OG 3.47Å; K274-S329 WeakPolarHBondContact CD-OG 3.38Å; K274-S329 PolarHBondContact NZ-OG 3.2Å; S329-V343 PolarHBondContact N-O 3.29Å; S329-V343 PolarHBondContact O-N 3.47Å
330F95.9Very high91.7Very high0 Ų036.4 Ų36.40%020%0.204CC..EExtended strand (participates in β ladder)trans-141.1157.9175.673.1-86.3000110.3K274 A276 A286 L288 I295 V341 V342K274-F330 HydrophobicContact CB-CD1 4.41Å; K274-F330 HydrophobicContact CB-CE1 3.95Å; K274-F330 HydrophobicContact CD-CD1 4.32Å; K274-F330 HydrophobicContact CD-CE1 4.34Å; K274-F330 WeakPolarHBondContact CD-O 3.46Å; K274-F330 WeakPolarHBondContact CE-O 3.31Å; K274-F330 HydrophobicContact CG-CD1 4.44Å; K274-F330 HydrophobicContact CG-CE1 3.99Å; K274-F330 HydrophobicContact CG-CZ 4.43Å; K274-F330 PolarHBondContact NZ-O 2.86Å; A276-F330 HydrophobicContact CB-CE2 3.91Å; A276-F330 HydrophobicContact CB-CZ 3.98Å; A286-F330 HydrophobicContact CB-CE2 3.48Å; A286-F330 VanDerWaalsContact CB-CE2 3.48Å; A286-F330 HydrophobicContact CB-CZ 3.49Å; A286-F330 VanDerWaalsContact CB-CZ 3.49Å; L288-F330 HydrophobicContact CB-CD1 3.91Å; L288-F330 HydrophobicContact CB-CE1 3.69Å; L288-F330 HydrophobicContact CD2-CD1 4.2Å; I295-F330 HydrophobicContact CD1-CB 3.8Å; I295-F330 HydrophobicContact CD1-CD1 4.05Å; I295-F330 HydrophobicContact CD1-CD2 4.39Å; I295-F330 HydrophobicContact CD1-CG 3.82Å; I295-F330 HydrophobicContact CG1-CD1 4.47Å; F330-V341 CarbonylContact C-O 3.54Å; F330-V341 WeakPolarHBondContact CA-O 3.37Å; F330-V342 HydrophobicContact CB-CG2 4.14Å
331A95.5Very high91.8Very high10 Ų1035.3 Ų35.38%0.08320%0.197CC..EExtended strand (participates in β ladder)trans-146.6135.3167.100000111.8I9 W11 M340 V341I9-A331 HydrophobicContact CB-CB 4.49Å; I9-A331 HydrophobicContact CG1-CB 4.14Å; I9-A331 HydrophobicContact CG2-CB 3.82Å; W11-A331 PolarHBondContact NE1-O 3.2Å; A331-M340 WeakPolarHBondContact O-CA 3.42Å; A331-M340 WeakPolarHBondContact O-CB 3.4Å; A331-V341 PolarHBondContact N-O 3.01Å; A331-V341 PolarHBondContact O-N 3.29Å
332W95.3Very high91.8Very high13 Ų1330.9 Ų30.95%0.04918%0.176CC..EExtended strand (participates in β ladder)trans-65.4140.2173.5-67.4110000111.3W11 A276 C278 P279 L284 A286 L297 M340 V355W11-W332 PolarHBondContact NE1-O 3.44Å; A276-W332 PolarHBondContact O-NE1 2.76Å; C278-W332 HydrophobicContact CB-CD2 4.2Å; C278-W332 HydrophobicContact CB-CZ2 4.15Å; P279-W332 HydrophobicContact CG-CB 3.94Å; L284-W332 HydrophobicContact CD2-CH2 3.77Å; L284-W332 HydrophobicContact CD2-CZ2 4.02Å; L284-W332 HydrophobicContact CG-CZ2 4.35Å; A286-W332 HydrophobicContact CB-CZ2 3.7Å; L297-W332 HydrophobicContact CD2-CH2 3.94Å; L297-W332 HydrophobicContact CD2-CZ2 3.79Å; W332-M340 HydrophobicContact CD2-CE 4.09Å; W332-M340 HydrophobicContact CE3-CB 4.03Å; W332-M340 HydrophobicContact CE3-CE 3.71Å; W332-M340 HydrophobicContact CH2-CE 3.19Å; W332-M340 HydrophobicContact CZ2-CE 3.63Å; W332-M340 HydrophobicContact CZ3-CB 4.48Å; W332-M340 HydrophobicContact CZ3-CE 3.24Å; W332-V355 HydrophobicContact CH2-CG2 3.98Å; W332-V355 HydrophobicContact CZ3-CG2 3.97Å
333H94Very high91.9Very high8 Ų830.2 Ų30.24%0.03717%0.172CC..  trans-64.9135.4170.3-167.8-69.6000109.7W11 P16 P279 S335 S336 R339W11-H333 AromaticContact CH2-CD2 3.64Å; W11-H333 HydrophobicContact CZ2-CB 4.44Å; W11-H333 AromaticContact CZ2-CD2 3.77Å; P16-H333 PolarHBondContact O-CE1 2.86Å; P16-H333 PolarHBondContact O-NE2 3.3Å; P279-H333 WeakPolarHBondContact CG-O 3.25Å; H333-S335 PolarHBondContact CE1-OG 2.81Å; H333-S335 VanDerWaalsContact CE1-OG 3.24Å; H333-S335 PolarHBondContact ND1-N 3.29Å; H333-S335 PolarHBondContact O-N 2.97Å; H333-S336 PolarHBondContact CE1-OG 2.7Å; H333-S336 WeakPolarHBondContact ND1-CB 3.44Å; H333-S336 PolarHBondContact ND1-N 3.04Å; H333-S336 PolarHBondContact ND1-OG 3.42Å; H333-R339 HydrophobicContact CB-CB 3.95Å; H333-R339 HydrophobicContact CB-CG 4.22Å; H333-R339 WeakPolarHBondContact CB-O 3.4Å; H333-R339 PolarHBondContact CD2-NH1 2.95Å; H333-R339 PolarHBondContact N-O 3.46Å; H333-R339 PolarHBondContact NE2-NH1 3.5Å
334P91.1Very high92Very high47 Ų4729.2 Ų29.231%0.30517%0.165SC..SBendtrans-68.2-33.9-172.523.3-33.7000114.1W11 P16 T280W11-P334 HydrophobicContact CD2-CG 4.37Å; W11-P334 HydrophobicContact CE3-CG 4.18Å; P16-P334 HydrophobicContact CB-CG 4.08Å; T280-P334 WeakPolarHBondContact CG2-O 3.45Å
335S90.3Very high91.9Very high72 Ų7224.6 Ų24.650%0.50315%0.147SC..SBendtrans-117.3-40.5-176.356.20000115.9P16 T280 H333 Q337P16-S335 WeakPolarHBondContact CB-OG 3.37Å; T280-S335 WeakPolarHBondContact CG2-O 3.3Å; H333-S335 PolarHBondContact CE1-OG 2.81Å; H333-S335 VanDerWaalsContact CE1-OG 3.24Å; H333-S335 PolarHBondContact ND1-N 3.29Å; H333-S335 PolarHBondContact O-N 2.97Å; S335-Q337 PolarHBondContact O-N 3.36Å
336S88.5Confident91.4Very high44 Ų4427.1 Ų27.131%0.30817%0.17SC..SBendtrans-67.4123.1174.9-58.40000111.9H333H333-S336 PolarHBondContact CE1-OG 2.7Å; H333-S336 WeakPolarHBondContact ND1-CB 3.44Å; H333-S336 PolarHBondContact ND1-N 3.04Å; H333-S336 PolarHBondContact ND1-OG 3.42Å
337Q86Confident90.8Very high67 Ų6727 Ų2731%0.31317%0.173SC..THydrogen-bonded Turntrans-63.9140.6-178.4-69174.929.500111.6S335 R339S335-Q337 PolarHBondContact O-N 3.36Å; Q337-R339 PolarHBondContact O-N 3.34Å
338N84.4Confident90.2Very high17 Ų1731.3 Ų31.39%0.09119%0.189CC..THydrogen-bonded Turntrans57.812.3171.9-68.5-5.3000115.5V355 E357N338-V355 HydrophobicContact CB-CB 4.13Å; N338-V355 VanDerWaalsContact CB-O 3.27Å; N338-V355 WeakPolarHBondContact CB-O 3.27Å; N338-V355 PolarHBondContact ND2-O 3.4Å; N338-V355 WeakPolarHBondContact O-CB 2.79Å; N338-V355 PolarHBondContact O-N 3.13Å; N338-E357 WeakPolarHBondContact ND2-CG 3.42Å; N338-E357 PolarHBondContact ND2-OE1 2.99Å
339R91.4Very high90Very high38 Ų3834.4 Ų34.414%0.14321%0.205CC..EExtended strand (participates in β ladder)trans-99.7139.2-178.8-172.8179.6175.9-157.79.1110.2H333 Q337 D352 F353H333-R339 HydrophobicContact CB-CB 3.95Å; H333-R339 HydrophobicContact CB-CG 4.22Å; H333-R339 WeakPolarHBondContact CB-O 3.4Å; H333-R339 PolarHBondContact CD2-NH1 2.95Å; H333-R339 PolarHBondContact N-O 3.46Å; H333-R339 PolarHBondContact NE2-NH1 3.5Å; Q337-R339 PolarHBondContact O-N 3.34Å; R339-D352 WeakPolarHBondContact CG-OD1 3.29Å; R339-D352 IonicContact CZ-OD1 3.95Å; R339-D352 IonicContact CZ-OD2 2.62Å; R339-D352 VanDerWaalsContact CZ-OD2 3.3Å; R339-D352 IonicContact NE-OD1 3.76Å; R339-D352 PolarHBondContact NE-OD1 2.91Å; R339-D352 IonicContact NE-OD2 3.77Å; R339-D352 PolarHBondContact NE-OD2 3.25Å; R339-D352 VanDerWaalsContact NE-OD2 3.09Å; R339-D352 IonicContact NH2-OD1 2.91Å; R339-D352 IonicContact NH2-OD2 2.92Å; R339-D352 PolarHBondContact NH2-OD2 2.97Å; R339-F353 WeakPolarHBondContact CA-O 3.15Å
340M94.3Very high89.9Confident0 Ų034.7 Ų34.70%021%0.206CC..EExtended strand (participates in β ladder)trans-141.5152.7174.464177.165.400110.7I295 A331 W332 V342 F353 V355I295-M340 HydrophobicContact CD1-SD 3.62Å; A331-M340 WeakPolarHBondContact O-CA 3.42Å; A331-M340 WeakPolarHBondContact O-CB 3.4Å; W332-M340 HydrophobicContact CD2-CE 4.09Å; W332-M340 HydrophobicContact CE3-CB 4.03Å; W332-M340 HydrophobicContact CE3-CE 3.71Å; W332-M340 HydrophobicContact CH2-CE 3.19Å; W332-M340 HydrophobicContact CZ2-CE 3.63Å; W332-M340 HydrophobicContact CZ3-CB 4.48Å; W332-M340 HydrophobicContact CZ3-CE 3.24Å; M340-V342 HydrophobicContact CG-CG2 4.09Å; M340-V342 HydrophobicContact SD-CG2 4.05Å; M340-F353 HydrophobicContact CG-CB 4.17Å; M340-F353 HydrophobicContact CG-CD1 4.08Å; M340-F353 PolarHBondContact N-O 3.17Å; M340-F353 PolarHBondContact O-N 3.35Å; M340-F353 HydrophobicContact SD-CD1 4.2Å; M340-V355 HydrophobicContact CE-CG2 3.61Å
341V95.4Very high89.8Confident0 Ų036 Ų360%022%0.215CC..EExtended strand (participates in β ladder)trans-106.1134.4168.6176.80000108.5I9 W11 I31 F330 A331 T351I9-V341 HydrophobicContact CD1-CB 3.94Å; I9-V341 HydrophobicContact CD1-CG1 3.69Å; W11-V341 HydrophobicContact CZ2-CG2 3.86Å; I31-V341 HydrophobicContact CD1-CG2 4Å; F330-V341 CarbonylContact C-O 3.54Å; F330-V341 WeakPolarHBondContact CA-O 3.37Å; A331-V341 PolarHBondContact N-O 3.01Å; A331-V341 PolarHBondContact O-N 3.29Å; V341-T351 WeakPolarHBondContact CA-O 3.24Å
342V95.2Very high89.7Confident1 Ų136.5 Ų36.51%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-119.8136.5-175.8-175.50000109I295 P322 I327 F330 M340 M350 T351I295-V342 HydrophobicContact CD1-CG2 4.07Å; P322-V342 HydrophobicContact CB-CB 4.25Å; P322-V342 HydrophobicContact CB-CG1 4.4Å; P322-V342 HydrophobicContact CB-CG2 3.74Å; P322-V342 HydrophobicContact CG-CG2 3.83Å; I327-V342 HydrophobicContact CB-CG1 4.12Å; I327-V342 HydrophobicContact CD1-CG1 3.78Å; I327-V342 HydrophobicContact CG1-CG1 3.61Å; I327-V342 HydrophobicContact CG2-CG1 3.42Å; I327-V342 VanDerWaalsContact CG2-CG1 3.42Å; F330-V342 HydrophobicContact CB-CG2 4.14Å; M340-V342 HydrophobicContact CG-CG2 4.09Å; M340-V342 HydrophobicContact SD-CG2 4.05Å; V342-M350 CarbonylContact O-C 3.58Å; V342-M350 VanDerWaalsContact O-CA 3.3Å; V342-M350 WeakPolarHBondContact O-CA 3.39Å; V342-T351 PolarHBondContact N-O 3.29Å; V342-T351 PolarHBondContact O-N 3.09Å
343V93.6Very high89.6Confident0 Ų038 Ų380%022%0.223CC..EExtended strand (participates in β ladder)trans-114.1124.9179.5-174.10000109.2P7 I9 I21 G328 S329 M350P7-V343 HydrophobicContact CB-CG1 4.15Å; P7-V343 HydrophobicContact CG-CG1 4.21Å; I9-V343 HydrophobicContact CB-CG2 4.13Å; I9-V343 HydrophobicContact CD1-CG2 4.07Å; I9-V343 HydrophobicContact CG2-CG2 4.25Å; I21-V343 HydrophobicContact CD1-CG2 3.96Å; I21-V343 HydrophobicContact CG1-CG2 4.4Å; G328-V343 PolarHBondContact N-O 3.46Å; S329-V343 PolarHBondContact N-O 3.29Å; S329-V343 PolarHBondContact O-N 3.47Å; V343-M350 HydrophobicContact CG2-CG 4.36Å
344S91.3Very high89.5Confident1 Ų140.5 Ų40.51%0.00724%0.239CC..EExtended strand (participates in β ladder)trans-68.2138175.8-173.90000111.9S325 Q326 N347 R348 V349S325-S344 WeakPolarHBondContact CB-OG 3.33Å; S325-S344 WeakPolarHBondContact OG-CB 3.5Å; S325-S344 PolarHBondContact OG-OG 3.03Å; Q326-S344 WeakPolarHBondContact O-CA 3.18Å; Q326-S344 PolarHBondContact O-OG 3.24Å; S344-N347 WeakPolarHBondContact CB-OD1 3.13Å; S344-N347 PolarHBondContact OG-OD1 3.3Å; S344-N347 VanDerWaalsContact OG-OD1 3.06Å; S344-R348 WeakPolarHBondContact O-CA 3.31Å; S344-R348 PolarHBondContact O-N 3.43Å; S344-V349 PolarHBondContact N-O 3.02Å
345A85.8Confident89.4Confident45 Ų4538.6 Ų38.637%0.37223%0.226SC..THydrogen-bonded Turntrans-69.9-29.9-18000000113.3Q326Q326-A345 HydrophobicContact CB-CB 4.37Å; Q326-A345 PolarHBondContact O-N 2.94Å
346A80.2Confident88.9Confident91 Ų9142.9 Ų42.975%0.75224%0.236SC*.THydrogen-bonded Turntrans-93.2-38.6-169.400000113.6
347N79.5Confident88.1Confident97 Ų9743 Ų4352%0.51923%0.232SC..THydrogen-bonded Turntrans-127.97.6-170.864.25000113.7S344 V349S344-N347 WeakPolarHBondContact CB-OD1 3.13Å; S344-N347 PolarHBondContact OG-OD1 3.3Å; S344-N347 VanDerWaalsContact OG-OD1 3.06Å; N347-V349 HydrophobicContact CB-CG2 4.27Å; N347-V349 WeakPolarHBondContact ND2-CG2 3.45Å; N347-V349 PolarHBondContact O-N 3.14Å; N347-V349 VanDerWaalsContact OD1-CB 3.3Å; N347-V349 WeakPolarHBondContact OD1-CB 3.44Å; N347-V349 VanDerWaalsContact OD1-CG2 3.31Å; N347-V349 WeakPolarHBondContact OD1-CG2 3.31Å; N347-V349 PolarHBondContact OD1-N 3.04Å; N347-V349 VanDerWaalsContact OD1-N 3.08Å
348R80.4Confident87.3Confident95 Ų9549.2 Ų49.236%0.35825%0.252SS..  trans54.419.2-176.9-58.2-177.2178.3175.54.2114.4D23 S24 E25 S344 M350D23-R348 VanDerWaalsContact CG-NH2 3.27Å; D23-R348 IonicContact OD2-CZ 2.81Å; D23-R348 IonicContact OD2-NE 3.96Å; D23-R348 PolarHBondContact OD2-NE 3.42Å; D23-R348 IonicContact OD2-NH2 3.71Å; D23-R348 PolarHBondContact OD2-NH2 3.35Å; S24-R348 PolarHBondContact OG-NH2 3.48Å; E25-R348 IonicContact OE1-NH1 3.28Å; E25-R348 PolarHBondContact OE1-NH1 2.87Å; S344-R348 WeakPolarHBondContact O-CA 3.31Å; S344-R348 PolarHBondContact O-N 3.43Å; R348-M350 PolarHBondContact O-N 3.15Å
349V87.7Confident86.6Confident73 Ų7352.2 Ų52.244%0.44227%0.267SS..  trans-65.8132.4174.9171.10000108.9S344 N347S344-V349 PolarHBondContact N-O 3.02Å; N347-V349 HydrophobicContact CB-CG2 4.27Å; N347-V349 WeakPolarHBondContact ND2-CG2 3.45Å; N347-V349 PolarHBondContact O-N 3.14Å; N347-V349 VanDerWaalsContact OD1-CB 3.3Å; N347-V349 WeakPolarHBondContact OD1-CB 3.44Å; N347-V349 VanDerWaalsContact OD1-CG2 3.31Å; N347-V349 WeakPolarHBondContact OD1-CG2 3.31Å; N347-V349 PolarHBondContact OD1-N 3.04Å; N347-V349 VanDerWaalsContact OD1-N 3.08Å
350M91.9Very high85.8Confident9 Ų955.1 Ų55.14%0.04429%0.294CS..EExtended strand (participates in β ladder)trans-98.3138.5177.8-63174.2-78.100109.4Y19 I21 Y29 L44 L46 A52 V342 V343 R348Y19-M350 HydrophobicContact CE2-SD 3.76Å; Y19-M350 PolarHBondContact OH-SD 3.49Å; I21-M350 HydrophobicContact CD1-CG 3.71Å; I21-M350 HydrophobicContact CD1-SD 3.36Å; I21-M350 WeakPolarHBondContact CD1-SD 3.49Å; Y29-M350 HydrophobicContact CD1-CE 3.95Å; Y29-M350 HydrophobicContact CD1-SD 4.39Å; Y29-M350 HydrophobicContact CE1-CE 3.78Å; Y29-M350 HydrophobicContact CE1-SD 4.49Å; Y29-M350 HydrophobicContact CG-SD 4.47Å; L44-M350 HydrophobicContact CB-CE 4.2Å; L44-M350 HydrophobicContact CD1-CE 3.39Å; L44-M350 HydrophobicContact CG-CE 4.42Å; L46-M350 HydrophobicContact CD2-CB 3.29Å; L46-M350 HydrophobicContact CD2-CE 4.32Å; L46-M350 HydrophobicContact CD2-CG 4.42Å; L46-M350 HydrophobicContact CD2-SD 4.37Å; A52-M350 HydrophobicContact CB-CE 3.85Å; A52-M350 HydrophobicContact CB-SD 4.36Å; V342-M350 CarbonylContact O-C 3.58Å; V342-M350 VanDerWaalsContact O-CA 3.3Å; V342-M350 WeakPolarHBondContact O-CA 3.39Å; V343-M350 HydrophobicContact CG2-CG 4.36Å; R348-M350 PolarHBondContact O-N 3.15Å
351T93.8Very high85.1Confident29 Ų2960.6 Ų60.618%0.17832%0.322CS..EExtended strand (participates in β ladder)trans-129.1129.1176.3-52.80000109V341 V342V341-T351 WeakPolarHBondContact CA-O 3.24Å; V342-T351 PolarHBondContact N-O 3.29Å; V342-T351 PolarHBondContact O-N 3.09Å
352D94.1Very high84.5Confident19 Ų1963.3 Ų63.310%0.10235%0.345CS..EExtended strand (participates in β ladder)trans-89.5121.8171.7-175.820.3000108.8I31 L46 T50 R339I31-D352 HydrophobicContact CD1-CB 4.45Å; L46-D352 HydrophobicContact CB-CB 3.7Å; L46-D352 HydrophobicContact CD1-CB 4.19Å; L46-D352 PolarHBondContact O-N 3.49Å; T50-D352 WeakPolarHBondContact CB-OD2 3.4Å; T50-D352 VanDerWaalsContact CG2-OD2 3.32Å; T50-D352 WeakPolarHBondContact CG2-OD2 3.32Å; T50-D352 WeakPolarHBondContact OG1-CB 3.32Å; T50-D352 PolarHBondContact OG1-OD2 3.48Å; R339-D352 WeakPolarHBondContact CG-OD1 3.29Å; R339-D352 IonicContact CZ-OD1 3.95Å; R339-D352 IonicContact CZ-OD2 2.62Å; R339-D352 VanDerWaalsContact CZ-OD2 3.3Å; R339-D352 IonicContact NE-OD1 3.76Å; R339-D352 PolarHBondContact NE-OD1 2.91Å; R339-D352 IonicContact NE-OD2 3.77Å; R339-D352 PolarHBondContact NE-OD2 3.25Å; R339-D352 VanDerWaalsContact NE-OD2 3.09Å; R339-D352 IonicContact NH2-OD1 2.91Å; R339-D352 IonicContact NH2-OD2 2.92Å; R339-D352 PolarHBondContact NH2-OD2 2.97Å
353F93.9Very high83.7Confident45 Ų4572.3 Ų72.320%0.19738%0.379CS..EExtended strand (participates in β ladder)trans-130.9130.9-169.9-178.3-101.3000111.7V320 P322 R339 M340 V355V320-F353 HydrophobicContact CB-CE1 3.76Å; V320-F353 HydrophobicContact CB-CZ 3.93Å; V320-F353 HydrophobicContact CG1-CE1 4.16Å; V320-F353 HydrophobicContact CG1-CZ 4.35Å; V320-F353 HydrophobicContact CG2-CE1 3.92Å; P322-F353 HydrophobicContact CB-CB 3.91Å; P322-F353 HydrophobicContact CB-CD1 4.15Å; P322-F353 HydrophobicContact CB-CD2 3.91Å; P322-F353 HydrophobicContact CB-CE2 4.5Å; P322-F353 HydrophobicContact CB-CG 3.71Å; P322-F353 HydrophobicContact CG-CB 4.48Å; P322-F353 HydrophobicContact CG-CD1 3.92Å; P322-F353 HydrophobicContact CG-CD2 4.44Å; P322-F353 HydrophobicContact CG-CE1 4.24Å; P322-F353 HydrophobicContact CG-CG 4.02Å; R339-F353 WeakPolarHBondContact CA-O 3.15Å; M340-F353 HydrophobicContact CG-CB 4.17Å; M340-F353 HydrophobicContact CG-CD1 4.08Å; M340-F353 PolarHBondContact N-O 3.17Å; M340-F353 PolarHBondContact O-N 3.35Å; M340-F353 HydrophobicContact SD-CD1 4.2Å; F353-V355 HydrophobicContact CD1-CG2 4.11Å; F353-V355 HydrophobicContact CE1-CG2 3.83Å
354T90.8Very high82.8Confident61 Ų6174.4 Ų74.437%0.37439%0.394SS..EExtended strand (participates in β ladder)trans-104.5121.1175.3-59.60000110.1F356T354-F356 HydrophobicContact CG2-CE1 4.46Å; T354-F356 HydrophobicContact CG2-CZ 4.37Å; T354-F356 WeakPolarHBondContact O-CD2 3.48Å; T354-F356 PolarHBondContact O-N 3.02Å
355V88.6Confident81.6Confident6 Ų677.3 Ų77.34%0.03641%0.414CS..  trans-76.3108.7173.7178.80000109.1L297 V320 W332 N338 M340 F353L297-V355 HydrophobicContact CD1-CB 4.46Å; L297-V355 HydrophobicContact CD1-CG1 3.47Å; L297-V355 VanDerWaalsContact CD1-CG1 3.47Å; L297-V355 HydrophobicContact CD1-CG2 4.09Å; V320-V355 HydrophobicContact CG1-CG1 4.39Å; W332-V355 HydrophobicContact CH2-CG2 3.98Å; W332-V355 HydrophobicContact CZ3-CG2 3.97Å; N338-V355 HydrophobicContact CB-CB 4.13Å; N338-V355 VanDerWaalsContact CB-O 3.27Å; N338-V355 WeakPolarHBondContact CB-O 3.27Å; N338-V355 PolarHBondContact ND2-O 3.4Å; N338-V355 WeakPolarHBondContact O-CB 2.79Å; N338-V355 PolarHBondContact O-N 3.13Å; M340-V355 HydrophobicContact CE-CG2 3.61Å; F353-V355 HydrophobicContact CD1-CG2 4.11Å; F353-V355 HydrophobicContact CE1-CG2 3.83Å
356F80.7Confident80.7Confident163 Ų16378.1 Ų78.172%0.71542%0.415SS*.  trans-79.8130.3176-69.1-79.5000112.4R318 T354R318-F356 PolarHBondContact NH2-O 2.92Å; T354-F356 HydrophobicContact CG2-CE1 4.46Å; T354-F356 HydrophobicContact CG2-CZ 4.37Å; T354-F356 WeakPolarHBondContact O-CD2 3.48Å; T354-F356 PolarHBondContact O-N 3.02Å
357E70.9Confident80.3Confident46 Ų4674.9 Ų74.922%0.21539%0.388CS..  trans-75.3160.5172.6-62.6-56.6155.100111.8R281 R318 N338 I359R281-E357 IonicContact CZ-OE1 3.89Å; R281-E357 IonicContact CZ-OE2 2.73Å; R281-E357 IonicContact NH1-OE1 2.72Å; R281-E357 PolarHBondContact NH1-OE1 3.16Å; R281-E357 IonicContact NH1-OE2 3.41Å; R281-E357 PolarHBondContact NH1-OE2 3.13Å; R318-E357 IonicContact NH1-OE2 3.05Å; R318-E357 PolarHBondContact NH1-OE2 3.32Å; N338-E357 WeakPolarHBondContact ND2-CG 3.42Å; N338-E357 PolarHBondContact ND2-OE1 2.99Å; E357-I359 PolarHBondContact O-N 3.13Å
358R69Low80.1Confident197 Ų19771.4 Ų71.474%0.74337%0.371SS*.  trans-73.3109.9162.7-81.7172.2-173.6-179.63.4106.9S360R358-S360 PolarHBondContact O-N 3.06Å
359I70.6Confident80.2Confident80 Ų8068.6 Ų68.641%0.4136%0.363SS..PPolyproline II helixtrans-77117.6176.3-60.6174000107.9E357 L361 W371E357-I359 PolarHBondContact O-N 3.13Å; I359-L361 HydrophobicContact CG2-CD2 4.37Å; I359-L361 HydrophobicContact CG2-CG 4.31Å; I359-W371 HydrophobicContact CG2-CB 3.66Å; I359-W371 HydrophobicContact CG2-CG 3.86Å
360S74Confident80Confident100 Ų10068 Ų6870%0.69936%0.356SS*.PPolyproline II helixtrans-82.6117168.1-62.10000108.7R358R358-S360 PolarHBondContact O-N 3.06Å
361L80.8Confident79.8Confident114 Ų11470.8 Ų70.860%0.59737%0.366SS*.EExtended strand (participates in β ladder)trans-94.5133.3175.5-68.5157.5000109.1I359 L369 W371I359-L361 HydrophobicContact CG2-CD2 4.37Å; I359-L361 HydrophobicContact CG2-CG 4.31Å; L361-L369 HydrophobicContact CB-CD1 4.16Å; L361-L369 HydrophobicContact CD2-CD1 3.68Å; L361-L369 HydrophobicContact CD2-CD2 4.38Å; L361-L369 HydrophobicContact CD2-CG 4.38Å; L361-W371 HydrophobicContact CD2-CB 3.59Å; L361-W371 HydrophobicContact CD2-CD2 4.22Å; L361-W371 HydrophobicContact CD2-CE3 4.35Å; L361-W371 HydrophobicContact CD2-CG 3.95Å; L361-W371 HydrophobicContact CG-CB 4.38Å
362A80.9Confident79Confident58 Ų5872 Ų7248%0.47938%0.379SS..EExtended strand (participates in β ladder)trans-116.7120.3170.200000109M370A362-M370 HydrophobicContact CB-CB 4.43Å; A362-M370 PolarHBondContact N-O 3.49Å; A362-M370 PolarHBondContact O-N 2.92Å
363W79.1Confident77.9Confident189 Ų18973.5 Ų73.572%0.71639%0.39SS*.EExtended strand (participates in β ladder)trans-99.8131173.2-98.871000109.9L369W363-L369 HydrophobicContact CG-CD1 4.17Å; W363-L369 VanDerWaalsContact NE1-CD1 3.27Å
364S74.8Confident76.6Confident45 Ų4573.6 Ų73.632%0.31540%0.404SS..  trans-80.6153.9169.7178.80000110.7T366 A367 S368S364-T366 PolarHBondContact O-N 3.09Å; S364-T366 VanDerWaalsContact O-N 3.16Å; S364-T366 PolarHBondContact OG-N 2.9Å; S364-T366 PolarHBondContact OG-OG1 3.24Å; S364-A367 PolarHBondContact O-N 3.48Å; S364-S368 WeakPolarHBondContact CB-O 3.17Å; S364-S368 WeakPolarHBondContact CB-OG 3.48Å; S364-S368 PolarHBondContact N-O 2.96Å
365S65.8Low75.5Confident61 Ų6179.3 Ų79.343%0.42742%0.419SS..THydrogen-bonded Turntrans-67.8-6.117059.20000113.7A712 W713S365-A712 WeakPolarHBondContact CB-O 3.12Å; S365-A712 PolarHBondContact OG-O 2.93Å; S365-A712 VanDerWaalsContact OG-O 3.05Å; S365-W713 PolarHBondContact O-NE1 3.48Å
366T67.8Low74.5Confident63 Ų6384.4 Ų84.439%0.38744%0.442SS..THydrogen-bonded Turntrans-112.827.9-179.265.50000113.2S364 S368S364-T366 PolarHBondContact O-N 3.09Å; S364-T366 VanDerWaalsContact O-N 3.16Å; S364-T366 PolarHBondContact OG-N 2.9Å; S364-T366 PolarHBondContact OG-OG1 3.24Å; T366-S368 PolarHBondContact O-N 3.44Å
367A70.9Confident74.5Confident23 Ų2382.6 Ų82.619%0.1944%0.439CS..SBendtrans63.930.6178.300000115.5S364S364-A367 PolarHBondContact O-N 3.48Å
368S75.3Confident75Confident23 Ų2385.3 Ų85.316%0.16145%0.448CS..EExtended strand (participates in β ladder)trans-103.4135.2166.262.80000111.4S364 T366 C380S364-S368 WeakPolarHBondContact CB-O 3.17Å; S364-S368 WeakPolarHBondContact CB-OG 3.48Å; S364-S368 PolarHBondContact N-O 2.96Å; T366-S368 PolarHBondContact O-N 3.44Å; S368-C380 CarbonylContact C-O 3.57Å; S368-C380 WeakPolarHBondContact CA-O 3.34Å
369L82.8Confident75.7Confident36 Ų3679.7 Ų79.719%0.18844%0.439CS..EExtended strand (participates in β ladder)trans-113.2125.5177.3170.357.4000109.1L361 W363 W371 S379 C380L361-L369 HydrophobicContact CB-CD1 4.16Å; L361-L369 HydrophobicContact CD2-CD1 3.68Å; L361-L369 HydrophobicContact CD2-CD2 4.38Å; L361-L369 HydrophobicContact CD2-CG 4.38Å; W363-L369 HydrophobicContact CG-CD1 4.17Å; W363-L369 VanDerWaalsContact NE1-CD1 3.27Å; L369-W371 HydrophobicContact CD2-CE3 4.31Å; L369-W371 HydrophobicContact CD2-CZ3 4.2Å; L369-W371 HydrophobicContact CG-CE3 3.9Å; L369-W371 HydrophobicContact CG-CZ3 4.05Å; L369-S379 CarbonylContact O-C 3.54Å; L369-S379 WeakPolarHBondContact O-CA 3.19Å; L369-C380 HydrophobicContact CB-CB 4.3Å; L369-C380 PolarHBondContact N-O 3.37Å; L369-C380 PolarHBondContact O-N 3.45Å
370M83.7Confident76.1Confident62 Ų6279.1 Ų79.131%0.30544%0.442SS..EExtended strand (participates in β ladder)trans-121.4138179-59-68.2-62.400109.3A362 L377 Y378 S379A362-M370 HydrophobicContact CB-CB 4.43Å; A362-M370 PolarHBondContact N-O 3.49Å; A362-M370 PolarHBondContact O-N 2.92Å; M370-L377 HydrophobicContact CE-CD1 4.23Å; M370-L377 HydrophobicContact CE-CD2 3.74Å; M370-L377 HydrophobicContact CE-CG 3.87Å; M370-Y378 WeakPolarHBondContact CA-O 3.31Å; M370-S379 VanDerWaalsContact SD-CA 3.59Å; M370-S379 WeakPolarHBondContact SD-CB 3.36Å
371W86.9Confident76.1Confident67 Ų6778.5 Ų78.525%0.25443%0.433SS..EExtended strand (participates in β ladder)trans-149.8150.5169.669.999.8000112.1I359 L361 L369 Y378 C380I359-W371 HydrophobicContact CG2-CB 3.66Å; I359-W371 HydrophobicContact CG2-CG 3.86Å; L361-W371 HydrophobicContact CD2-CB 3.59Å; L361-W371 HydrophobicContact CD2-CD2 4.22Å; L361-W371 HydrophobicContact CD2-CE3 4.35Å; L361-W371 HydrophobicContact CD2-CG 3.95Å; L361-W371 HydrophobicContact CG-CB 4.38Å; L369-W371 HydrophobicContact CD2-CE3 4.31Å; L369-W371 HydrophobicContact CD2-CZ3 4.2Å; L369-W371 HydrophobicContact CG-CE3 3.9Å; L369-W371 HydrophobicContact CG-CZ3 4.05Å; W371-Y378 HydrophobicContact CD2-CG 4.45Å; W371-Y378 AromaticContact CE2-CG 3.74Å; W371-Y378 HydrophobicContact CZ2-CD1 4.18Å; W371-Y378 AromaticContact CZ2-CG 3.79Å; W371-Y378 HydrophobicContact CZ2-CG 3.79Å; W371-Y378 PolarHBondContact N-O 3.26Å; W371-Y378 AromaticContact NE1-CD2 3.59Å; W371-Y378 AromaticContact NE1-CG 3.75Å; W371-Y378 PolarHBondContact O-N 2.81Å; W371-C380 HydrophobicContact CZ3-CB 4.11Å
372A77.9Confident75.4Confident55 Ų5577.6 Ų77.646%0.45543%0.426SS..EExtended strand (participates in β ladder)trans-100134.8172.900000109.8H376 L377A372-H376 WeakPolarHBondContact CA-O 3.18Å; A372-L377 HydrophobicContact CB-CD1 4.41Å
373C70.2Confident74.3Confident49 Ų4981.8 Ų81.833%0.33144%0.44SS..EExtended strand (participates in β ladder)trans-135113.1169.3178.60000109R375 H376 Y378C373-R375 PolarHBondContact O-N 3.3Å; C373-H376 PolarHBondContact N-O 3.44Å; C373-H376 PolarHBondContact O-N 3.15Å; C373-H376 VanDerWaalsContact O-N 3.09Å; C373-Y378 HydrophobicContact CB-CD2 4.21Å; C373-Y378 HydrophobicContact CB-CE2 3.83Å
374G67.3Low73.1Confident47 Ų4781.8 Ų81.849%0.48545%0.448SS..THydrogen-bonded Turntrans61.5-124.5-171.900000111.6
375R67.6Low71.7Confident181 Ų18182.8 Ų82.868%0.68346%0.459SS*.THydrogen-bonded Turntrans-91.33.5175.5-61.6-175.1-169179.12.4114T280 C373T280-R375 PolarHBondContact O-NH2 3.3Å; T280-R375 VanDerWaalsContact O-NH2 3.08Å; C373-R375 PolarHBondContact O-N 3.3Å
376H68.5Low70.8Confident113 Ų11389.4 Ų89.452%0.52348%0.484SS..EExtended strand (participates in β ladder)trans-104136-176.8-60.3-74.3000110.6A372 C373 Y378A372-H376 WeakPolarHBondContact CA-O 3.18Å; C373-H376 PolarHBondContact N-O 3.44Å; C373-H376 PolarHBondContact O-N 3.15Å; C373-H376 VanDerWaalsContact O-N 3.09Å; H376-Y378 HydrophobicContact CB-CD2 4.22Å; H376-Y378 HydrophobicContact CB-CE2 3.49Å; H376-Y378 VanDerWaalsContact CB-CE2 3.49Å
377L79.5Confident69.8Low126 Ų12690.3 Ų90.366%0.6651%0.505SS*.EExtended strand (participates in β ladder)trans-102.8120.4167.9-176.369.2000107.4M370 A372M370-L377 HydrophobicContact CE-CD1 4.23Å; M370-L377 HydrophobicContact CE-CD2 3.74Å; M370-L377 HydrophobicContact CE-CG 3.87Å; A372-L377 HydrophobicContact CB-CD1 4.41Å
378Y81.3Confident68.3Low102 Ų10295 Ų9540%0.453%0.532SS..EExtended strand (participates in β ladder)trans-100.9140.3176.6-64.7-91.1000109.2M370 W371 C373 H376M370-Y378 WeakPolarHBondContact CA-O 3.31Å; W371-Y378 HydrophobicContact CD2-CG 4.45Å; W371-Y378 AromaticContact CE2-CG 3.74Å; W371-Y378 HydrophobicContact CZ2-CD1 4.18Å; W371-Y378 AromaticContact CZ2-CG 3.79Å; W371-Y378 HydrophobicContact CZ2-CG 3.79Å; W371-Y378 PolarHBondContact N-O 3.26Å; W371-Y378 AromaticContact NE1-CD2 3.59Å; W371-Y378 AromaticContact NE1-CG 3.75Å; W371-Y378 PolarHBondContact O-N 2.81Å; C373-Y378 HydrophobicContact CB-CD2 4.21Å; C373-Y378 HydrophobicContact CB-CE2 3.83Å; H376-Y378 HydrophobicContact CB-CD2 4.22Å; H376-Y378 HydrophobicContact CB-CE2 3.49Å; H376-Y378 VanDerWaalsContact CB-CE2 3.49Å
379S84.2Confident66.8Low79 Ų79102.6 Ų102.655%0.55257%0.571SS**EExtended strand (participates in β ladder)trans-130.512817660.90000109.2L369 M370L369-S379 CarbonylContact O-C 3.54Å; L369-S379 WeakPolarHBondContact O-CA 3.19Å; M370-S379 VanDerWaalsContact SD-CA 3.59Å; M370-S379 WeakPolarHBondContact SD-CB 3.36Å
380C78.5Confident64.8Low69 Ų69103.6 Ų103.647%0.46659%0.589SS.*EExtended strand (participates in β ladder)trans-114121.1167.1-175.60000107.2S368 L369 W371S368-C380 CarbonylContact C-O 3.57Å; S368-C380 WeakPolarHBondContact CA-O 3.34Å; L369-C380 HydrophobicContact CB-CB 4.3Å; L369-C380 PolarHBondContact N-O 3.37Å; L369-C380 PolarHBondContact O-N 3.45Å; W371-C380 HydrophobicContact CZ3-CB 4.11Å
381V75Confident63.1Low86 Ų86105.6 Ų105.652%0.52162%0.616SS.*EExtended strand (participates in β ladder)trans-122.8137.4174.3-173.40000105.6D383V381-D383 PolarHBondContact O-N 2.93Å
382E65.2Low61.6Low96 Ų96106.7 Ų106.745%0.44964%0.639SS.*  trans-59.3111.4165.8-77.9-169.2143.600107.8E384 D395 T398E382-E384 PolarHBondContact O-N 3.45Å; E382-D395 WeakPolarHBondContact OE1-CB 3.36Å; E382-T398 PolarHBondContact OE2-OG1 3.1Å
383D57.8Low61Low146 Ų146112 Ų11278%0.78165%0.654SS**  trans-65.9120.3176.7-92.8-27.4000109.1V381 A385V381-D383 PolarHBondContact O-N 2.93Å; D383-A385 HydrophobicContact CB-CB 4.08Å; D383-A385 PolarHBondContact O-N 2.91Å
384E53.4Low61.1Low189 Ų189114.8 Ų114.888%0.88366%0.661SS**  trans-71.844.4160.9-65.3-171.2167.400110.1E382 E386E382-E384 PolarHBondContact O-N 3.45Å; E384-E386 PolarHBondContact O-N 3.48Å
385A45.4Very low61.9Low66 Ų66115.8 Ų115.855%0.54566%0.655SS.*  trans-68.196.5-177.900000109.7D383 G387D383-A385 HydrophobicContact CB-CB 4.08Å; D383-A385 PolarHBondContact O-N 2.91Å; A385-G387 PolarHBondContact O-N 3.5Å
386E48.3Very low62.9Low200 Ų200109 Ų10994%0.93563%0.632SS**THydrogen-bonded Turntrans-45.6118.6162.4-68.6-178.4147.400109.9E384E384-E386 PolarHBondContact O-N 3.48Å
387G45.2Very low63.7Low82 Ų82105 Ų10585%0.84562%0.619SS**THydrogen-bonded Turntrans103.423.5152.600000119.1A385A385-G387 PolarHBondContact O-N 3.5Å
388T41.2Very low64.1Low121 Ų121100.7 Ų100.774%0.74260%0.598SS**  trans-111.1117156.944.90000110.4G390T388-G390 PolarHBondContact O-N 3.33Å
389D42.3Very low64.4Low183 Ų18398.3 Ų98.398%0.97959%0.589SS**  trans-60.217.7179.3-108.2-20.5000114.9
390G41.9Very low64.8Low56 Ų5694.8 Ų94.858%0.57756%0.564SS**  trans-89.3100.4166.300000108.6T388 A392T388-G390 PolarHBondContact O-N 3.33Å; G390-A392 PolarHBondContact O-N 3.2Å
391A46.9Very low65.4Low105 Ų10595.4 Ų95.487%0.86856%0.557SS**  trans-60.174.4172.400000111.5E393A391-E393 PolarHBondContact O-N 3.43Å; A391-E393 VanDerWaalsContact O-N 3.12Å
392A54.9Low66.1Low89 Ų8994.9 Ų94.974%0.73655%0.549SS*.  trans-61.3114.6161.400000105.9G390 K394G390-A392 PolarHBondContact O-N 3.2Å; A392-K394 PolarHBondContact O-N 3.45Å
393E65.7Low67.4Low166 Ų16691.1 Ų91.178%0.77653%0.53SS*.  trans-60.8110.5-177.8-171.3175.3-174.900108.6A391 D395 K399A391-E393 PolarHBondContact O-N 3.43Å; A391-E393 VanDerWaalsContact O-N 3.12Å; E393-D395 PolarHBondContact O-N 2.9Å; E393-K399 IonicContact OE1-NZ 3.75Å; E393-K399 PolarHBondContact OE1-NZ 3.45Å
394K73.9Confident69.1Low108 Ų10884.2 Ų84.247%0.4749%0.494SS..  trans-51.9137.1178.1-70.7-173.4175.1-172.80110.2A392 K399 E402A392-K394 PolarHBondContact O-N 3.45Å; K394-K399 HydrophobicContact CB-CG 4.12Å; K394-K399 WeakPolarHBondContact O-CE 3.12Å; K394-K399 PolarHBondContact O-NZ 2.78Å; K394-E402 IonicContact NZ-OE1 2.97Å; K394-E402 PolarHBondContact NZ-OE1 3.03Å; K394-E402 IonicContact NZ-OE2 3.23Å; K394-E402 PolarHBondContact NZ-OE2 3.26Å
395D83.4Confident70.9Confident69 Ų6980.5 Ų80.537%0.36948%0.476SS..  trans-53.7143.4174.3-175.8-87.3000111.4E382 E393 A397 T398 K399E382-D395 WeakPolarHBondContact OE1-CB 3.36Å; E393-D395 PolarHBondContact O-N 2.9Å; D395-A397 VanDerWaalsContact C-N 3.27Å; D395-A397 PolarHBondContact O-N 3.13Å; D395-A397 WeakPolarHBondContact OD1-CA 3.47Å; D395-A397 WeakPolarHBondContact OD1-CB 3.32Å; D395-A397 PolarHBondContact OD1-N 3.4Å; D395-T398 WeakPolarHBondContact O-CB 3.08Å; D395-T398 PolarHBondContact O-N 3.46Å; D395-T398 VanDerWaalsContact O-N 3.16Å; D395-K399 PolarHBondContact O-N 3.12Å
396I88Confident73.1Confident37 Ų3780.4 Ų80.419%0.1947%0.472CS..Hα-helixtrans-63.1-32.8-176.5-171.256.7000112.4T398 K399 M400 T675 D677I396-T398 VanDerWaalsContact C-N 3.32Å; I396-T398 PolarHBondContact O-N 3.49Å; I396-K399 HydrophobicContact CD1-CB 4.24Å; I396-K399 HydrophobicContact CD1-CD 4.29Å; I396-K399 PolarHBondContact O-N 3.05Å; I396-M400 HydrophobicContact CD1-CG 4.33Å; I396-M400 HydrophobicContact CG1-CE 4.21Å; I396-M400 HydrophobicContact CG1-CG 4.24Å; I396-M400 HydrophobicContact CG2-CE 4.44Å; I396-M400 WeakPolarHBondContact O-CB 3.35Å; I396-M400 VanDerWaalsContact O-CG 3.31Å; I396-M400 WeakPolarHBondContact O-CG 3.34Å; I396-M400 PolarHBondContact O-N 3.14Å; I396-T675 WeakPolarHBondContact CB-O 3.43Å; I396-T675 WeakPolarHBondContact CG1-O 3.42Å; I396-T675 VanDerWaalsContact CG2-O 3.28Å; I396-T675 WeakPolarHBondContact CG2-O 3.33Å; I396-D677 HydrophobicContact CD1-CB 3.78Å; I396-D677 HydrophobicContact CG1-CB 3.94Å
397A86.4Confident75.1Confident31 Ų3177.4 Ų77.426%0.25645%0.452SS..Hα-helixtrans-64.1-40.9176.800000110.6D395 M400 R401 W713D395-A397 VanDerWaalsContact C-N 3.27Å; D395-A397 PolarHBondContact O-N 3.13Å; D395-A397 WeakPolarHBondContact OD1-CA 3.47Å; D395-A397 WeakPolarHBondContact OD1-CB 3.32Å; D395-A397 PolarHBondContact OD1-N 3.4Å; A397-M400 PolarHBondContact O-N 3.21Å; A397-R401 WeakPolarHBondContact O-CB 3.28Å; A397-R401 PolarHBondContact O-N 3.39Å; A397-W713 HydrophobicContact CB-CZ2 4.24Å; A397-W713 WeakPolarHBondContact O-CZ2 3.23Å
398T86.1Confident77.4Confident34 Ų3473.5 Ų73.521%0.20941%0.411CS..Hα-helixtrans-63.3-47.9174.2-56.90000110.6E382 D395 I396 M400 R401 E402E382-T398 PolarHBondContact OE2-OG1 3.1Å; D395-T398 WeakPolarHBondContact O-CB 3.08Å; D395-T398 PolarHBondContact O-N 3.46Å; D395-T398 VanDerWaalsContact O-N 3.16Å; I396-T398 VanDerWaalsContact C-N 3.32Å; I396-T398 PolarHBondContact O-N 3.49Å; T398-M400 PolarHBondContact O-N 3.06Å; T398-R401 PolarHBondContact O-N 3.07Å; T398-E402 WeakPolarHBondContact O-CG 3.21Å; T398-E402 PolarHBondContact O-N 2.69Å
399K89.3Confident79.7Confident52 Ų5267.7 Ų67.723%0.22638%0.376CS..Hα-helixtrans-57.6-46.7174.4-70.1173.1177.3162.50112.1E393 K394 D395 I396 R401 E402 R403E393-K399 IonicContact OE1-NZ 3.75Å; E393-K399 PolarHBondContact OE1-NZ 3.45Å; K394-K399 HydrophobicContact CB-CG 4.12Å; K394-K399 WeakPolarHBondContact O-CE 3.12Å; K394-K399 PolarHBondContact O-NZ 2.78Å; D395-K399 PolarHBondContact O-N 3.12Å; I396-K399 HydrophobicContact CD1-CB 4.24Å; I396-K399 HydrophobicContact CD1-CD 4.29Å; I396-K399 PolarHBondContact O-N 3.05Å; K399-R401 VanDerWaalsContact C-N 3.32Å; K399-R401 PolarHBondContact O-N 3.17Å; K399-E402 PolarHBondContact O-N 3.05Å; K399-R403 VanDerWaalsContact O-CB 3.31Å; K399-R403 WeakPolarHBondContact O-CB 3.35Å; K399-R403 WeakPolarHBondContact O-CD 3.3Å; K399-R403 WeakPolarHBondContact O-CG 3.22Å; K399-R403 PolarHBondContact O-N 2.69Å
400M92.4Very high81.7Confident5 Ų560.9 Ų60.93%0.02534%0.338CS..Hα-helixtrans-63.1-38179.3-76.4-169.7-68.900112.3I396 A397 T398 A404 V678 Q679 L709 W713I396-M400 HydrophobicContact CD1-CG 4.33Å; I396-M400 HydrophobicContact CG1-CE 4.21Å; I396-M400 HydrophobicContact CG1-CG 4.24Å; I396-M400 HydrophobicContact CG2-CE 4.44Å; I396-M400 WeakPolarHBondContact O-CB 3.35Å; I396-M400 VanDerWaalsContact O-CG 3.31Å; I396-M400 WeakPolarHBondContact O-CG 3.34Å; I396-M400 PolarHBondContact O-N 3.14Å; A397-M400 PolarHBondContact O-N 3.21Å; T398-M400 PolarHBondContact O-N 3.06Å; M400-A404 WeakPolarHBondContact O-CB 3.12Å; M400-A404 PolarHBondContact O-N 2.91Å; M400-V678 HydrophobicContact CE-CG2 4.33Å; M400-V678 HydrophobicContact SD-CG2 3.92Å; M400-Q679 HydrophobicContact CB-CB 4.34Å; M400-Q679 HydrophobicContact CG-CB 3.76Å; M400-Q679 PolarHBondContact O-NE2 2.78Å; M400-Q679 PolarHBondContact O-OE1 3.46Å; M400-Q679 HydrophobicContact SD-CB 3.63Å; M400-L709 HydrophobicContact CE-CD1 3.93Å; M400-W713 HydrophobicContact CB-CH2 3.81Å; M400-W713 HydrophobicContact CB-CZ3 4.4Å
401R90.1Very high83.7Confident83 Ų8359.8 Ų59.831%0.31332%0.319SS..Hα-helixtrans-66-47.4177-172.4179.4177.8-152.9-2.2111.7A397 T398 K399 A404 Q405 W713 F715A397-R401 WeakPolarHBondContact O-CB 3.28Å; A397-R401 PolarHBondContact O-N 3.39Å; T398-R401 PolarHBondContact O-N 3.07Å; K399-R401 VanDerWaalsContact C-N 3.32Å; K399-R401 PolarHBondContact O-N 3.17Å; R401-A404 PolarHBondContact O-N 3.25Å; R401-Q405 PolarHBondContact O-N 3.02Å; R401-W713 HydrophobicContact CB-CD2 4.16Å; R401-W713 HydrophobicContact CB-CE3 4.08Å; R401-W713 HydrophobicContact CB-CH2 4.05Å; R401-W713 HydrophobicContact CB-CZ2 4.12Å; R401-W713 HydrophobicContact CB-CZ3 4.03Å; R401-W713 HydrophobicContact CG-CD2 4.01Å; R401-W713 HydrophobicContact CG-CE3 4.11Å; R401-W713 HydrophobicContact CG-CG 4.33Å; R401-F715 HydrophobicContact CG-CE2 3.78Å; R401-F715 HydrophobicContact CG-CZ 3.92Å
402E90.3Very high85.3Confident75 Ų7557.8 Ų57.835%0.3530%0.296SS..Hα-helixtrans-59.2-46.3174.5-71.3176.3-179.200111K394 T398 K399 A404 Q405 S406K394-E402 IonicContact NZ-OE1 2.97Å; K394-E402 PolarHBondContact NZ-OE1 3.03Å; K394-E402 IonicContact NZ-OE2 3.23Å; K394-E402 PolarHBondContact NZ-OE2 3.26Å; T398-E402 WeakPolarHBondContact O-CG 3.21Å; T398-E402 PolarHBondContact O-N 2.69Å; K399-E402 PolarHBondContact O-N 3.05Å; E402-A404 VanDerWaalsContact C-N 3.33Å; E402-A404 PolarHBondContact O-N 3.47Å; E402-Q405 WeakPolarHBondContact O-CB 3.46Å; E402-Q405 PolarHBondContact O-N 3.06Å; E402-Q405 VanDerWaalsContact O-N 3.16Å; E402-S406 PolarHBondContact O-N 2.8Å; E402-S406 VanDerWaalsContact O-N 3.07Å; E402-S406 PolarHBondContact O-OG 3.39Å
403R93.3Very high86.5Confident17 Ų1758.9 Ų58.96%0.06429%0.294CS..Hα-helixtrans-57.4-42.6175.3-75.9171.2-171.9178.42112.3K399 Q405 S406 R407 Y408 L429 D677 Q679K399-R403 VanDerWaalsContact O-CB 3.31Å; K399-R403 WeakPolarHBondContact O-CB 3.35Å; K399-R403 WeakPolarHBondContact O-CD 3.3Å; K399-R403 WeakPolarHBondContact O-CG 3.22Å; K399-R403 PolarHBondContact O-N 2.69Å; R403-Q405 VanDerWaalsContact C-N 3.32Å; R403-Q405 PolarHBondContact O-N 2.87Å; R403-S406 CarbonylContact O-C 3.31Å; R403-S406 PolarHBondContact O-N 3.36Å; R403-R407 PolarHBondContact O-N 3.03Å; R403-Y408 HydrophobicContact CB-CD1 4.02Å; R403-Y408 HydrophobicContact CB-CG 4.03Å; R403-Y408 HydrophobicContact CG-CD1 4.39Å; R403-Y408 HydrophobicContact CG-CG 4.3Å; R403-Y408 WeakPolarHBondContact O-CB 3.32Å; R403-Y408 PolarHBondContact O-N 3.36Å; R403-L429 VanDerWaalsContact NH2-CD1 3.32Å; R403-D677 IonicContact NH1-OD1 3.66Å; R403-D677 IonicContact NH1-OD2 3.91Å; R403-D677 PolarHBondContact NH1-OD2 3.19Å; R403-Q679 VanDerWaalsContact CD-OE1 3.29Å
404A92.8Very high87.4Confident1 Ų155.2 Ų55.21%0.00828%0.276CS..Hα-helixtrans-63.4-37.7178.500000112M400 R401 E402 R407 L710 F715 K718M400-A404 WeakPolarHBondContact O-CB 3.12Å; M400-A404 PolarHBondContact O-N 2.91Å; R401-A404 PolarHBondContact O-N 3.25Å; E402-A404 VanDerWaalsContact C-N 3.33Å; E402-A404 PolarHBondContact O-N 3.47Å; A404-R407 PolarHBondContact O-N 2.8Å; A404-L710 HydrophobicContact CB-CD2 3.98Å; A404-F715 HydrophobicContact CB-CD2 4.16Å; A404-F715 HydrophobicContact CB-CE2 4.31Å; A404-K718 WeakPolarHBondContact O-CE 3.09Å; A404-K718 PolarHBondContact O-NZ 3.4Å
