A0A096MUK9_PAPAN Loading...

Protein S100

AlphaFold DB (P29377), UniProt , Accession A0A096MUK9, Species PAPAN (Papio anubis, Olive baboon), Gene S100G, Length 79 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
1M37.8Very low74.9Confident229 Ų229102.3 Ų102.3100%1.12854%0.541SS*.  0118.30-63.3-150.2-175.800106.9T3M1-T3 PolarHBondContact O-N 3.35Å; M1-T3 PolarHBondContact O-OG1 2.84Å
2S50.4Low76.4Confident118 Ų118109.4 Ų109.483%0.82556%0.555SS**  trans-75.492.5176.6-530000107.4K4S2-K4 PolarHBondContact O-N 2.63Å
3T59Low77.6Confident96 Ų96102 Ų10259%0.58952%0.518SS*.  trans-70.878.7-173-430000110.2M1 K5M1-T3 PolarHBondContact O-N 3.35Å; M1-T3 PolarHBondContact O-OG1 2.84Å; T3-K5 HydrophobicContact CG2-CG 4.2Å; T3-K5 PolarHBondContact O-N 2.69Å
4K68.4Low78.6Confident160 Ų16095.1 Ų95.170%0.69648%0.482SS*.  trans-72.2102.3163.8-68.5-171177.2-1750106.5S2S2-K4 PolarHBondContact O-N 2.63Å
5K80.4Confident79.5Confident26 Ų2694.2 Ų94.211%0.11348%0.476CS..  trans-73.3137.6172.5-59-161.3-172.2-770109.1T3 E9 L10 I13 E39 F40T3-K5 HydrophobicContact CG2-CG 4.2Å; T3-K5 PolarHBondContact O-N 2.69Å; K5-E9 HydrophobicContact CD-CG 4.42Å; K5-E9 VanDerWaalsContact CD-OE1 3.24Å; K5-E9 WeakPolarHBondContact CD-OE1 3.49Å; K5-E9 VanDerWaalsContact CG-OE1 3.25Å; K5-E9 WeakPolarHBondContact CG-OE1 3.14Å; K5-E9 IonicContact NZ-OE1 3.77Å; K5-E9 PolarHBondContact NZ-OE1 3.44Å; K5-L10 HydrophobicContact CB-CD1 4.1Å; K5-L10 HydrophobicContact CB-CD2 4.1Å; K5-L10 HydrophobicContact CB-CG 3.78Å; K5-L10 HydrophobicContact CD-CD2 4.24Å; K5-L10 WeakPolarHBondContact O-CD1 3.48Å; K5-I13 HydrophobicContact CD-CD1 3.44Å; K5-I13 VanDerWaalsContact CD-CD1 3.44Å; K5-E39 WeakPolarHBondContact CE-OE2 3.31Å; K5-E39 IonicContact NZ-OE2 2.79Å; K5-E39 PolarHBondContact NZ-OE2 3.18Å; K5-F40 HydrophobicContact CD-CE1 3.97Å; K5-F40 HydrophobicContact CD-CE2 4.48Å; K5-F40 HydrophobicContact CD-CZ 3.56Å; K5-F40 HydrophobicContact CG-CE1 4.21Å; K5-F40 HydrophobicContact CG-CZ 4.19Å
6S85.3Confident80.4Confident67 Ų6796.6 Ų96.647%0.46948%0.482SS..  trans-71153.5173.6-64.30000110.8E8 E9 L10S6-E8 PolarHBondContact O-N 3.07Å; S6-E8 VanDerWaalsContact O-N 3.11Å; S6-E9 PolarHBondContact O-N 3.05Å; S6-L10 WeakPolarHBondContact O-CD1 3.49Å; S6-L10 WeakPolarHBondContact O-CG 3.34Å; S6-L10 PolarHBondContact O-N 3.05Å
7P84.2Confident81.1Confident89 Ų8992 Ų9258%0.57846%0.458SS*.Hα-helixtrans-52.2-33.9175.1-27.234.7000113.6K11P7-K11 WeakPolarHBondContact O-CB 3.03Å; P7-K11 PolarHBondContact O-N 3.25Å
8E88.6Confident81.8Confident154 Ų15486.9 Ų86.972%0.7243%0.433SS*.Hα-helixtrans-68.4-40.8176.1-60.9178.2116.100112.9S6 K11 R12S6-E8 PolarHBondContact O-N 3.07Å; S6-E8 VanDerWaalsContact O-N 3.11Å; E8-K11 PolarHBondContact O-N 3.38Å; E8-R12 WeakPolarHBondContact O-CG 3.44Å; E8-R12 PolarHBondContact O-N 3.23Å
9E89.5Confident82.2Confident88 Ų8886.1 Ų86.141%0.41144%0.441SS..Hα-helixtrans-68.7-40.2177-173.7175.3104.500110.3K5 S6 K11 R12 I13K5-E9 HydrophobicContact CD-CG 4.42Å; K5-E9 VanDerWaalsContact CD-OE1 3.24Å; K5-E9 WeakPolarHBondContact CD-OE1 3.49Å; K5-E9 VanDerWaalsContact CG-OE1 3.25Å; K5-E9 WeakPolarHBondContact CG-OE1 3.14Å; K5-E9 IonicContact NZ-OE1 3.77Å; K5-E9 PolarHBondContact NZ-OE1 3.44Å; S6-E9 PolarHBondContact O-N 3.05Å; E9-K11 VanDerWaalsContact C-N 3.35Å; E9-R12 PolarHBondContact O-N 3.49Å; E9-I13 HydrophobicContact CG-CD1 4.01Å; E9-I13 WeakPolarHBondContact O-CB 3.37Å; E9-I13 VanDerWaalsContact O-CG1 3.3Å; E9-I13 WeakPolarHBondContact O-CG1 3.38Å; E9-I13 PolarHBondContact O-N 3.13Å
10L89.6Confident82.3Confident2 Ų287.4 Ų87.41%0.0144%0.443CS..Hα-helixtrans-61.1-42.9174.8-75.2156.4000112.1K5 S6 I13 F14 F40 F70 V74K5-L10 HydrophobicContact CB-CD1 4.1Å; K5-L10 HydrophobicContact CB-CD2 4.1Å; K5-L10 HydrophobicContact CB-CG 3.78Å; K5-L10 HydrophobicContact CD-CD2 4.24Å; K5-L10 WeakPolarHBondContact O-CD1 3.48Å; S6-L10 WeakPolarHBondContact O-CD1 3.49Å; S6-L10 WeakPolarHBondContact O-CG 3.34Å; S6-L10 PolarHBondContact O-N 3.05Å; L10-I13 PolarHBondContact O-N 3.21Å; L10-F14 VanDerWaalsContact O-CB 3.28Å; L10-F14 WeakPolarHBondContact O-CB 3.17Å; L10-F14 PolarHBondContact O-N 2.8Å; L10-F40 HydrophobicContact CD2-CE2 4.03Å; L10-F40 HydrophobicContact CD2-CZ 3.52Å; L10-F70 HydrophobicContact CB-CE1 4.05Å; L10-F70 HydrophobicContact CD2-CE1 3.78Å; L10-F70 HydrophobicContact CD2-CZ 3.96Å; L10-V74 HydrophobicContact CB-CG2 4.43Å; L10-V74 HydrophobicContact CD1-CB 3.91Å; L10-V74 HydrophobicContact CD1-CG1 3.32Å; L10-V74 HydrophobicContact CD1-CG2 3.27Å; L10-V74 HydrophobicContact CD2-CG2 3.63Å; L10-V74 HydrophobicContact CG-CG2 3.94Å
11K91.1Very high82.2Confident96 Ų9689.4 Ų89.442%0.41745%0.451SS..Hα-helixtrans-61.1-46.9174-169.7178178.4-1710111.6P7 E8 E9 I13 F14 E15 F67P7-K11 WeakPolarHBondContact O-CB 3.03Å; P7-K11 PolarHBondContact O-N 3.25Å; E8-K11 PolarHBondContact O-N 3.38Å; E9-K11 VanDerWaalsContact C-N 3.35Å; K11-I13 VanDerWaalsContact C-N 3.31Å; K11-I13 PolarHBondContact O-N 3.17Å; K11-F14 WeakPolarHBondContact O-CB 3.5Å; K11-F14 PolarHBondContact O-N 3.35Å; K11-E15 WeakPolarHBondContact CE-OE1 3.43Å; K11-E15 HydrophobicContact CG-CG 4.4Å; K11-E15 IonicContact NZ-OE1 2.63Å; K11-E15 WeakPolarHBondContact O-CG 3.46Å; K11-E15 PolarHBondContact O-N 2.77Å; K11-F67 HydrophobicContact CB-CE2 3.64Å; K11-F67 HydrophobicContact CB-CZ 3.69Å; K11-F67 HydrophobicContact CD-CZ 4.3Å; K11-F67 HydrophobicContact CG-CD2 4.4Å; K11-F67 HydrophobicContact CG-CE2 3.86Å; K11-F67 HydrophobicContact CG-CZ 3.92Å
12R92.2Very high84.2Confident188 Ų18882.3 Ų82.371%0.70944%0.437SS*.Hα-helixtrans-61.7-39.8177.2-72.5-179.5-174.7-134.93.2112.7E8 E9 K16E8-R12 WeakPolarHBondContact O-CG 3.44Å; E8-R12 PolarHBondContact O-N 3.23Å; E9-R12 PolarHBondContact O-N 3.49Å; R12-K16 WeakPolarHBondContact O-CB 3.39Å; R12-K16 PolarHBondContact O-N 3.25Å
