A0A3Q0KV62_SCHMA Loading...

Putative 60s ribosomal protein L7a

AlphaFold DB , UniProt , Accession A0A3Q0KV62, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 760 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
1M57.4Low79.1Confident130 Ų13066.1 Ų66.164%0.6436%0.359SS*.  0143.30-70.2175.3-179.100107.3T3 P158M1-T3 PolarHBondContact O-N 3.31Å; M1-P158 VanDerWaalsContact CE-O 3.22Å; M1-P158 WeakPolarHBondContact CE-O 3.34Å
2S59.7Low80.3Confident46 Ų4664.1 Ų64.132%0.32235%0.347SS..  trans-56.1140.3170.840.30000108.9F4 L5S2-F4 PolarHBondContact O-N 3.49Å; S2-L5 PolarHBondContact O-N 2.99Å; S2-L5 VanDerWaalsContact O-N 3.09Å; S2-L5 WeakPolarHBondContact OG-CB 3.43Å
3T65.2Low81.4Confident134 Ų13466.2 Ų66.282%0.82235%0.353SS*.THydrogen-bonded Turntrans-55.6-29.6-171.139.60000112.9M1M1-T3 PolarHBondContact O-N 3.31Å
4F79.2Confident82.3Confident31 Ų3161.6 Ų61.614%0.13633%0.329CS..THydrogen-bonded Turntrans-10915.3-176.657.4-90.6000114.5S2 L6 D7 P11 A14 R188S2-F4 PolarHBondContact O-N 3.49Å; F4-L6 PolarHBondContact O-N 3.44Å; F4-D7 VanDerWaalsContact CA-OD2 3.23Å; F4-D7 WeakPolarHBondContact CA-OD2 3.36Å; F4-D7 HydrophobicContact CB-CB 4.45Å; F4-D7 VanDerWaalsContact CB-OD2 3.24Å; F4-D7 WeakPolarHBondContact CB-OD2 3.44Å; F4-D7 PolarHBondContact O-N 3.48Å; F4-P11 HydrophobicContact CB-CG 3.77Å; F4-P11 HydrophobicContact CD1-CG 4.09Å; F4-P11 HydrophobicContact CD2-CG 4.23Å; F4-P11 HydrophobicContact CG-CG 3.77Å; F4-A14 HydrophobicContact CD1-CB 4.38Å; F4-A14 HydrophobicContact CD2-CB 4.05Å; F4-A14 HydrophobicContact CE1-CB 3.92Å; F4-A14 HydrophobicContact CE2-CB 3.52Å; F4-A14 HydrophobicContact CG-CB 4.45Å; F4-A14 HydrophobicContact CZ-CB 3.47Å; F4-A14 VanDerWaalsContact CZ-CB 3.47Å; F4-R188 WeakPolarHBondContact CE2-O 3.38Å; F4-R188 PolarHBondContact O-NH1 3.03Å
5L82.6Confident83.2Confident4 Ų457.5 Ų57.52%0.02131%0.307CS..THydrogen-bonded Turntrans-64.6-23.2176.6-167.862000112.6S2 H125 G160 I162 R188S2-L5 PolarHBondContact O-N 2.99Å; S2-L5 VanDerWaalsContact O-N 3.09Å; S2-L5 WeakPolarHBondContact OG-CB 3.43Å; L5-H125 PolarHBondContact O-CE1 3.31Å; L5-H125 PolarHBondContact O-NE2 3.05Å; L5-G160 WeakPolarHBondContact CD2-O 3.33Å; L5-I162 HydrophobicContact CD1-CD1 4.06Å; L5-R188 HydrophobicContact CD1-CB 4.23Å
6L86.1Confident84Confident49 Ų4954.4 Ų54.426%0.25729%0.29SS..THydrogen-bonded Turntrans-104.22.8-174.3-58.8179.6000113F4 I130 L133 K134F4-L6 PolarHBondContact O-N 3.44Å; L6-I130 WeakPolarHBondContact O-CG2 3.34Å; L6-L133 HydrophobicContact CD2-CB 3.74Å; L6-K134 HydrophobicContact CB-CG 4.48Å; L6-K134 HydrophobicContact CD1-CG 4.29Å; L6-K134 HydrophobicContact CD2-CG 4.17Å; L6-K134 WeakPolarHBondContact O-CE 3.24Å; L6-K134 PolarHBondContact O-NZ 3.29Å
7D85.7Confident84.8Confident75 Ų7551.2 Ų51.240%0.40127%0.273SS..  trans-87137.3-178.8-62.5-15.1000110.2F4 E9 I130 R188F4-D7 VanDerWaalsContact CA-OD2 3.23Å; F4-D7 WeakPolarHBondContact CA-OD2 3.36Å; F4-D7 HydrophobicContact CB-CB 4.45Å; F4-D7 VanDerWaalsContact CB-OD2 3.24Å; F4-D7 WeakPolarHBondContact CB-OD2 3.44Å; F4-D7 PolarHBondContact O-N 3.48Å; D7-E9 WeakPolarHBondContact CB-O 3.45Å; D7-E9 PolarHBondContact O-N 3.13Å; D7-I130 WeakPolarHBondContact O-CD1 3.3Å; D7-R188 PolarHBondContact O-NH1 2.83Å; D7-R188 PolarHBondContact O-NH2 2.97Å; D7-R188 VanDerWaalsContact O-NH2 3.11Å
8D84.1Confident85.4Confident90 Ų9048.4 Ų48.448%0.48126%0.258SS..SBendtrans-65.1-28.5-177.9-68.3-21.3000112.1R126D8-R126 WeakPolarHBondContact O-CD 3.31Å
9E87.1Confident85.8Confident123 Ų12346.2 Ų46.258%0.57525%0.246SC*.SBendtrans-119144.8176.7-164.7178.7167.900110.5D7 R45D7-E9 WeakPolarHBondContact CB-O 3.45Å; D7-E9 PolarHBondContact O-N 3.13Å; E9-R45 IonicContact OE1-CZ 3.71Å; E9-R45 VanDerWaalsContact OE1-CZ 3.23Å; E9-R45 IonicContact OE1-NH1 3.96Å; E9-R45 PolarHBondContact OE1-NH1 3.23Å; E9-R45 IonicContact OE1-NH2 3.64Å
10V89.6Confident86Confident7 Ų745.5 Ų45.54%0.04224%0.24CC..  trans-77.4125.4174.8-177.60000108.3A14 V15 R45 V103 R188V10-A14 HydrophobicContact CG1-CB 3.64Å; V10-V15 HydrophobicContact CB-CG2 4.33Å; V10-V15 HydrophobicContact CG1-CG2 3.78Å; V10-R45 PolarHBondContact O-NH2 2.8Å; V10-V103 HydrophobicContact CG2-CG1 3.69Å; V10-R188 HydrophobicContact CG2-CG 4.13Å; V10-R188 VanDerWaalsContact CG2-NE 3.32Å
11P92.7Very high85.8Confident38 Ų3844.5 Ų44.525%0.24723%0.233CC..  trans-60.8149.4176.824.2-31.8000110.6F4 E13 A14 V15F4-P11 HydrophobicContact CB-CG 3.77Å; F4-P11 HydrophobicContact CD1-CG 4.09Å; F4-P11 HydrophobicContact CD2-CG 4.23Å; F4-P11 HydrophobicContact CG-CG 3.77Å; P11-E13 WeakPolarHBondContact CB-OE2 3.4Å; P11-E13 PolarHBondContact O-N 3.04Å; P11-E13 VanDerWaalsContact O-N 3.15Å; P11-A14 HydrophobicContact CG-CB 3.77Å; P11-A14 PolarHBondContact O-N 3.04Å; P11-V15 PolarHBondContact O-N 3.4Å
12I94.2Very high86.6Confident42 Ų4243.4 Ų43.422%0.21522%0.222CC..G310 helixtrans-54.4-38.3-176.2-70.2175.3000110.6A14 V15 I38 E41 R45I12-A14 VanDerWaalsContact C-N 3.28Å; I12-A14 PolarHBondContact O-N 3.34Å; I12-V15 PolarHBondContact O-N 2.93Å; I12-I38 HydrophobicContact CG2-CB 4.36Å; I12-I38 HydrophobicContact CG2-CG1 4.28Å; I12-I38 HydrophobicContact CG2-CG2 4.03Å; I12-E41 HydrophobicContact CB-CG 4.25Å; I12-E41 HydrophobicContact CG1-CG 4.07Å; I12-E41 HydrophobicContact CG2-CB 4.02Å; I12-E41 HydrophobicContact CG2-CG 3.86Å; I12-R45 VanDerWaalsContact CG1-CZ 3.45Å
13E94.5Very high86.8Confident91 Ų9143.8 Ų43.843%0.42523%0.225SC..G310 helixtrans-67.4-27.3-179.1-56.277.2-169.800112.5P11 P193 A194P11-E13 WeakPolarHBondContact CB-OE2 3.4Å; P11-E13 PolarHBondContact O-N 3.04Å; P11-E13 VanDerWaalsContact O-N 3.15Å; E13-P193 HydrophobicContact CB-CB 4.19Å; E13-P193 CarbonylContact O-C 3.55Å; E13-P193 WeakPolarHBondContact O-CA 3.5Å; E13-A194 HydrophobicContact CB-CB 4.47Å; E13-A194 PolarHBondContact O-N 3.3Å
14A93.9Very high86.5Confident3 Ų339.7 Ų39.73%0.02521%0.209CC..G310 helixtrans-82-18.5177.800000112.8F4 V10 P11 I12 G189 F190F4-A14 HydrophobicContact CD1-CB 4.38Å; F4-A14 HydrophobicContact CD2-CB 4.05Å; F4-A14 HydrophobicContact CE1-CB 3.92Å; F4-A14 HydrophobicContact CE2-CB 3.52Å; F4-A14 HydrophobicContact CG-CB 4.45Å; F4-A14 HydrophobicContact CZ-CB 3.47Å; F4-A14 VanDerWaalsContact CZ-CB 3.47Å; V10-A14 HydrophobicContact CG1-CB 3.64Å; P11-A14 HydrophobicContact CG-CB 3.77Å; P11-A14 PolarHBondContact O-N 3.04Å; I12-A14 VanDerWaalsContact C-N 3.28Å; I12-A14 PolarHBondContact O-N 3.34Å; A14-G189 CarbonylContact O-C 3.47Å; A14-G189 VanDerWaalsContact O-CA 3.22Å; A14-G189 WeakPolarHBondContact O-CA 3.38Å; A14-F190 PolarHBondContact O-N 2.63Å
15V95.3Very high85.8Confident0 Ų041.9 Ų41.90%024%0.24CC..  trans-78.1138.6177-176.20000109.9V10 P11 I12 E41 R101V10-V15 HydrophobicContact CB-CG2 4.33Å; V10-V15 HydrophobicContact CG1-CG2 3.78Å; P11-V15 PolarHBondContact O-N 3.4Å; I12-V15 PolarHBondContact O-N 2.93Å; V15-E41 HydrophobicContact CB-CG 4.25Å; V15-E41 HydrophobicContact CG1-CG 4.44Å; V15-E41 WeakPolarHBondContact CG1-OE2 3.35Å; V15-E41 HydrophobicContact CG2-CG 4.42Å; V15-R101 HydrophobicContact CG1-CG 3.93Å
16R96.4Very high85.3Confident7 Ų746.4 Ų46.43%0.02627%0.268CS..EExtended strand (participates in β ladder)trans-123.2128.9172.8-165.259.157.7-153.5-4110.2L18 P31 F32 S37 A102 F105 F190 R192 P193R16-L18 WeakPolarHBondContact O-CD1 3.25Å; R16-P31 HydrophobicContact CG-CB 3.61Å; R16-F32 WeakPolarHBondContact CD-O 3.34Å; R16-S37 VanDerWaalsContact CD-OG 3.25Å; R16-S37 WeakPolarHBondContact CD-OG 3.1Å; R16-S37 PolarHBondContact NH1-OG 3.33Å; R16-A102 PolarHBondContact N-O 2.81Å; R16-A102 PolarHBondContact O-N 3.37Å; R16-F105 HydrophobicContact CB-CE1 4.34Å; R16-F105 HydrophobicContact CB-CZ 3.76Å; R16-F190 HydrophobicContact CB-CB 3.82Å; R16-F190 HydrophobicContact CB-CD1 4.41Å; R16-F190 HydrophobicContact CB-CD2 3.99Å; R16-F190 HydrophobicContact CB-CG 3.83Å; R16-F190 HydrophobicContact CG-CB 4.48Å; R16-F190 HydrophobicContact CG-CD1 4.15Å; R16-F190 HydrophobicContact CG-CD2 4.07Å; R16-F190 HydrophobicContact CG-CE1 4.4Å; R16-F190 HydrophobicContact CG-CE2 4.32Å; R16-F190 HydrophobicContact CG-CG 3.99Å; R16-F190 HydrophobicContact CG-CZ 4.48Å; R16-R192 PolarHBondContact NH2-O 2.95Å; R16-P193 VanDerWaalsContact NH2-C 3.35Å
17W97.1Very high84.7Confident0 Ų047.3 Ų47.30%028%0.279CS..EExtended strand (participates in β ladder)trans-87.4140.4168.3-72.577.2000108.7F32 L40 E41 Y44 M70 F73 V99 V100 R101W17-F32 HydrophobicContact CB-CD2 3.73Å; W17-F32 HydrophobicContact CB-CE2 4.32Å; W17-F32 WeakPolarHBondContact O-CD2 3.45Å; W17-F32 PolarHBondContact O-N 3.41Å; W17-L40 HydrophobicContact CB-CB 4.37Å; W17-L40 HydrophobicContact CB-CD1 3.63Å; W17-L40 HydrophobicContact CD2-CB 3.71Å; W17-L40 HydrophobicContact CD2-CD1 4.17Å; W17-L40 HydrophobicContact CE3-CB 4.32Å; W17-L40 HydrophobicContact CE3-CD1 4.38Å; W17-L40 HydrophobicContact CG-CB 3.69Å; W17-L40 HydrophobicContact CG-CD1 3.85Å; W17-L40 HydrophobicContact CG-CG 4.44Å; W17-E41 PolarHBondContact NE1-OE2 3.3Å; W17-E41 VanDerWaalsContact NE1-OE2 3.08Å; W17-Y44 AromaticContact CH2-CD2 3.81Å; W17-Y44 HydrophobicContact CH2-CD2 3.81Å; W17-Y44 HydrophobicContact CH2-CG 4.06Å; W17-Y44 HydrophobicContact CZ2-CD2 4.01Å; W17-Y44 AromaticContact CZ2-CG 3.77Å; W17-Y44 HydrophobicContact CZ2-CG 3.77Å; W17-M70 HydrophobicContact CH2-CE 3.84Å; W17-M70 HydrophobicContact CZ2-CE 4.25Å; W17-M70 HydrophobicContact CZ3-CE 4.39Å; W17-F73 HydrophobicContact CH2-CD1 4.33Å; W17-F73 AromaticContact CH2-CE1 3.83Å; W17-F73 HydrophobicContact CH2-CE1 3.83Å; W17-F73 AromaticContact CZ3-CD1 3.93Å; W17-F73 HydrophobicContact CZ3-CD1 3.93Å; W17-F73 AromaticContact CZ3-CE1 3.91Å; W17-F73 HydrophobicContact CZ3-CE1 3.91Å; W17-V99 HydrophobicContact CE3-CG1 3.52Å; W17-V99 HydrophobicContact CZ3-CG1 3.97Å; W17-V100 WeakPolarHBondContact CA-O 3.13Å; W17-R101 HydrophobicContact CD2-CB 4.18Å; W17-R101 HydrophobicContact CD2-CG 4.49Å; W17-R101 HydrophobicContact CE3-CB 4.17Å; W17-R101 HydrophobicContact CH2-CB 3.8Å; W17-R101 HydrophobicContact CH2-CG 4.34Å; W17-R101 HydrophobicContact CZ2-CB 3.76Å; W17-R101 HydrophobicContact CZ2-CG 3.81Å; W17-R101 HydrophobicContact CZ3-CB 4Å
18L95.8Very high84.8Confident1 Ų146.2 Ų46.21%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-130.8149.1179.6-5695.1000110.6R16 W29 K30 P31 V99 V100 A102 F105 P112R16-L18 WeakPolarHBondContact O-CD1 3.25Å; L18-W29 HydrophobicContact CB-CB 4.24Å; L18-W29 HydrophobicContact CB-CE3 4.01Å; L18-W29 HydrophobicContact CD2-CB 3.91Å; L18-K30 CarbonylContact C-O 3.47Å; L18-K30 WeakPolarHBondContact CA-O 3.3Å; L18-K30 WeakPolarHBondContact CB-O 3.26Å; L18-P31 HydrophobicContact CD2-CB 4.34Å; L18-P31 HydrophobicContact CG-CB 4.37Å; L18-V99 CarbonylContact O-C 3.58Å; L18-V99 VanDerWaalsContact O-CA 3.26Å; L18-V99 WeakPolarHBondContact O-CA 3.13Å; L18-V100 HydrophobicContact CB-CG1 4Å; L18-V100 HydrophobicContact CD1-CG1 4.29Å; L18-V100 PolarHBondContact N-O 3.09Å; L18-V100 PolarHBondContact O-N 2.93Å; L18-A102 HydrophobicContact CD1-CB 3.34Å; L18-F105 HydrophobicContact CD1-CE1 4.05Å; L18-P112 HydrophobicContact CD1-CB 4.34Å; L18-P112 HydrophobicContact CD1-CG 4.35Å; L18-P112 HydrophobicContact CD2-CG 4.28Å
19Y93.4Very high85.1Confident7 Ų745 Ų453%0.02726%0.263CS..EExtended strand (participates in β ladder)trans-117.2149.7172.968.1-80.9000111.2R21 K30 F32 R62 Q98Y19-R21 HydrophobicContact CE2-CB 4.36Å; Y19-K30 HydrophobicContact CD1-CB 4.28Å; Y19-K30 VanDerWaalsContact CD1-O 3.29Å; Y19-K30 WeakPolarHBondContact CD1-O 3.45Å; Y19-K30 HydrophobicContact CE1-CB 3.71Å; Y19-K30 HydrophobicContact CE2-CB 4.27Å; Y19-K30 PolarHBondContact N-O 2.91Å; Y19-K30 PolarHBondContact O-N 3.12Å; Y19-F32 AromaticContact CD1-CD1 3.98Å; Y19-F32 HydrophobicContact CD1-CD1 3.98Å; Y19-F32 HydrophobicContact CD1-CD2 4.22Å; Y19-F32 AromaticContact CD1-CE1 3.77Å; Y19-F32 HydrophobicContact CD1-CE1 3.77Å; Y19-F32 HydrophobicContact CD1-CE2 4.01Å; Y19-F32 HydrophobicContact CD1-CG 4.21Å; Y19-F32 AromaticContact CD1-CZ 3.79Å; Y19-F32 HydrophobicContact CD1-CZ 3.79Å; Y19-F32 HydrophobicContact CE1-CD1 4.42Å; Y19-F32 HydrophobicContact CE1-CE1 4.47Å; Y19-F32 HydrophobicContact CG-CE1 4.3Å; Y19-F32 HydrophobicContact CG-CE2 4.4Å; Y19-F32 HydrophobicContact CG-CZ 4.03Å; Y19-R62 VanDerWaalsContact CE2-CZ 3.49Å; Y19-R62 PolarHBondContact OH-NH2 3.25Å; Y19-Q98 CarbonylContact C-O 3.57Å; Y19-Q98 VanDerWaalsContact CA-O 3.29Å; Y19-Q98 WeakPolarHBondContact CA-O 3.45Å
20F89.7Confident85.3Confident31 Ų3142.7 Ų42.714%0.13625%0.251CS..EExtended strand (participates in β ladder)trans-82.9118.5-176.1-168.7-89.4000110.9R22 W29 T97 Q98F20-R22 HydrophobicContact CD1-CG 4.28Å; F20-R22 VanDerWaalsContact CD1-NH1 3.28Å; F20-R22 HydrophobicContact CE1-CG 3.77Å; F20-W29 HydrophobicContact CB-CE3 4.11Å; F20-W29 HydrophobicContact CB-CH2 4.14Å; F20-W29 HydrophobicContact CB-CZ3 3.83Å; F20-W29 HydrophobicContact CD2-CD2 4.15Å; F20-W29 AromaticContact CD2-CE2 3.92Å; F20-W29 HydrophobicContact CD2-CE3 4.42Å; F20-W29 HydrophobicContact CD2-CH2 4.28Å; F20-W29 AromaticContact CD2-CZ2 3.99Å; F20-W29 HydrophobicContact CD2-CZ2 3.99Å; F20-W29 HydrophobicContact CD2-CZ3 4.48Å; F20-T97 VanDerWaalsContact O-CB 3.23Å; F20-T97 WeakPolarHBondContact O-CB 3.45Å; F20-T97 WeakPolarHBondContact O-CG2 3.49Å; F20-Q98 HydrophobicContact CB-CB 4.23Å; F20-Q98 PolarHBondContact N-O 3.46Å
21R82.2Confident85.6Confident25 Ų2544.8 Ų44.89%0.09427%0.265CS..EExtended strand (participates in β ladder)trans-109.4134.1178.8-173.4174.9177160.6-3111.7Y19 S27 T28 K30 D632 D634Y19-R21 HydrophobicContact CE2-CB 4.36Å; R21-S27 VanDerWaalsContact O-CA 3.32Å; R21-S27 WeakPolarHBondContact O-CA 3.18Å; R21-T28 PolarHBondContact N-O 2.66Å; R21-T28 PolarHBondContact O-N 3.43Å; R21-K30 HydrophobicContact CB-CD 4.48Å; R21-K30 HydrophobicContact CB-CG 4.21Å; R21-D632 HydrophobicContact CG-CB 4.46Å; R21-D632 PolarHBondContact NE-O 2.8Å; R21-D632 PolarHBondContact NH2-O 2.63Å; R21-D634 PolarHBondContact NH1-O 3.34Å
22R73.1Confident85.7Confident107 Ų10743.2 Ų43.240%0.40425%0.254SS..EExtended strand (participates in β ladder)trans-106.3119.7165.6-68.8-179.217068.87.8109F20 D632F20-R22 HydrophobicContact CD1-CG 4.28Å; F20-R22 VanDerWaalsContact CD1-NH1 3.28Å; F20-R22 HydrophobicContact CE1-CG 3.77Å; R22-D632 PolarHBondContact O-N 3.17Å