405Q91.1Very high88.1Confident110 Ų11050.1 Ų50.151%0.51425%0.254SS..Hα-helixtrans-63.7-45.4173.9-68.2175.1-36.200111.1R401 E402 R403 R407 F715 K718R401-Q405 PolarHBondContact O-N 3.02Å; E402-Q405 WeakPolarHBondContact O-CB 3.46Å; E402-Q405 PolarHBondContact O-N 3.06Å; E402-Q405 VanDerWaalsContact O-N 3.16Å; R403-Q405 VanDerWaalsContact C-N 3.32Å; R403-Q405 PolarHBondContact O-N 2.87Å; Q405-R407 PolarHBondContact O-N 3.4Å; Q405-F715 HydrophobicContact CG-CE2 3.64Å; Q405-F715 HydrophobicContact CG-CZ 3.62Å; Q405-K718 PolarHBondContact O-NZ 2.7Å
406S91.8Very high88.3Confident65 Ų6550.5 Ų50.546%0.45525%0.251SS..THydrogen-bonded Turntrans-67.84.2174.5-62.60000115.2E402 R403 Y408 L421E402-S406 PolarHBondContact O-N 2.8Å; E402-S406 VanDerWaalsContact O-N 3.07Å; E402-S406 PolarHBondContact O-OG 3.39Å; R403-S406 CarbonylContact O-C 3.31Å; R403-S406 PolarHBondContact O-N 3.36Å; S406-Y408 PolarHBondContact O-N 3.03Å; S406-L421 WeakPolarHBondContact CB-O 3.31Å
407R90.3Very high88.5Confident136 Ų13654.5 Ų54.551%0.51326%0.263SS..THydrogen-bonded Turntrans59.128.4-178-56.7178.9174.7-117.1-2.5113.2R403 A404 Q405 G409 H410 E721R403-R407 PolarHBondContact O-N 3.03Å; A404-R407 PolarHBondContact O-N 2.8Å; Q405-R407 PolarHBondContact O-N 3.4Å; R407-G409 PolarHBondContact O-N 2.68Å; R407-H410 HydrophobicContact CB-CB 4.47Å; R407-H410 WeakPolarHBondContact O-CB 3.31Å; R407-H410 PolarHBondContact O-N 2.84Å; R407-H410 VanDerWaalsContact O-N 3.14Å; R407-E721 IonicContact CZ-OE1 3.64Å; R407-E721 IonicContact NH1-OE1 3.2Å; R407-E721 PolarHBondContact NH1-OE1 2.84Å; R407-E721 VanDerWaalsContact NH1-OE1 3.12Å; R407-E721 IonicContact NH1-OE2 2.66Å; R407-E721 IonicContact NH2-OE1 2.95Å
408Y93.4Very high88.7Confident0 Ų053 Ų530%025%0.251CS..THydrogen-bonded Turntrans-50.8137.3172.3173.9-110.8000111.2R403 S406 H410 N418 L421 A422 W433 Q679 T680 F683R403-Y408 HydrophobicContact CB-CD1 4.02Å; R403-Y408 HydrophobicContact CB-CG 4.03Å; R403-Y408 HydrophobicContact CG-CD1 4.39Å; R403-Y408 HydrophobicContact CG-CG 4.3Å; R403-Y408 WeakPolarHBondContact O-CB 3.32Å; R403-Y408 PolarHBondContact O-N 3.36Å; S406-Y408 PolarHBondContact O-N 3.03Å; Y408-H410 VanDerWaalsContact C-N 3.26Å; Y408-H410 PolarHBondContact O-CD2 3.02Å; Y408-H410 PolarHBondContact O-N 2.8Å; Y408-N418 HydrophobicContact CD2-CB 4.24Å; Y408-N418 WeakPolarHBondContact CD2-O 3.07Å; Y408-N418 HydrophobicContact CE2-CB 4.12Å; Y408-N418 VanDerWaalsContact CE2-O 3.29Å; Y408-N418 WeakPolarHBondContact CE2-O 3.43Å; Y408-L421 HydrophobicContact CD2-CB 4.36Å; Y408-A422 HydrophobicContact CD2-CB 3.83Å; Y408-A422 HydrophobicContact CE2-CB 3.72Å; Y408-W433 HydrophobicContact CE1-CZ2 4.49Å; Y408-W433 AromaticContact CE2-CE2 3.77Å; Y408-W433 AromaticContact CE2-CZ2 3.88Å; Y408-W433 HydrophobicContact CE2-CZ2 3.88Å; Y408-W433 AromaticContact CE2-NE1 3.27Å; Y408-W433 VanDerWaalsContact CE2-NE1 3.27Å; Y408-W433 AromaticContact CZ-CE2 3.89Å; Y408-W433 AromaticContact CZ-CZ2 3.71Å; Y408-W433 AromaticContact CZ-NE1 3.48Å; Y408-W433 WeakPolarHBondContact OH-CZ2 3.34Å; Y408-W433 PolarHBondContact OH-NE1 3.23Å; Y408-Q679 HydrophobicContact CD1-CG 3.94Å; Y408-Q679 HydrophobicContact CE1-CG 4.13Å; Y408-T680 WeakPolarHBondContact CE1-OG1 3.42Å; Y408-T680 WeakPolarHBondContact OH-CG2 3.33Å; Y408-T680 PolarHBondContact OH-OG1 2.88Å; Y408-F683 VanDerWaalsContact O-CE2 3.28Å; Y408-F683 WeakPolarHBondContact O-CE2 3.16Å; Y408-F683 WeakPolarHBondContact O-CZ 3.24Å
409G88.6Confident89Confident0 Ų052 Ų520%024%0.244CC..THydrogen-bonded Turntrans80.9-7.6179.400000114.6R407 N418 F683 K687R407-G409 PolarHBondContact O-N 2.68Å; G409-N418 VanDerWaalsContact CA-OD1 3.24Å; G409-N418 WeakPolarHBondContact CA-OD1 3.41Å; G409-N418 PolarHBondContact N-OD1 3.04Å; G409-F683 VanDerWaalsContact C-CD1 3.48Å; G409-F683 VanDerWaalsContact C-CE1 3.45Å; G409-F683 WeakPolarHBondContact O-CD1 3.42Å; G409-F683 VanDerWaalsContact O-CE1 3.31Å; G409-F683 WeakPolarHBondContact O-CE1 3.27Å; G409-K687 WeakPolarHBondContact O-CE 3.21Å; G409-K687 PolarHBondContact O-NZ 3.21Å
410H85.6Confident89.1Confident40 Ų4053.8 Ų53.819%0.18526%0.256CS..  trans-86.5-19179.7-72.6-92.8000114.6R407 Y408 T412 F683R407-H410 HydrophobicContact CB-CB 4.47Å; R407-H410 WeakPolarHBondContact O-CB 3.31Å; R407-H410 PolarHBondContact O-N 2.84Å; R407-H410 VanDerWaalsContact O-N 3.14Å; Y408-H410 VanDerWaalsContact C-N 3.26Å; Y408-H410 PolarHBondContact O-CD2 3.02Å; Y408-H410 PolarHBondContact O-N 2.8Å; H410-T412 PolarHBondContact O-N 3.17Å; H410-F683 AromaticContact CD2-CZ 3.73Å; H410-F683 AromaticContact NE2-CZ 3.55Å
411D84.3Confident89Confident32 Ų3255.5 Ų55.517%0.17126%0.264CS..  trans-75.2111.1-178.9-162.7-27.9000110.9V413 Q414 N418 K687D411-V413 PolarHBondContact OD1-N 3.28Å; D411-Q414 PolarHBondContact OD1-N 3.34Å; D411-N418 PolarHBondContact N-OD1 3.08Å; D411-N418 PolarHBondContact O-ND2 3.31Å; D411-K687 PolarHBondContact O-NZ 2.87Å
412T79Confident89Confident63 Ų6352.3 Ų52.339%0.38726%0.256SS..SBendtrans-100.6-12.3179.157.10000113.4H410 K440 L725H410-T412 PolarHBondContact O-N 3.17Å; T412-K440 PolarHBondContact O-NZ 3.46Å; T412-L725 HydrophobicContact CG2-CD1 3.93Å
413V80.9Confident88.7Confident113 Ų11351.5 Ų51.569%0.68527%0.268SS*.SBendtrans-93.1-58.6-178-178.80000108.7D411 V415D411-V413 PolarHBondContact OD1-N 3.28Å; V413-V415 PolarHBondContact O-N 3.04Å
414Q85.6Confident88.1Confident88 Ų8852.2 Ų52.241%0.41128%0.281SS..SBendtrans-100.372176.2-63.8-177.53.400109.1D411 W416 R417D411-Q414 PolarHBondContact OD1-N 3.34Å; Q414-W416 PolarHBondContact O-N 3.45Å; Q414-W416 VanDerWaalsContact O-N 3.09Å; Q414-R417 HydrophobicContact CB-CB 4.19Å; Q414-R417 VanDerWaalsContact O-CB 3.25Å; Q414-R417 WeakPolarHBondContact O-CB 3.35Å; Q414-R417 PolarHBondContact O-N 2.98Å
415V87.1Confident87.7Confident2 Ų257.3 Ų57.31%0.01232%0.316CS..G310 helixtrans-52.8-37.1-173.6177.30000112.6V413 R417 N418 W433 L436 F437 K440V413-V415 PolarHBondContact O-N 3.04Å; V415-R417 VanDerWaalsContact C-N 3.28Å; V415-R417 PolarHBondContact O-N 3.4Å; V415-N418 PolarHBondContact O-N 2.79Å; V415-N418 PolarHBondContact O-ND2 3.11Å; V415-W433 HydrophobicContact CG1-CE3 3.67Å; V415-W433 HydrophobicContact CG1-CZ3 4.03Å; V415-L436 HydrophobicContact CG1-CB 4.05Å; V415-F437 HydrophobicContact CB-CB 4.32Å; V415-K440 HydrophobicContact CG2-CD 4.09Å
416W88.7Confident87.6Confident76 Ų7654.4 Ų54.429%0.28830%0.304SS..G310 helixtrans-59.1-35.3177.166.4-93.8000112.7Q414 N418 H419 L420 F434 F437Q414-W416 PolarHBondContact O-N 3.45Å; Q414-W416 VanDerWaalsContact O-N 3.09Å; W416-N418 PolarHBondContact O-N 3.01Å; W416-H419 AromaticContact CE3-NE2 3.88Å; W416-H419 PolarHBondContact O-CD2 3.01Å; W416-H419 PolarHBondContact O-N 3.23Å; W416-L420 HydrophobicContact CH2-CD1 4.35Å; W416-L420 HydrophobicContact CZ3-CD1 3.72Å; W416-L420 HydrophobicContact CZ3-CG 4.5Å; W416-F434 HydrophobicContact CB-CD1 4.04Å; W416-F434 HydrophobicContact CB-CE1 3.98Å; W416-F434 HydrophobicContact CB-CG 4.49Å; W416-F434 HydrophobicContact CB-CZ 4.38Å; W416-F434 HydrophobicContact CE3-CZ 4.19Å; W416-F434 HydrophobicContact CG-CE1 4.4Å; W416-F437 HydrophobicContact CB-CB 4.08Å; W416-F437 HydrophobicContact CB-CG 4.22Å; W416-F437 AromaticContact CD1-CD2 3.75Å; W416-F437 AromaticContact CD1-CE2 3.87Å
417R90.9Very high87.4Confident121 Ų12155.9 Ų55.946%0.45731%0.312SS..G310 helixtrans-59-22-176.2-170.6178.1178.9-169.70.8113.3Q414 V415 H419 L420 L421Q414-R417 HydrophobicContact CB-CB 4.19Å; Q414-R417 VanDerWaalsContact O-CB 3.25Å; Q414-R417 WeakPolarHBondContact O-CB 3.35Å; Q414-R417 PolarHBondContact O-N 2.98Å; V415-R417 VanDerWaalsContact C-N 3.28Å; V415-R417 PolarHBondContact O-N 3.4Å; R417-H419 PolarHBondContact O-N 3.12Å; R417-L420 HydrophobicContact CG-CD1 4.4Å; R417-L420 WeakPolarHBondContact O-CB 3.28Å; R417-L420 PolarHBondContact O-N 3.13Å; R417-L421 PolarHBondContact O-N 3.11Å
418N92.4Very high87.5Confident0 Ų052.7 Ų52.70%030%0.303CS..Hα-helixtrans-57.8-28.6176.3-67.6-68.2000112.6Y408 G409 D411 V415 W416 L420 L421 A422 W433 K687Y408-N418 HydrophobicContact CD2-CB 4.24Å; Y408-N418 WeakPolarHBondContact CD2-O 3.07Å; Y408-N418 HydrophobicContact CE2-CB 4.12Å; Y408-N418 VanDerWaalsContact CE2-O 3.29Å; Y408-N418 WeakPolarHBondContact CE2-O 3.43Å; G409-N418 VanDerWaalsContact CA-OD1 3.24Å; G409-N418 WeakPolarHBondContact CA-OD1 3.41Å; G409-N418 PolarHBondContact N-OD1 3.04Å; D411-N418 PolarHBondContact N-OD1 3.08Å; D411-N418 PolarHBondContact O-ND2 3.31Å; V415-N418 PolarHBondContact O-N 2.79Å; V415-N418 PolarHBondContact O-ND2 3.11Å; W416-N418 PolarHBondContact O-N 3.01Å; N418-L420 VanDerWaalsContact C-N 3.31Å; N418-L420 PolarHBondContact O-N 3.43Å; N418-L421 PolarHBondContact O-N 2.99Å; N418-A422 PolarHBondContact O-N 3.4Å; N418-W433 HydrophobicContact CB-CD2 3.47Å; N418-W433 VanDerWaalsContact CB-CD2 3.47Å; N418-W433 VanDerWaalsContact CB-CE2 3.49Å; N418-W433 HydrophobicContact CB-CE3 3.86Å; N418-W433 HydrophobicContact CB-CG 3.84Å; N418-W433 HydrophobicContact CB-CH2 4.26Å; N418-W433 HydrophobicContact CB-CZ2 3.9Å; N418-W433 HydrophobicContact CB-CZ3 4.24Å; N418-K687 PolarHBondContact ND2-NZ 3.11Å; N418-K687 VanDerWaalsContact ND2-NZ 3.2Å
419H91.4Very high87.5Confident14 Ų1452.7 Ų52.77%0.06530%0.303CS..Hα-helixtrans-66.1-33.41748577.6000112.6W416 R417 A422 G424 R430 W433 F434W416-H419 AromaticContact CE3-NE2 3.88Å; W416-H419 PolarHBondContact O-CD2 3.01Å; W416-H419 PolarHBondContact O-N 3.23Å; R417-H419 PolarHBondContact O-N 3.12Å; H419-A422 WeakPolarHBondContact O-CB 3.07Å; H419-A422 PolarHBondContact O-N 3.24Å; H419-G424 WeakPolarHBondContact O-CA 3.46Å; H419-G424 PolarHBondContact O-N 2.84Å; H419-R430 HydrophobicContact CB-CB 4.26Å; H419-W433 HydrophobicContact CB-CB 4.28Å; H419-W433 HydrophobicContact CB-CG 4.5Å; H419-F434 AromaticContact CD2-CE2 3.48Å; H419-F434 VanDerWaalsContact CD2-CE2 3.48Å; H419-F434 WeakPolarHBondContact CD2-CE2 3.47Å; H419-F434 AromaticContact NE2-CE2 3.33Å; H419-F434 VanDerWaalsContact NE2-CE2 3.33Å; H419-F434 WeakPolarHBondContact NE2-CE2 3.36Å; H419-F434 AromaticContact NE2-CZ 3.76Å
420L91.9Very high87.7Confident89 Ų8958 Ų5847%0.46632%0.323SS..Hα-helixtrans-70-39.2175.1-64.5175.4000110.6W416 R417 N418 A422 G423W416-L420 HydrophobicContact CH2-CD1 4.35Å; W416-L420 HydrophobicContact CZ3-CD1 3.72Å; W416-L420 HydrophobicContact CZ3-CG 4.5Å; R417-L420 HydrophobicContact CG-CD1 4.4Å; R417-L420 WeakPolarHBondContact O-CB 3.28Å; R417-L420 PolarHBondContact O-N 3.13Å; N418-L420 VanDerWaalsContact C-N 3.31Å; N418-L420 PolarHBondContact O-N 3.43Å; L420-A422 PolarHBondContact O-N 2.94Å; L420-G423 PolarHBondContact O-N 3.09Å
421L90.4Very high87.9Confident40 Ų4056.6 Ų56.621%0.20932%0.318CS..Hα-helixtrans-66.7-18.1175.1-57179.1000112.7S406 Y408 R417 N418 G423S406-L421 WeakPolarHBondContact CB-O 3.31Å; Y408-L421 HydrophobicContact CD2-CB 4.36Å; R417-L421 PolarHBondContact O-N 3.11Å; N418-L421 PolarHBondContact O-N 2.99Å; L421-G423 VanDerWaalsContact C-N 3.29Å
422A88.6Confident88.4Confident16 Ų1655 Ų5513%0.13231%0.31CS..THydrogen-bonded Turntrans-84.12.3171.600000114.3Y408 N418 H419 L420 L429Y408-A422 HydrophobicContact CD2-CB 3.83Å; Y408-A422 HydrophobicContact CE2-CB 3.72Å; N418-A422 PolarHBondContact O-N 3.4Å; H419-A422 WeakPolarHBondContact O-CB 3.07Å; H419-A422 PolarHBondContact O-N 3.24Å; L420-A422 PolarHBondContact O-N 2.94Å; A422-L429 HydrophobicContact CB-CD1 3.88Å
423G84.6Confident89Confident59 Ų5952 Ų5261%0.60829%0.291SS*.THydrogen-bonded Turntrans100.4-9.3-176.900000114.4L420 L421 S425L420-G423 PolarHBondContact O-N 3.09Å; L421-G423 VanDerWaalsContact C-N 3.29Å; G423-S425 PolarHBondContact O-N 3.32Å
424G81.7Confident89.5Confident32 Ų3248.8 Ų48.833%0.3327%0.268SS..SBendtrans72.1-6.9172.200000116.8H419H419-G424 WeakPolarHBondContact O-CA 3.46Å; H419-G424 PolarHBondContact O-N 2.84Å
425S83.6Confident89.7Confident107 Ų10744.6 Ų44.675%0.74825%0.249SC*.  trans-86.9-23.2-178.253.40000114.3G423 P427G423-S425 PolarHBondContact O-N 3.32Å; S425-P427 VanDerWaalsContact O-CD 3.31Å; S425-P427 WeakPolarHBondContact O-CD 3.45Å
426D88.4Confident89.9Confident49 Ų4944.7 Ų44.726%0.26225%0.249SC..  trans-81.9112.5-177.2-172.7-36.1000111.4Q428 L429 R430D426-Q428 PolarHBondContact O-N 3.26Å; D426-Q428 WeakPolarHBondContact OD1-CB 3.36Å; D426-Q428 PolarHBondContact OD1-N 3.31Å; D426-L429 HydrophobicContact CB-CB 4.08Å; D426-L429 HydrophobicContact CB-CD1 4.07Å; D426-L429 HydrophobicContact CB-CG 4.16Å; D426-L429 PolarHBondContact OD1-N 3.26Å; D426-L429 VanDerWaalsContact OD1-N 3.09Å; D426-R430 WeakPolarHBondContact O-CB 3.44Å; D426-R430 PolarHBondContact O-N 3.37Å
427P88.8Confident89.9Confident96 Ų9643.6 Ų43.662%0.62325%0.246SC*.Hα-helixtrans-69.1-31.6-177.328.2-34.2000113.1S425 R430 S431S425-P427 VanDerWaalsContact O-CD 3.31Å; S425-P427 WeakPolarHBondContact O-CD 3.45Å; P427-R430 PolarHBondContact O-N 3.06Å; P427-S431 PolarHBondContact O-N 3.01Å
428Q91.8Very high89.6Confident69 Ų6941 Ų4132%0.32224%0.237SC..Hα-helixtrans-71.8-44.6180-73.8-166.35900111D426 R430 S431 L432 N651 L652D426-Q428 PolarHBondContact O-N 3.26Å; D426-Q428 WeakPolarHBondContact OD1-CB 3.36Å; D426-Q428 PolarHBondContact OD1-N 3.31Å; Q428-R430 VanDerWaalsContact C-N 3.29Å; Q428-R430 PolarHBondContact O-N 3.06Å; Q428-S431 PolarHBondContact O-N 3.42Å; Q428-L432 WeakPolarHBondContact O-CB 3.31Å; Q428-L432 PolarHBondContact O-N 3.42Å; Q428-N651 PolarHBondContact OE1-OD1 2.78Å; Q428-L652 HydrophobicContact CB-CB 4.26Å; Q428-L652 HydrophobicContact CB-CD1 4.21Å; Q428-L652 VanDerWaalsContact OE1-N 3.11Å
429L93.8Very high89.3Confident1 Ų141.3 Ų41.31%0.00524%0.238CC..Hα-helixtrans-63.4-37.9173.8-68.3-178.4000111.5R403 A422 D426 L432 W433 L652 T680R403-L429 VanDerWaalsContact NH2-CD1 3.32Å; A422-L429 HydrophobicContact CB-CD1 3.88Å; D426-L429 HydrophobicContact CB-CB 4.08Å; D426-L429 HydrophobicContact CB-CD1 4.07Å; D426-L429 HydrophobicContact CB-CG 4.16Å; D426-L429 PolarHBondContact OD1-N 3.26Å; D426-L429 VanDerWaalsContact OD1-N 3.09Å; L429-L432 HydrophobicContact CD2-CD2 4.18Å; L429-L432 PolarHBondContact O-N 3.22Å; L429-W433 PolarHBondContact O-N 3.21Å; L429-W433 VanDerWaalsContact O-N 3.11Å; L429-L652 HydrophobicContact CD2-CD1 3.72Å; L429-T680 HydrophobicContact CD2-CG2 3.71Å
430R91.7Very high89Confident110 Ų11043 Ų4342%0.41525%0.245SC..Hα-helixtrans-57-54.1172.1-175.2176.4175.9-177.8-4.4110.6H419 D426 P427 Q428 L432 W433 F434H419-R430 HydrophobicContact CB-CB 4.26Å; D426-R430 WeakPolarHBondContact O-CB 3.44Å; D426-R430 PolarHBondContact O-N 3.37Å; P427-R430 PolarHBondContact O-N 3.06Å; Q428-R430 VanDerWaalsContact C-N 3.29Å; Q428-R430 PolarHBondContact O-N 3.06Å; R430-L432 PolarHBondContact O-N 2.83Å; R430-W433 PolarHBondContact O-N 2.67Å; R430-F434 HydrophobicContact CG-CD2 3.77Å; R430-F434 HydrophobicContact CG-CE2 3.78Å; R430-F434 VanDerWaalsContact O-CD2 3.25Å; R430-F434 WeakPolarHBondContact O-CD2 3.3Å; R430-F434 PolarHBondContact O-N 3.18Å
431S91.1Very high88.4Confident11 Ų1141.8 Ų41.88%0.07724%0.237CC..Hα-helixtrans-57.3-50.6179.2-1660000111.7P427 Q428 W433 F434 D435 R620P427-S431 PolarHBondContact O-N 3.01Å; Q428-S431 PolarHBondContact O-N 3.42Å; S431-W433 PolarHBondContact O-N 2.95Å; S431-F434 PolarHBondContact O-N 3.17Å; S431-F434 VanDerWaalsContact O-N 3.15Å; S431-D435 WeakPolarHBondContact O-CB 3.46Å; S431-D435 PolarHBondContact O-N 3.06Å; S431-D435 VanDerWaalsContact O-OD2 3.05Å; S431-D435 PolarHBondContact OG-OD2 2.97Å; S431-R620 PolarHBondContact OG-NH2 2.9Å
432L94Very high87.8Confident0 Ų040.4 Ų40.40%023%0.231CC..Hα-helixtrans-49.7-52.7-179.7171.661.5000112.8Q428 L429 R430 D435 L436 L652 I655 T680Q428-L432 WeakPolarHBondContact O-CB 3.31Å; Q428-L432 PolarHBondContact O-N 3.42Å; L429-L432 HydrophobicContact CD2-CD2 4.18Å; L429-L432 PolarHBondContact O-N 3.22Å; R430-L432 PolarHBondContact O-N 2.83Å; L432-D435 PolarHBondContact O-N 3.34Å; L432-L436 HydrophobicContact CD1-CD1 3.98Å; L432-L436 HydrophobicContact CD1-CG 4.25Å; L432-L436 HydrophobicContact CG-CD1 4.35Å; L432-L436 WeakPolarHBondContact O-CG 3.43Å; L432-L436 PolarHBondContact O-N 3.31Å; L432-L652 HydrophobicContact CB-CB 4.21Å; L432-L652 HydrophobicContact CD2-CB 4.47Å; L432-L652 HydrophobicContact CD2-CD1 3.84Å; L432-L652 HydrophobicContact CD2-CD2 4.24Å; L432-L652 HydrophobicContact CD2-CG 4.43Å; L432-I655 HydrophobicContact CD1-CB 3.92Å; L432-I655 HydrophobicContact CD1-CG1 3.9Å; L432-I655 HydrophobicContact CD1-CG2 3.75Å; L432-T680 HydrophobicContact CD2-CG2 3.61Å
433W92.8Very high87.1Confident0 Ų040.1 Ų40.10%023%0.228CC..Hα-helixtrans-72.1-30.7-176.2-71.3114.2000113Y408 V415 N418 H419 L429 R430 S431 L436 F437 F683 K687Y408-W433 HydrophobicContact CE1-CZ2 4.49Å; Y408-W433 AromaticContact CE2-CE2 3.77Å; Y408-W433 AromaticContact CE2-CZ2 3.88Å; Y408-W433 HydrophobicContact CE2-CZ2 3.88Å; Y408-W433 AromaticContact CE2-NE1 3.27Å; Y408-W433 VanDerWaalsContact CE2-NE1 3.27Å; Y408-W433 AromaticContact CZ-CE2 3.89Å; Y408-W433 AromaticContact CZ-CZ2 3.71Å; Y408-W433 AromaticContact CZ-NE1 3.48Å; Y408-W433 WeakPolarHBondContact OH-CZ2 3.34Å; Y408-W433 PolarHBondContact OH-NE1 3.23Å; V415-W433 HydrophobicContact CG1-CE3 3.67Å; V415-W433 HydrophobicContact CG1-CZ3 4.03Å; N418-W433 HydrophobicContact CB-CD2 3.47Å; N418-W433 VanDerWaalsContact CB-CD2 3.47Å; N418-W433 VanDerWaalsContact CB-CE2 3.49Å; N418-W433 HydrophobicContact CB-CE3 3.86Å; N418-W433 HydrophobicContact CB-CG 3.84Å; N418-W433 HydrophobicContact CB-CH2 4.26Å; N418-W433 HydrophobicContact CB-CZ2 3.9Å; N418-W433 HydrophobicContact CB-CZ3 4.24Å; H419-W433 HydrophobicContact CB-CB 4.28Å; H419-W433 HydrophobicContact CB-CG 4.5Å; L429-W433 PolarHBondContact O-N 3.21Å; L429-W433 VanDerWaalsContact O-N 3.11Å; R430-W433 PolarHBondContact O-N 2.67Å; S431-W433 PolarHBondContact O-N 2.95Å; W433-L436 HydrophobicContact CE3-CD1 3.99Å; W433-L436 HydrophobicContact CZ3-CD1 4.04Å; W433-F437 WeakPolarHBondContact O-CB 3.29Å; W433-F437 PolarHBondContact O-N 3.12Å; W433-F437 VanDerWaalsContact O-N 3.08Å; W433-F683 HydrophobicContact CH2-CB 4.21Å; W433-K687 HydrophobicContact CH2-CD 4.5Å; W433-K687 HydrophobicContact CZ3-CD 4.21Å
434F89.9Confident86.4Confident44 Ų4442.1 Ų42.119%0.19322%0.222CC..Hα-helixtrans-68.8-44.7170.5-87.1-72.6000111.8W416 H419 R430 S431 L436 F437 Y438W416-F434 HydrophobicContact CB-CD1 4.04Å; W416-F434 HydrophobicContact CB-CE1 3.98Å; W416-F434 HydrophobicContact CB-CG 4.49Å; W416-F434 HydrophobicContact CB-CZ 4.38Å; W416-F434 HydrophobicContact CE3-CZ 4.19Å; W416-F434 HydrophobicContact CG-CE1 4.4Å; H419-F434 AromaticContact CD2-CE2 3.48Å; H419-F434 VanDerWaalsContact CD2-CE2 3.48Å; H419-F434 WeakPolarHBondContact CD2-CE2 3.47Å; H419-F434 AromaticContact NE2-CE2 3.33Å; H419-F434 VanDerWaalsContact NE2-CE2 3.33Å; H419-F434 WeakPolarHBondContact NE2-CE2 3.36Å; H419-F434 AromaticContact NE2-CZ 3.76Å; R430-F434 HydrophobicContact CG-CD2 3.77Å; R430-F434 HydrophobicContact CG-CE2 3.78Å; R430-F434 VanDerWaalsContact O-CD2 3.25Å; R430-F434 WeakPolarHBondContact O-CD2 3.3Å; R430-F434 PolarHBondContact O-N 3.18Å; S431-F434 PolarHBondContact O-N 3.17Å; S431-F434 VanDerWaalsContact O-N 3.15Å; F434-L436 VanDerWaalsContact C-N 3.34Å; F434-L436 PolarHBondContact O-N 2.8Å; F434-F437 WeakPolarHBondContact O-CB 3.05Å; F434-F437 PolarHBondContact O-N 3.22Å; F434-F437 VanDerWaalsContact O-N 3.1Å; F434-Y438 HydrophobicContact CB-CE2 4.29Å; F434-Y438 HydrophobicContact CD1-CE2 4.19Å; F434-Y438 WeakPolarHBondContact O-CD2 3.43Å; F434-Y438 PolarHBondContact O-N 3.14Å
435D90.3Very high85.6Confident1 Ų142 Ų421%0.00521%0.213CC..Hα-helixtrans-61.6-44.3179.6-64.5-32.3000110.3S431 L432 F437 Y438 M439 R620 I655S431-D435 WeakPolarHBondContact O-CB 3.46Å; S431-D435 PolarHBondContact O-N 3.06Å; S431-D435 VanDerWaalsContact O-OD2 3.05Å; S431-D435 PolarHBondContact OG-OD2 2.97Å; L432-D435 PolarHBondContact O-N 3.34Å; D435-F437 VanDerWaalsContact C-N 3.34Å; D435-F437 PolarHBondContact O-N 3.45Å; D435-Y438 PolarHBondContact O-N 3.34Å; D435-M439 WeakPolarHBondContact O-CB 3.3Å; D435-M439 VanDerWaalsContact O-CG 3.25Å; D435-M439 WeakPolarHBondContact O-CG 3.29Å; D435-M439 PolarHBondContact O-N 3.39Å; D435-R620 IonicContact OD1-CZ 2.71Å; D435-R620 IonicContact OD1-NE 3.56Å; D435-R620 IonicContact OD1-NH2 2.72Å; D435-R620 PolarHBondContact OD1-NH2 3.23Å; D435-R620 IonicContact OD2-NH2 3.18Å; D435-I655 HydrophobicContact CB-CG2 3.76Å
436L90.3Very high84.4Confident4 Ų438 Ų382%0.02119%0.187CC..Hα-helixtrans-61.6-39.7173-70177000112.5V415 L432 W433 F434 M439 K440 Y459 I655 L660 C684V415-L436 HydrophobicContact CG1-CB 4.05Å; L432-L436 HydrophobicContact CD1-CD1 3.98Å; L432-L436 HydrophobicContact CD1-CG 4.25Å; L432-L436 HydrophobicContact CG-CD1 4.35Å; L432-L436 WeakPolarHBondContact O-CG 3.43Å; L432-L436 PolarHBondContact O-N 3.31Å; W433-L436 HydrophobicContact CE3-CD1 3.99Å; W433-L436 HydrophobicContact CZ3-CD1 4.04Å; F434-L436 VanDerWaalsContact C-N 3.34Å; F434-L436 PolarHBondContact O-N 2.8Å; L436-M439 PolarHBondContact O-N 3.28Å; L436-K440 WeakPolarHBondContact O-CB 3.36Å; L436-K440 PolarHBondContact O-N 2.82Å; L436-Y459 HydrophobicContact CB-CE1 4.16Å; L436-Y459 HydrophobicContact CD2-CD1 3.68Å; L436-Y459 HydrophobicContact CD2-CE1 3.96Å; L436-Y459 VanDerWaalsContact O-CE1 3.28Å; L436-Y459 WeakPolarHBondContact O-CE1 3.49Å; L436-I655 HydrophobicContact CD2-CG1 4.21Å; L436-L660 HydrophobicContact CD2-CD1 3.73Å; L436-L660 HydrophobicContact CD2-CD2 4.31Å; L436-L660 HydrophobicContact CD2-CG 3.93Å; L436-C684 HydrophobicContact CD1-CB 4.48Å
437F88.7Confident82.8Confident52 Ų5241.6 Ų41.623%0.22820%0.202CC..Hα-helixtrans-61.2-48.4175.6171.6-99.8000111.8V415 W416 W433 F434 D435 M439 K440 Q441V415-F437 HydrophobicContact CB-CB 4.32Å; W416-F437 HydrophobicContact CB-CB 4.08Å; W416-F437 HydrophobicContact CB-CG 4.22Å; W416-F437 AromaticContact CD1-CD2 3.75Å; W416-F437 AromaticContact CD1-CE2 3.87Å; W433-F437 WeakPolarHBondContact O-CB 3.29Å; W433-F437 PolarHBondContact O-N 3.12Å; W433-F437 VanDerWaalsContact O-N 3.08Å; F434-F437 WeakPolarHBondContact O-CB 3.05Å; F434-F437 PolarHBondContact O-N 3.22Å; F434-F437 VanDerWaalsContact O-N 3.1Å; D435-F437 VanDerWaalsContact C-N 3.34Å; D435-F437 PolarHBondContact O-N 3.45Å; F437-M439 PolarHBondContact O-N 3.33Å; F437-K440 PolarHBondContact O-N 3.12Å; F437-Q441 PolarHBondContact O-N 2.84Å
438Y84.8Confident81.1Confident67 Ų6744 Ų4426%0.26321%0.209SC..Hα-helixtrans-65.1-39.5178.4-71.6-61.6000112.5F434 D435 K440 Q441 C442F434-Y438 HydrophobicContact CB-CE2 4.29Å; F434-Y438 HydrophobicContact CD1-CE2 4.19Å; F434-Y438 WeakPolarHBondContact O-CD2 3.43Å; F434-Y438 PolarHBondContact O-N 3.14Å; D435-Y438 PolarHBondContact O-N 3.34Å; Y438-K440 PolarHBondContact O-N 3.05Å; Y438-Q441 PolarHBondContact O-N 3.15Å; Y438-C442 WeakPolarHBondContact O-CB 3.27Å; Y438-C442 PolarHBondContact O-N 3.19Å; Y438-C442 PolarHBondContact O-SG 3.41Å
439M87Confident79.3Confident6 Ų648.7 Ų48.73%0.0323%0.228CC..Hα-helixtrans-59.5-45.4174.4-76-176.2-174.900112.2D435 L436 F437 S443 Y459 L502 I655 L656D435-M439 WeakPolarHBondContact O-CB 3.3Å; D435-M439 VanDerWaalsContact O-CG 3.25Å; D435-M439 WeakPolarHBondContact O-CG 3.29Å; D435-M439 PolarHBondContact O-N 3.39Å; L436-M439 PolarHBondContact O-N 3.28Å; F437-M439 PolarHBondContact O-N 3.33Å; M439-S443 WeakPolarHBondContact O-CB 3.34Å; M439-S443 PolarHBondContact O-N 3.22Å; M439-S443 VanDerWaalsContact O-N 3.12Å; M439-Y459 HydrophobicContact CB-CD1 3.76Å; M439-Y459 HydrophobicContact CB-CE1 4.38Å; M439-Y459 HydrophobicContact SD-CD1 4.3Å; M439-L502 HydrophobicContact CB-CD2 4.45Å; M439-L502 HydrophobicContact CG-CD2 3.96Å; M439-I655 WeakPolarHBondContact CE-O 3.33Å; M439-L656 VanDerWaalsContact CE-CA 3.49Å; M439-L656 HydrophobicContact CE-CD1 4.37Å
440K84.1Confident77.1Confident49 Ų4953.3 Ų53.321%0.21325%0.252CS..Hα-helixtrans-61.7-49.5177.4-171-173177-164.20111T412 V415 L436 F437 Y438 C442 S443 E444 Y459T412-K440 PolarHBondContact O-NZ 3.46Å; V415-K440 HydrophobicContact CG2-CD 4.09Å; L436-K440 WeakPolarHBondContact O-CB 3.36Å; L436-K440 PolarHBondContact O-N 2.82Å; F437-K440 PolarHBondContact O-N 3.12Å; Y438-K440 PolarHBondContact O-N 3.05Å; K440-C442 PolarHBondContact O-N 2.89Å; K440-S443 WeakPolarHBondContact O-CB 3.43Å; K440-S443 PolarHBondContact O-N 2.75Å; K440-E444 VanDerWaalsContact CE-OE1 3.27Å; K440-E444 WeakPolarHBondContact CE-OE1 3.28Å; K440-E444 PolarHBondContact O-N 2.81Å; K440-E444 VanDerWaalsContact O-N 3.13Å; K440-Y459 HydrophobicContact CB-CE1 3.97Å
441Q81Confident74.8Confident64 Ų6458.1 Ų58.130%0.29928%0.28SS..Hα-helixtrans-62.8-41.7-178.9-171177.39.500112.4F437 Y438 S443 E444 D445F437-Q441 PolarHBondContact O-N 2.84Å; Y438-Q441 PolarHBondContact O-N 3.15Å; Q441-S443 VanDerWaalsContact C-N 3.31Å; Q441-S443 PolarHBondContact O-N 3.15Å; Q441-E444 PolarHBondContact O-N 2.99Å; Q441-D445 PolarHBondContact O-N 3Å; Q441-D445 VanDerWaalsContact O-N 3.13Å
442C77.2Confident72.2Confident12 Ų1259.7 Ų59.78%0.08130%0.297CS..Hα-helixtrans-65.8-34177.6-70.30000112.6Y438 K440 A446 L498 L502Y438-C442 WeakPolarHBondContact O-CB 3.27Å; Y438-C442 PolarHBondContact O-N 3.19Å; Y438-C442 PolarHBondContact O-SG 3.41Å; K440-C442 PolarHBondContact O-N 2.89Å; C442-A446 WeakPolarHBondContact O-CB 3.36Å; C442-A446 PolarHBondContact O-N 2.95Å; C442-A446 VanDerWaalsContact O-N 3.14Å; C442-L498 HydrophobicContact CB-CD1 4.36Å; C442-L502 HydrophobicContact CB-CD2 3.96Å
443S73Confident69.5Low9 Ų968.4 Ų68.46%0.06334%0.344CS..Hα-helixtrans-67.9-45.8176.8-167.20000111.9M439 K440 Q441 D445 A446 E447M439-S443 WeakPolarHBondContact O-CB 3.34Å; M439-S443 PolarHBondContact O-N 3.22Å; M439-S443 VanDerWaalsContact O-N 3.12Å; K440-S443 WeakPolarHBondContact O-CB 3.43Å; K440-S443 PolarHBondContact O-N 2.75Å; Q441-S443 VanDerWaalsContact C-N 3.31Å; Q441-S443 PolarHBondContact O-N 3.15Å; S443-D445 VanDerWaalsContact C-N 3.3Å; S443-D445 PolarHBondContact O-N 3.35Å; S443-A446 PolarHBondContact O-N 3.39Å; S443-E447 PolarHBondContact O-N 2.71Å; S443-E447 VanDerWaalsContact O-N 3.11Å
444E70.8Confident67.2Low102 Ų10276.9 Ų76.948%0.47738%0.381SS..Hα-helixtrans-61.6-38.8177.5-69.3173.4177.700111.4K440 Q441K440-E444 VanDerWaalsContact CE-OE1 3.27Å; K440-E444 WeakPolarHBondContact CE-OE1 3.28Å; K440-E444 PolarHBondContact O-N 2.81Å; K440-E444 VanDerWaalsContact O-N 3.13Å; Q441-E444 PolarHBondContact O-N 2.99Å
445D64.1Low65.1Low28 Ų2884 Ų8415%0.1541%0.414CS..Hα-helixtrans-69.6-30176.5-77-8.7000113.4Q441 S443 R508Q441-D445 PolarHBondContact O-N 3Å; Q441-D445 VanDerWaalsContact O-N 3.13Å; S443-D445 VanDerWaalsContact C-N 3.3Å; S443-D445 PolarHBondContact O-N 3.35Å; D445-R508 VanDerWaalsContact CG-NH2 3.28Å; D445-R508 IonicContact OD1-CZ 2.72Å; D445-R508 IonicContact OD1-NE 3.78Å; D445-R508 IonicContact OD1-NH2 3.31Å; D445-R508 PolarHBondContact OD1-NH2 3.42Å; D445-R508 IonicContact OD2-CZ 3.61Å; D445-R508 VanDerWaalsContact OD2-CZ 3.3Å; D445-R508 IonicContact OD2-NE 2.8Å; D445-R508 PolarHBondContact OD2-NE 2.96Å; D445-R508 IonicContact OD2-NH2 3.7Å; D445-R508 PolarHBondContact OD2-NH2 3.24Å
446A58.8Low63.2Low23 Ų2388.2 Ų88.219%0.1943%0.433CS..Hα-helixtrans-78.5-38.2179.900000112.5C442 S443 L448 K449 L450C442-A446 WeakPolarHBondContact O-CB 3.36Å; C442-A446 PolarHBondContact O-N 2.95Å; C442-A446 VanDerWaalsContact O-N 3.14Å; S443-A446 PolarHBondContact O-N 3.39Å; A446-L448 PolarHBondContact O-N 3.44Å; A446-K449 PolarHBondContact O-N 3.49Å; A446-L450 PolarHBondContact O-N 3.21Å
447E55.7Low61.6Low125 Ų12591.6 Ų91.658%0.58445%0.454SS*.Hα-helixtrans-60.4-33.1174-74.4-174167.900112.1S443 K449S443-E447 PolarHBondContact O-N 2.71Å; S443-E447 VanDerWaalsContact O-N 3.11Å; E447-K449 VanDerWaalsContact C-N 3.28Å; E447-K449 PolarHBondContact O-N 2.71Å
448L53.2Low60.7Low147 Ų14791.7 Ų91.777%0.7746%0.459SS*.THydrogen-bonded Turntrans-68.2-22.2174.7-73.8165.2000113.8A446A446-L448 PolarHBondContact O-N 3.44Å
449K52.3Low60.5Low167 Ų16789.4 Ų89.473%0.72645%0.449SS*.THydrogen-bonded Turntrans-99.2-17-176.4-73.6-174.1176.3-174.80114.5A446 E447A446-K449 PolarHBondContact O-N 3.49Å; E447-K449 VanDerWaalsContact C-N 3.28Å; E447-K449 PolarHBondContact O-N 2.71Å
450L47.8Very low60.3Low98 Ų9890.1 Ų90.151%0.51346%0.455SS..  trans-121.288.7-174.1-77.5159.5000111.7A446 G452A446-L450 PolarHBondContact O-N 3.21Å; L450-G452 PolarHBondContact O-N 2.82Å
451Q43Very low60.5Low212 Ų21287.8 Ų87.899%0.99145%0.445SS*.  trans-75.738.1162.9-85.7-178.4-14.500112.6
452G37.3Very low61Low43 Ų4384.7 Ų84.744%0.44343%0.431SS..SBendtrans-148114-177.100000113.7L450 K454L450-G452 PolarHBondContact O-N 2.82Å; G452-K454 PolarHBondContact O-N 2.94Å
453N36.2Very low61.7Low184 Ų18485.3 Ų85.398%0.98443%0.432SS*.SBendtrans16.314158-100.18.7000124
454K44.8Very low62.4Low178 Ų17887.8 Ų87.877%0.77444%0.444SS*.  trans-105.9106.4167-79.2-173.7177.8-179.40109G452 F456G452-K454 PolarHBondContact O-N 2.94Å; K454-F456 PolarHBondContact O-N 2.83Å
455Q46.3Very low63.2Low192 Ų19283.3 Ų83.390%0.89742%0.424SS*.  trans-72.495.4179.2-154.9156.67.400108.9V457Q455-V457 PolarHBondContact O-N 3.42Å
456F49.8Very low64.1Low90 Ų9082.1 Ų82.140%0.39542%0.417SS..  trans-69.3124.4172.5-116.7-91.5000108.5K454 V458 L498K454-F456 PolarHBondContact O-N 2.83Å; F456-V458 PolarHBondContact O-N 3.33Å; F456-L498 HydrophobicContact CE1-CD2 4.09Å; F456-L498 HydrophobicContact CZ-CD2 4.18Å
457V58Low65Low75 Ų7586.8 Ų86.846%0.45543%0.433SS..  trans-80.1115.2178-176.30000107.8Q455 Y459 S460 P690Q455-V457 PolarHBondContact O-N 3.42Å; V457-Y459 PolarHBondContact O-N 3.35Å; V457-S460 WeakPolarHBondContact O-CB 3.31Å; V457-S460 PolarHBondContact O-N 2.97Å; V457-S460 VanDerWaalsContact O-N 3.17Å; V457-P690 HydrophobicContact CG1-CG 3.6Å
458V69.5Low65.4Low55 Ų5585.1 Ų85.133%0.33343%0.432SS..THydrogen-bonded Turntrans-52.3136172.5-166.20000108.8F456F456-V458 PolarHBondContact O-N 3.33Å
459Y80.1Confident65.9Low18 Ų1879.2 Ų79.27%0.07140%0.403CS..THydrogen-bonded Turntrans64.728.8-175.5-53.1-83.2000116.1L436 M439 K440 V457 G659 L660 G688L436-Y459 HydrophobicContact CB-CE1 4.16Å; L436-Y459 HydrophobicContact CD2-CD1 3.68Å; L436-Y459 HydrophobicContact CD2-CE1 3.96Å; L436-Y459 VanDerWaalsContact O-CE1 3.28Å; L436-Y459 WeakPolarHBondContact O-CE1 3.49Å; M439-Y459 HydrophobicContact CB-CD1 3.76Å; M439-Y459 HydrophobicContact CB-CE1 4.38Å; M439-Y459 HydrophobicContact SD-CD1 4.3Å; K440-Y459 HydrophobicContact CB-CE1 3.97Å; V457-Y459 PolarHBondContact O-N 3.35Å; Y459-G659 CarbonylContact O-C 3.46Å; Y459-G659 WeakPolarHBondContact O-CA 3.43Å; Y459-L660 HydrophobicContact CD1-CD1 4.04Å; Y459-L660 HydrophobicContact CD2-CD1 4.15Å; Y459-L660 HydrophobicContact CG-CD1 3.8Å; Y459-L660 HydrophobicContact CG-CG 4.47Å; Y459-L660 PolarHBondContact O-N 2.66Å; Y459-G688 VanDerWaalsContact CD2-O 3.25Å; Y459-G688 WeakPolarHBondContact CD2-O 3.49Å
460S83.3Confident66.1Low21 Ų2176.2 Ų76.215%0.14740%0.403CS..BIsolated β-bridgetrans-68.4132.3167.2-169.40000111.4V457 N464V457-S460 WeakPolarHBondContact O-CB 3.31Å; V457-S460 PolarHBondContact O-N 2.97Å; V457-S460 VanDerWaalsContact O-N 3.17Å; S460-N464 WeakPolarHBondContact OG-CB 3.38Å
461G88.9Confident66.8Low0 Ų074.8 Ų74.80%041%0.412CS..  trans-80.6163.8177.600000113.7K463 N464 I465 L657G461-K463 PolarHBondContact O-N 3.29Å; G461-K463 VanDerWaalsContact O-N 3.13Å; G461-N464 PolarHBondContact O-N 3.32Å; G461-I465 PolarHBondContact O-N 3.32Å; G461-L657 CarbonylContact C-O 3.6Å; G461-L657 VanDerWaalsContact C-O 3.31Å; G461-L657 VanDerWaalsContact CA-O 3.31Å; G461-L657 WeakPolarHBondContact CA-O 3.38Å
462I91.3Very high68.2Low0 Ų066 Ų660%037%0.373CS..Hα-helixtrans-57.1-31.1-177.4-67.9177000112.5N464 I465 V466 A499 L502 V623 I639 L656 L657I462-N464 VanDerWaalsContact C-N 3.27Å; I462-N464 PolarHBondContact O-N 3.16Å; I462-I465 PolarHBondContact O-N 3.44Å; I462-I465 VanDerWaalsContact O-N 3.15Å; I462-V466 HydrophobicContact CG2-CG2 3.78Å; I462-V466 WeakPolarHBondContact O-CG2 3.48Å; I462-V466 PolarHBondContact O-N 2.8Å; I462-A499 HydrophobicContact CD1-CB 4.22Å; I462-A499 HydrophobicContact CG1-CB 4.26Å; I462-A499 HydrophobicContact CG2-CB 4.03Å; I462-L502 HydrophobicContact CD1-CB 4.36Å; I462-L502 HydrophobicContact CG1-CD1 4.02Å; I462-V623 HydrophobicContact CD1-CG1 3.58Å; I462-V623 HydrophobicContact CG2-CG1 4.03Å; I462-I639 HydrophobicContact CG2-CD1 4.29Å; I462-L656 HydrophobicContact CD1-CD1 3.86Å; I462-L656 HydrophobicContact CD1-CD2 4.15Å; I462-L656 HydrophobicContact CD1-CG 3.71Å; I462-L656 HydrophobicContact CG1-CD1 4.46Å; I462-L656 HydrophobicContact CG1-CG 4.45Å; I462-L656 WeakPolarHBondContact CG1-O 3.17Å; I462-L656 PolarHBondContact N-O 2.91Å; I462-L657 HydrophobicContact CB-CD2 4.4Å; I462-L657 PolarHBondContact N-O 3.17Å
463K92Very high70Confident25 Ų2568 Ų6811%0.10938%0.377CS..Hα-helixtrans-55.8-41.1175.7-179.9177171.7-179.30112.7G461 K467 I639 D640 T643 L657 D663G461-K463 PolarHBondContact O-N 3.29Å; G461-K463 VanDerWaalsContact O-N 3.13Å; K463-K467 VanDerWaalsContact O-CG 3.28Å; K463-K467 WeakPolarHBondContact O-CG 3.3Å; K463-K467 PolarHBondContact O-N 3.36Å; K463-I639 HydrophobicContact CB-CG2 3.89Å; K463-I639 HydrophobicContact CG-CG2 4.33Å; K463-D640 WeakPolarHBondContact CE-OD1 3.46Å; K463-D640 IonicContact NZ-OD1 3.07Å; K463-T643 HydrophobicContact CD-CG2 3.98Å; K463-L657 VanDerWaalsContact CB-O 3.25Å; K463-L657 WeakPolarHBondContact CB-O 3.3Å; K463-L657 PolarHBondContact N-O 3.43Å; K463-L657 VanDerWaalsContact N-O 3.09Å; K463-D663 WeakPolarHBondContact CE-OD2 3.47Å; K463-D663 IonicContact NZ-OD1 2.94Å; K463-D663 PolarHBondContact NZ-OD1 3.43Å; K463-D663 IonicContact NZ-OD2 3.73Å; K463-D663 PolarHBondContact NZ-OD2 3.02Å
464N87.8Confident72Confident60 Ų6066.1 Ų66.132%0.32136%0.362SS..Hα-helixtrans-76.1-34.9178.6-72.8-19.7000112.1S460 G461 I462 T468S460-N464 WeakPolarHBondContact OG-CB 3.38Å; G461-N464 PolarHBondContact O-N 3.32Å; I462-N464 VanDerWaalsContact C-N 3.27Å; I462-N464 PolarHBondContact O-N 3.16Å; N464-T468 PolarHBondContact O-OG1 3.43Å
465I86Confident73.5Confident9 Ų959 Ų595%0.04634%0.335CS..Hα-helixtrans-64.5-46.4178.8-64.5169.3000110.7G461 I462 T468 E495 L498 L502G461-I465 PolarHBondContact O-N 3.32Å; I462-I465 PolarHBondContact O-N 3.44Å; I462-I465 VanDerWaalsContact O-N 3.15Å; I465-T468 PolarHBondContact O-N 3.42Å; I465-T468 PolarHBondContact O-OG1 2.94Å; I465-E495 HydrophobicContact CG2-CB 3.8Å; I465-E495 HydrophobicContact CG2-CG 4.41Å; I465-E495 WeakPolarHBondContact CG2-O 3.47Å; I465-L498 HydrophobicContact CD1-CD2 3.88Å; I465-L498 HydrophobicContact CD1-CG 4.2Å; I465-L498 HydrophobicContact CG1-CD2 4.26Å; I465-L498 HydrophobicContact CG2-CB 4.5Å; I465-L498 HydrophobicContact CG2-CD2 4.13Å; I465-L502 HydrophobicContact CD1-CD1 3.37Å
466V83.9Confident74.7Confident3 Ų358.6 Ų58.62%0.01833%0.325CS..Hα-helixtrans-72-30.8-178.4171.90000112I462 T468 S469 L635 P636I462-V466 HydrophobicContact CG2-CG2 3.78Å; I462-V466 WeakPolarHBondContact O-CG2 3.48Å; I462-V466 PolarHBondContact O-N 2.8Å; V466-T468 PolarHBondContact O-N 3.49Å; V466-S469 PolarHBondContact O-N 2.94Å; V466-S469 PolarHBondContact O-OG 3.2Å; V466-L635 HydrophobicContact CG1-CD2 3.81Å; V466-L635 HydrophobicContact CG1-CG 3.78Å; V466-L635 HydrophobicContact CG2-CD2 4.19Å; V466-P636 HydrophobicContact CG1-CB 4.41Å; V466-P636 HydrophobicContact CG1-CG 4.01Å
467K76.9Confident75.8Confident121 Ų12160 Ų6053%0.52633%0.328SS..Hα-helixtrans-62.8-23.7175-81.2178.6-178.7-171.20113.6K463 D640K463-K467 VanDerWaalsContact O-CG 3.28Å; K463-K467 WeakPolarHBondContact O-CG 3.3Å; K463-K467 PolarHBondContact O-N 3.36Å; K467-D640 IonicContact NZ-OD1 3.27Å
468T64.9Low76.4Confident90 Ų9059 Ų5955%0.55232%0.323SS*.THydrogen-bonded Turntrans-93.5-3.5179.748.20000114.2N464 I465 V466 S470N464-T468 PolarHBondContact O-OG1 3.43Å; I465-T468 PolarHBondContact O-N 3.42Å; I465-T468 PolarHBondContact O-OG1 2.94Å; V466-T468 PolarHBondContact O-N 3.49Å; T468-S470 PolarHBondContact O-N 2.75Å
469S62.8Low76.7Confident23 Ų2356.8 Ų56.816%0.16131%0.308CS..  trans-65.1119.7-174.863.20000111.8V466V466-S469 PolarHBondContact O-N 2.94Å; V466-S469 PolarHBondContact O-OG 3.2Å
470S57.8Low75.9Confident103 Ų10358.4 Ų58.472%0.7232%0.322SS*.  trans-133.1128.2173.4-60.70000109T468T468-S470 PolarHBondContact O-N 2.75Å
471G62Low74.6Confident68 Ų6858.9 Ų58.970%0.70133%0.331SS*.  trans95.840.6173.300000115.7
472T72.8Confident73.1Confident28 Ų2861 Ų6117%0.17235%0.345CS..PPolyproline II helixtrans-64.9131.8176.9-49.20000111.7F491 Q492 D632T472-F491 HydrophobicContact CG2-CB 3.77Å; T472-F491 HydrophobicContact CG2-CD1 3.93Å; T472-F491 HydrophobicContact CG2-CG 4.33Å; T472-Q492 WeakPolarHBondContact CA-O 3.17Å; T472-Q492 WeakPolarHBondContact CG2-O 3.46Å; T472-D632 WeakPolarHBondContact CB-OD2 3.35Å; T472-D632 PolarHBondContact OG1-OD1 2.91Å; T472-D632 PolarHBondContact OG1-OD2 3.42Å
473T74.2Confident71.1Confident86 Ų8668.7 Ų68.753%0.52839%0.386SS..EExtended strand (participates in β ladder)trans-94.8129.3171.348.60000110.4Q492T473-Q492 PolarHBondContact N-O 2.76Å; T473-Q492 PolarHBondContact O-N 2.72Å; T473-Q492 PolarHBondContact OG1-O 2.78Å
474E79.1Confident69.4Low144 Ų14475.7 Ų75.767%0.67341%0.412SS*.EExtended strand (participates in β ladder)trans-85.1122.2171.2-67.8-174.118000109.4F491E474-F491 HydrophobicContact CG-CD1 3.87Å; E474-F491 HydrophobicContact CG-CE1 3.64Å; E474-F491 WeakPolarHBondContact OE1-CE1 3.45Å
475S75.3Confident67.8Low29 Ų2981.5 Ų81.520%0.20344%0.437CS..EExtended strand (participates in β ladder)trans-116.9129.5173.767.90000109.4R490S475-R490 PolarHBondContact N-O 2.88Å; S475-R490 PolarHBondContact O-N 3.19Å; S475-R490 VanDerWaalsContact O-O 3.14Å; S475-R490 PolarHBondContact OG-O 3.34Å
476R72.6Confident66.7Low182 Ų18282.2 Ų82.269%0.68744%0.443SS*.EExtended strand (participates in β ladder)trans-91.7123.1169.1-68.7-174.8-178.3-1740.6108.1D487R476-D487 HydrophobicContact CB-CB 4.07Å; R476-D487 WeakPolarHBondContact CD-OD2 3.36Å; R476-D487 HydrophobicContact CG-CB 4.35Å
477R71.9Confident66Low121 Ų12186.4 Ų86.446%0.45747%0.465SS..EExtended strand (participates in β ladder)trans-120.6137.4176.1-73-164.3-179.3-158.20.4110V488 L538R477-V488 PolarHBondContact N-O 2.99Å; R477-V488 PolarHBondContact O-N 3.27Å; R477-L538 HydrophobicContact CB-CD1 3.68Å