13I91.8Very high86Confident13 Ų1379.8 Ų79.87%0.06741%0.414CS..Hα-helixtrans-63.1-51.1174.9-75.9165.2000109.3K5 E9 L10 K11 E15 K16 Y17 L35 E39K5-I13 HydrophobicContact CD-CD1 3.44Å; K5-I13 VanDerWaalsContact CD-CD1 3.44Å; E9-I13 HydrophobicContact CG-CD1 4.01Å; E9-I13 WeakPolarHBondContact O-CB 3.37Å; E9-I13 VanDerWaalsContact O-CG1 3.3Å; E9-I13 WeakPolarHBondContact O-CG1 3.38Å; E9-I13 PolarHBondContact O-N 3.13Å; L10-I13 PolarHBondContact O-N 3.21Å; K11-I13 VanDerWaalsContact C-N 3.31Å; K11-I13 PolarHBondContact O-N 3.17Å; I13-E15 PolarHBondContact O-N 2.74Å; I13-K16 WeakPolarHBondContact O-CB 3.25Å; I13-K16 PolarHBondContact O-N 3Å; I13-Y17 HydrophobicContact CG2-CD2 3.85Å; I13-Y17 HydrophobicContact CG2-CE2 3.91Å; I13-Y17 WeakPolarHBondContact O-CD2 3.17Å; I13-Y17 PolarHBondContact O-N 3.29Å; I13-L35 HydrophobicContact CG2-CD1 3.75Å; I13-L35 HydrophobicContact CG2-CD2 4.11Å; I13-L35 HydrophobicContact CG2-CG 3.63Å; I13-E39 HydrophobicContact CD1-CG 4Å; I13-E39 WeakPolarHBondContact CD1-OE2 3.47Å; I13-E39 HydrophobicContact CG1-CG 4.32Å; I13-E39 HydrophobicContact CG2-CG 3.76Å
14F92.3Very high87.3Confident5 Ų578.5 Ų78.52%0.02241%0.407CS..Hα-helixtrans-52.5-57.4178.1178.6-84.6000111.2L10 K11 K16 Y17 A18 D25 L27 V65 F67 F70L10-F14 VanDerWaalsContact O-CB 3.28Å; L10-F14 WeakPolarHBondContact O-CB 3.17Å; L10-F14 PolarHBondContact O-N 2.8Å; K11-F14 WeakPolarHBondContact O-CB 3.5Å; K11-F14 PolarHBondContact O-N 3.35Å; F14-K16 VanDerWaalsContact C-N 3.26Å; F14-K16 PolarHBondContact O-N 3.04Å; F14-Y17 PolarHBondContact O-N 2.93Å; F14-A18 HydrophobicContact CD1-CB 4.41Å; F14-A18 HydrophobicContact CE1-CB 4.15Å; F14-A18 WeakPolarHBondContact O-CB 3.38Å; F14-A18 PolarHBondContact O-N 3.41Å; F14-D25 WeakPolarHBondContact CE1-O 3.42Å; F14-D25 VanDerWaalsContact CZ-O 3.3Å; F14-D25 WeakPolarHBondContact CZ-O 3.45Å; F14-L27 HydrophobicContact CD2-CD1 3.29Å; F14-L27 HydrophobicContact CD2-CG 3.75Å; F14-L27 HydrophobicContact CE2-CB 4.26Å; F14-L27 HydrophobicContact CE2-CD1 3.45Å; F14-L27 VanDerWaalsContact CE2-CD1 3.45Å; F14-L27 HydrophobicContact CE2-CG 3.53Å; F14-L27 HydrophobicContact CG-CD1 4.22Å; F14-L27 HydrophobicContact CG-CG 4.48Å; F14-L27 HydrophobicContact CZ-CD1 4.45Å; F14-L27 HydrophobicContact CZ-CG 4.08Å; F14-V65 VanDerWaalsContact CE2-O 3.31Å; F14-V65 WeakPolarHBondContact CE2-O 3.4Å; F14-V65 WeakPolarHBondContact CZ-O 3.45Å; F14-F67 HydrophobicContact CB-CD2 4.16Å; F14-F67 HydrophobicContact CD1-CB 4.36Å; F14-F67 HydrophobicContact CD1-CD2 4.11Å; F14-F67 HydrophobicContact CD2-CD2 4.22Å; F14-F67 HydrophobicContact CE1-CB 4.07Å; F14-F67 HydrophobicContact CE2-CB 4.38Å; F14-F67 AromaticContact CG-CD2 3.9Å; F14-F67 HydrophobicContact CG-CD2 3.9Å; F14-F67 HydrophobicContact CZ-CB 4.09Å; F14-F70 HydrophobicContact CB-CD1 4.15Å; F14-F70 HydrophobicContact CB-CE1 4.2Å; F14-F70 HydrophobicContact CD2-CB 3.76Å; F14-F70 AromaticContact CD2-CD1 3.81Å; F14-F70 HydrophobicContact CD2-CD1 3.81Å; F14-F70 HydrophobicContact CD2-CD2 4.33Å; F14-F70 AromaticContact CD2-CG 3.7Å; F14-F70 HydrophobicContact CD2-CG 3.7Å; F14-F70 HydrophobicContact CE2-CB 3.91Å; F14-F70 HydrophobicContact CE2-CG 4.33Å; F14-F70 HydrophobicContact CG-CD1 4.39Å
15E92.5Very high88.4Confident82 Ų8276.3 Ų76.338%0.38340%0.403SS..Hα-helixtrans-57.8-38.1179.5-69.3170.6151.100111.8K11 I13 Y17 A19K11-E15 WeakPolarHBondContact CE-OE1 3.43Å; K11-E15 HydrophobicContact CG-CG 4.4Å; K11-E15 IonicContact NZ-OE1 2.63Å; K11-E15 WeakPolarHBondContact O-CG 3.46Å; K11-E15 PolarHBondContact O-N 2.77Å; I13-E15 PolarHBondContact O-N 2.74Å; E15-Y17 VanDerWaalsContact C-N 3.32Å; E15-Y17 PolarHBondContact O-N 3.28Å; E15-A19 WeakPolarHBondContact O-CB 3.24Å; E15-A19 PolarHBondContact O-N 3.1Å
16K93Very high89Confident133 Ų13376.7 Ų76.758%0.57841%0.405SS*.Hα-helixtrans-65-34.7177.9176.5-176.8176.2-171.60112.9R12 I13 F14R12-K16 WeakPolarHBondContact O-CB 3.39Å; R12-K16 PolarHBondContact O-N 3.25Å; I13-K16 WeakPolarHBondContact O-CB 3.25Å; I13-K16 PolarHBondContact O-N 3Å; F14-K16 VanDerWaalsContact C-N 3.26Å; F14-K16 PolarHBondContact O-N 3.04Å
17Y93.2Very high89.4Confident18 Ų1873.5 Ų73.57%0.07138%0.383CS..Hα-helixtrans-88.5-36.8-179.9-74.9-79.6000112.2I13 F14 E15 K20 E31 L34 L35 A38 E39I13-Y17 HydrophobicContact CG2-CD2 3.85Å; I13-Y17 HydrophobicContact CG2-CE2 3.91Å; I13-Y17 WeakPolarHBondContact O-CD2 3.17Å; I13-Y17 PolarHBondContact O-N 3.29Å; F14-Y17 PolarHBondContact O-N 2.93Å; E15-Y17 VanDerWaalsContact C-N 3.32Å; E15-Y17 PolarHBondContact O-N 3.28Å; Y17-K20 HydrophobicContact CD1-CD 4.29Å; Y17-K20 VanDerWaalsContact O-CB 3.28Å; Y17-K20 WeakPolarHBondContact O-CB 3.23Å; Y17-K20 WeakPolarHBondContact O-CG 3.41Å; Y17-K20 PolarHBondContact O-N 3.19Å; Y17-E31 VanDerWaalsContact O-CD 3.31Å; Y17-E31 WeakPolarHBondContact O-CG 3.38Å; Y17-L34 HydrophobicContact CD1-CB 3.99Å; Y17-L34 HydrophobicContact CE1-CB 3.97Å; Y17-L35 HydrophobicContact CD1-CB 4.24Å; Y17-L35 HydrophobicContact CD2-CB 3.7Å; Y17-L35 HydrophobicContact CD2-CD1 3.96Å; Y17-L35 HydrophobicContact CD2-CG 3.67Å; Y17-L35 HydrophobicContact CE2-CB 4.17Å; Y17-L35 HydrophobicContact CE2-CG 4.12Å; Y17-L35 HydrophobicContact CG-CB 3.79Å; Y17-L35 HydrophobicContact CG-CD1 4.38Å; Y17-L35 HydrophobicContact CG-CG 4.22Å; Y17-A38 WeakPolarHBondContact OH-CB 3.37Å; Y17-E39 HydrophobicContact CE2-CG 4.19Å
18A92.7Very high89.9Confident0 Ų070.6 Ų70.60%036%0.364CS..Hα-helixtrans-69.6-31.7177.200000112.7F14 K20 P24 Q26 L27 E31F14-A18 HydrophobicContact CD1-CB 4.41Å; F14-A18 HydrophobicContact CE1-CB 4.15Å; F14-A18 WeakPolarHBondContact O-CB 3.38Å; F14-A18 PolarHBondContact O-N 3.41Å; A18-K20 PolarHBondContact O-N 3.17Å; A18-P24 VanDerWaalsContact CB-O 3.28Å; A18-P24 WeakPolarHBondContact CB-O 3.09Å; A18-Q26 VanDerWaalsContact CB-O 3.23Å; A18-Q26 WeakPolarHBondContact CB-O 3.4Å; A18-L27 HydrophobicContact CB-CD2 3.79Å; A18-L27 HydrophobicContact CB-CG 4.19Å; A18-L27 VanDerWaalsContact N-CD2 3.31Å; A18-E31 VanDerWaalsContact O-OE1 3.08Å
19A90.1Very high90Very high71 Ų7167.3 Ų67.359%0.58735%0.348SS*.THydrogen-bonded Turntrans-72.46.4174.400000113.8E15 P24E15-A19 WeakPolarHBondContact O-CB 3.24Å; E15-A19 PolarHBondContact O-N 3.1Å; A19-P24 HydrophobicContact CB-CB 4.44Å
20K84.9Confident90.2Very high113 Ų11367.9 Ų67.949%0.49135%0.354SS..SBendtrans-84.2-46.8-178.6-72.2-174.2171.8-166.60111.7Y17 A18 E31Y17-K20 HydrophobicContact CD1-CD 4.29Å; Y17-K20 VanDerWaalsContact O-CB 3.28Å; Y17-K20 WeakPolarHBondContact O-CB 3.23Å; Y17-K20 WeakPolarHBondContact O-CG 3.41Å; Y17-K20 PolarHBondContact O-N 3.19Å; A18-K20 PolarHBondContact O-N 3.17Å; K20-E31 HydrophobicContact CB-CG 4.46Å; K20-E31 PolarHBondContact N-OE1 3.07Å