23S64.9Low85.7Confident55 Ų5541.5 Ų41.539%0.38525%0.246SC..EExtended strand (participates in β ladder)trans-142.4121.1176.4-175.90000110.1G25 V26S23-G25 VanDerWaalsContact C-N 3.31Å; S23-G25 PolarHBondContact O-N 3.2Å; S23-V26 PolarHBondContact N-O 3.24Å; S23-V26 PolarHBondContact O-N 3.11Å
24G58.6Low85.8Confident48 Ų4837.2 Ų37.250%0.49523%0.226SC..THydrogen-bonded Turntrans58.138.9172.600000114.3V26G24-V26 PolarHBondContact O-N 2.85Å
25G65.2Low85.9Confident76 Ų7638.9 Ų38.978%0.78423%0.232SC*.THydrogen-bonded Turntrans78.5-8.6-177.800000115.4S23S23-G25 VanDerWaalsContact C-N 3.31Å; S23-G25 PolarHBondContact O-N 3.2Å
26V71.3Confident85.9Confident100 Ų10039.1 Ų39.161%0.60623%0.234SC*.EExtended strand (participates in β ladder)trans-98.2128.3174.5-175.30000109.2S23 G24S23-V26 PolarHBondContact N-O 3.24Å; S23-V26 PolarHBondContact O-N 3.11Å; G24-V26 PolarHBondContact O-N 2.85Å
27S74.2Confident86Confident68 Ų6838.8 Ų38.848%0.47623%0.232SC..EExtended strand (participates in β ladder)trans-109.2124.9174.3640000110.8R21R21-S27 VanDerWaalsContact O-CA 3.32Å; R21-S27 WeakPolarHBondContact O-CA 3.18Å
28T86.7Confident86Confident51 Ų5139.9 Ų39.931%0.31324%0.238SC..EExtended strand (participates in β ladder)trans-146.5154.9-179.1-168.30000111.2R21R21-T28 PolarHBondContact N-O 2.66Å; R21-T28 PolarHBondContact O-N 3.43Å
29W90.8Very high86Confident65 Ų6543.1 Ų43.125%0.24625%0.25CC..EExtended strand (participates in β ladder)trans-73.2139.4169-67.7105.5000110.2L18 F20 Q98 V100 L111 P112L18-W29 HydrophobicContact CB-CB 4.24Å; L18-W29 HydrophobicContact CB-CE3 4.01Å; L18-W29 HydrophobicContact CD2-CB 3.91Å; F20-W29 HydrophobicContact CB-CE3 4.11Å; F20-W29 HydrophobicContact CB-CH2 4.14Å; F20-W29 HydrophobicContact CB-CZ3 3.83Å; F20-W29 HydrophobicContact CD2-CD2 4.15Å; F20-W29 AromaticContact CD2-CE2 3.92Å; F20-W29 HydrophobicContact CD2-CE3 4.42Å; F20-W29 HydrophobicContact CD2-CH2 4.28Å; F20-W29 AromaticContact CD2-CZ2 3.99Å; F20-W29 HydrophobicContact CD2-CZ2 3.99Å; F20-W29 HydrophobicContact CD2-CZ3 4.48Å; W29-Q98 HydrophobicContact CH2-CB 4.12Å; W29-Q98 WeakPolarHBondContact CZ3-O 3.2Å; W29-V100 HydrophobicContact CD2-CG1 3.91Å; W29-V100 HydrophobicContact CE3-CB 4.45Å; W29-V100 HydrophobicContact CE3-CG1 3.53Å; W29-V100 HydrophobicContact CH2-CB 3.76Å; W29-V100 HydrophobicContact CH2-CG1 3.69Å; W29-V100 HydrophobicContact CZ2-CB 4.31Å; W29-V100 HydrophobicContact CZ2-CG1 4.05Å; W29-V100 HydrophobicContact CZ3-CB 3.83Å; W29-V100 HydrophobicContact CZ3-CG1 3.41Å; W29-V100 VanDerWaalsContact CZ3-CG1 3.41Å; W29-L111 HydrophobicContact CB-CD2 4.4Å; W29-P112 HydrophobicContact CB-CG 4.14Å; W29-P112 HydrophobicContact CD2-CG 4.47Å; W29-P112 HydrophobicContact CG-CG 3.86Å
30K92.2Very high86.2Confident75 Ų7542.8 Ų42.833%0.32625%0.249SC..EExtended strand (participates in β ladder)trans-122.7132171.7-75.8-151.5166.9-165.50110.2L18 Y19 R21L18-K30 CarbonylContact C-O 3.47Å; L18-K30 WeakPolarHBondContact CA-O 3.3Å; L18-K30 WeakPolarHBondContact CB-O 3.26Å; Y19-K30 HydrophobicContact CD1-CB 4.28Å; Y19-K30 VanDerWaalsContact CD1-O 3.29Å; Y19-K30 WeakPolarHBondContact CD1-O 3.45Å; Y19-K30 HydrophobicContact CE1-CB 3.71Å; Y19-K30 HydrophobicContact CE2-CB 4.27Å; Y19-K30 PolarHBondContact N-O 2.91Å; Y19-K30 PolarHBondContact O-N 3.12Å; R21-K30 HydrophobicContact CB-CD 4.48Å; R21-K30 HydrophobicContact CB-CG 4.21Å
31P94.6Very high86.5Confident50 Ų5041.3 Ų41.333%0.32524%0.242SC..EExtended strand (participates in β ladder)trans-67.4145.417530.4-34.7000110.7R16 L18 F190R16-P31 HydrophobicContact CG-CB 3.61Å; L18-P31 HydrophobicContact CD2-CB 4.34Å; L18-P31 HydrophobicContact CG-CB 4.37Å; P31-F190 HydrophobicContact CB-CZ 4.13Å; P31-F190 HydrophobicContact CG-CZ 4.08Å
32F95.6Very high87.2Confident6 Ų642.3 Ų42.33%0.02625%0.251CS..PPolyproline II helixtrans-72159.8159.8-68.9-81.1000109.8R16 W17 Y19 D36 S37 L40 V61 R62 V68 C75 V99R16-F32 WeakPolarHBondContact CD-O 3.34Å; W17-F32 HydrophobicContact CB-CD2 3.73Å; W17-F32 HydrophobicContact CB-CE2 4.32Å; W17-F32 WeakPolarHBondContact O-CD2 3.45Å; W17-F32 PolarHBondContact O-N 3.41Å; Y19-F32 AromaticContact CD1-CD1 3.98Å; Y19-F32 HydrophobicContact CD1-CD1 3.98Å; Y19-F32 HydrophobicContact CD1-CD2 4.22Å; Y19-F32 AromaticContact CD1-CE1 3.77Å; Y19-F32 HydrophobicContact CD1-CE1 3.77Å; Y19-F32 HydrophobicContact CD1-CE2 4.01Å; Y19-F32 HydrophobicContact CD1-CG 4.21Å; Y19-F32 AromaticContact CD1-CZ 3.79Å; Y19-F32 HydrophobicContact CD1-CZ 3.79Å; Y19-F32 HydrophobicContact CE1-CD1 4.42Å; Y19-F32 HydrophobicContact CE1-CE1 4.47Å; Y19-F32 HydrophobicContact CG-CE1 4.3Å; Y19-F32 HydrophobicContact CG-CE2 4.4Å; Y19-F32 HydrophobicContact CG-CZ 4.03Å; F32-D36 HydrophobicContact CB-CB 3.93Å; F32-D36 HydrophobicContact CD1-CB 4.4Å; F32-D36 HydrophobicContact CG-CB 4.44Å; F32-S37 PolarHBondContact O-OG 3.2Å; F32-L40 HydrophobicContact CD2-CD1 3.82Å; F32-L40 HydrophobicContact CE2-CD1 3.93Å; F32-L40 HydrophobicContact CG-CD1 4.26Å; F32-L40 HydrophobicContact CZ-CD1 4.44Å; F32-V61 HydrophobicContact CD1-CB 4.11Å; F32-V61 HydrophobicContact CD1-CG2 4.44Å; F32-V61 HydrophobicContact CE1-CB 3.86Å; F32-V61 HydrophobicContact CE1-CG1 4.34Å; F32-V61 HydrophobicContact CE1-CG2 3.69Å; F32-V61 HydrophobicContact CZ-CG2 4.33Å; F32-R62 HydrophobicContact CD1-CG 3.82Å; F32-R62 HydrophobicContact CE1-CG 3.57Å; F32-V68 HydrophobicContact CZ-CG2 3.94Å; F32-C75 HydrophobicContact CZ-CB 4.47Å; F32-V99 HydrophobicContact CE2-CG1 3.95Å; F32-V99 HydrophobicContact CE2-CG2 4.11Å; F32-V99 HydrophobicContact CZ-CG2 4.01Å
33C94.2Very high88.3Confident5 Ų537.2 Ų37.23%0.03423%0.232CC..PPolyproline II helixtrans-59.8167.2171.6750000111.7Y35 D36 S37 D198C33-Y35 PolarHBondContact O-N 3.17Å; C33-D36 PolarHBondContact O-N 2.92Å; C33-D36 PolarHBondContact SG-N 3.34Å; C33-S37 WeakPolarHBondContact O-CB 2.95Å; C33-S37 PolarHBondContact O-N 3.21Å; C33-S37 PolarHBondContact O-OG 3.48Å; C33-D198 WeakPolarHBondContact CB-OD2 3.27Å; C33-D198 PolarHBondContact SG-O 3.47Å
34G95.5Very high89.7Confident2 Ų238.1 Ų38.12%0.02123%0.227CC..Hα-helixtrans-47.7-58.6176.200000112.3D36 S37 I38 E195 D198G34-D36 PolarHBondContact O-N 3.36Å; G34-S37 PolarHBondContact O-N 2.82Å; G34-I38 WeakPolarHBondContact O-CG1 3.39Å; G34-I38 PolarHBondContact O-N 2.95Å; G34-E195 CarbonylContact C-O 3.49Å; G34-E195 VanDerWaalsContact C-O 3.3Å; G34-D198 PolarHBondContact N-OD2 3.43Å
35Y96Very high91.4Very high38 Ų3838 Ų3815%0.14921%0.212CC..Hα-helixtrans-55.9-49.6-177.3176.2-103.9000113.1C33 S37 I38 R39 E195 T196 D198 R199C33-Y35 PolarHBondContact O-N 3.17Å; Y35-S37 PolarHBondContact O-N 3.25Å; Y35-I38 PolarHBondContact O-N 3.22Å; Y35-R39 WeakPolarHBondContact O-CG 3.37Å; Y35-R39 PolarHBondContact O-N 3.48Å; Y35-E195 PolarHBondContact N-O 3.04Å; Y35-E195 VanDerWaalsContact N-O 3.09Å; Y35-T196 WeakPolarHBondContact CD2-O 3.3Å; Y35-D198 VanDerWaalsContact CB-O 3.27Å; Y35-D198 WeakPolarHBondContact CB-O 3.15Å; Y35-R199 HydrophobicContact CD1-CB 4.09Å; Y35-R199 HydrophobicContact CD1-CG 3.82Å; Y35-R199 HydrophobicContact CD2-CB 3.81Å; Y35-R199 HydrophobicContact CD2-CG 4.06Å; Y35-R199 HydrophobicContact CE1-CG 3.84Å; Y35-R199 HydrophobicContact CE2-CB 4.3Å; Y35-R199 HydrophobicContact CE2-CG 4.1Å; Y35-R199 HydrophobicContact CG-CB 3.69Å; Y35-R199 HydrophobicContact CG-CG 3.92Å; Y35-R199 PolarHBondContact OH-NH1 3.42Å
36D96.7Very high92.8Very high5 Ų537.8 Ų37.83%0.02719%0.191CC..Hα-helixtrans-65-41-180-77.9-11.1000111.5F32 C33 G34 I38 R39 L40 V61 R62F32-D36 HydrophobicContact CB-CB 3.93Å; F32-D36 HydrophobicContact CD1-CB 4.4Å; F32-D36 HydrophobicContact CG-CB 4.44Å; C33-D36 PolarHBondContact O-N 2.92Å; C33-D36 PolarHBondContact SG-N 3.34Å; G34-D36 PolarHBondContact O-N 3.36Å; D36-I38 PolarHBondContact O-N 3.33Å; D36-R39 PolarHBondContact O-N 2.89Å; D36-R39 IonicContact OD1-NH1 3.44Å; D36-L40 WeakPolarHBondContact O-CB 3.3Å; D36-L40 VanDerWaalsContact O-CG 3.24Å; D36-L40 WeakPolarHBondContact O-CG 3.12Å; D36-L40 PolarHBondContact O-N 2.93Å; D36-V61 HydrophobicContact CB-CB 4.4Å; D36-V61 HydrophobicContact CB-CG1 4.06Å; D36-V61 WeakPolarHBondContact OD2-CA 3.14Å; D36-V61 WeakPolarHBondContact OD2-CB 3.36Å; D36-R62 PolarHBondContact OD2-N 2.78Å
37S97.2Very high93.9Very high0 Ų036.4 Ų36.40%018%0.175CC..Hα-helixtrans-66.1-38.5-178.9-56.80000112.6R16 F32 C33 G34 Y35 E41R16-S37 VanDerWaalsContact CD-OG 3.25Å; R16-S37 WeakPolarHBondContact CD-OG 3.1Å; R16-S37 PolarHBondContact NH1-OG 3.33Å; F32-S37 PolarHBondContact O-OG 3.2Å; C33-S37 WeakPolarHBondContact O-CB 2.95Å; C33-S37 PolarHBondContact O-N 3.21Å; C33-S37 PolarHBondContact O-OG 3.48Å; G34-S37 PolarHBondContact O-N 2.82Å; Y35-S37 PolarHBondContact O-N 3.25Å; S37-E41 VanDerWaalsContact O-CB 3.29Å; S37-E41 WeakPolarHBondContact O-CB 3.36Å; S37-E41 PolarHBondContact O-N 2.67Å
38I97Very high94.6Very high23 Ų2341.8 Ų41.812%0.11819%0.186CC..Hα-helixtrans-62.1-49.5175.5-68.8168.4000109.4I12 G34 Y35 D36 L40 E41 T42 A194 T196I12-I38 HydrophobicContact CG2-CB 4.36Å; I12-I38 HydrophobicContact CG2-CG1 4.28Å; I12-I38 HydrophobicContact CG2-CG2 4.03Å; G34-I38 WeakPolarHBondContact O-CG1 3.39Å; G34-I38 PolarHBondContact O-N 2.95Å; Y35-I38 PolarHBondContact O-N 3.22Å; D36-I38 PolarHBondContact O-N 3.33Å; I38-L40 VanDerWaalsContact C-N 3.34Å; I38-L40 PolarHBondContact O-N 3.29Å; I38-E41 PolarHBondContact O-N 3Å; I38-E41 VanDerWaalsContact O-N 3.16Å; I38-T42 WeakPolarHBondContact O-CB 3.47Å; I38-T42 PolarHBondContact O-N 3.08Å; I38-T42 PolarHBondContact O-OG1 3.28Å; I38-T42 VanDerWaalsContact O-OG1 3.04Å; I38-A194 HydrophobicContact CD1-CB 3.79Å; I38-A194 HydrophobicContact CG1-CB 3.52Å; I38-T196 HydrophobicContact CD1-CG2 3.69Å
39R96.7Very high94.8Very high68 Ų6845.2 Ų45.226%0.25720%0.202SC..Hα-helixtrans-61.6-41.5-179.7-71.417261.3-137.30.3112.6Y35 D36 A43 I59 T60Y35-R39 WeakPolarHBondContact O-CG 3.37Å; Y35-R39 PolarHBondContact O-N 3.48Å; D36-R39 PolarHBondContact O-N 2.89Å; D36-R39 IonicContact OD1-NH1 3.44Å; R39-A43 WeakPolarHBondContact O-CB 3.41Å; R39-A43 PolarHBondContact O-N 3Å; R39-I59 HydrophobicContact CB-CG2 4Å; R39-T60 PolarHBondContact NH1-O 3.11Å; R39-T60 PolarHBondContact NH2-O 3.45Å; R39-T60 PolarHBondContact NH2-OG1 3.45Å
40L97.1Very high94.9Very high0 Ų044.7 Ų44.70%022%0.217CC..Hα-helixtrans-63.9-42.9174.5-70.7170.4000111.8W17 F32 D36 I38 A43 Y44 I59 V61 V68 M70W17-L40 HydrophobicContact CB-CB 4.37Å; W17-L40 HydrophobicContact CB-CD1 3.63Å; W17-L40 HydrophobicContact CD2-CB 3.71Å; W17-L40 HydrophobicContact CD2-CD1 4.17Å; W17-L40 HydrophobicContact CE3-CB 4.32Å; W17-L40 HydrophobicContact CE3-CD1 4.38Å; W17-L40 HydrophobicContact CG-CB 3.69Å; W17-L40 HydrophobicContact CG-CD1 3.85Å; W17-L40 HydrophobicContact CG-CG 4.44Å; F32-L40 HydrophobicContact CD2-CD1 3.82Å; F32-L40 HydrophobicContact CE2-CD1 3.93Å; F32-L40 HydrophobicContact CG-CD1 4.26Å; F32-L40 HydrophobicContact CZ-CD1 4.44Å; D36-L40 WeakPolarHBondContact O-CB 3.3Å; D36-L40 VanDerWaalsContact O-CG 3.24Å; D36-L40 WeakPolarHBondContact O-CG 3.12Å; D36-L40 PolarHBondContact O-N 2.93Å; I38-L40 VanDerWaalsContact C-N 3.34Å; I38-L40 PolarHBondContact O-N 3.29Å; L40-A43 PolarHBondContact O-N 3.42Å; L40-Y44 VanDerWaalsContact O-CB 3.3Å; L40-Y44 WeakPolarHBondContact O-CB 3.22Å; L40-Y44 PolarHBondContact O-N 2.67Å; L40-I59 HydrophobicContact CD2-CB 3.76Å; L40-I59 HydrophobicContact CD2-CG1 4.1Å; L40-I59 HydrophobicContact CD2-CG2 4.04Å; L40-I59 HydrophobicContact CG-CG2 4.39Å; L40-V61 HydrophobicContact CD1-CG1 4.13Å; L40-V61 HydrophobicContact CD2-CG1 4.26Å; L40-V61 HydrophobicContact CG-CG1 4.24Å; L40-V68 HydrophobicContact CD1-CG2 4.28Å; L40-V68 HydrophobicContact CD2-CB 3.61Å; L40-V68 HydrophobicContact CD2-CG1 3.91Å; L40-V68 HydrophobicContact CD2-CG2 3.76Å; L40-M70 HydrophobicContact CD2-SD 3.59Å; L40-M70 VanDerWaalsContact CD2-SD 3.59Å; L40-M70 WeakPolarHBondContact O-CE 2.97Å
41E96.9Very high94.8Very high0 Ų042.9 Ų42.90%021%0.214CC..Hα-helixtrans-67.5-41.8178.7-178.263.1-174.500112I12 V15 W17 S37 I38 Y44 R45 R101I12-E41 HydrophobicContact CB-CG 4.25Å; I12-E41 HydrophobicContact CG1-CG 4.07Å; I12-E41 HydrophobicContact CG2-CB 4.02Å; I12-E41 HydrophobicContact CG2-CG 3.86Å; V15-E41 HydrophobicContact CB-CG 4.25Å; V15-E41 HydrophobicContact CG1-CG 4.44Å; V15-E41 WeakPolarHBondContact CG1-OE2 3.35Å; V15-E41 HydrophobicContact CG2-CG 4.42Å; W17-E41 PolarHBondContact NE1-OE2 3.3Å; W17-E41 VanDerWaalsContact NE1-OE2 3.08Å; S37-E41 VanDerWaalsContact O-CB 3.29Å; S37-E41 WeakPolarHBondContact O-CB 3.36Å; S37-E41 PolarHBondContact O-N 2.67Å; I38-E41 PolarHBondContact O-N 3Å; I38-E41 VanDerWaalsContact O-N 3.16Å; E41-Y44 PolarHBondContact O-N 2.98Å; E41-R45 WeakPolarHBondContact O-CG 3.31Å; E41-R45 PolarHBondContact O-N 2.86Å; E41-R45 IonicContact OE1-CZ 3.4Å; E41-R45 IonicContact OE1-NE 3.83Å; E41-R45 PolarHBondContact OE1-NE 2.85Å; E41-R45 IonicContact OE1-NH2 3.53Å; E41-R45 PolarHBondContact OE1-NH2 3.48Å; E41-R45 VanDerWaalsContact OE1-NH2 3.12Å; E41-R101 IonicContact OE1-CZ 2.93Å; E41-R101 IonicContact OE1-NE 2.67Å; E41-R101 PolarHBondContact OE1-NE 3.38Å; E41-R101 IonicContact OE1-NH2 2.81Å; E41-R101 PolarHBondContact OE1-NH2 3.09Å; E41-R101 IonicContact OE2-CZ 2.77Å; E41-R101 IonicContact OE2-NE 3.86Å; E41-R101 PolarHBondContact OE2-NE 2.97Å; E41-R101 IonicContact OE2-NH2 3.06Å
42T96.1Very high94.6Very high46 Ų4646.9 Ų46.928%0.28224%0.237SC..Hα-helixtrans-59.8-50.7173.4-59.10000110.5I38 Y44 R45 E46I38-T42 WeakPolarHBondContact O-CB 3.47Å; I38-T42 PolarHBondContact O-N 3.08Å; I38-T42 PolarHBondContact O-OG1 3.28Å; I38-T42 VanDerWaalsContact O-OG1 3.04Å; T42-Y44 VanDerWaalsContact C-N 3.28Å; T42-Y44 PolarHBondContact O-N 3.43Å; T42-R45 PolarHBondContact O-N 3.08Å; T42-E46 HydrophobicContact CG2-CG 4.32Å; T42-E46 WeakPolarHBondContact O-CB 3.44Å; T42-E46 WeakPolarHBondContact O-CG 3.29Å; T42-E46 PolarHBondContact O-N 3.23Å
43A96Very high94.3Very high0 Ų049.9 Ų49.90%025%0.254CS..Hα-helixtrans-59.2-39.7177.900000112.4R39 L40 R47 Y56 I59 M70R39-A43 WeakPolarHBondContact O-CB 3.41Å; R39-A43 PolarHBondContact O-N 3Å; L40-A43 PolarHBondContact O-N 3.42Å; A43-R47 WeakPolarHBondContact O-CB 3.45Å; A43-R47 VanDerWaalsContact O-CG 3.29Å; A43-R47 WeakPolarHBondContact O-CG 3.31Å; A43-R47 PolarHBondContact O-N 3.45Å; A43-Y56 HydrophobicContact CB-CD1 3.8Å; A43-Y56 HydrophobicContact CB-CG 4.34Å; A43-I59 HydrophobicContact CB-CD1 3.79Å; A43-I59 HydrophobicContact CB-CG1 3.85Å; A43-M70 HydrophobicContact CB-CE 4.17Å; A43-M70 HydrophobicContact CB-CG 4.39Å