478C70.9Confident66.1Low52 Ų5281.7 Ų81.735%0.35145%0.446SS..EExtended strand (participates in β ladder)trans-84.2153170.8-175.10000109.9S480C478-S480 PolarHBondContact O-N 2.87Å
479W75.9Confident67Low9 Ų979.2 Ų79.23%0.03443%0.431CS..  trans-58.9127.1171.7-64.893.9000111.1G481 T486 V488 L535 L538 I540 Y570 F600 L601W479-G481 PolarHBondContact O-N 3.01Å; W479-G481 VanDerWaalsContact O-N 3.17Å; W479-T486 PolarHBondContact NE1-OG1 3.19Å; W479-V488 HydrophobicContact CZ2-CG2 4.26Å; W479-L535 HydrophobicContact CH2-CD1 4.13Å; W479-L535 HydrophobicContact CH2-CG 4.41Å; W479-L535 HydrophobicContact CZ3-CD1 3.69Å; W479-L535 HydrophobicContact CZ3-CG 4.21Å; W479-L538 WeakPolarHBondContact CA-O 3.49Å; W479-L538 HydrophobicContact CD2-CB 4.48Å; W479-L538 HydrophobicContact CD2-CD2 4.3Å; W479-L538 HydrophobicContact CE3-CB 4.01Å; W479-L538 HydrophobicContact CE3-CD2 4.11Å; W479-L538 HydrophobicContact CH2-CD2 3.98Å; W479-L538 HydrophobicContact CZ2-CD2 4.12Å; W479-L538 HydrophobicContact CZ3-CB 4.42Å; W479-L538 HydrophobicContact CZ3-CD2 3.95Å; W479-I540 HydrophobicContact CB-CD1 4.35Å; W479-I540 HydrophobicContact CD2-CD1 3.47Å; W479-I540 VanDerWaalsContact CD2-CD1 3.47Å; W479-I540 HydrophobicContact CD2-CG1 4.12Å; W479-I540 HydrophobicContact CE3-CB 4.4Å; W479-I540 HydrophobicContact CE3-CD1 3.22Å; W479-I540 HydrophobicContact CE3-CG1 3.33Å; W479-I540 HydrophobicContact CG-CD1 4Å; W479-I540 HydrophobicContact CH2-CD1 4.16Å; W479-I540 HydrophobicContact CH2-CG1 4.33Å; W479-I540 HydrophobicContact CZ2-CD1 4.39Å; W479-I540 HydrophobicContact CZ3-CD1 3.6Å; W479-I540 HydrophobicContact CZ3-CG1 3.45Å; W479-I540 VanDerWaalsContact CZ3-CG1 3.45Å; W479-Y570 HydrophobicContact CZ2-CE1 4.38Å; W479-Y570 AromaticContact NE1-CE1 3.84Å; W479-F600 HydrophobicContact CH2-CD1 4.18Å; W479-F600 AromaticContact CH2-CE1 3.57Å; W479-F600 HydrophobicContact CH2-CE1 3.57Å; W479-F600 HydrophobicContact CH2-CZ 4.35Å; W479-F600 HydrophobicContact CZ2-CE1 4.3Å; W479-F600 HydrophobicContact CZ3-CE1 4.35Å; W479-L601 HydrophobicContact CH2-CD2 3.33Å; W479-L601 HydrophobicContact CZ2-CD2 3.58Å; W479-L601 HydrophobicContact CZ3-CD2 4.26Å
480S63.6Low68.1Low52 Ų5278.5 Ų78.536%0.36442%0.424SS..THydrogen-bonded Turntrans-70.5113.8171.647.30000109.1C478 L538 D539C478-S480 PolarHBondContact O-N 2.87Å; S480-L538 PolarHBondContact N-O 2.89Å; S480-L538 PolarHBondContact OG-O 3.36Å; S480-D539 VanDerWaalsContact OG-CA 3.23Å; S480-D539 WeakPolarHBondContact OG-CA 3.23Å; S480-D539 VanDerWaalsContact OG-CB 3.28Å; S480-D539 WeakPolarHBondContact OG-CB 3.47Å; S480-D539 PolarHBondContact OG-OD1 2.91Å; S480-D539 PolarHBondContact OG-OD2 3.35Å; S480-D539 VanDerWaalsContact OG-OD2 3.11Å
481G56.9Low69.5Low31 Ų3174.7 Ų74.732%0.3240%0.395SS..THydrogen-bonded Turntrans93.511.5172.700000117.6W479 R541W479-G481 PolarHBondContact O-N 3.01Å; W479-G481 VanDerWaalsContact O-N 3.17Å; G481-R541 VanDerWaalsContact C-NE 3.33Å; G481-R541 VanDerWaalsContact CA-CD 3.48Å; G481-R541 VanDerWaalsContact O-CZ 3.23Å; G481-R541 PolarHBondContact O-NE 3.03Å; G481-R541 PolarHBondContact O-NH2 3.47Å
482S57.4Low70.5Confident44 Ų4474.5 Ų74.531%0.30838%0.376SS..  trans-92.6139.5160-177.80000109.7R484S482-R484 PolarHBondContact O-N 3.41Å; S482-R484 PolarHBondContact OG-N 2.71Å
483D48.2Very low71.1Confident162 Ų16273.7 Ų73.787%0.86637%0.371SS*.SBendtrans-74.8-0.3176.6-79.6-16.3000113.1
484R56.9Low71.5Confident172 Ų17276.2 Ų76.265%0.64938%0.382SS*.SBendtrans-123.3130.7-177.7-67.2-175.2172.8-172.9-1.5112.4S482 T486S482-R484 PolarHBondContact O-N 3.41Å; S482-R484 PolarHBondContact OG-N 2.71Å; R484-T486 PolarHBondContact O-N 2.83Å
485Q54.4Low71.7Confident182 Ų18271.5 Ų71.585%0.8536%0.36SS*.  trans-77.595.1-179.9-76.8175.6-17.100111.6
486T62.5Low72.3Confident25 Ų2570.2 Ų70.215%0.15335%0.35CS..  trans-112.1114.2164.558.80000107.4W479 R484 V488 D572W479-T486 PolarHBondContact NE1-OG1 3.19Å; R484-T486 PolarHBondContact O-N 2.83Å; T486-V488 PolarHBondContact O-N 2.99Å; T486-D572 HydrophobicContact CG2-CB 3.5Å; T486-D572 VanDerWaalsContact CG2-CB 3.5Å; T486-D572 VanDerWaalsContact CG2-OD2 3.29Å; T486-D572 WeakPolarHBondContact CG2-OD2 3.42Å
487D68.3Low72.8Confident91 Ų9162.9 Ų62.949%0.48733%0.327SS..EExtended strand (participates in β ladder)trans-76.8118.3-178.3-81.9-14.6000110.4R476R476-D487 HydrophobicContact CB-CB 4.07Å; R476-D487 WeakPolarHBondContact CD-OD2 3.36Å; R476-D487 HydrophobicContact CG-CB 4.35Å
488V80.6Confident73.4Confident21 Ų2158.6 Ų58.613%0.12731%0.312CS..EExtended strand (participates in β ladder)trans-99127.6169.2-173.40000108.8R477 W479 T486 L538 F629R477-V488 PolarHBondContact N-O 2.99Å; R477-V488 PolarHBondContact O-N 3.27Å; W479-V488 HydrophobicContact CZ2-CG2 4.26Å; T486-V488 PolarHBondContact O-N 2.99Å; V488-L538 HydrophobicContact CB-CD1 4Å; V488-L538 HydrophobicContact CB-CD2 3.95Å; V488-L538 HydrophobicContact CG1-CD2 4.04Å; V488-L538 HydrophobicContact CG2-CD2 3.97Å; V488-F629 HydrophobicContact CG1-CD1 4.19Å; V488-F629 HydrophobicContact CG1-CE1 3.72Å
489T83.3Confident74.2Confident38 Ų3856.1 Ų56.123%0.23330%0.296CS..EExtended strand (participates in β ladder)trans-74.7126.1178.2-52.10000110.4F491 F629T489-F491 HydrophobicContact CG2-CE2 4.19Å; T489-F491 HydrophobicContact CG2-CZ 4.11Å; T489-F629 WeakPolarHBondContact O-CD1 3.39Å
490R85.9Confident74.8Confident8 Ų856 Ų563%0.0330%0.296CS..EExtended strand (participates in β ladder)trans-124.2136.6172.8-173.7176.7178.2159.62.1109.8S475 I512 N537 M628S475-R490 PolarHBondContact N-O 2.88Å; S475-R490 PolarHBondContact O-N 3.19Å; S475-R490 VanDerWaalsContact O-O 3.14Å; S475-R490 PolarHBondContact OG-O 3.34Å; R490-I512 VanDerWaalsContact NH2-CD1 3.33Å; R490-N537 PolarHBondContact NH1-OD1 2.68Å; R490-M628 WeakPolarHBondContact CA-O 3.5Å; R490-M628 HydrophobicContact CG-CB 4.28Å; R490-M628 VanDerWaalsContact CZ-SD 3.5Å; R490-M628 PolarHBondContact NH2-SD 3.45Å
491F86.6Confident75.8Confident24 Ų2456.1 Ų56.111%0.10529%0.288CS..EExtended strand (participates in β ladder)trans-99.7138.3179-64.1-84.6000110.4T472 E474 T489 M628 F629 L630T472-F491 HydrophobicContact CG2-CB 3.77Å; T472-F491 HydrophobicContact CG2-CD1 3.93Å; T472-F491 HydrophobicContact CG2-CG 4.33Å; E474-F491 HydrophobicContact CG-CD1 3.87Å; E474-F491 HydrophobicContact CG-CE1 3.64Å; E474-F491 WeakPolarHBondContact OE1-CE1 3.45Å; T489-F491 HydrophobicContact CG2-CE2 4.19Å; T489-F491 HydrophobicContact CG2-CZ 4.11Å; F491-M628 PolarHBondContact N-O 2.77Å; F491-F629 WeakPolarHBondContact CE2-O 3.37Å; F491-L630 VanDerWaalsContact CD2-O 3.25Å; F491-L630 WeakPolarHBondContact CD2-O 3.49Å
492Q84.3Confident77.2Confident63 Ų6354.9 Ų54.929%0.29427%0.274SS..EExtended strand (participates in β ladder)trans-134.3135.8179.4-168.4171.65.900111.1T472 T473T472-Q492 WeakPolarHBondContact CA-O 3.17Å; T472-Q492 WeakPolarHBondContact CG2-O 3.46Å; T473-Q492 PolarHBondContact N-O 2.76Å; T473-Q492 PolarHBondContact O-N 2.72Å; T473-Q492 PolarHBondContact OG1-O 2.78Å
493S85.3Confident78.7Confident11 Ų1152.9 Ų52.98%0.07726%0.26CS..  trans-154.6165.4169.886.70000108.7E495 R496 C497S493-E495 VanDerWaalsContact C-N 3.26Å; S493-E495 WeakPolarHBondContact CB-OE2 3.35Å; S493-E495 PolarHBondContact O-N 2.85Å; S493-E495 PolarHBondContact OG-N 2.74Å; S493-E495 PolarHBondContact OG-OE2 3.09Å; S493-R496 PolarHBondContact O-N 3.18Å; S493-R496 PolarHBondContact OG-N 2.93Å; S493-R496 VanDerWaalsContact OG-N 3.11Å; S493-C497 WeakPolarHBondContact O-CB 3.37Å; S493-C497 PolarHBondContact O-N 3.13Å; S493-C497 PolarHBondContact O-SG 2.64Å
494D81.9Confident80.3Confident140 Ų14045.8 Ų45.875%0.74923%0.226SC*.Hα-helixtrans-61.3-37.3176.5-73.9-23.5000111.7C497 L498D494-C497 PolarHBondContact O-N 2.89Å; D494-L498 WeakPolarHBondContact O-CB 3.41Å; D494-L498 PolarHBondContact O-N 3.37Å
495E83.9Confident81.3Confident44 Ų4437.7 Ų37.721%0.20620%0.195CC..Hα-helixtrans-66.7-41.8176.3-58.379-170.600111.8I465 S493 L498 A499I465-E495 HydrophobicContact CG2-CB 3.8Å; I465-E495 HydrophobicContact CG2-CG 4.41Å; I465-E495 WeakPolarHBondContact CG2-O 3.47Å; S493-E495 VanDerWaalsContact C-N 3.26Å; S493-E495 WeakPolarHBondContact CB-OE2 3.35Å; S493-E495 PolarHBondContact O-N 2.85Å; S493-E495 PolarHBondContact OG-N 2.74Å; S493-E495 PolarHBondContact OG-OE2 3.09Å; E495-L498 PolarHBondContact O-N 3.2Å; E495-A499 WeakPolarHBondContact O-CB 3.45Å; E495-A499 PolarHBondContact O-N 3.02Å
496R87.3Confident82.3Confident3 Ų329.8 Ų29.81%0.01116%0.158CC..Hα-helixtrans-65.7-40.9175.2-70.3173.1178.8-110.97111S493 L498 A499 L500 C627 L630 D632 L635S493-R496 PolarHBondContact O-N 3.18Å; S493-R496 PolarHBondContact OG-N 2.93Å; S493-R496 VanDerWaalsContact OG-N 3.11Å; R496-L498 VanDerWaalsContact C-N 3.33Å; R496-L498 PolarHBondContact O-N 3.02Å; R496-A499 PolarHBondContact O-N 3.01Å; R496-L500 WeakPolarHBondContact O-CB 3.41Å; R496-L500 VanDerWaalsContact O-CG 3.23Å; R496-L500 WeakPolarHBondContact O-CG 3.38Å; R496-L500 PolarHBondContact O-N 3.19Å; R496-C627 WeakPolarHBondContact CD-O 3.49Å; R496-C627 PolarHBondContact NH1-O 3.02Å; R496-L630 VanDerWaalsContact CZ-O 3.26Å; R496-L630 PolarHBondContact NH1-O 2.77Å; R496-L630 PolarHBondContact NH2-O 2.93Å; R496-D632 IonicContact CZ-OD1 2.82Å; R496-D632 IonicContact NE-OD1 3.32Å; R496-D632 IonicContact NH2-OD1 3.76Å; R496-D632 PolarHBondContact NH2-OD1 2.62Å; R496-L635 HydrophobicContact CG-CD2 4.35Å
497C83.8Confident82.3Confident28 Ų2831.2 Ų31.219%0.18917%0.169CC..Hα-helixtrans-62.3-40.2174.2-71.70000111.9S493 D494 L500 R501S493-C497 WeakPolarHBondContact O-CB 3.37Å; S493-C497 PolarHBondContact O-N 3.13Å; S493-C497 PolarHBondContact O-SG 2.64Å; D494-C497 PolarHBondContact O-N 2.89Å; C497-L500 PolarHBondContact O-N 2.7Å; C497-R501 PolarHBondContact O-N 2.94Å
498L83.8Confident81.7Confident30 Ų3035.2 Ų35.216%0.15718%0.178CC..Hα-helixtrans-65.3-44.3174.6-176.663.5000111.6C442 F456 I465 D494 E495 R496 L500 R501 L502C442-L498 HydrophobicContact CB-CD1 4.36Å; F456-L498 HydrophobicContact CE1-CD2 4.09Å; F456-L498 HydrophobicContact CZ-CD2 4.18Å; I465-L498 HydrophobicContact CD1-CD2 3.88Å; I465-L498 HydrophobicContact CD1-CG 4.2Å; I465-L498 HydrophobicContact CG1-CD2 4.26Å; I465-L498 HydrophobicContact CG2-CB 4.5Å; I465-L498 HydrophobicContact CG2-CD2 4.13Å; D494-L498 WeakPolarHBondContact O-CB 3.41Å; D494-L498 PolarHBondContact O-N 3.37Å; E495-L498 PolarHBondContact O-N 3.2Å; R496-L498 VanDerWaalsContact C-N 3.33Å; R496-L498 PolarHBondContact O-N 3.02Å; L498-L500 VanDerWaalsContact C-N 3.34Å; L498-L500 PolarHBondContact O-N 3.44Å; L498-R501 WeakPolarHBondContact O-CB 3.17Å; L498-R501 PolarHBondContact O-N 3.46Å; L498-L502 WeakPolarHBondContact O-CG 3.32Å; L498-L502 PolarHBondContact O-N 3.25Å
499A88.4Confident80.3Confident0 Ų035.7 Ų35.70%019%0.187CC..Hα-helixtrans-61-42175.800000112I462 E495 R496 R501 L502 C503I462-A499 HydrophobicContact CD1-CB 4.22Å; I462-A499 HydrophobicContact CG1-CB 4.26Å; I462-A499 HydrophobicContact CG2-CB 4.03Å; E495-A499 WeakPolarHBondContact O-CB 3.45Å; E495-A499 PolarHBondContact O-N 3.02Å; R496-A499 PolarHBondContact O-N 3.01Å; A499-R501 VanDerWaalsContact C-N 3.33Å; A499-R501 PolarHBondContact O-N 2.98Å; A499-L502 PolarHBondContact O-N 2.76Å; A499-C503 PolarHBondContact O-N 2.84Å; A499-C503 PolarHBondContact O-SG 3.07Å
500L87.4Confident78.4Confident6 Ų639.7 Ų39.73%0.03121%0.214CC..Hα-helixtrans-63.6-37.2174.8-71.6167.7000112.5R496 C497 L498 C503 G504 W505 I506 A624 C627 M628R496-L500 WeakPolarHBondContact O-CB 3.41Å; R496-L500 VanDerWaalsContact O-CG 3.23Å; R496-L500 WeakPolarHBondContact O-CG 3.38Å; R496-L500 PolarHBondContact O-N 3.19Å; C497-L500 PolarHBondContact O-N 2.7Å; L498-L500 VanDerWaalsContact C-N 3.34Å; L498-L500 PolarHBondContact O-N 3.44Å; L500-C503 PolarHBondContact O-N 2.67Å; L500-G504 PolarHBondContact O-N 2.95Å; L500-W505 HydrophobicContact CD2-CE3 4.45Å; L500-W505 PolarHBondContact O-N 3.35Å; L500-W505 VanDerWaalsContact O-N 3.1Å; L500-I506 HydrophobicContact CB-CD1 3.49Å; L500-I506 VanDerWaalsContact CB-CD1 3.49Å; L500-I506 HydrophobicContact CB-CG1 4.06Å; L500-I506 HydrophobicContact CD1-CD1 3.82Å; L500-I506 HydrophobicContact CG-CD1 4.25Å; L500-A624 HydrophobicContact CD2-CB 3.73Å; L500-A624 WeakPolarHBondContact CD2-O 3.48Å; L500-C627 HydrophobicContact CD2-CB 4.24Å; L500-C627 HydrophobicContact CG-CB 4.23Å; L500-M628 HydrophobicContact CD1-CG 4.19Å; L500-M628 HydrophobicContact CD2-CG 4.03Å
501R84.6Confident76.8Confident55 Ų5545.8 Ų45.821%0.20825%0.247CC..Hα-helixtrans-64.9-42.9173.1-171.9-179.7-63.5150.98.9111.7C497 L498 A499 C503 G504C497-R501 PolarHBondContact O-N 2.94Å; L498-R501 WeakPolarHBondContact O-CB 3.17Å; L498-R501 PolarHBondContact O-N 3.46Å; A499-R501 VanDerWaalsContact C-N 3.33Å; A499-R501 PolarHBondContact O-N 2.98Å; R501-C503 VanDerWaalsContact C-N 3.28Å; R501-C503 PolarHBondContact O-N 2.95Å; R501-G504 WeakPolarHBondContact O-CA 3.44Å; R501-G504 PolarHBondContact O-N 3.3Å
502L87.5Confident75.4Confident6 Ų646.5 Ų46.53%0.03125%0.251CS..Hα-helixtrans-63.7-33.4175.6-71.7173.8000112.4M439 C442 I462 I465 L498 A499 G504 L656M439-L502 HydrophobicContact CB-CD2 4.45Å; M439-L502 HydrophobicContact CG-CD2 3.96Å; C442-L502 HydrophobicContact CB-CD2 3.96Å; I462-L502 HydrophobicContact CD1-CB 4.36Å; I462-L502 HydrophobicContact CG1-CD1 4.02Å; I465-L502 HydrophobicContact CD1-CD1 3.37Å; L498-L502 WeakPolarHBondContact O-CG 3.32Å; L498-L502 PolarHBondContact O-N 3.25Å; A499-L502 PolarHBondContact O-N 2.76Å; L502-G504 PolarHBondContact O-N 3.1Å; L502-L656 HydrophobicContact CB-CD1 4.08Å
503C88.1Confident74.7Confident1 Ų147.2 Ų47.21%0.00726%0.257CS..THydrogen-bonded Turntrans-72.5-6.3172.6-610000113.3A499 L500 R501 R620 A624A499-C503 PolarHBondContact O-N 2.84Å; A499-C503 PolarHBondContact O-SG 3.07Å; L500-C503 PolarHBondContact O-N 2.67Å; R501-C503 VanDerWaalsContact C-N 3.28Å; R501-C503 PolarHBondContact O-N 2.95Å; C503-R620 HydrophobicContact CB-CB 4.29Å; C503-R620 PolarHBondContact SG-O 2.93Å; C503-R620 VanDerWaalsContact SG-O 3.34Å; C503-A624 HydrophobicContact CB-CB 3.87Å
504G80.9Confident74.5Confident14 Ų1447.2 Ų47.214%0.14426%0.256CS..THydrogen-bonded Turntrans81.47.1179.400000115.1L500 R501 L502 F517L500-G504 PolarHBondContact O-N 2.95Å; R501-G504 WeakPolarHBondContact O-CA 3.44Å; R501-G504 PolarHBondContact O-N 3.3Å; L502-G504 PolarHBondContact O-N 3.1Å; G504-F517 WeakPolarHBondContact O-CD2 3.36Å; G504-F517 WeakPolarHBondContact O-CG 3.18Å
505W79.5Confident74.7Confident2 Ų242.9 Ų42.91%0.00823%0.232CC..  trans-79.2-20.8-174.6-81.736.3000114.4L500 F517 I533 F536 N537 D621 A624 M628L500-W505 HydrophobicContact CD2-CE3 4.45Å; L500-W505 PolarHBondContact O-N 3.35Å; L500-W505 VanDerWaalsContact O-N 3.1Å; W505-F517 AromaticContact CD1-CE1 3.6Å; W505-F517 HydrophobicContact CG-CD1 4.47Å; W505-F517 HydrophobicContact CG-CE1 4.2Å; W505-F517 AromaticContact NE1-CE1 3.99Å; W505-I533 HydrophobicContact CD2-CG2 4.13Å; W505-I533 HydrophobicContact CE3-CG2 4.15Å; W505-I533 HydrophobicContact CH2-CG1 4.4Å; W505-I533 HydrophobicContact CH2-CG2 4.25Å; W505-I533 HydrophobicContact CZ2-CB 4.49Å; W505-I533 HydrophobicContact CZ2-CG1 3.84Å; W505-I533 HydrophobicContact CZ2-CG2 4.19Å; W505-I533 HydrophobicContact CZ3-CG2 4.17Å; W505-F536 HydrophobicContact CH2-CB 3.84Å; W505-F536 AromaticContact CH2-CD2 3.67Å; W505-F536 HydrophobicContact CH2-CD2 3.67Å; W505-F536 HydrophobicContact CH2-CG 4.23Å; W505-F536 HydrophobicContact CZ2-CD2 4.21Å; W505-F536 HydrophobicContact CZ3-CB 4.14Å; W505-N537 WeakPolarHBondContact CZ3-ND2 3.32Å; W505-D621 HydrophobicContact CZ2-CB 4.17Å; W505-D621 PolarHBondContact NE1-OD1 3.12Å; W505-A624 HydrophobicContact CD2-CB 3.53Å; W505-A624 HydrophobicContact CE3-CB 4.02Å; W505-A624 HydrophobicContact CG-CB 3.93Å; W505-A624 HydrophobicContact CH2-CB 4.06Å; W505-A624 HydrophobicContact CZ2-CB 3.61Å; W505-A624 HydrophobicContact CZ3-CB 4.29Å; W505-M628 HydrophobicContact CE3-CE 4.17Å; W505-M628 HydrophobicContact CE3-SD 4.34Å; W505-M628 HydrophobicContact CH2-CE 3.68Å; W505-M628 HydrophobicContact CZ3-CE 3.19Å; W505-M628 HydrophobicContact CZ3-SD 3.86Å
506I73.6Confident74.7Confident15 Ų1544.4 Ų44.48%0.07724%0.244CC..  trans-131131-173.6-50.9175.3000110.1L500 I512L500-I506 HydrophobicContact CB-CD1 3.49Å; L500-I506 VanDerWaalsContact CB-CD1 3.49Å; L500-I506 HydrophobicContact CB-CG1 4.06Å; L500-I506 HydrophobicContact CD1-CD1 3.82Å; L500-I506 HydrophobicContact CG-CD1 4.25Å; I506-I512 HydrophobicContact CD1-CB 4.23Å; I506-I512 HydrophobicContact CD1-CD1 4.34Å; I506-I512 HydrophobicContact CD1-CG1 3.98Å; I506-I512 HydrophobicContact CD1-CG2 3.65Å; I506-I512 HydrophobicContact CG1-CG2 3.71Å
507S62.8Low74.6Confident55 Ų5545.6 Ų45.639%0.38525%0.249SC..  trans-81176174.7-64.30000112.5G509S507-G509 PolarHBondContact O-N 2.93Å; S507-G509 VanDerWaalsContact O-N 3.13Å
508R56.8Low74.9Confident176 Ų17644.6 Ų44.666%0.66424%0.242SC*.SBendtrans-60114.9-178.7-76.1-177.2171.41710.9111.9D445D445-R508 VanDerWaalsContact CG-NH2 3.28Å; D445-R508 IonicContact OD1-CZ 2.72Å; D445-R508 IonicContact OD1-NE 3.78Å; D445-R508 IonicContact OD1-NH2 3.31Å; D445-R508 PolarHBondContact OD1-NH2 3.42Å; D445-R508 IonicContact OD2-CZ 3.61Å; D445-R508 VanDerWaalsContact OD2-CZ 3.3Å; D445-R508 IonicContact OD2-NE 2.8Å; D445-R508 PolarHBondContact OD2-NE 2.96Å; D445-R508 IonicContact OD2-NH2 3.7Å; D445-R508 PolarHBondContact OD2-NH2 3.24Å
509G51Low75.1Confident31 Ų3150 Ų5032%0.3226%0.26SS..SBendtrans158.8169.9173.800000113.5S507S507-G509 PolarHBondContact O-N 2.93Å; S507-G509 VanDerWaalsContact O-N 3.13Å
510P43.5Very low75.1Confident122 Ų12252 Ų5279%0.79227%0.274SS*.SBendtrans-79.2-21.6170.931.4-32.2000113
511D52.1Low75.1Confident136 Ų13651.8 Ų51.873%0.72727%0.273SS*.SBendtrans-89.1132.5175.6-70.8-36.7000111.1D513D511-D513 VanDerWaalsContact C-N 3.27Å; D511-D513 PolarHBondContact O-N 2.99Å
512I57.9Low75.4Confident39 Ų3949.9 Ų49.920%0.227%0.267CS..  trans-73.878.2178.1-50.8-177.6000108.7R490 I506 V514R490-I512 VanDerWaalsContact NH2-CD1 3.33Å; I506-I512 HydrophobicContact CD1-CB 4.23Å; I506-I512 HydrophobicContact CD1-CD1 4.34Å; I506-I512 HydrophobicContact CD1-CG1 3.98Å; I506-I512 HydrophobicContact CD1-CG2 3.65Å; I506-I512 HydrophobicContact CG1-CG2 3.71Å; I512-V514 HydrophobicContact CG2-CG2 3.52Å; I512-V514 PolarHBondContact O-N 3.4Å
513D68.6Low75.5Confident77 Ų7757.2 Ų57.241%0.41230%0.301SS..  trans-85.189.4172.5-177.827.1000111.1D511 E515 T516D511-D513 VanDerWaalsContact C-N 3.27Å; D511-D513 PolarHBondContact O-N 2.99Å; D513-E515 VanDerWaalsContact C-N 3.32Å; D513-E515 WeakPolarHBondContact OD1-CB 3.36Å; D513-E515 PolarHBondContact OD1-N 3.27Å; D513-T516 PolarHBondContact OD2-OG1 3.43Å; D513-T516 VanDerWaalsContact OD2-OG1 3.09Å
514V81.9Confident75.5Confident11 Ų1162.4 Ų62.47%0.06733%0.325CS..  trans-79.4-17.1177.3-174.10000111.7I512 T516 F517 L518 I533I512-V514 HydrophobicContact CG2-CG2 3.52Å; I512-V514 PolarHBondContact O-N 3.4Å; V514-T516 VanDerWaalsContact C-N 3.31Å; V514-T516 PolarHBondContact O-N 2.92Å; V514-F517 WeakPolarHBondContact O-CB 3.36Å; V514-F517 PolarHBondContact O-N 3.39Å; V514-L518 HydrophobicContact CG1-CD1 4.33Å; V514-L518 HydrophobicContact CG1-CD2 4.48Å; V514-L518 HydrophobicContact CG1-CG 4.06Å; V514-L518 WeakPolarHBondContact O-CG 3.43Å; V514-L518 PolarHBondContact O-N 3.2Å; V514-I533 HydrophobicContact CG1-CG2 3.93Å
515E85.4Confident75.8Confident50 Ų5070.3 Ų70.323%0.23435%0.35CS..Hα-helixtrans-63.2-37.1-173.4178.158.8-15600112D513 F517 L518 R519 R542D513-E515 VanDerWaalsContact C-N 3.32Å; D513-E515 WeakPolarHBondContact OD1-CB 3.36Å; D513-E515 PolarHBondContact OD1-N 3.27Å; E515-F517 VanDerWaalsContact C-N 3.29Å; E515-F517 PolarHBondContact O-N 3.16Å; E515-L518 PolarHBondContact O-N 3.03Å; E515-R519 WeakPolarHBondContact O-CG 3.35Å; E515-R519 PolarHBondContact O-N 3.44Å; E515-R519 IonicContact OE1-CZ 3.12Å; E515-R519 IonicContact OE1-NE 2.68Å; E515-R519 PolarHBondContact OE1-NE 3.01Å; E515-R519 IonicContact OE1-NH2 3.07Å; E515-R542 IonicContact OE1-CZ 2.84Å; E515-R542 IonicContact OE1-NE 2.92Å; E515-R542 IonicContact OE1-NH2 3.62Å; E515-R542 PolarHBondContact OE1-NH2 2.69Å; E515-R542 IonicContact OE2-CZ 3.81Å; E515-R542 IonicContact OE2-NE 3.64Å; E515-R542 PolarHBondContact OE2-NE 3.05Å; E515-R542 IonicContact OE2-NH2 2.69Å; E515-R542 PolarHBondContact OE2-NH2 3.07Å
516T84.3Confident76.3Confident75 Ų7574.4 Ų74.446%0.4637%0.37SS..Hα-helixtrans-60.2-40.9175.1-60.60000111.6D513 V514 S520D513-T516 PolarHBondContact OD2-OG1 3.43Å; D513-T516 VanDerWaalsContact OD2-OG1 3.09Å; V514-T516 VanDerWaalsContact C-N 3.31Å; V514-T516 PolarHBondContact O-N 2.92Å; T516-S520 PolarHBondContact O-N 3.23Å
517F84.7Confident77.2Confident28 Ų2875 Ų7512%0.12337%0.371CS..Hα-helixtrans-70.3-43.8177.1-178.9-127.9000111.6G504 W505 V514 E515 R519 S520 L521 I533G504-F517 WeakPolarHBondContact O-CD2 3.36Å; G504-F517 WeakPolarHBondContact O-CG 3.18Å; W505-F517 AromaticContact CD1-CE1 3.6Å; W505-F517 HydrophobicContact CG-CD1 4.47Å; W505-F517 HydrophobicContact CG-CE1 4.2Å; W505-F517 AromaticContact NE1-CE1 3.99Å; V514-F517 WeakPolarHBondContact O-CB 3.36Å; V514-F517 PolarHBondContact O-N 3.39Å; E515-F517 VanDerWaalsContact C-N 3.29Å; E515-F517 PolarHBondContact O-N 3.16Å; F517-R519 VanDerWaalsContact C-N 3.28Å; F517-R519 PolarHBondContact O-N 3.37Å; F517-S520 PolarHBondContact O-N 3.19Å; F517-S520 PolarHBondContact O-OG 3.25Å; F517-L521 HydrophobicContact CD1-CD1 4.33Å; F517-L521 HydrophobicContact CE1-CD1 3.96Å; F517-L521 HydrophobicContact CE2-CD1 4.4Å; F517-L521 HydrophobicContact CE2-CD2 4.44Å; F517-L521 HydrophobicContact CE2-CG 4.31Å; F517-L521 HydrophobicContact CZ-CD1 3.99Å; F517-L521 HydrophobicContact CZ-CD2 4.44Å; F517-L521 HydrophobicContact CZ-CG 4.34Å; F517-L521 PolarHBondContact O-N 3.24Å; F517-L521 VanDerWaalsContact O-N 3.11Å; F517-I533 HydrophobicContact CD1-CG2 4.42Å; F517-I533 HydrophobicContact CE1-CD1 3.78Å; F517-I533 HydrophobicContact CE1-CG2 4.48Å; F517-I533 HydrophobicContact CZ-CD1 4.44Å
518L89.3Confident78.6Confident7 Ų773.9 Ų73.94%0.03736%0.36CS..Hα-helixtrans-56.8-42.3174.9-66175.1000112.1V514 E515 S520 L521 E522 A530 I533 A534 R542 I546V514-L518 HydrophobicContact CG1-CD1 4.33Å; V514-L518 HydrophobicContact CG1-CD2 4.48Å; V514-L518 HydrophobicContact CG1-CG 4.06Å; V514-L518 WeakPolarHBondContact O-CG 3.43Å; V514-L518 PolarHBondContact O-N 3.2Å; E515-L518 PolarHBondContact O-N 3.03Å; L518-S520 VanDerWaalsContact C-N 3.33Å; L518-S520 PolarHBondContact O-N 3.44Å; L518-L521 PolarHBondContact O-N 2.94Å; L518-E522 WeakPolarHBondContact O-CG 3.23Å; L518-E522 PolarHBondContact O-N 3.33Å; L518-A530 HydrophobicContact CD2-CB 4.38Å; L518-A530 WeakPolarHBondContact CD2-O 3.36Å; L518-I533 HydrophobicContact CD2-CB 3.98Å; L518-I533 HydrophobicContact CD2-CG2 3.9Å; L518-A534 HydrophobicContact CD1-CB 3.87Å; L518-A534 HydrophobicContact CD2-CB 4.18Å; L518-R542 HydrophobicContact CD1-CG 4.31Å; L518-I546 HydrophobicContact CD1-CD1 4.46Å; L518-I546 HydrophobicContact CD2-CD1 4.41Å
519R88.9Confident80.3Confident144 Ų14467 Ų6754%0.54333%0.334SS..Hα-helixtrans-62.5-37.5175.8-73.2179.5-177.2-165.10.9112.9E515 F517 E522 Q523E515-R519 WeakPolarHBondContact O-CG 3.35Å; E515-R519 PolarHBondContact O-N 3.44Å; E515-R519 IonicContact OE1-CZ 3.12Å; E515-R519 IonicContact OE1-NE 2.68Å; E515-R519 PolarHBondContact OE1-NE 3.01Å; E515-R519 IonicContact OE1-NH2 3.07Å; F517-R519 VanDerWaalsContact C-N 3.28Å; F517-R519 PolarHBondContact O-N 3.37Å; R519-E522 PolarHBondContact O-N 3.14Å; R519-Q523 VanDerWaalsContact O-CG 3.28Å; R519-Q523 WeakPolarHBondContact O-CG 3.27Å; R519-Q523 PolarHBondContact O-N 2.97Å
520S88.2Confident82.3Confident41 Ų4165.5 Ų65.529%0.28732%0.318SS..Hα-helixtrans-64.2-41.7174.768.70000112.2T516 F517 L518 Q523 E524T516-S520 PolarHBondContact O-N 3.23Å; F517-S520 PolarHBondContact O-N 3.19Å; F517-S520 PolarHBondContact O-OG 3.25Å; L518-S520 VanDerWaalsContact C-N 3.33Å; L518-S520 PolarHBondContact O-N 3.44Å; S520-Q523 WeakPolarHBondContact O-CB 3.46Å; S520-Q523 PolarHBondContact O-N 2.85Å; S520-E524 WeakPolarHBondContact O-CG 3.3Å; S520-E524 PolarHBondContact O-N 2.85Å
521L88.2Confident84.7Confident2 Ų259.7 Ų59.71%0.0128%0.281CS..Hα-helixtrans-66.7-39.1176.5-66.5172.6000112.2F517 L518 Q523 E524 R525 E526 R529 A530 I533F517-L521 HydrophobicContact CD1-CD1 4.33Å; F517-L521 HydrophobicContact CE1-CD1 3.96Å; F517-L521 HydrophobicContact CE2-CD1 4.4Å; F517-L521 HydrophobicContact CE2-CD2 4.44Å; F517-L521 HydrophobicContact CE2-CG 4.31Å; F517-L521 HydrophobicContact CZ-CD1 3.99Å; F517-L521 HydrophobicContact CZ-CD2 4.44Å; F517-L521 HydrophobicContact CZ-CG 4.34Å; F517-L521 PolarHBondContact O-N 3.24Å; F517-L521 VanDerWaalsContact O-N 3.11Å; L518-L521 PolarHBondContact O-N 2.94Å; L521-Q523 VanDerWaalsContact C-N 3.3Å; L521-Q523 PolarHBondContact O-N 3.46Å; L521-E524 CarbonylContact O-C 3.6Å; L521-E524 PolarHBondContact O-N 3.08Å; L521-R525 PolarHBondContact O-N 3.02Å; L521-E526 HydrophobicContact CB-CB 4.37Å; L521-E526 HydrophobicContact CD2-CB 4.28Å; L521-E526 PolarHBondContact O-N 3.06Å; L521-R529 HydrophobicContact CD1-CG 4.26Å; L521-A530 HydrophobicContact CB-CB 3.77Å; L521-A530 HydrophobicContact CD1-CB 4.2Å; L521-I533 HydrophobicContact CD1-CD1 3.49Å; L521-I533 VanDerWaalsContact CD1-CD1 3.49Å
522E90.3Very high86.7Confident16 Ų1653.2 Ų53.28%0.07525%0.246CC..Hα-helixtrans-61.4-37.5172.3-72.7-175-146.100112.2L518 R519 R525 W527 R542 I546 K549L518-E522 WeakPolarHBondContact O-CG 3.23Å; L518-E522 PolarHBondContact O-N 3.33Å; R519-E522 PolarHBondContact O-N 3.14Å; E522-R525 PolarHBondContact O-N 3.41Å; E522-R525 VanDerWaalsContact O-N 3.17Å; E522-W527 HydrophobicContact CB-CE3 4.49Å; E522-W527 HydrophobicContact CB-CH2 4.37Å; E522-W527 HydrophobicContact CB-CZ3 3.87Å; E522-W527 HydrophobicContact CG-CE3 4.14Å; E522-W527 HydrophobicContact CG-CZ3 3.76Å; E522-R542 IonicContact OE1-CZ 3.67Å; E522-R542 IonicContact OE1-NH1 3.52Å; E522-R542 PolarHBondContact OE1-NH1 3.36Å; E522-R542 IonicContact OE1-NH2 3.71Å; E522-R542 PolarHBondContact OE1-NH2 3.26Å; E522-I546 HydrophobicContact CG-CG2 4.49Å; E522-I546 WeakPolarHBondContact OE1-CG1 3.31Å; E522-K549 IonicContact OE2-NZ 3.94Å; E522-K549 PolarHBondContact OE2-NZ 3Å
523Q89.6Confident88.4Confident159 Ų15951.4 Ų51.474%0.74324%0.237SC*.Hα-helixtrans-67.3-38.4175.3-73.1170.610.900111.9R519 S520 L521 R525R519-Q523 VanDerWaalsContact O-CG 3.28Å; R519-Q523 WeakPolarHBondContact O-CG 3.27Å; R519-Q523 PolarHBondContact O-N 2.97Å; S520-Q523 WeakPolarHBondContact O-CB 3.46Å; S520-Q523 PolarHBondContact O-N 2.85Å; L521-Q523 VanDerWaalsContact C-N 3.3Å; L521-Q523 PolarHBondContact O-N 3.46Å; Q523-R525 PolarHBondContact O-N 3.31Å
524E87.1Confident89.5Confident111 Ų11147.8 Ų47.852%0.51922%0.218SC..THydrogen-bonded Turntrans-73.4-4.8172.9-67.6-174171.700113.2S520 L521 E526S520-E524 WeakPolarHBondContact O-CG 3.3Å; S520-E524 PolarHBondContact O-N 2.85Å; L521-E524 CarbonylContact O-C 3.6Å; L521-E524 PolarHBondContact O-N 3.08Å; E524-E526 VanDerWaalsContact C-N 3.28Å; E524-E526 HydrophobicContact CB-CG 4.28Å; E524-E526 PolarHBondContact O-N 3.12Å
525R87.9Confident89.9Confident180 Ų18047.3 Ų47.368%0.67922%0.215SC*.THydrogen-bonded Turntrans64.825.3-177.3-51.2-178.7178.8-159.4-0.6114.4L521 E522 Q523 W527L521-R525 PolarHBondContact O-N 3.02Å; E522-R525 PolarHBondContact O-N 3.41Å; E522-R525 VanDerWaalsContact O-N 3.17Å; Q523-R525 PolarHBondContact O-N 3.31Å; R525-W527 VanDerWaalsContact C-N 3.31Å; R525-W527 PolarHBondContact O-N 2.9Å; R525-W527 VanDerWaalsContact O-N 3.17Å
526E89.8Confident90.2Very high88 Ų8845 Ų4541%0.41120%0.204SC..  trans-87.764.1175.9-71-72.6172.700110.5L521 E524 E528 R529 A530L521-E526 HydrophobicContact CB-CB 4.37Å; L521-E526 HydrophobicContact CD2-CB 4.28Å; L521-E526 PolarHBondContact O-N 3.06Å; E524-E526 VanDerWaalsContact C-N 3.28Å; E524-E526 HydrophobicContact CB-CG 4.28Å; E524-E526 PolarHBondContact O-N 3.12Å; E526-E528 PolarHBondContact O-N 2.86Å; E526-R529 HydrophobicContact CB-CB 4.35Å; E526-A530 WeakPolarHBondContact O-CB 2.94Å; E526-A530 PolarHBondContact O-N 2.87Å
527W92.3Very high90.4Very high26 Ų2642.7 Ų42.710%0.09819%0.189CC..Hα-helixtrans-64.1-42.4-169.6-55105000113.2E522 R525 A530 A531 I546 K549 G550 T553 L560E522-W527 HydrophobicContact CB-CE3 4.49Å; E522-W527 HydrophobicContact CB-CH2 4.37Å; E522-W527 HydrophobicContact CB-CZ3 3.87Å; E522-W527 HydrophobicContact CG-CE3 4.14Å; E522-W527 HydrophobicContact CG-CZ3 3.76Å; R525-W527 VanDerWaalsContact C-N 3.31Å; R525-W527 PolarHBondContact O-N 2.9Å; R525-W527 VanDerWaalsContact O-N 3.17Å; W527-A530 PolarHBondContact O-N 2.87Å; W527-A531 VanDerWaalsContact O-CB 3.31Å; W527-A531 WeakPolarHBondContact O-CB 3.27Å; W527-A531 PolarHBondContact O-N 3.2Å; W527-I546 HydrophobicContact CE3-CG2 4.15Å; W527-I546 WeakPolarHBondContact O-CG2 3.38Å; W527-K549 HydrophobicContact CH2-CD 4.25Å; W527-K549 HydrophobicContact CH2-CG 4.16Å; W527-K549 HydrophobicContact CZ3-CB 4.37Å; W527-K549 HydrophobicContact CZ3-CD 3.93Å; W527-K549 HydrophobicContact CZ3-CG 3.98Å; W527-G550 VanDerWaalsContact CD2-CA 3.48Å; W527-T553 HydrophobicContact CZ2-CG2 4.11Å; W527-L560 HydrophobicContact CB-CD1 4.46Å
528E93.1Very high90.6Very high33 Ų3341.5 Ų41.515%0.15418%0.184CC..Hα-helixtrans-66-45.4-177.7-60.795.3135.300111.2E526 A531 A532 L560 N591 L594E526-E528 PolarHBondContact O-N 2.86Å; E528-A531 PolarHBondContact O-N 3.48Å; E528-A532 WeakPolarHBondContact O-CB 3.34Å; E528-A532 PolarHBondContact O-N 2.8Å; E528-L560 HydrophobicContact CG-CD2 3.51Å; E528-N591 HydrophobicContact CG-CB 4.49Å; E528-N591 VanDerWaalsContact CG-ND2 3.29Å; E528-N591 WeakPolarHBondContact CG-ND2 3.23Å; E528-N591 PolarHBondContact OE1-ND2 3.45Å; E528-L594 HydrophobicContact CB-CD2 4Å; E528-L594 HydrophobicContact CB-CG 4.17Å; E528-L594 HydrophobicContact CG-CD1 4.1Å; E528-L594 HydrophobicContact CG-CD2 3.8Å; E528-L594 HydrophobicContact CG-CG 3.84Å
529R92.9Very high90.5Very high31 Ų3143.7 Ų43.712%0.11720%0.196CC..Hα-helixtrans-63.7-46.7176.4-178.5172.6-175.4-131.8-11.8111L521 E526 A531 A532 I533 Y593 D621L521-R529 HydrophobicContact CD1-CG 4.26Å; E526-R529 HydrophobicContact CB-CB 4.35Å; R529-A531 PolarHBondContact O-N 3.49Å; R529-A532 PolarHBondContact O-N 2.86Å; R529-I533 HydrophobicContact CG-CD1 3.74Å; R529-I533 WeakPolarHBondContact O-CD1 3.47Å; R529-I533 VanDerWaalsContact O-CG1 3.26Å; R529-I533 WeakPolarHBondContact O-CG1 3.39Å; R529-I533 PolarHBondContact O-N 2.87Å; R529-Y593 HydrophobicContact CB-CD1 4.09Å; R529-Y593 HydrophobicContact CB-CD2 4.12Å; R529-Y593 HydrophobicContact CB-CE1 4.09Å; R529-Y593 HydrophobicContact CB-CE2 4.13Å; R529-Y593 HydrophobicContact CB-CG 4.1Å; R529-Y593 HydrophobicContact CG-CD1 4.1Å; R529-Y593 HydrophobicContact CG-CE1 3.65Å; R529-Y593 HydrophobicContact CG-CE2 4.22Å; R529-D621 IonicContact CZ-OD1 3.44Å; R529-D621 IonicContact CZ-OD2 3.33Å; R529-D621 VanDerWaalsContact CZ-OD2 3.31Å; R529-D621 IonicContact NE-OD2 3.05Å; R529-D621 PolarHBondContact NE-OD2 2.86Å; R529-D621 IonicContact NH2-OD1 3.46Å; R529-D621 PolarHBondContact NH2-OD1 3.03Å; R529-D621 VanDerWaalsContact NH2-OD1 3.07Å; R529-D621 IonicContact NH2-OD2 3Å; R529-D621 PolarHBondContact NH2-OD2 3.4Å
530A92.7Very high90.6Very high0 Ų037.5 Ų37.50%017%0.173CC..Hα-helixtrans-59.5-45.3176.500000112L518 L521 E526 W527 I533 A534 I546L518-A530 HydrophobicContact CD2-CB 4.38Å; L518-A530 WeakPolarHBondContact CD2-O 3.36Å; L521-A530 HydrophobicContact CB-CB 3.77Å; L521-A530 HydrophobicContact CD1-CB 4.2Å; E526-A530 WeakPolarHBondContact O-CB 2.94Å; E526-A530 PolarHBondContact O-N 2.87Å; W527-A530 PolarHBondContact O-N 2.87Å; A530-I533 PolarHBondContact O-N 3.24Å; A530-A534 WeakPolarHBondContact O-CB 3.44Å; A530-A534 PolarHBondContact O-N 2.98Å; A530-I546 HydrophobicContact CB-CD1 4.24Å; A530-I546 HydrophobicContact CB-CG2 3.88Å
531A94.3Very high90.7Very high0 Ų042 Ų420%018%0.184CC..Hα-helixtrans-64.1-41.7178.600000112.5W527 E528 R529 A534 L535 A543 I546 L547 M597W527-A531 VanDerWaalsContact O-CB 3.31Å; W527-A531 WeakPolarHBondContact O-CB 3.27Å; W527-A531 PolarHBondContact O-N 3.2Å; E528-A531 PolarHBondContact O-N 3.48Å; R529-A531 PolarHBondContact O-N 3.49Å; A531-A534 PolarHBondContact O-N 3.14Å; A531-L535 WeakPolarHBondContact O-CB 3.35Å; A531-L535 PolarHBondContact O-N 3.46Å; A531-A543 WeakPolarHBondContact O-CB 3.49Å; A531-I546 HydrophobicContact CB-CB 4.3Å; A531-I546 HydrophobicContact CB-CG2 4.05Å; A531-L547 HydrophobicContact CB-CD1 4.25Å; A531-L547 HydrophobicContact CB-CD2 3.54Å; A531-L547 HydrophobicContact CB-CG 3.57Å; A531-M597 HydrophobicContact CB-CE 3.97Å; A531-M597 HydrophobicContact CB-SD 4.24Å
532A94.3Very high90.9Very high0 Ų043.7 Ų43.70%019%0.19CC..Hα-helixtrans-62.2-43.3175.500000111.9E528 R529 L535 F536 Y593 M597E528-A532 WeakPolarHBondContact O-CB 3.34Å; E528-A532 PolarHBondContact O-N 2.8Å; R529-A532 PolarHBondContact O-N 2.86Å; A532-L535 WeakPolarHBondContact O-CB 3.38Å; A532-L535 PolarHBondContact O-N 2.94Å; A532-F536 HydrophobicContact CB-CE2 4.25Å; A532-F536 HydrophobicContact CB-CZ 4.46Å; A532-F536 VanDerWaalsContact O-CD2 3.24Å; A532-F536 WeakPolarHBondContact O-CD2 3.38Å; A532-F536 WeakPolarHBondContact O-CG 3.34Å; A532-F536 PolarHBondContact O-N 3.46Å; A532-Y593 HydrophobicContact CB-CD1 3.96Å; A532-M597 HydrophobicContact CB-CG 3.77Å; A532-M597 HydrophobicContact CB-SD 4.17Å
533I92.2Very high91Very high0 Ų042.9 Ų42.90%019%0.186CC..Hα-helixtrans-67-38.7178.6-65.9160000111.7W505 V514 F517 L518 L521 R529 A530 L535 F536 N537W505-I533 HydrophobicContact CD2-CG2 4.13Å; W505-I533 HydrophobicContact CE3-CG2 4.15Å; W505-I533 HydrophobicContact CH2-CG1 4.4Å; W505-I533 HydrophobicContact CH2-CG2 4.25Å; W505-I533 HydrophobicContact CZ2-CB 4.49Å; W505-I533 HydrophobicContact CZ2-CG1 3.84Å; W505-I533 HydrophobicContact CZ2-CG2 4.19Å; W505-I533 HydrophobicContact CZ3-CG2 4.17Å; V514-I533 HydrophobicContact CG1-CG2 3.93Å; F517-I533 HydrophobicContact CD1-CG2 4.42Å; F517-I533 HydrophobicContact CE1-CD1 3.78Å; F517-I533 HydrophobicContact CE1-CG2 4.48Å; F517-I533 HydrophobicContact CZ-CD1 4.44Å; L518-I533 HydrophobicContact CD2-CB 3.98Å; L518-I533 HydrophobicContact CD2-CG2 3.9Å; L521-I533 HydrophobicContact CD1-CD1 3.49Å; L521-I533 VanDerWaalsContact CD1-CD1 3.49Å; R529-I533 HydrophobicContact CG-CD1 3.74Å; R529-I533 WeakPolarHBondContact O-CD1 3.47Å; R529-I533 VanDerWaalsContact O-CG1 3.26Å; R529-I533 WeakPolarHBondContact O-CG1 3.39Å; R529-I533 PolarHBondContact O-N 2.87Å; A530-I533 PolarHBondContact O-N 3.24Å; I533-L535 VanDerWaalsContact C-N 3.33Å; I533-F536 PolarHBondContact O-N 3.07Å; I533-N537 PolarHBondContact O-N 3.23Å; I533-N537 VanDerWaalsContact O-N 3.14Å; I533-N537 PolarHBondContact O-ND2 2.74Å
534A91.4Very high91.1Very high2 Ų237.3 Ų37.32%0.01716%0.161CC..Hα-helixtrans-61.3-43.817300000111.2L518 A530 A531 N537 D539 R542 A543 I546L518-A534 HydrophobicContact CD1-CB 3.87Å; L518-A534 HydrophobicContact CD2-CB 4.18Å; A530-A534 WeakPolarHBondContact O-CB 3.44Å; A530-A534 PolarHBondContact O-N 2.98Å; A531-A534 PolarHBondContact O-N 3.14Å; A534-N537 CarbonylContact O-C 3.56Å; A534-N537 PolarHBondContact O-N 2.7Å; A534-N537 VanDerWaalsContact O-N 3.13Å; A534-D539 PolarHBondContact O-N 3.28Å; A534-D539 VanDerWaalsContact O-N 3.13Å; A534-R542 HydrophobicContact CB-CB 4.35Å; A534-R542 HydrophobicContact CB-CG 4.25Å; A534-A543 HydrophobicContact CB-CB 4.14Å; A534-I546 HydrophobicContact CB-CD1 3.91Å
535L91.8Very high91.4Very high0 Ų037.2 Ų37.20%016%0.161CC..Hα-helixtrans-63.2-42.6176.1-170.874.1000112.1W479 A531 A532 I533 N537 L538 I540 A543 L567 M597 F600 L601W479-L535 HydrophobicContact CH2-CD1 4.13Å; W479-L535 HydrophobicContact CH2-CG 4.41Å; W479-L535 HydrophobicContact CZ3-CD1 3.69Å; W479-L535 HydrophobicContact CZ3-CG 4.21Å; A531-L535 WeakPolarHBondContact O-CB 3.35Å; A531-L535 PolarHBondContact O-N 3.46Å; A532-L535 WeakPolarHBondContact O-CB 3.38Å; A532-L535 PolarHBondContact O-N 2.94Å; I533-L535 VanDerWaalsContact C-N 3.33Å; L535-N537 PolarHBondContact O-N 3.43Å; L535-L538 WeakPolarHBondContact O-CA 3.43Å; L535-L538 PolarHBondContact O-N 3.09Å; L535-I540 HydrophobicContact CD1-CB 4.41Å; L535-I540 HydrophobicContact CD1-CG1 3.46Å; L535-I540 VanDerWaalsContact CD1-CG1 3.46Å; L535-A543 HydrophobicContact CB-CB 4.19Å; L535-A543 HydrophobicContact CD1-CB 4.5Å; L535-L567 HydrophobicContact CD1-CD2 4.3Å; L535-L567 HydrophobicContact CD2-CD2 4.32Å; L535-M597 HydrophobicContact CB-CE 4.16Å; L535-M597 HydrophobicContact CD2-CB 3.61Å; L535-M597 HydrophobicContact CD2-CE 3.93Å; L535-M597 HydrophobicContact CD2-CG 3.76Å; L535-F600 HydrophobicContact CD2-CD1 4.22Å; L535-F600 HydrophobicContact CG-CD1 4.23Å; L535-L601 HydrophobicContact CD1-CD2 4.32Å; L535-L601 HydrophobicContact CD2-CD1 4.22Å; L535-L601 HydrophobicContact CD2-CD2 4.48Å; L535-L601 HydrophobicContact CD2-CG 4.16Å
536F91.1Very high91.6Very high1 Ų128.7 Ų28.70%0.00413%0.128CC..Hα-helixtrans-64.4-20.4175.9-62.4-28.9000113.2W505 A532 I533 L538 V596 F600 V611 F625 M628 F629W505-F536 HydrophobicContact CH2-CB 3.84Å; W505-F536 AromaticContact CH2-CD2 3.67Å; W505-F536 HydrophobicContact CH2-CD2 3.67Å; W505-F536 HydrophobicContact CH2-CG 4.23Å; W505-F536 HydrophobicContact CZ2-CD2 4.21Å; W505-F536 HydrophobicContact CZ3-CB 4.14Å; A532-F536 HydrophobicContact CB-CE2 4.25Å; A532-F536 HydrophobicContact CB-CZ 4.46Å; A532-F536 VanDerWaalsContact O-CD2 3.24Å; A532-F536 WeakPolarHBondContact O-CD2 3.38Å; A532-F536 WeakPolarHBondContact O-CG 3.34Å; A532-F536 PolarHBondContact O-N 3.46Å; I533-F536 PolarHBondContact O-N 3.07Å; F536-L538 VanDerWaalsContact C-N 3.27Å; F536-V596 HydrophobicContact CZ-CB 4.33Å; F536-V596 HydrophobicContact CZ-CG2 3.83Å; F536-F600 HydrophobicContact CD1-CB 4.42Å; F536-F600 AromaticContact CD1-CD1 3.83Å; F536-F600 HydrophobicContact CD1-CD1 3.83Å; F536-F600 HydrophobicContact CD1-CE1 4.24Å; F536-F600 HydrophobicContact CD1-CG 4.1Å; F536-F600 HydrophobicContact CE1-CB 3.93Å; F536-F600 HydrophobicContact CE1-CD1 4.19Å; F536-F600 HydrophobicContact CE1-CG 4.1Å; F536-V611 HydrophobicContact CE1-CG1 4.25Å; F536-V611 HydrophobicContact CZ-CG1 3.81Å; F536-F625 HydrophobicContact CB-CD2 4.17Å; F536-F625 AromaticContact CD1-CD2 3.49Å; F536-F625 HydrophobicContact CD1-CD2 3.49Å; F536-F625 VanDerWaalsContact CD1-CD2 3.49Å; F536-F625 AromaticContact CD1-CE2 3.5Å; F536-F625 HydrophobicContact CD1-CE2 3.5Å; F536-F625 AromaticContact CD2-CD2 3.96Å; F536-F625 HydrophobicContact CD2-CD2 3.96Å; F536-F625 AromaticContact CE1-CD2 3.71Å; F536-F625 HydrophobicContact CE1-CD2 3.71Å; F536-F625 AromaticContact CE1-CE2 3.68Å; F536-F625 HydrophobicContact CE1-CE2 3.68Å; F536-F625 HydrophobicContact CE2-CD2 4.13Å; F536-F625 AromaticContact CG-CD2 3.63Å; F536-F625 HydrophobicContact CG-CD2 3.63Å; F536-F625 HydrophobicContact CG-CE2 4.09Å; F536-F625 HydrophobicContact CZ-CD2 4Å; F536-F625 HydrophobicContact CZ-CE2 4.37Å; F536-M628 HydrophobicContact CB-CE 3.95Å; F536-F629 WeakPolarHBondContact O-CE2 3.31Å; F536-F629 VanDerWaalsContact O-CZ 3.22Å; F536-F629 WeakPolarHBondContact O-CZ 3.42Å