21E79.3Confident90.3Very high130 Ų13067.9 Ų67.961%0.60735%0.354SS*.SBendtrans-146.8116.8-173.2-62.7-168.315800110.8E31E21-E31 WeakPolarHBondContact CA-OE1 3.44Å; E21-E31 PolarHBondContact N-OE1 3.45Å
22G80.1Confident90.4Very high80 Ų8063.3 Ų63.383%0.82533%0.334SS*.SBendtrans92.2-125.5174.500000113.5
23D87.2Confident90.4Very high65 Ų6558.6 Ų58.635%0.34832%0.318SS..  trans-87118.2-175.2-168.2-26.5000111D25 Q26D23-D25 PolarHBondContact O-N 3.47Å; D23-D25 WeakPolarHBondContact OD1-CB 3.43Å; D23-D25 PolarHBondContact OD1-N 2.87Å; D23-Q26 HydrophobicContact CB-CB 4.27Å; D23-Q26 PolarHBondContact O-N 2.77Å; D23-Q26 VanDerWaalsContact O-N 3.12Å
24P87.4Confident90.5Very high69 Ų6961.9 Ų61.945%0.44834%0.336SS..THydrogen-bonded Turntrans-63.2-13.8178.328.9-37.3000114.6A18 A19A18-P24 VanDerWaalsContact CB-O 3.28Å; A18-P24 WeakPolarHBondContact CB-O 3.09Å; A19-P24 HydrophobicContact CB-CB 4.44Å
25D90.9Very high90.5Very high113 Ų11361.6 Ų61.660%0.60434%0.335SS*.THydrogen-bonded Turntrans-99.1-2.4179.1-68.8-51.7000113.4F14 D23F14-D25 WeakPolarHBondContact CE1-O 3.42Å; F14-D25 VanDerWaalsContact CZ-O 3.3Å; F14-D25 WeakPolarHBondContact CZ-O 3.45Å; D23-D25 PolarHBondContact O-N 3.47Å; D23-D25 WeakPolarHBondContact OD1-CB 3.43Å; D23-D25 PolarHBondContact OD1-N 2.87Å
26Q93.3Very high90.4Very high35 Ų3557.7 Ų57.716%0.16432%0.316CS..EExtended strand (participates in β ladder)trans-134.8147.8178.2-57.1-165.2-32.500112.1A18 D23 D62 E64A18-Q26 VanDerWaalsContact CB-O 3.23Å; A18-Q26 WeakPolarHBondContact CB-O 3.4Å; D23-Q26 HydrophobicContact CB-CB 4.27Å; D23-Q26 PolarHBondContact O-N 2.77Å; D23-Q26 VanDerWaalsContact O-N 3.12Å; Q26-D62 PolarHBondContact NE2-OD2 3.14Å; Q26-E64 HydrophobicContact CB-CB 3.87Å; Q26-E64 PolarHBondContact OE1-OE2 3.29Å
27L94Very high90.3Very high0 Ų056.2 Ų56.20%031%0.311CS..EExtended strand (participates in β ladder)trans-99.9117.1174-73.6169.3000109.9F14 A18 E31 L32 L35 E64 V65 F70F14-L27 HydrophobicContact CD2-CD1 3.29Å; F14-L27 HydrophobicContact CD2-CG 3.75Å; F14-L27 HydrophobicContact CE2-CB 4.26Å; F14-L27 HydrophobicContact CE2-CD1 3.45Å; F14-L27 VanDerWaalsContact CE2-CD1 3.45Å; F14-L27 HydrophobicContact CE2-CG 3.53Å; F14-L27 HydrophobicContact CG-CD1 4.22Å; F14-L27 HydrophobicContact CG-CG 4.48Å; F14-L27 HydrophobicContact CZ-CD1 4.45Å; F14-L27 HydrophobicContact CZ-CG 4.08Å; A18-L27 HydrophobicContact CB-CD2 3.79Å; A18-L27 HydrophobicContact CB-CG 4.19Å; A18-L27 VanDerWaalsContact N-CD2 3.31Å; L27-E31 HydrophobicContact CD2-CB 3.65Å; L27-L32 HydrophobicContact CB-CB 4.41Å; L27-L32 HydrophobicContact CD1-CD1 4.09Å; L27-L35 HydrophobicContact CD1-CD1 3.52Å; L27-L35 HydrophobicContact CD2-CD1 4.43Å; L27-E64 CarbonylContact O-C 3.54Å; L27-V65 HydrophobicContact CB-CB 4.27Å; L27-V65 PolarHBondContact N-O 3.21Å; L27-V65 PolarHBondContact O-N 3.02Å; L27-F70 HydrophobicContact CD1-CD2 4.24Å
28S93.4Very high90.2Very high27 Ų2758.1 Ų58.119%0.18933%0.331CS..EExtended strand (participates in β ladder)trans-62.9163.5164.466.70000111D30 E31 L32S28-D30 PolarHBondContact O-N 2.85Å; S28-E31 WeakPolarHBondContact CB-OE2 3.24Å; S28-E31 PolarHBondContact N-OE2 3.21Å; S28-E31 PolarHBondContact O-N 2.78Å; S28-E31 VanDerWaalsContact O-N 3.14Å; S28-E31 VanDerWaalsContact OG-CD 3.32Å; S28-E31 VanDerWaalsContact OG-CG 3.26Å; S28-E31 WeakPolarHBondContact OG-CG 3.25Å; S28-E31 PolarHBondContact OG-N 2.9Å; S28-E31 PolarHBondContact OG-OE2 2.89Å; S28-L32 WeakPolarHBondContact O-CB 3.37Å; S28-L32 PolarHBondContact O-N 3.33Å
29K91.9Very high90.1Very high85 Ų8560.7 Ų60.737%0.3734%0.343SS..Hα-helixtrans-54.7-37.9177.3-173.1178-177.2177.20113.5K33 D51 F54K29-K33 WeakPolarHBondContact O-CB 3.15Å; K29-K33 PolarHBondContact O-N 2.72Å; K29-D51 WeakPolarHBondContact CE-OD2 3.45Å; K29-D51 IonicContact NZ-OD2 2.57Å; K29-D51 PolarHBondContact NZ-OD2 3.34Å; K29-F54 VanDerWaalsContact CA-CE2 3.46Å; K29-F54 HydrophobicContact CB-CD2 3.84Å; K29-F54 HydrophobicContact CB-CE2 3.75Å; K29-F54 HydrophobicContact CB-CG 4.32Å; K29-F54 HydrophobicContact CB-CZ 4.16Å; K29-F54 HydrophobicContact CG-CD1 4.44Å; K29-F54 HydrophobicContact CG-CD2 3.92Å; K29-F54 HydrophobicContact CG-CE2 4.33Å; K29-F54 HydrophobicContact CG-CG 4.02Å
30D92.7Very high90Very high101 Ų10158.1 Ų58.154%0.5432%0.318SS..Hα-helixtrans-75.5-35.3179.2-75.5-48.1000112.3S28 K33 L34S28-D30 PolarHBondContact O-N 2.85Å; D30-K33 VanDerWaalsContact O-CB 3.24Å; D30-K33 WeakPolarHBondContact O-CB 3.05Å; D30-K33 PolarHBondContact O-N 3.27Å; D30-L34 WeakPolarHBondContact O-CG 3.39Å; D30-L34 PolarHBondContact O-N 3.4Å
31E93.3Very high90.2Very high2 Ų255.4 Ų55.41%0.00931%0.313CS..Hα-helixtrans-70.9-42174.5-67.5167.5129.500111.7Y17 A18 K20 E21 L27 S28 K33 L34 L35Y17-E31 VanDerWaalsContact O-CD 3.31Å; Y17-E31 WeakPolarHBondContact O-CG 3.38Å; A18-E31 VanDerWaalsContact O-OE1 3.08Å; K20-E31 HydrophobicContact CB-CG 4.46Å; K20-E31 PolarHBondContact N-OE1 3.07Å; E21-E31 WeakPolarHBondContact CA-OE1 3.44Å; E21-E31 PolarHBondContact N-OE1 3.45Å; L27-E31 HydrophobicContact CD2-CB 3.65Å; S28-E31 WeakPolarHBondContact CB-OE2 3.24Å; S28-E31 PolarHBondContact N-OE2 3.21Å; S28-E31 PolarHBondContact O-N 2.78Å; S28-E31 VanDerWaalsContact O-N 3.14Å; S28-E31 VanDerWaalsContact OG-CD 3.32Å; S28-E31 VanDerWaalsContact OG-CG 3.26Å; S28-E31 WeakPolarHBondContact OG-CG 3.25Å; S28-E31 PolarHBondContact OG-N 2.9Å; S28-E31 PolarHBondContact OG-OE2 2.89Å; E31-K33 VanDerWaalsContact C-N 3.26Å; E31-K33 PolarHBondContact O-N 2.86Å; E31-L34 PolarHBondContact O-N 3.44Å; E31-L35 WeakPolarHBondContact O-CB 3.47Å; E31-L35 PolarHBondContact O-N 3.05Å