44Y95.2Very high94.1Very high74 Ų7454 Ų5429%0.2928%0.281SS..Hα-helixtrans-62.7-47.2175.9175.4-94.1000112.2W17 L40 E41 T42 R47 Y48 F73W17-Y44 AromaticContact CH2-CD2 3.81Å; W17-Y44 HydrophobicContact CH2-CD2 3.81Å; W17-Y44 HydrophobicContact CH2-CG 4.06Å; W17-Y44 HydrophobicContact CZ2-CD2 4.01Å; W17-Y44 AromaticContact CZ2-CG 3.77Å; W17-Y44 HydrophobicContact CZ2-CG 3.77Å; L40-Y44 VanDerWaalsContact O-CB 3.3Å; L40-Y44 WeakPolarHBondContact O-CB 3.22Å; L40-Y44 PolarHBondContact O-N 2.67Å; E41-Y44 PolarHBondContact O-N 2.98Å; T42-Y44 VanDerWaalsContact C-N 3.28Å; T42-Y44 PolarHBondContact O-N 3.43Å; Y44-R47 PolarHBondContact O-N 3.47Å; Y44-Y48 WeakPolarHBondContact O-CB 3.47Å; Y44-Y48 PolarHBondContact O-N 3.1Å; Y44-F73 HydrophobicContact CD2-CE1 4.36Å; Y44-F73 HydrophobicContact CD2-CZ 4.37Å; Y44-F73 HydrophobicContact CE2-CZ 4.33Å
45R94.5Very high93.9Very high45 Ų4558.4 Ų58.417%0.1730%0.303CS..Hα-helixtrans-66.5-42.2179.5-70.6177.4-176-140.2-3.1112.3E9 V10 I12 E41 T42 Y48 N49E9-R45 IonicContact OE1-CZ 3.71Å; E9-R45 VanDerWaalsContact OE1-CZ 3.23Å; E9-R45 IonicContact OE1-NH1 3.96Å; E9-R45 PolarHBondContact OE1-NH1 3.23Å; E9-R45 IonicContact OE1-NH2 3.64Å; V10-R45 PolarHBondContact O-NH2 2.8Å; I12-R45 VanDerWaalsContact CG1-CZ 3.45Å; E41-R45 WeakPolarHBondContact O-CG 3.31Å; E41-R45 PolarHBondContact O-N 2.86Å; E41-R45 IonicContact OE1-CZ 3.4Å; E41-R45 IonicContact OE1-NE 3.83Å; E41-R45 PolarHBondContact OE1-NE 2.85Å; E41-R45 IonicContact OE1-NH2 3.53Å; E41-R45 PolarHBondContact OE1-NH2 3.48Å; E41-R45 VanDerWaalsContact OE1-NH2 3.12Å; T42-R45 PolarHBondContact O-N 3.08Å; R45-Y48 WeakPolarHBondContact O-CB 3.42Å; R45-Y48 PolarHBondContact O-N 2.97Å; R45-N49 WeakPolarHBondContact O-CB 3.46Å; R45-N49 VanDerWaalsContact O-CG 3.28Å; R45-N49 PolarHBondContact O-N 3.31Å; R45-N49 PolarHBondContact O-ND2 3.4Å
46E94.3Very high93.7Very high72 Ų7259.1 Ų59.134%0.33631%0.305SS..Hα-helixtrans-62.7-43.8176.7-71.4-57.4144.300111.9T42 N49 G50 S51 Y56T42-E46 HydrophobicContact CG2-CG 4.32Å; T42-E46 WeakPolarHBondContact O-CB 3.44Å; T42-E46 WeakPolarHBondContact O-CG 3.29Å; T42-E46 PolarHBondContact O-N 3.23Å; E46-N49 CarbonylContact O-C 3.51Å; E46-N49 PolarHBondContact O-N 2.81Å; E46-G50 PolarHBondContact O-N 3.44Å; E46-S51 WeakPolarHBondContact O-CB 3.31Å; E46-S51 PolarHBondContact O-N 2.96Å; E46-Y56 HydrophobicContact CB-CD2 3.98Å; E46-Y56 HydrophobicContact CB-CE1 4.47Å; E46-Y56 HydrophobicContact CB-CE2 3.93Å; E46-Y56 HydrophobicContact CB-CG 4.29Å; E46-Y56 HydrophobicContact CG-CE1 4.21Å; E46-Y56 HydrophobicContact CG-CE2 4.05Å
47R93.4Very high93.4Very high72 Ų7262.5 Ų62.527%0.27232%0.321SS..Hα-helixtrans-65.6-38.7174.6-73.4-179.66696.7-2.8112.3A43 Y44 N49 G50 Y56 E71A43-R47 WeakPolarHBondContact O-CB 3.45Å; A43-R47 VanDerWaalsContact O-CG 3.29Å; A43-R47 WeakPolarHBondContact O-CG 3.31Å; A43-R47 PolarHBondContact O-N 3.45Å; Y44-R47 PolarHBondContact O-N 3.47Å; R47-N49 PolarHBondContact O-N 3.43Å; R47-G50 PolarHBondContact O-N 2.99Å; R47-Y56 WeakPolarHBondContact CD-O 3.15Å; R47-E71 IonicContact CZ-OE2 3.24Å; R47-E71 IonicContact NH2-OE2 3.12Å; R47-E71 PolarHBondContact NH2-OE2 3.26Å
48Y89.5Confident93.2Very high180 Ų18066.9 Ų66.971%0.70634%0.34SS*.Hα-helixtrans-62.3-34.7174.5-172.5-92000111.8Y44 R45 G50Y44-Y48 WeakPolarHBondContact O-CB 3.47Å; Y44-Y48 PolarHBondContact O-N 3.1Å; R45-Y48 WeakPolarHBondContact O-CB 3.42Å; R45-Y48 PolarHBondContact O-N 2.97Å; Y48-G50 PolarHBondContact O-N 3.1Å
49N91.7Very high93.1Very high123 Ų12366.2 Ų66.266%0.65834%0.337SS*.THydrogen-bonded Turntrans-782.8173.4-67.7-16.6000113.8R45 E46 R47R45-N49 WeakPolarHBondContact O-CB 3.46Å; R45-N49 VanDerWaalsContact O-CG 3.28Å; R45-N49 PolarHBondContact O-N 3.31Å; R45-N49 PolarHBondContact O-ND2 3.4Å; E46-N49 CarbonylContact O-C 3.51Å; E46-N49 PolarHBondContact O-N 2.81Å; R47-N49 PolarHBondContact O-N 3.43Å
50G91.7Very high92.9Very high55 Ų5564.5 Ų64.557%0.56733%0.334SS*.THydrogen-bonded Turntrans93.811.6174.700000115.5E46 R47 Y48 T52E46-G50 PolarHBondContact O-N 3.44Å; R47-G50 PolarHBondContact O-N 2.99Å; Y48-G50 PolarHBondContact O-N 3.1Å; G50-T52 PolarHBondContact O-N 2.76Å
51S90.4Very high92.8Very high36 Ų3664.5 Ų64.525%0.25233%0.334SS..  trans-64.4132.4174.4-174.70000111.4E46 D53E46-S51 WeakPolarHBondContact O-CB 3.31Å; E46-S51 PolarHBondContact O-N 2.96Å; S51-D53 PolarHBondContact OG-N 3.43Å
52T89.8Confident92.5Very high134 Ų13465 Ų6582%0.82234%0.336SS*.  trans-109.912.7176.552.10000112.3G50 P54G50-T52 PolarHBondContact O-N 2.76Å; T52-P54 WeakPolarHBondContact O-CD 3.43Å
53D90.4Very high92.2Very high69 Ų6963 Ų6337%0.36932%0.324SS..  trans-65.2124.3-179.9-166.2-30.8000110.5S51 I55 Y56S51-D53 PolarHBondContact OG-N 3.43Å; D53-I55 HydrophobicContact CB-CD1 4.47Å; D53-I55 HydrophobicContact CB-CG1 4.05Å; D53-I55 VanDerWaalsContact CG-CG1 3.47Å; D53-I55 PolarHBondContact O-N 3.49Å; D53-I55 WeakPolarHBondContact OD1-CG1 3.4Å; D53-I55 WeakPolarHBondContact OD1-CG2 3.45Å; D53-I55 PolarHBondContact OD1-N 2.77Å; D53-I55 WeakPolarHBondContact OD2-CD1 3.33Å; D53-Y56 HydrophobicContact CB-CD2 3.86Å; D53-Y56 HydrophobicContact CB-CE2 4.07Å; D53-Y56 PolarHBondContact O-N 3.32Å
54P90.2Very high91.8Very high93 Ų9365.1 Ų65.160%0.60433%0.334SS*.G310 helixtrans-54-24.5177.3-27.335000114.5T52 Y56 E57T52-P54 WeakPolarHBondContact O-CD 3.43Å; P54-Y56 PolarHBondContact O-N 2.87Å; P54-E57 WeakPolarHBondContact O-CB 3.43Å; P54-E57 PolarHBondContact O-N 3.47Å
55I90.4Very high91.6Very high93 Ų9361.9 Ų61.948%0.47732%0.322SS..G310 helixtrans-60.8-25.8177.471.3-174.3000112.7D53 I59D53-I55 HydrophobicContact CB-CD1 4.47Å; D53-I55 HydrophobicContact CB-CG1 4.05Å; D53-I55 VanDerWaalsContact CG-CG1 3.47Å; D53-I55 PolarHBondContact O-N 3.49Å; D53-I55 WeakPolarHBondContact OD1-CG1 3.4Å; D53-I55 WeakPolarHBondContact OD1-CG2 3.45Å; D53-I55 PolarHBondContact OD1-N 2.77Å; D53-I55 WeakPolarHBondContact OD2-CD1 3.33Å; I55-I59 VanDerWaalsContact O-CD1 3.3Å; I55-I59 WeakPolarHBondContact O-CD1 3.47Å
56Y91.8Very high91.5Very high53 Ų5360 Ų6021%0.20832%0.315CS..G310 helixtrans-95.5-2.6178.8-56.2-55.2000113.2A43 E46 R47 D53 P54 M70A43-Y56 HydrophobicContact CB-CD1 3.8Å; A43-Y56 HydrophobicContact CB-CG 4.34Å; E46-Y56 HydrophobicContact CB-CD2 3.98Å; E46-Y56 HydrophobicContact CB-CE1 4.47Å; E46-Y56 HydrophobicContact CB-CE2 3.93Å; E46-Y56 HydrophobicContact CB-CG 4.29Å; E46-Y56 HydrophobicContact CG-CE1 4.21Å; E46-Y56 HydrophobicContact CG-CE2 4.05Å; R47-Y56 WeakPolarHBondContact CD-O 3.15Å; D53-Y56 HydrophobicContact CB-CD2 3.86Å; D53-Y56 HydrophobicContact CB-CE2 4.07Å; D53-Y56 PolarHBondContact O-N 3.32Å; P54-Y56 PolarHBondContact O-N 2.87Å; Y56-M70 VanDerWaalsContact O-CG 3.29Å; Y56-M70 WeakPolarHBondContact O-CG 3.4Å
57E91.9Very high91.5Very high76 Ų7657.6 Ų57.636%0.35530%0.304SS..THydrogen-bonded Turntrans-72.8-44.5178.3-167.8-171.8148.500111.3P54 M70P54-E57 WeakPolarHBondContact O-CB 3.43Å; P54-E57 PolarHBondContact O-N 3.47Å; E57-M70 PolarHBondContact O-N 3.26Å
58K92.3Very high91.6Very high93 Ų9354.2 Ų54.240%0.40429%0.291SS..EExtended strand (participates in β ladder)trans-136.2114.6-175.1-69.4-178.9169.3-157.60112.1E67 V68K58-E67 WeakPolarHBondContact CD-OE1 3.48Å; K58-E67 IonicContact NZ-OE1 3.25Å; K58-E67 PolarHBondContact NZ-OE1 3.12Å; K58-V68 VanDerWaalsContact CA-O 3.31Å; K58-V68 WeakPolarHBondContact CA-O 3.24Å
59I94.7Very high91.7Very high9 Ų946.9 Ų46.95%0.04626%0.264CS..EExtended strand (participates in β ladder)trans-102121.8-178.2-53.2-55.1000109.8R39 L40 A43 I55 V61 E67 V68 M70R39-I59 HydrophobicContact CB-CG2 4Å; L40-I59 HydrophobicContact CD2-CB 3.76Å; L40-I59 HydrophobicContact CD2-CG1 4.1Å; L40-I59 HydrophobicContact CD2-CG2 4.04Å; L40-I59 HydrophobicContact CG-CG2 4.39Å; A43-I59 HydrophobicContact CB-CD1 3.79Å; A43-I59 HydrophobicContact CB-CG1 3.85Å; I55-I59 VanDerWaalsContact O-CD1 3.3Å; I55-I59 WeakPolarHBondContact O-CD1 3.47Å; I59-V61 HydrophobicContact CG2-CG1 4.18Å; I59-E67 CarbonylContact O-C 3.03Å; I59-E67 VanDerWaalsContact O-CA 3.27Å; I59-E67 WeakPolarHBondContact O-CA 3.33Å; I59-V68 PolarHBondContact N-O 3.24Å; I59-V68 PolarHBondContact O-N 2.8Å; I59-M70 HydrophobicContact CG1-CG 4.12Å; I59-M70 HydrophobicContact CG1-SD 4.29Å
60T93.6Very high91.8Very high32 Ų3241.3 Ų41.320%0.19623%0.234CC..EExtended strand (participates in β ladder)trans-67.7131.5172.2500000110.5R39 F66 I78 K319R39-T60 PolarHBondContact NH1-O 3.11Å; R39-T60 PolarHBondContact NH2-O 3.45Å; R39-T60 PolarHBondContact NH2-OG1 3.45Å; T60-F66 CarbonylContact C-O 3.53Å; T60-F66 WeakPolarHBondContact CA-O 3.47Å; T60-I78 HydrophobicContact CG2-CD1 4.13Å; T60-K319 HydrophobicContact CG2-CD 4.4Å
61V94.1Very high91.7Very high0 Ų044.8 Ų44.80%024%0.235CC..EExtended strand (participates in β ladder)trans-141.3170.3-174.6-65.60000111F32 D36 L40 I59 G63 E64 F66 V68F32-V61 HydrophobicContact CD1-CB 4.11Å; F32-V61 HydrophobicContact CD1-CG2 4.44Å; F32-V61 HydrophobicContact CE1-CB 3.86Å; F32-V61 HydrophobicContact CE1-CG1 4.34Å; F32-V61 HydrophobicContact CE1-CG2 3.69Å; F32-V61 HydrophobicContact CZ-CG2 4.33Å; D36-V61 HydrophobicContact CB-CB 4.4Å; D36-V61 HydrophobicContact CB-CG1 4.06Å; D36-V61 WeakPolarHBondContact OD2-CA 3.14Å; D36-V61 WeakPolarHBondContact OD2-CB 3.36Å; L40-V61 HydrophobicContact CD1-CG1 4.13Å; L40-V61 HydrophobicContact CD2-CG1 4.26Å; L40-V61 HydrophobicContact CG-CG1 4.24Å; I59-V61 HydrophobicContact CG2-CG1 4.18Å; V61-G63 PolarHBondContact O-N 3.28Å; V61-E64 PolarHBondContact O-N 2.93Å; V61-F66 HydrophobicContact CG2-CB 3.94Å; V61-F66 PolarHBondContact N-O 3.43Å; V61-F66 PolarHBondContact O-N 3.34Å; V61-F66 VanDerWaalsContact O-O 3.12Å; V61-V68 HydrophobicContact CB-CG2 4.43Å; V61-V68 HydrophobicContact CG1-CG2 3.94Å; V61-V68 HydrophobicContact CG2-CG2 3.64Å
62R91.5Very high91.7Very high10 Ų1045 Ų454%0.03824%0.237CC..THydrogen-bonded Turntrans59.449.4174.1-49.9176.374.1-153-0.8110.8Y19 F32 D36 F66 D634Y19-R62 VanDerWaalsContact CE2-CZ 3.49Å; Y19-R62 PolarHBondContact OH-NH2 3.25Å; F32-R62 HydrophobicContact CD1-CG 3.82Å; F32-R62 HydrophobicContact CE1-CG 3.57Å; D36-R62 PolarHBondContact OD2-N 2.78Å; R62-F66 HydrophobicContact CB-CB 4.41Å; R62-F66 HydrophobicContact CB-CD2 3.86Å; R62-F66 HydrophobicContact CB-CG 4.48Å; R62-F66 HydrophobicContact CG-CB 4.48Å; R62-F66 HydrophobicContact CG-CD2 4.42Å; R62-F66 VanDerWaalsContact NH1-CE2 3.29Å; R62-D634 IonicContact CZ-OD2 3.39Å; R62-D634 IonicContact NH1-OD2 3.21Å; R62-D634 PolarHBondContact NH1-OD2 3Å; R62-D634 IonicContact NH2-OD2 2.73Å; R62-D634 PolarHBondContact NH2-OD2 3.47Å
63G88.1Confident91.8Very high4 Ų442.4 Ų42.44%0.04121%0.214CC..THydrogen-bonded Turntrans62.443.2-179.200000113.1V61 M65 R248V61-G63 PolarHBondContact O-N 3.28Å; G63-M65 PolarHBondContact O-N 2.77Å; G63-R248 PolarHBondContact O-NH1 3.24Å; G63-R248 PolarHBondContact O-NH2 2.86Å
64E89.4Confident91.9Very high44 Ų4440.6 Ų40.621%0.20621%0.205CC..THydrogen-bonded Turntrans68.718.2173-54.5163.1147.700114.7V61 Y79 N320V61-E64 PolarHBondContact O-N 2.93Å; E64-Y79 WeakPolarHBondContact O-CE2 3.27Å; E64-Y79 PolarHBondContact O-OH 2.77Å; E64-N320 PolarHBondContact OE2-OD1 2.79Å; E64-N320 VanDerWaalsContact OE2-OD1 3.12Å
65M90.8Very high91.9Very high7 Ų736.1 Ų36.13%0.03418%0.176CC..THydrogen-bonded Turntrans-98.7-19.3178.2-59.7-55.1-67.400113.1G63 I78 Y79 W80 E250 I252G63-M65 PolarHBondContact O-N 2.77Å; M65-I78 PolarHBondContact O-N 3.1Å; M65-Y79 HydrophobicContact CE-CD2 3.6Å; M65-Y79 HydrophobicContact CE-CE2 3.88Å; M65-Y79 HydrophobicContact SD-CD2 4.02Å; M65-Y79 HydrophobicContact SD-CE2 3.64Å; M65-W80 HydrophobicContact CE-CH2 3.75Å; M65-W80 HydrophobicContact CE-CZ3 3.59Å; M65-E250 HydrophobicContact SD-CG 4.41Å; M65-I252 HydrophobicContact CE-CG1 4.27Å
66F92.6Very high91.8Very high4 Ų433.4 Ų33.42%0.01816%0.162CC..EExtended strand (participates in β ladder)trans-132.7159.7-177.8-66.6-102.2000110.8T60 V61 R62 I76 P77 I78 W80 D634T60-F66 CarbonylContact C-O 3.53Å; T60-F66 WeakPolarHBondContact CA-O 3.47Å; V61-F66 HydrophobicContact CG2-CB 3.94Å; V61-F66 PolarHBondContact N-O 3.43Å; V61-F66 PolarHBondContact O-N 3.34Å; V61-F66 VanDerWaalsContact O-O 3.12Å; R62-F66 HydrophobicContact CB-CB 4.41Å; R62-F66 HydrophobicContact CB-CD2 3.86Å; R62-F66 HydrophobicContact CB-CG 4.48Å; R62-F66 HydrophobicContact CG-CB 4.48Å; R62-F66 HydrophobicContact CG-CD2 4.42Å; R62-F66 VanDerWaalsContact NH1-CE2 3.29Å; F66-I76 CarbonylContact C-O 3.56Å; F66-I76 VanDerWaalsContact CA-O 3.24Å; F66-I76 WeakPolarHBondContact CA-O 3.49Å; F66-P77 HydrophobicContact CD1-CB 4.02Å; F66-P77 HydrophobicContact CE1-CB 3.82Å; F66-P77 HydrophobicContact CE1-CG 4.48Å; F66-P77 HydrophobicContact CZ-CB 4.45Å; F66-I78 WeakPolarHBondContact O-CD1 3.36Å; F66-W80 HydrophobicContact CE1-CZ2 4.47Å; F66-W80 HydrophobicContact CE2-CZ2 4.14Å; F66-W80 AromaticContact CZ-CZ2 3.78Å; F66-W80 HydrophobicContact CZ-CZ2 3.78Å; F66-D634 WeakPolarHBondContact CE2-OD2 3.43Å; F66-D634 WeakPolarHBondContact CZ-OD2 3.38Å
67E93.3Very high91.7Very high23 Ų2331.1 Ų31.111%0.10715%0.153CC..EExtended strand (participates in β ladder)trans-126.4137.8169.558.8-177.6-146.500109.9K58 I59 C75 I76 I78 K319K58-E67 WeakPolarHBondContact CD-OE1 3.48Å; K58-E67 IonicContact NZ-OE1 3.25Å; K58-E67 PolarHBondContact NZ-OE1 3.12Å; I59-E67 CarbonylContact O-C 3.03Å; I59-E67 VanDerWaalsContact O-CA 3.27Å; I59-E67 WeakPolarHBondContact O-CA 3.33Å; E67-C75 CarbonylContact O-C 3.47Å; E67-C75 WeakPolarHBondContact O-CA 3.02Å; E67-I76 HydrophobicContact CG-CB 4.47Å; E67-I76 PolarHBondContact N-O 3.16Å; E67-I76 PolarHBondContact O-N 3.48Å; E67-I78 HydrophobicContact CB-CD1 4.46Å; E67-I78 HydrophobicContact CB-CG1 4.25Å; E67-I78 HydrophobicContact CG-CG1 4.17Å; E67-K319 IonicContact OE2-NZ 3.56Å; E67-K319 PolarHBondContact OE2-NZ 2.73Å