537N88.3Confident91.8Very high28 Ų2824.5 Ų24.515%0.1511%0.109CC..THydrogen-bonded Turntrans-90.713.6170.7-76.8-81.7000113.6R490 W505 I533 A534 L535 D539R490-N537 PolarHBondContact NH1-OD1 2.68Å; W505-N537 WeakPolarHBondContact CZ3-ND2 3.32Å; I533-N537 PolarHBondContact O-N 3.23Å; I533-N537 VanDerWaalsContact O-N 3.14Å; I533-N537 PolarHBondContact O-ND2 2.74Å; A534-N537 CarbonylContact O-C 3.56Å; A534-N537 PolarHBondContact O-N 2.7Å; A534-N537 VanDerWaalsContact O-N 3.13Å; L535-N537 PolarHBondContact O-N 3.43Å; N537-D539 VanDerWaalsContact C-N 3.3Å; N537-D539 PolarHBondContact O-N 3.02Å
538L88.1Confident91.7Very high3 Ų325.5 Ų25.52%0.01612%0.12CC..THydrogen-bonded Turntrans66.425.7178.3-50.9175000114.2R477 W479 S480 V488 L535 F536 F600 F629R477-L538 HydrophobicContact CB-CD1 3.68Å; W479-L538 WeakPolarHBondContact CA-O 3.49Å; W479-L538 HydrophobicContact CD2-CB 4.48Å; W479-L538 HydrophobicContact CD2-CD2 4.3Å; W479-L538 HydrophobicContact CE3-CB 4.01Å; W479-L538 HydrophobicContact CE3-CD2 4.11Å; W479-L538 HydrophobicContact CH2-CD2 3.98Å; W479-L538 HydrophobicContact CZ2-CD2 4.12Å; W479-L538 HydrophobicContact CZ3-CB 4.42Å; W479-L538 HydrophobicContact CZ3-CD2 3.95Å; S480-L538 PolarHBondContact N-O 2.89Å; S480-L538 PolarHBondContact OG-O 3.36Å; V488-L538 HydrophobicContact CB-CD1 4Å; V488-L538 HydrophobicContact CB-CD2 3.95Å; V488-L538 HydrophobicContact CG1-CD2 4.04Å; V488-L538 HydrophobicContact CG2-CD2 3.97Å; L535-L538 WeakPolarHBondContact O-CA 3.43Å; L535-L538 PolarHBondContact O-N 3.09Å; F536-L538 VanDerWaalsContact C-N 3.27Å; L538-F600 HydrophobicContact CD2-CE1 4.29Å; L538-F600 HydrophobicContact CD2-CZ 4.07Å; L538-F629 HydrophobicContact CD2-CE1 4.43Å; L538-F629 HydrophobicContact CD2-CZ 4.31Å
539D88.4Confident91.5Very high53 Ų5329.1 Ų29.128%0.28314%0.135SC..  trans-109.281.6176.1-158.5-35.5000112.2S480 A534 N537 R541 R542 A543S480-D539 VanDerWaalsContact OG-CA 3.23Å; S480-D539 WeakPolarHBondContact OG-CA 3.23Å; S480-D539 VanDerWaalsContact OG-CB 3.28Å; S480-D539 WeakPolarHBondContact OG-CB 3.47Å; S480-D539 PolarHBondContact OG-OD1 2.91Å; S480-D539 PolarHBondContact OG-OD2 3.35Å; S480-D539 VanDerWaalsContact OG-OD2 3.11Å; A534-D539 PolarHBondContact O-N 3.28Å; A534-D539 VanDerWaalsContact O-N 3.13Å; N537-D539 VanDerWaalsContact C-N 3.3Å; N537-D539 PolarHBondContact O-N 3.02Å; D539-R541 VanDerWaalsContact C-N 3.3Å; D539-R541 PolarHBondContact O-N 3.33Å; D539-R541 PolarHBondContact OD1-N 3.45Å; D539-R542 HydrophobicContact CB-CB 3.97Å; D539-R542 PolarHBondContact O-N 2.95Å; D539-R542 VanDerWaalsContact OD1-CB 3.25Å; D539-R542 WeakPolarHBondContact OD1-CB 2.91Å; D539-R542 PolarHBondContact OD1-N 3.48Å; D539-A543 PolarHBondContact O-N 3.38Å
540I89.9Confident91.3Very high13 Ų1327.7 Ų27.77%0.06713%0.13CC..Hα-helixtrans-62.6-38.5177.6-74.4162.5000110.8W479 L535 R542 A543 I544 L567 Y570W479-I540 HydrophobicContact CB-CD1 4.35Å; W479-I540 HydrophobicContact CD2-CD1 3.47Å; W479-I540 VanDerWaalsContact CD2-CD1 3.47Å; W479-I540 HydrophobicContact CD2-CG1 4.12Å; W479-I540 HydrophobicContact CE3-CB 4.4Å; W479-I540 HydrophobicContact CE3-CD1 3.22Å; W479-I540 HydrophobicContact CE3-CG1 3.33Å; W479-I540 HydrophobicContact CG-CD1 4Å; W479-I540 HydrophobicContact CH2-CD1 4.16Å; W479-I540 HydrophobicContact CH2-CG1 4.33Å; W479-I540 HydrophobicContact CZ2-CD1 4.39Å; W479-I540 HydrophobicContact CZ3-CD1 3.6Å; W479-I540 HydrophobicContact CZ3-CG1 3.45Å; W479-I540 VanDerWaalsContact CZ3-CG1 3.45Å; L535-I540 HydrophobicContact CD1-CB 4.41Å; L535-I540 HydrophobicContact CD1-CG1 3.46Å; L535-I540 VanDerWaalsContact CD1-CG1 3.46Å; I540-R542 PolarHBondContact O-N 2.94Å; I540-A543 PolarHBondContact O-N 2.91Å; I540-I544 HydrophobicContact CG2-CD1 3.6Å; I540-I544 HydrophobicContact CG2-CG1 4.24Å; I540-I544 VanDerWaalsContact O-CG1 3.29Å; I540-I544 WeakPolarHBondContact O-CG1 3.44Å; I540-I544 PolarHBondContact O-N 3.13Å; I540-L567 HydrophobicContact CG2-CB 4.49Å; I540-Y570 HydrophobicContact CD1-CD1 3.84Å; I540-Y570 HydrophobicContact CD1-CE1 4.42Å; I540-Y570 HydrophobicContact CD1-CG 4.36Å
541R90.3Very high91Very high137 Ų13728.5 Ų28.552%0.51714%0.137SC..Hα-helixtrans-63.2-45.8-179.3-76.7-169.6-174.5171.211111G481 D539 I544 Q545G481-R541 VanDerWaalsContact C-NE 3.33Å; G481-R541 VanDerWaalsContact CA-CD 3.48Å; G481-R541 VanDerWaalsContact O-CZ 3.23Å; G481-R541 PolarHBondContact O-NE 3.03Å; G481-R541 PolarHBondContact O-NH2 3.47Å; D539-R541 VanDerWaalsContact C-N 3.3Å; D539-R541 PolarHBondContact O-N 3.33Å; D539-R541 PolarHBondContact OD1-N 3.45Å; R541-I544 PolarHBondContact O-N 3.44Å; R541-Q545 VanDerWaalsContact O-CG 3.31Å; R541-Q545 WeakPolarHBondContact O-CG 3.48Å; R541-Q545 PolarHBondContact O-N 3.27Å
542R92.1Very high90.6Very high36 Ų3634.5 Ų34.514%0.13617%0.173CC..Hα-helixtrans-64.6-40.9177-170.365.7173.8101.31.1111.4E515 L518 E522 A534 D539 I540 I544 Q545 I546E515-R542 IonicContact OE1-CZ 2.84Å; E515-R542 IonicContact OE1-NE 2.92Å; E515-R542 IonicContact OE1-NH2 3.62Å; E515-R542 PolarHBondContact OE1-NH2 2.69Å; E515-R542 IonicContact OE2-CZ 3.81Å; E515-R542 IonicContact OE2-NE 3.64Å; E515-R542 PolarHBondContact OE2-NE 3.05Å; E515-R542 IonicContact OE2-NH2 2.69Å; E515-R542 PolarHBondContact OE2-NH2 3.07Å; L518-R542 HydrophobicContact CD1-CG 4.31Å; E522-R542 IonicContact OE1-CZ 3.67Å; E522-R542 IonicContact OE1-NH1 3.52Å; E522-R542 PolarHBondContact OE1-NH1 3.36Å; E522-R542 IonicContact OE1-NH2 3.71Å; E522-R542 PolarHBondContact OE1-NH2 3.26Å; A534-R542 HydrophobicContact CB-CB 4.35Å; A534-R542 HydrophobicContact CB-CG 4.25Å; D539-R542 HydrophobicContact CB-CB 3.97Å; D539-R542 PolarHBondContact O-N 2.95Å; D539-R542 VanDerWaalsContact OD1-CB 3.25Å; D539-R542 WeakPolarHBondContact OD1-CB 2.91Å; D539-R542 PolarHBondContact OD1-N 3.48Å; I540-R542 PolarHBondContact O-N 2.94Å; R542-I544 PolarHBondContact O-N 2.98Å; R542-Q545 WeakPolarHBondContact O-CB 3.23Å; R542-Q545 PolarHBondContact O-N 3.36Å; R542-I546 HydrophobicContact CG-CD1 4.13Å; R542-I546 VanDerWaalsContact O-CG1 3.27Å; R542-I546 WeakPolarHBondContact O-CG1 3.45Å; R542-I546 PolarHBondContact O-N 2.88Å
543A93.3Very high90Very high0 Ų037.4 Ų37.40%019%0.191CC..Hα-helixtrans-59-45.9175.200000112.2A531 A534 L535 D539 I540 Q545 I546 L547 L567 M597A531-A543 WeakPolarHBondContact O-CB 3.49Å; A534-A543 HydrophobicContact CB-CB 4.14Å; L535-A543 HydrophobicContact CB-CB 4.19Å; L535-A543 HydrophobicContact CD1-CB 4.5Å; D539-A543 PolarHBondContact O-N 3.38Å; I540-A543 PolarHBondContact O-N 2.91Å; A543-Q545 PolarHBondContact O-N 3.03Å; A543-I546 PolarHBondContact O-N 3.07Å; A543-L547 WeakPolarHBondContact O-CG 3.31Å; A543-L547 PolarHBondContact O-N 3.25Å; A543-L567 HydrophobicContact CB-CD1 4.41Å; A543-M597 HydrophobicContact CB-CE 4.25Å
544I92.4Very high88.4Confident42 Ų4247.2 Ų47.222%0.21524%0.237CC..Hα-helixtrans-61.8-43.2175.9-67.7166.3000111I540 R541 R542 I546 L547 S548 A564 L567I540-I544 HydrophobicContact CG2-CD1 3.6Å; I540-I544 HydrophobicContact CG2-CG1 4.24Å; I540-I544 VanDerWaalsContact O-CG1 3.29Å; I540-I544 WeakPolarHBondContact O-CG1 3.44Å; I540-I544 PolarHBondContact O-N 3.13Å; R541-I544 PolarHBondContact O-N 3.44Å; R542-I544 PolarHBondContact O-N 2.98Å; I544-I546 PolarHBondContact O-N 2.91Å; I544-L547 PolarHBondContact O-N 3.26Å; I544-S548 WeakPolarHBondContact O-CB 3.48Å; I544-S548 PolarHBondContact O-N 3.41Å; I544-S548 PolarHBondContact O-OG 3.04Å; I544-S548 VanDerWaalsContact O-OG 3.09Å; I544-A564 HydrophobicContact CG2-CB 4.36Å; I544-L567 HydrophobicContact CD1-CB 4.08Å; I544-L567 HydrophobicContact CG1-CB 3.8Å; I544-L567 HydrophobicContact CG1-CD1 4.25Å
545Q92.4Very high87.1Confident109 Ų10956.4 Ų56.451%0.50928%0.276SS..Hα-helixtrans-59.9-44.7176.5-73.7171.9-1.500111.8R541 R542 A543 S548 K549R541-Q545 VanDerWaalsContact O-CG 3.31Å; R541-Q545 WeakPolarHBondContact O-CG 3.48Å; R541-Q545 PolarHBondContact O-N 3.27Å; R542-Q545 WeakPolarHBondContact O-CB 3.23Å; R542-Q545 PolarHBondContact O-N 3.36Å; A543-Q545 PolarHBondContact O-N 3.03Å; Q545-S548 WeakPolarHBondContact CA-OG 3.23Å; Q545-S548 PolarHBondContact O-OG 2.97Å; Q545-K549 VanDerWaalsContact O-CB 3.29Å; Q545-K549 WeakPolarHBondContact O-CB 3.42Å; Q545-K549 PolarHBondContact O-N 2.81Å
546I93Very high85.7Confident0 Ų057.9 Ų57.90%029%0.292CS..Hα-helixtrans-61.5-49.1177.9-67.2167.9000110.7L518 E522 W527 A530 A531 A534 R542 A543 I544 K549 G550L518-I546 HydrophobicContact CD1-CD1 4.46Å; L518-I546 HydrophobicContact CD2-CD1 4.41Å; E522-I546 HydrophobicContact CG-CG2 4.49Å; E522-I546 WeakPolarHBondContact OE1-CG1 3.31Å; W527-I546 HydrophobicContact CE3-CG2 4.15Å; W527-I546 WeakPolarHBondContact O-CG2 3.38Å; A530-I546 HydrophobicContact CB-CD1 4.24Å; A530-I546 HydrophobicContact CB-CG2 3.88Å; A531-I546 HydrophobicContact CB-CB 4.3Å; A531-I546 HydrophobicContact CB-CG2 4.05Å; A534-I546 HydrophobicContact CB-CD1 3.91Å; R542-I546 HydrophobicContact CG-CD1 4.13Å; R542-I546 VanDerWaalsContact O-CG1 3.27Å; R542-I546 WeakPolarHBondContact O-CG1 3.45Å; R542-I546 PolarHBondContact O-N 2.88Å; A543-I546 PolarHBondContact O-N 3.07Å; I544-I546 PolarHBondContact O-N 2.91Å; I546-K549 PolarHBondContact O-N 2.75Å; I546-G550 PolarHBondContact O-N 3.48Å
547L92.9Very high85Confident0 Ų061 Ų610%031%0.308CS..Hα-helixtrans-62.4-45.5-180-69.9174.8000112.1A531 A543 I544 K549 G550 A551 L560 V563 A564 L567 L594 M597A531-L547 HydrophobicContact CB-CD1 4.25Å; A531-L547 HydrophobicContact CB-CD2 3.54Å; A531-L547 HydrophobicContact CB-CG 3.57Å; A543-L547 WeakPolarHBondContact O-CG 3.31Å; A543-L547 PolarHBondContact O-N 3.25Å; I544-L547 PolarHBondContact O-N 3.26Å; L547-K549 VanDerWaalsContact C-N 3.33Å; L547-K549 PolarHBondContact O-N 3.4Å; L547-G550 PolarHBondContact O-N 3.16Å; L547-A551 WeakPolarHBondContact O-CB 3.27Å; L547-A551 PolarHBondContact O-N 3.38Å; L547-L560 HydrophobicContact CD2-CB 4.34Å; L547-L560 HydrophobicContact CD2-CD2 3.8Å; L547-V563 HydrophobicContact CD1-CB 4.14Å; L547-V563 HydrophobicContact CD1-CG1 3.77Å; L547-A564 HydrophobicContact CB-CB 3.89Å; L547-A564 HydrophobicContact CD1-CB 4.17Å; L547-L567 HydrophobicContact CD1-CD1 3.61Å; L547-L594 HydrophobicContact CD2-CD2 3.95Å; L547-M597 HydrophobicContact CD1-CE 4.13Å
548S90.6Very high84.5Confident47 Ų4766.3 Ų66.333%0.32934%0.336SS..Hα-helixtrans-63.4-39.2178.366.10000112.1I544 Q545 A551 V552I544-S548 WeakPolarHBondContact O-CB 3.48Å; I544-S548 PolarHBondContact O-N 3.41Å; I544-S548 PolarHBondContact O-OG 3.04Å; I544-S548 VanDerWaalsContact O-OG 3.09Å; Q545-S548 WeakPolarHBondContact CA-OG 3.23Å; Q545-S548 PolarHBondContact O-OG 2.97Å; S548-A551 PolarHBondContact O-N 3.03Å; S548-V552 VanDerWaalsContact O-CG2 3.29Å; S548-V552 WeakPolarHBondContact O-CG2 3.44Å; S548-V552 PolarHBondContact O-N 2.78Å
549K89.7Confident84.4Confident110 Ų11069 Ų6948%0.47835%0.35SS..Hα-helixtrans-65-43.9175.3-175.3177.8173.4-170.80111.4E522 W527 Q545 I546 L547 A551 V552E522-K549 IonicContact OE2-NZ 3.94Å; E522-K549 PolarHBondContact OE2-NZ 3Å; W527-K549 HydrophobicContact CH2-CD 4.25Å; W527-K549 HydrophobicContact CH2-CG 4.16Å; W527-K549 HydrophobicContact CZ3-CB 4.37Å; W527-K549 HydrophobicContact CZ3-CD 3.93Å; W527-K549 HydrophobicContact CZ3-CG 3.98Å; Q545-K549 VanDerWaalsContact O-CB 3.29Å; Q545-K549 WeakPolarHBondContact O-CB 3.42Å; Q545-K549 PolarHBondContact O-N 2.81Å; I546-K549 PolarHBondContact O-N 2.75Å; L547-K549 VanDerWaalsContact C-N 3.33Å; L547-K549 PolarHBondContact O-N 3.4Å; K549-A551 VanDerWaalsContact C-N 3.35Å; K549-V552 PolarHBondContact O-N 2.93Å
550G87.8Confident84.3Confident0 Ų066.6 Ų66.60%034%0.338CS..Hα-helixtrans-63-40.2176.100000112.5W527 I546 L547 V552 T553W527-G550 VanDerWaalsContact CD2-CA 3.48Å; I546-G550 PolarHBondContact O-N 3.48Å; L547-G550 PolarHBondContact O-N 3.16Å; G550-V552 VanDerWaalsContact C-N 3.3Å; G550-V552 PolarHBondContact O-N 3.17Å; G550-T553 PolarHBondContact O-N 2.97Å; G550-T553 PolarHBondContact O-OG1 3.22Å
551A87.6Confident84.2Confident18 Ų1869.2 Ų69.215%0.14935%0.352CS..Hα-helixtrans-67.2-26.4179.800000114.2L547 S548 K549 L560 N561L547-A551 WeakPolarHBondContact O-CB 3.27Å; L547-A551 PolarHBondContact O-N 3.38Å; S548-A551 PolarHBondContact O-N 3.03Å; K549-A551 VanDerWaalsContact C-N 3.35Å; A551-L560 HydrophobicContact CB-CB 4.05Å; A551-N561 HydrophobicContact CB-CB 4.33Å; A551-N561 WeakPolarHBondContact CB-ND2 3.14Å; A551-N561 WeakPolarHBondContact CB-OD1 3.3Å
552V84.4Confident84Confident125 Ų12565.3 Ų65.376%0.75834%0.343SS*.Hα-helixtrans-82.8-13.7179.5174.30000112.6S548 K549 G550S548-V552 VanDerWaalsContact O-CG2 3.29Å; S548-V552 WeakPolarHBondContact O-CG2 3.44Å; S548-V552 PolarHBondContact O-N 2.78Å; K549-V552 PolarHBondContact O-N 2.93Å; G550-V552 VanDerWaalsContact C-N 3.3Å; G550-V552 PolarHBondContact O-N 3.17Å
553T82.1Confident83.9Confident61 Ų6163.7 Ų63.737%0.37434%0.337SS..SBendtrans-72.3155.6177.559.80000112.6W527 G550 K555 G556W527-T553 HydrophobicContact CZ2-CG2 4.11Å; G550-T553 PolarHBondContact O-N 2.97Å; G550-T553 PolarHBondContact O-OG1 3.22Å; T553-K555 PolarHBondContact O-N 3.4Å; T553-G556 PolarHBondContact O-N 2.92Å
554E58.9Low83.7Confident207 Ų20764 Ų6497%0.96734%0.34SS*.THydrogen-bonded Turntrans-55.9-14-174.1-67.2-178.2160.100116
555K63.1Low83.4Confident194 Ų19468 Ų6884%0.84336%0.359SS*.THydrogen-bonded Turntrans-116.920.7174.6-72.2-172.1174.9-175.20113.2T553 D557T553-K555 PolarHBondContact O-N 3.4Å; K555-D557 PolarHBondContact O-N 3.26Å
556G63.7Low83.2Confident32 Ų3263.6 Ų63.633%0.3334%0.341SS..  trans-63.5125.7-172.600000113.2T553T553-G556 PolarHBondContact O-N 2.92Å
557D75.3Confident83Confident65 Ų6563.7 Ų63.735%0.34834%0.342SS..  trans-74.7127.1171.7-175.4-4.7000109.7K555 N559 L560K555-D557 PolarHBondContact O-N 3.26Å; D557-N559 VanDerWaalsContact CG-ND2 3.34Å; D557-N559 PolarHBondContact O-N 3.49Å; D557-N559 VanDerWaalsContact O-N 3.13Å; D557-N559 WeakPolarHBondContact OD1-CB 3.12Å; D557-N559 VanDerWaalsContact OD1-CG 3.3Å; D557-N559 PolarHBondContact OD1-N 3.28Å; D557-N559 PolarHBondContact OD1-ND2 3.29Å; D557-N559 PolarHBondContact OD2-ND2 3.47Å; D557-L560 HydrophobicContact CB-CG 4.19Å; D557-L560 WeakPolarHBondContact O-CB 3.23Å; D557-L560 WeakPolarHBondContact O-CG 3.36Å; D557-L560 PolarHBondContact O-N 3.12Å
558L78.9Confident82.7Confident141 Ų14167.9 Ų67.974%0.73837%0.371SS*.Hα-helixtrans-53.4-30.1174.1-80.7151.2000112L560 N561 V562L558-L560 PolarHBondContact O-N 3.24Å; L558-N561 PolarHBondContact O-N 3.5Å; L558-V562 PolarHBondContact O-N 3.1Å
559N84.6Confident82.3Confident58 Ų5867.4 Ų67.431%0.3137%0.373SS..Hα-helixtrans-59.1-32.3176.3-64.3-41.6000112.3D557 N561 V562 V563 L589 L594D557-N559 VanDerWaalsContact CG-ND2 3.34Å; D557-N559 PolarHBondContact O-N 3.49Å; D557-N559 VanDerWaalsContact O-N 3.13Å; D557-N559 WeakPolarHBondContact OD1-CB 3.12Å; D557-N559 VanDerWaalsContact OD1-CG 3.3Å; D557-N559 PolarHBondContact OD1-N 3.28Å; D557-N559 PolarHBondContact OD1-ND2 3.29Å; D557-N559 PolarHBondContact OD2-ND2 3.47Å; N559-N561 PolarHBondContact O-N 2.77Å; N559-V562 PolarHBondContact O-N 3.12Å; N559-V563 VanDerWaalsContact O-CG2 3.3Å; N559-V563 WeakPolarHBondContact O-CG2 3.44Å; N559-V563 PolarHBondContact O-N 2.95Å; N559-L589 HydrophobicContact CB-CD2 3.87Å; N559-L594 HydrophobicContact CB-CD1 4.34Å
560L87.9Confident82.1Confident4 Ų463.9 Ų63.92%0.02136%0.357CS..Hα-helixtrans-62.9-42.4179.5-57.8178.4000111.8W527 E528 L547 A551 D557 L558 V563 A564 L594W527-L560 HydrophobicContact CB-CD1 4.46Å; E528-L560 HydrophobicContact CG-CD2 3.51Å; L547-L560 HydrophobicContact CD2-CB 4.34Å; L547-L560 HydrophobicContact CD2-CD2 3.8Å; A551-L560 HydrophobicContact CB-CB 4.05Å; D557-L560 HydrophobicContact CB-CG 4.19Å; D557-L560 WeakPolarHBondContact O-CB 3.23Å; D557-L560 WeakPolarHBondContact O-CG 3.36Å; D557-L560 PolarHBondContact O-N 3.12Å; L558-L560 PolarHBondContact O-N 3.24Å; L560-V563 PolarHBondContact O-N 3.17Å; L560-A564 WeakPolarHBondContact O-CB 3.04Å; L560-A564 PolarHBondContact O-N 3.34Å; L560-L594 HydrophobicContact CD2-CD1 4.18Å; L560-L594 HydrophobicContact CD2-CD2 4.19Å
561N87.1Confident81.7Confident68 Ų6866 Ų6636%0.36437%0.37SS..Hα-helixtrans-69-39.6176.5-86.9-21.9000111.9A551 L558 N559 V563 A564 M565A551-N561 HydrophobicContact CB-CB 4.33Å; A551-N561 WeakPolarHBondContact CB-ND2 3.14Å; A551-N561 WeakPolarHBondContact CB-OD1 3.3Å; L558-N561 PolarHBondContact O-N 3.5Å; N559-N561 PolarHBondContact O-N 2.77Å; N561-V563 VanDerWaalsContact C-N 3.3Å; N561-V563 PolarHBondContact O-N 3.18Å; N561-A564 PolarHBondContact O-N 2.83Å; N561-M565 WeakPolarHBondContact O-CG 3.2Å; N561-M565 PolarHBondContact O-N 3.39Å
562V86.3Confident80.9Confident55 Ų5569.1 Ų69.133%0.33339%0.385SS..Hα-helixtrans-59.7-44.5175.6175.40000110.4L558 N559 M565 A566 L585L558-V562 PolarHBondContact O-N 3.1Å; N559-V562 PolarHBondContact O-N 3.12Å; V562-M565 HydrophobicContact CG2-CE 4.49Å; V562-M565 PolarHBondContact O-N 3.49Å; V562-A566 WeakPolarHBondContact O-CB 3.17Å; V562-A566 PolarHBondContact O-N 2.95Å; V562-L585 HydrophobicContact CG1-CD2 4.2Å
563V89.2Confident80.6Confident1 Ų168.7 Ų68.71%0.00637%0.374CS..Hα-helixtrans-67-43.4176.4178.90000111.2L547 N559 L560 N561 M565 A566 L567 L589 L594 M597 F598L547-V563 HydrophobicContact CD1-CB 4.14Å; L547-V563 HydrophobicContact CD1-CG1 3.77Å; N559-V563 VanDerWaalsContact O-CG2 3.3Å; N559-V563 WeakPolarHBondContact O-CG2 3.44Å; N559-V563 PolarHBondContact O-N 2.95Å; L560-V563 PolarHBondContact O-N 3.17Å; N561-V563 VanDerWaalsContact C-N 3.3Å; N561-V563 PolarHBondContact O-N 3.18Å; V563-M565 VanDerWaalsContact C-N 3.3Å; V563-M565 PolarHBondContact O-N 3.23Å; V563-A566 PolarHBondContact O-N 2.68Å; V563-A566 VanDerWaalsContact O-N 3.08Å; V563-L567 HydrophobicContact CG1-CD1 4.15Å; V563-L567 HydrophobicContact CG1-CG 4.19Å; V563-L567 VanDerWaalsContact O-CG 3.29Å; V563-L567 WeakPolarHBondContact O-CG 3.34Å; V563-L567 PolarHBondContact O-N 3.39Å; V563-L589 HydrophobicContact CG2-CD1 4.04Å; V563-L589 HydrophobicContact CG2-CD2 4.27Å; V563-L594 HydrophobicContact CB-CD2 4.5Å; V563-L594 HydrophobicContact CG1-CD2 4.34Å; V563-L594 HydrophobicContact CG2-CB 4.34Å; V563-L594 HydrophobicContact CG2-CD1 4.25Å; V563-L594 HydrophobicContact CG2-CD2 4.32Å; V563-M597 HydrophobicContact CG1-SD 4.44Å; V563-F598 HydrophobicContact CB-CE2 4.47Å; V563-F598 HydrophobicContact CB-CZ 4.32Å; V563-F598 HydrophobicContact CG1-CE2 4.09Å; V563-F598 HydrophobicContact CG1-CZ 3.95Å; V563-F598 HydrophobicContact CG2-CE2 3.79Å; V563-F598 HydrophobicContact CG2-CZ 4.04Å
564A89.6Confident80Confident8 Ų872.8 Ų72.87%0.06639%0.387CS..Hα-helixtrans-58-41.4176.900000112.6I544 L547 L560 N561 L567 S568I544-A564 HydrophobicContact CG2-CB 4.36Å; L547-A564 HydrophobicContact CB-CB 3.89Å; L547-A564 HydrophobicContact CD1-CB 4.17Å; L560-A564 WeakPolarHBondContact O-CB 3.04Å; L560-A564 PolarHBondContact O-N 3.34Å; N561-A564 PolarHBondContact O-N 2.83Å; A564-L567 PolarHBondContact O-N 2.8Å; A564-S568 PolarHBondContact O-N 2.78Å
565M87.1Confident80.3Confident126 Ų12668.5 Ų68.562%0.62138%0.38SS*.Hα-helixtrans-66.7-39.1173.7-70.9-171.4-59.600112.4N561 V562 V563 S568N561-M565 WeakPolarHBondContact O-CG 3.2Å; N561-M565 PolarHBondContact O-N 3.39Å; V562-M565 HydrophobicContact CG2-CE 4.49Å; V562-M565 PolarHBondContact O-N 3.49Å; V563-M565 VanDerWaalsContact C-N 3.3Å; V563-M565 PolarHBondContact O-N 3.23Å; M565-S568 PolarHBondContact O-N 3.42Å; M565-S568 PolarHBondContact O-OG 3.42Å
566A87.6Confident81.1Confident16 Ų1659.9 Ų59.913%0.13234%0.344CS..Hα-helixtrans-66.3-38.3176.900000111.9V562 V563 G569 W578 F598V562-A566 WeakPolarHBondContact O-CB 3.17Å; V562-A566 PolarHBondContact O-N 2.95Å; V563-A566 PolarHBondContact O-N 2.68Å; V563-A566 VanDerWaalsContact O-N 3.08Å; A566-G569 PolarHBondContact O-N 2.82Å; A566-W578 PolarHBondContact O-NE1 3.49Å; A566-F598 HydrophobicContact CB-CE1 3.67Å; A566-F598 HydrophobicContact CB-CZ 3.73Å
567L88.5Confident82Confident2 Ų264.8 Ų64.81%0.0136%0.362CS..Hα-helixtrans-66.4-35.2177.3-67.5175.3000112.9L535 I540 A543 I544 L547 V563 A564 G569 Y570 M597 L601L535-L567 HydrophobicContact CD1-CD2 4.3Å; L535-L567 HydrophobicContact CD2-CD2 4.32Å; I540-L567 HydrophobicContact CG2-CB 4.49Å; A543-L567 HydrophobicContact CB-CD1 4.41Å; I544-L567 HydrophobicContact CD1-CB 4.08Å; I544-L567 HydrophobicContact CG1-CB 3.8Å; I544-L567 HydrophobicContact CG1-CD1 4.25Å; L547-L567 HydrophobicContact CD1-CD1 3.61Å; V563-L567 HydrophobicContact CG1-CD1 4.15Å; V563-L567 HydrophobicContact CG1-CG 4.19Å; V563-L567 VanDerWaalsContact O-CG 3.29Å; V563-L567 WeakPolarHBondContact O-CG 3.34Å; V563-L567 PolarHBondContact O-N 3.39Å; A564-L567 PolarHBondContact O-N 2.8Å; L567-G569 PolarHBondContact O-N 2.86Å; L567-Y570 WeakPolarHBondContact O-CB 3.49Å; L567-Y570 PolarHBondContact O-N 3.25Å; L567-M597 HydrophobicContact CD1-CE 3.45Å; L567-M597 VanDerWaalsContact CD1-CE 3.45Å; L567-M597 HydrophobicContact CD2-CE 4.34Å; L567-M597 HydrophobicContact CG-CE 4.46Å; L567-L601 HydrophobicContact CD2-CD1 3.38Å
568S85.6Confident82.5Confident88 Ų8863.3 Ų63.362%0.61535%0.351SS*.Hα-helixtrans-67.6-24.6177.269.60000112.7A564 M565A564-S568 PolarHBondContact O-N 2.78Å; M565-S568 PolarHBondContact O-N 3.42Å; M565-S568 PolarHBondContact O-OG 3.42Å
569G83.5Confident82.7Confident36 Ų3658.3 Ų58.337%0.37132%0.323SS..THydrogen-bonded Turntrans-90.911.217500000115.2A566 L567 T571 W578A566-G569 PolarHBondContact O-N 2.82Å; L567-G569 PolarHBondContact O-N 2.86Å; G569-T571 PolarHBondContact O-N 2.91Å; G569-W578 VanDerWaalsContact O-CD1 3.23Å; G569-W578 PolarHBondContact O-NE1 3.1Å
570Y85.3Confident82.6Confident36 Ų3662.1 Ų62.114%0.14134%0.339CS..  trans-55.4132.3-177.8171.2-110000112.5W479 I540 L567 W578 L601W479-Y570 HydrophobicContact CZ2-CE1 4.38Å; W479-Y570 AromaticContact NE1-CE1 3.84Å; I540-Y570 HydrophobicContact CD1-CD1 3.84Å; I540-Y570 HydrophobicContact CD1-CE1 4.42Å; I540-Y570 HydrophobicContact CD1-CG 4.36Å; L567-Y570 WeakPolarHBondContact O-CB 3.49Å; L567-Y570 PolarHBondContact O-N 3.25Å; Y570-W578 AromaticContact CD2-CH2 3.53Å; Y570-W578 HydrophobicContact CD2-CH2 3.53Å; Y570-W578 AromaticContact CD2-CZ2 3.95Å; Y570-W578 HydrophobicContact CD2-CZ2 3.95Å; Y570-W578 AromaticContact CD2-CZ3 3.86Å; Y570-W578 HydrophobicContact CD2-CZ3 3.86Å; Y570-W578 HydrophobicContact CE2-CH2 4.23Å; Y570-W578 HydrophobicContact CE2-CZ3 4.27Å; Y570-L601 HydrophobicContact CD2-CB 4.05Å; Y570-L601 HydrophobicContact CD2-CD1 4.06Å; Y570-L601 HydrophobicContact CD2-CD2 3.84Å; Y570-L601 HydrophobicContact CD2-CG 4.21Å; Y570-L601 HydrophobicContact CE2-CB 3.85Å; Y570-L601 HydrophobicContact CE2-CD2 3.68Å; Y570-L601 HydrophobicContact CE2-CG 4.23Å; Y570-L601 HydrophobicContact CG-CD2 4.33Å
571T79.1Confident82.4Confident45 Ų4567.9 Ų67.928%0.27637%0.367SS..  trans-136.8139.3174.660.50000110.3G569 E573 S576G569-T571 PolarHBondContact O-N 2.91Å; T571-E573 PolarHBondContact O-N 3Å; T571-S576 PolarHBondContact OG1-OG 2.86Å
572D71.4Confident82.3Confident84 Ų8464.8 Ų64.845%0.44935%0.35SS..  trans-82.9-1.1178.6-168.730.5000113T486 K574 R579T486-D572 HydrophobicContact CG2-CB 3.5Å; T486-D572 VanDerWaalsContact CG2-CB 3.5Å; T486-D572 VanDerWaalsContact CG2-OD2 3.29Å; T486-D572 WeakPolarHBondContact CG2-OD2 3.42Å; D572-K574 PolarHBondContact O-N 2.87Å; D572-R579 PolarHBondContact O-NH2 3.04Å; D572-R579 IonicContact OD1-NH2 2.73Å
573E77.2Confident82.1Confident115 Ų11565.3 Ų65.354%0.53736%0.357SS..  trans-63124.4177.1-72.9176.9-164.800111.1T571 S575 S576 R579T571-E573 PolarHBondContact O-N 3Å; E573-S575 VanDerWaalsContact C-N 3.28Å; E573-S575 PolarHBondContact O-N 2.9Å; E573-S576 PolarHBondContact O-N 2.83Å; E573-S576 PolarHBondContact O-OG 2.9Å; E573-R579 PolarHBondContact O-NE 2.83Å
574K68.9Low82Confident147 Ų14768.1 Ų68.164%0.63938%0.377SS*.THydrogen-bonded Turntrans-66.6-25.9-174.5-68.3-165.4178.7-162.10114D572 E604D572-K574 PolarHBondContact O-N 2.87Å; K574-E604 IonicContact NZ-OE1 3.69Å; K574-E604 PolarHBondContact NZ-OE1 3.37Å
575S65.9Low81.7Confident117 Ų11769.6 Ų69.682%0.81838%0.383SS*.THydrogen-bonded Turntrans-113.132.8-17862.10000112.6E573E573-S575 VanDerWaalsContact C-N 3.28Å; E573-S575 PolarHBondContact O-N 2.9Å
576S80.3Confident81.6Confident13 Ų1367.6 Ų67.69%0.09137%0.368CS..  trans-83.8140.9179.367.60000111.5T571 E573 W578 R579T571-S576 PolarHBondContact OG1-OG 2.86Å; E573-S576 PolarHBondContact O-N 2.83Å; E573-S576 PolarHBondContact O-OG 2.9Å; S576-W578 PolarHBondContact O-N 2.93Å; S576-R579 PolarHBondContact O-N 2.95Å; S576-R579 PolarHBondContact OG-N 3.11Å
577L82.8Confident81.4Confident136 Ų13674.2 Ų74.271%0.71240%0.401SS*.Hα-helixtrans-52.2-27.7169.2-71.8168.5000111.8E580 M581L577-E580 PolarHBondContact O-N 3.22Å; L577-M581 WeakPolarHBondContact O-CG 3.23Å; L577-M581 PolarHBondContact O-N 3.22Å
578W86.2Confident81.3Confident33 Ų3380.6 Ų80.613%0.12543%0.431CS..Hα-helixtrans-59.7-44.2174.9-176.591.5000112.5A566 G569 Y570 S576 E580 M581 C582 L601 T602A566-W578 PolarHBondContact O-NE1 3.49Å; G569-W578 VanDerWaalsContact O-CD1 3.23Å; G569-W578 PolarHBondContact O-NE1 3.1Å; Y570-W578 AromaticContact CD2-CH2 3.53Å; Y570-W578 HydrophobicContact CD2-CH2 3.53Å; Y570-W578 AromaticContact CD2-CZ2 3.95Å; Y570-W578 HydrophobicContact CD2-CZ2 3.95Å; Y570-W578 AromaticContact CD2-CZ3 3.86Å; Y570-W578 HydrophobicContact CD2-CZ3 3.86Å; Y570-W578 HydrophobicContact CE2-CH2 4.23Å; Y570-W578 HydrophobicContact CE2-CZ3 4.27Å; S576-W578 PolarHBondContact O-N 2.93Å; W578-E580 PolarHBondContact O-N 2.84Å; W578-M581 PolarHBondContact O-N 3.28Å; W578-C582 VanDerWaalsContact CH2-SG 3.55Å; W578-C582 WeakPolarHBondContact CZ2-SG 3.41Å; W578-C582 WeakPolarHBondContact O-CB 3.5Å; W578-C582 PolarHBondContact O-N 3.32Å; W578-C582 PolarHBondContact O-SG 2.76Å; W578-L601 HydrophobicContact CH2-CB 3.79Å; W578-L601 HydrophobicContact CH2-CD1 3.95Å; W578-L601 HydrophobicContact CZ2-CD1 4.26Å; W578-L601 HydrophobicContact CZ3-CB 4.41Å; W578-T602 HydrophobicContact CZ3-CG2 4.15Å
579R83.1Confident81.3Confident36 Ų3677.3 Ų77.314%0.13641%0.406CS..Hα-helixtrans-65-38.3178.9-73-170.8-166.1-134.71.1112.5D572 E573 S576 C582 S583 T602D572-R579 PolarHBondContact O-NH2 3.04Å; D572-R579 IonicContact OD1-NH2 2.73Å; E573-R579 PolarHBondContact O-NE 2.83Å; S576-R579 PolarHBondContact O-N 2.95Å; S576-R579 PolarHBondContact OG-N 3.11Å; R579-C582 PolarHBondContact O-N 3.02Å; R579-S583 PolarHBondContact O-N 2.98Å; R579-S583 PolarHBondContact O-OG 3.14Å; R579-T602 HydrophobicContact CG-CG2 4.42Å; R579-T602 PolarHBondContact NH1-O 2.86Å
580E81.8Confident81.4Confident139 Ų13985 Ų8565%0.6543%0.429SS*.Hα-helixtrans-64.2-46175.2-67.8-179.2-178.800111L577 W578 C582 S583 S584L577-E580 PolarHBondContact O-N 3.22Å; W578-E580 PolarHBondContact O-N 2.84Å; E580-C582 PolarHBondContact O-N 2.93Å; E580-S583 WeakPolarHBondContact O-CB 3.14Å; E580-S583 PolarHBondContact O-N 3.3Å; E580-S584 PolarHBondContact O-N 2.96Å; E580-S584 VanDerWaalsContact O-N 3.1Å
581M83.3Confident81.7Confident125 Ų12585.1 Ų85.162%0.61643%0.433SS*.Hα-helixtrans-61.5-43.5175.5-72.9-174.170.100112.4L577 W578 S583 S584 L585L577-M581 WeakPolarHBondContact O-CG 3.23Å; L577-M581 PolarHBondContact O-N 3.22Å; W578-M581 PolarHBondContact O-N 3.28Å; M581-S583 VanDerWaalsContact C-N 3.29Å; M581-S583 PolarHBondContact O-N 3.32Å; M581-S584 PolarHBondContact O-N 3.07Å; M581-L585 WeakPolarHBondContact O-CB 3.06Å; M581-L585 WeakPolarHBondContact O-CG 3.43Å; M581-L585 PolarHBondContact O-N 3.05Å
582C85Confident82.3Confident2 Ų284.2 Ų84.21%0.01443%0.427CS..Hα-helixtrans-62.4-36.6176.4-73.80000112.6W578 R579 E580 L585 R586 F598 T602W578-C582 VanDerWaalsContact CH2-SG 3.55Å; W578-C582 WeakPolarHBondContact CZ2-SG 3.41Å; W578-C582 WeakPolarHBondContact O-CB 3.5Å; W578-C582 PolarHBondContact O-N 3.32Å; W578-C582 PolarHBondContact O-SG 2.76Å; R579-C582 PolarHBondContact O-N 3.02Å; E580-C582 PolarHBondContact O-N 2.93Å; C582-L585 PolarHBondContact O-N 3.25Å; C582-R586 WeakPolarHBondContact O-CB 3.41Å; C582-R586 PolarHBondContact O-N 2.6Å; C582-F598 HydrophobicContact CB-CD1 3.77Å; C582-F598 HydrophobicContact CB-CE1 4.35Å; C582-F598 HydrophobicContact CB-CG 4.34Å; C582-F598 WeakPolarHBondContact SG-CD1 3.31Å; C582-F598 VanDerWaalsContact SG-CE1 3.56Å; C582-T602 HydrophobicContact CB-CG2 4.12Å
583S83.6Confident83.4Confident66 Ų6681.3 Ų81.346%0.46241%0.41SS..Hα-helixtrans-64.9-41175.5-58.80000111.5R579 E580 M581R579-S583 PolarHBondContact O-N 2.98Å; R579-S583 PolarHBondContact O-OG 3.14Å; E580-S583 WeakPolarHBondContact O-CB 3.14Å; E580-S583 PolarHBondContact O-N 3.3Å; M581-S583 VanDerWaalsContact C-N 3.29Å; M581-S583 PolarHBondContact O-N 3.32Å
584S85.1Confident84.2Confident61 Ų6175.9 Ų75.943%0.42739%0.385SS..Hα-helixtrans-67.4-43.4174.3-175.50000112.6E580 M581 R586 L587E580-S584 PolarHBondContact O-N 2.96Å; E580-S584 VanDerWaalsContact O-N 3.1Å; M581-S584 PolarHBondContact O-N 3.07Å; S584-R586 VanDerWaalsContact C-N 3.33Å; S584-R586 PolarHBondContact O-N 2.97Å; S584-L587 PolarHBondContact O-N 3.05Å
585L84.1Confident85.3Confident38 Ų3869.4 Ų69.420%0.19936%0.358CS..Hα-helixtrans-64.4-38.3179.2-74.7169.2000111.7V562 M581 C582 L587 Q588 L589V562-L585 HydrophobicContact CG1-CD2 4.2Å; M581-L585 WeakPolarHBondContact O-CB 3.06Å; M581-L585 WeakPolarHBondContact O-CG 3.43Å; M581-L585 PolarHBondContact O-N 3.05Å; C582-L585 PolarHBondContact O-N 3.25Å; L585-L587 PolarHBondContact O-N 3.17Å; L585-Q588 PolarHBondContact O-N 3.36Å; L585-L589 WeakPolarHBondContact O-CG 3.41Å; L585-L589 PolarHBondContact O-N 3.21Å; L585-L589 VanDerWaalsContact O-N 3.16Å
586R85.3Confident86.6Confident84 Ų8463.8 Ų63.832%0.31732%0.319SS..Hα-helixtrans-57-34.7176-175.5178.6175.5-166.1-0.7112.7C582 S584 Q588 C595 G610C582-R586 WeakPolarHBondContact O-CB 3.41Å; C582-R586 PolarHBondContact O-N 2.6Å; S584-R586 VanDerWaalsContact C-N 3.33Å; S584-R586 PolarHBondContact O-N 2.97Å; R586-Q588 VanDerWaalsContact C-N 3.31Å; R586-C595 HydrophobicContact CG-CB 4.11Å; R586-C595 PolarHBondContact O-SG 3.2Å; R586-G610 PolarHBondContact NH2-O 2.97Å
587L84.1Confident87.2Confident155 Ų15563.2 Ų63.281%0.81232%0.315SS*.Hα-helixtrans-74.7-20.9177.6-65.4173.5000113.4S584 L585S584-L587 PolarHBondContact O-N 3.05Å; L585-L587 PolarHBondContact O-N 3.17Å
588Q85.2Confident87.6Confident136 Ų13656.8 Ų56.864%0.63628%0.281SS*.Hα-helixtrans-93.3-20.3-177.6-65.3177.91.300112.8L585 R586L585-Q588 PolarHBondContact O-N 3.36Å; R586-Q588 VanDerWaalsContact C-N 3.31Å
589L86.8Confident87.9Confident20 Ų2055.2 Ų55.211%0.10528%0.275CS..  trans-80.2132.5-177.9-69.8165.8000111.6N559 V563 L585 L594 C595 F598N559-L589 HydrophobicContact CB-CD2 3.87Å; V563-L589 HydrophobicContact CG2-CD1 4.04Å; V563-L589 HydrophobicContact CG2-CD2 4.27Å; L585-L589 WeakPolarHBondContact O-CG 3.41Å; L585-L589 PolarHBondContact O-N 3.21Å; L585-L589 VanDerWaalsContact O-N 3.16Å; L589-L594 HydrophobicContact CD1-CB 4.13Å; L589-L594 HydrophobicContact CD2-CD1 4.18Å; L589-C595 VanDerWaalsContact CB-SG 3.58Å; L589-F598 HydrophobicContact CD1-CD2 3.87Å; L589-F598 HydrophobicContact CD1-CE2 3.53Å
590K85.9Confident88.3Confident196 Ų19654 Ų5485%0.85227%0.271SS*.  trans-87.8-30.6178.4-66.5-177179.8178.80113.1
591N90.3Very high88.6Confident40 Ų4047.6 Ų47.621%0.21424%0.241CC..  trans-80.8123.2-177-171.9-49.7000110.4E528 Y593 L594 C595E528-N591 HydrophobicContact CG-CB 4.49Å; E528-N591 VanDerWaalsContact CG-ND2 3.29Å; E528-N591 WeakPolarHBondContact CG-ND2 3.23Å; E528-N591 PolarHBondContact OE1-ND2 3.45Å; N591-Y593 VanDerWaalsContact C-N 3.31Å; N591-Y593 PolarHBondContact O-N 3.24Å; N591-Y593 WeakPolarHBondContact OD1-CB 3.47Å; N591-Y593 PolarHBondContact OD1-N 3.24Å; N591-L594 HydrophobicContact CB-CD1 4.05Å; N591-L594 HydrophobicContact CB-CG 4.09Å; N591-L594 PolarHBondContact O-N 3.42Å; N591-C595 PolarHBondContact O-N 3.09Å; N591-C595 PolarHBondContact O-SG 3.4Å
592P92.9Very high88.8Confident25 Ų2543.3 Ų43.316%0.16222%0.222CC..Hα-helixtrans-64.2-32.7-175.928.3-37.2000113.3L594 C595 V596 E614 K616 V617P592-L594 PolarHBondContact O-N 2.99Å; P592-C595 WeakPolarHBondContact O-CB 3.34Å; P592-C595 PolarHBondContact O-N 2.9Å; P592-V596 WeakPolarHBondContact O-CG2 3.41Å; P592-V596 PolarHBondContact O-N 2.84Å; P592-E614 HydrophobicContact CB-CG 4.2Å; P592-K616 HydrophobicContact CB-CB 3.7Å; P592-K616 HydrophobicContact CG-CB 3.82Å; P592-V617 HydrophobicContact CB-CG2 4.01Å
593Y94.3Very high89Confident23 Ų2344.7 Ų44.79%0.0923%0.231CC..Hα-helixtrans-66.6-38.1179.7-75.2-81.8000111.9R529 A532 N591 V596 M597 V617 A618 D621R529-Y593 HydrophobicContact CB-CD1 4.09Å; R529-Y593 HydrophobicContact CB-CD2 4.12Å; R529-Y593 HydrophobicContact CB-CE1 4.09Å; R529-Y593 HydrophobicContact CB-CE2 4.13Å; R529-Y593 HydrophobicContact CB-CG 4.1Å; R529-Y593 HydrophobicContact CG-CD1 4.1Å; R529-Y593 HydrophobicContact CG-CE1 3.65Å; R529-Y593 HydrophobicContact CG-CE2 4.22Å; A532-Y593 HydrophobicContact CB-CD1 3.96Å; N591-Y593 VanDerWaalsContact C-N 3.31Å; N591-Y593 PolarHBondContact O-N 3.24Å; N591-Y593 WeakPolarHBondContact OD1-CB 3.47Å; N591-Y593 PolarHBondContact OD1-N 3.24Å; Y593-V596 WeakPolarHBondContact O-CG2 3.36Å; Y593-V596 PolarHBondContact O-N 3.34Å; Y593-M597 VanDerWaalsContact O-CG 3.3Å; Y593-M597 WeakPolarHBondContact O-CG 3.26Å; Y593-M597 PolarHBondContact O-N 2.89Å; Y593-V617 HydrophobicContact CD1-CG1 4.42Å; Y593-V617 HydrophobicContact CE1-CG1 3.75Å; Y593-A618 VanDerWaalsContact OH-CB 3.28Å; Y593-A618 WeakPolarHBondContact OH-CB 3.28Å; Y593-A618 PolarHBondContact OH-N 3.48Å; Y593-D621 HydrophobicContact CE1-CB 4.47Å; Y593-D621 PolarHBondContact OH-OD2 2.89Å
594L93Very high89Confident1 Ų146.4 Ų46.41%0.00523%0.232CC..Hα-helixtrans-67.3-38174.5-58.7-179.2000111.6E528 L547 N559 L560 V563 L589 N591 P592 M597 F598E528-L594 HydrophobicContact CB-CD2 4Å; E528-L594 HydrophobicContact CB-CG 4.17Å; E528-L594 HydrophobicContact CG-CD1 4.1Å; E528-L594 HydrophobicContact CG-CD2 3.8Å; E528-L594 HydrophobicContact CG-CG 3.84Å; L547-L594 HydrophobicContact CD2-CD2 3.95Å; N559-L594 HydrophobicContact CB-CD1 4.34Å; L560-L594 HydrophobicContact CD2-CD1 4.18Å; L560-L594 HydrophobicContact CD2-CD2 4.19Å; V563-L594 HydrophobicContact CB-CD2 4.5Å; V563-L594 HydrophobicContact CG1-CD2 4.34Å; V563-L594 HydrophobicContact CG2-CB 4.34Å; V563-L594 HydrophobicContact CG2-CD1 4.25Å; V563-L594 HydrophobicContact CG2-CD2 4.32Å; L589-L594 HydrophobicContact CD1-CB 4.13Å; L589-L594 HydrophobicContact CD2-CD1 4.18Å; N591-L594 HydrophobicContact CB-CD1 4.05Å; N591-L594 HydrophobicContact CB-CG 4.09Å; N591-L594 PolarHBondContact O-N 3.42Å; P592-L594 PolarHBondContact O-N 2.99Å; L594-M597 HydrophobicContact CD2-SD 4.11Å; L594-M597 WeakPolarHBondContact O-CB 3.39Å; L594-M597 PolarHBondContact O-N 3.35Å; L594-F598 WeakPolarHBondContact O-CD2 3.25Å
595C92.2Very high88.9Confident11 Ų1148.8 Ų48.87%0.07425%0.246CC..Hα-helixtrans-64-42.6176.7-66.80000112.4R586 L589 N591 P592 M597 F598 A599R586-C595 HydrophobicContact CG-CB 4.11Å; R586-C595 PolarHBondContact O-SG 3.2Å; L589-C595 VanDerWaalsContact CB-SG 3.58Å; N591-C595 PolarHBondContact O-N 3.09Å; N591-C595 PolarHBondContact O-SG 3.4Å; P592-C595 WeakPolarHBondContact O-CB 3.34Å; P592-C595 PolarHBondContact O-N 2.9Å; C595-M597 VanDerWaalsContact C-N 3.29Å; C595-M597 PolarHBondContact O-N 2.8Å; C595-F598 PolarHBondContact O-N 3Å; C595-A599 PolarHBondContact O-N 3.07Å
596V94.3Very high88.6Confident0 Ų048.1 Ų48.10%025%0.249CC..Hα-helixtrans-71.9-22.4179.8-62.30000113.2F536 P592 Y593 A599 F600 V611 E614 V617F536-V596 HydrophobicContact CZ-CB 4.33Å; F536-V596 HydrophobicContact CZ-CG2 3.83Å; P592-V596 WeakPolarHBondContact O-CG2 3.41Å; P592-V596 PolarHBondContact O-N 2.84Å; Y593-V596 WeakPolarHBondContact O-CG2 3.36Å; Y593-V596 PolarHBondContact O-N 3.34Å; V596-A599 PolarHBondContact O-N 3.27Å; V596-F600 WeakPolarHBondContact O-CB 3.26Å; V596-F600 PolarHBondContact O-N 2.82Å; V596-V611 HydrophobicContact CB-CB 4.5Å; V596-V611 HydrophobicContact CB-CG1 4.23Å; V596-V611 HydrophobicContact CB-CG2 4.21Å; V596-E614 HydrophobicContact CG1-CB 3.85Å; V596-E614 HydrophobicContact CG1-CG 3.96Å; V596-V617 HydrophobicContact CG1-CG2 3.76Å; V596-V617 HydrophobicContact CG2-CG2 4.18Å
597M93.1Very high88.8Confident0 Ų046.5 Ų46.50%025%0.253CS..Hα-helixtrans-61.4-48.5170.3-69.8172.583.600111.1A531 A532 L535 A543 L547 V563 L567 Y593 L594 C595 F600 L601A531-M597 HydrophobicContact CB-CE 3.97Å; A531-M597 HydrophobicContact CB-SD 4.24Å; A532-M597 HydrophobicContact CB-CG 3.77Å; A532-M597 HydrophobicContact CB-SD 4.17Å; L535-M597 HydrophobicContact CB-CE 4.16Å; L535-M597 HydrophobicContact CD2-CB 3.61Å; L535-M597 HydrophobicContact CD2-CE 3.93Å; L535-M597 HydrophobicContact CD2-CG 3.76Å; A543-M597 HydrophobicContact CB-CE 4.25Å; L547-M597 HydrophobicContact CD1-CE 4.13Å; V563-M597 HydrophobicContact CG1-SD 4.44Å; L567-M597 HydrophobicContact CD1-CE 3.45Å; L567-M597 VanDerWaalsContact CD1-CE 3.45Å; L567-M597 HydrophobicContact CD2-CE 4.34Å; L567-M597 HydrophobicContact CG-CE 4.46Å; Y593-M597 VanDerWaalsContact O-CG 3.3Å; Y593-M597 WeakPolarHBondContact O-CG 3.26Å; Y593-M597 PolarHBondContact O-N 2.89Å; L594-M597 HydrophobicContact CD2-SD 4.11Å; L594-M597 WeakPolarHBondContact O-CB 3.39Å; L594-M597 PolarHBondContact O-N 3.35Å; C595-M597 VanDerWaalsContact C-N 3.29Å; C595-M597 PolarHBondContact O-N 2.8Å; M597-F600 PolarHBondContact O-N 2.71Å; M597-L601 WeakPolarHBondContact O-CG 3.35Å; M597-L601 PolarHBondContact O-N 2.62Å; M597-L601 VanDerWaalsContact O-N 3.16Å