32L92.7Very high90.5Very high0 Ų053.2 Ų53.20%031%0.312CS..Hα-helixtrans-57.6-43172.2-175.371.2000110L27 S28 L34 L35 I36 F54 L57 V65 F70L27-L32 HydrophobicContact CB-CB 4.41Å; L27-L32 HydrophobicContact CD1-CD1 4.09Å; S28-L32 WeakPolarHBondContact O-CB 3.37Å; S28-L32 PolarHBondContact O-N 3.33Å; L32-L34 VanDerWaalsContact C-N 3.32Å; L32-L34 PolarHBondContact O-N 3.18Å; L32-L35 PolarHBondContact O-N 3.2Å; L32-I36 HydrophobicContact CD1-CD1 4.19Å; L32-I36 HydrophobicContact CD1-CG1 4.04Å; L32-I36 HydrophobicContact CG-CG1 3.98Å; L32-I36 WeakPolarHBondContact O-CB 3.19Å; L32-I36 WeakPolarHBondContact O-CG1 3.44Å; L32-I36 PolarHBondContact O-N 2.92Å; L32-F54 HydrophobicContact CB-CD2 4.43Å; L32-F54 HydrophobicContact CD2-CB 4.09Å; L32-F54 HydrophobicContact CD2-CD2 3.59Å; L32-F54 HydrophobicContact CD2-CE2 4.48Å; L32-F54 HydrophobicContact CD2-CG 4.32Å; L32-L57 HydrophobicContact CD1-CD1 4.33Å; L32-L57 HydrophobicContact CD2-CD1 4.03Å; L32-V65 HydrophobicContact CD2-CG2 4.25Å; L32-F70 HydrophobicContact CD1-CD2 4.31Å
33K92.4Very high90.7Very high88 Ų8851 Ų5138%0.38328%0.281SS..Hα-helixtrans-51.7-51.1175-173.7164.7-179.6-177.60112.5K29 D30 E31 Q37 L50K29-K33 WeakPolarHBondContact O-CB 3.15Å; K29-K33 PolarHBondContact O-N 2.72Å; D30-K33 VanDerWaalsContact O-CB 3.24Å; D30-K33 WeakPolarHBondContact O-CB 3.05Å; D30-K33 PolarHBondContact O-N 3.27Å; E31-K33 VanDerWaalsContact C-N 3.26Å; E31-K33 PolarHBondContact O-N 2.86Å; K33-Q37 WeakPolarHBondContact O-CB 3.39Å; K33-Q37 VanDerWaalsContact O-CG 3.29Å; K33-Q37 WeakPolarHBondContact O-CG 3.32Å; K33-Q37 PolarHBondContact O-N 3.04Å; K33-L50 HydrophobicContact CB-CD1 4.22Å; K33-L50 HydrophobicContact CB-CD2 3.34Å; K33-L50 HydrophobicContact CB-CG 4.39Å; K33-L50 HydrophobicContact CD-CD2 3.59Å; K33-L50 HydrophobicContact CG-CD2 3.48Å; K33-L50 VanDerWaalsContact CG-CD2 3.48Å
34L92.5Very high90.7Very high82 Ų8250.4 Ų50.443%0.42928%0.277SS..Hα-helixtrans-66-43.1-177.7-68.1174.4000110.9Y17 D30 E31 L32 Q37 A38Y17-L34 HydrophobicContact CD1-CB 3.99Å; Y17-L34 HydrophobicContact CE1-CB 3.97Å; D30-L34 WeakPolarHBondContact O-CG 3.39Å; D30-L34 PolarHBondContact O-N 3.4Å; E31-L34 PolarHBondContact O-N 3.44Å; L32-L34 VanDerWaalsContact C-N 3.32Å; L32-L34 PolarHBondContact O-N 3.18Å; L34-Q37 PolarHBondContact O-N 2.97Å; L34-A38 VanDerWaalsContact O-CB 3.23Å; L34-A38 WeakPolarHBondContact O-CB 3.26Å; L34-A38 PolarHBondContact O-N 3.36Å
35L92.6Very high90.4Very high0 Ų055 Ų550%029%0.29CS..Hα-helixtrans-58.1-53.7176.1-173.7165.9000110.5I13 Y17 L27 E31 L32 Q37 A38 E39 F40 F70I13-L35 HydrophobicContact CG2-CD1 3.75Å; I13-L35 HydrophobicContact CG2-CD2 4.11Å; I13-L35 HydrophobicContact CG2-CG 3.63Å; Y17-L35 HydrophobicContact CD1-CB 4.24Å; Y17-L35 HydrophobicContact CD2-CB 3.7Å; Y17-L35 HydrophobicContact CD2-CD1 3.96Å; Y17-L35 HydrophobicContact CD2-CG 3.67Å; Y17-L35 HydrophobicContact CE2-CB 4.17Å; Y17-L35 HydrophobicContact CE2-CG 4.12Å; Y17-L35 HydrophobicContact CG-CB 3.79Å; Y17-L35 HydrophobicContact CG-CD1 4.38Å; Y17-L35 HydrophobicContact CG-CG 4.22Å; L27-L35 HydrophobicContact CD1-CD1 3.52Å; L27-L35 HydrophobicContact CD2-CD1 4.43Å; E31-L35 WeakPolarHBondContact O-CB 3.47Å; E31-L35 PolarHBondContact O-N 3.05Å; L32-L35 PolarHBondContact O-N 3.2Å; L35-Q37 PolarHBondContact O-N 3.11Å; L35-A38 PolarHBondContact O-N 3.06Å; L35-E39 HydrophobicContact CD2-CB 4.42Å; L35-E39 WeakPolarHBondContact O-CB 3.19Å; L35-E39 PolarHBondContact O-N 3.36Å; L35-F40 HydrophobicContact CD2-CD2 3.77Å; L35-F40 HydrophobicContact CD2-CE2 3.87Å; L35-F70 HydrophobicContact CD1-CD2 4.46Å; L35-F70 HydrophobicContact CD1-CE2 3.69Å; L35-F70 HydrophobicContact CD1-CZ 3.82Å; L35-F70 HydrophobicContact CD2-CE2 3.59Å; L35-F70 HydrophobicContact CD2-CZ 3.77Å; L35-F70 HydrophobicContact CG-CE2 4.34Å; L35-F70 HydrophobicContact CG-CZ 4.45Å
36I91.2Very high89.9Confident0 Ų051.6 Ų51.60%028%0.282CS..Hα-helixtrans-62-44.4-178.5-60.8-66.1000110.3L32 A38 F40 P41 L43 L44 L50 L53 L73L32-I36 HydrophobicContact CD1-CD1 4.19Å; L32-I36 HydrophobicContact CD1-CG1 4.04Å; L32-I36 HydrophobicContact CG-CG1 3.98Å; L32-I36 WeakPolarHBondContact O-CB 3.19Å; L32-I36 WeakPolarHBondContact O-CG1 3.44Å; L32-I36 PolarHBondContact O-N 2.92Å; I36-A38 VanDerWaalsContact C-N 3.33Å; I36-A38 PolarHBondContact O-N 3.46Å; I36-F40 HydrophobicContact CD1-CB 4.5Å; I36-F40 HydrophobicContact CD1-CD2 4.38Å; I36-F40 HydrophobicContact CG2-CB 4.45Å; I36-F40 CarbonylContact O-C 2.77Å; I36-F40 WeakPolarHBondContact O-CA 3.44Å; I36-F40 PolarHBondContact O-N 2.96Å; I36-P41 WeakPolarHBondContact O-CA 3.48Å; I36-L43 HydrophobicContact CD1-CD1 3.76Å; I36-L43 HydrophobicContact CG2-CB 4.02Å; I36-L43 HydrophobicContact CG2-CD1 4.36Å; I36-L44 HydrophobicContact CG2-CD1 3.83Å; I36-L44 HydrophobicContact CG2-CD2 4.22Å; I36-L44 HydrophobicContact CG2-CG 3.66Å; I36-L50 HydrophobicContact CB-CD1 4.47Å; I36-L50 HydrophobicContact CG1-CD1 4.31Å; I36-L53 HydrophobicContact CD1-CD2 3.88Å; I36-L53 HydrophobicContact CG1-CD2 4.06Å; I36-L53 HydrophobicContact CG2-CD2 4.31Å; I36-L73 HydrophobicContact CD1-CD1 4.2Å; I36-L73 HydrophobicContact CD1-CD2 3.31Å; I36-L73 HydrophobicContact CD1-CG 4.35Å
37Q90.7Very high89.4Confident101 Ų10155.9 Ų55.947%0.47231%0.313SS..Hα-helixtrans-65.1-36.1179.4-74.4-1774000113.3K33 L34 L35 L44K33-Q37 WeakPolarHBondContact O-CB 3.39Å; K33-Q37 VanDerWaalsContact O-CG 3.29Å; K33-Q37 WeakPolarHBondContact O-CG 3.32Å; K33-Q37 PolarHBondContact O-N 3.04Å; L34-Q37 PolarHBondContact O-N 2.97Å; L35-Q37 PolarHBondContact O-N 3.11Å; Q37-L44 HydrophobicContact CG-CD1 3.65Å
38A91.4Very high88.9Confident58 Ų5858.7 Ų58.748%0.47933%0.328SS..Hα-helixtrans-79.5-44.8-178.700000112.6Y17 L34 L35 I36Y17-A38 WeakPolarHBondContact OH-CB 3.37Å; L34-A38 VanDerWaalsContact O-CB 3.23Å; L34-A38 WeakPolarHBondContact O-CB 3.26Å; L34-A38 PolarHBondContact O-N 3.36Å; L35-A38 PolarHBondContact O-N 3.06Å; I36-A38 VanDerWaalsContact C-N 3.33Å; I36-A38 PolarHBondContact O-N 3.46Å
39E90.2Very high88.8Confident55 Ų5560.8 Ų60.826%0.25734%0.34SS..Hα-helixtrans-102.9-33.2-168.5-59.9-64.8156.200112.9K5 I13 Y17 L35 P41K5-E39 WeakPolarHBondContact CE-OE2 3.31Å; K5-E39 IonicContact NZ-OE2 2.79Å; K5-E39 PolarHBondContact NZ-OE2 3.18Å; I13-E39 HydrophobicContact CD1-CG 4Å; I13-E39 WeakPolarHBondContact CD1-OE2 3.47Å; I13-E39 HydrophobicContact CG1-CG 4.32Å; I13-E39 HydrophobicContact CG2-CG 3.76Å; Y17-E39 HydrophobicContact CE2-CG 4.19Å; L35-E39 HydrophobicContact CD2-CB 4.42Å; L35-E39 WeakPolarHBondContact O-CB 3.19Å; L35-E39 PolarHBondContact O-N 3.36Å; E39-P41 VanDerWaalsContact C-CD 3.47Å