68V94.9Very high91.7Very high0 Ų027.9 Ų27.90%014%0.139CC..EExtended strand (participates in β ladder)trans-92.9120.1167.9-177.20000107.9F32 L40 K58 I59 V61 M70 L74 C75 V99F32-V68 HydrophobicContact CZ-CG2 3.94Å; L40-V68 HydrophobicContact CD1-CG2 4.28Å; L40-V68 HydrophobicContact CD2-CB 3.61Å; L40-V68 HydrophobicContact CD2-CG1 3.91Å; L40-V68 HydrophobicContact CD2-CG2 3.76Å; K58-V68 VanDerWaalsContact CA-O 3.31Å; K58-V68 WeakPolarHBondContact CA-O 3.24Å; I59-V68 PolarHBondContact N-O 3.24Å; I59-V68 PolarHBondContact O-N 2.8Å; V61-V68 HydrophobicContact CB-CG2 4.43Å; V61-V68 HydrophobicContact CG1-CG2 3.94Å; V61-V68 HydrophobicContact CG2-CG2 3.64Å; V68-M70 HydrophobicContact CG1-SD 3.96Å; V68-M70 PolarHBondContact O-N 3.37Å; V68-L74 WeakPolarHBondContact CA-O 3.24Å; V68-C75 HydrophobicContact CG2-CB 4.2Å; V68-V99 HydrophobicContact CG1-CB 4.31Å; V68-V99 HydrophobicContact CG1-CG1 4.21Å; V68-V99 HydrophobicContact CG1-CG2 4.1Å; V68-V99 HydrophobicContact CG2-CG2 4.09Å
69D92.9Very high91.6Very high26 Ų2623.5 Ų23.514%0.13912%0.119CC..EExtended strand (participates in β ladder)trans-78.2113.1165.5172.5-2.3000108.4E71 S72 F73 L74 I76D69-E71 PolarHBondContact O-N 2.79Å; D69-E71 WeakPolarHBondContact OD1-CA 3.44Å; D69-E71 VanDerWaalsContact OD1-CB 3.26Å; D69-E71 WeakPolarHBondContact OD1-CB 3.35Å; D69-E71 PolarHBondContact OD1-N 3.16Å; D69-S72 WeakPolarHBondContact CB-OG 3.36Å; D69-S72 PolarHBondContact OD1-N 2.9Å; D69-S72 WeakPolarHBondContact OD2-CB 3.18Å; D69-S72 PolarHBondContact OD2-OG 3.11Å; D69-F73 VanDerWaalsContact O-CA 3.31Å; D69-F73 WeakPolarHBondContact O-CA 3.23Å; D69-F73 PolarHBondContact O-N 2.88Å; D69-L74 PolarHBondContact N-O 3.49Å; D69-I76 HydrophobicContact CB-CD1 4.42Å
70M92.9Very high91Very high7 Ų724.6 Ų24.63%0.03412%0.123CC..THydrogen-bonded Turntrans-73.6-12.5-176.2-63.7-58.5-68.800113.1W17 L40 A43 Y56 E57 I59 V68W17-M70 HydrophobicContact CH2-CE 3.84Å; W17-M70 HydrophobicContact CZ2-CE 4.25Å; W17-M70 HydrophobicContact CZ3-CE 4.39Å; L40-M70 HydrophobicContact CD2-SD 3.59Å; L40-M70 VanDerWaalsContact CD2-SD 3.59Å; L40-M70 WeakPolarHBondContact O-CE 2.97Å; A43-M70 HydrophobicContact CB-CE 4.17Å; A43-M70 HydrophobicContact CB-CG 4.39Å; Y56-M70 VanDerWaalsContact O-CG 3.29Å; Y56-M70 WeakPolarHBondContact O-CG 3.4Å; E57-M70 PolarHBondContact O-N 3.26Å; I59-M70 HydrophobicContact CG1-CG 4.12Å; I59-M70 HydrophobicContact CG1-SD 4.29Å; V68-M70 HydrophobicContact CG1-SD 3.96Å; V68-M70 PolarHBondContact O-N 3.37Å
71E89.7Confident90Very high127 Ų12728.8 Ų28.859%0.59314%0.139SC*.THydrogen-bonded Turntrans-84.3-48.8173.5-170113.1-176.600110.7R47 D69R47-E71 IonicContact CZ-OE2 3.24Å; R47-E71 IonicContact NH2-OE2 3.12Å; R47-E71 PolarHBondContact NH2-OE2 3.26Å; D69-E71 PolarHBondContact O-N 2.79Å; D69-E71 WeakPolarHBondContact OD1-CA 3.44Å; D69-E71 VanDerWaalsContact OD1-CB 3.26Å; D69-E71 WeakPolarHBondContact OD1-CB 3.35Å; D69-E71 PolarHBondContact OD1-N 3.16Å
72S90Very high88.2Confident41 Ų4129 Ų2929%0.28714%0.141SC..THydrogen-bonded Turntrans-90.6-8.7-176.370.30000114.8D69 L74D69-S72 WeakPolarHBondContact CB-OG 3.36Å; D69-S72 PolarHBondContact OD1-N 2.9Å; D69-S72 WeakPolarHBondContact OD2-CB 3.18Å; D69-S72 PolarHBondContact OD2-OG 3.11Å; S72-L74 PolarHBondContact O-N 3.46Å
73F92.5Very high86.3Confident79 Ų7936.8 Ų36.835%0.34618%0.175SC..THydrogen-bonded Turntrans5139.9-172.3-63.1-71000112.8W17 Y44 D69 V99W17-F73 HydrophobicContact CH2-CD1 4.33Å; W17-F73 AromaticContact CH2-CE1 3.83Å; W17-F73 HydrophobicContact CH2-CE1 3.83Å; W17-F73 AromaticContact CZ3-CD1 3.93Å; W17-F73 HydrophobicContact CZ3-CD1 3.93Å; W17-F73 AromaticContact CZ3-CE1 3.91Å; W17-F73 HydrophobicContact CZ3-CE1 3.91Å; Y44-F73 HydrophobicContact CD2-CE1 4.36Å; Y44-F73 HydrophobicContact CD2-CZ 4.37Å; Y44-F73 HydrophobicContact CE2-CZ 4.33Å; D69-F73 VanDerWaalsContact O-CA 3.31Å; D69-F73 WeakPolarHBondContact O-CA 3.23Å; D69-F73 PolarHBondContact O-N 2.88Å; F73-V99 PolarHBondContact O-N 3.49Å
74L91.7Very high84.4Confident31 Ų3141.6 Ų41.616%0.16220%0.195CC..EExtended strand (participates in β ladder)trans-111.5130176.5-64.5180000109.9V68 D69 S72 I76 T97 Q98V68-L74 WeakPolarHBondContact CA-O 3.24Å; D69-L74 PolarHBondContact N-O 3.49Å; S72-L74 PolarHBondContact O-N 3.46Å; L74-I76 HydrophobicContact CB-CD1 4.33Å; L74-I76 HydrophobicContact CB-CG1 4.08Å; L74-T97 CarbonylContact C-O 3.52Å; L74-T97 WeakPolarHBondContact CA-O 3.16Å; L74-Q98 HydrophobicContact CD2-CG 4.27Å
75C91.8Very high82.3Confident0 Ų045.8 Ų45.80%021%0.209CC..EExtended strand (participates in β ladder)trans-89.1118.1167174.50000108.5F32 E67 V68 S96 T97 V99F32-C75 HydrophobicContact CZ-CB 4.47Å; E67-C75 CarbonylContact O-C 3.47Å; E67-C75 WeakPolarHBondContact O-CA 3.02Å; V68-C75 HydrophobicContact CG2-CB 4.2Å; C75-S96 CarbonylContact O-C 3.52Å; C75-S96 VanDerWaalsContact O-CA 3.24Å; C75-S96 WeakPolarHBondContact O-CA 3.37Å; C75-T97 WeakPolarHBondContact CB-OG1 3.49Å; C75-T97 PolarHBondContact N-O 2.89Å; C75-T97 PolarHBondContact O-N 3.35Å; C75-V99 HydrophobicContact CB-CG2 3.43Å; C75-V99 VanDerWaalsContact CB-CG2 3.43Å
76I88.4Confident80Confident35 Ų3548.1 Ų48.118%0.17923%0.226CC..EExtended strand (participates in β ladder)trans-121.7134.5-169.3-53.3171.3000108.5F66 E67 D69 L74F66-I76 CarbonylContact C-O 3.56Å; F66-I76 VanDerWaalsContact CA-O 3.24Å; F66-I76 WeakPolarHBondContact CA-O 3.49Å; E67-I76 HydrophobicContact CG-CB 4.47Å; E67-I76 PolarHBondContact N-O 3.16Å; E67-I76 PolarHBondContact O-N 3.48Å; D69-I76 HydrophobicContact CB-CD1 4.42Å; L74-I76 HydrophobicContact CB-CD1 4.33Å; L74-I76 HydrophobicContact CB-CG1 4.08Å
77P89.6Confident78.1Confident5 Ų554.4 Ų54.43%0.03226%0.264CS..EExtended strand (participates in β ladder)trans-65.5141.3173.527.6-36.7000112.1F66 W80 C95F66-P77 HydrophobicContact CD1-CB 4.02Å; F66-P77 HydrophobicContact CE1-CB 3.82Å; F66-P77 HydrophobicContact CE1-CG 4.48Å; F66-P77 HydrophobicContact CZ-CB 4.45Å; P77-W80 HydrophobicContact CB-CD2 3.99Å; P77-W80 VanDerWaalsContact CB-CE2 3.43Å; P77-W80 HydrophobicContact CB-CG 4.08Å; P77-W80 HydrophobicContact CB-CZ2 3.9Å; P77-W80 HydrophobicContact CG-CG 4.45Å; P77-W80 WeakPolarHBondContact CG-O 2.95Å; P77-C95 HydrophobicContact CG-CB 3.6Å
78I90.5Very high75.9Confident9 Ų961.5 Ų61.55%0.04630%0.297CS..SBendtrans-79.7-46.2-178.8-67.8169.3000111.3T60 M65 F66 E67 L315 K319T60-I78 HydrophobicContact CG2-CD1 4.13Å; M65-I78 PolarHBondContact O-N 3.1Å; F66-I78 WeakPolarHBondContact O-CD1 3.36Å; E67-I78 HydrophobicContact CB-CD1 4.46Å; E67-I78 HydrophobicContact CB-CG1 4.25Å; E67-I78 HydrophobicContact CG-CG1 4.17Å; I78-L315 HydrophobicContact CG2-CD2 4.27Å; I78-L315 HydrophobicContact CG2-CG 4.33Å; I78-K319 HydrophobicContact CD1-CD 4.49Å; I78-K319 HydrophobicContact CG2-CG 4.08Å
79Y89.5Confident73.8Confident0 Ų063.2 Ų63.20%031%0.309CS..SBendtrans-93.2-16.4-166.6-56-69.8000114.5E64 M65 I252 L312 L315 F316 N320E64-Y79 WeakPolarHBondContact O-CE2 3.27Å; E64-Y79 PolarHBondContact O-OH 2.77Å; M65-Y79 HydrophobicContact CE-CD2 3.6Å; M65-Y79 HydrophobicContact CE-CE2 3.88Å; M65-Y79 HydrophobicContact SD-CD2 4.02Å; M65-Y79 HydrophobicContact SD-CE2 3.64Å; Y79-I252 HydrophobicContact CD1-CD1 4.14Å; Y79-I252 HydrophobicContact CD2-CD1 4.24Å; Y79-I252 HydrophobicContact CD2-CG1 4.46Å; Y79-I252 HydrophobicContact CE1-CD1 4.29Å; Y79-I252 HydrophobicContact CE2-CD1 4.37Å; Y79-I252 HydrophobicContact CG-CD1 4.13Å; Y79-I252 HydrophobicContact CG-CG2 4.26Å; Y79-L312 WeakPolarHBondContact O-CD2 3.17Å; Y79-L315 HydrophobicContact CD1-CD2 4Å; Y79-L315 HydrophobicContact CD1-CG 4.11Å; Y79-L315 HydrophobicContact CE1-CD2 4.49Å; Y79-L315 HydrophobicContact CE1-CG 4.13Å; Y79-F316 HydrophobicContact CE1-CB 3.97Å; Y79-F316 HydrophobicContact CE1-CD2 4.22Å; Y79-F316 AromaticContact CZ-CD2 3.94Å; Y79-N320 PolarHBondContact OH-ND2 2.82Å
80W83.9Confident71.8Confident33 Ų3374.1 Ų74.113%0.12535%0.348CS..  trans-132.1130.1-179.553.985000112M65 F66 P77 R221 P253M65-W80 HydrophobicContact CE-CH2 3.75Å; M65-W80 HydrophobicContact CE-CZ3 3.59Å; F66-W80 HydrophobicContact CE1-CZ2 4.47Å; F66-W80 HydrophobicContact CE2-CZ2 4.14Å; F66-W80 AromaticContact CZ-CZ2 3.78Å; F66-W80 HydrophobicContact CZ-CZ2 3.78Å; P77-W80 HydrophobicContact CB-CD2 3.99Å; P77-W80 VanDerWaalsContact CB-CE2 3.43Å; P77-W80 HydrophobicContact CB-CG 4.08Å; P77-W80 HydrophobicContact CB-CZ2 3.9Å; P77-W80 HydrophobicContact CG-CG 4.45Å; P77-W80 WeakPolarHBondContact CG-O 2.95Å; W80-R221 HydrophobicContact CB-CG 4.39Å; W80-R221 VanDerWaalsContact CD1-CD 3.41Å; W80-R221 HydrophobicContact CG-CG 4.17Å; W80-P253 HydrophobicContact CB-CG 4.47Å; W80-P253 HydrophobicContact CD2-CG 4.11Å; W80-P253 HydrophobicContact CE3-CG 3.61Å; W80-P253 HydrophobicContact CG-CG 4.49Å; W80-P253 HydrophobicContact CZ3-CG 4.23Å
81F71Confident69.9Low119 Ų11977.8 Ų77.852%0.52236%0.361SS..  trans-89.1145.1176.3-65.3-77.2000112.1R221 L433F81-R221 PolarHBondContact O-NH1 3Å; F81-L433 HydrophobicContact CE2-CD1 4.5Å; F81-L433 HydrophobicContact CZ-CD1 4.34Å
82G57.5Low68Low4 Ų479.2 Ų79.24%0.04137%0.366CS..  trans-110.3108169.800000112.6T93G82-T93 VanDerWaalsContact O-CA 3.28Å; G82-T93 WeakPolarHBondContact O-CA 3.37Å; G82-T93 WeakPolarHBondContact O-CB 3.3Å; G82-T93 WeakPolarHBondContact O-CG2 3.37Å
83K51.8Low66.3Low174 Ų17478.7 Ų78.776%0.75736%0.361SS*.  trans-57.8141.8168.9-69.5-174.8179.2179.20110.8R85K83-R85 PolarHBondContact O-N 2.76Å
84K47.4Very low64.8Low106 Ų10677 Ų7746%0.46135%0.352SS..  trans-49129.1172.9-74.1-167.7175.3-174.90110.1S86 R91 K92K84-S86 PolarHBondContact O-N 3.03Å; K84-R91 VanDerWaalsContact CE-O 3.27Å; K84-R91 WeakPolarHBondContact CE-O 3.38Å; K84-R91 WeakPolarHBondContact CG-O 3.45Å; K84-K92 WeakPolarHBondContact CG-O 3.4Å
85R46Very low63.7Low132 Ų13275.8 Ų75.850%0.49835%0.346SS..SBendtrans-65.3-27.1177.2-93.3-172.9176.5171.4-0.2112.9K83 W94 L628 D630K83-R85 PolarHBondContact O-N 2.76Å; R85-W94 HydrophobicContact CG-CB 3.97Å; R85-W94 HydrophobicContact CG-CG 4.27Å; R85-L628 PolarHBondContact NH2-O 2.71Å; R85-D630 IonicContact NH2-OD2 3.31Å; R85-D630 PolarHBondContact NH2-OD2 3.08Å
86S43Very low63.1Low56 Ų5675.9 Ų75.939%0.39235%0.347SS..SBendtrans-152.4148.9178.8170.50000109K84 H88 S89K84-S86 PolarHBondContact O-N 3.03Å; S86-H88 PolarHBondContact O-N 3.26Å; S86-H88 PolarHBondContact OG-N 3.21Å; S86-S89 WeakPolarHBondContact O-CB 3.37Å; S86-S89 PolarHBondContact O-N 2.97Å
87V51.3Low63.1Low135 Ų13574.6 Ų74.682%0.81834%0.341SS*.THydrogen-bonded Turntrans-55-32.1172.5-177.80000110.9S89V87-S89 VanDerWaalsContact C-N 3.32Å; V87-S89 PolarHBondContact O-N 2.54Å
88H48.3Very low63.1Low172 Ų17279.3 Ų79.380%0.79636%0.362SS*.THydrogen-bonded Turntrans-81.5-4.4-179.8-5989.6000114.2S86 R90S86-H88 PolarHBondContact O-N 3.26Å; S86-H88 PolarHBondContact OG-N 3.21Å; H88-R90 PolarHBondContact O-N 3.01Å
89S49.3Very low63.3Low37 Ų3779.4 Ų79.426%0.25936%0.363SS..  trans-74.3121.1179.1-164.30000110.4S86 V87 R91S86-S89 WeakPolarHBondContact O-CB 3.37Å; S86-S89 PolarHBondContact O-N 2.97Å; V87-S89 VanDerWaalsContact C-N 3.32Å; V87-S89 PolarHBondContact O-N 2.54Å; S89-R91 PolarHBondContact O-N 3.45Å; S89-R91 PolarHBondContact OG-N 2.85Å
90R51.8Low63.5Low254 Ų25480.5 Ų80.596%0.95837%0.37SS*.SBendtrans-61.4-18.7170.1-65.1-169.5-169.9-176.43112.6H88H88-R90 PolarHBondContact O-N 3.01Å
91R52.2Low64.1Low84 Ų8482.4 Ų82.432%0.31738%0.377SS..  trans-75129.5179.2-65.3-175.5178.4-177.7-1.6110.6K84 S89 T93K84-R91 VanDerWaalsContact CE-O 3.27Å; K84-R91 WeakPolarHBondContact CE-O 3.38Å; K84-R91 WeakPolarHBondContact CG-O 3.45Å; S89-R91 PolarHBondContact O-N 3.45Å; S89-R91 PolarHBondContact OG-N 2.85Å; R91-T93 VanDerWaalsContact C-N 3.32Å; R91-T93 PolarHBondContact O-N 2.71Å
92K50.7Low65.2Low157 Ų15776.9 Ų76.968%0.68335%0.354SS*.SBendtrans-64.1-36.5175.1-71.5-176.4-179.9176.20111.8K84K84-K92 WeakPolarHBondContact CG-O 3.4Å
93T55.1Low67Low30 Ų3077.1 Ų77.118%0.18435%0.354CS..  trans-136.6146.5172.566.40000110.5G82 R91 C95 S96G82-T93 VanDerWaalsContact O-CA 3.28Å; G82-T93 WeakPolarHBondContact O-CA 3.37Å; G82-T93 WeakPolarHBondContact O-CB 3.3Å; G82-T93 WeakPolarHBondContact O-CG2 3.37Å; R91-T93 VanDerWaalsContact C-N 3.32Å; R91-T93 PolarHBondContact O-N 2.71Å; T93-C95 PolarHBondContact O-N 3.01Å; T93-S96 PolarHBondContact O-N 3.29Å; T93-S96 PolarHBondContact O-OG 3.32Å; T93-S96 VanDerWaalsContact OG1-CB 3.28Å; T93-S96 WeakPolarHBondContact OG1-CB 3.37Å; T93-S96 PolarHBondContact OG1-N 3.46Å; T93-S96 PolarHBondContact OG1-OG 3.2Å
94W59.3Low69.1Low44 Ų4468.9 Ų68.917%0.16732%0.318CS..THydrogen-bonded Turntrans-71.5-19.9178.976.8-77.4000112.5R85 D630R85-W94 HydrophobicContact CG-CB 3.97Å; R85-W94 HydrophobicContact CG-CG 4.27Å; W94-D630 HydrophobicContact CE3-CB 4.4Å; W94-D630 HydrophobicContact CH2-CB 3.68Å; W94-D630 HydrophobicContact CZ3-CB 3.36Å
95C69.3Low71.3Confident5 Ų563.8 Ų63.83%0.03430%0.296CS..THydrogen-bonded Turntrans-85.5-13.6177-53.20000114.3P77 T93P77-C95 HydrophobicContact CG-CB 3.6Å; T93-C95 PolarHBondContact O-N 3.01Å
96S79.8Confident73.5Confident3 Ų360.2 Ų60.22%0.02129%0.285CS..  trans-73.2134.7179.158.70000110.5C75 T93C75-S96 CarbonylContact O-C 3.52Å; C75-S96 VanDerWaalsContact O-CA 3.24Å; C75-S96 WeakPolarHBondContact O-CA 3.37Å; T93-S96 PolarHBondContact O-N 3.29Å; T93-S96 PolarHBondContact O-OG 3.32Å; T93-S96 VanDerWaalsContact OG1-CB 3.28Å; T93-S96 WeakPolarHBondContact OG1-CB 3.37Å; T93-S96 PolarHBondContact OG1-N 3.46Å; T93-S96 PolarHBondContact OG1-OG 3.2Å
97T86.9Confident75.8Confident7 Ų761.3 Ų61.34%0.04328%0.283CS..EExtended strand (participates in β ladder)trans-109.2147.5174.3570000109.9F20 L74 C75F20-T97 VanDerWaalsContact O-CB 3.23Å; F20-T97 WeakPolarHBondContact O-CB 3.45Å; F20-T97 WeakPolarHBondContact O-CG2 3.49Å; L74-T97 CarbonylContact C-O 3.52Å; L74-T97 WeakPolarHBondContact CA-O 3.16Å; C75-T97 WeakPolarHBondContact CB-OG1 3.49Å; C75-T97 PolarHBondContact N-O 2.89Å; C75-T97 PolarHBondContact O-N 3.35Å
98Q91.2Very high77.6Confident105 Ų10560.7 Ų60.749%0.49127%0.274SS..EExtended strand (participates in β ladder)trans-70.9145.2174.8-75.3176.3-17.800109.7Y19 F20 W29 L74Y19-Q98 CarbonylContact C-O 3.57Å; Y19-Q98 VanDerWaalsContact CA-O 3.29Å; Y19-Q98 WeakPolarHBondContact CA-O 3.45Å; F20-Q98 HydrophobicContact CB-CB 4.23Å; F20-Q98 PolarHBondContact N-O 3.46Å; W29-Q98 HydrophobicContact CH2-CB 4.12Å; W29-Q98 WeakPolarHBondContact CZ3-O 3.2Å; L74-Q98 HydrophobicContact CD2-CG 4.27Å