598F91.2Very high89.2Confident1 Ų139.6 Ų39.60%0.00422%0.216CC..Hα-helixtrans-68.2-39.1174.8-68.1-61.7000112.3V563 A566 C582 L589 L594 C595 F600 L601 T602V563-F598 HydrophobicContact CB-CE2 4.47Å; V563-F598 HydrophobicContact CB-CZ 4.32Å; V563-F598 HydrophobicContact CG1-CE2 4.09Å; V563-F598 HydrophobicContact CG1-CZ 3.95Å; V563-F598 HydrophobicContact CG2-CE2 3.79Å; V563-F598 HydrophobicContact CG2-CZ 4.04Å; A566-F598 HydrophobicContact CB-CE1 3.67Å; A566-F598 HydrophobicContact CB-CZ 3.73Å; C582-F598 HydrophobicContact CB-CD1 3.77Å; C582-F598 HydrophobicContact CB-CE1 4.35Å; C582-F598 HydrophobicContact CB-CG 4.34Å; C582-F598 WeakPolarHBondContact SG-CD1 3.31Å; C582-F598 VanDerWaalsContact SG-CE1 3.56Å; L589-F598 HydrophobicContact CD1-CD2 3.87Å; L589-F598 HydrophobicContact CD1-CE2 3.53Å; L594-F598 WeakPolarHBondContact O-CD2 3.25Å; C595-F598 PolarHBondContact O-N 3Å; F598-F600 VanDerWaalsContact C-N 3.27Å; F598-F600 PolarHBondContact O-N 2.72Å; F598-L601 PolarHBondContact O-N 3.49Å; F598-T602 WeakPolarHBondContact O-CB 3.41Å; F598-T602 WeakPolarHBondContact O-CG2 3.35Å; F598-T602 PolarHBondContact O-N 2.8Å; F598-T602 PolarHBondContact O-OG1 3.25Å
599A90.9Very high89.5Confident1 Ų137.9 Ų37.91%0.00821%0.212CC..Hα-helixtrans-57.1-44.5175.500000110.6C595 V596 T602 S603 V611C595-A599 PolarHBondContact O-N 3.07Å; V596-A599 PolarHBondContact O-N 3.27Å; A599-T602 PolarHBondContact O-N 3.15Å; A599-T602 PolarHBondContact O-OG1 3.21Å; A599-S603 VanDerWaalsContact O-CB 3.32Å; A599-S603 WeakPolarHBondContact O-CB 3.44Å; A599-S603 PolarHBondContact O-N 2.79Å; A599-S603 PolarHBondContact O-OG 2.94Å; A599-V611 HydrophobicContact CB-CG2 4.04Å
600F91.6Very high89.7Confident10 Ų1037.9 Ų37.94%0.04422%0.216CC..Hα-helixtrans-62.6-48.8178177.7-131.3000112.7W479 L535 F536 L538 V596 M597 F598 T602 S603 Y608 V611 F625 F629W479-F600 HydrophobicContact CH2-CD1 4.18Å; W479-F600 AromaticContact CH2-CE1 3.57Å; W479-F600 HydrophobicContact CH2-CE1 3.57Å; W479-F600 HydrophobicContact CH2-CZ 4.35Å; W479-F600 HydrophobicContact CZ2-CE1 4.3Å; W479-F600 HydrophobicContact CZ3-CE1 4.35Å; L535-F600 HydrophobicContact CD2-CD1 4.22Å; L535-F600 HydrophobicContact CG-CD1 4.23Å; F536-F600 HydrophobicContact CD1-CB 4.42Å; F536-F600 AromaticContact CD1-CD1 3.83Å; F536-F600 HydrophobicContact CD1-CD1 3.83Å; F536-F600 HydrophobicContact CD1-CE1 4.24Å; F536-F600 HydrophobicContact CD1-CG 4.1Å; F536-F600 HydrophobicContact CE1-CB 3.93Å; F536-F600 HydrophobicContact CE1-CD1 4.19Å; F536-F600 HydrophobicContact CE1-CG 4.1Å; L538-F600 HydrophobicContact CD2-CE1 4.29Å; L538-F600 HydrophobicContact CD2-CZ 4.07Å; V596-F600 WeakPolarHBondContact O-CB 3.26Å; V596-F600 PolarHBondContact O-N 2.82Å; M597-F600 PolarHBondContact O-N 2.71Å; F598-F600 VanDerWaalsContact C-N 3.27Å; F598-F600 PolarHBondContact O-N 2.72Å; F600-T602 VanDerWaalsContact C-N 3.27Å; F600-T602 PolarHBondContact O-N 2.94Å; F600-S603 PolarHBondContact O-N 2.82Å; F600-Y608 HydrophobicContact CD2-CD1 4.04Å; F600-Y608 AromaticContact CD2-CE1 3.84Å; F600-Y608 HydrophobicContact CD2-CE1 3.84Å; F600-Y608 HydrophobicContact CE2-CD1 4.38Å; F600-Y608 AromaticContact CE2-CE1 3.79Å; F600-Y608 HydrophobicContact CE2-CE1 3.79Å; F600-V611 HydrophobicContact CB-CG2 4Å; F600-F625 AromaticContact CD2-CE2 3.52Å; F600-F625 HydrophobicContact CD2-CE2 3.52Å; F600-F625 AromaticContact CD2-CZ 3.48Å; F600-F625 HydrophobicContact CD2-CZ 3.48Å; F600-F625 VanDerWaalsContact CD2-CZ 3.48Å; F600-F625 AromaticContact CE2-CE2 3.7Å; F600-F625 HydrophobicContact CE2-CE2 3.7Å; F600-F625 AromaticContact CE2-CZ 3.73Å; F600-F625 HydrophobicContact CE2-CZ 3.73Å; F600-F625 HydrophobicContact CG-CE2 4.02Å; F600-F625 HydrophobicContact CG-CZ 4.33Å; F600-F625 HydrophobicContact CZ-CE2 4.34Å; F600-F629 HydrophobicContact CE1-CZ 4.45Å; F600-F629 HydrophobicContact CE2-CD1 4.48Å; F600-F629 HydrophobicContact CE2-CD2 4.36Å; F600-F629 HydrophobicContact CE2-CE1 4.18Å; F600-F629 HydrophobicContact CE2-CE2 4.03Å; F600-F629 AromaticContact CE2-CZ 3.94Å; F600-F629 HydrophobicContact CE2-CZ 3.94Å; F600-F629 AromaticContact CZ-CE1 3.94Å; F600-F629 HydrophobicContact CZ-CE1 3.94Å; F600-F629 AromaticContact CZ-CE2 3.92Å; F600-F629 HydrophobicContact CZ-CE2 3.92Å; F600-F629 AromaticContact CZ-CZ 3.5Å; F600-F629 HydrophobicContact CZ-CZ 3.5Å
601L88.6Confident90Very high5 Ų528.6 Ų28.63%0.02618%0.176CC..Hα-helixtrans-68.8-23.8-178.2-66.3175.5000114.1W479 L535 L567 Y570 W578 M597 F598W479-L601 HydrophobicContact CH2-CD2 3.33Å; W479-L601 HydrophobicContact CZ2-CD2 3.58Å; W479-L601 HydrophobicContact CZ3-CD2 4.26Å; L535-L601 HydrophobicContact CD1-CD2 4.32Å; L535-L601 HydrophobicContact CD2-CD1 4.22Å; L535-L601 HydrophobicContact CD2-CD2 4.48Å; L535-L601 HydrophobicContact CD2-CG 4.16Å; L567-L601 HydrophobicContact CD2-CD1 3.38Å; Y570-L601 HydrophobicContact CD2-CB 4.05Å; Y570-L601 HydrophobicContact CD2-CD1 4.06Å; Y570-L601 HydrophobicContact CD2-CD2 3.84Å; Y570-L601 HydrophobicContact CD2-CG 4.21Å; Y570-L601 HydrophobicContact CE2-CB 3.85Å; Y570-L601 HydrophobicContact CE2-CD2 3.68Å; Y570-L601 HydrophobicContact CE2-CG 4.23Å; Y570-L601 HydrophobicContact CG-CD2 4.33Å; W578-L601 HydrophobicContact CH2-CB 3.79Å; W578-L601 HydrophobicContact CH2-CD1 3.95Å; W578-L601 HydrophobicContact CZ2-CD1 4.26Å; W578-L601 HydrophobicContact CZ3-CB 4.41Å; M597-L601 WeakPolarHBondContact O-CG 3.35Å; M597-L601 PolarHBondContact O-N 2.62Å; M597-L601 VanDerWaalsContact O-N 3.16Å; F598-L601 PolarHBondContact O-N 3.49Å
602T87.2Confident90.2Very high35 Ų3526.9 Ų26.922%0.21517%0.167CC..Hα-helixtrans-96.2-11.6179.456.20000113.3W578 R579 C582 F598 A599 F600W578-T602 HydrophobicContact CZ3-CG2 4.15Å; R579-T602 HydrophobicContact CG-CG2 4.42Å; R579-T602 PolarHBondContact NH1-O 2.86Å; C582-T602 HydrophobicContact CB-CG2 4.12Å; F598-T602 WeakPolarHBondContact O-CB 3.41Å; F598-T602 WeakPolarHBondContact O-CG2 3.35Å; F598-T602 PolarHBondContact O-N 2.8Å; F598-T602 PolarHBondContact O-OG1 3.25Å; A599-T602 PolarHBondContact O-N 3.15Å; A599-T602 PolarHBondContact O-OG1 3.21Å; F600-T602 VanDerWaalsContact C-N 3.27Å; F600-T602 PolarHBondContact O-N 2.94Å
603S88.4Confident90.2Very high30 Ų3029.8 Ų29.821%0.2118%0.175CC..SBendtrans-74.5148.7-179.4-69.10000112.4A599 F600 A607A599-S603 VanDerWaalsContact O-CB 3.32Å; A599-S603 WeakPolarHBondContact O-CB 3.44Å; A599-S603 PolarHBondContact O-N 2.79Å; A599-S603 PolarHBondContact O-OG 2.94Å; F600-S603 PolarHBondContact O-N 2.82Å; S603-A607 WeakPolarHBondContact CB-O 3.39Å; S603-A607 PolarHBondContact OG-O 3.05Å
604E84.5Confident90.1Very high103 Ų10331 Ų3148%0.48118%0.182SC..PPolyproline II helixtrans-79.4149.8168.4-61.2-160.1141.700110.8K574 G606 A607K574-E604 IonicContact NZ-OE1 3.69Å; K574-E604 PolarHBondContact NZ-OE1 3.37Å; E604-G606 PolarHBondContact O-N 3.49Å; E604-A607 HydrophobicContact CB-CB 4.44Å; E604-A607 PolarHBondContact O-N 3.22Å
605P82.1Confident89.9Confident110 Ų11035.4 Ų35.471%0.71421%0.213SC*.THydrogen-bonded Turntrans-53.7123.1177.3-26.634.8000112.2
606G79.4Confident89.8Confident25 Ų2542.1 Ų42.126%0.25824%0.241SC..THydrogen-bonded Turntrans87.2-5.1-178.100000115.5E604 Q634E604-G606 PolarHBondContact O-N 3.49Å; G606-Q634 PolarHBondContact O-NE2 2.9Å
607A88.8Confident89.7Confident49 Ų4942.2 Ų42.241%0.40524%0.242SC..  trans-116.568.8178.200000111.2S603 E604S603-A607 WeakPolarHBondContact CB-O 3.39Å; S603-A607 PolarHBondContact OG-O 3.05Å; E604-A607 HydrophobicContact CB-CB 4.44Å; E604-A607 PolarHBondContact O-N 3.22Å
608Y93.1Very high89.6Confident10 Ų1043.2 Ų43.24%0.03925%0.25CC..  trans-101.327.9-172.4-57.9-70000114.5F600 G610 V611 L612 F625 F629 L630F600-Y608 HydrophobicContact CD2-CD1 4.04Å; F600-Y608 AromaticContact CD2-CE1 3.84Å; F600-Y608 HydrophobicContact CD2-CE1 3.84Å; F600-Y608 HydrophobicContact CE2-CD1 4.38Å; F600-Y608 AromaticContact CE2-CE1 3.79Å; F600-Y608 HydrophobicContact CE2-CE1 3.79Å; Y608-G610 PolarHBondContact O-N 3.15Å; Y608-G610 VanDerWaalsContact O-N 3.14Å; Y608-V611 PolarHBondContact O-N 2.94Å; Y608-L612 WeakPolarHBondContact O-CG 3.36Å; Y608-L612 PolarHBondContact O-N 3.34Å; Y608-F625 HydrophobicContact CD1-CE1 4.09Å; Y608-F625 AromaticContact CD1-CZ 3.78Å; Y608-F625 HydrophobicContact CD1-CZ 3.78Å; Y608-F625 HydrophobicContact CD2-CE1 4.16Å; Y608-F625 HydrophobicContact CD2-CZ 4.49Å; Y608-F625 HydrophobicContact CE1-CZ 4.28Å; Y608-F625 AromaticContact CG-CE1 3.7Å; Y608-F625 HydrophobicContact CG-CE1 3.7Å; Y608-F625 AromaticContact CG-CZ 3.89Å; Y608-F625 HydrophobicContact CG-CZ 3.89Å; Y608-F629 HydrophobicContact CD2-CB 4.04Å; Y608-F629 HydrophobicContact CE2-CB 3.61Å; Y608-F629 HydrophobicContact CE2-CG 4.43Å; Y608-L630 HydrophobicContact CD2-CD2 4.36Å
609D91.8Very high89.7Confident100 Ų10043.3 Ų43.354%0.53525%0.25SS..Hα-helixtrans-56.7-34.7-174.5-65.8-29.3000112.8V611 L612 Y613D609-V611 PolarHBondContact O-N 3.05Å; D609-L612 PolarHBondContact O-N 2.79Å; D609-Y613 HydrophobicContact CB-CD2 3.95Å; D609-Y613 HydrophobicContact CB-CE2 4.39Å; D609-Y613 PolarHBondContact O-N 3.03Å; D609-Y613 WeakPolarHBondContact OD1-CE2 3.4Å
610G89.3Confident89.7Confident20 Ų2044.9 Ų44.921%0.20626%0.256CS..Hα-helixtrans-66.2-14.917800000115.2R586 Y608R586-G610 PolarHBondContact NH2-O 2.97Å; Y608-G610 PolarHBondContact O-N 3.15Å; Y608-G610 VanDerWaalsContact O-N 3.14Å
611V93.5Very high89.8Confident1 Ų144.4 Ų44.41%0.00625%0.254CS..Hα-helixtrans-102.6-45.1173-177.70000110.4F536 V596 A599 F600 Y608 D609 Y613 F625F536-V611 HydrophobicContact CE1-CG1 4.25Å; F536-V611 HydrophobicContact CZ-CG1 3.81Å; V596-V611 HydrophobicContact CB-CB 4.5Å; V596-V611 HydrophobicContact CB-CG1 4.23Å; V596-V611 HydrophobicContact CB-CG2 4.21Å; A599-V611 HydrophobicContact CB-CG2 4.04Å; F600-V611 HydrophobicContact CB-CG2 4Å; Y608-V611 PolarHBondContact O-N 2.94Å; D609-V611 PolarHBondContact O-N 3.05Å; V611-Y613 PolarHBondContact O-N 2.92Å; V611-F625 HydrophobicContact CB-CD1 4.4Å; V611-F625 HydrophobicContact CB-CE1 4.18Å; V611-F625 HydrophobicContact CB-CZ 4.34Å; V611-F625 HydrophobicContact CG1-CD1 3.9Å; V611-F625 HydrophobicContact CG1-CD2 4.02Å; V611-F625 HydrophobicContact CG1-CE1 4.09Å; V611-F625 HydrophobicContact CG1-CE2 4.18Å; V611-F625 HydrophobicContact CG1-CG 3.88Å; V611-F625 HydrophobicContact CG1-CZ 4.22Å; V611-F625 HydrophobicContact CG2-CZ 4.29Å
612L94.1Very high90.1Very high5 Ų544.9 Ų44.93%0.02626%0.255CS..Hα-helixtrans-70.5-31.9-172.3-66.7174.7000113.8Y608 D609 R622 F625 A626 L630 Y638Y608-L612 WeakPolarHBondContact O-CG 3.36Å; Y608-L612 PolarHBondContact O-N 3.34Å; D609-L612 PolarHBondContact O-N 2.79Å; L612-R622 WeakPolarHBondContact O-CD 3.47Å; L612-R622 PolarHBondContact O-NH1 3.08Å; L612-F625 HydrophobicContact CD2-CD1 3.82Å; L612-F625 HydrophobicContact CD2-CE1 4.43Å; L612-F625 HydrophobicContact CG-CD1 4.43Å; L612-A626 HydrophobicContact CD2-CB 3.77Å; L612-L630 HydrophobicContact CD1-CD1 3.93Å; L612-L630 HydrophobicContact CD1-CD2 3.92Å; L612-L630 HydrophobicContact CD1-CG 4.23Å; L612-Y638 HydrophobicContact CB-CD2 4.33Å; L612-Y638 HydrophobicContact CB-CE2 3.7Å; L612-Y638 HydrophobicContact CD1-CD2 4.38Å; L612-Y638 HydrophobicContact CD1-CE2 4.47Å; L612-Y638 HydrophobicContact CD2-CE1 4.06Å; L612-Y638 HydrophobicContact CD2-CE2 4.1Å; L612-Y638 HydrophobicContact CG-CE2 4.31Å; L612-Y638 PolarHBondContact O-OH 3.43Å
613Y93.4Very high90.4Very high85 Ų8543.2 Ų43.233%0.33325%0.245SC..THydrogen-bonded Turntrans-107.311.6-176.6-62.3-67.9000114D609 V611 S615 Y638 K641D609-Y613 HydrophobicContact CB-CD2 3.95Å; D609-Y613 HydrophobicContact CB-CE2 4.39Å; D609-Y613 PolarHBondContact O-N 3.03Å; D609-Y613 WeakPolarHBondContact OD1-CE2 3.4Å; V611-Y613 PolarHBondContact O-N 2.92Å; Y613-S615 PolarHBondContact O-N 3.41Å; Y613-S615 VanDerWaalsContact O-N 3.16Å; Y613-Y638 HydrophobicContact CE1-CD2 4.32Å; Y613-Y638 HydrophobicContact CE1-CE2 4.18Å; Y613-K641 HydrophobicContact CE1-CD 4.03Å; Y613-K641 PolarHBondContact OH-NZ 2.86Å
614E92Very high90.6Very high49 Ų4941.8 Ų41.823%0.22924%0.235CC..  trans-75.899.9170.1-178.456.3-113.900109.9P592 V596 K616 V617 R622P592-E614 HydrophobicContact CB-CG 4.2Å; V596-E614 HydrophobicContact CG1-CB 3.85Å; V596-E614 HydrophobicContact CG1-CG 3.96Å; E614-K616 PolarHBondContact O-N 3.25Å; E614-V617 HydrophobicContact CB-CG2 4.19Å; E614-V617 HydrophobicContact CG-CG2 3.8Å; E614-V617 PolarHBondContact O-N 3.17Å; E614-V617 VanDerWaalsContact O-N 3.13Å; E614-R622 WeakPolarHBondContact O-CD 3.47Å
615S87.4Confident91Very high94 Ų9436.9 Ų36.966%0.65721%0.212SC*.THydrogen-bonded Turntrans-64.3-23.2-170.959.60000114.2Y613 V617Y613-S615 PolarHBondContact O-N 3.41Å; Y613-S615 VanDerWaalsContact O-N 3.16Å; S615-V617 VanDerWaalsContact C-N 3.33Å
616K90Very high91.6Very high151 Ų15131.6 Ų31.666%0.65718%0.178SC*.THydrogen-bonded Turntrans-80.7-10.1178.7-63.9-178.7-179.8177.20113.9P592 E614P592-K616 HydrophobicContact CB-CB 3.7Å; P592-K616 HydrophobicContact CG-CB 3.82Å; E614-K616 PolarHBondContact O-N 3.25Å
617V92.3Very high92.1Very high3 Ų330.4 Ų30.42%0.01817%0.166CC..SBendtrans-83.7136.4171.5177.10000109.3P592 Y593 V596 E614 S615 V619 D621 R622P592-V617 HydrophobicContact CB-CG2 4.01Å; Y593-V617 HydrophobicContact CD1-CG1 4.42Å; Y593-V617 HydrophobicContact CE1-CG1 3.75Å; V596-V617 HydrophobicContact CG1-CG2 3.76Å; V596-V617 HydrophobicContact CG2-CG2 4.18Å; E614-V617 HydrophobicContact CB-CG2 4.19Å; E614-V617 HydrophobicContact CG-CG2 3.8Å; E614-V617 PolarHBondContact O-N 3.17Å; E614-V617 VanDerWaalsContact O-N 3.13Å; S615-V617 VanDerWaalsContact C-N 3.33Å; V617-V619 PolarHBondContact O-N 3.32Å; V617-D621 HydrophobicContact CG1-CB 4.18Å; V617-R622 HydrophobicContact CB-CG 3.97Å; V617-R622 HydrophobicContact CG1-CG 3.73Å; V617-R622 PolarHBondContact O-NE 3.37Å
618A91.2Very high92.2Very high21 Ų2128.1 Ų28.117%0.17415%0.147CC..  trans-54.3137.4-178.200000111Y593 R620 D621 R622Y593-A618 VanDerWaalsContact OH-CB 3.28Å; Y593-A618 WeakPolarHBondContact OH-CB 3.28Å; Y593-A618 PolarHBondContact OH-N 3.48Å; A618-R620 HydrophobicContact CB-CG 4.03Å; A618-R620 PolarHBondContact O-N 3.09Å; A618-D621 PolarHBondContact O-N 3.19Å; A618-R622 PolarHBondContact O-N 2.87Å
619V93.3Very high92.1Very high2 Ų227.8 Ų27.81%0.01215%0.145CC..Hα-helixtrans-56.4-41.6-175.91710000110.7V617 D621 R622 V623 L642 M646 E653 L657V617-V619 PolarHBondContact O-N 3.32Å; V619-D621 VanDerWaalsContact C-N 3.29Å; V619-D621 PolarHBondContact O-N 2.95Å; V619-R622 PolarHBondContact O-N 3.31Å; V619-V623 HydrophobicContact CG1-CG2 4.09Å; V619-V623 WeakPolarHBondContact O-CB 3.47Å; V619-V623 WeakPolarHBondContact O-CG2 3.33Å; V619-V623 PolarHBondContact O-N 2.99Å; V619-L642 HydrophobicContact CG1-CD2 4.17Å; V619-M646 HydrophobicContact CG2-CE 3.63Å; V619-M646 HydrophobicContact CG2-SD 3.84Å; V619-E653 HydrophobicContact CB-CB 4.07Å; V619-E653 VanDerWaalsContact CB-OE2 3.28Å; V619-E653 WeakPolarHBondContact CB-OE2 3.31Å; V619-E653 HydrophobicContact CG2-CB 3.92Å; V619-E653 VanDerWaalsContact CG2-OE2 3.23Å; V619-E653 WeakPolarHBondContact CG2-OE2 3.33Å; V619-E653 PolarHBondContact N-OE2 3.1Å; V619-L657 HydrophobicContact CG1-CD1 4.31Å
620R91.9Very high92.1Very high34 Ų3423.3 Ų23.313%0.12812%0.121CC..Hα-helixtrans-56.1-39.1177.162.1179.161.6-176.6-1113.8S431 D435 C503 A618 A624 L656S431-R620 PolarHBondContact OG-NH2 2.9Å; D435-R620 IonicContact OD1-CZ 2.71Å; D435-R620 IonicContact OD1-NE 3.56Å; D435-R620 IonicContact OD1-NH2 2.72Å; D435-R620 PolarHBondContact OD1-NH2 3.23Å; D435-R620 IonicContact OD2-NH2 3.18Å; C503-R620 HydrophobicContact CB-CB 4.29Å; C503-R620 PolarHBondContact SG-O 2.93Å; C503-R620 VanDerWaalsContact SG-O 3.34Å; A618-R620 HydrophobicContact CB-CG 4.03Å; A618-R620 PolarHBondContact O-N 3.09Å; R620-A624 VanDerWaalsContact O-CB 3.29Å; R620-A624 WeakPolarHBondContact O-CB 3.42Å; R620-A624 PolarHBondContact O-N 2.59Å; R620-L656 HydrophobicContact CB-CD2 3.74Å
621D92.7Very high92.1Very high1 Ų123.9 Ų23.91%0.00512%0.122CC..Hα-helixtrans-78.8-35.8-177.2-64.1-27.7000110.7W505 R529 Y593 V617 A618 V619 V623 A624 F625W505-D621 HydrophobicContact CZ2-CB 4.17Å; W505-D621 PolarHBondContact NE1-OD1 3.12Å; R529-D621 IonicContact CZ-OD1 3.44Å; R529-D621 IonicContact CZ-OD2 3.33Å; R529-D621 VanDerWaalsContact CZ-OD2 3.31Å; R529-D621 IonicContact NE-OD2 3.05Å; R529-D621 PolarHBondContact NE-OD2 2.86Å; R529-D621 IonicContact NH2-OD1 3.46Å; R529-D621 PolarHBondContact NH2-OD1 3.03Å; R529-D621 VanDerWaalsContact NH2-OD1 3.07Å; R529-D621 IonicContact NH2-OD2 3Å; R529-D621 PolarHBondContact NH2-OD2 3.4Å; Y593-D621 HydrophobicContact CE1-CB 4.47Å; Y593-D621 PolarHBondContact OH-OD2 2.89Å; V617-D621 HydrophobicContact CG1-CB 4.18Å; A618-D621 PolarHBondContact O-N 3.19Å; V619-D621 VanDerWaalsContact C-N 3.29Å; V619-D621 PolarHBondContact O-N 2.95Å; D621-V623 VanDerWaalsContact C-N 3.35Å; D621-A624 PolarHBondContact O-N 3.49Å; D621-F625 VanDerWaalsContact O-CB 3.28Å; D621-F625 WeakPolarHBondContact O-CB 3.28Å; D621-F625 PolarHBondContact O-N 2.92Å
622R94.9Very high91.9Very high14 Ų1427 Ų275%0.05314%0.139CC..Hα-helixtrans-63.9-40.5172-64.1-170.9-82149.4-5.2111.9L612 E614 V617 A618 V619 A626 Y638L612-R622 WeakPolarHBondContact O-CD 3.47Å; L612-R622 PolarHBondContact O-NH1 3.08Å; E614-R622 WeakPolarHBondContact O-CD 3.47Å; V617-R622 HydrophobicContact CB-CG 3.97Å; V617-R622 HydrophobicContact CG1-CG 3.73Å; V617-R622 PolarHBondContact O-NE 3.37Å; A618-R622 PolarHBondContact O-N 2.87Å; V619-R622 PolarHBondContact O-N 3.31Å; R622-A626 WeakPolarHBondContact O-CB 3.37Å; R622-A626 PolarHBondContact O-N 2.81Å; R622-Y638 WeakPolarHBondContact CB-OH 3.47Å
623V94.4Very high91.6Very high0 Ų029.8 Ų29.80%016%0.163CC..Hα-helixtrans-68.7-44.8176.7174.40000111I462 V619 D621 F625 A626 C627 I639 L642 L657I462-V623 HydrophobicContact CD1-CG1 3.58Å; I462-V623 HydrophobicContact CG2-CG1 4.03Å; V619-V623 HydrophobicContact CG1-CG2 4.09Å; V619-V623 WeakPolarHBondContact O-CB 3.47Å; V619-V623 WeakPolarHBondContact O-CG2 3.33Å; V619-V623 PolarHBondContact O-N 2.99Å; D621-V623 VanDerWaalsContact C-N 3.35Å; V623-F625 VanDerWaalsContact C-N 3.34Å; V623-F625 PolarHBondContact O-N 3.27Å; V623-A626 WeakPolarHBondContact O-CB 3.48Å; V623-A626 PolarHBondContact O-N 2.67Å; V623-C627 PolarHBondContact O-N 3.04Å; V623-C627 PolarHBondContact O-SG 3.46Å; V623-C627 VanDerWaalsContact O-SG 3.32Å; V623-I639 HydrophobicContact CG1-CD1 3.99Å; V623-I639 HydrophobicContact CG2-CD1 4.25Å; V623-L642 HydrophobicContact CG2-CD2 3.77Å; V623-L657 HydrophobicContact CG1-CD2 4.42Å; V623-L657 HydrophobicContact CG2-CD2 3.62Å
624A92Very high91.5Very high0 Ų029.2 Ų29.20%016%0.163CC..Hα-helixtrans-59.2-45.7175.100000111.8L500 C503 W505 R620 D621 A626 C627 M628L500-A624 HydrophobicContact CD2-CB 3.73Å; L500-A624 WeakPolarHBondContact CD2-O 3.48Å; C503-A624 HydrophobicContact CB-CB 3.87Å; W505-A624 HydrophobicContact CD2-CB 3.53Å; W505-A624 HydrophobicContact CE3-CB 4.02Å; W505-A624 HydrophobicContact CG-CB 3.93Å; W505-A624 HydrophobicContact CH2-CB 4.06Å; W505-A624 HydrophobicContact CZ2-CB 3.61Å; W505-A624 HydrophobicContact CZ3-CB 4.29Å; R620-A624 VanDerWaalsContact O-CB 3.29Å; R620-A624 WeakPolarHBondContact O-CB 3.42Å; R620-A624 PolarHBondContact O-N 2.59Å; D621-A624 PolarHBondContact O-N 3.49Å; A624-A626 PolarHBondContact O-N 2.95Å; A624-C627 PolarHBondContact O-N 3.41Å; A624-M628 WeakPolarHBondContact O-CG 3.48Å; A624-M628 PolarHBondContact O-N 2.84Å
625F93.8Very high91.5Very high0 Ų026.9 Ų26.90%015%0.152CC..Hα-helixtrans-57.7-48.4174.2-177.6-84.8000111.7F536 F600 Y608 V611 L612 D621 V623 C627 M628 F629F536-F625 HydrophobicContact CB-CD2 4.17Å; F536-F625 AromaticContact CD1-CD2 3.49Å; F536-F625 HydrophobicContact CD1-CD2 3.49Å; F536-F625 VanDerWaalsContact CD1-CD2 3.49Å; F536-F625 AromaticContact CD1-CE2 3.5Å; F536-F625 HydrophobicContact CD1-CE2 3.5Å; F536-F625 AromaticContact CD2-CD2 3.96Å; F536-F625 HydrophobicContact CD2-CD2 3.96Å; F536-F625 AromaticContact CE1-CD2 3.71Å; F536-F625 HydrophobicContact CE1-CD2 3.71Å; F536-F625 AromaticContact CE1-CE2 3.68Å; F536-F625 HydrophobicContact CE1-CE2 3.68Å; F536-F625 HydrophobicContact CE2-CD2 4.13Å; F536-F625 AromaticContact CG-CD2 3.63Å; F536-F625 HydrophobicContact CG-CD2 3.63Å; F536-F625 HydrophobicContact CG-CE2 4.09Å; F536-F625 HydrophobicContact CZ-CD2 4Å; F536-F625 HydrophobicContact CZ-CE2 4.37Å; F600-F625 AromaticContact CD2-CE2 3.52Å; F600-F625 HydrophobicContact CD2-CE2 3.52Å; F600-F625 AromaticContact CD2-CZ 3.48Å; F600-F625 HydrophobicContact CD2-CZ 3.48Å; F600-F625 VanDerWaalsContact CD2-CZ 3.48Å; F600-F625 AromaticContact CE2-CE2 3.7Å; F600-F625 HydrophobicContact CE2-CE2 3.7Å; F600-F625 AromaticContact CE2-CZ 3.73Å; F600-F625 HydrophobicContact CE2-CZ 3.73Å; F600-F625 HydrophobicContact CG-CE2 4.02Å; F600-F625 HydrophobicContact CG-CZ 4.33Å; F600-F625 HydrophobicContact CZ-CE2 4.34Å; Y608-F625 HydrophobicContact CD1-CE1 4.09Å; Y608-F625 AromaticContact CD1-CZ 3.78Å; Y608-F625 HydrophobicContact CD1-CZ 3.78Å; Y608-F625 HydrophobicContact CD2-CE1 4.16Å; Y608-F625 HydrophobicContact CD2-CZ 4.49Å; Y608-F625 HydrophobicContact CE1-CZ 4.28Å; Y608-F625 AromaticContact CG-CE1 3.7Å; Y608-F625 HydrophobicContact CG-CE1 3.7Å; Y608-F625 AromaticContact CG-CZ 3.89Å; Y608-F625 HydrophobicContact CG-CZ 3.89Å; V611-F625 HydrophobicContact CB-CD1 4.4Å; V611-F625 HydrophobicContact CB-CE1 4.18Å; V611-F625 HydrophobicContact CB-CZ 4.34Å; V611-F625 HydrophobicContact CG1-CD1 3.9Å; V611-F625 HydrophobicContact CG1-CD2 4.02Å; V611-F625 HydrophobicContact CG1-CE1 4.09Å; V611-F625 HydrophobicContact CG1-CE2 4.18Å; V611-F625 HydrophobicContact CG1-CG 3.88Å; V611-F625 HydrophobicContact CG1-CZ 4.22Å; V611-F625 HydrophobicContact CG2-CZ 4.29Å; L612-F625 HydrophobicContact CD2-CD1 3.82Å; L612-F625 HydrophobicContact CD2-CE1 4.43Å; L612-F625 HydrophobicContact CG-CD1 4.43Å; D621-F625 VanDerWaalsContact O-CB 3.28Å; D621-F625 WeakPolarHBondContact O-CB 3.28Å; D621-F625 PolarHBondContact O-N 2.92Å; V623-F625 VanDerWaalsContact C-N 3.34Å; V623-F625 PolarHBondContact O-N 3.27Å; F625-C627 VanDerWaalsContact C-N 3.32Å; F625-C627 PolarHBondContact O-N 2.82Å; F625-M628 PolarHBondContact O-N 3.28Å; F625-M628 VanDerWaalsContact O-N 3.07Å; F625-F629 HydrophobicContact CD1-CD2 4.13Å; F625-F629 AromaticContact CD2-CD2 3.62Å; F625-F629 HydrophobicContact CD2-CD2 3.62Å; F625-F629 AromaticContact CD2-CE2 3.71Å; F625-F629 HydrophobicContact CD2-CE2 3.71Å; F625-F629 HydrophobicContact CE1-CB 4.24Å; F625-F629 AromaticContact CE1-CD2 3.87Å; F625-F629 HydrophobicContact CE1-CD2 3.87Å; F625-F629 HydrophobicContact CE1-CG 4.42Å; F625-F629 AromaticContact CE2-CD2 3.36Å; F625-F629 HydrophobicContact CE2-CD2 3.36Å; F625-F629 AromaticContact CE2-CE2 3.44Å; F625-F629 HydrophobicContact CE2-CE2 3.44Å; F625-F629 VanDerWaalsContact CE2-CE2 3.44Å; F625-F629 HydrophobicContact CE2-CG 4.39Å; F625-F629 HydrophobicContact CG-CD2 4Å; F625-F629 HydrophobicContact CG-CE2 4.48Å; F625-F629 HydrophobicContact CZ-CB 4.38Å; F625-F629 AromaticContact CZ-CD2 3.48Å; F625-F629 HydrophobicContact CZ-CD2 3.48Å; F625-F629 VanDerWaalsContact CZ-CD2 3.48Å; F625-F629 HydrophobicContact CZ-CE2 4.01Å; F625-F629 HydrophobicContact CZ-CG 4.14Å; F625-F629 WeakPolarHBondContact O-CD2 3.27Å; F625-F629 PolarHBondContact O-N 2.82Å; F625-F629 VanDerWaalsContact O-N 3.13Å
626A93.9Very high91.7Very high0 Ų024.1 Ų24.10%013%0.132CC..Hα-helixtrans-57.3-44.1176.900000112.1L612 R622 V623 A624 M628 F629 L630 L635 Y638L612-A626 HydrophobicContact CD2-CB 3.77Å; R622-A626 WeakPolarHBondContact O-CB 3.37Å; R622-A626 PolarHBondContact O-N 2.81Å; V623-A626 WeakPolarHBondContact O-CB 3.48Å; V623-A626 PolarHBondContact O-N 2.67Å; A624-A626 PolarHBondContact O-N 2.95Å; A626-M628 PolarHBondContact O-N 2.9Å; A626-F629 PolarHBondContact O-N 2.96Å; A626-L630 HydrophobicContact CB-CD1 3.82Å; A626-L630 HydrophobicContact CB-CG 4.25Å; A626-L630 WeakPolarHBondContact O-CB 3.48Å; A626-L630 PolarHBondContact O-N 2.89Å; A626-L635 HydrophobicContact CB-CD1 3.78Å; A626-Y638 HydrophobicContact CB-CD1 3.59Å; A626-Y638 HydrophobicContact CB-CE1 3.52Å
627C91.1Very high91.9Very high0 Ų025.9 Ų25.90%013%0.134CC..Hα-helixtrans-62.3-23.9177.9-72.40000113.6R496 L500 V623 A624 F625R496-C627 WeakPolarHBondContact CD-O 3.49Å; R496-C627 PolarHBondContact NH1-O 3.02Å; L500-C627 HydrophobicContact CD2-CB 4.24Å; L500-C627 HydrophobicContact CG-CB 4.23Å; V623-C627 PolarHBondContact O-N 3.04Å; V623-C627 PolarHBondContact O-SG 3.46Å; V623-C627 VanDerWaalsContact O-SG 3.32Å; A624-C627 PolarHBondContact O-N 3.41Å; F625-C627 VanDerWaalsContact C-N 3.32Å; F625-C627 PolarHBondContact O-N 2.82Å
628M89.4Confident92.1Very high0 Ų026.1 Ų26.10%014%0.135CC..Hα-helixtrans-88.3-38.1177.1-65.5-172.2-60.600113.4R490 F491 L500 W505 F536 A624 F625 A626R490-M628 WeakPolarHBondContact CA-O 3.5Å; R490-M628 HydrophobicContact CG-CB 4.28Å; R490-M628 VanDerWaalsContact CZ-SD 3.5Å; R490-M628 PolarHBondContact NH2-SD 3.45Å; F491-M628 PolarHBondContact N-O 2.77Å; L500-M628 HydrophobicContact CD1-CG 4.19Å; L500-M628 HydrophobicContact CD2-CG 4.03Å; W505-M628 HydrophobicContact CE3-CE 4.17Å; W505-M628 HydrophobicContact CE3-SD 4.34Å; W505-M628 HydrophobicContact CH2-CE 3.68Å; W505-M628 HydrophobicContact CZ3-CE 3.19Å; W505-M628 HydrophobicContact CZ3-SD 3.86Å; F536-M628 HydrophobicContact CB-CE 3.95Å; A624-M628 WeakPolarHBondContact O-CG 3.48Å; A624-M628 PolarHBondContact O-N 2.84Å; F625-M628 PolarHBondContact O-N 3.28Å; F625-M628 VanDerWaalsContact O-N 3.07Å; A626-M628 PolarHBondContact O-N 2.9Å
629F91.3Very high92.3Very high3 Ų325.2 Ų25.21%0.01313%0.127CC..Hα-helixtrans-116.2-16.1-163.9-64.3-68.2000115.5V488 T489 F491 F536 L538 F600 Y608 F625 A626V488-F629 HydrophobicContact CG1-CD1 4.19Å; V488-F629 HydrophobicContact CG1-CE1 3.72Å; T489-F629 WeakPolarHBondContact O-CD1 3.39Å; F491-F629 WeakPolarHBondContact CE2-O 3.37Å; F536-F629 WeakPolarHBondContact O-CE2 3.31Å; F536-F629 VanDerWaalsContact O-CZ 3.22Å; F536-F629 WeakPolarHBondContact O-CZ 3.42Å; L538-F629 HydrophobicContact CD2-CE1 4.43Å; L538-F629 HydrophobicContact CD2-CZ 4.31Å; F600-F629 HydrophobicContact CE1-CZ 4.45Å; F600-F629 HydrophobicContact CE2-CD1 4.48Å; F600-F629 HydrophobicContact CE2-CD2 4.36Å; F600-F629 HydrophobicContact CE2-CE1 4.18Å; F600-F629 HydrophobicContact CE2-CE2 4.03Å; F600-F629 AromaticContact CE2-CZ 3.94Å; F600-F629 HydrophobicContact CE2-CZ 3.94Å; F600-F629 AromaticContact CZ-CE1 3.94Å; F600-F629 HydrophobicContact CZ-CE1 3.94Å; F600-F629 AromaticContact CZ-CE2 3.92Å; F600-F629 HydrophobicContact CZ-CE2 3.92Å; F600-F629 AromaticContact CZ-CZ 3.5Å; F600-F629 HydrophobicContact CZ-CZ 3.5Å; Y608-F629 HydrophobicContact CD2-CB 4.04Å; Y608-F629 HydrophobicContact CE2-CB 3.61Å; Y608-F629 HydrophobicContact CE2-CG 4.43Å; F625-F629 HydrophobicContact CD1-CD2 4.13Å; F625-F629 AromaticContact CD2-CD2 3.62Å; F625-F629 HydrophobicContact CD2-CD2 3.62Å; F625-F629 AromaticContact CD2-CE2 3.71Å; F625-F629 HydrophobicContact CD2-CE2 3.71Å; F625-F629 HydrophobicContact CE1-CB 4.24Å; F625-F629 AromaticContact CE1-CD2 3.87Å; F625-F629 HydrophobicContact CE1-CD2 3.87Å; F625-F629 HydrophobicContact CE1-CG 4.42Å; F625-F629 AromaticContact CE2-CD2 3.36Å; F625-F629 HydrophobicContact CE2-CD2 3.36Å; F625-F629 AromaticContact CE2-CE2 3.44Å; F625-F629 HydrophobicContact CE2-CE2 3.44Å; F625-F629 VanDerWaalsContact CE2-CE2 3.44Å; F625-F629 HydrophobicContact CE2-CG 4.39Å; F625-F629 HydrophobicContact CG-CD2 4Å; F625-F629 HydrophobicContact CG-CE2 4.48Å; F625-F629 HydrophobicContact CZ-CB 4.38Å; F625-F629 AromaticContact CZ-CD2 3.48Å; F625-F629 HydrophobicContact CZ-CD2 3.48Å; F625-F629 VanDerWaalsContact CZ-CD2 3.48Å; F625-F629 HydrophobicContact CZ-CE2 4.01Å; F625-F629 HydrophobicContact CZ-CG 4.14Å; F625-F629 WeakPolarHBondContact O-CD2 3.27Å; F625-F629 PolarHBondContact O-N 2.82Å; F625-F629 VanDerWaalsContact O-N 3.13Å; A626-F629 PolarHBondContact O-N 2.96Å
630L91.9Very high92.4Very high6 Ų628 Ų283%0.03114%0.142CC..SBendtrans-85.2140.6176.6-67-174000111.6F491 R496 Y608 L612 A626 Q634 L635 Y638F491-L630 VanDerWaalsContact CD2-O 3.25Å; F491-L630 WeakPolarHBondContact CD2-O 3.49Å; R496-L630 VanDerWaalsContact CZ-O 3.26Å; R496-L630 PolarHBondContact NH1-O 2.77Å; R496-L630 PolarHBondContact NH2-O 2.93Å; Y608-L630 HydrophobicContact CD2-CD2 4.36Å; L612-L630 HydrophobicContact CD1-CD1 3.93Å; L612-L630 HydrophobicContact CD1-CD2 3.92Å; L612-L630 HydrophobicContact CD1-CG 4.23Å; A626-L630 HydrophobicContact CB-CD1 3.82Å; A626-L630 HydrophobicContact CB-CG 4.25Å; A626-L630 WeakPolarHBondContact O-CB 3.48Å; A626-L630 PolarHBondContact O-N 2.89Å; L630-Q634 HydrophobicContact CB-CB 4.11Å; L630-Q634 HydrophobicContact CD1-CB 4.43Å; L630-Q634 HydrophobicContact CD2-CB 4.18Å; L630-Q634 HydrophobicContact CG-CB 4.49Å; L630-L635 HydrophobicContact CB-CB 3.97Å; L630-L635 HydrophobicContact CB-CD1 4.48Å; L630-L635 HydrophobicContact CD1-CD1 4.41Å; L630-Y638 HydrophobicContact CD1-CD1 4.09Å; L630-Y638 HydrophobicContact CD1-CG 3.95Å
631S90.2Very high92.6Very high32 Ų3231.1 Ų31.122%0.22416%0.157CC..  trans-65.9164.9171.963.70000112.3A633 Q634 L635S631-A633 PolarHBondContact O-N 3.42Å; S631-Q634 PolarHBondContact O-N 3.19Å; S631-Q634 WeakPolarHBondContact OG-CG 3.14Å; S631-Q634 PolarHBondContact OG-N 2.89Å; S631-Q634 PolarHBondContact OG-OE1 3.39Å; S631-L635 WeakPolarHBondContact O-CB 3.01Å; S631-L635 PolarHBondContact O-N 3.19Å
632D87.9Confident92.8Very high68 Ų6831.1 Ų31.136%0.36416%0.157SC..THydrogen-bonded Turntrans-63.3-21.3178.8-69.7-7.6000113.6T472 R496 P636T472-D632 WeakPolarHBondContact CB-OD2 3.35Å; T472-D632 PolarHBondContact OG1-OD1 2.91Å; T472-D632 PolarHBondContact OG1-OD2 3.42Å; R496-D632 IonicContact CZ-OD1 2.82Å; R496-D632 IonicContact NE-OD1 3.32Å; R496-D632 IonicContact NH2-OD1 3.76Å; R496-D632 PolarHBondContact NH2-OD1 2.62Å; D632-P636 WeakPolarHBondContact O-CD 3.46Å; D632-P636 WeakPolarHBondContact O-CG 3.37Å
633A88.1Confident92.9Very high63 Ų6330.5 Ų30.552%0.52116%0.155SC..THydrogen-bonded Turntrans-80.2-32173.400000112.7S631 R637S631-A633 PolarHBondContact O-N 3.42Å; A633-R637 WeakPolarHBondContact O-CD 3.4Å
634Q91.9Very high93Very high72 Ų7233 Ų3334%0.33618%0.175SC..THydrogen-bonded Turntrans-89.4-39.5-175.3-70.4170.9-53.800112.4G606 L630 S631 R637 Y638G606-Q634 PolarHBondContact O-NE2 2.9Å; L630-Q634 HydrophobicContact CB-CB 4.11Å; L630-Q634 HydrophobicContact CD1-CB 4.43Å; L630-Q634 HydrophobicContact CD2-CB 4.18Å; L630-Q634 HydrophobicContact CG-CB 4.49Å; S631-Q634 PolarHBondContact O-N 3.19Å; S631-Q634 WeakPolarHBondContact OG-CG 3.14Å; S631-Q634 PolarHBondContact OG-N 2.89Å; S631-Q634 PolarHBondContact OG-OE1 3.39Å; Q634-R637 PolarHBondContact O-N 3.46Å; Q634-Y638 PolarHBondContact O-N 3.3Å
635L92.2Very high93.2Very high1 Ų136.4 Ų36.41%0.00519%0.191CC..Hα-helixtrans-59.6-51-173.2178.265000112.8V466 R496 A626 L630 S631 R637 Y638 I639V466-L635 HydrophobicContact CG1-CD2 3.81Å; V466-L635 HydrophobicContact CG1-CG 3.78Å; V466-L635 HydrophobicContact CG2-CD2 4.19Å; R496-L635 HydrophobicContact CG-CD2 4.35Å; A626-L635 HydrophobicContact CB-CD1 3.78Å; L630-L635 HydrophobicContact CB-CB 3.97Å; L630-L635 HydrophobicContact CB-CD1 4.48Å; L630-L635 HydrophobicContact CD1-CD1 4.41Å; S631-L635 WeakPolarHBondContact O-CB 3.01Å; S631-L635 PolarHBondContact O-N 3.19Å; L635-R637 VanDerWaalsContact C-N 3.32Å; L635-R637 PolarHBondContact O-N 3.35Å; L635-Y638 PolarHBondContact O-N 3.44Å; L635-I639 HydrophobicContact CD1-CD1 4.38Å; L635-I639 HydrophobicContact CD1-CG1 3.99Å; L635-I639 HydrophobicContact CG-CG1 4.42Å; L635-I639 VanDerWaalsContact O-CG1 3.29Å; L635-I639 WeakPolarHBondContact O-CG1 3.42Å; L635-I639 PolarHBondContact O-N 3.2Å
636P92.2Very high93.3Very high35 Ų3536.9 Ų36.923%0.22719%0.193CC..Hα-helixtrans-61.1-39.7178.1-21.632.8000112.7V466 D632 Y638 I639 D640V466-P636 HydrophobicContact CG1-CB 4.41Å; V466-P636 HydrophobicContact CG1-CG 4.01Å; D632-P636 WeakPolarHBondContact O-CD 3.46Å; D632-P636 WeakPolarHBondContact O-CG 3.37Å; P636-Y638 PolarHBondContact O-N 3.36Å; P636-I639 PolarHBondContact O-N 2.93Å; P636-D640 WeakPolarHBondContact O-CB 3.41Å; P636-D640 PolarHBondContact O-N 3.24Å
637R93.6Very high93.5Very high188 Ų18838.9 Ų38.971%0.70920%0.202SC*.Hα-helixtrans-63-43178.1-67.5179.9177.3171.80.4111.9A633 Q634 L635 K641A633-R637 WeakPolarHBondContact O-CD 3.4Å; Q634-R637 PolarHBondContact O-N 3.46Å; L635-R637 VanDerWaalsContact C-N 3.32Å; L635-R637 PolarHBondContact O-N 3.35Å; R637-K641 WeakPolarHBondContact O-CB 3.5Å; R637-K641 PolarHBondContact O-N 3.44Å
638Y95.3Very high93.7Very high8 Ų845.9 Ų45.93%0.03124%0.235CC..Hα-helixtrans-63.5-47.6175.5170.2-104.6000111.3L612 Y613 R622 A626 L630 Q634 L635 P636 D640 K641 L642L612-Y638 HydrophobicContact CB-CD2 4.33Å; L612-Y638 HydrophobicContact CB-CE2 3.7Å; L612-Y638 HydrophobicContact CD1-CD2 4.38Å; L612-Y638 HydrophobicContact CD1-CE2 4.47Å; L612-Y638 HydrophobicContact CD2-CE1 4.06Å; L612-Y638 HydrophobicContact CD2-CE2 4.1Å; L612-Y638 HydrophobicContact CG-CE2 4.31Å; L612-Y638 PolarHBondContact O-OH 3.43Å; Y613-Y638 HydrophobicContact CE1-CD2 4.32Å; Y613-Y638 HydrophobicContact CE1-CE2 4.18Å; R622-Y638 WeakPolarHBondContact CB-OH 3.47Å; A626-Y638 HydrophobicContact CB-CD1 3.59Å; A626-Y638 HydrophobicContact CB-CE1 3.52Å; L630-Y638 HydrophobicContact CD1-CD1 4.09Å; L630-Y638 HydrophobicContact CD1-CG 3.95Å; Q634-Y638 PolarHBondContact O-N 3.3Å; L635-Y638 PolarHBondContact O-N 3.44Å; P636-Y638 PolarHBondContact O-N 3.36Å; Y638-D640 PolarHBondContact O-N 3.44Å; Y638-K641 PolarHBondContact O-N 2.91Å; Y638-L642 HydrophobicContact CE1-CD2 4.06Å; Y638-L642 WeakPolarHBondContact O-CB 3.35Å; Y638-L642 PolarHBondContact O-N 3.09Å
639I95.6Very high94Very high2 Ų248.4 Ų48.41%0.0126%0.255CS..Hα-helixtrans-63-41.9179.4-64.9-64.8000111.3I462 K463 V623 L635 P636 T643 L657I462-I639 HydrophobicContact CG2-CD1 4.29Å; K463-I639 HydrophobicContact CB-CG2 3.89Å; K463-I639 HydrophobicContact CG-CG2 4.33Å; V623-I639 HydrophobicContact CG1-CD1 3.99Å; V623-I639 HydrophobicContact CG2-CD1 4.25Å; L635-I639 HydrophobicContact CD1-CD1 4.38Å; L635-I639 HydrophobicContact CD1-CG1 3.99Å; L635-I639 HydrophobicContact CG-CG1 4.42Å; L635-I639 VanDerWaalsContact O-CG1 3.29Å; L635-I639 WeakPolarHBondContact O-CG1 3.42Å; L635-I639 PolarHBondContact O-N 3.2Å; P636-I639 PolarHBondContact O-N 2.93Å; I639-T643 VanDerWaalsContact O-CB 3.26Å; I639-T643 WeakPolarHBondContact O-CB 3.23Å; I639-T643 PolarHBondContact O-N 3.41Å; I639-T643 PolarHBondContact O-OG1 3.37Å; I639-L657 HydrophobicContact CD1-CD2 4.11Å; I639-L657 HydrophobicContact CG2-CD2 4.34Å
640D95.6Very high94.3Very high62 Ų6248.5 Ų48.533%0.33226%0.257SS..Hα-helixtrans-62.8-44.3176.1-79.7-29.5000111.5K463 K467 P636 Y638 T643 A644K463-D640 WeakPolarHBondContact CE-OD1 3.46Å; K463-D640 IonicContact NZ-OD1 3.07Å; K467-D640 IonicContact NZ-OD1 3.27Å; P636-D640 WeakPolarHBondContact O-CB 3.41Å; P636-D640 PolarHBondContact O-N 3.24Å; Y638-D640 PolarHBondContact O-N 3.44Å; D640-T643 PolarHBondContact O-N 3.33Å; D640-A644 PolarHBondContact O-N 3.12Å
641K96.1Very high94.5Very high99 Ų9950.2 Ų50.243%0.4327%0.266SS..Hα-helixtrans-62.9-51176.8-178.5178.2170.4-171.30111.7Y613 R637 Y638 T643 A644 E645Y613-K641 HydrophobicContact CE1-CD 4.03Å; Y613-K641 PolarHBondContact OH-NZ 2.86Å; R637-K641 WeakPolarHBondContact O-CB 3.5Å; R637-K641 PolarHBondContact O-N 3.44Å; Y638-K641 PolarHBondContact O-N 2.91Å; K641-T643 VanDerWaalsContact C-N 3.27Å; K641-T643 PolarHBondContact O-N 3.34Å; K641-A644 WeakPolarHBondContact O-CB 3.21Å; K641-A644 PolarHBondContact O-N 3.4Å; K641-A644 VanDerWaalsContact O-N 3.1Å; K641-E645 WeakPolarHBondContact CE-OE1 3.3Å; K641-E645 PolarHBondContact O-N 2.87Å
642L96.6Very high94.7Very high1 Ų148.8 Ų48.81%0.00526%0.256CS..Hα-helixtrans-60.8-39.6178.2-176.565.4000111V619 V623 Y638 A644 E645 M646 L657V619-L642 HydrophobicContact CG1-CD2 4.17Å; V623-L642 HydrophobicContact CG2-CD2 3.77Å; Y638-L642 HydrophobicContact CE1-CD2 4.06Å; Y638-L642 WeakPolarHBondContact O-CB 3.35Å; Y638-L642 PolarHBondContact O-N 3.09Å; L642-A644 VanDerWaalsContact C-N 3.32Å; L642-A644 PolarHBondContact O-N 2.81Å; L642-E645 PolarHBondContact O-N 3.28Å; L642-M646 HydrophobicContact CD1-CG 4.36Å; L642-M646 HydrophobicContact CG-CG 4.36Å; L642-M646 WeakPolarHBondContact O-CG 3.33Å; L642-M646 PolarHBondContact O-N 3.23Å; L642-L657 HydrophobicContact CB-CD1 4.2Å; L642-L657 HydrophobicContact CD2-CD1 3.73Å; L642-L657 HydrophobicContact CD2-CD2 4.48Å; L642-L657 HydrophobicContact CG-CD1 3.64Å
643T97Very high95Very high1 Ų147.6 Ų47.61%0.00625%0.248CC..Hα-helixtrans-60.2-43.1175.2-57.50000111.3K463 I639 D640 K641 M646 K647 T658K463-T643 HydrophobicContact CD-CG2 3.98Å; I639-T643 VanDerWaalsContact O-CB 3.26Å; I639-T643 WeakPolarHBondContact O-CB 3.23Å; I639-T643 PolarHBondContact O-N 3.41Å; I639-T643 PolarHBondContact O-OG1 3.37Å; D640-T643 PolarHBondContact O-N 3.33Å; K641-T643 VanDerWaalsContact C-N 3.27Å; K641-T643 PolarHBondContact O-N 3.34Å; T643-M646 PolarHBondContact O-N 3.5Å; T643-K647 HydrophobicContact CG2-CD 4.41Å; T643-K647 HydrophobicContact CG2-CG 4.47Å; T643-K647 WeakPolarHBondContact O-CB 3.45Å; T643-K647 VanDerWaalsContact O-CG 3.27Å; T643-K647 WeakPolarHBondContact O-CG 3.25Å; T643-K647 PolarHBondContact O-N 3.26Å; T643-T658 HydrophobicContact CG2-CG2 3.68Å
644A97.3Very high95.3Very high51 Ų5144.6 Ų44.642%0.42122%0.223SC..Hα-helixtrans-63.1-44.8177.200000112D640 K641 L642 M646 K647 E648D640-A644 PolarHBondContact O-N 3.12Å; K641-A644 WeakPolarHBondContact O-CB 3.21Å; K641-A644 PolarHBondContact O-N 3.4Å; K641-A644 VanDerWaalsContact O-N 3.1Å; L642-A644 VanDerWaalsContact C-N 3.32Å; L642-A644 PolarHBondContact O-N 2.81Å; A644-M646 PolarHBondContact O-N 3.44Å; A644-K647 PolarHBondContact O-N 3.35Å; A644-E648 PolarHBondContact O-N 3.43Å