40F88.6Confident88.7Confident16 Ų1657.9 Ų57.97%0.0733%0.328CS..  trans-13449.7-174.8-54.2-72.6000113.6K5 L10 L35 I36 S42 L43 F70 L73 I77K5-F40 HydrophobicContact CD-CE1 3.97Å; K5-F40 HydrophobicContact CD-CE2 4.48Å; K5-F40 HydrophobicContact CD-CZ 3.56Å; K5-F40 HydrophobicContact CG-CE1 4.21Å; K5-F40 HydrophobicContact CG-CZ 4.19Å; L10-F40 HydrophobicContact CD2-CE2 4.03Å; L10-F40 HydrophobicContact CD2-CZ 3.52Å; L35-F40 HydrophobicContact CD2-CD2 3.77Å; L35-F40 HydrophobicContact CD2-CE2 3.87Å; I36-F40 HydrophobicContact CD1-CB 4.5Å; I36-F40 HydrophobicContact CD1-CD2 4.38Å; I36-F40 HydrophobicContact CG2-CB 4.45Å; I36-F40 CarbonylContact O-C 2.77Å; I36-F40 WeakPolarHBondContact O-CA 3.44Å; I36-F40 PolarHBondContact O-N 2.96Å; F40-S42 PolarHBondContact O-N 2.63Å; F40-L43 HydrophobicContact CB-CD1 3.57Å; F40-L43 HydrophobicContact CB-CG 4.02Å; F40-L43 HydrophobicContact CG-CD1 4.18Å; F40-L43 WeakPolarHBondContact O-CB 3.21Å; F40-L43 PolarHBondContact O-N 3.44Å; F40-F70 HydrophobicContact CE2-CZ 4.19Å; F40-L73 HydrophobicContact CD2-CD2 4.17Å; F40-L73 HydrophobicContact CE2-CD2 4.42Å; F40-I77 HydrophobicContact CD1-CD1 3.88Å; F40-I77 HydrophobicContact CE1-CD1 3.33Å; F40-I77 HydrophobicContact CZ-CD1 4.01Å
41P88.1Confident88.6Confident57 Ų5756.1 Ų56.137%0.3732%0.318SS..G310 helixtrans-59.4-22.7-175.722.4-33.5000112.4I36 E39 L43 L44 K45I36-P41 WeakPolarHBondContact O-CA 3.48Å; E39-P41 VanDerWaalsContact C-CD 3.47Å; P41-L43 VanDerWaalsContact C-N 3.26Å; P41-L43 PolarHBondContact O-N 3.41Å; P41-L44 PolarHBondContact O-N 3.08Å; P41-K45 PolarHBondContact O-N 2.82Å
42S85.9Confident88.6Confident84 Ų8459.5 Ų59.559%0.58734%0.336SS*.G310 helixtrans-61.9-26.6174.9-58.10000114.3F40 L44 K45F40-S42 PolarHBondContact O-N 2.63Å; S42-L44 PolarHBondContact O-N 2.9Å; S42-K45 PolarHBondContact O-N 3.35Å
43L84.9Confident88.5Confident33 Ų3359.6 Ų59.617%0.17334%0.337CS..G310 helixtrans-66.8-28.6175.8-71.5172.4000112.2I36 F40 P41 L53 L73 I77I36-L43 HydrophobicContact CD1-CD1 3.76Å; I36-L43 HydrophobicContact CG2-CB 4.02Å; I36-L43 HydrophobicContact CG2-CD1 4.36Å; F40-L43 HydrophobicContact CB-CD1 3.57Å; F40-L43 HydrophobicContact CB-CG 4.02Å; F40-L43 HydrophobicContact CG-CD1 4.18Å; F40-L43 WeakPolarHBondContact O-CB 3.21Å; F40-L43 PolarHBondContact O-N 3.44Å; P41-L43 VanDerWaalsContact C-N 3.26Å; P41-L43 PolarHBondContact O-N 3.41Å; L43-L53 HydrophobicContact CB-CD2 4.23Å; L43-L53 HydrophobicContact CD1-CD2 4.21Å; L43-L73 HydrophobicContact CD1-CD1 3.28Å; L43-L73 HydrophobicContact CD1-CD2 3.83Å; L43-L73 HydrophobicContact CD1-CG 3.72Å; L43-L73 HydrophobicContact CD2-CD1 4.37Å; L43-L73 HydrophobicContact CG-CD1 4.45Å; L43-I77 HydrophobicContact CD1-CG2 4.19Å; L43-I77 HydrophobicContact CD2-CG2 3.75Å; L43-I77 HydrophobicContact CG-CG2 4.14Å
44L85.7Confident88.5Confident53 Ų5356 Ų5628%0.27732%0.321SS..G310 helixtrans-921.4176.4-59.3175.6000113.1I36 Q37 P41 S42 G46 L50I36-L44 HydrophobicContact CG2-CD1 3.83Å; I36-L44 HydrophobicContact CG2-CD2 4.22Å; I36-L44 HydrophobicContact CG2-CG 3.66Å; Q37-L44 HydrophobicContact CG-CD1 3.65Å; P41-L44 PolarHBondContact O-N 3.08Å; S42-L44 PolarHBondContact O-N 2.9Å; L44-G46 VanDerWaalsContact C-N 3.29Å; L44-L50 HydrophobicContact CD2-CB 3.88Å; L44-L50 HydrophobicContact CD2-CD1 4.4Å
45K82.5Confident88.5Confident165 Ų16558.1 Ų58.172%0.71733%0.329SS*.G310 helixtrans-84.8-3175.9-69.4-176.5-175.6177.80113.2P41 S42P41-K45 PolarHBondContact O-N 2.82Å; S42-K45 PolarHBondContact O-N 3.35Å
46G79.3Confident88.4Confident42 Ų4261.2 Ų61.243%0.43334%0.343SS..SBendtrans-98.3-167.7-179.400000113.4L44 N48L44-G46 VanDerWaalsContact C-N 3.29Å; G46-N48 PolarHBondContact O-N 2.87Å
47P82.5Confident88.5Confident125 Ų12561.2 Ų61.281%0.81234%0.343SS*.SBendtrans-69.8-18.8171.830.9-34.7000112.4T49P47-T49 PolarHBondContact O-N 3.16Å
48N85.5Confident88.7Confident59 Ų5957.4 Ų57.432%0.31633%0.327SS..  trans-72123.5179.4-62.174.7000110.3G46G46-N48 PolarHBondContact O-N 2.87Å
49T89.5Confident88.6Confident71 Ų7161.3 Ų61.344%0.43633%0.333SS..  trans-80.3166.7167.568.80000110.2P47 D51 D52 L53P47-T49 PolarHBondContact O-N 3.16Å; T49-D51 PolarHBondContact O-N 2.77Å; T49-D51 PolarHBondContact OG1-N 3.32Å; T49-D52 WeakPolarHBondContact CB-OD2 3.31Å; T49-D52 PolarHBondContact N-OD2 3.47Å; T49-D52 PolarHBondContact O-N 3.01Å; T49-D52 VanDerWaalsContact OG1-CG 3.27Å; T49-D52 PolarHBondContact OG1-N 3.32Å; T49-D52 PolarHBondContact OG1-OD2 3.18Å; T49-L53 WeakPolarHBondContact O-CB 3.32Å; T49-L53 PolarHBondContact O-N 2.93Å
50L90.5Very high88.7Confident24 Ų2463.3 Ų63.313%0.12635%0.345CS..Hα-helixtrans-56.8-37.2169.9178.876.5000111.1K33 I36 L44 L53 F54K33-L50 HydrophobicContact CB-CD1 4.22Å; K33-L50 HydrophobicContact CB-CD2 3.34Å; K33-L50 HydrophobicContact CB-CG 4.39Å; K33-L50 HydrophobicContact CD-CD2 3.59Å; K33-L50 HydrophobicContact CG-CD2 3.48Å; K33-L50 VanDerWaalsContact CG-CD2 3.48Å; I36-L50 HydrophobicContact CB-CD1 4.47Å; I36-L50 HydrophobicContact CG1-CD1 4.31Å; L44-L50 HydrophobicContact CD2-CB 3.88Å; L44-L50 HydrophobicContact CD2-CD1 4.4Å; L50-L53 PolarHBondContact O-N 3.35Å; L50-F54 WeakPolarHBondContact O-CB 3.3Å; L50-F54 PolarHBondContact O-N 3.36Å
51D91.5Very high88.8Confident63 Ų6365.3 Ų65.334%0.33737%0.37SS..Hα-helixtrans-62.6-50.4-179.8-160.8-98.8000110.9K29 T49 L53 F54 Q55K29-D51 WeakPolarHBondContact CE-OD2 3.45Å; K29-D51 IonicContact NZ-OD2 2.57Å; K29-D51 PolarHBondContact NZ-OD2 3.34Å; T49-D51 PolarHBondContact O-N 2.77Å; T49-D51 PolarHBondContact OG1-N 3.32Å; D51-L53 VanDerWaalsContact C-N 3.27Å; D51-L53 PolarHBondContact O-N 2.79Å; D51-F54 WeakPolarHBondContact O-CB 3.38Å; D51-F54 PolarHBondContact O-N 3.15Å; D51-F54 VanDerWaalsContact O-N 3.16Å; D51-Q55 WeakPolarHBondContact O-CG 3.28Å; D51-Q55 PolarHBondContact O-N 2.95Å
52D91.4Very high89.1Confident73 Ų7365.9 Ų65.939%0.3937%0.37SS..Hα-helixtrans-58.9-41.7176.1-57.5-60.9000111.4T49 E56T49-D52 WeakPolarHBondContact CB-OD2 3.31Å; T49-D52 PolarHBondContact N-OD2 3.47Å; T49-D52 PolarHBondContact O-N 3.01Å; T49-D52 VanDerWaalsContact OG1-CG 3.27Å; T49-D52 PolarHBondContact OG1-N 3.32Å; T49-D52 PolarHBondContact OG1-OD2 3.18Å; D52-E56 VanDerWaalsContact O-CB 3.25Å; D52-E56 WeakPolarHBondContact O-CB 3.36Å; D52-E56 PolarHBondContact O-N 3.41Å