99V94Very high79.6Confident10 Ų1056 Ų566%0.06126%0.255CS..EExtended strand (participates in β ladder)trans-115.8142.1174.2173.60000108.6W17 L18 F32 V68 F73 C75W17-V99 HydrophobicContact CE3-CG1 3.52Å; W17-V99 HydrophobicContact CZ3-CG1 3.97Å; L18-V99 CarbonylContact O-C 3.58Å; L18-V99 VanDerWaalsContact O-CA 3.26Å; L18-V99 WeakPolarHBondContact O-CA 3.13Å; F32-V99 HydrophobicContact CE2-CG1 3.95Å; F32-V99 HydrophobicContact CE2-CG2 4.11Å; F32-V99 HydrophobicContact CZ-CG2 4.01Å; V68-V99 HydrophobicContact CG1-CB 4.31Å; V68-V99 HydrophobicContact CG1-CG1 4.21Å; V68-V99 HydrophobicContact CG1-CG2 4.1Å; V68-V99 HydrophobicContact CG2-CG2 4.09Å; F73-V99 PolarHBondContact O-N 3.49Å; C75-V99 HydrophobicContact CB-CG2 3.43Å; C75-V99 VanDerWaalsContact CB-CG2 3.43Å
100V94.6Very high81.6Confident23 Ų2356.8 Ų56.814%0.13925%0.252CS..EExtended strand (participates in β ladder)trans-133.3137.817770.20000110.2W17 L18 W29 P112W17-V100 WeakPolarHBondContact CA-O 3.13Å; L18-V100 HydrophobicContact CB-CG1 4Å; L18-V100 HydrophobicContact CD1-CG1 4.29Å; L18-V100 PolarHBondContact N-O 3.09Å; L18-V100 PolarHBondContact O-N 2.93Å; W29-V100 HydrophobicContact CD2-CG1 3.91Å; W29-V100 HydrophobicContact CE3-CB 4.45Å; W29-V100 HydrophobicContact CE3-CG1 3.53Å; W29-V100 HydrophobicContact CH2-CB 3.76Å; W29-V100 HydrophobicContact CH2-CG1 3.69Å; W29-V100 HydrophobicContact CZ2-CB 4.31Å; W29-V100 HydrophobicContact CZ2-CG1 4.05Å; W29-V100 HydrophobicContact CZ3-CB 3.83Å; W29-V100 HydrophobicContact CZ3-CG1 3.41Å; W29-V100 VanDerWaalsContact CZ3-CG1 3.41Å; V100-P112 HydrophobicContact CG1-CG 4.48Å
101R95.5Very high83.5Confident73 Ų7347.2 Ų47.228%0.27522%0.219SC..EExtended strand (participates in β ladder)trans-82.2124.7166.1-176.7-178.7-179.8-89.6-1.1108.6V15 W17 E41 V103V15-R101 HydrophobicContact CG1-CG 3.93Å; W17-R101 HydrophobicContact CD2-CB 4.18Å; W17-R101 HydrophobicContact CD2-CG 4.49Å; W17-R101 HydrophobicContact CE3-CB 4.17Å; W17-R101 HydrophobicContact CH2-CB 3.8Å; W17-R101 HydrophobicContact CH2-CG 4.34Å; W17-R101 HydrophobicContact CZ2-CB 3.76Å; W17-R101 HydrophobicContact CZ2-CG 3.81Å; W17-R101 HydrophobicContact CZ3-CB 4Å; E41-R101 IonicContact OE1-CZ 2.93Å; E41-R101 IonicContact OE1-NE 2.67Å; E41-R101 PolarHBondContact OE1-NE 3.38Å; E41-R101 IonicContact OE1-NH2 2.81Å; E41-R101 PolarHBondContact OE1-NH2 3.09Å; E41-R101 IonicContact OE2-CZ 2.77Å; E41-R101 IonicContact OE2-NE 3.86Å; E41-R101 PolarHBondContact OE2-NE 2.97Å; E41-R101 IonicContact OE2-NH2 3.06Å; R101-V103 VanDerWaalsContact NH1-CG2 3.3Å
102A94.9Very high85.4Confident4 Ų444 Ų443%0.03321%0.21CC..EExtended strand (participates in β ladder)trans-123.1133.2179.700000112.5R16 L18 F105 P112R16-A102 PolarHBondContact N-O 2.81Å; R16-A102 PolarHBondContact O-N 3.37Å; L18-A102 HydrophobicContact CD1-CB 3.34Å; A102-F105 HydrophobicContact CB-CE1 3.54Å; A102-F105 HydrophobicContact CB-CE2 4.33Å; A102-F105 HydrophobicContact CB-CZ 3.41Å; A102-F105 VanDerWaalsContact CB-CZ 3.41Å; A102-F105 WeakPolarHBondContact O-CZ 3.36Å; A102-P112 HydrophobicContact CB-CB 3.52Å
103V95Very high87.4Confident9 Ų937.2 Ų37.26%0.05518%0.181CC..  trans-112.8-41.9178.1173.40000110.9V10 R101 F105 R188 G189V10-V103 HydrophobicContact CG2-CG1 3.69Å; R101-V103 VanDerWaalsContact NH1-CG2 3.3Å; V103-F105 WeakPolarHBondContact O-CD2 3.37Å; V103-F105 WeakPolarHBondContact O-CE2 3.38Å; V103-R188 HydrophobicContact CG1-CG 4.37Å; V103-G189 PolarHBondContact O-N 2.78Å
104W95.2Very high89Confident0 Ų040.8 Ų40.80%020%0.199CC..EExtended strand (participates in β ladder)trans-106133-179.7-70.388.9000111.9L113 I121 E122 H125 I162 I186 S187 R188W104-L113 HydrophobicContact CB-CB 4.46Å; W104-L113 HydrophobicContact CB-CD1 3.61Å; W104-L113 HydrophobicContact CB-CG 4.27Å; W104-L113 PolarHBondContact O-N 2.91Å; W104-I121 HydrophobicContact CD2-CB 4.28Å; W104-I121 HydrophobicContact CD2-CG2 3.74Å; W104-I121 HydrophobicContact CE3-CG2 3.98Å; W104-I121 HydrophobicContact CG-CB 4.42Å; W104-I121 HydrophobicContact CG-CG2 4.38Å; W104-I121 HydrophobicContact CH2-CG2 3.91Å; W104-I121 HydrophobicContact CZ2-CG2 3.68Å; W104-I121 HydrophobicContact CZ3-CG2 4.05Å; W104-E122 PolarHBondContact NE1-OE2 3.46Å; W104-H125 HydrophobicContact CH2-CB 4.26Å; W104-H125 AromaticContact CH2-CG 3.91Å; W104-H125 HydrophobicContact CZ2-CB 3.79Å; W104-H125 AromaticContact CZ2-CD2 3.83Å; W104-H125 AromaticContact CZ2-CG 3.73Å; W104-I162 HydrophobicContact CH2-CD1 3.47Å; W104-I162 VanDerWaalsContact CH2-CD1 3.47Å; W104-I162 HydrophobicContact CZ3-CD1 3.52Å; W104-I186 HydrophobicContact CE3-CD1 3.8Å; W104-I186 HydrophobicContact CE3-CG1 4.16Å; W104-I186 HydrophobicContact CZ3-CD1 4.03Å; W104-I186 HydrophobicContact CZ3-CG1 4.23Å; W104-S187 WeakPolarHBondContact CA-O 3.49Å; W104-R188 HydrophobicContact CD2-CB 4.39Å; W104-R188 HydrophobicContact CE3-CB 4.18Å; W104-R188 HydrophobicContact CH2-CB 3.65Å; W104-R188 HydrophobicContact CH2-CG 4.17Å; W104-R188 HydrophobicContact CZ2-CB 3.86Å; W104-R188 HydrophobicContact CZ2-CG 3.86Å; W104-R188 HydrophobicContact CZ3-CB 3.82Å
105F94.7Very high90.6Very high0 Ų041.9 Ų41.90%021%0.21CC..EExtended strand (participates in β ladder)trans-128.5146.5-174.4-59.5-88.8000111.7R16 L18 A102 V103 W110 L111 P112 I186 S187 G189 F190R16-F105 HydrophobicContact CB-CE1 4.34Å; R16-F105 HydrophobicContact CB-CZ 3.76Å; L18-F105 HydrophobicContact CD1-CE1 4.05Å; A102-F105 HydrophobicContact CB-CE1 3.54Å; A102-F105 HydrophobicContact CB-CE2 4.33Å; A102-F105 HydrophobicContact CB-CZ 3.41Å; A102-F105 VanDerWaalsContact CB-CZ 3.41Å; A102-F105 WeakPolarHBondContact O-CZ 3.36Å; V103-F105 WeakPolarHBondContact O-CD2 3.37Å; V103-F105 WeakPolarHBondContact O-CE2 3.38Å; F105-W110 HydrophobicContact CB-CE3 3.71Å; F105-W110 HydrophobicContact CB-CZ3 4.19Å; F105-W110 WeakPolarHBondContact CD1-O 3.18Å; F105-W110 HydrophobicContact CG-CE3 4.26Å; F105-L111 WeakPolarHBondContact CA-O 3.38Å; F105-P112 HydrophobicContact CE1-CB 4.43Å; F105-I186 CarbonylContact O-C 3.59Å; F105-I186 WeakPolarHBondContact O-CA 3.37Å; F105-I186 WeakPolarHBondContact O-CB 3.37Å; F105-S187 PolarHBondContact N-O 3.22Å; F105-S187 PolarHBondContact O-N 3.14Å; F105-G189 WeakPolarHBondContact CD2-O 3.37Å; F105-F190 AromaticContact CD1-CD2 3.81Å; F105-F190 HydrophobicContact CD1-CD2 3.81Å; F105-F190 HydrophobicContact CD1-CE2 4.3Å; F105-F190 HydrophobicContact CD2-CB 4.45Å; F105-F190 HydrophobicContact CD2-CD2 4.39Å; F105-F190 AromaticContact CE1-CD2 3.59Å; F105-F190 HydrophobicContact CE1-CD2 3.59Å; F105-F190 HydrophobicContact CE1-CE2 4.19Å; F105-F190 HydrophobicContact CE2-CB 3.98Å; F105-F190 HydrophobicContact CE2-CD2 4.21Å; F105-F190 HydrophobicContact CG-CD2 4.2Å; F105-F190 HydrophobicContact CZ-CB 4.15Å; F105-F190 AromaticContact CZ-CD2 3.82Å; F105-F190 HydrophobicContact CZ-CD2 3.82Å; F105-F190 HydrophobicContact CZ-CG 4.44Å
106Q92.5Very high91.6Very high57 Ų5749.3 Ų49.327%0.26624%0.242SC..EExtended strand (participates in β ladder)trans-72.9125.5165.6-62.6176.815.200109.1I108 N109 W110 L111 L113 V184Q106-I108 PolarHBondContact O-N 3.43Å; Q106-I108 VanDerWaalsContact O-N 3.15Å; Q106-N109 WeakPolarHBondContact CB-OD1 3.41Å; Q106-N109 PolarHBondContact OE1-ND2 2.84Å; Q106-N109 PolarHBondContact OE1-OD1 2.78Å; Q106-W110 WeakPolarHBondContact O-CA 3.12Å; Q106-W110 PolarHBondContact O-N 3.47Å; Q106-L111 PolarHBondContact N-O 3.36Å; Q106-L113 HydrophobicContact CG-CD2 3.86Å; Q106-V184 HydrophobicContact CB-CG1 4.28Å; Q106-V184 HydrophobicContact CG-CG1 4.33Å
107K90.3Very high92.2Very high78 Ų7850.4 Ų50.434%0.33925%0.248SC..THydrogen-bonded Turntrans-65.6-20.6-178.2-70.9-166.6-1781790113.8W110 P185 I186K107-W110 HydrophobicContact CB-CZ2 4.37Å; K107-W110 HydrophobicContact CG-CH2 4.14Å; K107-W110 HydrophobicContact CG-CZ2 4.26Å; K107-W110 PolarHBondContact O-NE1 3.12Å; K107-P185 HydrophobicContact CB-CB 4.35Å; K107-P185 HydrophobicContact CB-CG 4.21Å; K107-P185 WeakPolarHBondContact CB-O 3.07Å; K107-P185 HydrophobicContact CD-CB 4.21Å; K107-P185 HydrophobicContact CG-CB 4.47Å; K107-P185 PolarHBondContact N-O 2.99Å; K107-I186 VanDerWaalsContact CE-O 3.3Å; K107-I186 WeakPolarHBondContact CE-O 3.12Å
108I88.9Confident92.5Very high122 Ų12250.8 Ų50.863%0.62625%0.251SS*.THydrogen-bonded Turntrans-70.1-43.7-175.6-58.3176.2000111.5Q106 V184Q106-I108 PolarHBondContact O-N 3.43Å; Q106-I108 VanDerWaalsContact O-N 3.15Å; I108-V184 HydrophobicContact CD1-CG1 3.77Å; I108-V184 HydrophobicContact CD1-CG2 4.28Å; I108-V184 HydrophobicContact CG1-CG1 4.23Å
109N89.5Confident92.6Very high74 Ų7451.6 Ų51.640%0.39625%0.254SS..THydrogen-bonded Turntrans-129.8-3.4-172.15821.9000113.2Q106 L111Q106-N109 WeakPolarHBondContact CB-OD1 3.41Å; Q106-N109 PolarHBondContact OE1-ND2 2.84Å; Q106-N109 PolarHBondContact OE1-OD1 2.78Å; N109-L111 HydrophobicContact CB-CD1 4.47Å; N109-L111 HydrophobicContact CB-CG 4.2Å; N109-L111 PolarHBondContact O-N 3.26Å; N109-L111 WeakPolarHBondContact OD1-CB 3.43Å; N109-L111 WeakPolarHBondContact OD1-CG 3.29Å; N109-L111 PolarHBondContact OD1-N 2.83Å
110W91.6Very high92.6Very high53 Ų5353.7 Ų53.720%0.20127%0.267CS..  trans54.428.7-176.2-60.897.2000114.1F105 Q106 K107 F190 V191F105-W110 HydrophobicContact CB-CE3 3.71Å; F105-W110 HydrophobicContact CB-CZ3 4.19Å; F105-W110 WeakPolarHBondContact CD1-O 3.18Å; F105-W110 HydrophobicContact CG-CE3 4.26Å; Q106-W110 WeakPolarHBondContact O-CA 3.12Å; Q106-W110 PolarHBondContact O-N 3.47Å; K107-W110 HydrophobicContact CB-CZ2 4.37Å; K107-W110 HydrophobicContact CG-CH2 4.14Å; K107-W110 HydrophobicContact CG-CZ2 4.26Å; K107-W110 PolarHBondContact O-NE1 3.12Å; W110-F190 HydrophobicContact CB-CE2 3.86Å; W110-F190 HydrophobicContact CB-CZ 4.44Å; W110-F190 HydrophobicContact CE3-CD2 4.5Å; W110-V191 HydrophobicContact CD2-CB 3.61Å; W110-V191 HydrophobicContact CD2-CG1 4.06Å; W110-V191 HydrophobicContact CD2-CG2 4.41Å; W110-V191 VanDerWaalsContact CE2-CB 3.44Å; W110-V191 HydrophobicContact CE3-CB 3.82Å; W110-V191 HydrophobicContact CE3-CG1 4.45Å; W110-V191 HydrophobicContact CG-CB 4.24Å; W110-V191 HydrophobicContact CG-CG1 4.19Å; W110-V191 HydrophobicContact CH2-CB 3.69Å; W110-V191 HydrophobicContact CH2-CG2 4.1Å; W110-V191 HydrophobicContact CZ2-CB 3.51Å; W110-V191 HydrophobicContact CZ2-CG2 3.58Å; W110-V191 HydrophobicContact CZ3-CB 3.85Å
111L91.3Very high92.6Very high53 Ų5352.6 Ų52.628%0.27726%0.26SS..PPolyproline II helixtrans-77.4145.5168.9-65.3179.9000110W29 F105 Q106 N109W29-L111 HydrophobicContact CB-CD2 4.4Å; F105-L111 WeakPolarHBondContact CA-O 3.38Å; Q106-L111 PolarHBondContact N-O 3.36Å; N109-L111 HydrophobicContact CB-CD1 4.47Å; N109-L111 HydrophobicContact CB-CG 4.2Å; N109-L111 PolarHBondContact O-N 3.26Å; N109-L111 WeakPolarHBondContact OD1-CB 3.43Å; N109-L111 WeakPolarHBondContact OD1-CG 3.29Å; N109-L111 PolarHBondContact OD1-N 2.83Å
112P93Very high92.6Very high17 Ų1750.9 Ų50.911%0.1126%0.255CS..BIsolated β-bridgetrans-67143.7178.130.4-35.8000110.1L18 W29 V100 A102 F105L18-P112 HydrophobicContact CD1-CB 4.34Å; L18-P112 HydrophobicContact CD1-CG 4.35Å; L18-P112 HydrophobicContact CD2-CG 4.28Å; W29-P112 HydrophobicContact CB-CG 4.14Å; W29-P112 HydrophobicContact CD2-CG 4.47Å; W29-P112 HydrophobicContact CG-CG 3.86Å; V100-P112 HydrophobicContact CG1-CG 4.48Å; A102-P112 HydrophobicContact CB-CB 3.52Å; F105-P112 HydrophobicContact CE1-CB 4.43Å
113L92.3Very high92.5Very high15 Ų1557.2 Ų57.28%0.07928%0.279CS..PPolyproline II helixtrans-67.8159.6164.7-66.9175.6000110W104 Q106 T115 I121 L164 I186W104-L113 HydrophobicContact CB-CB 4.46Å; W104-L113 HydrophobicContact CB-CD1 3.61Å; W104-L113 HydrophobicContact CB-CG 4.27Å; W104-L113 PolarHBondContact O-N 2.91Å; Q106-L113 HydrophobicContact CG-CD2 3.86Å; L113-T115 PolarHBondContact O-N 3.32Å; L113-I121 HydrophobicContact CD1-CD1 3.67Å; L113-L164 HydrophobicContact CD2-CD2 3.75Å; L113-I186 HydrophobicContact CD1-CD1 4.21Å; L113-I186 HydrophobicContact CD1-CG2 4.15Å; L113-I186 HydrophobicContact CD2-CG2 4.43Å
114D90.2Very high92.5Very high105 Ų10558 Ų5856%0.56128%0.283SS*.PPolyproline II helixtrans-53.9137.9170.7178.578000110.4K116 L117 S118D114-K116 VanDerWaalsContact C-N 3.32Å; D114-K116 PolarHBondContact O-N 2.81Å; D114-K116 WeakPolarHBondContact OD2-CB 3.42Å; D114-K116 PolarHBondContact OD2-N 2.9Å; D114-K116 VanDerWaalsContact OD2-N 3.12Å; D114-L117 HydrophobicContact CB-CB 4.22Å; D114-L117 PolarHBondContact O-N 3.29Å; D114-L117 VanDerWaalsContact O-N 3.13Å; D114-L117 PolarHBondContact OD2-N 2.9Å; D114-S118 WeakPolarHBondContact O-CB 3.25Å; D114-S118 PolarHBondContact O-N 3.29Å
115T90.8Very high92.5Very high67 Ų6758 Ų5841%0.41128%0.283SS..Hα-helixtrans-56.7-44.2-172.6-540000112.1L113 L117 S118 E119L113-T115 PolarHBondContact O-N 3.32Å; T115-L117 PolarHBondContact O-N 3.18Å; T115-S118 WeakPolarHBondContact O-CB 3.49Å; T115-S118 PolarHBondContact O-N 3.4Å; T115-E119 WeakPolarHBondContact O-CG 3.22Å; T115-E119 PolarHBondContact O-N 3.01Å
116K91.9Very high92.5Very high160 Ų16064.9 Ų64.970%0.69631%0.309SS*.Hα-helixtrans-67-41-179.8-63.5-178.9177.6-177.60111.4D114 V120D114-K116 VanDerWaalsContact C-N 3.32Å; D114-K116 PolarHBondContact O-N 2.81Å; D114-K116 WeakPolarHBondContact OD2-CB 3.42Å; D114-K116 PolarHBondContact OD2-N 2.9Å; D114-K116 VanDerWaalsContact OD2-N 3.12Å; K116-V120 WeakPolarHBondContact O-CG2 3.49Å; K116-V120 PolarHBondContact O-N 3.36Å
117L92.2Very high92.6Very high27 Ų2764.9 Ų64.914%0.14131%0.313CS..Hα-helixtrans-62.7-48.5175.1-18060.2000110D114 T115 E119 V120 I121 L164D114-L117 HydrophobicContact CB-CB 4.22Å; D114-L117 PolarHBondContact O-N 3.29Å; D114-L117 VanDerWaalsContact O-N 3.13Å; D114-L117 PolarHBondContact OD2-N 2.9Å; T115-L117 PolarHBondContact O-N 3.18Å; L117-E119 VanDerWaalsContact C-N 3.3Å; L117-E119 PolarHBondContact O-N 3.34Å; L117-V120 WeakPolarHBondContact O-CB 3.47Å; L117-V120 PolarHBondContact O-N 2.98Å; L117-V120 VanDerWaalsContact O-N 3.11Å; L117-I121 HydrophobicContact CD1-CD1 4.36Å; L117-I121 HydrophobicContact CD1-CG1 4.21Å; L117-I121 HydrophobicContact CG-CD1 4.14Å; L117-I121 HydrophobicContact CG-CG1 4.19Å; L117-I121 WeakPolarHBondContact O-CG1 2.97Å; L117-I121 PolarHBondContact O-N 3.2Å; L117-L164 HydrophobicContact CD2-CD1 4.26Å; L117-L164 HydrophobicContact CD2-CD2 3.97Å
118S93.3Very high92.8Very high15 Ų1565.8 Ų65.811%0.10532%0.315CS..Hα-helixtrans-55.6-41.3179-177.70000112.5D114 T115 I121 E122D114-S118 WeakPolarHBondContact O-CB 3.25Å; D114-S118 PolarHBondContact O-N 3.29Å; T115-S118 WeakPolarHBondContact O-CB 3.49Å; T115-S118 PolarHBondContact O-N 3.4Å; S118-I121 PolarHBondContact O-N 2.8Å; S118-E122 WeakPolarHBondContact O-CB 3.16Å; S118-E122 PolarHBondContact O-N 2.94Å