645E96.4Very high95.5Very high72 Ų7241.3 Ų41.334%0.33621%0.208SC..Hα-helixtrans-59.4-45.2176.5-69.8171.5-17300111.8K641 L642 K647 E648 A649K641-E645 WeakPolarHBondContact CE-OE1 3.3Å; K641-E645 PolarHBondContact O-N 2.87Å; L642-E645 PolarHBondContact O-N 3.28Å; E645-K647 PolarHBondContact O-N 3.1Å; E645-E648 PolarHBondContact O-N 2.92Å; E645-A649 VanDerWaalsContact O-CB 3.3Å; E645-A649 WeakPolarHBondContact O-CB 3.19Å; E645-A649 PolarHBondContact O-N 3.44Å
646M96.3Very high95.6Very high10 Ų1041.3 Ų41.35%0.04921%0.208CC..Hα-helixtrans-66-38.9179.1-64.5-56.7-71.300112.1V619 L642 T643 A644 G650 N651 E653 G654 L657 L667V619-M646 HydrophobicContact CG2-CE 3.63Å; V619-M646 HydrophobicContact CG2-SD 3.84Å; L642-M646 HydrophobicContact CD1-CG 4.36Å; L642-M646 HydrophobicContact CG-CG 4.36Å; L642-M646 WeakPolarHBondContact O-CG 3.33Å; L642-M646 PolarHBondContact O-N 3.23Å; T643-M646 PolarHBondContact O-N 3.5Å; A644-M646 PolarHBondContact O-N 3.44Å; M646-G650 PolarHBondContact O-N 2.83Å; M646-N651 HydrophobicContact CE-CB 3.49Å; M646-N651 VanDerWaalsContact CE-CB 3.49Å; M646-N651 WeakPolarHBondContact CE-OD1 3.05Å; M646-N651 PolarHBondContact O-N 2.86Å; M646-N651 VanDerWaalsContact O-N 3.14Å; M646-N651 HydrophobicContact SD-CB 4.31Å; M646-E653 HydrophobicContact CE-CB 3.77Å; M646-G654 VanDerWaalsContact CE-N 3.25Å; M646-L657 HydrophobicContact CG-CD1 4.15Å; M646-L667 WeakPolarHBondContact O-CD1 3.21Å
647K97.2Very high95.8Very high42 Ų4239.7 Ų39.718%0.18320%0.198CC..Hα-helixtrans-62.2-52.4174.6-74.4-168.2-57.81760111.3T643 A644 E645 A649 G650 T658 D663 D666 L667 S670T643-K647 HydrophobicContact CG2-CD 4.41Å; T643-K647 HydrophobicContact CG2-CG 4.47Å; T643-K647 WeakPolarHBondContact O-CB 3.45Å; T643-K647 VanDerWaalsContact O-CG 3.27Å; T643-K647 WeakPolarHBondContact O-CG 3.25Å; T643-K647 PolarHBondContact O-N 3.26Å; A644-K647 PolarHBondContact O-N 3.35Å; E645-K647 PolarHBondContact O-N 3.1Å; K647-A649 VanDerWaalsContact C-N 3.28Å; K647-A649 PolarHBondContact O-N 2.82Å; K647-G650 PolarHBondContact O-N 3.2Å; K647-T658 HydrophobicContact CG-CG2 4.36Å; K647-D663 HydrophobicContact CD-CB 4.46Å; K647-D663 WeakPolarHBondContact CD-O 3.37Å; K647-D663 IonicContact NZ-OD1 3.04Å; K647-D663 PolarHBondContact NZ-OD1 2.85Å; K647-D666 HydrophobicContact CD-CB 3.87Å; K647-D666 IonicContact NZ-OD2 2.72Å; K647-L667 HydrophobicContact CG-CB 4.08Å; K647-L667 HydrophobicContact CG-CD1 4.44Å; K647-S670 WeakPolarHBondContact O-CB 3.47Å; K647-S670 PolarHBondContact O-OG 3.07Å; K647-S670 VanDerWaalsContact O-OG 3.07Å
648E96.6Very high95.8Very high148 Ų14830.8 Ų30.869%0.69216%0.164SC*.Hα-helixtrans-60.1-39.3179.9-173.6178177.900112.2A644 E645 G650 R674A644-E648 PolarHBondContact O-N 3.43Å; E645-E648 PolarHBondContact O-N 2.92Å; E648-G650 VanDerWaalsContact C-N 3.3Å; E648-G650 PolarHBondContact O-N 3.42Å; E648-R674 PolarHBondContact O-NH2 3.3Å
649A95.6Very high95.7Very high53 Ų5330.4 Ų30.444%0.43816%0.163SC..Hα-helixtrans-72.3-19.9176.300000113.8E645 K647 N651 R674E645-A649 VanDerWaalsContact O-CB 3.3Å; E645-A649 WeakPolarHBondContact O-CB 3.19Å; E645-A649 PolarHBondContact O-N 3.44Å; K647-A649 VanDerWaalsContact C-N 3.28Å; K647-A649 PolarHBondContact O-N 2.82Å; A649-N651 VanDerWaalsContact C-N 3.27Å; A649-N651 HydrophobicContact CB-CB 4.28Å; A649-N651 PolarHBondContact O-N 2.86Å; A649-R674 WeakPolarHBondContact O-CD 3.43Å; A649-R674 PolarHBondContact O-NE 2.71Å
650G96.3Very high95.5Very high4 Ų430.4 Ų30.44%0.04116%0.163CC..THydrogen-bonded Turntrans63.630.5-170.600000113.1M646 K647 E648 Y671M646-G650 PolarHBondContact O-N 2.83Å; K647-G650 PolarHBondContact O-N 3.2Å; E648-G650 VanDerWaalsContact C-N 3.3Å; E648-G650 PolarHBondContact O-N 3.42Å; G650-Y671 WeakPolarHBondContact O-CD2 3.1Å
651N95.7Very high95.2Very high43 Ų4328.5 Ų28.523%0.2315%0.153CC..  trans-88120.6-175.9177.9-20.8000111.2Q428 M646 A649 E653 G654 L667Q428-N651 PolarHBondContact OE1-OD1 2.78Å; M646-N651 HydrophobicContact CE-CB 3.49Å; M646-N651 VanDerWaalsContact CE-CB 3.49Å; M646-N651 WeakPolarHBondContact CE-OD1 3.05Å; M646-N651 PolarHBondContact O-N 2.86Å; M646-N651 VanDerWaalsContact O-N 3.14Å; M646-N651 HydrophobicContact SD-CB 4.31Å; A649-N651 VanDerWaalsContact C-N 3.27Å; A649-N651 HydrophobicContact CB-CB 4.28Å; A649-N651 PolarHBondContact O-N 2.86Å; N651-E653 PolarHBondContact O-N 2.89Å; N651-E653 VanDerWaalsContact O-N 3.16Å; N651-E653 PolarHBondContact OD1-N 2.87Å; N651-G654 PolarHBondContact O-N 2.98Å; N651-L667 WeakPolarHBondContact O-CD1 3.38Å
652L96Very high95Very high2 Ų230.3 Ų30.31%0.0116%0.161CC..G310 helixtrans-65.3-19.9-171.6-63.7175.2000114.8Q428 L429 L432 G654 I655 M668 Y671Q428-L652 HydrophobicContact CB-CB 4.26Å; Q428-L652 HydrophobicContact CB-CD1 4.21Å; Q428-L652 VanDerWaalsContact OE1-N 3.11Å; L429-L652 HydrophobicContact CD2-CD1 3.72Å; L432-L652 HydrophobicContact CB-CB 4.21Å; L432-L652 HydrophobicContact CD2-CB 4.47Å; L432-L652 HydrophobicContact CD2-CD1 3.84Å; L432-L652 HydrophobicContact CD2-CD2 4.24Å; L432-L652 HydrophobicContact CD2-CG 4.43Å; L652-G654 PolarHBondContact O-N 2.83Å; L652-G654 VanDerWaalsContact O-N 3.13Å; L652-I655 WeakPolarHBondContact O-CB 3.42Å; L652-I655 VanDerWaalsContact O-CG2 3.31Å; L652-I655 WeakPolarHBondContact O-CG2 3.08Å; L652-I655 PolarHBondContact O-N 3.31Å; L652-M668 HydrophobicContact CD2-CE 4.3Å; L652-M668 HydrophobicContact CD2-SD 4.03Å; L652-Y671 HydrophobicContact CD1-CD2 4.05Å; L652-Y671 HydrophobicContact CD1-CE1 4.31Å; L652-Y671 HydrophobicContact CD1-CE2 3.54Å; L652-Y671 HydrophobicContact CD2-CD1 3.93Å; L652-Y671 HydrophobicContact CD2-CD2 3.75Å; L652-Y671 HydrophobicContact CD2-CE1 4.24Å; L652-Y671 HydrophobicContact CD2-CE2 4.08Å; L652-Y671 HydrophobicContact CD2-CG 3.67Å; L652-Y671 HydrophobicContact CG-CD2 3.72Å; L652-Y671 HydrophobicContact CG-CE2 3.76Å; L652-Y671 HydrophobicContact CG-CG 4.19Å
653E94Very high94.9Very high42 Ų4231.8 Ų31.820%0.19617%0.169CC..G310 helixtrans-59.8-22170.3-65.7-168.3-161.100111.9V619 M646 N651 I655 L656V619-E653 HydrophobicContact CB-CB 4.07Å; V619-E653 VanDerWaalsContact CB-OE2 3.28Å; V619-E653 WeakPolarHBondContact CB-OE2 3.31Å; V619-E653 HydrophobicContact CG2-CB 3.92Å; V619-E653 VanDerWaalsContact CG2-OE2 3.23Å; V619-E653 WeakPolarHBondContact CG2-OE2 3.33Å; V619-E653 PolarHBondContact N-OE2 3.1Å; M646-E653 HydrophobicContact CE-CB 3.77Å; N651-E653 PolarHBondContact O-N 2.89Å; N651-E653 VanDerWaalsContact O-N 3.16Å; N651-E653 PolarHBondContact OD1-N 2.87Å; E653-I655 PolarHBondContact O-N 2.94Å; E653-I655 VanDerWaalsContact O-N 3.13Å; E653-L656 WeakPolarHBondContact O-CB 3.14Å; E653-L656 PolarHBondContact O-N 3.34Å
654G94.9Very high94.8Very high0 Ų031.7 Ų31.70%017%0.169CC..G310 helixtrans-61.2-17.7175.400000113.4M646 N651 L652 L656 L657 T658 L667M646-G654 VanDerWaalsContact CE-N 3.25Å; N651-G654 PolarHBondContact O-N 2.98Å; L652-G654 PolarHBondContact O-N 2.83Å; L652-G654 VanDerWaalsContact O-N 3.13Å; G654-L656 PolarHBondContact O-N 2.89Å; G654-L657 WeakPolarHBondContact O-CA 3.4Å; G654-L657 WeakPolarHBondContact O-CB 3.31Å; G654-L657 PolarHBondContact O-N 2.81Å; G654-T658 PolarHBondContact O-N 3.02Å; G654-T658 PolarHBondContact O-OG1 2.96Å; G654-L667 VanDerWaalsContact C-CD2 3.45Å
655I94.9Very high94.7Very high3 Ų329.3 Ų29.32%0.01515%0.149CC..Hα-helixtrans-58.2-32177.2-158.665.6000111.5L432 D435 L436 M439 L652 E653 L657 T658 G659 L660L432-I655 HydrophobicContact CD1-CB 3.92Å; L432-I655 HydrophobicContact CD1-CG1 3.9Å; L432-I655 HydrophobicContact CD1-CG2 3.75Å; D435-I655 HydrophobicContact CB-CG2 3.76Å; L436-I655 HydrophobicContact CD2-CG1 4.21Å; M439-I655 WeakPolarHBondContact CE-O 3.33Å; L652-I655 WeakPolarHBondContact O-CB 3.42Å; L652-I655 VanDerWaalsContact O-CG2 3.31Å; L652-I655 WeakPolarHBondContact O-CG2 3.08Å; L652-I655 PolarHBondContact O-N 3.31Å; E653-I655 PolarHBondContact O-N 2.94Å; E653-I655 VanDerWaalsContact O-N 3.13Å; I655-L657 PolarHBondContact O-N 2.91Å; I655-T658 PolarHBondContact O-N 2.88Å; I655-G659 WeakPolarHBondContact CD1-O 3.38Å; I655-G659 VanDerWaalsContact O-CA 3.3Å; I655-G659 WeakPolarHBondContact O-CA 3.37Å; I655-G659 PolarHBondContact O-N 2.87Å; I655-L660 HydrophobicContact CD1-CD2 3.9Å; I655-L660 HydrophobicContact CD1-CG 4.48Å
656L94.6Very high94.8Very high2 Ų228.3 Ų28.31%0.0115%0.146CC..Hα-helixtrans-56.8-35.6175-176.863.5000111.9M439 I462 L502 R620 E653 G654M439-L656 VanDerWaalsContact CE-CA 3.49Å; M439-L656 HydrophobicContact CE-CD1 4.37Å; I462-L656 HydrophobicContact CD1-CD1 3.86Å; I462-L656 HydrophobicContact CD1-CD2 4.15Å; I462-L656 HydrophobicContact CD1-CG 3.71Å; I462-L656 HydrophobicContact CG1-CD1 4.46Å; I462-L656 HydrophobicContact CG1-CG 4.45Å; I462-L656 WeakPolarHBondContact CG1-O 3.17Å; I462-L656 PolarHBondContact N-O 2.91Å; L502-L656 HydrophobicContact CB-CD1 4.08Å; R620-L656 HydrophobicContact CB-CD2 3.74Å; E653-L656 WeakPolarHBondContact O-CB 3.14Å; E653-L656 PolarHBondContact O-N 3.34Å; G654-L656 PolarHBondContact O-N 2.89Å
657L95.3Very high94.8Very high0 Ų027.9 Ų27.90%014%0.144CC..Hα-helixtrans-87-46.6-178.1-58.9175000112.1G461 I462 K463 V619 V623 I639 L642 M646 G654 I655G461-L657 CarbonylContact C-O 3.6Å; G461-L657 VanDerWaalsContact C-O 3.31Å; G461-L657 VanDerWaalsContact CA-O 3.31Å; G461-L657 WeakPolarHBondContact CA-O 3.38Å; I462-L657 HydrophobicContact CB-CD2 4.4Å; I462-L657 PolarHBondContact N-O 3.17Å; K463-L657 VanDerWaalsContact CB-O 3.25Å; K463-L657 WeakPolarHBondContact CB-O 3.3Å; K463-L657 PolarHBondContact N-O 3.43Å; K463-L657 VanDerWaalsContact N-O 3.09Å; V619-L657 HydrophobicContact CG1-CD1 4.31Å; V623-L657 HydrophobicContact CG1-CD2 4.42Å; V623-L657 HydrophobicContact CG2-CD2 3.62Å; I639-L657 HydrophobicContact CD1-CD2 4.11Å; I639-L657 HydrophobicContact CG2-CD2 4.34Å; L642-L657 HydrophobicContact CB-CD1 4.2Å; L642-L657 HydrophobicContact CD2-CD1 3.73Å; L642-L657 HydrophobicContact CD2-CD2 4.48Å; L642-L657 HydrophobicContact CG-CD1 3.64Å; M646-L657 HydrophobicContact CG-CD1 4.15Å; G654-L657 WeakPolarHBondContact O-CA 3.4Å; G654-L657 WeakPolarHBondContact O-CB 3.31Å; G654-L657 PolarHBondContact O-N 2.81Å; I655-L657 PolarHBondContact O-N 2.91Å
658T94.6Very high94.8Very high2 Ų226 Ų261%0.01214%0.136CC..Hα-helixtrans-81.6-32.1-173.162.60000112.7T643 K647 G654 I655 T661 D663 G664 L667T643-T658 HydrophobicContact CG2-CG2 3.68Å; K647-T658 HydrophobicContact CG-CG2 4.36Å; G654-T658 PolarHBondContact O-N 3.02Å; G654-T658 PolarHBondContact O-OG1 2.96Å; I655-T658 PolarHBondContact O-N 2.88Å; T658-T661 WeakPolarHBondContact O-CG2 3.4Å; T658-T661 PolarHBondContact O-OG1 2.95Å; T658-D663 HydrophobicContact CG2-CB 3.92Å; T658-G664 WeakPolarHBondContact OG1-CA 3.23Å; T658-L667 HydrophobicContact CG2-CB 4.43Å; T658-L667 HydrophobicContact CG2-CD2 4.37Å
659G92.3Very high94.9Very high0 Ų022.1 Ų22.10%012%0.117CC..BIsolated β-bridgetrans60.9-171.1-163.300000112.1Y459 I655 T661 G664Y459-G659 CarbonylContact O-C 3.46Å; Y459-G659 WeakPolarHBondContact O-CA 3.43Å; I655-G659 WeakPolarHBondContact CD1-O 3.38Å; I655-G659 VanDerWaalsContact O-CA 3.3Å; I655-G659 WeakPolarHBondContact O-CA 3.37Å; I655-G659 PolarHBondContact O-N 2.87Å; G659-T661 PolarHBondContact O-N 3.33Å; G659-G664 WeakPolarHBondContact O-CA 3.41Å
660L91.3Very high95Very high2 Ų221.1 Ų21.11%0.0111%0.107CC..SBendtrans-84.754172.5-65.6173000110.8L436 Y459 I655 C684 M685 G688 P690L436-L660 HydrophobicContact CD2-CD1 3.73Å; L436-L660 HydrophobicContact CD2-CD2 4.31Å; L436-L660 HydrophobicContact CD2-CG 3.93Å; Y459-L660 HydrophobicContact CD1-CD1 4.04Å; Y459-L660 HydrophobicContact CD2-CD1 4.15Å; Y459-L660 HydrophobicContact CG-CD1 3.8Å; Y459-L660 HydrophobicContact CG-CG 4.47Å; Y459-L660 PolarHBondContact O-N 2.66Å; I655-L660 HydrophobicContact CD1-CD2 3.9Å; I655-L660 HydrophobicContact CD1-CG 4.48Å; L660-C684 WeakPolarHBondContact CD1-O 3.49Å; L660-C684 HydrophobicContact CD2-CB 4.28Å; L660-M685 HydrophobicContact CD2-CE 4Å; L660-M685 HydrophobicContact CD2-SD 4.18Å; L660-G688 VanDerWaalsContact CD1-C 3.48Å; L660-G688 VanDerWaalsContact CD1-CA 3.41Å; L660-P690 WeakPolarHBondContact O-CD 3.42Å
661T91.2Very high95.1Very high22 Ų2221.5 Ų21.514%0.13511%0.108CC..SBendtrans-110.7-174-179.273.70000110.8T658 G659 D663 G664 V665T658-T661 WeakPolarHBondContact O-CG2 3.4Å; T658-T661 PolarHBondContact O-OG1 2.95Å; G659-T661 PolarHBondContact O-N 3.33Å; T661-D663 VanDerWaalsContact C-N 3.28Å; T661-D663 PolarHBondContact O-N 3.08Å; T661-D663 PolarHBondContact OG1-N 3.47Å; T661-G664 CarbonylContact O-C 3.44Å; T661-G664 VanDerWaalsContact O-CA 3.3Å; T661-G664 WeakPolarHBondContact O-CA 3Å; T661-G664 PolarHBondContact O-N 3.22Å; T661-V665 PolarHBondContact O-N 3.05Å
662K91.6Very high95.2Very high137 Ų13720.1 Ų20.160%0.59610%0.101SC*.Hα-helixtrans-56.5-40.1174.3-66.3-174.2179.4-178.70113G664 V665 D666 V693K662-G664 PolarHBondContact O-N 3.26Å; K662-V665 WeakPolarHBondContact O-CB 3.42Å; K662-V665 PolarHBondContact O-N 3.38Å; K662-V665 VanDerWaalsContact O-N 3.12Å; K662-D666 PolarHBondContact O-N 2.95Å; K662-D666 VanDerWaalsContact O-N 3.14Å; K662-V693 HydrophobicContact CG-CG2 4.45Å
663D93.7Very high95.2Very high31 Ų3126 Ų2617%0.16613%0.132CC..Hα-helixtrans-62.4-30.7173-84.2-48000111.7K463 K647 T658 T661 D666 L667K463-D663 WeakPolarHBondContact CE-OD2 3.47Å; K463-D663 IonicContact NZ-OD1 2.94Å; K463-D663 PolarHBondContact NZ-OD1 3.43Å; K463-D663 IonicContact NZ-OD2 3.73Å; K463-D663 PolarHBondContact NZ-OD2 3.02Å; K647-D663 HydrophobicContact CD-CB 4.46Å; K647-D663 WeakPolarHBondContact CD-O 3.37Å; K647-D663 IonicContact NZ-OD1 3.04Å; K647-D663 PolarHBondContact NZ-OD1 2.85Å; T658-D663 HydrophobicContact CG2-CB 3.92Å; T661-D663 VanDerWaalsContact C-N 3.28Å; T661-D663 PolarHBondContact O-N 3.08Å; T661-D663 PolarHBondContact OG1-N 3.47Å; D663-D666 PolarHBondContact O-N 3.32Å; D663-L667 PolarHBondContact O-N 3.08Å
664G94.7Very high95.2Very high0 Ų031.9 Ų31.90%015%0.152CC..Hα-helixtrans-73.1-30.9175.500000112.9T658 G659 T661 K662 M668 M685T658-G664 WeakPolarHBondContact OG1-CA 3.23Å; G659-G664 WeakPolarHBondContact O-CA 3.41Å; T661-G664 CarbonylContact O-C 3.44Å; T661-G664 VanDerWaalsContact O-CA 3.3Å; T661-G664 WeakPolarHBondContact O-CA 3Å; T661-G664 PolarHBondContact O-N 3.22Å; K662-G664 PolarHBondContact O-N 3.26Å; G664-M668 WeakPolarHBondContact O-CB 3.5Å; G664-M668 PolarHBondContact O-N 3.36Å; G664-M685 WeakPolarHBondContact O-CE 3.46Å
665V96.2Very high95.2Very high0 Ų034.4 Ų34.40%017%0.168CC..Hα-helixtrans-65.2-45.6170.2-174.40000109.9T661 K662 L667 M668 E669 M685 V693 R698 V699 W702T661-V665 PolarHBondContact O-N 3.05Å; K662-V665 WeakPolarHBondContact O-CB 3.42Å; K662-V665 PolarHBondContact O-N 3.38Å; K662-V665 VanDerWaalsContact O-N 3.12Å; V665-L667 VanDerWaalsContact C-N 3.31Å; V665-L667 PolarHBondContact O-N 3.05Å; V665-M668 PolarHBondContact O-N 3.03Å; V665-M668 VanDerWaalsContact O-N 3.15Å; V665-E669 WeakPolarHBondContact O-CB 2.94Å; V665-E669 PolarHBondContact O-N 3.35Å; V665-M685 HydrophobicContact CG2-SD 4.24Å; V665-V693 HydrophobicContact CG2-CG1 3.51Å; V665-R698 HydrophobicContact CG1-CB 4.36Å; V665-R698 VanDerWaalsContact CG1-CZ 3.47Å; V665-R698 VanDerWaalsContact CG1-NH2 3.34Å; V665-V699 HydrophobicContact CG1-CG2 3.95Å; V665-V699 HydrophobicContact CG2-CG2 3.97Å; V665-W702 HydrophobicContact CG1-CH2 3.71Å; V665-W702 HydrophobicContact CG1-CZ3 4.2Å
666D97.3Very high95.2Very high51 Ų5135.7 Ų35.727%0.27318%0.182SC..Hα-helixtrans-61.8-39.1178.1-60.8-17000112.2K647 K662 D663 S670 R698K647-D666 HydrophobicContact CD-CB 3.87Å; K647-D666 IonicContact NZ-OD2 2.72Å; K662-D666 PolarHBondContact O-N 2.95Å; K662-D666 VanDerWaalsContact O-N 3.14Å; D663-D666 PolarHBondContact O-N 3.32Å; D666-S670 PolarHBondContact O-N 3.1Å; D666-S670 PolarHBondContact O-OG 3.16Å; D666-R698 IonicContact OD1-CZ 2.72Å; D666-R698 IonicContact OD1-NH1 4Å; D666-R698 PolarHBondContact OD1-NH1 2.77Å; D666-R698 IonicContact OD1-NH2 3.51Å; D666-R698 PolarHBondContact OD1-NH2 2.61Å
667L97.6Very high95.2Very high2 Ų235.6 Ų35.61%0.0118%0.182CC..Hα-helixtrans-60.4-48.5172.5177.464.1000111.3M646 K647 N651 G654 T658 D663 V665 E669 S670 Y671M646-L667 WeakPolarHBondContact O-CD1 3.21Å; K647-L667 HydrophobicContact CG-CB 4.08Å; K647-L667 HydrophobicContact CG-CD1 4.44Å; N651-L667 WeakPolarHBondContact O-CD1 3.38Å; G654-L667 VanDerWaalsContact C-CD2 3.45Å; T658-L667 HydrophobicContact CG2-CB 4.43Å; T658-L667 HydrophobicContact CG2-CD2 4.37Å; D663-L667 PolarHBondContact O-N 3.08Å; V665-L667 VanDerWaalsContact C-N 3.31Å; V665-L667 PolarHBondContact O-N 3.05Å; L667-E669 VanDerWaalsContact C-N 3.35Å; L667-S670 PolarHBondContact O-N 3.22Å; L667-Y671 PolarHBondContact O-N 2.86Å
668M97.1Very high95.3Very high3 Ų336.4 Ų36.42%0.01519%0.186CC..Hα-helixtrans-71-31-176.1-164.866.980.200112L652 G664 V665 Y671 V672 A681 C684 M685 W702L652-M668 HydrophobicContact CD2-CE 4.3Å; L652-M668 HydrophobicContact CD2-SD 4.03Å; G664-M668 WeakPolarHBondContact O-CB 3.5Å; G664-M668 PolarHBondContact O-N 3.36Å; V665-M668 PolarHBondContact O-N 3.03Å; V665-M668 VanDerWaalsContact O-N 3.15Å; M668-Y671 PolarHBondContact O-N 2.87Å; M668-Y671 HydrophobicContact SD-CD1 3.68Å; M668-Y671 HydrophobicContact SD-CE1 4.35Å; M668-Y671 HydrophobicContact SD-CG 4.39Å; M668-V672 HydrophobicContact CG-CG2 4.45Å; M668-V672 WeakPolarHBondContact O-CB 3.29Å; M668-V672 VanDerWaalsContact O-CG2 3.26Å; M668-V672 WeakPolarHBondContact O-CG2 3.08Å; M668-V672 PolarHBondContact O-N 3.19Å; M668-A681 HydrophobicContact CG-CB 3.37Å; M668-A681 HydrophobicContact SD-CB 3.75Å; M668-C684 HydrophobicContact CE-CB 3.79Å; M668-M685 HydrophobicContact CB-CE 3.63Å; M668-M685 HydrophobicContact CE-CE 3.97Å; M668-M685 HydrophobicContact CG-CE 3.97Å; M668-W702 HydrophobicContact CB-CH2 3.8Å; M668-W702 HydrophobicContact CB-CZ3 3.9Å; M668-W702 HydrophobicContact CG-CE3 4.36Å; M668-W702 HydrophobicContact CG-CH2 4.04Å; M668-W702 HydrophobicContact CG-CZ3 3.79Å
669E97.6Very high95.4Very high65 Ų6536.3 Ų36.330%0.30419%0.186SC..Hα-helixtrans-60-52170.6-179.4171.5-140.600110.6V665 L667 Y671 V672 D673 R698 W702V665-E669 WeakPolarHBondContact O-CB 2.94Å; V665-E669 PolarHBondContact O-N 3.35Å; L667-E669 VanDerWaalsContact C-N 3.35Å; E669-Y671 PolarHBondContact O-N 3.44Å; E669-V672 PolarHBondContact O-N 2.74Å; E669-V672 VanDerWaalsContact O-N 3.12Å; E669-D673 WeakPolarHBondContact O-CB 3.27Å; E669-D673 VanDerWaalsContact O-CG 3.28Å; E669-D673 PolarHBondContact O-N 2.99Å; E669-R698 VanDerWaalsContact CD-CD 3.45Å; E669-R698 WeakPolarHBondContact OE1-CD 3.49Å; E669-R698 WeakPolarHBondContact OE2-CD 3.49Å; E669-R698 IonicContact OE2-CZ 2.82Å; E669-R698 IonicContact OE2-NE 3.43Å; E669-R698 IonicContact OE2-NH1 2.71Å; E669-R698 PolarHBondContact OE2-NH1 3.47Å; E669-W702 HydrophobicContact CB-CH2 4.32Å; E669-W702 HydrophobicContact CB-CZ2 3.89Å
670S98.1Very high95.6Very high32 Ų3236.3 Ų36.322%0.22419%0.186CC..Hα-helixtrans-62.1-33.1177.9-59.10000112.5K647 D666 L667 R674K647-S670 WeakPolarHBondContact O-CB 3.47Å; K647-S670 PolarHBondContact O-OG 3.07Å; K647-S670 VanDerWaalsContact O-OG 3.07Å; D666-S670 PolarHBondContact O-N 3.1Å; D666-S670 PolarHBondContact O-OG 3.16Å; L667-S670 PolarHBondContact O-N 3.22Å; S670-R674 WeakPolarHBondContact O-CD 3.12Å; S670-R674 WeakPolarHBondContact O-CG 3.32Å; S670-R674 PolarHBondContact O-N 2.89Å
671Y97.8Very high95.8Very high13 Ų1336.2 Ų36.25%0.05119%0.185CC..Hα-helixtrans-67.2-47.9172.3171.7-103.5000112.1G650 L652 L667 M668 E669 R674 T675 D677 T680G650-Y671 WeakPolarHBondContact O-CD2 3.1Å; L652-Y671 HydrophobicContact CD1-CD2 4.05Å; L652-Y671 HydrophobicContact CD1-CE1 4.31Å; L652-Y671 HydrophobicContact CD1-CE2 3.54Å; L652-Y671 HydrophobicContact CD2-CD1 3.93Å; L652-Y671 HydrophobicContact CD2-CD2 3.75Å; L652-Y671 HydrophobicContact CD2-CE1 4.24Å; L652-Y671 HydrophobicContact CD2-CE2 4.08Å; L652-Y671 HydrophobicContact CD2-CG 3.67Å; L652-Y671 HydrophobicContact CG-CD2 3.72Å; L652-Y671 HydrophobicContact CG-CE2 3.76Å; L652-Y671 HydrophobicContact CG-CG 4.19Å; L667-Y671 PolarHBondContact O-N 2.86Å; M668-Y671 PolarHBondContact O-N 2.87Å; M668-Y671 HydrophobicContact SD-CD1 3.68Å; M668-Y671 HydrophobicContact SD-CE1 4.35Å; M668-Y671 HydrophobicContact SD-CG 4.39Å; E669-Y671 PolarHBondContact O-N 3.44Å; Y671-R674 PolarHBondContact O-N 3.2Å; Y671-T675 HydrophobicContact CD2-CG2 3.95Å; Y671-T675 HydrophobicContact CE2-CG2 3.71Å; Y671-T675 WeakPolarHBondContact O-CB 3.49Å; Y671-T675 WeakPolarHBondContact O-CG2 3.46Å; Y671-T675 PolarHBondContact O-N 3.02Å; Y671-T675 PolarHBondContact O-OG1 3.46Å; Y671-D677 HydrophobicContact CE1-CB 3.64Å; Y671-D677 PolarHBondContact OH-OD2 2.96Å; Y671-T680 HydrophobicContact CE1-CG2 4.47Å
672V97.7Very high96Very high14 Ų1435.1 Ų35.19%0.08518%0.179CC..Hα-helixtrans-65.5-40.6179.6170.20000111.1M668 E669 R674 T675 G676 V678 A681M668-V672 HydrophobicContact CG-CG2 4.45Å; M668-V672 WeakPolarHBondContact O-CB 3.29Å; M668-V672 VanDerWaalsContact O-CG2 3.26Å; M668-V672 WeakPolarHBondContact O-CG2 3.08Å; M668-V672 PolarHBondContact O-N 3.19Å; E669-V672 PolarHBondContact O-N 2.74Å; E669-V672 VanDerWaalsContact O-N 3.12Å; V672-R674 PolarHBondContact O-N 3.31Å; V672-T675 PolarHBondContact O-N 3.14Å; V672-G676 VanDerWaalsContact O-CA 3.31Å; V672-G676 WeakPolarHBondContact O-CA 3.42Å; V672-G676 PolarHBondContact O-N 3.44Å; V672-V678 HydrophobicContact CG1-CG1 3.85Å; V672-A681 HydrophobicContact CG2-CB 3.56Å
673D96.5Very high96Very high124 Ų12428.6 Ų28.666%0.66315%0.15SC*.Hα-helixtrans-64-29179.1-72.3-12000112.5E669E669-D673 WeakPolarHBondContact O-CB 3.27Å; E669-D673 VanDerWaalsContact O-CG 3.28Å; E669-D673 PolarHBondContact O-N 2.99Å
674R95.4Very high95.9Very high167 Ų16727.2 Ų27.263%0.6314%0.143SC*.Hα-helixtrans-87.1-34.6177.7-69.1172.8-175.5-78.32.6113.3E648 A649 S670 Y671 V672E648-R674 PolarHBondContact O-NH2 3.3Å; A649-R674 WeakPolarHBondContact O-CD 3.43Å; A649-R674 PolarHBondContact O-NE 2.71Å; S670-R674 WeakPolarHBondContact O-CD 3.12Å; S670-R674 WeakPolarHBondContact O-CG 3.32Å; S670-R674 PolarHBondContact O-N 2.89Å; Y671-R674 PolarHBondContact O-N 3.2Å; V672-R674 PolarHBondContact O-N 3.31Å
675T94.1Very high95.7Very high52 Ų5227.2 Ų27.232%0.31914%0.143SC..Hα-helixtrans-112.3-24.7-168.564.40000114.6I396 Y671 V672 D677I396-T675 WeakPolarHBondContact CB-O 3.43Å; I396-T675 WeakPolarHBondContact CG1-O 3.42Å; I396-T675 VanDerWaalsContact CG2-O 3.28Å; I396-T675 WeakPolarHBondContact CG2-O 3.33Å; Y671-T675 HydrophobicContact CD2-CG2 3.95Å; Y671-T675 HydrophobicContact CE2-CG2 3.71Å; Y671-T675 WeakPolarHBondContact O-CB 3.49Å; Y671-T675 WeakPolarHBondContact O-CG2 3.46Å; Y671-T675 PolarHBondContact O-N 3.02Å; Y671-T675 PolarHBondContact O-OG1 3.46Å; V672-T675 PolarHBondContact O-N 3.14Å; T675-D677 PolarHBondContact O-N 3.24Å; T675-D677 PolarHBondContact OG1-N 2.81Å
676G94.4Very high95.3Very high31 Ų3127.4 Ų27.432%0.3214%0.144SC..  trans72.94.8-169.500000115.1V672 V678V672-G676 VanDerWaalsContact O-CA 3.31Å; V672-G676 WeakPolarHBondContact O-CA 3.42Å; V672-G676 PolarHBondContact O-N 3.44Å; G676-V678 VanDerWaalsContact C-N 3.27Å; G676-V678 PolarHBondContact O-N 3.32Å
677D95.8Very high94.4Very high0 Ų026.4 Ų26.40%014%0.137CC..  trans-77.970.8-175-172.4-1.2000112.9I396 R403 Y671 T675 Q679 T680 A681I396-D677 HydrophobicContact CD1-CB 3.78Å; I396-D677 HydrophobicContact CG1-CB 3.94Å; R403-D677 IonicContact NH1-OD1 3.66Å; R403-D677 IonicContact NH1-OD2 3.91Å; R403-D677 PolarHBondContact NH1-OD2 3.19Å; Y671-D677 HydrophobicContact CE1-CB 3.64Å; Y671-D677 PolarHBondContact OH-OD2 2.96Å; T675-D677 PolarHBondContact O-N 3.24Å; T675-D677 PolarHBondContact OG1-N 2.81Å; D677-Q679 PolarHBondContact O-N 3.38Å; D677-Q679 PolarHBondContact OD1-N 3.41Å; D677-T680 VanDerWaalsContact CG-OG1 3.28Å; D677-T680 PolarHBondContact OD1-N 2.77Å; D677-T680 PolarHBondContact OD1-OG1 2.98Å; D677-T680 VanDerWaalsContact OD2-CB 3.3Å; D677-T680 WeakPolarHBondContact OD2-CB 3.2Å; D677-T680 PolarHBondContact OD2-OG1 2.98Å; D677-A681 PolarHBondContact O-N 3.18Å
678V96.8Very high93Very high16 Ų1626.8 Ų26.810%0.09714%0.142CC..Hα-helixtrans-66.6-21.7175.7-65.10000112.7M400 V672 G676 S682 W702 L709M400-V678 HydrophobicContact CE-CG2 4.33Å; M400-V678 HydrophobicContact SD-CG2 3.92Å; V672-V678 HydrophobicContact CG1-CG1 3.85Å; G676-V678 VanDerWaalsContact C-N 3.27Å; G676-V678 PolarHBondContact O-N 3.32Å; V678-S682 WeakPolarHBondContact O-CB 3.41Å; V678-S682 PolarHBondContact O-N 3.34Å; V678-S682 PolarHBondContact O-OG 2.8Å; V678-W702 HydrophobicContact CB-CB 4.49Å; V678-L709 HydrophobicContact CG2-CD1 3.8Å
679Q96.3Very high92Very high0 Ų027.3 Ų27.30%015%0.146CC..Hα-helixtrans-66.7-53.8178.3176.4-177.95700111.1M400 R403 Y408 D677 A681 S682 F683 Y706M400-Q679 HydrophobicContact CB-CB 4.34Å; M400-Q679 HydrophobicContact CG-CB 3.76Å; M400-Q679 PolarHBondContact O-NE2 2.78Å; M400-Q679 PolarHBondContact O-OE1 3.46Å; M400-Q679 HydrophobicContact SD-CB 3.63Å; R403-Q679 VanDerWaalsContact CD-OE1 3.29Å; Y408-Q679 HydrophobicContact CD1-CG 3.94Å; Y408-Q679 HydrophobicContact CE1-CG 4.13Å; D677-Q679 PolarHBondContact O-N 3.38Å; D677-Q679 PolarHBondContact OD1-N 3.41Å; Q679-A681 VanDerWaalsContact C-N 3.35Å; Q679-A681 PolarHBondContact O-N 3.49Å; Q679-S682 PolarHBondContact O-N 2.78Å; Q679-F683 HydrophobicContact CG-CD2 3.95Å; Q679-F683 HydrophobicContact CG-CE2 3.93Å; Q679-F683 VanDerWaalsContact O-CD2 3.31Å; Q679-F683 WeakPolarHBondContact O-CD2 3.23Å; Q679-F683 PolarHBondContact O-N 2.91Å; Q679-Y706 HydrophobicContact CB-CD2 3.76Å; Q679-Y706 HydrophobicContact CB-CE2 3.63Å; Q679-Y706 HydrophobicContact CB-CG 4.43Å; Q679-Y706 HydrophobicContact CG-CD2 4.13Å; Q679-Y706 HydrophobicContact CG-CE1 4.27Å; Q679-Y706 HydrophobicContact CG-CE2 3.52Å; Q679-Y706 PolarHBondContact NE2-OH 2.97Å
680T95.8Very high91.1Very high0 Ų025.9 Ų25.90%014%0.142CC..Hα-helixtrans-59.8-47.5178.3-650000110.6Y408 L429 L432 Y671 D677 S682 F683 C684Y408-T680 WeakPolarHBondContact CE1-OG1 3.42Å; Y408-T680 WeakPolarHBondContact OH-CG2 3.33Å; Y408-T680 PolarHBondContact OH-OG1 2.88Å; L429-T680 HydrophobicContact CD2-CG2 3.71Å; L432-T680 HydrophobicContact CD2-CG2 3.61Å; Y671-T680 HydrophobicContact CE1-CG2 4.47Å; D677-T680 VanDerWaalsContact CG-OG1 3.28Å; D677-T680 PolarHBondContact OD1-N 2.77Å; D677-T680 PolarHBondContact OD1-OG1 2.98Å; D677-T680 VanDerWaalsContact OD2-CB 3.3Å; D677-T680 WeakPolarHBondContact OD2-CB 3.2Å; D677-T680 PolarHBondContact OD2-OG1 2.98Å; T680-S682 VanDerWaalsContact C-N 3.33Å; T680-S682 PolarHBondContact O-N 2.54Å; T680-F683 PolarHBondContact O-N 3.2Å; T680-C684 WeakPolarHBondContact O-CB 3.44Å; T680-C684 PolarHBondContact O-N 2.78Å; T680-C684 PolarHBondContact O-SG 2.97Å; T680-C684 VanDerWaalsContact O-SG 3.35Å
681A95.9Very high90.2Very high0 Ų026.6 Ų26.60%015%0.154CC..Hα-helixtrans-54.9-47.8176.800000112.2M668 V672 D677 Q679 M685 W702M668-A681 HydrophobicContact CG-CB 3.37Å; M668-A681 HydrophobicContact SD-CB 3.75Å; V672-A681 HydrophobicContact CG2-CB 3.56Å; D677-A681 PolarHBondContact O-N 3.18Å; Q679-A681 VanDerWaalsContact C-N 3.35Å; Q679-A681 PolarHBondContact O-N 3.49Å; A681-M685 WeakPolarHBondContact O-CB 2.8Å; A681-M685 VanDerWaalsContact O-CG 3.23Å; A681-M685 WeakPolarHBondContact O-CG 3.49Å; A681-M685 PolarHBondContact O-N 3.48Å; A681-W702 HydrophobicContact CB-CD2 4.07Å; A681-W702 HydrophobicContact CB-CE3 3.81Å; A681-W702 HydrophobicContact CB-CG 4.38Å; A681-W702 HydrophobicContact CB-CZ3 4.4Å
682S95.2Very high89.5Confident0 Ų030.6 Ų30.60%018%0.176CC..Hα-helixtrans-60.8-47.8179.5-65.10000112.5V678 Q679 T680 L686 W702 I703V678-S682 WeakPolarHBondContact O-CB 3.41Å; V678-S682 PolarHBondContact O-N 3.34Å; V678-S682 PolarHBondContact O-OG 2.8Å; Q679-S682 PolarHBondContact O-N 2.78Å; T680-S682 VanDerWaalsContact C-N 3.33Å; T680-S682 PolarHBondContact O-N 2.54Å; S682-L686 WeakPolarHBondContact O-CB 3.46Å; S682-L686 PolarHBondContact O-N 2.95Å; S682-W702 PolarHBondContact OG-O 3.13Å; S682-W702 VanDerWaalsContact OG-O 3.13Å; S682-I703 WeakPolarHBondContact OG-CA 3.39Å; S682-I703 PolarHBondContact OG-N 3.22Å
683F93.1Very high89Confident0 Ų030.1 Ų30.10%017%0.173CC..Hα-helixtrans-69.2-41.3-178.7-82-69.9000113Y408 G409 H410 W433 Q679 T680 K687 Y706 F722 L725Y408-F683 VanDerWaalsContact O-CE2 3.28Å; Y408-F683 WeakPolarHBondContact O-CE2 3.16Å; Y408-F683 WeakPolarHBondContact O-CZ 3.24Å; G409-F683 VanDerWaalsContact C-CD1 3.48Å; G409-F683 VanDerWaalsContact C-CE1 3.45Å; G409-F683 WeakPolarHBondContact O-CD1 3.42Å; G409-F683 VanDerWaalsContact O-CE1 3.31Å; G409-F683 WeakPolarHBondContact O-CE1 3.27Å; H410-F683 AromaticContact CD2-CZ 3.73Å; H410-F683 AromaticContact NE2-CZ 3.55Å; W433-F683 HydrophobicContact CH2-CB 4.21Å; Q679-F683 HydrophobicContact CG-CD2 3.95Å; Q679-F683 HydrophobicContact CG-CE2 3.93Å; Q679-F683 VanDerWaalsContact O-CD2 3.31Å; Q679-F683 WeakPolarHBondContact O-CD2 3.23Å; Q679-F683 PolarHBondContact O-N 2.91Å; T680-F683 PolarHBondContact O-N 3.2Å; F683-K687 WeakPolarHBondContact O-CB 3.36Å; F683-K687 VanDerWaalsContact O-CG 3.32Å; F683-K687 WeakPolarHBondContact O-CG 3.21Å; F683-K687 PolarHBondContact O-N 2.92Å; F683-K687 VanDerWaalsContact O-N 3.1Å; F683-Y706 HydrophobicContact CD2-CE1 4.42Å; F683-Y706 AromaticContact CE2-CE1 3.66Å; F683-Y706 HydrophobicContact CE2-CE1 3.66Å; F683-Y706 AromaticContact CE2-CZ 3.94Å; F683-Y706 HydrophobicContact CZ-CE1 4.08Å; F683-F722 HydrophobicContact CD1-CD2 4.19Å; F683-F722 HydrophobicContact CD1-CE2 4.07Å; F683-F722 AromaticContact CE1-CD2 3.56Å; F683-F722 HydrophobicContact CE1-CD2 3.56Å; F683-F722 AromaticContact CE1-CE2 3.91Å; F683-F722 HydrophobicContact CE1-CE2 3.91Å; F683-F722 HydrophobicContact CE2-CD2 4.38Å; F683-F722 HydrophobicContact CG-CE2 4.47Å; F683-F722 AromaticContact CZ-CD2 3.66Å; F683-F722 HydrophobicContact CZ-CD2 3.66Å; F683-F722 HydrophobicContact CZ-CE2 4.13Å; F683-L725 HydrophobicContact CD1-CD2 4.06Å; F683-L725 HydrophobicContact CE1-CD2 4Å
684C91.1Very high88.5Confident1 Ų125.1 Ų25.11%0.00715%0.147CC..Hα-helixtrans-62.8-50.3177.6-71.30000110.9L436 L660 M668 T680 L686 K687L436-C684 HydrophobicContact CD1-CB 4.48Å; L660-C684 WeakPolarHBondContact CD1-O 3.49Å; L660-C684 HydrophobicContact CD2-CB 4.28Å; M668-C684 HydrophobicContact CE-CB 3.79Å; T680-C684 WeakPolarHBondContact O-CB 3.44Å; T680-C684 PolarHBondContact O-N 2.78Å; T680-C684 PolarHBondContact O-SG 2.97Å; T680-C684 VanDerWaalsContact O-SG 3.35Å; C684-L686 VanDerWaalsContact C-N 3.33Å; C684-L686 PolarHBondContact O-N 3.14Å; C684-K687 PolarHBondContact O-N 2.88Å
685M90.4Very high88.2Confident0 Ų025.2 Ų25.20%015%0.151CC..Hα-helixtrans-64.5-41.5-179.1-66.3-60.8149.300111.1L660 G664 V665 M668 A681 K687 S689 V693 L694 V699 W702L660-M685 HydrophobicContact CD2-CE 4Å; L660-M685 HydrophobicContact CD2-SD 4.18Å; G664-M685 WeakPolarHBondContact O-CE 3.46Å; V665-M685 HydrophobicContact CG2-SD 4.24Å; M668-M685 HydrophobicContact CB-CE 3.63Å; M668-M685 HydrophobicContact CE-CE 3.97Å; M668-M685 HydrophobicContact CG-CE 3.97Å; A681-M685 WeakPolarHBondContact O-CB 2.8Å; A681-M685 VanDerWaalsContact O-CG 3.23Å; A681-M685 WeakPolarHBondContact O-CG 3.49Å; A681-M685 PolarHBondContact O-N 3.48Å; M685-K687 PolarHBondContact O-N 2.91Å; M685-S689 VanDerWaalsContact CA-OG 3.3Å; M685-S689 WeakPolarHBondContact CA-OG 3.42Å; M685-S689 WeakPolarHBondContact O-CB 3.45Å; M685-S689 PolarHBondContact O-N 2.9Å; M685-S689 PolarHBondContact O-OG 2.91Å; M685-V693 HydrophobicContact SD-CG1 4.44Å; M685-L694 WeakPolarHBondContact O-CD2 3.36Å; M685-V699 HydrophobicContact CB-CG1 3.64Å; M685-V699 HydrophobicContact CB-CG2 4.35Å; M685-V699 HydrophobicContact CG-CG1 4.21Å; M685-V699 HydrophobicContact CG-CG2 4.07Å; M685-V699 HydrophobicContact SD-CG2 4.4Å; M685-W702 HydrophobicContact CG-CE3 4.23Å; M685-W702 HydrophobicContact CG-CZ3 3.93Å
686L86.6Confident88.1Confident5 Ų524 Ų243%0.02614%0.143CC..Hα-helixtrans-63-43.1-179.5-172.962000112.8S682 C684 L694 F722 L725 R726 L729S682-L686 WeakPolarHBondContact O-CB 3.46Å; S682-L686 PolarHBondContact O-N 2.95Å; C684-L686 VanDerWaalsContact C-N 3.33Å; C684-L686 PolarHBondContact O-N 3.14Å; L686-L694 HydrophobicContact CD1-CD2 4.37Å; L686-F722 HydrophobicContact CD2-CE2 3.97Å; L686-F722 HydrophobicContact CD2-CZ 4.2Å; L686-L725 HydrophobicContact CD2-CB 4.5Å; L686-L725 HydrophobicContact CD2-CD2 4.07Å; L686-L725 HydrophobicContact CD2-CG 4Å; L686-R726 HydrophobicContact CD1-CB 4.23Å; L686-R726 HydrophobicContact CD1-CG 3.99Å; L686-R726 HydrophobicContact CD2-CB 4.01Å; L686-L729 HydrophobicContact CD1-CD1 4.43Å; L686-L729 HydrophobicContact CG-CD1 4.11Å; L686-L729 WeakPolarHBondContact O-CD1 3.29Å
687K78.6Confident88.1Confident30 Ų3027.6 Ų27.613%0.1316%0.161CC..Hα-helixtrans-72.6-29.6-170.2-80.7-177.2-178.6178.60115.6G409 D411 N418 W433 F683 C684 M685G409-K687 WeakPolarHBondContact O-CE 3.21Å; G409-K687 PolarHBondContact O-NZ 3.21Å; D411-K687 PolarHBondContact O-NZ 2.87Å; N418-K687 PolarHBondContact ND2-NZ 3.11Å; N418-K687 VanDerWaalsContact ND2-NZ 3.2Å; W433-K687 HydrophobicContact CH2-CD 4.5Å; W433-K687 HydrophobicContact CZ3-CD 4.21Å; F683-K687 WeakPolarHBondContact O-CB 3.36Å; F683-K687 VanDerWaalsContact O-CG 3.32Å; F683-K687 WeakPolarHBondContact O-CG 3.21Å; F683-K687 PolarHBondContact O-N 2.92Å; F683-K687 VanDerWaalsContact O-N 3.1Å; C684-K687 PolarHBondContact O-N 2.88Å; M685-K687 PolarHBondContact O-N 2.91Å
688G69.3Low88.1Confident10 Ų1030.5 Ų30.510%0.10317%0.172CC..Hα-helixtrans-142.2-0.5-16500000115.8Y459 L660Y459-G688 VanDerWaalsContact CD2-O 3.25Å; Y459-G688 WeakPolarHBondContact CD2-O 3.49Å; L660-G688 VanDerWaalsContact CD1-C 3.48Å; L660-G688 VanDerWaalsContact CD1-CA 3.41Å
689S76.1Confident88Confident14 Ų1429.8 Ų29.810%0.09817%0.167CC..  trans-79.4142.1179.3-51.50000111.5M685M685-S689 VanDerWaalsContact CA-OG 3.3Å; M685-S689 WeakPolarHBondContact CA-OG 3.42Å; M685-S689 WeakPolarHBondContact O-CB 3.45Å; M685-S689 PolarHBondContact O-N 2.9Å; M685-S689 PolarHBondContact O-OG 2.91Å
690P79.2Confident87.9Confident35 Ų3532.5 Ų32.523%0.22718%0.18CC..  trans-52.9154.5165.7-29.539.1000112.8V457 L660 D692 V693 L694V457-P690 HydrophobicContact CG1-CG 3.6Å; L660-P690 WeakPolarHBondContact O-CD 3.42Å; P690-D692 WeakPolarHBondContact CB-OD1 3.49Å; P690-D692 PolarHBondContact O-N 3.28Å; P690-D692 VanDerWaalsContact O-N 3.13Å; P690-V693 HydrophobicContact CB-CG2 4.46Å; P690-V693 PolarHBondContact O-N 2.9Å; P690-L694 PolarHBondContact O-N 3.29Å
691G78.4Confident87.9Confident46 Ų4635.6 Ų35.647%0.47420%0.201SC..Hα-helixtrans-61.9-22.3-175.400000115K695G691-K695 WeakPolarHBondContact O-CD 3.48Å; G691-K695 VanDerWaalsContact O-CG 3.31Å; G691-K695 WeakPolarHBondContact O-CG 3.48Å
692D82.5Confident88Confident98 Ų9836.4 Ų36.452%0.52420%0.204SC..Hα-helixtrans-76.1-38.9172.460.2-50.5000112.4P690 K695P690-D692 WeakPolarHBondContact CB-OD1 3.49Å; P690-D692 PolarHBondContact O-N 3.28Å; P690-D692 VanDerWaalsContact O-N 3.13Å; D692-K695 PolarHBondContact O-N 2.86Å
693V87.5Confident87.9Confident4 Ų436.4 Ų36.42%0.02420%0.204CC..Hα-helixtrans-67.1-39.7174.6173.80000110.9K662 V665 M685 P690 K695 D696K662-V693 HydrophobicContact CG-CG2 4.45Å; V665-V693 HydrophobicContact CG2-CG1 3.51Å; M685-V693 HydrophobicContact SD-CG1 4.44Å; P690-V693 HydrophobicContact CB-CG2 4.46Å; P690-V693 PolarHBondContact O-N 2.9Å; V693-K695 PolarHBondContact O-N 3.29Å; V693-D696 WeakPolarHBondContact O-CB 3.48Å; V693-D696 PolarHBondContact O-N 3.02Å
694L86.5Confident88Confident19 Ų1939.7 Ų39.710%0.09922%0.219CC..Hα-helixtrans-59.6-27.9173.9-72.5177.3000112.7M685 L686 P690 D696 Q700M685-L694 WeakPolarHBondContact O-CD2 3.36Å; L686-L694 HydrophobicContact CD1-CD2 4.37Å; P690-L694 PolarHBondContact O-N 3.29Å; L694-D696 VanDerWaalsContact C-N 3.3Å; L694-Q700 PolarHBondContact O-NE2 3.13Å
695K87.8Confident88.2Confident168 Ų16843 Ų4373%0.7324%0.237SC*.THydrogen-bonded Turntrans-83.7-2.4177.9-69.5171.9-174.6-179.50113.4G691 D692 V693G691-K695 WeakPolarHBondContact O-CD 3.48Å; G691-K695 VanDerWaalsContact O-CG 3.31Å; G691-K695 WeakPolarHBondContact O-CG 3.48Å; D692-K695 PolarHBondContact O-N 2.86Å; V693-K695 PolarHBondContact O-N 3.29Å
696D92.8Very high88.5Confident28 Ų2843.1 Ų43.115%0.1524%0.237CC..  trans-59.4130.6175.5-171.1-59000109.8V693 L694 R698 V699 Q700V693-D696 WeakPolarHBondContact O-CB 3.48Å; V693-D696 PolarHBondContact O-N 3.02Å; L694-D696 VanDerWaalsContact C-N 3.3Å; D696-R698 PolarHBondContact O-N 3.13Å; D696-R698 VanDerWaalsContact OD1-CB 3.31Å; D696-R698 WeakPolarHBondContact OD1-CB 3.45Å; D696-R698 PolarHBondContact OD1-N 2.9Å; D696-R698 IonicContact OD1-NE 3.94Å; D696-R698 PolarHBondContact OD1-NE 2.64Å; D696-R698 IonicContact OD1-NH2 3.77Å; D696-R698 IonicContact OD2-CZ 3.07Å; D696-R698 IonicContact OD2-NE 2.76Å; D696-R698 IonicContact OD2-NH2 3.58Å; D696-R698 PolarHBondContact OD2-NH2 3.1Å; D696-V699 HydrophobicContact CB-CB 4.32Å; D696-V699 HydrophobicContact CB-CG2 3.99Å; D696-V699 PolarHBondContact O-N 3.07Å; D696-Q700 PolarHBondContact O-N 3.46Å
697P95.1Very high88.9Confident105 Ų10544.9 Ų44.968%0.68224%0.244SC*.Hα-helixtrans-55.8-35-179.5-26.534.6000113.9Q700 C701P697-Q700 PolarHBondContact O-N 3.13Å; P697-C701 WeakPolarHBondContact O-CB 3.44Å; P697-C701 PolarHBondContact O-N 3.4Å
698R96Very high89.6Confident62 Ų6247.3 Ų47.323%0.23426%0.258CS..Hα-helixtrans-66.4-45.4179.2-63.2171.8-70.4176.71.2110.6V665 D666 E669 D696 Q700 C701 W702V665-R698 HydrophobicContact CG1-CB 4.36Å; V665-R698 VanDerWaalsContact CG1-CZ 3.47Å; V665-R698 VanDerWaalsContact CG1-NH2 3.34Å; D666-R698 IonicContact OD1-CZ 2.72Å; D666-R698 IonicContact OD1-NH1 4Å; D666-R698 PolarHBondContact OD1-NH1 2.77Å; D666-R698 IonicContact OD1-NH2 3.51Å; D666-R698 PolarHBondContact OD1-NH2 2.61Å; E669-R698 VanDerWaalsContact CD-CD 3.45Å; E669-R698 WeakPolarHBondContact OE1-CD 3.49Å; E669-R698 WeakPolarHBondContact OE2-CD 3.49Å; E669-R698 IonicContact OE2-CZ 2.82Å; E669-R698 IonicContact OE2-NE 3.43Å; E669-R698 IonicContact OE2-NH1 2.71Å; E669-R698 PolarHBondContact OE2-NH1 3.47Å; D696-R698 PolarHBondContact O-N 3.13Å; D696-R698 VanDerWaalsContact OD1-CB 3.31Å; D696-R698 WeakPolarHBondContact OD1-CB 3.45Å; D696-R698 PolarHBondContact OD1-N 2.9Å; D696-R698 IonicContact OD1-NE 3.94Å; D696-R698 PolarHBondContact OD1-NE 2.64Å; D696-R698 IonicContact OD1-NH2 3.77Å; D696-R698 IonicContact OD2-CZ 3.07Å; D696-R698 IonicContact OD2-NE 2.76Å; D696-R698 IonicContact OD2-NH2 3.58Å; D696-R698 PolarHBondContact OD2-NH2 3.1Å; R698-Q700 PolarHBondContact O-N 3.45Å; R698-C701 VanDerWaalsContact O-CB 3.28Å; R698-C701 WeakPolarHBondContact O-CB 3.46Å; R698-C701 PolarHBondContact O-N 3.21Å; R698-C701 VanDerWaalsContact O-N 3.14Å; R698-W702 HydrophobicContact CB-CH2 4.38Å; R698-W702 HydrophobicContact CB-CZ2 3.96Å; R698-W702 VanDerWaalsContact O-CG 3.3Å; R698-W702 PolarHBondContact O-N 3.3Å