53L91Very high89.3Confident3 Ų363.7 Ų63.72%0.01636%0.361CS..Hα-helixtrans-66.5-43.5178.6-176.463.4000111.3I36 L43 T49 L50 D51 E56 L57 L73I36-L53 HydrophobicContact CD1-CD2 3.88Å; I36-L53 HydrophobicContact CG1-CD2 4.06Å; I36-L53 HydrophobicContact CG2-CD2 4.31Å; L43-L53 HydrophobicContact CB-CD2 4.23Å; L43-L53 HydrophobicContact CD1-CD2 4.21Å; T49-L53 WeakPolarHBondContact O-CB 3.32Å; T49-L53 PolarHBondContact O-N 2.93Å; L50-L53 PolarHBondContact O-N 3.35Å; D51-L53 VanDerWaalsContact C-N 3.27Å; D51-L53 PolarHBondContact O-N 2.79Å; L53-E56 PolarHBondContact O-N 2.85Å; L53-L57 HydrophobicContact CD1-CD1 4.33Å; L53-L57 HydrophobicContact CD1-CG 4.46Å; L53-L57 HydrophobicContact CG-CD1 4.1Å; L53-L57 VanDerWaalsContact O-CG 3.23Å; L53-L57 WeakPolarHBondContact O-CG 3.2Å; L53-L57 PolarHBondContact O-N 3.12Å; L53-L73 HydrophobicContact CD1-CD1 3.69Å; L53-L73 HydrophobicContact CD2-CD1 4.02Å; L53-L73 HydrophobicContact CG-CD1 4.22Å
54F93Very high89.7Confident12 Ų1265 Ų655%0.05337%0.366CS..Hα-helixtrans-60.5-52.2177.6-179.2-86.9000110.1K29 L32 L50 D51 E56 L57 D58 G63 V65K29-F54 VanDerWaalsContact CA-CE2 3.46Å; K29-F54 HydrophobicContact CB-CD2 3.84Å; K29-F54 HydrophobicContact CB-CE2 3.75Å; K29-F54 HydrophobicContact CB-CG 4.32Å; K29-F54 HydrophobicContact CB-CZ 4.16Å; K29-F54 HydrophobicContact CG-CD1 4.44Å; K29-F54 HydrophobicContact CG-CD2 3.92Å; K29-F54 HydrophobicContact CG-CE2 4.33Å; K29-F54 HydrophobicContact CG-CG 4.02Å; L32-F54 HydrophobicContact CB-CD2 4.43Å; L32-F54 HydrophobicContact CD2-CB 4.09Å; L32-F54 HydrophobicContact CD2-CD2 3.59Å; L32-F54 HydrophobicContact CD2-CE2 4.48Å; L32-F54 HydrophobicContact CD2-CG 4.32Å; L50-F54 WeakPolarHBondContact O-CB 3.3Å; L50-F54 PolarHBondContact O-N 3.36Å; D51-F54 WeakPolarHBondContact O-CB 3.38Å; D51-F54 PolarHBondContact O-N 3.15Å; D51-F54 VanDerWaalsContact O-N 3.16Å; F54-E56 PolarHBondContact O-N 3.02Å; F54-L57 PolarHBondContact O-N 2.88Å; F54-D58 HydrophobicContact CD1-CB 4.39Å; F54-D58 HydrophobicContact CE1-CB 3.95Å; F54-D58 HydrophobicContact CZ-CB 4.25Å; F54-D58 WeakPolarHBondContact O-CB 3.47Å; F54-D58 PolarHBondContact O-N 2.79Å; F54-G63 VanDerWaalsContact CZ-C 3.45Å; F54-G63 VanDerWaalsContact CZ-O 3.26Å; F54-G63 WeakPolarHBondContact CZ-O 3.4Å; F54-V65 HydrophobicContact CD2-CG2 3.9Å; F54-V65 HydrophobicContact CE2-CG2 3.58Å; F54-V65 HydrophobicContact CZ-CG2 4.15Å
55Q92.4Very high90.1Very high126 Ų12662.5 Ų62.559%0.58935%0.353SS*.Hα-helixtrans-63.1-29.1177.1-66.6-164.3-60.300113.2D51D51-Q55 WeakPolarHBondContact O-CG 3.28Å; D51-Q55 PolarHBondContact O-N 2.95Å
56E91.3Very high90.7Very high65 Ų6555.8 Ų55.830%0.30433%0.327SS..Hα-helixtrans-72.2-33.8174.5-167.8-171.384.600111.7D52 L53 F54 K59 K76D52-E56 VanDerWaalsContact O-CB 3.25Å; D52-E56 WeakPolarHBondContact O-CB 3.36Å; D52-E56 PolarHBondContact O-N 3.41Å; L53-E56 PolarHBondContact O-N 2.85Å; F54-E56 PolarHBondContact O-N 3.02Å; E56-K59 WeakPolarHBondContact O-CD 3.18Å; E56-K59 WeakPolarHBondContact O-CE 3.3Å; E56-K59 PolarHBondContact O-NZ 3.39Å; E56-K76 IonicContact OE1-NZ 2.84Å; E56-K76 PolarHBondContact OE1-NZ 3.17Å; E56-K76 IonicContact OE2-NZ 3.36Å; E56-K76 PolarHBondContact OE2-NZ 2.84Å
57L92.2Very high91.3Very high0 Ų056.3 Ų56.30%032%0.317CS..Hα-helixtrans-81.9-45.4-179.9-66.3172.8000112L32 L53 F54 K59 V65 E69 V72 L73L32-L57 HydrophobicContact CD1-CD1 4.33Å; L32-L57 HydrophobicContact CD2-CD1 4.03Å; L53-L57 HydrophobicContact CD1-CD1 4.33Å; L53-L57 HydrophobicContact CD1-CG 4.46Å; L53-L57 HydrophobicContact CG-CD1 4.1Å; L53-L57 VanDerWaalsContact O-CG 3.23Å; L53-L57 WeakPolarHBondContact O-CG 3.2Å; L53-L57 PolarHBondContact O-N 3.12Å; F54-L57 PolarHBondContact O-N 2.88Å; L57-K59 VanDerWaalsContact C-N 3.32Å; L57-K59 PolarHBondContact O-N 3.21Å; L57-V65 HydrophobicContact CB-CG1 4.15Å; L57-V65 HydrophobicContact CB-CG2 4.07Å; L57-E69 WeakPolarHBondContact CD2-O 3.24Å; L57-E69 VanDerWaalsContact O-CB 3.24Å; L57-E69 WeakPolarHBondContact O-CB 3.39Å; L57-E69 WeakPolarHBondContact O-CG 3.23Å; L57-V72 HydrophobicContact CD2-CB 3.88Å; L57-V72 HydrophobicContact CD2-CG1 4.23Å; L57-L73 HydrophobicContact CD1-CB 4.32Å; L57-L73 HydrophobicContact CD1-CD1 4.06Å; L57-L73 HydrophobicContact CD2-CB 3.99Å; L57-L73 HydrophobicContact CD2-CD1 4.42Å
58D94.6Very high91.7Very high22 Ų2257.7 Ų57.712%0.11831%0.313CS..  trans-66.984.4175.4177.78.5000109.9F54 N60 G61 D62 G63 V65F54-D58 HydrophobicContact CD1-CB 4.39Å; F54-D58 HydrophobicContact CE1-CB 3.95Å; F54-D58 HydrophobicContact CZ-CB 4.25Å; F54-D58 WeakPolarHBondContact O-CB 3.47Å; F54-D58 PolarHBondContact O-N 2.79Å; D58-N60 PolarHBondContact OD1-OD1 2.89Å; D58-G61 WeakPolarHBondContact OD1-CA 3.47Å; D58-G61 PolarHBondContact OD1-N 2.57Å; D58-D62 PolarHBondContact OD1-N 2.85Å; D58-D62 VanDerWaalsContact OD1-N 3.15Å; D58-G63 WeakPolarHBondContact OD2-CA 3.44Å; D58-G63 PolarHBondContact OD2-N 3.48Å; D58-G63 VanDerWaalsContact OD2-N 3.08Å; D58-V65 HydrophobicContact CB-CG2 4.36Å
59K91Very high92.1Very high140 Ų14055.6 Ų55.661%0.60930%0.301SS*.SBendtrans-82.4-31.2-176.3-70-49.3-169.6-162.80111.7E56 L57 G61 E69E56-K59 WeakPolarHBondContact O-CD 3.18Å; E56-K59 WeakPolarHBondContact O-CE 3.3Å; E56-K59 PolarHBondContact O-NZ 3.39Å; L57-K59 VanDerWaalsContact C-N 3.32Å; L57-K59 PolarHBondContact O-N 3.21Å; K59-G61 VanDerWaalsContact C-N 3.35Å; K59-E69 PolarHBondContact N-OE1 3.24Å
60N92.3Very high92.2Very high96 Ų9652.2 Ų52.251%0.51328%0.28SS..SBendtrans-81.8-17.2178.467.3-0.5000112.2D58 D62 E69D58-N60 PolarHBondContact OD1-OD1 2.89Å; N60-D62 VanDerWaalsContact C-N 3.35Å; N60-D62 PolarHBondContact ND2-OD2 3.37Å; N60-D62 PolarHBondContact OD1-N 3.04Å; N60-D62 VanDerWaalsContact OD1-N 3.1Å; N60-D62 PolarHBondContact OD1-OD1 3.28Å; N60-E69 PolarHBondContact N-OE1 2.83Å; N60-E69 PolarHBondContact OD1-OE1 2.79Å
61G90.1Very high92.1Very high58 Ų5854.6 Ų54.660%0.59829%0.291SS*.  trans72.426.717900000113D58 K59 G63D58-G61 WeakPolarHBondContact OD1-CA 3.47Å; D58-G61 PolarHBondContact OD1-N 2.57Å; K59-G61 VanDerWaalsContact C-N 3.35Å; G61-G63 VanDerWaalsContact C-N 3.26Å