119E93.3Very high93Very high122 Ų12260 Ų6057%0.5729%0.285SS*.Hα-helixtrans-63.5-43.6175.7-74.1166.8-176.900112.2T115 L117 E122 Y123T115-E119 WeakPolarHBondContact O-CG 3.22Å; T115-E119 PolarHBondContact O-N 3.01Å; L117-E119 VanDerWaalsContact C-N 3.3Å; L117-E119 PolarHBondContact O-N 3.34Å; E119-E122 PolarHBondContact O-N 2.72Å; E119-Y123 PolarHBondContact O-N 3.12Å
120V93.8Very high93.1Very high53 Ų5356.6 Ų56.632%0.32127%0.267SS..Hα-helixtrans-63.9-44.5175.4173.10000111K116 L117 E122 Y123 E124 Y147K116-V120 WeakPolarHBondContact O-CG2 3.49Å; K116-V120 PolarHBondContact O-N 3.36Å; L117-V120 WeakPolarHBondContact O-CB 3.47Å; L117-V120 PolarHBondContact O-N 2.98Å; L117-V120 VanDerWaalsContact O-N 3.11Å; V120-E122 VanDerWaalsContact C-N 3.3Å; V120-E122 PolarHBondContact O-N 2.95Å; V120-Y123 PolarHBondContact O-N 3.49Å; V120-E124 HydrophobicContact CG1-CG 4.46Å; V120-E124 WeakPolarHBondContact O-CB 3.39Å; V120-E124 WeakPolarHBondContact O-CG 3.25Å; V120-E124 PolarHBondContact O-N 3.47Å; V120-Y147 HydrophobicContact CG1-CD1 4.37Å; V120-Y147 HydrophobicContact CG1-CE1 3.59Å; V120-Y147 HydrophobicContact CG1-CE2 4.41Å
121I94.1Very high93.1Very high0 Ų056.9 Ų56.90%028%0.275CS..Hα-helixtrans-60.5-44.3176.8-47.8-151.4000110W104 L113 L117 S118 E124 H125 I154 W156 I186W104-I121 HydrophobicContact CD2-CB 4.28Å; W104-I121 HydrophobicContact CD2-CG2 3.74Å; W104-I121 HydrophobicContact CE3-CG2 3.98Å; W104-I121 HydrophobicContact CG-CB 4.42Å; W104-I121 HydrophobicContact CG-CG2 4.38Å; W104-I121 HydrophobicContact CH2-CG2 3.91Å; W104-I121 HydrophobicContact CZ2-CG2 3.68Å; W104-I121 HydrophobicContact CZ3-CG2 4.05Å; L113-I121 HydrophobicContact CD1-CD1 3.67Å; L117-I121 HydrophobicContact CD1-CD1 4.36Å; L117-I121 HydrophobicContact CD1-CG1 4.21Å; L117-I121 HydrophobicContact CG-CD1 4.14Å; L117-I121 HydrophobicContact CG-CG1 4.19Å; L117-I121 WeakPolarHBondContact O-CG1 2.97Å; L117-I121 PolarHBondContact O-N 3.2Å; S118-I121 PolarHBondContact O-N 2.8Å; I121-E124 PolarHBondContact O-N 3.39Å; I121-H125 WeakPolarHBondContact O-CB 3.37Å; I121-H125 PolarHBondContact O-N 3.31Å; I121-I154 HydrophobicContact CB-CD1 4.23Å; I121-I154 HydrophobicContact CD1-CD1 3.56Å; I121-I154 HydrophobicContact CD1-CG1 4.23Å; I121-I154 HydrophobicContact CG1-CD1 3.5Å; I121-I154 HydrophobicContact CG2-CD1 4.31Å; I121-W156 HydrophobicContact CG2-CZ2 4.02Å; I121-I186 HydrophobicContact CD1-CD1 3.59Å; I121-I186 HydrophobicContact CG2-CD1 4.23Å
122E94.6Very high93.2Very high38 Ų3858.5 Ų58.518%0.17828%0.28CS..Hα-helixtrans-64.5-42.9-178.9-172.761.3-164.300112W104 S118 E119 V120 H125 R126 R188W104-E122 PolarHBondContact NE1-OE2 3.46Å; S118-E122 WeakPolarHBondContact O-CB 3.16Å; S118-E122 PolarHBondContact O-N 2.94Å; E119-E122 PolarHBondContact O-N 2.72Å; V120-E122 VanDerWaalsContact C-N 3.3Å; V120-E122 PolarHBondContact O-N 2.95Å; E122-H125 PolarHBondContact O-N 2.81Å; E122-R126 WeakPolarHBondContact O-CB 3.35Å; E122-R126 PolarHBondContact O-N 3.49Å; E122-R188 IonicContact OE1-CZ 3.19Å; E122-R188 IonicContact OE1-NE 3.04Å; E122-R188 PolarHBondContact OE1-NE 3.45Å; E122-R188 IonicContact OE1-NH2 3.75Å; E122-R188 PolarHBondContact OE1-NH2 2.93Å; E122-R188 IonicContact OE2-NE 3.62Å; E122-R188 PolarHBondContact OE2-NE 3.33Å
123Y94.6Very high93Very high136 Ų13658.1 Ų58.153%0.53328%0.277SS..Hα-helixtrans-61-50.5175.6177.5-96000112.1E119 V120 H125 R126 T127 Y128E119-Y123 PolarHBondContact O-N 3.12Å; V120-Y123 PolarHBondContact O-N 3.49Å; Y123-H125 VanDerWaalsContact C-N 3.31Å; Y123-H125 PolarHBondContact O-N 3Å; Y123-R126 PolarHBondContact O-N 3.31Å; Y123-T127 VanDerWaalsContact O-CB 3.22Å; Y123-T127 WeakPolarHBondContact O-CB 3.42Å; Y123-T127 PolarHBondContact O-N 3.46Å; Y123-T127 PolarHBondContact O-OG1 3.29Å; Y123-Y128 HydrophobicContact CE1-CE2 4.25Å
124E95.1Very high92.9Very high27 Ų2763.2 Ų63.213%0.12630%0.298CS..Hα-helixtrans-62.3-40.6178.2-72.4-68.6144.300111.5V120 I121 Y128 A129 H145 Y147 W156V120-E124 HydrophobicContact CG1-CG 4.46Å; V120-E124 WeakPolarHBondContact O-CB 3.39Å; V120-E124 WeakPolarHBondContact O-CG 3.25Å; V120-E124 PolarHBondContact O-N 3.47Å; I121-E124 PolarHBondContact O-N 3.39Å; E124-Y128 PolarHBondContact O-N 3Å; E124-Y128 VanDerWaalsContact OE2-CD2 3.28Å; E124-Y128 WeakPolarHBondContact OE2-CD2 3.19Å; E124-A129 PolarHBondContact O-N 2.99Å; E124-A129 VanDerWaalsContact O-N 3.13Å; E124-H145 IonicContact OE2-CE1 3.34Å; E124-H145 IonicContact OE2-NE2 2.67Å; E124-H145 PolarHBondContact OE2-NE2 3.26Å; E124-Y147 HydrophobicContact CG-CD2 3.59Å; E124-Y147 HydrophobicContact CG-CE2 4.05Å; E124-Y147 HydrophobicContact CG-CG 3.85Å; E124-Y147 WeakPolarHBondContact OE1-CD2 3.39Å; E124-W156 HydrophobicContact CB-CH2 3.82Å; E124-W156 HydrophobicContact CB-CZ2 4.21Å
125H94.5Very high92.8Very high0 Ų066.1 Ų66.10%031%0.306CS..Iπ-helixtrans-63.4-52179.3-177.164.7000111.3L5 W104 I121 E122 Y123 A129 I130 W156 R188L5-H125 PolarHBondContact O-CE1 3.31Å; L5-H125 PolarHBondContact O-NE2 3.05Å; W104-H125 HydrophobicContact CH2-CB 4.26Å; W104-H125 AromaticContact CH2-CG 3.91Å; W104-H125 HydrophobicContact CZ2-CB 3.79Å; W104-H125 AromaticContact CZ2-CD2 3.83Å; W104-H125 AromaticContact CZ2-CG 3.73Å; I121-H125 WeakPolarHBondContact O-CB 3.37Å; I121-H125 PolarHBondContact O-N 3.31Å; E122-H125 PolarHBondContact O-N 2.81Å; Y123-H125 VanDerWaalsContact C-N 3.31Å; Y123-H125 PolarHBondContact O-N 3Å; H125-A129 WeakPolarHBondContact O-CA 3.34Å; H125-A129 WeakPolarHBondContact O-CB 3.44Å; H125-A129 PolarHBondContact O-N 3.42Å; H125-A129 VanDerWaalsContact O-N 3.13Å; H125-I130 WeakPolarHBondContact O-CG1 3.39Å; H125-I130 PolarHBondContact O-N 2.95Å; H125-W156 HydrophobicContact CB-CZ2 4.26Å; H125-W156 AromaticContact CG-NE1 3.91Å; H125-W156 AromaticContact ND1-CD1 3.61Å; H125-W156 AromaticContact ND1-NE1 3.13Å; H125-W156 PolarHBondContact ND1-NE1 3.3Å; H125-W156 VanDerWaalsContact ND1-NE1 3.13Å; H125-R188 VanDerWaalsContact CD2-CD 3.41Å; H125-R188 WeakPolarHBondContact CD2-CD 3.48Å; H125-R188 WeakPolarHBondContact NE2-CD 3.3Å
126R93.8Very high92.6Very high144 Ų14465.2 Ų65.254%0.54330%0.3SS..Iπ-helixtrans-64.7-46-179.4-175.1178.9173.4-172.9-0.1112.1D8 E122 Y123D8-R126 WeakPolarHBondContact O-CD 3.31Å; E122-R126 WeakPolarHBondContact O-CB 3.35Å; E122-R126 PolarHBondContact O-N 3.49Å; Y123-R126 PolarHBondContact O-N 3.31Å
127T94.3Very high91.9Very high57 Ų5764 Ų6435%0.3531%0.307SS..Iπ-helixtrans-76.9-42.2-171.8-50.50000112.4Y123Y123-T127 VanDerWaalsContact O-CB 3.22Å; Y123-T127 WeakPolarHBondContact O-CB 3.42Å; Y123-T127 PolarHBondContact O-N 3.46Å; Y123-T127 PolarHBondContact O-OG1 3.29Å
128Y94.8Very high91.1Very high97 Ų9772.7 Ų72.738%0.3834%0.337SS..Iπ-helixtrans-120.1-36.8-169.7-54.5-66.9000114.2Y123 E124 K132Y123-Y128 HydrophobicContact CE1-CE2 4.25Å; E124-Y128 PolarHBondContact O-N 3Å; E124-Y128 VanDerWaalsContact OE2-CD2 3.28Å; E124-Y128 WeakPolarHBondContact OE2-CD2 3.19Å; Y128-K132 WeakPolarHBondContact O-CD 3.26Å; Y128-K132 VanDerWaalsContact O-CG 3.26Å; Y128-K132 WeakPolarHBondContact O-CG 3.2Å
129A92.9Very high90.2Very high0 Ų082.3 Ų82.30%038%0.377CS..Iπ-helixtrans-76.4-47-175.400000112.4E124 H125 K132 L133 W156E124-A129 PolarHBondContact O-N 2.99Å; E124-A129 VanDerWaalsContact O-N 3.13Å; H125-A129 WeakPolarHBondContact O-CA 3.34Å; H125-A129 WeakPolarHBondContact O-CB 3.44Å; H125-A129 PolarHBondContact O-N 3.42Å; H125-A129 VanDerWaalsContact O-N 3.13Å; A129-K132 PolarHBondContact O-N 3.46Å; A129-K132 VanDerWaalsContact O-N 3.15Å; A129-L133 HydrophobicContact CB-CD1 4.3Å; A129-L133 WeakPolarHBondContact O-CB 3.32Å; A129-L133 VanDerWaalsContact O-CG 3.31Å; A129-L133 WeakPolarHBondContact O-CG 3.42Å; A129-L133 PolarHBondContact O-N 2.96Å; A129-W156 HydrophobicContact CB-CD2 4.04Å; A129-W156 HydrophobicContact CB-CG 3.83Å
130I92.4Very high89.7Confident3 Ų379.4 Ų79.42%0.01537%0.371CS..Hα-helixtrans-55.7-51.2-178.9-70177.8000111.8L6 D7 H125 K132 L133 K134L6-I130 WeakPolarHBondContact O-CG2 3.34Å; D7-I130 WeakPolarHBondContact O-CD1 3.3Å; H125-I130 WeakPolarHBondContact O-CG1 3.39Å; H125-I130 PolarHBondContact O-N 2.95Å; I130-K132 PolarHBondContact O-N 3.47Å; I130-L133 PolarHBondContact O-N 3.13Å; I130-K134 HydrophobicContact CG2-CD 4.06Å; I130-K134 HydrophobicContact CG2-CG 4.49Å; I130-K134 WeakPolarHBondContact O-CG 3.39Å; I130-K134 PolarHBondContact O-N 3.36Å
131P92.2Very high89.1Confident59 Ų5985.7 Ų85.738%0.38340%0.396SS..Hα-helixtrans-61-31.8179.5-2535000113.6K135P131-K135 WeakPolarHBondContact O-CG 3.4Å
132K92.2Very high88.8Confident87 Ų8793.6 Ų93.638%0.37843%0.431SS..Hα-helixtrans-80.6-39.8179.1-64.4175.5-178.3172.80112Y128 A129 I130 K134 K135 V136 V144 H145Y128-K132 WeakPolarHBondContact O-CD 3.26Å; Y128-K132 VanDerWaalsContact O-CG 3.26Å; Y128-K132 WeakPolarHBondContact O-CG 3.2Å; A129-K132 PolarHBondContact O-N 3.46Å; A129-K132 VanDerWaalsContact O-N 3.15Å; I130-K132 PolarHBondContact O-N 3.47Å; K132-K134 VanDerWaalsContact C-N 3.34Å; K132-K135 PolarHBondContact O-N 3.04Å; K132-K135 VanDerWaalsContact O-N 3.13Å; K132-V136 PolarHBondContact O-N 3.41Å; K132-V144 HydrophobicContact CB-CG1 3.35Å; K132-V144 HydrophobicContact CD-CG1 4.43Å; K132-V144 HydrophobicContact CG-CG1 4.48Å; K132-H145 HydrophobicContact CD-CB 4.21Å; K132-H145 PolarHBondContact NZ-ND1 3.2Å
133L89.7Confident88.6Confident8 Ų893.7 Ų93.74%0.04244%0.435CS..Hα-helixtrans-62.7-40.1176.4-74.8168.5000111.5L6 A129 I130 K135 V136 V144L6-L133 HydrophobicContact CD2-CB 3.74Å; A129-L133 HydrophobicContact CB-CD1 4.3Å; A129-L133 WeakPolarHBondContact O-CB 3.32Å; A129-L133 VanDerWaalsContact O-CG 3.31Å; A129-L133 WeakPolarHBondContact O-CG 3.42Å; A129-L133 PolarHBondContact O-N 2.96Å; I130-L133 PolarHBondContact O-N 3.13Å; L133-K135 PolarHBondContact O-N 3.37Å; L133-V136 WeakPolarHBondContact O-CB 3.35Å; L133-V136 PolarHBondContact O-N 3.34Å; L133-V136 VanDerWaalsContact O-N 3.15Å; L133-V144 HydrophobicContact CD2-CB 4.46Å; L133-V144 HydrophobicContact CD2-CG2 4.25Å
134K89.2Confident88.5Confident122 Ų12289 Ų8953%0.5342%0.42SS..THydrogen-bonded Turntrans-59.7-24.1173.9-73.9178.7177.8170.10113.5L6 I130 K132L6-K134 HydrophobicContact CB-CG 4.48Å; L6-K134 HydrophobicContact CD1-CG 4.29Å; L6-K134 HydrophobicContact CD2-CG 4.17Å; L6-K134 WeakPolarHBondContact O-CE 3.24Å; L6-K134 PolarHBondContact O-NZ 3.29Å; I130-K134 HydrophobicContact CG2-CD 4.06Å; I130-K134 HydrophobicContact CG2-CG 4.49Å; I130-K134 WeakPolarHBondContact O-CG 3.39Å; I130-K134 PolarHBondContact O-N 3.36Å; K132-K134 VanDerWaalsContact C-N 3.34Å
135K88.9Confident88.4Confident167 Ų16788.8 Ų88.873%0.72642%0.419SS*.THydrogen-bonded Turntrans-93-3.3179.9-66.9177.3-176.6-177.30114P131 K132 L133 T137P131-K135 WeakPolarHBondContact O-CG 3.4Å; K132-K135 PolarHBondContact O-N 3.04Å; K132-K135 VanDerWaalsContact O-N 3.13Å; L133-K135 PolarHBondContact O-N 3.37Å; K135-T137 PolarHBondContact O-N 3.38Å
136V85.8Confident88.4Confident47 Ų4793.8 Ų93.829%0.28544%0.44SS..  trans-72.1112.5-177.71760000109.8K132 L133 R138 V144 P158K132-V136 PolarHBondContact O-N 3.41Å; L133-V136 WeakPolarHBondContact O-CB 3.35Å; L133-V136 PolarHBondContact O-N 3.34Å; L133-V136 VanDerWaalsContact O-N 3.15Å; V136-R138 WeakPolarHBondContact CG1-O 3.27Å; V136-V144 HydrophobicContact CG2-CG1 4.16Å; V136-V144 HydrophobicContact CG2-CG2 3.66Å; V136-P158 HydrophobicContact CG1-CB 3.79Å
137T78.9Confident88.4Confident136 Ų13689.7 Ų89.783%0.83443%0.426SS*.  trans-105.6-16.4176.254.80000113.4K135K135-T137 PolarHBondContact O-N 3.38Å
138R75.5Confident88.2Confident208 Ų20893 Ų9379%0.78544%0.437SS*.SBendtrans-130142.6-176.4-65.9-175.2178.9175.5-0.1111.6V136V136-R138 WeakPolarHBondContact CG1-O 3.27Å
139K73.2Confident87.7Confident217 Ų21790.7 Ų90.794%0.94344%0.435SS*.  trans-65132.1168.7-65.9-176.6179.9179.10109
140S82.4Confident86.9Confident62 Ų6297.6 Ų97.643%0.43447%0.472SS..  trans-144.1149.2176.8172.30000109.4K142 P158S140-K142 VanDerWaalsContact C-N 3.3Å; S140-K142 PolarHBondContact OG-N 3.11Å; S140-K142 VanDerWaalsContact OG-N 3.11Å; S140-P158 WeakPolarHBondContact O-CD 3.36Å; S140-P158 VanDerWaalsContact O-CG 3.27Å; S140-P158 WeakPolarHBondContact O-CG 3.49Å
141H82.1Confident86.5Confident184 Ų184101.7 Ų101.785%0.85249%0.494SS*.SBendtrans-82.7-10.2172.7-67.1-77.1000112.6M157H141-M157 WeakPolarHBondContact O-CE 3.47Å
142K88.5Confident86.2Confident167 Ų167101.4 Ų101.473%0.72649%0.487SS*.SBendtrans-83.6134.3177.2-65.3-176.7-179.71790109.6S140 P158S140-K142 VanDerWaalsContact C-N 3.3Å; S140-K142 PolarHBondContact OG-N 3.11Å; S140-K142 VanDerWaalsContact OG-N 3.11Å; K142-P158 WeakPolarHBondContact O-CD 3.37Å; K142-P158 WeakPolarHBondContact O-CG 3.4Å
143P89.5Confident86.2Confident40 Ų4098.6 Ų98.626%0.2648%0.475SS..  trans-64.1139.1176.623.5-29.2000110.5H145 K146 K155 W156 M157P143-H145 VanDerWaalsContact C-N 3.29Å; P143-K146 HydrophobicContact CB-CG 4.02Å; P143-K146 HydrophobicContact CG-CD 3.92Å; P143-K146 HydrophobicContact CG-CG 3.65Å; P143-K155 HydrophobicContact CB-CB 4.24Å; P143-W156 CarbonylContact C-O 3.56Å; P143-W156 VanDerWaalsContact CA-O 3.26Å; P143-W156 WeakPolarHBondContact CA-O 3.3Å; P143-W156 WeakPolarHBondContact CB-O 3.34Å; P143-M157 HydrophobicContact CB-SD 3.9Å
144V92.2Very high86.4Confident37 Ų3798.2 Ų98.222%0.22447%0.473CS..SBendtrans-68.1-35.4177.4179.50000110.7K132 L133 V136 W156 P158K132-V144 HydrophobicContact CB-CG1 3.35Å; K132-V144 HydrophobicContact CD-CG1 4.43Å; K132-V144 HydrophobicContact CG-CG1 4.48Å; L133-V144 HydrophobicContact CD2-CB 4.46Å; L133-V144 HydrophobicContact CD2-CG2 4.25Å; V136-V144 HydrophobicContact CG2-CG1 4.16Å; V136-V144 HydrophobicContact CG2-CG2 3.66Å; V144-W156 PolarHBondContact N-O 3.19Å; V144-P158 HydrophobicContact CG2-CB 3.98Å; V144-P158 HydrophobicContact CG2-CG 3.61Å
145H94.2Very high86.6Confident22 Ų2294.8 Ų94.810%0.10246%0.459CS..EExtended strand (participates in β ladder)trans-146.6150.9176.2-176.948.9000109.8E124 K132 P143 W156E124-H145 IonicContact OE2-CE1 3.34Å; E124-H145 IonicContact OE2-NE2 2.67Å; E124-H145 PolarHBondContact OE2-NE2 3.26Å; K132-H145 HydrophobicContact CD-CB 4.21Å; K132-H145 PolarHBondContact NZ-ND1 3.2Å; P143-H145 VanDerWaalsContact C-N 3.29Å; H145-W156 HydrophobicContact CB-CB 4.3Å; H145-W156 HydrophobicContact CB-CE3 4.12Å; H145-W156 AromaticContact CD2-CE3 3.48Å; H145-W156 VanDerWaalsContact CD2-CE3 3.48Å; H145-W156 AromaticContact CD2-CZ3 3.51Å; H145-W156 PolarHBondContact N-O 3.47Å; H145-W156 PolarHBondContact O-N 3.38Å