699V94.8Very high90.7Very high0 Ų049.2 Ų49.20%027%0.266CS..Hα-helixtrans-61.8-44.3177.1177.20000111V665 M685 D696 C701 W702 I703V665-V699 HydrophobicContact CG1-CG2 3.95Å; V665-V699 HydrophobicContact CG2-CG2 3.97Å; M685-V699 HydrophobicContact CB-CG1 3.64Å; M685-V699 HydrophobicContact CB-CG2 4.35Å; M685-V699 HydrophobicContact CG-CG1 4.21Å; M685-V699 HydrophobicContact CG-CG2 4.07Å; M685-V699 HydrophobicContact SD-CG2 4.4Å; D696-V699 HydrophobicContact CB-CB 4.32Å; D696-V699 HydrophobicContact CB-CG2 3.99Å; D696-V699 PolarHBondContact O-N 3.07Å; V699-C701 VanDerWaalsContact C-N 3.3Å; V699-C701 PolarHBondContact O-N 3.48Å; V699-W702 HydrophobicContact CB-CE3 4.4Å; V699-W702 HydrophobicContact CG2-CE3 4.14Å; V699-W702 HydrophobicContact CG2-CZ3 3.82Å; V699-W702 PolarHBondContact O-N 2.92Å; V699-I703 HydrophobicContact CG1-CD1 3.9Å; V699-I703 VanDerWaalsContact O-CG1 3.3Å; V699-I703 WeakPolarHBondContact O-CG1 3.21Å; V699-I703 PolarHBondContact O-N 3.34Å
700Q93.2Very high91.6Very high58 Ų5848.6 Ų48.627%0.27126%0.261SS..Hα-helixtrans-62.7-37.7175.5-69.4-59.9-52.500112.2L694 D696 P697 R698 I703 E704L694-Q700 PolarHBondContact O-NE2 3.13Å; D696-Q700 PolarHBondContact O-N 3.46Å; P697-Q700 PolarHBondContact O-N 3.13Å; R698-Q700 PolarHBondContact O-N 3.45Å; Q700-I703 PolarHBondContact O-N 3.2Å; Q700-E704 PolarHBondContact O-N 2.83Å
701C96.4Very high92.1Very high65 Ų6549.3 Ų49.344%0.43926%0.263SS..Hα-helixtrans-62-47.3175-171.10000111.7P697 R698 V699 I703 E704 N705P697-C701 WeakPolarHBondContact O-CB 3.44Å; P697-C701 PolarHBondContact O-N 3.4Å; R698-C701 VanDerWaalsContact O-CB 3.28Å; R698-C701 WeakPolarHBondContact O-CB 3.46Å; R698-C701 PolarHBondContact O-N 3.21Å; R698-C701 VanDerWaalsContact O-N 3.14Å; V699-C701 VanDerWaalsContact C-N 3.3Å; V699-C701 PolarHBondContact O-N 3.48Å; C701-I703 VanDerWaalsContact C-N 3.35Å; C701-I703 PolarHBondContact O-N 2.95Å; C701-E704 PolarHBondContact O-N 2.84Å; C701-N705 WeakPolarHBondContact O-CB 3.23Å; C701-N705 PolarHBondContact O-N 3.45Å; C701-N705 PolarHBondContact O-ND2 3.26Å; C701-N705 PolarHBondContact SG-ND2 2.94Å
702W97.1Very high92.7Very high16 Ų1649.4 Ų49.46%0.06126%0.26CS..Hα-helixtrans-60.3-45.2176.8-54.8-30.8000111.9V665 M668 E669 V678 A681 S682 M685 R698 V699 E704 N705 Y706V665-W702 HydrophobicContact CG1-CH2 3.71Å; V665-W702 HydrophobicContact CG1-CZ3 4.2Å; M668-W702 HydrophobicContact CB-CH2 3.8Å; M668-W702 HydrophobicContact CB-CZ3 3.9Å; M668-W702 HydrophobicContact CG-CE3 4.36Å; M668-W702 HydrophobicContact CG-CH2 4.04Å; M668-W702 HydrophobicContact CG-CZ3 3.79Å; E669-W702 HydrophobicContact CB-CH2 4.32Å; E669-W702 HydrophobicContact CB-CZ2 3.89Å; V678-W702 HydrophobicContact CB-CB 4.49Å; A681-W702 HydrophobicContact CB-CD2 4.07Å; A681-W702 HydrophobicContact CB-CE3 3.81Å; A681-W702 HydrophobicContact CB-CG 4.38Å; A681-W702 HydrophobicContact CB-CZ3 4.4Å; S682-W702 PolarHBondContact OG-O 3.13Å; S682-W702 VanDerWaalsContact OG-O 3.13Å; M685-W702 HydrophobicContact CG-CE3 4.23Å; M685-W702 HydrophobicContact CG-CZ3 3.93Å; R698-W702 HydrophobicContact CB-CH2 4.38Å; R698-W702 HydrophobicContact CB-CZ2 3.96Å; R698-W702 VanDerWaalsContact O-CG 3.3Å; R698-W702 PolarHBondContact O-N 3.3Å; V699-W702 HydrophobicContact CB-CE3 4.4Å; V699-W702 HydrophobicContact CG2-CE3 4.14Å; V699-W702 HydrophobicContact CG2-CZ3 3.82Å; V699-W702 PolarHBondContact O-N 2.92Å; W702-E704 PolarHBondContact O-N 3.03Å; W702-N705 PolarHBondContact O-N 3.48Å; W702-Y706 WeakPolarHBondContact O-CB 3.18Å; W702-Y706 PolarHBondContact O-N 3.43Å
703I94.1Very high92.9Very high1 Ų145.6 Ų45.61%0.00524%0.238CC..Hα-helixtrans-60.1-47178.4-71.1170.7000110.7S682 V699 Q700 C701 R707 F722S682-I703 WeakPolarHBondContact OG-CA 3.39Å; S682-I703 PolarHBondContact OG-N 3.22Å; V699-I703 HydrophobicContact CG1-CD1 3.9Å; V699-I703 VanDerWaalsContact O-CG1 3.3Å; V699-I703 WeakPolarHBondContact O-CG1 3.21Å; V699-I703 PolarHBondContact O-N 3.34Å; Q700-I703 PolarHBondContact O-N 3.2Å; C701-I703 VanDerWaalsContact C-N 3.35Å; C701-I703 PolarHBondContact O-N 2.95Å; I703-R707 WeakPolarHBondContact O-CB 3.21Å; I703-R707 WeakPolarHBondContact O-CG 3.38Å; I703-R707 PolarHBondContact O-N 2.99Å; I703-F722 HydrophobicContact CG2-CE1 4.01Å; I703-F722 HydrophobicContact CG2-CZ 4.25Å
704E94.8Very high93.1Very high68 Ų6854.7 Ų54.732%0.31827%0.272SS..Hα-helixtrans-71.3-36.3-178.9-158.661-140.700112.2Q700 C701 W702 R707 N708 R726Q700-E704 PolarHBondContact O-N 2.83Å; C701-E704 PolarHBondContact O-N 2.84Å; W702-E704 PolarHBondContact O-N 3.03Å; E704-R707 WeakPolarHBondContact O-CB 3.32Å; E704-R707 PolarHBondContact O-N 3.15Å; E704-R707 IonicContact OE1-CZ 3.93Å; E704-R707 IonicContact OE1-NE 3.29Å; E704-R707 PolarHBondContact OE1-NE 3.4Å; E704-R707 VanDerWaalsContact OE1-NE 3.07Å; E704-R707 IonicContact OE1-NH2 3.07Å; E704-R707 PolarHBondContact OE1-NH2 3.29Å; E704-R707 IonicContact OE2-CZ 3.99Å; E704-R707 IonicContact OE2-NE 3.13Å; E704-R707 PolarHBondContact OE2-NE 3.11Å; E704-R707 IonicContact OE2-NH2 3.73Å; E704-R707 PolarHBondContact OE2-NH2 3.4Å; E704-N708 VanDerWaalsContact O-CG 3.25Å; E704-N708 PolarHBondContact O-N 2.95Å; E704-N708 PolarHBondContact O-ND2 3.04Å; E704-R726 IonicContact OE2-NH1 3.81Å
705N95.9Very high93.3Very high72 Ų7255.3 Ų55.339%0.38527%0.274SS..Hα-helixtrans-63.8-43.6174.1-78.2-49.1000111.9C701 W702 R707 N708 L709C701-N705 WeakPolarHBondContact O-CB 3.23Å; C701-N705 PolarHBondContact O-N 3.45Å; C701-N705 PolarHBondContact O-ND2 3.26Å; C701-N705 PolarHBondContact SG-ND2 2.94Å; W702-N705 PolarHBondContact O-N 3.48Å; N705-R707 VanDerWaalsContact C-N 3.29Å; N705-R707 PolarHBondContact O-N 3.06Å; N705-N708 PolarHBondContact O-N 3.15Å; N705-L709 WeakPolarHBondContact O-CG 3.17Å; N705-L709 PolarHBondContact O-N 2.97Å
706Y95.9Very high93.4Very high1 Ų154.1 Ų54.10%0.00427%0.265CS..Hα-helixtrans-63.3-37.5175.3-178.7-124.4000112Q679 F683 W702 L709 L710 F722Q679-Y706 HydrophobicContact CB-CD2 3.76Å; Q679-Y706 HydrophobicContact CB-CE2 3.63Å; Q679-Y706 HydrophobicContact CB-CG 4.43Å; Q679-Y706 HydrophobicContact CG-CD2 4.13Å; Q679-Y706 HydrophobicContact CG-CE1 4.27Å; Q679-Y706 HydrophobicContact CG-CE2 3.52Å; Q679-Y706 PolarHBondContact NE2-OH 2.97Å; F683-Y706 HydrophobicContact CD2-CE1 4.42Å; F683-Y706 AromaticContact CE2-CE1 3.66Å; F683-Y706 HydrophobicContact CE2-CE1 3.66Å; F683-Y706 AromaticContact CE2-CZ 3.94Å; F683-Y706 HydrophobicContact CZ-CE1 4.08Å; W702-Y706 WeakPolarHBondContact O-CB 3.18Å; W702-Y706 PolarHBondContact O-N 3.43Å; Y706-L709 PolarHBondContact O-N 3.49Å; Y706-L710 HydrophobicContact CD1-CD1 4.22Å; Y706-L710 HydrophobicContact CD2-CG 4.49Å; Y706-L710 HydrophobicContact CE1-CD1 3.74Å; Y706-L710 HydrophobicContact CE1-CG 4.37Å; Y706-L710 HydrophobicContact CE2-CD1 4.32Å; Y706-L710 HydrophobicContact CE2-CD2 4.11Å; Y706-L710 HydrophobicContact CE2-CG 4.05Å; Y706-L710 WeakPolarHBondContact O-CG 3.23Å; Y706-L710 PolarHBondContact O-N 2.94Å; Y706-F722 HydrophobicContact CD1-CD1 4.42Å; Y706-F722 HydrophobicContact CD1-CD2 4.26Å; Y706-F722 HydrophobicContact CD1-CE1 4.15Å; Y706-F722 AromaticContact CD1-CE2 4Å; Y706-F722 HydrophobicContact CD1-CE2 4Å; Y706-F722 HydrophobicContact CD1-CG 4.46Å; Y706-F722 AromaticContact CD1-CZ 3.94Å; Y706-F722 HydrophobicContact CD1-CZ 3.94Å; Y706-F722 AromaticContact CE1-CD2 3.97Å; Y706-F722 HydrophobicContact CE1-CD2 3.97Å; Y706-F722 HydrophobicContact CE1-CE2 4.08Å; Y706-F722 HydrophobicContact CE1-CG 4.26Å; Y706-F722 HydrophobicContact CE1-CZ 4.46Å
707R94.3Very high93.3Very high42 Ų4260.3 Ų60.316%0.15829%0.293CS..Hα-helixtrans-60.1-49.1172.6-74.1171.236.5139.4-12.1111.9I703 E704 N705 L709 L710 D711 R719 F722 D723I703-R707 WeakPolarHBondContact O-CB 3.21Å; I703-R707 WeakPolarHBondContact O-CG 3.38Å; I703-R707 PolarHBondContact O-N 2.99Å; E704-R707 WeakPolarHBondContact O-CB 3.32Å; E704-R707 PolarHBondContact O-N 3.15Å; E704-R707 IonicContact OE1-CZ 3.93Å; E704-R707 IonicContact OE1-NE 3.29Å; E704-R707 PolarHBondContact OE1-NE 3.4Å; E704-R707 VanDerWaalsContact OE1-NE 3.07Å; E704-R707 IonicContact OE1-NH2 3.07Å; E704-R707 PolarHBondContact OE1-NH2 3.29Å; E704-R707 IonicContact OE2-CZ 3.99Å; E704-R707 IonicContact OE2-NE 3.13Å; E704-R707 PolarHBondContact OE2-NE 3.11Å; E704-R707 IonicContact OE2-NH2 3.73Å; E704-R707 PolarHBondContact OE2-NH2 3.4Å; N705-R707 VanDerWaalsContact C-N 3.29Å; N705-R707 PolarHBondContact O-N 3.06Å; R707-L709 VanDerWaalsContact C-N 3.3Å; R707-L709 PolarHBondContact O-N 3.37Å; R707-L710 PolarHBondContact O-N 2.99Å; R707-D711 PolarHBondContact O-N 2.83Å; R707-R719 VanDerWaalsContact CB-NE 3.34Å; R707-R719 WeakPolarHBondContact O-CD 3.45Å; R707-F722 HydrophobicContact CG-CD1 3.94Å; R707-F722 HydrophobicContact CG-CE1 3.82Å; R707-D723 IonicContact CZ-OD1 2.78Å; R707-D723 IonicContact NH1-OD1 2.91Å; R707-D723 PolarHBondContact NH1-OD1 3.01Å; R707-D723 IonicContact NH1-OD2 3.36Å
708N94.2Very high93.1Very high82 Ų8257.1 Ų57.144%0.43927%0.268SS..Hα-helixtrans-61.6-37.1177.5-69.4-27000112.2E704 N705 D711 A712E704-N708 VanDerWaalsContact O-CG 3.25Å; E704-N708 PolarHBondContact O-N 2.95Å; E704-N708 PolarHBondContact O-ND2 3.04Å; N705-N708 PolarHBondContact O-N 3.15Å; N708-D711 PolarHBondContact O-N 3.26Å; N708-A712 WeakPolarHBondContact O-CB 3.49Å; N708-A712 PolarHBondContact O-N 3.37Å
709L93Very high93Very high50 Ų5055.2 Ų55.226%0.26226%0.261SS..Hα-helixtrans-63.5-46.2174.6-74.7173.1000111.8M400 V678 N705 Y706 R707 D711 A712 W713M400-L709 HydrophobicContact CE-CD1 3.93Å; V678-L709 HydrophobicContact CG2-CD1 3.8Å; N705-L709 WeakPolarHBondContact O-CG 3.17Å; N705-L709 PolarHBondContact O-N 2.97Å; Y706-L709 PolarHBondContact O-N 3.49Å; R707-L709 VanDerWaalsContact C-N 3.3Å; R707-L709 PolarHBondContact O-N 3.37Å; L709-D711 VanDerWaalsContact C-N 3.26Å; L709-D711 PolarHBondContact O-N 3Å; L709-A712 PolarHBondContact O-N 2.91Å; L709-W713 HydrophobicContact CB-CE3 4.37Å; L709-W713 HydrophobicContact CB-CH2 4.02Å; L709-W713 HydrophobicContact CB-CZ2 4.25Å; L709-W713 HydrophobicContact CB-CZ3 4.09Å; L709-W713 HydrophobicContact CD1-CH2 4.27Å; L709-W713 HydrophobicContact CD2-CZ2 4.1Å; L709-W713 WeakPolarHBondContact O-CB 3.29Å; L709-W713 VanDerWaalsContact O-CD2 3.3Å; L709-W713 VanDerWaalsContact O-CG 3.28Å; L709-W713 PolarHBondContact O-N 2.91Å
710L93.4Very high92.7Very high0 Ų057.4 Ų57.40%028%0.279CS..Hα-helixtrans-59.8-38.7175.9-68.5173.2000111.6A404 Y706 R707 W713 R714 F715 K718 R719A404-L710 HydrophobicContact CB-CD2 3.98Å; Y706-L710 HydrophobicContact CD1-CD1 4.22Å; Y706-L710 HydrophobicContact CD2-CG 4.49Å; Y706-L710 HydrophobicContact CE1-CD1 3.74Å; Y706-L710 HydrophobicContact CE1-CG 4.37Å; Y706-L710 HydrophobicContact CE2-CD1 4.32Å; Y706-L710 HydrophobicContact CE2-CD2 4.11Å; Y706-L710 HydrophobicContact CE2-CG 4.05Å; Y706-L710 WeakPolarHBondContact O-CG 3.23Å; Y706-L710 PolarHBondContact O-N 2.94Å; R707-L710 PolarHBondContact O-N 2.99Å; L710-W713 HydrophobicContact CD2-CE3 4.32Å; L710-W713 PolarHBondContact O-N 2.71Å; L710-R714 PolarHBondContact O-N 3.43Å; L710-R714 VanDerWaalsContact O-N 3.15Å; L710-F715 HydrophobicContact CB-CB 4.48Å; L710-F715 HydrophobicContact CD2-CB 4.1Å; L710-F715 HydrophobicContact CD2-CD2 4.2Å; L710-F715 PolarHBondContact O-N 2.84Å; L710-K718 HydrophobicContact CD2-CB 4.28Å; L710-R719 HydrophobicContact CB-CB 4.03Å; L710-R719 HydrophobicContact CD1-CB 4.26Å
711D91Very high92.6Very high51 Ų5157.2 Ų57.227%0.27328%0.278SS..Hα-helixtrans-68.7-42.5176.2-69.8-24.2000111.8R707 N708 L709 W713 R714 W716 R719R707-D711 PolarHBondContact O-N 2.83Å; N708-D711 PolarHBondContact O-N 3.26Å; L709-D711 VanDerWaalsContact C-N 3.26Å; L709-D711 PolarHBondContact O-N 3Å; D711-W713 VanDerWaalsContact C-N 3.29Å; D711-W713 PolarHBondContact O-N 3.18Å; D711-R714 WeakPolarHBondContact O-CA 3.06Å; D711-R714 PolarHBondContact O-N 3.45Å; D711-W716 HydrophobicContact CB-CE3 4.39Å; D711-W716 HydrophobicContact CB-CH2 4.21Å; D711-W716 HydrophobicContact CB-CZ3 3.57Å; D711-W716 VanDerWaalsContact O-CH2 3.23Å; D711-W716 WeakPolarHBondContact O-CH2 3.5Å; D711-W716 VanDerWaalsContact OD1-CE3 3.3Å; D711-W716 VanDerWaalsContact OD1-CZ3 3.23Å; D711-W716 WeakPolarHBondContact OD1-CZ3 3.32Å; D711-R719 WeakPolarHBondContact OD1-CD 3.23Å; D711-R719 VanDerWaalsContact OD1-CG 3.31Å; D711-R719 WeakPolarHBondContact OD1-CG 3.4Å; D711-R719 IonicContact OD1-NE 3.3Å; D711-R719 IonicContact OD2-NE 3.41Å
712A89.6Confident92.3Very high48 Ų4854.1 Ų54.140%0.39726%0.257SS..Hα-helixtrans-63.4-32.9175.700000112.9S365 N708 L709 R714S365-A712 WeakPolarHBondContact CB-O 3.12Å; S365-A712 PolarHBondContact OG-O 2.93Å; S365-A712 VanDerWaalsContact OG-O 3.05Å; N708-A712 WeakPolarHBondContact O-CB 3.49Å; N708-A712 PolarHBondContact O-N 3.37Å; L709-A712 PolarHBondContact O-N 2.91Å; A712-R714 VanDerWaalsContact C-N 3.27Å
713W88.4Confident91.9Very high18 Ų1854.7 Ų54.77%0.06826%0.261CS..THydrogen-bonded Turntrans-83.1-0.4172-60.7-30.8000113.8S365 A397 M400 R401 L709 L710 D711 F715S365-W713 PolarHBondContact O-NE1 3.48Å; A397-W713 HydrophobicContact CB-CZ2 4.24Å; A397-W713 WeakPolarHBondContact O-CZ2 3.23Å; M400-W713 HydrophobicContact CB-CH2 3.81Å; M400-W713 HydrophobicContact CB-CZ3 4.4Å; R401-W713 HydrophobicContact CB-CD2 4.16Å; R401-W713 HydrophobicContact CB-CE3 4.08Å; R401-W713 HydrophobicContact CB-CH2 4.05Å; R401-W713 HydrophobicContact CB-CZ2 4.12Å; R401-W713 HydrophobicContact CB-CZ3 4.03Å; R401-W713 HydrophobicContact CG-CD2 4.01Å; R401-W713 HydrophobicContact CG-CE3 4.11Å; R401-W713 HydrophobicContact CG-CG 4.33Å; L709-W713 HydrophobicContact CB-CE3 4.37Å; L709-W713 HydrophobicContact CB-CH2 4.02Å; L709-W713 HydrophobicContact CB-CZ2 4.25Å; L709-W713 HydrophobicContact CB-CZ3 4.09Å; L709-W713 HydrophobicContact CD1-CH2 4.27Å; L709-W713 HydrophobicContact CD2-CZ2 4.1Å; L709-W713 WeakPolarHBondContact O-CB 3.29Å; L709-W713 VanDerWaalsContact O-CD2 3.3Å; L709-W713 VanDerWaalsContact O-CG 3.28Å; L709-W713 PolarHBondContact O-N 2.91Å; L710-W713 HydrophobicContact CD2-CE3 4.32Å; L710-W713 PolarHBondContact O-N 2.71Å; D711-W713 VanDerWaalsContact C-N 3.29Å; D711-W713 PolarHBondContact O-N 3.18Å; W713-F715 HydrophobicContact CB-CD1 4.31Å; W713-F715 HydrophobicContact CB-CD2 4.4Å; W713-F715 HydrophobicContact CB-CG 4.22Å; W713-F715 HydrophobicContact CE3-CD2 4.48Å; W713-F715 VanDerWaalsContact O-CD1 3.32Å; W713-F715 WeakPolarHBondContact O-CD1 3.48Å; W713-F715 PolarHBondContact O-N 2.98Å
714R90.4Very high91.6Very high194 Ų19459.7 Ų59.773%0.73229%0.287SS*.THydrogen-bonded Turntrans6028.3-177.4-52179.3177.6178.6-0.6113.5L710 D711 A712 W716L710-R714 PolarHBondContact O-N 3.43Å; L710-R714 VanDerWaalsContact O-N 3.15Å; D711-R714 WeakPolarHBondContact O-CA 3.06Å; D711-R714 PolarHBondContact O-N 3.45Å; A712-R714 VanDerWaalsContact C-N 3.27Å; R714-W716 HydrophobicContact CB-CZ2 3.96Å; R714-W716 HydrophobicContact CG-CZ2 3.95Å; R714-W716 VanDerWaalsContact O-CD1 3.32Å; R714-W716 PolarHBondContact O-N 2.81Å; R714-W716 VanDerWaalsContact O-N 3.09Å; R714-W716 PolarHBondContact O-NE1 3.05Å
715F92.1Very high91.1Very high33 Ų3357.4 Ų57.415%0.14528%0.277CS..  trans-86.354.7177.6-74.12.3000111.5R401 A404 Q405 L710 W713 H717 K718 R719R401-F715 HydrophobicContact CG-CE2 3.78Å; R401-F715 HydrophobicContact CG-CZ 3.92Å; A404-F715 HydrophobicContact CB-CD2 4.16Å; A404-F715 HydrophobicContact CB-CE2 4.31Å; Q405-F715 HydrophobicContact CG-CE2 3.64Å; Q405-F715 HydrophobicContact CG-CZ 3.62Å; L710-F715 HydrophobicContact CB-CB 4.48Å; L710-F715 HydrophobicContact CD2-CB 4.1Å; L710-F715 HydrophobicContact CD2-CD2 4.2Å; L710-F715 PolarHBondContact O-N 2.84Å; W713-F715 HydrophobicContact CB-CD1 4.31Å; W713-F715 HydrophobicContact CB-CD2 4.4Å; W713-F715 HydrophobicContact CB-CG 4.22Å; W713-F715 HydrophobicContact CE3-CD2 4.48Å; W713-F715 VanDerWaalsContact O-CD1 3.32Å; W713-F715 WeakPolarHBondContact O-CD1 3.48Å; W713-F715 PolarHBondContact O-N 2.98Å; F715-H717 VanDerWaalsContact C-N 3.26Å; F715-H717 PolarHBondContact O-N 2.77Å; F715-K718 HydrophobicContact CB-CB 4.11Å; F715-K718 HydrophobicContact CB-CG 4.14Å; F715-K718 HydrophobicContact CD2-CG 4.39Å; F715-K718 HydrophobicContact CG-CG 4.47Å; F715-K718 PolarHBondContact O-N 3.14Å; F715-K718 VanDerWaalsContact O-N 3.1Å; F715-R719 VanDerWaalsContact O-CB 3.31Å; F715-R719 WeakPolarHBondContact O-CB 3.37Å; F715-R719 PolarHBondContact O-N 3.27Å
716W89.6Confident90.6Very high143 Ų14355.1 Ų55.154%0.54226%0.263SS..Hα-helixtrans-56.8-36.6-174.7-44.3116.9000113.4D711 R714 R719 A720D711-W716 HydrophobicContact CB-CE3 4.39Å; D711-W716 HydrophobicContact CB-CH2 4.21Å; D711-W716 HydrophobicContact CB-CZ3 3.57Å; D711-W716 VanDerWaalsContact O-CH2 3.23Å; D711-W716 WeakPolarHBondContact O-CH2 3.5Å; D711-W716 VanDerWaalsContact OD1-CE3 3.3Å; D711-W716 VanDerWaalsContact OD1-CZ3 3.23Å; D711-W716 WeakPolarHBondContact OD1-CZ3 3.32Å; R714-W716 HydrophobicContact CB-CZ2 3.96Å; R714-W716 HydrophobicContact CG-CZ2 3.95Å; R714-W716 VanDerWaalsContact O-CD1 3.32Å; R714-W716 PolarHBondContact O-N 2.81Å; R714-W716 VanDerWaalsContact O-N 3.09Å; R714-W716 PolarHBondContact O-NE1 3.05Å; W716-R719 WeakPolarHBondContact O-CB 3.12Å; W716-A720 WeakPolarHBondContact O-CB 3.19Å; W716-A720 PolarHBondContact O-N 3.38Å
717H90.1Very high89.9Confident158 Ų15855.4 Ų55.473%0.73127%0.266SS*.Hα-helixtrans-69.3-44.8177.3-64.5-65.4000112.2F715 R719 A720 E721F715-H717 VanDerWaalsContact C-N 3.26Å; F715-H717 PolarHBondContact O-N 2.77Å; H717-R719 VanDerWaalsContact C-N 3.31Å; H717-R719 PolarHBondContact O-N 2.93Å; H717-A720 PolarHBondContact O-N 2.86Å; H717-E721 WeakPolarHBondContact O-CG 3.06Å; H717-E721 PolarHBondContact O-N 2.85Å
718K91.8Very high89.1Confident38 Ų3860.7 Ų60.717%0.16529%0.29CS..Hα-helixtrans-64.6-40.5176.7-55.1-62.6-175.2163.40110.8A404 Q405 L710 F715 A720 E721 F722A404-K718 WeakPolarHBondContact O-CE 3.09Å; A404-K718 PolarHBondContact O-NZ 3.4Å; Q405-K718 PolarHBondContact O-NZ 2.7Å; L710-K718 HydrophobicContact CD2-CB 4.28Å; F715-K718 HydrophobicContact CB-CB 4.11Å; F715-K718 HydrophobicContact CB-CG 4.14Å; F715-K718 HydrophobicContact CD2-CG 4.39Å; F715-K718 HydrophobicContact CG-CG 4.47Å; F715-K718 PolarHBondContact O-N 3.14Å; F715-K718 VanDerWaalsContact O-N 3.1Å; K718-A720 VanDerWaalsContact C-N 3.35Å; K718-A720 PolarHBondContact O-N 2.76Å; K718-E721 PolarHBondContact O-N 2.88Å; K718-F722 WeakPolarHBondContact O-CB 3.4Å; K718-F722 PolarHBondContact O-N 2.84Å
719R92.6Very high88Confident22 Ų2260.8 Ų60.88%0.08329%0.29CS..Hα-helixtrans-55.7-47.4172.2177.575.3-167.370.520.2111.7R707 L710 D711 F715 W716 H717 F722 D723R707-R719 VanDerWaalsContact CB-NE 3.34Å; R707-R719 WeakPolarHBondContact O-CD 3.45Å; L710-R719 HydrophobicContact CB-CB 4.03Å; L710-R719 HydrophobicContact CD1-CB 4.26Å; D711-R719 WeakPolarHBondContact OD1-CD 3.23Å; D711-R719 VanDerWaalsContact OD1-CG 3.31Å; D711-R719 WeakPolarHBondContact OD1-CG 3.4Å; D711-R719 IonicContact OD1-NE 3.3Å; D711-R719 IonicContact OD2-NE 3.41Å; F715-R719 VanDerWaalsContact O-CB 3.31Å; F715-R719 WeakPolarHBondContact O-CB 3.37Å; F715-R719 PolarHBondContact O-N 3.27Å; W716-R719 WeakPolarHBondContact O-CB 3.12Å; H717-R719 VanDerWaalsContact C-N 3.31Å; H717-R719 PolarHBondContact O-N 2.93Å; R719-F722 PolarHBondContact O-N 2.96Å; R719-D723 IonicContact CZ-OD1 3.81Å; R719-D723 IonicContact CZ-OD2 3.85Å; R719-D723 VanDerWaalsContact CZ-OD2 3.23Å; R719-D723 IonicContact NH1-OD1 3.74Å; R719-D723 PolarHBondContact NH1-OD1 2.91Å; R719-D723 IonicContact NH1-OD2 3.67Å; R719-D723 PolarHBondContact NH1-OD2 2.96Å; R719-D723 VanDerWaalsContact NH2-CG 3.34Å; R719-D723 IonicContact NH2-OD1 2.86Å; R719-D723 PolarHBondContact NH2-OD1 3.3Å; R719-D723 IonicContact NH2-OD2 2.7Å; R719-D723 PolarHBondContact NH2-OD2 2.89Å; R719-D723 PolarHBondContact O-N 2.78Å
720A89.7Confident86.9Confident46 Ų4660.7 Ų60.738%0.3829%0.29SS..Hα-helixtrans-65.7-4317700000112.4W716 H717 K718 F722 D723 I724W716-A720 WeakPolarHBondContact O-CB 3.19Å; W716-A720 PolarHBondContact O-N 3.38Å; H717-A720 PolarHBondContact O-N 2.86Å; K718-A720 VanDerWaalsContact C-N 3.35Å; K718-A720 PolarHBondContact O-N 2.76Å; A720-F722 VanDerWaalsContact C-N 3.29Å; A720-F722 PolarHBondContact O-N 2.95Å; A720-D723 PolarHBondContact O-N 2.94Å; A720-I724 VanDerWaalsContact O-CG1 3.27Å; A720-I724 WeakPolarHBondContact O-CG1 3.22Å; A720-I724 PolarHBondContact O-N 3.3Å
721E89.8Confident85.8Confident54 Ų5464.9 Ų64.925%0.25232%0.317SS..Hα-helixtrans-58.3-41.5174.6-72.3-178.9157.500111.5R407 H717 K718 I724 L725R407-E721 IonicContact CZ-OE1 3.64Å; R407-E721 IonicContact NH1-OE1 3.2Å; R407-E721 PolarHBondContact NH1-OE1 2.84Å; R407-E721 VanDerWaalsContact NH1-OE1 3.12Å; R407-E721 IonicContact NH1-OE2 2.66Å; R407-E721 IonicContact NH2-OE1 2.95Å; H717-E721 WeakPolarHBondContact O-CG 3.06Å; H717-E721 PolarHBondContact O-N 2.85Å; K718-E721 PolarHBondContact O-N 2.88Å; E721-I724 PolarHBondContact O-N 2.89Å; E721-L725 PolarHBondContact O-N 2.93Å; E721-L725 VanDerWaalsContact O-N 3.1Å
722F91.3Very high84.8Confident0 Ų067.5 Ų67.50%034%0.339CS..Hα-helixtrans-65.2-42.5176.2-179.3-104.7000112.3F683 L686 I703 Y706 R707 K718 R719 A720 I724 L725 R726F683-F722 HydrophobicContact CD1-CD2 4.19Å; F683-F722 HydrophobicContact CD1-CE2 4.07Å; F683-F722 AromaticContact CE1-CD2 3.56Å; F683-F722 HydrophobicContact CE1-CD2 3.56Å; F683-F722 AromaticContact CE1-CE2 3.91Å; F683-F722 HydrophobicContact CE1-CE2 3.91Å; F683-F722 HydrophobicContact CE2-CD2 4.38Å; F683-F722 HydrophobicContact CG-CE2 4.47Å; F683-F722 AromaticContact CZ-CD2 3.66Å; F683-F722 HydrophobicContact CZ-CD2 3.66Å; F683-F722 HydrophobicContact CZ-CE2 4.13Å; L686-F722 HydrophobicContact CD2-CE2 3.97Å; L686-F722 HydrophobicContact CD2-CZ 4.2Å; I703-F722 HydrophobicContact CG2-CE1 4.01Å; I703-F722 HydrophobicContact CG2-CZ 4.25Å; Y706-F722 HydrophobicContact CD1-CD1 4.42Å; Y706-F722 HydrophobicContact CD1-CD2 4.26Å; Y706-F722 HydrophobicContact CD1-CE1 4.15Å; Y706-F722 AromaticContact CD1-CE2 4Å; Y706-F722 HydrophobicContact CD1-CE2 4Å; Y706-F722 HydrophobicContact CD1-CG 4.46Å; Y706-F722 AromaticContact CD1-CZ 3.94Å; Y706-F722 HydrophobicContact CD1-CZ 3.94Å; Y706-F722 AromaticContact CE1-CD2 3.97Å; Y706-F722 HydrophobicContact CE1-CD2 3.97Å; Y706-F722 HydrophobicContact CE1-CE2 4.08Å; Y706-F722 HydrophobicContact CE1-CG 4.26Å; Y706-F722 HydrophobicContact CE1-CZ 4.46Å; R707-F722 HydrophobicContact CG-CD1 3.94Å; R707-F722 HydrophobicContact CG-CE1 3.82Å; K718-F722 WeakPolarHBondContact O-CB 3.4Å; K718-F722 PolarHBondContact O-N 2.84Å; R719-F722 PolarHBondContact O-N 2.96Å; A720-F722 VanDerWaalsContact C-N 3.29Å; A720-F722 PolarHBondContact O-N 2.95Å; F722-I724 PolarHBondContact O-N 2.89Å; F722-L725 WeakPolarHBondContact O-CB 3.08Å; F722-L725 PolarHBondContact O-N 2.82Å; F722-R726 PolarHBondContact O-N 3.12Å
723D89Confident83.9Confident28 Ų2866.4 Ų66.415%0.1533%0.329CS..Hα-helixtrans-66.2-35.3175-93.7-1.6000113.2R707 R719 A720 L725 R726 G727R707-D723 IonicContact CZ-OD1 2.78Å; R707-D723 IonicContact NH1-OD1 2.91Å; R707-D723 PolarHBondContact NH1-OD1 3.01Å; R707-D723 IonicContact NH1-OD2 3.36Å; R719-D723 IonicContact CZ-OD1 3.81Å; R719-D723 IonicContact CZ-OD2 3.85Å; R719-D723 VanDerWaalsContact CZ-OD2 3.23Å; R719-D723 IonicContact NH1-OD1 3.74Å; R719-D723 PolarHBondContact NH1-OD1 2.91Å; R719-D723 IonicContact NH1-OD2 3.67Å; R719-D723 PolarHBondContact NH1-OD2 2.96Å; R719-D723 VanDerWaalsContact NH2-CG 3.34Å; R719-D723 IonicContact NH2-OD1 2.86Å; R719-D723 PolarHBondContact NH2-OD1 3.3Å; R719-D723 IonicContact NH2-OD2 2.7Å; R719-D723 PolarHBondContact NH2-OD2 2.89Å; R719-D723 PolarHBondContact O-N 2.78Å; A720-D723 PolarHBondContact O-N 2.94Å; D723-L725 VanDerWaalsContact C-N 3.3Å; D723-L725 PolarHBondContact O-N 3.3Å; D723-R726 PolarHBondContact O-N 2.85Å; D723-G727 PolarHBondContact O-N 3.22Å
724I86.1Confident83Confident106 Ų10671.7 Ų71.754%0.54435%0.352SS..Hα-helixtrans-62.6-42.5174.2-70163.7000109.8A720 E721 F722 K728A720-I724 VanDerWaalsContact O-CG1 3.27Å; A720-I724 WeakPolarHBondContact O-CG1 3.22Å; A720-I724 PolarHBondContact O-N 3.3Å; E721-I724 PolarHBondContact O-N 2.89Å; F722-I724 PolarHBondContact O-N 2.89Å; I724-K728 WeakPolarHBondContact O-CG 3.5Å; I724-K728 PolarHBondContact O-N 2.9Å
725L84.9Confident81.9Confident19 Ų1966.9 Ų66.910%0.09935%0.346CS..Hα-helixtrans-61.3-46.3174-178.664.6000110.8T412 F683 L686 E721 F722 D723 G727 K728T412-L725 HydrophobicContact CG2-CD1 3.93Å; F683-L725 HydrophobicContact CD1-CD2 4.06Å; F683-L725 HydrophobicContact CE1-CD2 4Å; L686-L725 HydrophobicContact CD2-CB 4.5Å; L686-L725 HydrophobicContact CD2-CD2 4.07Å; L686-L725 HydrophobicContact CD2-CG 4Å; E721-L725 PolarHBondContact O-N 2.93Å; E721-L725 VanDerWaalsContact O-N 3.1Å; F722-L725 WeakPolarHBondContact O-CB 3.08Å; F722-L725 PolarHBondContact O-N 2.82Å; D723-L725 VanDerWaalsContact C-N 3.3Å; D723-L725 PolarHBondContact O-N 3.3Å; L725-G727 PolarHBondContact O-N 3.47Å; L725-K728 WeakPolarHBondContact O-CB 3.44Å; L725-K728 PolarHBondContact O-N 3.19Å
726R85.9Confident80.8Confident24 Ų2472.6 Ų72.69%0.09138%0.378CS..Hα-helixtrans-59.5-48.3177.8-172-172.7172.5170.52.7112.3L686 E704 F722 D723 K728 L729 D730L686-R726 HydrophobicContact CD1-CB 4.23Å; L686-R726 HydrophobicContact CD1-CG 3.99Å; L686-R726 HydrophobicContact CD2-CB 4.01Å; E704-R726 IonicContact OE2-NH1 3.81Å; F722-R726 PolarHBondContact O-N 3.12Å; D723-R726 PolarHBondContact O-N 2.85Å; R726-K728 PolarHBondContact O-N 3.04Å; R726-L729 PolarHBondContact O-N 3.07Å; R726-L729 VanDerWaalsContact O-N 3.07Å; R726-D730 PolarHBondContact O-N 2.92Å
727G80.8Confident79.8Confident7 Ų768.7 Ų68.77%0.07238%0.376CS..Hα-helixtrans-68.5-16.6-179.500000115D723 L725 K734D723-G727 PolarHBondContact O-N 3.22Å; L725-G727 PolarHBondContact O-N 3.47Å; G727-K734 VanDerWaalsContact O-CE 3.23Å; G727-K734 WeakPolarHBondContact O-CE 3.5Å
728K77.5Confident78.9Confident153 Ų15369.9 Ų69.967%0.66538%0.381SS*.Hα-helixtrans-72-34.9170-77.2175.4-178.1-176.70111.8I724 L725 R726I724-K728 WeakPolarHBondContact O-CG 3.5Å; I724-K728 PolarHBondContact O-N 2.9Å; L725-K728 WeakPolarHBondContact O-CB 3.44Å; L725-K728 PolarHBondContact O-N 3.19Å; R726-K728 PolarHBondContact O-N 3.04Å
729L70.8Confident77.9Confident85 Ų8574.2 Ų74.245%0.44541%0.411SS..Hα-helixtrans-97.5-32.9-172.2-62171.4000112L686 R726L686-L729 HydrophobicContact CD1-CD1 4.43Å; L686-L729 HydrophobicContact CG-CD1 4.11Å; L686-L729 WeakPolarHBondContact O-CD1 3.29Å; R726-L729 PolarHBondContact O-N 3.07Å; R726-L729 VanDerWaalsContact O-N 3.07Å
730D70.7Confident77Confident47 Ų4778.4 Ų78.425%0.25143%0.43SS..  trans-122.396170.4178.28.3000110.5R726 S732 S733R726-D730 PolarHBondContact O-N 2.92Å; D730-S732 VanDerWaalsContact CG-OG 3.29Å; D730-S732 PolarHBondContact O-N 2.93Å; D730-S732 VanDerWaalsContact O-N 3.14Å; D730-S732 WeakPolarHBondContact OD1-CB 3.28Å; D730-S732 PolarHBondContact OD1-N 3.19Å; D730-S732 PolarHBondContact OD1-OG 2.89Å; D730-S732 PolarHBondContact OD2-OG 2.82Å; D730-S733 WeakPolarHBondContact O-CB 2.95Å; D730-S733 PolarHBondContact O-N 3.42Å; D730-S733 PolarHBondContact O-OG 2.92Å
731P70.7Confident76.3Confident88 Ų8879.3 Ų79.357%0.57143%0.431SS*.G310 helixtrans-60.2-22.3178.2-25.134.8000114.5S733 K734P731-S733 VanDerWaalsContact C-N 3.28Å; P731-K734 PolarHBondContact O-N 2.9Å
732S69.6Low76Confident106 Ų10679.8 Ų79.874%0.74144%0.44SS*.G310 helixtrans-73.2-23.6176.8770000112.4D730 K734D730-S732 VanDerWaalsContact CG-OG 3.29Å; D730-S732 PolarHBondContact O-N 2.93Å; D730-S732 VanDerWaalsContact O-N 3.14Å; D730-S732 WeakPolarHBondContact OD1-CB 3.28Å; D730-S732 PolarHBondContact OD1-N 3.19Å; D730-S732 PolarHBondContact OD1-OG 2.89Å; D730-S732 PolarHBondContact OD2-OG 2.82Å; S732-K734 VanDerWaalsContact C-N 3.27Å; S732-K734 PolarHBondContact O-N 3.29Å
733S69.6Low75.5Confident25 Ų2580.1 Ų80.118%0.17544%0.442CS..G310 helixtrans-80.6-1.4175.975.10000114.3D730 P731D730-S733 WeakPolarHBondContact O-CB 2.95Å; D730-S733 PolarHBondContact O-N 3.42Å; D730-S733 PolarHBondContact O-OG 2.92Å; P731-S733 VanDerWaalsContact C-N 3.28Å
734K70.2Confident75.1Confident129 Ų12985.6 Ų85.656%0.56147%0.471SS*.SBendtrans-61.8124.4177.6-77-177.5179.61780109.4G727 P731 S732 L736G727-K734 VanDerWaalsContact O-CE 3.23Å; G727-K734 WeakPolarHBondContact O-CE 3.5Å; P731-K734 PolarHBondContact O-N 2.9Å; S732-K734 VanDerWaalsContact C-N 3.27Å; S732-K734 PolarHBondContact O-N 3.29Å; K734-L736 PolarHBondContact O-N 3.37Å
735P67.4Low75Confident93 Ų9386.6 Ų86.660%0.60447%0.472SS*.PPolyproline II helixtrans-60136.7177.924.5-32.1000109.2
736L69.1Low75Confident154 Ų15487.9 Ų87.981%0.80648%0.482SS*.PPolyproline II helixtrans-57.8141.1171.9-67.1172.5000108.6K734 Q738K734-L736 PolarHBondContact O-N 3.37Å; L736-Q738 PolarHBondContact O-N 2.91Å
737A69.3Low74.8Confident61 Ų6189.4 Ų89.450%0.50451%0.505SS..PPolyproline II helixtrans-58.6117.7171.900000108.5F740A737-F740 HydrophobicContact CB-CE1 3.87Å; A737-F740 HydrophobicContact CB-CZ 3.99Å; A737-F740 WeakPolarHBondContact O-CE2 3.22Å; A737-F740 WeakPolarHBondContact O-CZ 3.32Å
738Q69.4Low74.9Confident182 Ų18295.2 Ų95.285%0.8553%0.529SS*.  trans-89.8-14.3179.3-66.6178.2-17.300112.1L736L736-Q738 PolarHBondContact O-N 2.91Å
739V72.7Confident75Confident130 Ų13090 Ų9079%0.78851%0.512SS*.  trans-123.8128.5-179.1-176.30000109.1
740F73.3Confident75.2Confident110 Ų11087.1 Ų87.148%0.48250%0.496SS..  trans-125140.1178.1-57.3-88000109.7A737A737-F740 HydrophobicContact CB-CE1 3.87Å; A737-F740 HydrophobicContact CB-CZ 3.99Å; A737-F740 WeakPolarHBondContact O-CE2 3.22Å; A737-F740 WeakPolarHBondContact O-CZ 3.32Å
741V75.4Confident75.1Confident65 Ų6587 Ų8739%0.39450%0.499SS..  trans-84.6128170.2-169.40000108.5S749 I750V741-S749 CarbonylContact O-C 3.58Å; V741-S749 VanDerWaalsContact O-CA 3.29Å; V741-S749 WeakPolarHBondContact O-CA 3.49Å; V741-S749 PolarHBondContact O-OG 2.91Å; V741-I750 HydrophobicContact CB-CD1 3.92Å; V741-I750 HydrophobicContact CB-CG1 3.69Å; V741-I750 HydrophobicContact CG1-CD1 3.39Å; V741-I750 HydrophobicContact CG1-CG1 3.67Å; V741-I750 WeakPolarHBondContact O-CG1 3.46Å; V741-I750 PolarHBondContact O-N 3.4Å
742S81.6Confident74.4Confident63 Ų6390.9 Ų90.944%0.44150%0.503SS..BIsolated β-bridgetrans-110.8149.4177.856.40000112N744 G747S742-N744 PolarHBondContact O-N 2.9Å; S742-G747 WeakPolarHBondContact CB-O 3.48Å
743C81.8Confident73.4Confident8 Ų890.4 Ų90.45%0.05450%0.5CS..  trans-72.6124171.9-179.20000110.7F745 C746 G747 K748 I750 C781C743-F745 PolarHBondContact O-N 3.11Å; C743-F745 PolarHBondContact SG-N 2.89Å; C743-F745 VanDerWaalsContact SG-N 3.41Å; C743-C746 PolarHBondContact O-N 3.1Å; C743-G747 VanDerWaalsContact O-CA 3.31Å; C743-G747 WeakPolarHBondContact O-CA 3.45Å; C743-G747 PolarHBondContact O-N 3.49Å; C743-K748 PolarHBondContact N-O 2.89Å; C743-I750 HydrophobicContact CB-CG2 3.88Å; C743-C781 HydrophobicContact CB-CB 4.2Å; C743-C781 VanDerWaalsContact CB-SG 3.5Å; C743-C781 VanDerWaalsContact SG-SG 3.64Å
744N80.1Confident72Confident142 Ų14292.2 Ų92.276%0.75951%0.512SS*.THydrogen-bonded Turntrans-59.3-19.9175.8-73.1-14.2000114.2S742S742-N744 PolarHBondContact O-N 2.9Å
745F83.5Confident70.5Confident127 Ų12791.1 Ų91.156%0.55752%0.521SS*.THydrogen-bonded Turntrans-89.2-37.8-178.8-63.2-75.6000114C743 K786C743-F745 PolarHBondContact O-N 3.11Å; C743-F745 PolarHBondContact SG-N 2.89Å; C743-F745 VanDerWaalsContact SG-N 3.41Å; F745-K786 HydrophobicContact CB-CD 3.83Å; F745-K786 HydrophobicContact CD1-CD 3.5Å; F745-K786 HydrophobicContact CD2-CB 3.73Å; F745-K786 HydrophobicContact CD2-CD 3.76Å; F745-K786 HydrophobicContact CD2-CG 4.36Å; F745-K786 HydrophobicContact CE1-CD 3.9Å; F745-K786 HydrophobicContact CE2-CB 4.06Å; F745-K786 HydrophobicContact CE2-CD 4.13Å; F745-K786 HydrophobicContact CG-CB 4.22Å; F745-K786 HydrophobicContact CG-CD 3.42Å; F745-K786 VanDerWaalsContact CG-CD 3.42Å; F745-K786 HydrophobicContact CG-CG 4.38Å; F745-K786 HydrophobicContact CZ-CD 4.19Å
746C85.6Confident69.1Low47 Ų4791 Ų9132%0.31853%0.527SS..THydrogen-bonded Turntrans-125.93-174.370.90000114.4C743 K748 C781 C784C743-C746 PolarHBondContact O-N 3.1Å; C746-K748 PolarHBondContact O-N 2.92Å; C746-C781 VanDerWaalsContact SG-SG 3.67Å; C746-C784 HydrophobicContact CB-CB 3.8Å; C746-C784 VanDerWaalsContact SG-SG 3.63Å
747G81.7Confident67.5Low55 Ų5590.5 Ų90.557%0.56752%0.523SS*.  trans69-17.2179.400000115.8S742 C743S742-G747 WeakPolarHBondContact CB-O 3.48Å; C743-G747 VanDerWaalsContact O-CA 3.31Å; C743-G747 WeakPolarHBondContact O-CA 3.45Å; C743-G747 PolarHBondContact O-N 3.49Å
748K82.1Confident65.8Low130 Ų13093.5 Ų93.557%0.56554%0.537SS*.  trans-64.5144.7179.3-63.3-178.9178.9179.90111.9C743 C746C743-K748 PolarHBondContact N-O 2.89Å; C746-K748 PolarHBondContact O-N 2.92Å
749S79.7Confident64.2Low44 Ų4493.1 Ų93.131%0.30854%0.535SS..BIsolated β-bridgetrans-60.9138.7175.2-173.20000111.1V741 S751V741-S749 CarbonylContact O-C 3.58Å; V741-S749 VanDerWaalsContact O-CA 3.29Å; V741-S749 WeakPolarHBondContact O-CA 3.49Å; V741-S749 PolarHBondContact O-OG 2.91Å; S749-S751 PolarHBondContact OG-N 3.01Å
750I76.6Confident62.6Low23 Ų2396.5 Ų96.512%0.11854%0.542CS..  trans-94.3-8.417463.4167.8000112.5V741 C743 Y752 L788 M798V741-I750 HydrophobicContact CB-CD1 3.92Å; V741-I750 HydrophobicContact CB-CG1 3.69Å; V741-I750 HydrophobicContact CG1-CD1 3.39Å; V741-I750 HydrophobicContact CG1-CG1 3.67Å; V741-I750 WeakPolarHBondContact O-CG1 3.46Å; V741-I750 PolarHBondContact O-N 3.4Å; C743-I750 HydrophobicContact CB-CG2 3.88Å; I750-Y752 PolarHBondContact O-N 2.93Å; I750-L788 HydrophobicContact CD1-CD2 4.24Å; I750-L788 HydrophobicContact CG2-CD2 4.1Å; I750-M798 HydrophobicContact CD1-CE 3.24Å
751S68.1Low60.6Low44 Ų4494.7 Ų94.731%0.30855%0.554SS.*  trans-74.1123.1178.8-60.40000110.3S749 S753S749-S751 PolarHBondContact OG-N 3.01Å; S751-S753 PolarHBondContact O-N 3.45Å; S751-S753 VanDerWaalsContact O-N 3.13Å
752Y55.3Low58.6Low171 Ų171103.7 Ų103.767%0.67158%0.581SS**G310 helixtrans-69.7-7.6-175.7-151.9-93.4000114I750 C754 S755I750-Y752 PolarHBondContact O-N 2.93Å; Y752-C754 PolarHBondContact O-N 3.31Å; Y752-S755 PolarHBondContact O-OG 2.84Å
753S49.4Very low56.4Low96 Ų96104.1 Ų104.167%0.67160%0.596SS**G310 helixtrans-83.3-0.4-174.136.60000115.4S751S751-S753 PolarHBondContact O-N 3.45Å; S751-S753 VanDerWaalsContact O-N 3.13Å
754C40.1Very low54.1Low63 Ų63113.6 Ų113.643%0.42664%0.636SS.*G310 helixtrans-89.88.1178.5-68.50000115Y752 A756Y752-C754 PolarHBondContact O-N 3.31Å; C754-A756 PolarHBondContact O-N 2.86Å
755S39.4Very low51.9Low106 Ų106111.2 Ų111.274%0.74163%0.631SS**G310 helixtrans-73.11.6173.1440000114.3Y752Y752-S755 PolarHBondContact O-OG 2.84Å
756A36.8Very low49.8Very low90 Ų90114 Ų11474%0.74465%0.646SS**G310 helixtrans-96.820.3174.600000114.1C754C754-A756 PolarHBondContact O-N 2.86Å
757M35.8Very low47.2Very low144 Ų144122.4 Ų122.471%0.70967%0.672SS**  trans-96.2112.6165.9-83.4-67.9-172.200109.6H759M757-H759 VanDerWaalsContact C-N 3.28Å; M757-H759 PolarHBondContact O-N 2.78Å
758P33.7Very low44.7Very low123 Ų123123.2 Ų123.280%0.79968%0.68SS**  trans-78.880.1174.732.7-30.6000108.9
759H35.9Very low42.2Very low174 Ų174124 Ų12481%0.80670%0.696SS**  trans-108.5117.5161.2-87.6-58.6000110.3M757M757-H759 VanDerWaalsContact C-N 3.28Å; M757-H759 PolarHBondContact O-N 2.78Å
760Q37.9Very low39.9Very low201 Ų201127.8 Ų127.894%0.93972%0.722SS**  trans-46.5130.6171.7-67.3173.5-17.600111.5
761G31.5Very low37.8Very low72 Ų72130.5 Ų130.574%0.74276%0.756SS**  trans147.492161.900000116.4
762R35Very low35.8Very low254 Ų254132.4 Ų132.496%0.95877%0.769SS**  trans62.2121.1152.5-65.1-172.7178.5-163.7-0.1119.1
763G35.5Very low34.9Very low73 Ų73130.6 Ų130.675%0.75378%0.779SS**  trans-56159.3-173.500000117.5
764F33.5Very low34.3Very low207 Ų207131.4 Ų131.491%0.90878%0.78SS**  trans-127.3127.8146.7-102-86.2000110
765S32.8Very low34.5Very low92 Ų92136.6 Ų136.664%0.64380%0.795SS**  trans-52.4138.8-175174.40000114.8
766Q38.9Very low34.9Very low185 Ų185135.4 Ų135.486%0.86479%0.787SS**  trans-61.1136.7160.4-70.1171.8-19.200111
767Y32.4Very low35.8Very low223 Ų223138 Ų13888%0.87578%0.781SS**  trans-145.2109.7147.3-89.5-73.7000110.4
768G28.7Very low37.3Very low72 Ų72133.1 Ų133.174%0.74276%0.759SS**SBendtrans68.4134.115600000117.6
769V28.8Very low39.3Very low146 Ų146129.6 Ų129.689%0.88574%0.736SS**  cis-153.3140.98.8170.50000106.5
770S32.1Very low41.5Very low124 Ų124123.5 Ų123.587%0.86771%0.712SS**  trans-61.8133.6176.2-52.20000112.3
771G31.9Very low43.6Very low80 Ų80113.9 Ų113.983%0.82567%0.668SS**SBendtrans11370.5163.300000116
772S27Very low45.9Very low84 Ų84114 Ų11459%0.58766%0.655SS**  trans163.3135.8145.7-176.40000109.6T774S772-T774 PolarHBondContact O-N 2.91Å
773P36.3Very low48.1Very low133 Ų133103.7 Ų103.786%0.86463%0.629SS**  trans-79.850.3170.636.1-33000110K775P773-K775 PolarHBondContact O-N 2.68Å; P773-K775 VanDerWaalsContact O-N 3.1Å
774T35.7Very low50.5Low113 Ų113102.4 Ų102.469%0.69361%0.607SS**  trans-74.6101.7165.442.10000106.9S772 S776S772-T774 PolarHBondContact O-N 2.91Å; T774-S776 PolarHBondContact O-N 2.89Å
775K44.8Very low52.9Low172 Ų172102.5 Ų102.575%0.74860%0.601SS**  trans-36.1109.9170.7-70.3178.8177.1177.90108.9P773 K777P773-K775 PolarHBondContact O-N 2.68Å; P773-K775 VanDerWaalsContact O-N 3.1Å; K775-K777 PolarHBondContact O-N 2.95Å
776S47.8Very low55.2Low81 Ų81103 Ų10357%0.56659%0.592SS**  trans-58.2111177.155.10000107.8T774 V778T774-S776 PolarHBondContact O-N 2.89Å; S776-V778 PolarHBondContact O-N 2.74Å
777K56.4Low57.3Low144 Ų14497.8 Ų97.863%0.62657%0.574SS**  trans-61.3104179.8-66.7177.1-178.4177.30107.8K775 T779K775-K777 PolarHBondContact O-N 2.95Å; K777-T779 VanDerWaalsContact C-N 3.26Å; K777-T779 HydrophobicContact CB-CG2 4.39Å; K777-T779 PolarHBondContact O-N 3Å