62D93Very high92Very high69 Ų6953.9 Ų53.937%0.36929%0.289SS..SBendtrans-80.3-10.3178.869.46.4000112.7Q26 D58 N60 E64Q26-D62 PolarHBondContact NE2-OD2 3.14Å; D58-D62 PolarHBondContact OD1-N 2.85Å; D58-D62 VanDerWaalsContact OD1-N 3.15Å; N60-D62 VanDerWaalsContact C-N 3.35Å; N60-D62 PolarHBondContact ND2-OD2 3.37Å; N60-D62 PolarHBondContact OD1-N 3.04Å; N60-D62 VanDerWaalsContact OD1-N 3.1Å; N60-D62 PolarHBondContact OD1-OD1 3.28Å; D62-E64 VanDerWaalsContact C-N 3.33Å; D62-E64 WeakPolarHBondContact OD1-CA 3.15Å; D62-E64 PolarHBondContact OD1-N 3.33Å
63G91.8Very high91.7Very high38 Ų3850.4 Ų50.439%0.39227%0.27SS..SBendtrans82.813.7-177.400000113.2F54 D58 G61F54-G63 VanDerWaalsContact CZ-C 3.45Å; F54-G63 VanDerWaalsContact CZ-O 3.26Å; F54-G63 WeakPolarHBondContact CZ-O 3.4Å; D58-G63 WeakPolarHBondContact OD2-CA 3.44Å; D58-G63 PolarHBondContact OD2-N 3.48Å; D58-G63 VanDerWaalsContact OD2-N 3.08Å; G61-G63 VanDerWaalsContact C-N 3.26Å
64E93.1Very high91.4Very high62 Ų6251.3 Ų51.329%0.2928%0.276SS..EExtended strand (participates in β ladder)trans-131.7164.3173.8-50.8-168.181.300109.4Q26 L27 D62Q26-E64 HydrophobicContact CB-CB 3.87Å; Q26-E64 PolarHBondContact OE1-OE2 3.29Å; L27-E64 CarbonylContact O-C 3.54Å; D62-E64 VanDerWaalsContact C-N 3.33Å; D62-E64 WeakPolarHBondContact OD1-CA 3.15Å; D62-E64 PolarHBondContact OD1-N 3.33Å
65V94.2Very high91Very high0 Ų057.4 Ų57.40%030%0.302CS..EExtended strand (participates in β ladder)trans-120.7109178.2174.70000108.3F14 L27 L32 F54 L57 D58 E69 F70F14-V65 VanDerWaalsContact CE2-O 3.31Å; F14-V65 WeakPolarHBondContact CE2-O 3.4Å; F14-V65 WeakPolarHBondContact CZ-O 3.45Å; L27-V65 HydrophobicContact CB-CB 4.27Å; L27-V65 PolarHBondContact N-O 3.21Å; L27-V65 PolarHBondContact O-N 3.02Å; L32-V65 HydrophobicContact CD2-CG2 4.25Å; F54-V65 HydrophobicContact CD2-CG2 3.9Å; F54-V65 HydrophobicContact CE2-CG2 3.58Å; F54-V65 HydrophobicContact CZ-CG2 4.15Å; L57-V65 HydrophobicContact CB-CG1 4.15Å; L57-V65 HydrophobicContact CB-CG2 4.07Å; D58-V65 HydrophobicContact CB-CG2 4.36Å; V65-E69 HydrophobicContact CG1-CB 3.82Å; V65-F70 HydrophobicContact CG1-CB 4.14Å
66S94.2Very high90.5Very high23 Ų2355.2 Ų55.216%0.16129%0.291CS..EExtended strand (participates in β ladder)trans-68.1164.7175.1650000112E68 E69 F70S66-E68 PolarHBondContact O-N 3.34Å; S66-E69 WeakPolarHBondContact CB-OE2 3.17Å; S66-E69 PolarHBondContact N-OE2 3.44Å; S66-E69 PolarHBondContact O-N 3.21Å; S66-E69 WeakPolarHBondContact OG-CG 3.46Å; S66-E69 PolarHBondContact OG-N 2.95Å; S66-E69 PolarHBondContact OG-OE2 3.44Å; S66-F70 WeakPolarHBondContact O-CB 3.48Å; S66-F70 PolarHBondContact O-N 2.84Å
67F91.6Very high89.8Confident53 Ų5354.7 Ų54.723%0.23229%0.289CS..Hα-helixtrans-58.9-35.2175-177.3-113.2000112.6K11 F14 F70 Q71K11-F67 HydrophobicContact CB-CE2 3.64Å; K11-F67 HydrophobicContact CB-CZ 3.69Å; K11-F67 HydrophobicContact CD-CZ 4.3Å; K11-F67 HydrophobicContact CG-CD2 4.4Å; K11-F67 HydrophobicContact CG-CE2 3.86Å; K11-F67 HydrophobicContact CG-CZ 3.92Å; F14-F67 HydrophobicContact CB-CD2 4.16Å; F14-F67 HydrophobicContact CD1-CB 4.36Å; F14-F67 HydrophobicContact CD1-CD2 4.11Å; F14-F67 HydrophobicContact CD2-CD2 4.22Å; F14-F67 HydrophobicContact CE1-CB 4.07Å; F14-F67 HydrophobicContact CE2-CB 4.38Å; F14-F67 AromaticContact CG-CD2 3.9Å; F14-F67 HydrophobicContact CG-CD2 3.9Å; F14-F67 HydrophobicContact CZ-CB 4.09Å; F67-F70 HydrophobicContact CD2-CD1 4.4Å; F67-F70 HydrophobicContact CE2-CD1 4.46Å; F67-F70 PolarHBondContact O-N 2.88Å; F67-Q71 HydrophobicContact CE1-CG 4.31Å; F67-Q71 HydrophobicContact CZ-CG 4.31Å; F67-Q71 WeakPolarHBondContact O-CG 3.11Å; F67-Q71 PolarHBondContact O-N 2.76Å
68E91.9Very high88.9Confident155 Ų15557.5 Ų57.572%0.72431%0.309SS*.Hα-helixtrans-65.4-41.2177.4-65.7-166.8104.400112S66 Q71S66-E68 PolarHBondContact O-N 3.34Å; E68-Q71 WeakPolarHBondContact O-CB 3.29Å; E68-Q71 PolarHBondContact O-N 3.17Å
69E93.2Very high87.1Confident14 Ų1467.8 Ų67.87%0.06536%0.356CS..Hα-helixtrans-69.1-41.3175.1-72.6165.3141.800111.1L57 K59 N60 V65 S66 Q71 V72L57-E69 WeakPolarHBondContact CD2-O 3.24Å; L57-E69 VanDerWaalsContact O-CB 3.24Å; L57-E69 WeakPolarHBondContact O-CB 3.39Å; L57-E69 WeakPolarHBondContact O-CG 3.23Å; K59-E69 PolarHBondContact N-OE1 3.24Å; N60-E69 PolarHBondContact N-OE1 2.83Å; N60-E69 PolarHBondContact OD1-OE1 2.79Å; V65-E69 HydrophobicContact CG1-CB 3.82Å; S66-E69 WeakPolarHBondContact CB-OE2 3.17Å; S66-E69 PolarHBondContact N-OE2 3.44Å; S66-E69 PolarHBondContact O-N 3.21Å; S66-E69 WeakPolarHBondContact OG-CG 3.46Å; S66-E69 PolarHBondContact OG-N 2.95Å; S66-E69 PolarHBondContact OG-OE2 3.44Å; E69-Q71 PolarHBondContact O-N 3.37Å; E69-V72 WeakPolarHBondContact O-CA 3.28Å; E69-V72 WeakPolarHBondContact O-CB 3.13Å; E69-V72 WeakPolarHBondContact O-CG2 3.35Å; E69-V72 PolarHBondContact O-N 3.37Å
70F91.3Very high86.9Confident0 Ų064.2 Ų64.20%034%0.344CS..Hα-helixtrans-59.1-31.6174.2-177.2-109.4000112.5L10 F14 L27 L32 L35 F40 V65 S66 F67 V72 L73L10-F70 HydrophobicContact CB-CE1 4.05Å; L10-F70 HydrophobicContact CD2-CE1 3.78Å; L10-F70 HydrophobicContact CD2-CZ 3.96Å; F14-F70 HydrophobicContact CB-CD1 4.15Å; F14-F70 HydrophobicContact CB-CE1 4.2Å; F14-F70 HydrophobicContact CD2-CB 3.76Å; F14-F70 AromaticContact CD2-CD1 3.81Å; F14-F70 HydrophobicContact CD2-CD1 3.81Å; F14-F70 HydrophobicContact CD2-CD2 4.33Å; F14-F70 AromaticContact CD2-CG 3.7Å; F14-F70 HydrophobicContact CD2-CG 3.7Å; F14-F70 HydrophobicContact CE2-CB 3.91Å; F14-F70 HydrophobicContact CE2-CG 4.33Å; F14-F70 HydrophobicContact CG-CD1 4.39Å; L27-F70 HydrophobicContact CD1-CD2 4.24Å; L32-F70 HydrophobicContact CD1-CD2 4.31Å; L35-F70 HydrophobicContact CD1-CD2 4.46Å; L35-F70 HydrophobicContact CD1-CE2 3.69Å; L35-F70 HydrophobicContact CD1-CZ 3.82Å; L35-F70 HydrophobicContact CD2-CE2 3.59Å; L35-F70 HydrophobicContact CD2-CZ 3.77Å; L35-F70 HydrophobicContact CG-CE2 4.34Å; L35-F70 HydrophobicContact CG-CZ 4.45Å; F40-F70 HydrophobicContact CE2-CZ 4.19Å; V65-F70 HydrophobicContact CG1-CB 4.14Å; S66-F70 WeakPolarHBondContact O-CB 3.48Å; S66-F70 PolarHBondContact O-N 2.84Å; F67-F70 HydrophobicContact CD2-CD1 4.4Å; F67-F70 HydrophobicContact CE2-CD1 4.46Å; F67-F70 PolarHBondContact O-N 2.88Å; F70-V72 PolarHBondContact O-N 3.28Å; F70-L73 HydrophobicContact CD2-CB 4.48Å; F70-L73 HydrophobicContact CD2-CD2 4.05Å; F70-L73 HydrophobicContact CE2-CD2 3.51Å; F70-L73 HydrophobicContact CZ-CD2 4.24Å; F70-L73 WeakPolarHBondContact O-CB 3.37Å; F70-L73 PolarHBondContact O-N 3.07Å; F70-L73 VanDerWaalsContact O-N 3.07Å