146K93.4Very high86.9Confident105 Ų10586.9 Ų86.946%0.45742%0.424SS..EExtended strand (participates in β ladder)trans-136.6140.5174.4-67.2-172.9168.1-158.50108.6P143 E153 I154 K155P143-K146 HydrophobicContact CB-CG 4.02Å; P143-K146 HydrophobicContact CG-CD 3.92Å; P143-K146 HydrophobicContact CG-CG 3.65Å; K146-E153 IonicContact NZ-OE1 3.51Å; K146-E153 PolarHBondContact NZ-OE1 3.02Å; K146-I154 VanDerWaalsContact CA-O 3.26Å; K146-I154 WeakPolarHBondContact CA-O 3.41Å; K146-K155 HydrophobicContact CG-CG 4.33Å
147Y93.6Very high87.2Confident59 Ų5986.2 Ų86.223%0.23142%0.418CS..EExtended strand (participates in β ladder)trans-122.6137.4168173.4-99.1000108.1V120 E124 E153 I154V120-Y147 HydrophobicContact CG1-CD1 4.37Å; V120-Y147 HydrophobicContact CG1-CE1 3.59Å; V120-Y147 HydrophobicContact CG1-CE2 4.41Å; E124-Y147 HydrophobicContact CG-CD2 3.59Å; E124-Y147 HydrophobicContact CG-CE2 4.05Å; E124-Y147 HydrophobicContact CG-CG 3.85Å; E124-Y147 WeakPolarHBondContact OE1-CD2 3.39Å; Y147-E153 CarbonylContact O-C 3.49Å; Y147-E153 WeakPolarHBondContact O-CA 3.44Å; Y147-I154 HydrophobicContact CD1-CD1 3.86Å; Y147-I154 HydrophobicContact CD1-CG1 4.41Å; Y147-I154 PolarHBondContact N-O 2.89Å; Y147-I154 PolarHBondContact O-N 3.12Å
148Q90.1Very high87.7Confident127 Ų12780.2 Ų80.259%0.59338%0.382SS*.EExtended strand (participates in β ladder)trans-133.3128.6-178.9-178.8173.1-32.300110.1
149S85.2Confident88.3Confident48 Ų4874.9 Ų74.934%0.33637%0.369SS..  trans-119.1177.4170.2-177.90000109.5N151 H152 K167S149-N151 PolarHBondContact O-N 3.5Å; S149-H152 PolarHBondContact N-O 3.11Å; S149-K167 PolarHBondContact O-NZ 3.29Å
150N76.4Confident89Confident144 Ų14465.2 Ų65.277%0.7733%0.33SS*.SBendtrans-58.2-35.4-178.2-71.3-5.6000112K167N150-K167 WeakPolarHBondContact O-CD 3.4Å
151N83.3Confident89.4Confident89 Ų8963.4 Ų63.448%0.47632%0.317SS..SBendtrans-111.8-13.6-174.3-63.4-8.9000114.6S149 K167S149-N151 PolarHBondContact O-N 3.5Å; N151-K167 PolarHBondContact O-N 2.82Å
152H86.3Confident89.9Confident53 Ų5354.8 Ų54.825%0.24528%0.277CS..EExtended strand (participates in β ladder)trans-138.5143.3-170.6-55.197.2000111.8S149 L164 V165S149-H152 PolarHBondContact N-O 3.11Å; H152-L164 HydrophobicContact CB-CD1 4.04Å; H152-V165 CarbonylContact C-O 3.59Å; H152-V165 VanDerWaalsContact CA-O 3.29Å; H152-V165 WeakPolarHBondContact CA-O 3.15Å
153E91.7Very high90.1Very high28 Ų2850.5 Ų50.513%0.13126%0.257CS..EExtended strand (participates in β ladder)trans-122.6126.7164.9-178.9-168-173.200108.3K146 Y147 K155 V165K146-E153 IonicContact NZ-OE1 3.51Å; K146-E153 PolarHBondContact NZ-OE1 3.02Å; Y147-E153 CarbonylContact O-C 3.49Å; Y147-E153 WeakPolarHBondContact O-CA 3.44Å; E153-K155 HydrophobicContact CG-CG 4.38Å; E153-K155 WeakPolarHBondContact OE1-CE 3.46Å; E153-K155 IonicContact OE1-NZ 2.86Å; E153-K155 WeakPolarHBondContact OE2-CE 3.24Å; E153-K155 IonicContact OE2-NZ 3.03Å; E153-K155 PolarHBondContact OE2-NZ 3.1Å; E153-V165 HydrophobicContact CB-CB 4.14Å; E153-V165 PolarHBondContact N-O 2.96Å; E153-V165 WeakPolarHBondContact O-CA 3.28Å; E153-V165 WeakPolarHBondContact O-CB 3.47Å; E153-V165 PolarHBondContact O-N 3.18Å
154I93.2Very high90.2Very high0 Ų049.1 Ų49.10%025%0.247CC..EExtended strand (participates in β ladder)trans-108.5131.3177.4-51.9164.8000108.2I121 K146 Y147 W156 I162 Y163 L164I121-I154 HydrophobicContact CB-CD1 4.23Å; I121-I154 HydrophobicContact CD1-CD1 3.56Å; I121-I154 HydrophobicContact CD1-CG1 4.23Å; I121-I154 HydrophobicContact CG1-CD1 3.5Å; I121-I154 HydrophobicContact CG2-CD1 4.31Å; K146-I154 VanDerWaalsContact CA-O 3.26Å; K146-I154 WeakPolarHBondContact CA-O 3.41Å; Y147-I154 HydrophobicContact CD1-CD1 3.86Å; Y147-I154 HydrophobicContact CD1-CG1 4.41Å; Y147-I154 PolarHBondContact N-O 2.89Å; Y147-I154 PolarHBondContact O-N 3.12Å; I154-W156 HydrophobicContact CB-CE3 4.42Å; I154-W156 HydrophobicContact CB-CH2 3.73Å; I154-W156 HydrophobicContact CB-CZ2 4.49Å; I154-W156 HydrophobicContact CB-CZ3 3.68Å; I154-W156 HydrophobicContact CD1-CH2 4.21Å; I154-W156 HydrophobicContact CG2-CD2 4.23Å; I154-W156 HydrophobicContact CG2-CE3 3.93Å; I154-W156 HydrophobicContact CG2-CH2 3.39Å; I154-W156 HydrophobicContact CG2-CZ2 3.68Å; I154-W156 HydrophobicContact CG2-CZ3 3.52Å; I154-I162 HydrophobicContact CG2-CG2 3.75Å; I154-Y163 CarbonylContact C-O 3.59Å; I154-Y163 VanDerWaalsContact CA-O 3.3Å; I154-Y163 WeakPolarHBondContact CA-O 3.37Å; I154-L164 HydrophobicContact CG1-CD1 4Å
155K94Very high90Very high51 Ų5148.1 Ų48.122%0.22224%0.241CC..EExtended strand (participates in β ladder)trans-122.1119.7-178.3-63.7172.9-177.8162.20109.9P143 K146 E153 I162 Y163 V165P143-K155 HydrophobicContact CB-CB 4.24Å; K146-K155 HydrophobicContact CG-CG 4.33Å; E153-K155 HydrophobicContact CG-CG 4.38Å; E153-K155 WeakPolarHBondContact OE1-CE 3.46Å; E153-K155 IonicContact OE1-NZ 2.86Å; E153-K155 WeakPolarHBondContact OE2-CE 3.24Å; E153-K155 IonicContact OE2-NZ 3.03Å; E153-K155 PolarHBondContact OE2-NZ 3.1Å; K155-I162 CarbonylContact O-C 3.42Å; K155-I162 VanDerWaalsContact O-CA 3.31Å; K155-I162 WeakPolarHBondContact O-CA 3.24Å; K155-Y163 PolarHBondContact N-O 3.18Å; K155-Y163 PolarHBondContact O-N 3.2Å; K155-V165 HydrophobicContact CD-CG2 4.36Å
156W94.5Very high89.5Confident0 Ų049.2 Ų49.20%025%0.25CC..EExtended strand (participates in β ladder)trans-95.8117.8170.9-68.2-101.6000109.2I121 E124 H125 A129 P143 V144 H145 I154 I162I121-W156 HydrophobicContact CG2-CZ2 4.02Å; E124-W156 HydrophobicContact CB-CH2 3.82Å; E124-W156 HydrophobicContact CB-CZ2 4.21Å; H125-W156 HydrophobicContact CB-CZ2 4.26Å; H125-W156 AromaticContact CG-NE1 3.91Å; H125-W156 AromaticContact ND1-CD1 3.61Å; H125-W156 AromaticContact ND1-NE1 3.13Å; H125-W156 PolarHBondContact ND1-NE1 3.3Å; H125-W156 VanDerWaalsContact ND1-NE1 3.13Å; A129-W156 HydrophobicContact CB-CD2 4.04Å; A129-W156 HydrophobicContact CB-CG 3.83Å; P143-W156 CarbonylContact C-O 3.56Å; P143-W156 VanDerWaalsContact CA-O 3.26Å; P143-W156 WeakPolarHBondContact CA-O 3.3Å; P143-W156 WeakPolarHBondContact CB-O 3.34Å; V144-W156 PolarHBondContact N-O 3.19Å; H145-W156 HydrophobicContact CB-CB 4.3Å; H145-W156 HydrophobicContact CB-CE3 4.12Å; H145-W156 AromaticContact CD2-CE3 3.48Å; H145-W156 VanDerWaalsContact CD2-CE3 3.48Å; H145-W156 AromaticContact CD2-CZ3 3.51Å; H145-W156 PolarHBondContact N-O 3.47Å; H145-W156 PolarHBondContact O-N 3.38Å; I154-W156 HydrophobicContact CB-CE3 4.42Å; I154-W156 HydrophobicContact CB-CH2 3.73Å; I154-W156 HydrophobicContact CB-CZ2 4.49Å; I154-W156 HydrophobicContact CB-CZ3 3.68Å; I154-W156 HydrophobicContact CD1-CH2 4.21Å; I154-W156 HydrophobicContact CG2-CD2 4.23Å; I154-W156 HydrophobicContact CG2-CE3 3.93Å; I154-W156 HydrophobicContact CG2-CH2 3.39Å; I154-W156 HydrophobicContact CG2-CZ2 3.68Å; I154-W156 HydrophobicContact CG2-CZ3 3.52Å; W156-I162 VanDerWaalsContact CD1-CG1 3.47Å; W156-I162 HydrophobicContact CD2-CG2 4.34Å; W156-I162 HydrophobicContact CG-CD1 4.45Å; W156-I162 HydrophobicContact CG-CG1 4.17Å; W156-I162 HydrophobicContact CG-CG2 4.31Å
157M92.8Very high88.4Confident33 Ų3348 Ų4816%0.16324%0.244CC..  trans-92.9154.9-176.4-58.1-61.2-69.900111.4H141 P143 D159 G160 T161 Y163H141-M157 WeakPolarHBondContact O-CE 3.47Å; P143-M157 HydrophobicContact CB-SD 3.9Å; M157-D159 WeakPolarHBondContact CB-OD1 3.48Å; M157-D159 PolarHBondContact O-N 2.98Å; M157-G160 PolarHBondContact O-N 2.94Å; M157-T161 VanDerWaalsContact CB-O 3.22Å; M157-T161 WeakPolarHBondContact CB-O 3.37Å; M157-T161 WeakPolarHBondContact CG-O 3.38Å; M157-T161 PolarHBondContact N-O 2.96Å; M157-Y163 HydrophobicContact CG-CD2 3.8Å; M157-Y163 HydrophobicContact CG-CE2 3.81Å; M157-Y163 HydrophobicContact SD-CD2 4.49Å
158P89.4Confident86.8Confident11 Ų1150.2 Ų50.27%0.07127%0.268CS..THydrogen-bonded Turntrans-60.9-23-179.4-26.236.2000115.2M1 V136 S140 K142 V144 G160M1-P158 VanDerWaalsContact CE-O 3.22Å; M1-P158 WeakPolarHBondContact CE-O 3.34Å; V136-P158 HydrophobicContact CG1-CB 3.79Å; S140-P158 WeakPolarHBondContact O-CD 3.36Å; S140-P158 VanDerWaalsContact O-CG 3.27Å; S140-P158 WeakPolarHBondContact O-CG 3.49Å; K142-P158 WeakPolarHBondContact O-CD 3.37Å; K142-P158 WeakPolarHBondContact O-CG 3.4Å; V144-P158 HydrophobicContact CG2-CB 3.98Å; V144-P158 HydrophobicContact CG2-CG 3.61Å; P158-G160 PolarHBondContact O-N 3.22Å
159D87.9Confident85Confident96 Ų9645.8 Ų45.851%0.51325%0.254SS..THydrogen-bonded Turntrans-80.4-3.5175.768.6-20.9000113.4M157 T161M157-D159 WeakPolarHBondContact CB-OD1 3.48Å; M157-D159 PolarHBondContact O-N 2.98Å; D159-T161 VanDerWaalsContact CG-OG1 3.3Å; D159-T161 VanDerWaalsContact OD1-CB 3.29Å; D159-T161 WeakPolarHBondContact OD1-CB 3.43Å; D159-T161 PolarHBondContact OD1-N 3.05Å; D159-T161 PolarHBondContact OD1-OG1 3.06Å; D159-T161 PolarHBondContact OD2-OG1 3.43Å
160G87.8Confident83Confident13 Ų1352.2 Ų52.213%0.13428%0.278CS..SBendtrans87.42.4-175.300000114L5 M157 P158L5-G160 WeakPolarHBondContact CD2-O 3.33Å; M157-G160 PolarHBondContact O-N 2.94Å; P158-G160 PolarHBondContact O-N 3.22Å
161T90.6Very high81.3Confident25 Ų2548.7 Ų48.715%0.15326%0.263CS..  trans-74.2136.6173.4-570000109.9M157 D159 Y163M157-T161 VanDerWaalsContact CB-O 3.22Å; M157-T161 WeakPolarHBondContact CB-O 3.37Å; M157-T161 WeakPolarHBondContact CG-O 3.38Å; M157-T161 PolarHBondContact N-O 2.96Å; D159-T161 VanDerWaalsContact CG-OG1 3.3Å; D159-T161 VanDerWaalsContact OD1-CB 3.29Å; D159-T161 WeakPolarHBondContact OD1-CB 3.43Å; D159-T161 PolarHBondContact OD1-N 3.05Å; D159-T161 PolarHBondContact OD1-OG1 3.06Å; D159-T161 PolarHBondContact OD2-OG1 3.43Å; T161-Y163 HydrophobicContact CG2-CD2 4.16Å; T161-Y163 HydrophobicContact CG2-CE1 4.2Å; T161-Y163 HydrophobicContact CG2-CE2 3.53Å
162I93.7Very high79.3Confident3 Ų352.7 Ų52.72%0.01528%0.277CS..EExtended strand (participates in β ladder)trans-120.3129.2-179.9-53170.8000108L5 W104 I154 K155 W156 P185 I186L5-I162 HydrophobicContact CD1-CD1 4.06Å; W104-I162 HydrophobicContact CH2-CD1 3.47Å; W104-I162 VanDerWaalsContact CH2-CD1 3.47Å; W104-I162 HydrophobicContact CZ3-CD1 3.52Å; I154-I162 HydrophobicContact CG2-CG2 3.75Å; K155-I162 CarbonylContact O-C 3.42Å; K155-I162 VanDerWaalsContact O-CA 3.31Å; K155-I162 WeakPolarHBondContact O-CA 3.24Å; W156-I162 VanDerWaalsContact CD1-CG1 3.47Å; W156-I162 HydrophobicContact CD2-CG2 4.34Å; W156-I162 HydrophobicContact CG-CD1 4.45Å; W156-I162 HydrophobicContact CG-CG1 4.17Å; W156-I162 HydrophobicContact CG-CG2 4.31Å; I162-P185 CarbonylContact O-C 3.54Å; I162-P185 WeakPolarHBondContact O-CA 3.42Å; I162-I186 HydrophobicContact CB-CD1 4.45Å; I162-I186 HydrophobicContact CB-CG1 3.84Å; I162-I186 HydrophobicContact CG2-CD1 3.72Å; I162-I186 HydrophobicContact CG2-CG1 3.62Å; I162-I186 PolarHBondContact O-N 3.02Å
163Y93.4Very high76.9Confident77 Ų7754.4 Ų54.430%0.30231%0.309SS..EExtended strand (participates in β ladder)trans-114131.7179.4-67.6-78.8000110.6I154 K155 M157 T161 S183 P185I154-Y163 CarbonylContact C-O 3.59Å; I154-Y163 VanDerWaalsContact CA-O 3.3Å; I154-Y163 WeakPolarHBondContact CA-O 3.37Å; K155-Y163 PolarHBondContact N-O 3.18Å; K155-Y163 PolarHBondContact O-N 3.2Å; M157-Y163 HydrophobicContact CG-CD2 3.8Å; M157-Y163 HydrophobicContact CG-CE2 3.81Å; M157-Y163 HydrophobicContact SD-CD2 4.49Å; T161-Y163 HydrophobicContact CG2-CD2 4.16Å; T161-Y163 HydrophobicContact CG2-CE1 4.2Å; T161-Y163 HydrophobicContact CG2-CE2 3.53Å; Y163-S183 WeakPolarHBondContact CB-OG 3.4Å; Y163-S183 WeakPolarHBondContact CD1-OG 3.09Å; Y163-P185 HydrophobicContact CD1-CB 4.11Å; Y163-P185 HydrophobicContact CE1-CB 3.96Å
164L91.7Very high74.5Confident11 Ų1163 Ų636%0.05835%0.346CS..EExtended strand (participates in β ladder)trans-97.4121166.3175.164.1000108.7L113 L117 H152 I154 S183 V184 I186L113-L164 HydrophobicContact CD2-CD2 3.75Å; L117-L164 HydrophobicContact CD2-CD1 4.26Å; L117-L164 HydrophobicContact CD2-CD2 3.97Å; H152-L164 HydrophobicContact CB-CD1 4.04Å; I154-L164 HydrophobicContact CG1-CD1 4Å; L164-S183 WeakPolarHBondContact O-CA 3.11Å; L164-V184 PolarHBondContact N-O 3.34Å; L164-V184 PolarHBondContact O-N 2.87Å; L164-I186 HydrophobicContact CB-CD1 4.4Å; L164-I186 HydrophobicContact CB-CG2 3.79Å; L164-I186 HydrophobicContact CD2-CG2 4.5Å
165V88Confident72Confident15 Ų1567.3 Ų67.39%0.09137%0.372CS..EExtended strand (participates in β ladder)trans-109.6117.3178.4-173.40000109.2H152 E153 K155 S182H152-V165 CarbonylContact C-O 3.59Å; H152-V165 VanDerWaalsContact CA-O 3.29Å; H152-V165 WeakPolarHBondContact CA-O 3.15Å; E153-V165 HydrophobicContact CB-CB 4.14Å; E153-V165 PolarHBondContact N-O 2.96Å; E153-V165 WeakPolarHBondContact O-CA 3.28Å; E153-V165 WeakPolarHBondContact O-CB 3.47Å; E153-V165 PolarHBondContact O-N 3.18Å; K155-V165 HydrophobicContact CD-CG2 4.36Å; V165-S182 CarbonylContact C-O 3.55Å; V165-S182 WeakPolarHBondContact CA-O 3.45Å; V165-S182 VanDerWaalsContact CG1-OG 3.25Å; V165-S182 WeakPolarHBondContact CG1-OG 3.33Å
166T82.7Confident69.1Low46 Ų4676 Ų7628%0.28240%0.403SS..EExtended strand (participates in β ladder)trans-93.3124.4176.952.10000110.4S168 S182T166-S168 VanDerWaalsContact C-N 3.34Å; T166-S182 PolarHBondContact N-O 3.22Å; T166-S182 PolarHBondContact O-OG 3.36Å
167K70.4Confident66.4Low79 Ų7981 Ų8134%0.34343%0.43SS..G310 helixtrans-73.3-24.7-179.6-70.4172.6171.5177.30113.3S149 N150 N151 A169S149-K167 PolarHBondContact O-NZ 3.29Å; N150-K167 WeakPolarHBondContact O-CD 3.4Å; N151-K167 PolarHBondContact O-N 2.82Å; K167-A169 PolarHBondContact O-N 3.48Å; K167-A169 VanDerWaalsContact O-N 3.16Å
168S60.6Low63.5Low105 Ų10588.5 Ų88.573%0.73446%0.464SS*.G310 helixtrans-742.3177.5-54.30000114.6T166T166-S168 VanDerWaalsContact C-N 3.34Å
169A51Low61Low35 Ų3590.5 Ų90.529%0.28949%0.487SS..G310 helixtrans-98.426.6174.600000112.5K167 P171K167-A169 PolarHBondContact O-N 3.48Å; K167-A169 VanDerWaalsContact O-N 3.16Å; A169-P171 WeakPolarHBondContact O-CD 3.16Å; A169-P171 VanDerWaalsContact O-CG 3.27Å; A169-P171 WeakPolarHBondContact O-CG 3.11Å; A169-P171 VanDerWaalsContact O-N 3.1Å
170E42.9Very low58.6Low182 Ų18289.2 Ų89.285%0.8550%0.496SS*.  trans-65.397.1157.6-77.2-169.8167.200107.7
171P41.5Very low56.8Low70 Ų7094.9 Ų94.946%0.45552%0.523SS..  trans-86135.1-168.110.59.6000108.1A169 G173A169-P171 WeakPolarHBondContact O-CD 3.16Å; A169-P171 VanDerWaalsContact O-CG 3.27Å; A169-P171 WeakPolarHBondContact O-CG 3.11Å; A169-P171 VanDerWaalsContact O-N 3.1Å; P171-G173 PolarHBondContact O-N 3.25Å