778V66.3Low59.8Low42 Ų4287.9 Ų87.926%0.25554%0.536SS..  trans-74.584.3179-174.60000107.1S776 S780 P782 L788 M798S776-V778 PolarHBondContact O-N 2.74Å; V778-S780 VanDerWaalsContact C-N 3.32Å; V778-S780 WeakPolarHBondContact CG1-O 3.36Å; V778-P782 HydrophobicContact CG1-CG 4.15Å; V778-L788 HydrophobicContact CG1-CD1 4.05Å; V778-L788 WeakPolarHBondContact O-CD1 3.4Å; V778-M798 VanDerWaalsContact O-O 3.05Å
779T75.2Confident62.5Low50 Ų5087.8 Ų87.831%0.30752%0.523SS..  trans-89.7-4174550000112.1K777 L788 N797K777-T779 VanDerWaalsContact C-N 3.26Å; K777-T779 HydrophobicContact CB-CG2 4.39Å; K777-T779 PolarHBondContact O-N 3Å; T779-L788 PolarHBondContact O-N 3.49Å; T779-N797 HydrophobicContact CG2-CB 4.32Å; T779-N797 PolarHBondContact O-ND2 2.8Å
780S82.4Confident65.3Low45 Ų4588.3 Ų88.332%0.31551%0.509SS..BIsolated β-bridgetrans-141.7154.5179.358.90000111.3V778 R785 K786V778-S780 VanDerWaalsContact C-N 3.32Å; V778-S780 WeakPolarHBondContact CG1-O 3.36Å; S780-R785 WeakPolarHBondContact CB-O 3.39Å; S780-K786 CarbonylContact C-O 3.56Å; S780-K786 VanDerWaalsContact CA-O 3.29Å; S780-K786 WeakPolarHBondContact CA-O 3.49Å; S780-K786 WeakPolarHBondContact CB-O 3.4Å
781C82.5Confident68.1Low0 Ų082.4 Ų82.40%047%0.467CS..  trans-62.6127.9-179.8174.30000111.2C743 C746 G783 C784 R785 K786 L788C743-C781 HydrophobicContact CB-CB 4.2Å; C743-C781 VanDerWaalsContact CB-SG 3.5Å; C743-C781 VanDerWaalsContact SG-SG 3.64Å; C746-C781 VanDerWaalsContact SG-SG 3.67Å; C781-G783 VanDerWaalsContact C-N 3.26Å; C781-G783 PolarHBondContact O-N 2.88Å; C781-G783 PolarHBondContact SG-N 2.86Å; C781-G783 VanDerWaalsContact SG-N 3.41Å; C781-C784 VanDerWaalsContact SG-SG 3.68Å; C781-R785 WeakPolarHBondContact O-CA 3.41Å; C781-R785 PolarHBondContact O-N 3.3Å; C781-K786 PolarHBondContact N-O 2.77Å; C781-L788 HydrophobicContact CB-CD2 4.46Å
782P79.8Confident71Confident73 Ų7379.8 Ų79.847%0.47444%0.438SS..THydrogen-bonded Turntrans-59.5-34.5177.9-24.233.4000113.7V778V778-P782 HydrophobicContact CG1-CG 4.15Å
783G80.6Confident74Confident39 Ų3978.6 Ų78.640%0.40243%0.425SS..THydrogen-bonded Turntrans-76.5-41.9-177.200000115.9C781C781-G783 VanDerWaalsContact C-N 3.26Å; C781-G783 PolarHBondContact O-N 2.88Å; C781-G783 PolarHBondContact SG-N 2.86Å; C781-G783 VanDerWaalsContact SG-N 3.41Å
784C85.9Confident76.6Confident45 Ų4574.1 Ų74.130%0.30440%0.396SS..THydrogen-bonded Turntrans-123.60.2-173.8700000114.3C746 C781 K786C746-C784 HydrophobicContact CB-CB 3.8Å; C746-C784 VanDerWaalsContact SG-SG 3.63Å; C781-C784 VanDerWaalsContact SG-SG 3.68Å; C784-K786 PolarHBondContact O-N 3.21Å
785R83.9Confident79.1Confident209 Ų20973.6 Ų73.679%0.78939%0.389SS*.  trans59.26.4-179.9-56.4-176.1-179.5-177.7-0.5116.1S780 C781S780-R785 WeakPolarHBondContact CB-O 3.39Å; C781-R785 WeakPolarHBondContact O-CA 3.41Å; C781-R785 PolarHBondContact O-N 3.3Å
786K82.6Confident81.1Confident104 Ų10469.9 Ų69.945%0.45238%0.375SS..PPolyproline II helixtrans-66.8145.1172.5-71.3-160.6175.2-164.50111.4F745 S780 C781 C784F745-K786 HydrophobicContact CB-CD 3.83Å; F745-K786 HydrophobicContact CD1-CD 3.5Å; F745-K786 HydrophobicContact CD2-CB 3.73Å; F745-K786 HydrophobicContact CD2-CD 3.76Å; F745-K786 HydrophobicContact CD2-CG 4.36Å; F745-K786 HydrophobicContact CE1-CD 3.9Å; F745-K786 HydrophobicContact CE2-CB 4.06Å; F745-K786 HydrophobicContact CE2-CD 4.13Å; F745-K786 HydrophobicContact CG-CB 4.22Å; F745-K786 HydrophobicContact CG-CD 3.42Å; F745-K786 VanDerWaalsContact CG-CD 3.42Å; F745-K786 HydrophobicContact CG-CG 4.38Å; F745-K786 HydrophobicContact CZ-CD 4.19Å; S780-K786 CarbonylContact C-O 3.56Å; S780-K786 VanDerWaalsContact CA-O 3.29Å; S780-K786 WeakPolarHBondContact CA-O 3.49Å; S780-K786 WeakPolarHBondContact CB-O 3.4Å; C781-K786 PolarHBondContact N-O 2.77Å; C784-K786 PolarHBondContact O-N 3.21Å
787P83.1Confident82.8Confident75 Ų7567.3 Ų67.349%0.48736%0.355SS..BIsolated β-bridgetrans-62.7144.3-176.826.3-34.6000111.6
788L83.9Confident84Confident14 Ų1462.1 Ų62.17%0.07333%0.333CS..PPolyproline II helixtrans-75.7160.8172.7-66.4-176.7000111.4I750 V778 T779 C781 M798I750-L788 HydrophobicContact CD1-CD2 4.24Å; I750-L788 HydrophobicContact CG2-CD2 4.1Å; V778-L788 HydrophobicContact CG1-CD1 4.05Å; V778-L788 WeakPolarHBondContact O-CD1 3.4Å; T779-L788 PolarHBondContact O-N 3.49Å; C781-L788 HydrophobicContact CB-CD2 4.46Å; L788-M798 HydrophobicContact CB-CB 4.14Å; L788-M798 HydrophobicContact CB-CE 4.26Å; L788-M798 HydrophobicContact CD1-CB 4.49Å; L788-M798 HydrophobicContact CD1-CE 3.73Å; L788-M798 HydrophobicContact CD2-CE 4.21Å; L788-M798 HydrophobicContact CG-CE 4.3Å
789P85.1Confident84.3Confident71 Ų7162.4 Ų62.446%0.46135%0.345SS..PPolyproline II helixtrans-52145.7179.3-27.635.9000113.1N797 M798 F830P789-N797 WeakPolarHBondContact O-CA 3.36Å; P789-M798 PolarHBondContact O-N 2.79Å; P789-F830 HydrophobicContact CB-CE1 4.2Å; P789-F830 HydrophobicContact CB-CZ 4.14Å
790R88.8Confident84.5Confident156 Ų15661.3 Ų61.359%0.58934%0.338SS*.BIsolated β-bridgetrans-98.4145.1179.1-71.4178.2-178.8-1688110.9A792 L795 M796 N797R790-A792 PolarHBondContact O-N 3.08Å; R790-L795 VanDerWaalsContact CD-O 3.27Å; R790-L795 WeakPolarHBondContact CD-O 3.4Å; R790-L795 WeakPolarHBondContact CG-O 3.36Å; R790-M796 WeakPolarHBondContact CA-O 3.4Å; R790-N797 WeakPolarHBondContact CG-OD1 3.13Å; R790-N797 PolarHBondContact NE-OD1 3.47Å
791C90.5Very high84.1Confident0 Ų062.2 Ų62.20%034%0.343CS..PPolyproline II helixtrans-62.5129.5167.3172.70000109.4L793 C794 L795 M796 F830C791-L793 PolarHBondContact O-N 2.81Å; C791-L793 VanDerWaalsContact O-N 3.1Å; C791-C794 VanDerWaalsContact CB-SG 3.54Å; C791-C794 VanDerWaalsContact SG-SG 3.63Å; C791-L795 WeakPolarHBondContact O-CA 3.44Å; C791-L795 PolarHBondContact O-N 2.93Å; C791-M796 PolarHBondContact N-O 2.85Å; C791-F830 HydrophobicContact CB-CE2 4.16Å
792A91.4Very high83.6Confident25 Ų2564.1 Ų64.121%0.20736%0.355CS..THydrogen-bonded Turntrans-58.9-23.4-179.900000113.8R790 G839 M845 P856 V857R790-A792 PolarHBondContact O-N 3.08Å; A792-G839 PolarHBondContact N-O 3.2Å; A792-M845 HydrophobicContact CB-CE 4.41Å; A792-P856 HydrophobicContact CB-CB 4.23Å; A792-P856 HydrophobicContact CB-CG 3.76Å; A792-V857 HydrophobicContact CB-CG2 3.64Å
793L90.7Very high82.6Confident59 Ų5965.6 Ų65.631%0.30937%0.366SS..THydrogen-bonded Turntrans-99.8-56.9-175.6-66.1170.9000112.9C791 H844 M845 W848 P856C791-L793 PolarHBondContact O-N 2.81Å; C791-L793 VanDerWaalsContact O-N 3.1Å; L793-H844 HydrophobicContact CB-CB 4.23Å; L793-H844 HydrophobicContact CD1-CB 3.82Å; L793-H844 VanDerWaalsContact CD1-O 3.23Å; L793-H844 WeakPolarHBondContact CD1-O 3.36Å; L793-M845 HydrophobicContact CB-CE 4.44Å; L793-M845 HydrophobicContact CD1-CE 3.44Å; L793-M845 VanDerWaalsContact CD1-CE 3.44Å; L793-M845 HydrophobicContact CG-CE 3.76Å; L793-W848 HydrophobicContact CD1-CB 3.61Å; L793-W848 HydrophobicContact CD1-CD2 4.43Å; L793-W848 HydrophobicContact CD1-CE3 4.35Å; L793-W848 HydrophobicContact CD1-CG 4.15Å; L793-W848 HydrophobicContact CD2-CD2 4.07Å; L793-W848 HydrophobicContact CD2-CE3 3.57Å; L793-W848 HydrophobicContact CD2-CZ3 3.98Å; L793-P856 HydrophobicContact CD1-CB 4.49Å; L793-P856 HydrophobicContact CD2-CB 3.63Å; L793-P856 HydrophobicContact CG-CB 4.02Å; L793-P856 HydrophobicContact CG-CG 4.45Å
794C90.3Very high81.1Confident39 Ų3969 Ų6926%0.26439%0.385SS..THydrogen-bonded Turntrans-88.2-4.7-18069.70000114.2C791 M796 H841 H844C791-C794 VanDerWaalsContact CB-SG 3.54Å; C791-C794 VanDerWaalsContact SG-SG 3.63Å; C794-M796 HydrophobicContact CB-CG 4.45Å; C794-M796 WeakPolarHBondContact O-CE 3.22Å; C794-M796 PolarHBondContact O-N 2.85Å; C794-H841 PolarHBondContact SG-ND1 3.02Å; C794-H844 VanDerWaalsContact CB-CE1 3.43Å; C794-H844 WeakPolarHBondContact CB-CE1 3.48Å; C794-H844 VanDerWaalsContact SG-CE1 3.55Å
795L89Confident78.8Confident102 Ų10272.4 Ų72.453%0.53441%0.407SS..  trans59.17.3179.4-53178.4000115.2R790 C791R790-L795 VanDerWaalsContact CD-O 3.27Å; R790-L795 WeakPolarHBondContact CD-O 3.4Å; R790-L795 WeakPolarHBondContact CG-O 3.36Å; C791-L795 WeakPolarHBondContact O-CA 3.44Å; C791-L795 PolarHBondContact O-N 2.93Å
796M86.9Confident76.6Confident95 Ų9568.7 Ų68.747%0.46841%0.413SS..PPolyproline II helixtrans-77.4142.4175.9-63.4-60.9100.700110.6R790 C791 C794 T800R790-M796 WeakPolarHBondContact CA-O 3.4Å; C791-M796 PolarHBondContact N-O 2.85Å; C794-M796 HydrophobicContact CB-CG 4.45Å; C794-M796 WeakPolarHBondContact O-CE 3.22Å; C794-M796 PolarHBondContact O-N 2.85Å; M796-T800 HydrophobicContact CB-CG2 4.31Å; M796-T800 HydrophobicContact CG-CG2 4.48Å
797N84.3Confident74.5Confident26 Ų2666.7 Ų66.714%0.13942%0.422CS..BIsolated β-bridgetrans-67.5145.8177.3-6514.9000110.6T779 P789 R790 G799 T800T779-N797 HydrophobicContact CG2-CB 4.32Å; T779-N797 PolarHBondContact O-ND2 2.8Å; P789-N797 WeakPolarHBondContact O-CA 3.36Å; R790-N797 WeakPolarHBondContact CG-OD1 3.13Å; R790-N797 PolarHBondContact NE-OD1 3.47Å; N797-G799 PolarHBondContact O-N 2.77Å; N797-T800 VanDerWaalsContact O-CB 3.32Å; N797-T800 WeakPolarHBondContact O-CB 3.46Å; N797-T800 PolarHBondContact O-N 3.41Å; N797-T800 VanDerWaalsContact O-N 3.13Å; N797-T800 PolarHBondContact O-OG1 2.8Å
798M80.1Confident72Confident35 Ų3570.3 Ų70.317%0.17244%0.443CS..THydrogen-bonded Turntrans-46.5134.7169.3-17717271.300110.8I750 V778 L788 P789 F830I750-M798 HydrophobicContact CD1-CE 3.24Å; V778-M798 VanDerWaalsContact O-O 3.05Å; L788-M798 HydrophobicContact CB-CB 4.14Å; L788-M798 HydrophobicContact CB-CE 4.26Å; L788-M798 HydrophobicContact CD1-CB 4.49Å; L788-M798 HydrophobicContact CD1-CE 3.73Å; L788-M798 HydrophobicContact CD2-CE 4.21Å; L788-M798 HydrophobicContact CG-CE 4.3Å; P789-M798 PolarHBondContact O-N 2.79Å; M798-F830 HydrophobicContact CB-CD2 3.69Å; M798-F830 HydrophobicContact CB-CE2 3.95Å; M798-F830 HydrophobicContact CB-CG 4.08Å; M798-F830 HydrophobicContact CG-CB 3.81Å; M798-F830 HydrophobicContact CG-CD2 3.88Å; M798-F830 HydrophobicContact CG-CG 3.84Å; M798-F830 HydrophobicContact SD-CB 3.91Å; M798-F830 HydrophobicContact SD-CD1 4.23Å; M798-F830 HydrophobicContact SD-CG 4Å
799G73.8Confident69.4Low48 Ų4873.3 Ų73.350%0.49548%0.478SS..THydrogen-bonded Turntrans96.2-5.4-173.600000114.6N797N797-G799 PolarHBondContact O-N 2.77Å
800T79.2Confident67.1Low28 Ų2880.3 Ų80.317%0.17250%0.501CS..  trans-96115.6172.8-47.10000109.4M796 N797 H841M796-T800 HydrophobicContact CB-CG2 4.31Å; M796-T800 HydrophobicContact CG-CG2 4.48Å; N797-T800 VanDerWaalsContact O-CB 3.32Å; N797-T800 WeakPolarHBondContact O-CB 3.46Å; N797-T800 PolarHBondContact O-N 3.41Å; N797-T800 VanDerWaalsContact O-N 3.13Å; N797-T800 PolarHBondContact O-OG1 2.8Å; T800-H841 PolarHBondContact O-CE1 3.46Å; T800-H841 PolarHBondContact O-NE2 3.43Å
801P73.6Confident64.3Low63 Ų6378.1 Ų78.141%0.40951%0.509SS..  trans-64.3151.317827.6-33.6000110.9S803P801-S803 PolarHBondContact O-N 2.78Å; P801-S803 VanDerWaalsContact O-N 3.11Å
802V72.3Confident61.7Low41 Ų4186.4 Ų86.425%0.24855%0.554CS.*  trans-73.1100.8170.2-171.70000106.7S804 N828 H841V802-S804 PolarHBondContact O-N 3.26Å; V802-N828 WeakPolarHBondContact CB-OD1 3.42Å; V802-N828 PolarHBondContact N-OD1 2.79Å; V802-H841 HydrophobicContact CG2-CB 3.68Å
803S59.7Low58.8Low103 Ų10393.5 Ų93.572%0.7258%0.582SS**  trans-64.1123.1162.3-90.20000106.8P801 C805P801-S803 PolarHBondContact O-N 2.78Å; P801-S803 VanDerWaalsContact O-N 3.11Å; S803-C805 PolarHBondContact O-N 2.97Å
804S48.9Very low56.1Low112 Ų112101.2 Ų101.278%0.78361%0.613SS**  trans-45.8114.9175.7-15.60000109V802 S806V802-S804 PolarHBondContact O-N 3.26Å; S804-S806 PolarHBondContact O-N 2.96Å
805C37.6Very low53.2Low116 Ų116107.5 Ų107.578%0.78464%0.641SS**  trans-58.6129.8170.4-64.70000108.2S803 G807S803-C805 PolarHBondContact O-N 2.97Å; C805-G807 PolarHBondContact O-N 2.84Å
806S37.6Very low50.4Low131 Ų131110.2 Ų110.292%0.91666%0.656SS**SBendtrans-53.8124.5-172.2-48.50000113.4S804S804-S806 PolarHBondContact O-N 2.96Å
807G37Very low47.8Very low62 Ų62113.3 Ų113.364%0.63967%0.674SS**  trans167.486.7168.800000113.1C805C805-G807 PolarHBondContact O-N 2.84Å
808T30.5Very low45.4Very low151 Ų151117.1 Ų117.193%0.92670%0.698SS**SBendtrans110.9121.1163.768.30000117.4
809G30.7Very low43.4Very low77 Ų77126.3 Ų126.379%0.79473%0.731SS**  trans79.3105.1151.200000118.2
810K36.4Very low41.6Very low218 Ų218132 Ų13295%0.94874%0.744SS**  trans-67.5135.3162.1-70.4177173.3179.60110.5
811S30.9Very low39.7Very low109 Ų109137.6 Ų137.676%0.76277%0.773SS**  trans-151.4102.1143.357.80000109E813S811-E813 PolarHBondContact O-N 3.04Å
812D35Very low38.6Very low175 Ų175142.2 Ų142.294%0.93679%0.787SS**  trans-68.299164.6-107.9-27.2000107.7
813E31.1Very low37.8Very low174 Ų174147.4 Ų147.481%0.81381%0.812SS**  trans-111.3113.6157.9-83.9-159.1140.900108.8S811 M815S811-E813 PolarHBondContact O-N 3.04Å; E813-M815 VanDerWaalsContact C-N 3.32Å; E813-M815 PolarHBondContact O-N 2.93Å
814K33.4Very low38Very low220 Ų220145.3 Ų145.396%0.95780%0.802SS**  trans-64.493.2164.6-101.5-179.6171178.80108
815M29.8Very low39.4Very low172 Ų172146.8 Ų146.885%0.84780%0.796SS**  trans-85.3126.2172.5-152.9179-169.800109.9E813 L817E813-M815 VanDerWaalsContact C-N 3.32Å; E813-M815 PolarHBondContact O-N 2.93Å; M815-L817 PolarHBondContact O-N 2.73Å
816D29Very low41.4Very low158 Ų158146.5 Ų146.585%0.84578%0.782SS**  trans-60.3126.8-178.2-123.9-22000111.8T818D816-T818 PolarHBondContact O-N 2.72Å; D816-T818 VanDerWaalsContact O-N 3.12Å
817L33.3Very low43.6Very low160 Ų160144.5 Ų144.584%0.83876%0.761SS**  trans-84.583.1-173.4-74.4164000111.6M815M815-L817 PolarHBondContact O-N 2.73Å
818T33.9Very low45.7Very low106 Ų106143.2 Ų143.265%0.6574%0.739SS**  trans-79151.7159.256.50000110.3D816 E820D816-T818 PolarHBondContact O-N 2.72Å; D816-T818 VanDerWaalsContact O-N 3.12Å; T818-E820 PolarHBondContact O-N 2.99Å
819R38.7Very low48.3Very low229 Ų229142 Ų14286%0.86472%0.718SS**THydrogen-bonded Turntrans-56.63.6-163.5-91.717062174.7-1.8118.2
820E35.4Very low51Low167 Ų167140 Ų14078%0.7869%0.687SS**THydrogen-bonded Turntrans-84.2-24-168-64.6-167.314700114.7T818 K822T818-E820 PolarHBondContact O-N 2.99Å; E820-K822 PolarHBondContact O-N 3Å; E820-K822 VanDerWaalsContact O-N 3.12Å
821N39.3Very low53.4Low145 Ų145131.9 Ų131.978%0.77566%0.656SS**THydrogen-bonded Turntrans-91.359.4-178.1-79.7-28.3000114.3
822K49.3Very low56.1Low161 Ų161132.6 Ų132.670%0.764%0.642SS**THydrogen-bonded Turntrans-94.6-13.5169.8-76-170.6-179.5-177.30114.7E820E820-K822 PolarHBondContact O-N 3Å; E820-K822 VanDerWaalsContact O-N 3.12Å
823L56.9Low58.6Low149 Ų149125.1 Ų125.178%0.7860%0.603SS**SBendtrans-87.9140.2178.9-66.6169.8000110.6
824A64.4Low61Low60 Ų60124.2 Ų124.250%0.49660%0.599SS.*PPolyproline II helixtrans-64.1138.4169.600000108.7N828 W829A824-N828 HydrophobicContact CB-CB 4.36Å; A824-W829 PolarHBondContact O-NE1 3.05Å
825Q77.1Confident63.5Low143 Ų143119.2 Ų119.267%0.66858%0.582SS**PPolyproline II helixtrans-52.6142.5171.4-68.9177.1-800110.1N827 N828 W829Q825-N827 PolarHBondContact O-N 3.27Å; Q825-N827 VanDerWaalsContact O-N 3.09Å; Q825-N828 WeakPolarHBondContact O-CB 3.29Å; Q825-N828 PolarHBondContact O-N 2.86Å; Q825-W829 VanDerWaalsContact O-CD1 3.29Å
826F80.3Confident66.2Low110 Ų110112.2 Ų112.248%0.48255%0.55SS.*G310 helixtrans-50.9-39.4-175.2179.7-102000113N828 W829 A842 L846F826-N828 PolarHBondContact O-N 3.41Å; F826-N828 VanDerWaalsContact O-N 3.07Å; F826-W829 HydrophobicContact CD2-CD2 4.06Å; F826-W829 AromaticContact CD2-CE3 3.99Å; F826-W829 HydrophobicContact CD2-CE3 3.99Å; F826-W829 HydrophobicContact CD2-CG 4.45Å; F826-W829 HydrophobicContact CD2-CZ3 4.4Å; F826-W829 HydrophobicContact CE2-CE3 4.18Å; F826-W829 VanDerWaalsContact O-CB 3.23Å; F826-W829 WeakPolarHBondContact O-CB 3.19Å; F826-W829 PolarHBondContact O-N 2.86Å; F826-A842 HydrophobicContact CD1-CB 4.35Å; F826-A842 HydrophobicContact CE1-CB 4Å; F826-A842 HydrophobicContact CZ-CB 4.23Å; F826-A842 WeakPolarHBondContact O-CB 3.4Å; F826-L846 HydrophobicContact CE1-CD1 3.85Å
827N82.6Confident68.9Low88 Ų88114.2 Ų114.247%0.47155%0.546SS..G310 helixtrans-56.7-27.9177.3-70.7-15000114.2Q825 A842 G843Q825-N827 PolarHBondContact O-N 3.27Å; Q825-N827 VanDerWaalsContact O-N 3.09Å; N827-A842 PolarHBondContact O-N 3.38Å; N827-G843 PolarHBondContact O-N 3.23Å; N827-G843 VanDerWaalsContact O-N 3.16Å
828N82.1Confident71.6Confident36 Ų36109.9 Ų109.919%0.19352%0.521CS..G310 helixtrans-87-6178.5-65.2-42.1000113.3V802 A824 Q825 F826V802-N828 WeakPolarHBondContact CB-OD1 3.42Å; V802-N828 PolarHBondContact N-OD1 2.79Å; A824-N828 HydrophobicContact CB-CB 4.36Å; Q825-N828 WeakPolarHBondContact O-CB 3.29Å; Q825-N828 PolarHBondContact O-N 2.86Å; F826-N828 PolarHBondContact O-N 3.41Å; F826-N828 VanDerWaalsContact O-N 3.07Å
829W85.8Confident74.2Confident126 Ų126105.2 Ų105.248%0.47749%0.494SS..SBendtrans-68.7145.4177.8-69.924.1000109.6A824 Q825 F826 H841 A842A824-W829 PolarHBondContact O-NE1 3.05Å; Q825-W829 VanDerWaalsContact O-CD1 3.29Å; F826-W829 HydrophobicContact CD2-CD2 4.06Å; F826-W829 AromaticContact CD2-CE3 3.99Å; F826-W829 HydrophobicContact CD2-CE3 3.99Å; F826-W829 HydrophobicContact CD2-CG 4.45Å; F826-W829 HydrophobicContact CD2-CZ3 4.4Å; F826-W829 HydrophobicContact CE2-CE3 4.18Å; F826-W829 VanDerWaalsContact O-CB 3.23Å; F826-W829 WeakPolarHBondContact O-CB 3.19Å; F826-W829 PolarHBondContact O-N 2.86Å; W829-H841 CarbonylContact O-C 3.55Å; W829-H841 VanDerWaalsContact O-CA 3.27Å; W829-H841 WeakPolarHBondContact O-CA 3.27Å; W829-A842 HydrophobicContact CB-CB 4.4Å; W829-A842 PolarHBondContact O-N 3.39Å
830F86.2Confident76.7Confident33 Ų3394.3 Ų94.315%0.14545%0.453CS..EExtended strand (participates in β ladder)trans-93.3124.8176.1-151.8-83.5000108.9P789 C791 M798 W832 G840P789-F830 HydrophobicContact CB-CE1 4.2Å; P789-F830 HydrophobicContact CB-CZ 4.14Å; C791-F830 HydrophobicContact CB-CE2 4.16Å; M798-F830 HydrophobicContact CB-CD2 3.69Å; M798-F830 HydrophobicContact CB-CE2 3.95Å; M798-F830 HydrophobicContact CB-CG 4.08Å; M798-F830 HydrophobicContact CG-CB 3.81Å; M798-F830 HydrophobicContact CG-CD2 3.88Å; M798-F830 HydrophobicContact CG-CG 3.84Å; M798-F830 HydrophobicContact SD-CB 3.91Å; M798-F830 HydrophobicContact SD-CD1 4.23Å; M798-F830 HydrophobicContact SD-CG 4Å; F830-W832 HydrophobicContact CD1-CE3 4.24Å; F830-G840 WeakPolarHBondContact CA-O 3.38Å
831T86.8Confident79.3Confident48 Ų4886.4 Ų86.429%0.29442%0.416SS..EExtended strand (participates in β ladder)trans-121.4150.6-178.456.80000109G839 G840 A842T831-G839 CarbonylContact O-C 3.58Å; T831-G839 WeakPolarHBondContact O-CA 3.25Å; T831-G840 PolarHBondContact N-O 3.49Å; T831-G840 PolarHBondContact O-N 3.45Å; T831-G840 PolarHBondContact OG1-O 3.18Å; T831-A842 HydrophobicContact CG2-CB 3.75Å
832W88.3Confident81.7Confident125 Ų12579.6 Ų79.647%0.47338%0.38SS..EExtended strand (participates in β ladder)trans-150.4153.4178.862.388.5000111.2F830 H838F830-W832 HydrophobicContact CD1-CE3 4.24Å; W832-H838 VanDerWaalsContact CA-O 3.32Å; W832-H838 WeakPolarHBondContact CA-O 3.04Å; W832-H838 WeakPolarHBondContact CB-O 3.4Å
833C86.8Confident83.5Confident17 Ų1772.9 Ų72.912%0.11536%0.356CS..  trans-79132.8173.4174.40000110.1N835 C836 R837 H838 C864C833-N835 VanDerWaalsContact C-N 3.26Å; C833-N835 PolarHBondContact O-N 3.41Å; C833-N835 PolarHBondContact SG-N 2.87Å; C833-N835 VanDerWaalsContact SG-N 3.42Å; C833-C836 VanDerWaalsContact CB-SG 3.54Å; C833-R837 WeakPolarHBondContact O-CA 3.47Å; C833-R837 PolarHBondContact O-N 2.78Å; C833-H838 PolarHBondContact N-O 3.01Å; C833-C864 HydrophobicContact CB-CB 3.96Å
834H82.5Confident85.1Confident155 Ų15567.9 Ų67.972%0.71833%0.329SS*.THydrogen-bonded Turntrans-67-26.3177.8-81.4-84.3000113.3
835N84.7Confident86.4Confident115 Ų11565.7 Ų65.762%0.61531%0.308SS*.THydrogen-bonded Turntrans-80.4-59.6-179-70.536.3000111.8C833 L867C833-N835 VanDerWaalsContact C-N 3.26Å; C833-N835 PolarHBondContact O-N 3.41Å; C833-N835 PolarHBondContact SG-N 2.87Å; C833-N835 VanDerWaalsContact SG-N 3.42Å; N835-L867 HydrophobicContact CB-CD1 4.15Å
836C87.6Confident86.9Confident26 Ų2663.5 Ų63.518%0.17630%0.301CS..THydrogen-bonded Turntrans-87.7-11.3-176.770.30000113.9C833 H838 C862C833-C836 VanDerWaalsContact CB-SG 3.54Å; C836-H838 PolarHBondContact O-N 3Å; C836-C862 HydrophobicContact CB-CB 3.78Å
837R86.2Confident87.3Confident199 Ų19962 Ų6275%0.75130%0.304SS*.  trans607.2-177-53.9-177.2177.9-174.3-1115C833C833-R837 WeakPolarHBondContact O-CA 3.47Å; C833-R837 PolarHBondContact O-N 2.78Å
838H88.6Confident87.7Confident70 Ų7061.3 Ų61.332%0.32430%0.295SS..  trans-82153.8170.9-59.1142.6000110.7W832 C833 C836 V857 C860W832-H838 VanDerWaalsContact CA-O 3.32Å; W832-H838 WeakPolarHBondContact CA-O 3.04Å; W832-H838 WeakPolarHBondContact CB-O 3.4Å; C833-H838 PolarHBondContact N-O 3.01Å; C836-H838 PolarHBondContact O-N 3Å; H838-V857 HydrophobicContact CB-CG2 3.76Å; H838-C860 PolarHBondContact ND1-SG 3.43Å
839G89.8Confident88.1Confident7 Ų761.1 Ų61.17%0.07229%0.292CS..EExtended strand (participates in β ladder)trans-179.7-169-173.600000113.4A792 T831A792-G839 PolarHBondContact N-O 3.2Å; T831-G839 CarbonylContact O-C 3.58Å; T831-G839 WeakPolarHBondContact O-CA 3.25Å
840G91.3Very high88.1Confident0 Ų065.3 Ų65.30%031%0.308CS..EExtended strand (participates in β ladder)trans172.9-165.8-179.800000113.1F830 T831 A842F830-G840 WeakPolarHBondContact CA-O 3.38Å; T831-G840 PolarHBondContact N-O 3.49Å; T831-G840 PolarHBondContact O-N 3.45Å; T831-G840 PolarHBondContact OG1-O 3.18Å; G840-A842 PolarHBondContact O-N 3.33Å
841H89.8Confident88.3Confident2 Ų269.6 Ų69.61%0.00933%0.333CS..EExtended strand (participates in β ladder)trans-58.4131.2174.8-60.2121.3000110.2C794 T800 V802 W829 G843 H844 M845C794-H841 PolarHBondContact SG-ND1 3.02Å; T800-H841 PolarHBondContact O-CE1 3.46Å; T800-H841 PolarHBondContact O-NE2 3.43Å; V802-H841 HydrophobicContact CG2-CB 3.68Å; W829-H841 CarbonylContact O-C 3.55Å; W829-H841 VanDerWaalsContact O-CA 3.27Å; W829-H841 WeakPolarHBondContact O-CA 3.27Å; H841-G843 PolarHBondContact O-N 3.38Å; H841-H844 HydrophobicContact CB-CB 4.47Å; H841-H844 AromaticContact ND1-ND1 3.84Å; H841-H844 PolarHBondContact O-N 3.36Å; H841-M845 WeakPolarHBondContact O-CG 3.23Å; H841-M845 PolarHBondContact O-N 3.49Å
842A89.3Confident88.4Confident2 Ų271.3 Ų71.32%0.01734%0.337CS..Hα-helixtrans-53.5-41.6-175.100000111.2F826 N827 W829 T831 G840 H844 M845 L846F826-A842 HydrophobicContact CD1-CB 4.35Å; F826-A842 HydrophobicContact CE1-CB 4Å; F826-A842 HydrophobicContact CZ-CB 4.23Å; F826-A842 WeakPolarHBondContact O-CB 3.4Å; N827-A842 PolarHBondContact O-N 3.38Å; W829-A842 HydrophobicContact CB-CB 4.4Å; W829-A842 PolarHBondContact O-N 3.39Å; T831-A842 HydrophobicContact CG2-CB 3.75Å; G840-A842 PolarHBondContact O-N 3.33Å; A842-H844 PolarHBondContact O-N 3.1Å; A842-M845 PolarHBondContact O-N 3.45Å; A842-L846 WeakPolarHBondContact O-CB 3.15Å; A842-L846 VanDerWaalsContact O-CG 3.3Å; A842-L846 WeakPolarHBondContact O-CG 3.43Å; A842-L846 PolarHBondContact O-N 3.12Å
843G87.4Confident88.4Confident20 Ų2069.8 Ų69.821%0.20634%0.342CS..Hα-helixtrans-61.5-41.9176.900000113.2N827 H841 S847N827-G843 PolarHBondContact O-N 3.23Å; N827-G843 VanDerWaalsContact O-N 3.16Å; H841-G843 PolarHBondContact O-N 3.38Å; G843-S847 WeakPolarHBondContact O-CB 3.19Å; G843-S847 PolarHBondContact O-N 2.93Å
844H90.6Very high88.6Confident43 Ų4373.5 Ų73.520%0.19936%0.357CS..Hα-helixtrans-70.2-40.3176.4-66.7158.6000112.1L793 C794 H841 A842 S847 W848L793-H844 HydrophobicContact CB-CB 4.23Å; L793-H844 HydrophobicContact CD1-CB 3.82Å; L793-H844 VanDerWaalsContact CD1-O 3.23Å; L793-H844 WeakPolarHBondContact CD1-O 3.36Å; C794-H844 VanDerWaalsContact CB-CE1 3.43Å; C794-H844 WeakPolarHBondContact CB-CE1 3.48Å; C794-H844 VanDerWaalsContact SG-CE1 3.55Å; H841-H844 HydrophobicContact CB-CB 4.47Å; H841-H844 AromaticContact ND1-ND1 3.84Å; H841-H844 PolarHBondContact O-N 3.36Å; A842-H844 PolarHBondContact O-N 3.1Å; H844-S847 PolarHBondContact O-N 3.43Å; H844-W848 WeakPolarHBondContact O-CB 3.39Å; H844-W848 PolarHBondContact O-N 3.05Å
845M90.1Very high89Confident14 Ų1466.6 Ų66.67%0.06933%0.326CS..Hα-helixtrans-64-46.4177.4-62.1-63.690.400111A792 L793 H841 A842 S847 W848 F849 P856A792-M845 HydrophobicContact CB-CE 4.41Å; L793-M845 HydrophobicContact CB-CE 4.44Å; L793-M845 HydrophobicContact CD1-CE 3.44Å; L793-M845 VanDerWaalsContact CD1-CE 3.44Å; L793-M845 HydrophobicContact CG-CE 3.76Å; H841-M845 WeakPolarHBondContact O-CG 3.23Å; H841-M845 PolarHBondContact O-N 3.49Å; A842-M845 PolarHBondContact O-N 3.45Å; M845-S847 PolarHBondContact O-N 2.65Å; M845-W848 PolarHBondContact O-N 3.09Å; M845-F849 HydrophobicContact CB-CD2 4.46Å; M845-F849 HydrophobicContact CB-CE2 4.47Å; M845-F849 WeakPolarHBondContact O-CD2 3.39Å; M845-F849 PolarHBondContact O-N 3.01Å; M845-P856 HydrophobicContact CE-CG 3.98Å; M845-P856 HydrophobicContact SD-CG 4.2Å
846L87.6Confident89.4Confident98 Ų9862.1 Ų62.151%0.51330%0.303SS..Hα-helixtrans-61.3-43.5176-73.8172.8000112.1F826 A842 W848 R850F826-L846 HydrophobicContact CE1-CD1 3.85Å; A842-L846 WeakPolarHBondContact O-CB 3.15Å; A842-L846 VanDerWaalsContact O-CG 3.3Å; A842-L846 WeakPolarHBondContact O-CG 3.43Å; A842-L846 PolarHBondContact O-N 3.12Å; L846-W848 VanDerWaalsContact C-N 3.33Å; L846-W848 PolarHBondContact O-N 2.91Å; L846-R850 PolarHBondContact O-N 3.14Å; L846-R850 VanDerWaalsContact O-N 3.14Å
847S88.7Confident89.5Confident78 Ų7862.9 Ų62.955%0.54531%0.307SS..Hα-helixtrans-62.3-40.2176.3-174.20000112.2G843 H844 M845 R850G843-S847 WeakPolarHBondContact O-CB 3.19Å; G843-S847 PolarHBondContact O-N 2.93Å; H844-S847 PolarHBondContact O-N 3.43Å; M845-S847 PolarHBondContact O-N 2.65Å; S847-R850 WeakPolarHBondContact O-CB 3.15Å
848W91.1Very high89.5Confident73 Ų7358.9 Ų58.928%0.27731%0.31SS..Hα-helixtrans-67.8-48179.1175.6-91.3000112.2L793 H844 M845 L846 R850 D851 H852 E854 P856L793-W848 HydrophobicContact CD1-CB 3.61Å; L793-W848 HydrophobicContact CD1-CD2 4.43Å; L793-W848 HydrophobicContact CD1-CE3 4.35Å; L793-W848 HydrophobicContact CD1-CG 4.15Å; L793-W848 HydrophobicContact CD2-CD2 4.07Å; L793-W848 HydrophobicContact CD2-CE3 3.57Å; L793-W848 HydrophobicContact CD2-CZ3 3.98Å; H844-W848 WeakPolarHBondContact O-CB 3.39Å; H844-W848 PolarHBondContact O-N 3.05Å; M845-W848 PolarHBondContact O-N 3.09Å; L846-W848 VanDerWaalsContact C-N 3.33Å; L846-W848 PolarHBondContact O-N 2.91Å; W848-R850 PolarHBondContact O-N 2.76Å; W848-D851 PolarHBondContact O-N 3.37Å; W848-D851 VanDerWaalsContact O-N 3.15Å; W848-H852 HydrophobicContact CD2-CB 4.34Å; W848-H852 AromaticContact CD2-ND1 3.74Å; W848-H852 AromaticContact CE2-CG 3.66Å; W848-H852 AromaticContact CE2-ND1 3.9Å; W848-H852 AromaticContact CE3-CE1 3.99Å; W848-H852 AromaticContact CE3-ND1 3.91Å; W848-H852 HydrophobicContact CG-CB 4.45Å; W848-H852 AromaticContact CH2-CD2 3.99Å; W848-H852 AromaticContact CH2-NE2 3.94Å; W848-H852 HydrophobicContact CZ2-CB 4.21Å; W848-H852 AromaticContact CZ2-CD2 3.79Å; W848-H852 AromaticContact CZ2-CG 3.82Å; W848-H852 AromaticContact CZ3-CE1 3.97Å; W848-H852 AromaticContact NE1-CG 3.95Å; W848-H852 WeakPolarHBondContact O-CB 3.43Å; W848-H852 PolarHBondContact O-N 2.71Å; W848-H852 PolarHBondContact O-ND1 2.93Å; W848-E854 PolarHBondContact NE1-O 2.8Å; W848-P856 HydrophobicContact CD2-CB 3.83Å; W848-P856 HydrophobicContact CE3-CB 4.44Å; W848-P856 HydrophobicContact CG-CB 4.07Å; W848-P856 HydrophobicContact CG-CG 4.5Å; W848-P856 HydrophobicContact CZ2-CB 4.04Å
849F90.1Very high89.4Confident33 Ų3361.2 Ų61.215%0.14534%0.341CS..Hα-helixtrans-72.5-9-178.4-70.9-63.7000114.1M845 D851 H852 E854 C864 M865M845-F849 HydrophobicContact CB-CD2 4.46Å; M845-F849 HydrophobicContact CB-CE2 4.47Å; M845-F849 WeakPolarHBondContact O-CD2 3.39Å; M845-F849 PolarHBondContact O-N 3.01Å; F849-D851 VanDerWaalsContact C-N 3.27Å; F849-H852 WeakPolarHBondContact CA-O 3.39Å; F849-H852 WeakPolarHBondContact CD1-O 3.23Å; F849-E854 WeakPolarHBondContact CE1-O 3.39Å; F849-C864 HydrophobicContact CE1-CB 4.15Å; F849-C864 HydrophobicContact CE2-CB 4.28Å; F849-C864 HydrophobicContact CZ-CB 3.6Å; F849-M865 HydrophobicContact CB-CG 3.89Å; F849-M865 HydrophobicContact CB-SD 3.5Å; F849-M865 WeakPolarHBondContact CB-SD 3.31Å; F849-M865 HydrophobicContact CD1-CB 4.42Å; F849-M865 HydrophobicContact CD1-CG 4.2Å; F849-M865 HydrophobicContact CD2-CG 4.03Å; F849-M865 HydrophobicContact CG-CB 4.49Å; F849-M865 HydrophobicContact CG-CG 3.79Å; F849-M865 HydrophobicContact CG-SD 4.1Å
850R87.6Confident89.3Confident213 Ų21362 Ų6280%0.80435%0.345SS*.Hα-helixtrans-62.1-38.5167.6-169.4178.1-175.8168.91.4111.8L846 S847 W848L846-R850 PolarHBondContact O-N 3.14Å; L846-R850 VanDerWaalsContact O-N 3.14Å; S847-R850 WeakPolarHBondContact O-CB 3.15Å; W848-R850 PolarHBondContact O-N 2.76Å
851D89.2Confident89.3Confident124 Ų12465.7 Ų65.766%0.66338%0.376SS*.Hα-helixtrans-112.2-10.6-172.9-55.6-34.9000112.8W848 F849W848-D851 PolarHBondContact O-N 3.37Å; W848-D851 VanDerWaalsContact O-N 3.15Å; F849-D851 VanDerWaalsContact C-N 3.27Å
852H88.4Confident89.3Confident84 Ų8466.6 Ų66.639%0.38938%0.382SS..  trans-132.7142.4-174-54.781.1000112.2W848 F849W848-H852 HydrophobicContact CD2-CB 4.34Å; W848-H852 AromaticContact CD2-ND1 3.74Å; W848-H852 AromaticContact CE2-CG 3.66Å; W848-H852 AromaticContact CE2-ND1 3.9Å; W848-H852 AromaticContact CE3-CE1 3.99Å; W848-H852 AromaticContact CE3-ND1 3.91Å; W848-H852 HydrophobicContact CG-CB 4.45Å; W848-H852 AromaticContact CH2-CD2 3.99Å; W848-H852 AromaticContact CH2-NE2 3.94Å; W848-H852 HydrophobicContact CZ2-CB 4.21Å; W848-H852 AromaticContact CZ2-CD2 3.79Å; W848-H852 AromaticContact CZ2-CG 3.82Å; W848-H852 AromaticContact CZ3-CE1 3.97Å; W848-H852 AromaticContact NE1-CG 3.95Å; W848-H852 WeakPolarHBondContact O-CB 3.43Å; W848-H852 PolarHBondContact O-N 2.71Å; W848-H852 PolarHBondContact O-ND1 2.93Å; F849-H852 WeakPolarHBondContact CA-O 3.39Å; F849-H852 WeakPolarHBondContact CD1-O 3.23Å
853T88.1Confident89.2Confident93 Ų9371.1 Ų71.157%0.57140%0.402SS*.SBendtrans-96.4-10.1179.154.50000114.2
854E91.1Very high89.1Confident95 Ų9571.1 Ų71.144%0.44440%0.398SS..SBendtrans-116.9158.9-174.4-63.8-172.4175.800112.2W848 F849W848-E854 PolarHBondContact NE1-O 2.8Å; F849-E854 WeakPolarHBondContact CE1-O 3.39Å
855C91.9Very high88.6Confident10 Ų1073.4 Ų73.47%0.06841%0.41CS..  trans-57.4136.3-178.8179.60000112V857 C860 C862C855-V857 PolarHBondContact O-N 2.89Å; C855-C860 HydrophobicContact CB-CB 4.06Å; C855-C862 HydrophobicContact CB-CB 4.23Å; C855-C862 WeakPolarHBondContact CB-O 3.23Å; C855-C862 PolarHBondContact N-O 3.17Å
856P92.7Very high88Confident20 Ų2078.3 Ų78.313%0.1343%0.433CS..SBendtrans-67.4-4.3-17925.6-35.1000115.2A792 L793 M845 W848A792-P856 HydrophobicContact CB-CB 4.23Å; A792-P856 HydrophobicContact CB-CG 3.76Å; L793-P856 HydrophobicContact CD1-CB 4.49Å; L793-P856 HydrophobicContact CD2-CB 3.63Å; L793-P856 HydrophobicContact CG-CB 4.02Å; L793-P856 HydrophobicContact CG-CG 4.45Å; M845-P856 HydrophobicContact CE-CG 3.98Å; M845-P856 HydrophobicContact SD-CG 4.2Å; W848-P856 HydrophobicContact CD2-CB 3.83Å; W848-P856 HydrophobicContact CE3-CB 4.44Å; W848-P856 HydrophobicContact CG-CB 4.07Å; W848-P856 HydrophobicContact CG-CG 4.5Å; W848-P856 HydrophobicContact CZ2-CB 4.04Å
857V90.6Very high87.3Confident43 Ų4377.8 Ų77.826%0.26143%0.43SS..SBendtrans-89.3122.7179.5177.60000109.4A792 H838 C855 A859 C860A792-V857 HydrophobicContact CB-CG2 3.64Å; H838-V857 HydrophobicContact CB-CG2 3.76Å; C855-V857 PolarHBondContact O-N 2.89Å; V857-A859 PolarHBondContact O-N 2.97Å; V857-C860 HydrophobicContact CB-CB 4.23Å; V857-C860 VanDerWaalsContact O-CB 3.25Å; V857-C860 WeakPolarHBondContact O-CB 3.42Å; V857-C860 PolarHBondContact O-N 3.4Å
858S84.9Confident86.1Confident114 Ų11477.6 Ų77.680%0.79742%0.423SS*.THydrogen-bonded Turntrans-51.2136.5176.9-520000111.7C860S858-C860 VanDerWaalsContact C-N 3.27Å; S858-C860 PolarHBondContact O-N 3.13Å
859A86.2Confident84.5Confident119 Ų11979.9 Ų79.998%0.98345%0.445SS*.THydrogen-bonded Turntrans6812.4-17500000116.1V857V857-A859 PolarHBondContact O-N 2.97Å
860C89.3Confident82.8Confident23 Ų2383 Ų8316%0.15547%0.467CS..  trans-106.9105.6170.7-170.50000111.6H838 C855 V857 S858 C862H838-C860 PolarHBondContact ND1-SG 3.43Å; C855-C860 HydrophobicContact CB-CB 4.06Å; V857-C860 HydrophobicContact CB-CB 4.23Å; V857-C860 VanDerWaalsContact O-CB 3.25Å; V857-C860 WeakPolarHBondContact O-CB 3.42Å; V857-C860 PolarHBondContact O-N 3.4Å; S858-C860 VanDerWaalsContact C-N 3.27Å; S858-C860 PolarHBondContact O-N 3.13Å; C860-C862 PolarHBondContact O-N 2.99Å; C860-C862 VanDerWaalsContact SG-CB 3.57Å
861A90.8Very high81Confident78 Ų7875 Ų7565%0.64545%0.451SS*.  trans-82.822.2177.100000113.9K863A861-K863 PolarHBondContact O-N 2.91Å
862C88.8Confident79Confident22 Ų2274.7 Ų74.715%0.14945%0.449CS..  trans-76.3126.6-176.1-171.90000111C836 C855 C860 C864C836-C862 HydrophobicContact CB-CB 3.78Å; C855-C862 HydrophobicContact CB-CB 4.23Å; C855-C862 WeakPolarHBondContact CB-O 3.23Å; C855-C862 PolarHBondContact N-O 3.17Å; C860-C862 PolarHBondContact O-N 2.99Å; C860-C862 VanDerWaalsContact SG-CB 3.57Å; C862-C864 VanDerWaalsContact C-N 3.29Å; C862-C864 PolarHBondContact O-N 3.27Å; C862-C864 VanDerWaalsContact O-N 3.11Å
863K88.7Confident76.8Confident97 Ų9776.7 Ų76.742%0.42246%0.462SS..  trans-85.766.3174.3-59.4-170-176.3-178.30111.2A861 M865 Q866 L867A861-K863 PolarHBondContact O-N 2.91Å; K863-M865 VanDerWaalsContact C-N 3.29Å; K863-M865 PolarHBondContact O-N 3Å; K863-M865 VanDerWaalsContact O-N 3.15Å; K863-Q866 HydrophobicContact CB-CB 4.24Å; K863-Q866 HydrophobicContact CB-CG 4.38Å; K863-Q866 PolarHBondContact O-N 2.89Å; K863-L867 PolarHBondContact O-N 2.73Å
864C85.4Confident74.4Confident19 Ų1978.5 Ų78.513%0.12847%0.473CS..THydrogen-bonded Turntrans-51.6-42.1-167.7-600000114.2C833 F849 C862 L867C833-C864 HydrophobicContact CB-CB 3.96Å; F849-C864 HydrophobicContact CE1-CB 4.15Å; F849-C864 HydrophobicContact CE2-CB 4.28Å; F849-C864 HydrophobicContact CZ-CB 3.6Å; C862-C864 VanDerWaalsContact C-N 3.29Å; C862-C864 PolarHBondContact O-N 3.27Å; C862-C864 VanDerWaalsContact O-N 3.11Å; C864-L867 PolarHBondContact O-N 2.8Å
865M79.4Confident71.7Confident91 Ų9179.4 Ų79.445%0.44849%0.487SS..THydrogen-bonded Turntrans-71.1-31.6-179.3-98.3-152.762.800114.2F849 K863 L867 D868F849-M865 HydrophobicContact CB-CG 3.89Å; F849-M865 HydrophobicContact CB-SD 3.5Å; F849-M865 WeakPolarHBondContact CB-SD 3.31Å; F849-M865 HydrophobicContact CD1-CB 4.42Å; F849-M865 HydrophobicContact CD1-CG 4.2Å; F849-M865 HydrophobicContact CD2-CG 4.03Å; F849-M865 HydrophobicContact CG-CB 4.49Å; F849-M865 HydrophobicContact CG-CG 3.79Å; F849-M865 HydrophobicContact CG-SD 4.1Å; K863-M865 VanDerWaalsContact C-N 3.29Å; K863-M865 PolarHBondContact O-N 3Å; K863-M865 VanDerWaalsContact O-N 3.15Å; M865-L867 PolarHBondContact O-N 2.8Å; M865-D868 PolarHBondContact O-N 3.15Å
866Q77.6Confident69.2Low118 Ų11883 Ų8355%0.55152%0.517SS*.THydrogen-bonded Turntrans-73.9-20.1179.6-66-176.4-10.700112.5K863 D868K863-Q866 HydrophobicContact CB-CB 4.24Å; K863-Q866 HydrophobicContact CB-CG 4.38Å; K863-Q866 PolarHBondContact O-N 2.89Å; Q866-D868 VanDerWaalsContact C-N 3.33Å
867L71.9Confident66.4Low87 Ų8788.6 Ų88.646%0.45555%0.546SS..THydrogen-bonded Turntrans-84.3-10.1177.8-62.9169.9000112.6N835 K863 C864 M865 T869N835-L867 HydrophobicContact CB-CD1 4.15Å; K863-L867 PolarHBondContact O-N 2.73Å; C864-L867 PolarHBondContact O-N 2.8Å; M865-L867 PolarHBondContact O-N 2.8Å; L867-T869 PolarHBondContact O-N 2.88Å
868D64.8Low63.5Low73 Ų7392.7 Ų92.739%0.3958%0.577SS.*  trans-82.392.8174.7-171.1-11.5000109.7M865 Q866 T870 G871M865-D868 PolarHBondContact O-N 3.15Å; Q866-D868 VanDerWaalsContact C-N 3.33Å; D868-T870 PolarHBondContact O-N 2.81Å; D868-T870 WeakPolarHBondContact OD1-CB 3.17Å; D868-T870 PolarHBondContact OD1-N 3.06Å; D868-T870 PolarHBondContact OD1-OG1 2.99Å; D868-G871 PolarHBondContact O-N 3.41Å; D868-G871 PolarHBondContact OD1-N 2.79Å
869T56.2Low60.9Low121 Ų12195.4 Ų95.474%0.74260%0.595SS**THydrogen-bonded Turntrans-59.9-22.9176.839.90000113.4L867L867-T869 PolarHBondContact O-N 2.88Å
870T54.5Low59.6Low99 Ų9994.2 Ų94.261%0.60758%0.576SS**THydrogen-bonded Turntrans-86.2-29.6178.225.50000113.2D868 N872 L873D868-T870 PolarHBondContact O-N 2.81Å; D868-T870 WeakPolarHBondContact OD1-CB 3.17Å; D868-T870 PolarHBondContact OD1-N 3.06Å; D868-T870 PolarHBondContact OD1-OG1 2.99Å; T870-N872 VanDerWaalsContact C-N 3.27Å; T870-N872 PolarHBondContact O-N 3.37Å; T870-L873 PolarHBondContact O-N 3.13Å
871G51.2Low58Low46 Ų4697.9 Ų97.947%0.47460%0.598SS.*THydrogen-bonded Turntrans-69.4-18.8177.500000114.9D868D868-G871 PolarHBondContact O-N 3.41Å; D868-G871 PolarHBondContact OD1-N 2.79Å
872N45.6Very low56.2Low116 Ų11699.1 Ų99.162%0.6260%0.596SS**THydrogen-bonded Turntrans-86.4-6.6175.8-71-29.1000113.7T870 V874T870-N872 VanDerWaalsContact C-N 3.27Å; T870-N872 PolarHBondContact O-N 3.37Å; N872-V874 PolarHBondContact O-N 2.88Å
873L44.1Very low54.3Low127 Ų127103.6 Ų103.667%0.66562%0.622SS**SBendtrans-80.2101.6171.8-65.4169.1000107.4T870T870-L873 PolarHBondContact O-N 3.13Å
874V36.2Very low52.2Low131 Ų131104 Ų10479%0.79463%0.634SS**PPolyproline II helixtrans-51126.9165.6-179.90000107.1N872 A876N872-V874 PolarHBondContact O-N 2.88Å; V874-A876 PolarHBondContact O-N 3.35Å
875P35.4Very low49.9Very low113 Ų113109.7 Ų109.773%0.73467%0.668SS**PPolyproline II helixtrans-56.5117.6171.6-1929.8000107.8D877P875-D877 PolarHBondContact O-N 3.19Å
876A39.7Very low47.8Very low86 Ų86111 Ų11171%0.71168%0.684SS**SBendtrans-60.3120.416300000106.8V874V874-A876 PolarHBondContact O-N 3.35Å
877D32.8Very low45.5Very low138 Ų138110.5 Ų110.574%0.73869%0.694SS**  trans79.683.4161.6-45.8-27.1000117.5P875P875-D877 PolarHBondContact O-N 3.19Å
878S30Very low43.3Very low129 Ų129112.4 Ų112.490%0.90271%0.714SS**  -110.780.6129.4630000108.5
879S29.7Very low41.4Very low170 Ų170116 Ų116100%1.18974%0.743SS**  trans-130.90162.459.70000108.7

Retrieved 879 of 879 residues in 884.1 ms (Link to these results)

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