71Q89.8Confident86.7Confident74 Ų7462.5 Ų62.535%0.34634%0.335SS..Hα-helixtrans-63.1-24.5172.7-72.1-178.4-18.600113.4F67 E68 E69 L73 V74 K75F67-Q71 HydrophobicContact CE1-CG 4.31Å; F67-Q71 HydrophobicContact CZ-CG 4.31Å; F67-Q71 WeakPolarHBondContact O-CG 3.11Å; F67-Q71 PolarHBondContact O-N 2.76Å; E68-Q71 WeakPolarHBondContact O-CB 3.29Å; E68-Q71 PolarHBondContact O-N 3.17Å; E69-Q71 PolarHBondContact O-N 3.37Å; Q71-L73 VanDerWaalsContact C-N 3.25Å; Q71-L73 PolarHBondContact O-N 3.06Å; Q71-V74 WeakPolarHBondContact O-CB 3.23Å; Q71-V74 PolarHBondContact O-N 2.93Å; Q71-K75 WeakPolarHBondContact O-CG 3.45Å; Q71-K75 PolarHBondContact O-N 2.83Å; Q71-K75 VanDerWaalsContact O-N 3.13Å
72V88.9Confident86.5Confident48 Ų4862.8 Ų62.829%0.29132%0.32SS..Hα-helixtrans-62.5-38.1173.3-178.10000110.3L57 E69 F70 V74 K75 K76L57-V72 HydrophobicContact CD2-CB 3.88Å; L57-V72 HydrophobicContact CD2-CG1 4.23Å; E69-V72 WeakPolarHBondContact O-CA 3.28Å; E69-V72 WeakPolarHBondContact O-CB 3.13Å; E69-V72 WeakPolarHBondContact O-CG2 3.35Å; E69-V72 PolarHBondContact O-N 3.37Å; F70-V72 PolarHBondContact O-N 3.28Å; V72-V74 VanDerWaalsContact C-N 3.29Å; V72-V74 PolarHBondContact O-N 2.95Å; V72-K75 WeakPolarHBondContact O-CB 3.43Å; V72-K75 PolarHBondContact O-N 2.86Å; V72-K76 PolarHBondContact O-N 3.06Å
73L85.7Confident86.1Confident0 Ų062.4 Ų62.40%032%0.317CS..Hα-helixtrans-57.9-44.1173.9-167.871000112.1I36 F40 L43 L53 L57 F70 Q71 K75 K76 I77I36-L73 HydrophobicContact CD1-CD1 4.2Å; I36-L73 HydrophobicContact CD1-CD2 3.31Å; I36-L73 HydrophobicContact CD1-CG 4.35Å; F40-L73 HydrophobicContact CD2-CD2 4.17Å; F40-L73 HydrophobicContact CE2-CD2 4.42Å; L43-L73 HydrophobicContact CD1-CD1 3.28Å; L43-L73 HydrophobicContact CD1-CD2 3.83Å; L43-L73 HydrophobicContact CD1-CG 3.72Å; L43-L73 HydrophobicContact CD2-CD1 4.37Å; L43-L73 HydrophobicContact CG-CD1 4.45Å; L53-L73 HydrophobicContact CD1-CD1 3.69Å; L53-L73 HydrophobicContact CD2-CD1 4.02Å; L53-L73 HydrophobicContact CG-CD1 4.22Å; L57-L73 HydrophobicContact CD1-CB 4.32Å; L57-L73 HydrophobicContact CD1-CD1 4.06Å; L57-L73 HydrophobicContact CD2-CB 3.99Å; L57-L73 HydrophobicContact CD2-CD1 4.42Å; F70-L73 HydrophobicContact CD2-CB 4.48Å; F70-L73 HydrophobicContact CD2-CD2 4.05Å; F70-L73 HydrophobicContact CE2-CD2 3.51Å; F70-L73 HydrophobicContact CZ-CD2 4.24Å; F70-L73 WeakPolarHBondContact O-CB 3.37Å; F70-L73 PolarHBondContact O-N 3.07Å; F70-L73 VanDerWaalsContact O-N 3.07Å; Q71-L73 VanDerWaalsContact C-N 3.25Å; Q71-L73 PolarHBondContact O-N 3.06Å; L73-K75 VanDerWaalsContact C-N 3.3Å; L73-K75 PolarHBondContact O-N 3Å; L73-K76 WeakPolarHBondContact O-CA 3.26Å; L73-K76 WeakPolarHBondContact O-CB 3.5Å; L73-K76 PolarHBondContact O-N 3.23Å; L73-I77 PolarHBondContact O-N 2.84Å
74V83.6Confident85.7Confident22 Ų2263.9 Ų63.913%0.13331%0.313CS..Hα-helixtrans-63-40.3-179-178.80000111L10 Q71 V72 K76 I77 S78L10-V74 HydrophobicContact CB-CG2 4.43Å; L10-V74 HydrophobicContact CD1-CB 3.91Å; L10-V74 HydrophobicContact CD1-CG1 3.32Å; L10-V74 HydrophobicContact CD1-CG2 3.27Å; L10-V74 HydrophobicContact CD2-CG2 3.63Å; L10-V74 HydrophobicContact CG-CG2 3.94Å; Q71-V74 WeakPolarHBondContact O-CB 3.23Å; Q71-V74 PolarHBondContact O-N 2.93Å; V72-V74 VanDerWaalsContact C-N 3.29Å; V72-V74 PolarHBondContact O-N 2.95Å; V74-K76 VanDerWaalsContact C-N 3.31Å; V74-I77 WeakPolarHBondContact O-CG1 3.28Å; V74-S78 VanDerWaalsContact O-CB 3.31Å; V74-S78 WeakPolarHBondContact O-CB 3.41Å; V74-S78 PolarHBondContact O-N 3.46Å; V74-S78 VanDerWaalsContact O-N 3.17Å; V74-S78 PolarHBondContact O-OG 3.3Å
75K85.3Confident85.2Confident140 Ų14064.1 Ų64.161%0.60931%0.314SS*.Hα-helixtrans-62.8-40.8173.7-67172.2-175.2170.40110.6Q71 V72 L73 I77 S78 Q79Q71-K75 WeakPolarHBondContact O-CG 3.45Å; Q71-K75 PolarHBondContact O-N 2.83Å; Q71-K75 VanDerWaalsContact O-N 3.13Å; V72-K75 WeakPolarHBondContact O-CB 3.43Å; V72-K75 PolarHBondContact O-N 2.86Å; L73-K75 VanDerWaalsContact C-N 3.3Å; L73-K75 PolarHBondContact O-N 3Å; K75-I77 PolarHBondContact O-N 3.43Å; K75-S78 PolarHBondContact O-N 3.02Å; K75-Q79 PolarHBondContact O-N 2.77Å
76K80.3Confident84.6Confident81 Ų8168.6 Ų68.635%0.35234%0.337SS..Hα-helixtrans-65.3-36.3-179.6-161.4168.7-172.1169.80113.5E56 V72 L73 V74E56-K76 IonicContact OE1-NZ 2.84Å; E56-K76 PolarHBondContact OE1-NZ 3.17Å; E56-K76 IonicContact OE2-NZ 3.36Å; E56-K76 PolarHBondContact OE2-NZ 2.84Å; V72-K76 PolarHBondContact O-N 3.06Å; L73-K76 WeakPolarHBondContact O-CA 3.26Å; L73-K76 WeakPolarHBondContact O-CB 3.5Å; L73-K76 PolarHBondContact O-N 3.23Å; V74-K76 VanDerWaalsContact C-N 3.31Å
77I78Confident83.9Confident54 Ų5472.2 Ų72.228%0.27735%0.35SS..Hα-helixtrans-82.8-1417663.3173.7000113.9F40 L43 L73 V74 K75F40-I77 HydrophobicContact CD1-CD1 3.88Å; F40-I77 HydrophobicContact CE1-CD1 3.33Å; F40-I77 HydrophobicContact CZ-CD1 4.01Å; L43-I77 HydrophobicContact CD1-CG2 4.19Å; L43-I77 HydrophobicContact CD2-CG2 3.75Å; L43-I77 HydrophobicContact CG-CG2 4.14Å; L73-I77 PolarHBondContact O-N 2.84Å; V74-I77 WeakPolarHBondContact O-CG1 3.28Å; K75-I77 PolarHBondContact O-N 3.43Å
78S73.7Confident83.2Confident59 Ų5973.8 Ų73.841%0.41336%0.36SS..Hα-helixtrans-93.4-12.4-178.1-64.30000113.7V74 K75V74-S78 VanDerWaalsContact O-CB 3.31Å; V74-S78 WeakPolarHBondContact O-CB 3.41Å; V74-S78 PolarHBondContact O-N 3.46Å; V74-S78 VanDerWaalsContact O-N 3.17Å; V74-S78 PolarHBondContact O-OG 3.3Å; K75-S78 PolarHBondContact O-N 3.02Å
79Q56.9Low82.4Confident238 Ų23866.4 Ų66.4100%1.11233%0.327SS*.  trans-81.80168.5-79.6-151.5-59.100111.2K75K75-Q79 PolarHBondContact O-N 2.77Å

Retrieved 79 of 79 residues in 732.3 ms (Link to these results)

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