172F41.4Very low55.5Low173 Ų17395.7 Ų95.776%0.75953%0.529SS*.  trans34.592.6153.5-55.5-83.4000114.5K174 V175F172-K174 PolarHBondContact O-N 3.13Å; F172-V175 PolarHBondContact O-N 3.29Å
173G35.7Very low54.9Low90 Ų9097.8 Ų97.893%0.92854%0.544SS*.THydrogen-bonded Turntrans-52.515.3-169.100000120.1P171P171-G173 PolarHBondContact O-N 3.25Å
174K40.9Very low54.7Low208 Ų20895.7 Ų95.790%0.90454%0.539SS*.THydrogen-bonded Turntrans-140.96.6169.6-68.9-171.9176.4176.50115.6F172F172-K174 PolarHBondContact O-N 3.13Å
175V42.1Very low54.7Low90 Ų9096.9 Ų96.955%0.54555%0.548SS..  trans-117.798.8-180-171.60000111.5F172 L177F172-V175 PolarHBondContact O-N 3.29Å; V175-L177 VanDerWaalsContact C-N 3.35Å; V175-L177 HydrophobicContact CG1-CG 4.32Å; V175-L177 PolarHBondContact O-N 3.08Å
176R32.8Very low55Low233 Ų23396.2 Ų96.288%0.87954%0.543SS*.  trans-71.787.2167.7-77.5-177.9170172.1-2.3109.6H178R176-H178 PolarHBondContact O-N 3.39Å; R176-H178 VanDerWaalsContact O-N 3.14Å
177L36.9Very low55.6Low106 Ų10694.8 Ų94.856%0.55554%0.536SS*.  trans-63.3113.1164-74.3166.9000108.4V175 G179 L181V175-L177 VanDerWaalsContact C-N 3.35Å; V175-L177 HydrophobicContact CG1-CG 4.32Å; V175-L177 PolarHBondContact O-N 3.08Å; L177-G179 PolarHBondContact O-N 3.03Å; L177-L181 HydrophobicContact CD1-CD1 4.27Å
178H32.5Very low56.7Low191 Ų19191.1 Ų91.188%0.88452%0.519SS*.SBendtrans-67.4100.3172.3-8215.1000109.3R176R176-H178 PolarHBondContact O-N 3.39Å; R176-H178 VanDerWaalsContact O-N 3.14Å
179G36.4Very low58.2Low53 Ų5386.1 Ų86.155%0.54649%0.485SS..SBendtrans134.5104.6178.800000111.4L177 L181L177-G179 PolarHBondContact O-N 3.03Å; G179-L181 PolarHBondContact O-N 3.18Å
180G39.1Very low60.3Low69 Ų6986.1 Ų86.171%0.71148%0.478SS*.  trans-65.276.7-168.800000116.1S182 S183G180-S182 PolarHBondContact O-N 3.41Å; G180-S183 PolarHBondContact O-N 2.94Å
181L48.7Very low62.6Low132 Ų13280.9 Ų80.969%0.69146%0.458SS*.THydrogen-bonded Turntrans-58-7.1173.8-83.1148000114.8L177 G179 S183L177-L181 HydrophobicContact CD1-CD1 4.27Å; G179-L181 PolarHBondContact O-N 3.18Å; L181-S183 VanDerWaalsContact C-N 3.33Å
182S62.8Low65Low41 Ų4182.5 Ų82.529%0.28746%0.456SS..THydrogen-bonded Turntrans-72.9-25175.7-177.60000112.6V165 T166 G180V165-S182 CarbonylContact C-O 3.55Å; V165-S182 WeakPolarHBondContact CA-O 3.45Å; V165-S182 VanDerWaalsContact CG1-OG 3.25Å; V165-S182 WeakPolarHBondContact CG1-OG 3.33Å; T166-S182 PolarHBondContact N-O 3.22Å; T166-S182 PolarHBondContact O-OG 3.36Å; G180-S182 PolarHBondContact O-N 3.41Å
183S81.7Confident67.5Low47 Ų4778 Ų7833%0.32944%0.444SS..EExtended strand (participates in β ladder)trans-112.4112.4-174.8-178.20000112.6Y163 L164 G180 L181Y163-S183 WeakPolarHBondContact CB-OG 3.4Å; Y163-S183 WeakPolarHBondContact CD1-OG 3.09Å; L164-S183 WeakPolarHBondContact O-CA 3.11Å; G180-S183 PolarHBondContact O-N 2.94Å; L181-S183 VanDerWaalsContact C-N 3.33Å
184V88.7Confident70.3Confident33 Ų3373.9 Ų73.920%0.240%0.401CS..EExtended strand (participates in β ladder)trans-108.8127.5179.9176.30000110.3Q106 I108 L164Q106-V184 HydrophobicContact CB-CG1 4.28Å; Q106-V184 HydrophobicContact CG-CG1 4.33Å; I108-V184 HydrophobicContact CD1-CG1 3.77Å; I108-V184 HydrophobicContact CD1-CG2 4.28Å; I108-V184 HydrophobicContact CG1-CG1 4.23Å; L164-V184 PolarHBondContact N-O 3.34Å; L164-V184 PolarHBondContact O-N 2.87Å
185P92.8Very high72.9Confident36 Ų3669.1 Ų69.123%0.23438%0.382CS..EExtended strand (participates in β ladder)trans-69.3134174.128-32.9000110.9K107 I162 Y163K107-P185 HydrophobicContact CB-CB 4.35Å; K107-P185 HydrophobicContact CB-CG 4.21Å; K107-P185 WeakPolarHBondContact CB-O 3.07Å; K107-P185 HydrophobicContact CD-CB 4.21Å; K107-P185 HydrophobicContact CG-CB 4.47Å; K107-P185 PolarHBondContact N-O 2.99Å; I162-P185 CarbonylContact O-C 3.54Å; I162-P185 WeakPolarHBondContact O-CA 3.42Å; Y163-P185 HydrophobicContact CD1-CB 4.11Å; Y163-P185 HydrophobicContact CE1-CB 3.96Å
186I94.4Very high75.3Confident1 Ų169.5 Ų69.51%0.00538%0.384CS..EExtended strand (participates in β ladder)trans-117.3157.917863.5172.5000111W104 F105 K107 L113 I121 I162 L164W104-I186 HydrophobicContact CE3-CD1 3.8Å; W104-I186 HydrophobicContact CE3-CG1 4.16Å; W104-I186 HydrophobicContact CZ3-CD1 4.03Å; W104-I186 HydrophobicContact CZ3-CG1 4.23Å; F105-I186 CarbonylContact O-C 3.59Å; F105-I186 WeakPolarHBondContact O-CA 3.37Å; F105-I186 WeakPolarHBondContact O-CB 3.37Å; K107-I186 VanDerWaalsContact CE-O 3.3Å; K107-I186 WeakPolarHBondContact CE-O 3.12Å; L113-I186 HydrophobicContact CD1-CD1 4.21Å; L113-I186 HydrophobicContact CD1-CG2 4.15Å; L113-I186 HydrophobicContact CD2-CG2 4.43Å; I121-I186 HydrophobicContact CD1-CD1 3.59Å; I121-I186 HydrophobicContact CG2-CD1 4.23Å; I162-I186 HydrophobicContact CB-CD1 4.45Å; I162-I186 HydrophobicContact CB-CG1 3.84Å; I162-I186 HydrophobicContact CG2-CD1 3.72Å; I162-I186 HydrophobicContact CG2-CG1 3.62Å; I162-I186 PolarHBondContact O-N 3.02Å; L164-I186 HydrophobicContact CB-CD1 4.4Å; L164-I186 HydrophobicContact CB-CG2 3.79Å; L164-I186 HydrophobicContact CD2-CG2 4.5Å
187S93.8Very high78.1Confident17 Ų1762.5 Ų62.512%0.11937%0.371CS..EExtended strand (participates in β ladder)trans-127138.1178.8-162.80000110.5W104 F105 G189W104-S187 WeakPolarHBondContact CA-O 3.49Å; F105-S187 PolarHBondContact N-O 3.22Å; F105-S187 PolarHBondContact O-N 3.14Å; S187-G189 PolarHBondContact OG-O 3.08Å
188R94.3Very high80.7Confident1 Ų161.3 Ų61.30%0.00437%0.365CS..EExtended strand (participates in β ladder)trans-79.6122.8161.2-167.4174.2-176.4-125.710.2107.1F4 L5 D7 V10 V103 W104 E122 H125F4-R188 WeakPolarHBondContact CE2-O 3.38Å; F4-R188 PolarHBondContact O-NH1 3.03Å; L5-R188 HydrophobicContact CD1-CB 4.23Å; D7-R188 PolarHBondContact O-NH1 2.83Å; D7-R188 PolarHBondContact O-NH2 2.97Å; D7-R188 VanDerWaalsContact O-NH2 3.11Å; V10-R188 HydrophobicContact CG2-CG 4.13Å; V10-R188 VanDerWaalsContact CG2-NE 3.32Å; V103-R188 HydrophobicContact CG1-CG 4.37Å; W104-R188 HydrophobicContact CD2-CB 4.39Å; W104-R188 HydrophobicContact CE3-CB 4.18Å; W104-R188 HydrophobicContact CH2-CB 3.65Å; W104-R188 HydrophobicContact CH2-CG 4.17Å; W104-R188 HydrophobicContact CZ2-CB 3.86Å; W104-R188 HydrophobicContact CZ2-CG 3.86Å; W104-R188 HydrophobicContact CZ3-CB 3.82Å; E122-R188 IonicContact OE1-CZ 3.19Å; E122-R188 IonicContact OE1-NE 3.04Å; E122-R188 PolarHBondContact OE1-NE 3.45Å; E122-R188 IonicContact OE1-NH2 3.75Å; E122-R188 PolarHBondContact OE1-NH2 2.93Å; E122-R188 IonicContact OE2-NE 3.62Å; E122-R188 PolarHBondContact OE2-NE 3.33Å; H125-R188 VanDerWaalsContact CD2-CD 3.41Å; H125-R188 WeakPolarHBondContact CD2-CD 3.48Å; H125-R188 WeakPolarHBondContact NE2-CD 3.3Å
189G93.2Very high83.5Confident0 Ų057.6 Ų57.60%034%0.343CS..SBendtrans81157.1-173.500000114.3A14 V103 F105 S187A14-G189 CarbonylContact O-C 3.47Å; A14-G189 VanDerWaalsContact O-CA 3.22Å; A14-G189 WeakPolarHBondContact O-CA 3.38Å; V103-G189 PolarHBondContact O-N 2.78Å; F105-G189 WeakPolarHBondContact CD2-O 3.37Å; S187-G189 PolarHBondContact OG-O 3.08Å
190F94Very high85.9Confident35 Ų3556.5 Ų56.515%0.15433%0.327CS..  trans-75.1158.2-179.9-163.4-113.1000112.2A14 R16 P31 F105 W110 R192A14-F190 PolarHBondContact O-N 2.63Å; R16-F190 HydrophobicContact CB-CB 3.82Å; R16-F190 HydrophobicContact CB-CD1 4.41Å; R16-F190 HydrophobicContact CB-CD2 3.99Å; R16-F190 HydrophobicContact CB-CG 3.83Å; R16-F190 HydrophobicContact CG-CB 4.48Å; R16-F190 HydrophobicContact CG-CD1 4.15Å; R16-F190 HydrophobicContact CG-CD2 4.07Å; R16-F190 HydrophobicContact CG-CE1 4.4Å; R16-F190 HydrophobicContact CG-CE2 4.32Å; R16-F190 HydrophobicContact CG-CG 3.99Å; R16-F190 HydrophobicContact CG-CZ 4.48Å; P31-F190 HydrophobicContact CB-CZ 4.13Å; P31-F190 HydrophobicContact CG-CZ 4.08Å; F105-F190 AromaticContact CD1-CD2 3.81Å; F105-F190 HydrophobicContact CD1-CD2 3.81Å; F105-F190 HydrophobicContact CD1-CE2 4.3Å; F105-F190 HydrophobicContact CD2-CB 4.45Å; F105-F190 HydrophobicContact CD2-CD2 4.39Å; F105-F190 AromaticContact CE1-CD2 3.59Å; F105-F190 HydrophobicContact CE1-CD2 3.59Å; F105-F190 HydrophobicContact CE1-CE2 4.19Å; F105-F190 HydrophobicContact CE2-CB 3.98Å; F105-F190 HydrophobicContact CE2-CD2 4.21Å; F105-F190 HydrophobicContact CG-CD2 4.2Å; F105-F190 HydrophobicContact CZ-CB 4.15Å; F105-F190 AromaticContact CZ-CD2 3.82Å; F105-F190 HydrophobicContact CZ-CD2 3.82Å; F105-F190 HydrophobicContact CZ-CG 4.44Å; W110-F190 HydrophobicContact CB-CE2 3.86Å; W110-F190 HydrophobicContact CB-CZ 4.44Å; W110-F190 HydrophobicContact CE3-CD2 4.5Å; F190-R192 VanDerWaalsContact C-N 3.29Å; F190-R192 WeakPolarHBondContact CD1-O 3.05Å; F190-R192 PolarHBondContact O-N 3.25Å
191V92Very high88.4Confident72 Ų7254.6 Ų54.644%0.43630%0.302SS..SBendtrans-58.5-38.2-17560.20000114.1W110W110-V191 HydrophobicContact CD2-CB 3.61Å; W110-V191 HydrophobicContact CD2-CG1 4.06Å; W110-V191 HydrophobicContact CD2-CG2 4.41Å; W110-V191 VanDerWaalsContact CE2-CB 3.44Å; W110-V191 HydrophobicContact CE3-CB 3.82Å; W110-V191 HydrophobicContact CE3-CG1 4.45Å; W110-V191 HydrophobicContact CG-CB 4.24Å; W110-V191 HydrophobicContact CG-CG1 4.19Å; W110-V191 HydrophobicContact CH2-CB 3.69Å; W110-V191 HydrophobicContact CH2-CG2 4.1Å; W110-V191 HydrophobicContact CZ2-CB 3.51Å; W110-V191 HydrophobicContact CZ2-CG2 3.58Å; W110-V191 HydrophobicContact CZ3-CB 3.85Å
192R92Very high90.3Very high105 Ų10551.2 Ų51.240%0.39629%0.288SS..SBendtrans-113.9127.8176.6-71.2178.2-171.11588.4108.2R16 F190 S639 L640R16-R192 PolarHBondContact NH2-O 2.95Å; F190-R192 VanDerWaalsContact C-N 3.29Å; F190-R192 WeakPolarHBondContact CD1-O 3.05Å; F190-R192 PolarHBondContact O-N 3.25Å; R192-S639 PolarHBondContact NH1-OG 2.9Å; R192-L640 PolarHBondContact NH1-O 3.18Å; R192-L640 PolarHBondContact NH2-O 3.22Å
193P92.5Very high91.8Very high78 Ų7849.8 Ų49.851%0.50628%0.277SS..  trans-59.2150.8171.827-32.9000109.9E13 R16E13-P193 HydrophobicContact CB-CB 4.19Å; E13-P193 CarbonylContact O-C 3.55Å; E13-P193 WeakPolarHBondContact O-CA 3.5Å; R16-P193 VanDerWaalsContact NH2-C 3.35Å
194A95.2Very high92.3Very high3 Ų348.8 Ų48.83%0.02527%0.269CS..  trans-74.3133.4174.900000108.4E13 I38E13-A194 HydrophobicContact CB-CB 4.47Å; E13-A194 PolarHBondContact O-N 3.3Å; I38-A194 HydrophobicContact CD1-CB 3.79Å; I38-A194 HydrophobicContact CG1-CB 3.52Å
195E94.8Very high92.6Very high108 Ų10847.8 Ų47.851%0.50526%0.262SS..  trans-119.1140176.4-59.5179.4-172.700109.1G34 Y35 S197 D198G34-E195 CarbonylContact C-O 3.49Å; G34-E195 VanDerWaalsContact C-O 3.3Å; Y35-E195 PolarHBondContact N-O 3.04Å; Y35-E195 VanDerWaalsContact N-O 3.09Å; E195-S197 VanDerWaalsContact CB-OG 3.27Å; E195-S197 WeakPolarHBondContact CB-OG 3.33Å; E195-S197 PolarHBondContact O-N 3.34Å; E195-S197 PolarHBondContact OE2-OG 2.58Å; E195-D198 WeakPolarHBondContact O-CB 3.25Å; E195-D198 PolarHBondContact O-N 2.81Å
196T93Very high92.8Very high99 Ų9946.1 Ų46.161%0.60725%0.251SS*.THydrogen-bonded Turntrans-68.5-22.6174.450.30000112.1Y35 I38 D198Y35-T196 WeakPolarHBondContact CD2-O 3.3Å; I38-T196 HydrophobicContact CD1-CG2 3.69Å; T196-D198 VanDerWaalsContact C-N 3.29Å; T196-D198 PolarHBondContact O-N 3.39Å
197S92.1Very high92.9Very high86 Ų8646 Ų4660%0.60125%0.251SS*.THydrogen-bonded Turntrans-68.1-22.1173.155.70000113.5E195 R199E195-S197 VanDerWaalsContact CB-OG 3.27Å; E195-S197 WeakPolarHBondContact CB-OG 3.33Å; E195-S197 PolarHBondContact O-N 3.34Å; E195-S197 PolarHBondContact OE2-OG 2.58Å; S197-R199 PolarHBondContact O-N 3.17Å
198D91.3Very high93Very high80 Ų8045.5 Ų45.543%0.42825%0.246SC..  trans-7640.6176.3-166.723.3000111.6C33 G34 Y35 E195 T196C33-D198 WeakPolarHBondContact CB-OD2 3.27Å; C33-D198 PolarHBondContact SG-O 3.47Å; G34-D198 PolarHBondContact N-OD2 3.43Å; Y35-D198 VanDerWaalsContact CB-O 3.27Å; Y35-D198 WeakPolarHBondContact CB-O 3.15Å; E195-D198 WeakPolarHBondContact O-CB 3.25Å; E195-D198 PolarHBondContact O-N 2.81Å; T196-D198 VanDerWaalsContact C-N 3.29Å; T196-D198 PolarHBondContact O-N 3.39Å
199R90.3Very high93.1Very high113 Ų11345.5 Ų45.543%0.42625%0.246SC..PPolyproline II helixtrans-94.4126.3176.9-177.6179.7179.61633.1108.3Y35 S197Y35-R199 HydrophobicContact CD1-CB 4.09Å; Y35-R199 HydrophobicContact CD1-CG 3.82Å; Y35-R199 HydrophobicContact CD2-CB 3.81Å; Y35-R199 HydrophobicContact CD2-CG 4.06Å; Y35-R199 HydrophobicContact CE1-CG 3.84Å; Y35-R199 HydrophobicContact CE2-CB 4.3Å; Y35-R199 HydrophobicContact CE2-CG 4.1Å; Y35-R199 HydrophobicContact CG-CB 3.69Å; Y35-R199 HydrophobicContact CG-CG 3.92Å; Y35-R199 PolarHBondContact OH-NH1 3.42Å; S197-R199 PolarHBondContact O-N 3.17Å
200P88Confident93.2Very high30 Ų3045.5 Ų45.520%0.19525%0.246CC..PPolyproline II helixtrans-57.3143.6171.1-24.233.5000111.4
201P90Very high93Very high29 Ų2944.2 Ų44.219%0.18824%0.241CC..PPolyproline II helixtrans-58.4150.4175.522.7-31.6000111R248P201-R248 HydrophobicContact CG-CB 4.2Å; P201-R248 WeakPolarHBondContact O-CD 3.31Å; P201-R248 PolarHBondContact O-NH1 3.48Å
202P89.9Confident92.6Very high62 Ų6240.9 Ų40.940%0.40322%0.221SC..PPolyproline II helixtrans-56.7146175.3-2333.2000111.6T204 R248P202-T204 PolarHBondContact O-N 3.36Å; P202-R248 WeakPolarHBondContact O-CB 3.48Å
203I93.3Very high92Very high10 Ų1038.2 Ų38.25%0.05121%0.214CC..PPolyproline II helixtrans-67.7117.5176.4-57.7170.2000108.6H205 E250 F316 F323I203-H205 WeakPolarHBondContact CG2-O 3.39Å; I203-E250 HydrophobicContact CD1-CB 4.1Å; I203-E250 HydrophobicContact CD1-CG 3.68Å; I203-E250 HydrophobicContact CG1-CB 4.37Å; I203-E250 HydrophobicContact CG1-CG 3.77Å; I203-E250 HydrophobicContact CG2-CB 4.02Å; I203-E250 HydrophobicContact CG2-CG 4.26Å; I203-F316 HydrophobicContact CB-CZ 4.2Å; I203-F316 HydrophobicContact CD1-CE2 3.79Å; I203-F316 HydrophobicContact CD1-CZ 4.32Å; I203-F316 HydrophobicContact CG2-CE2 4.21Å; I203-F316 HydrophobicContact CG2-CZ 3.82Å; I203-F323 HydrophobicContact CG2-CE2 4.29Å; I203-F323 VanDerWaalsContact O-CD2 3.24Å; I203-F323 WeakPolarHBondContact O-CD2 3.46Å
204T93.2Very high90.6Very high26 Ų2634.9 Ų34.916%0.1619%0.194CC..  trans-99.7-24.1176.8620000112.2P202 G246 Q247 R248 G328 Q329P202-T204 PolarHBondContact O-N 3.36Å; T204-G246 WeakPolarHBondContact CG2-O 3.39Å; T204-Q247 VanDerWaalsContact CB-OE1 3.28Å; T204-Q247 PolarHBondContact OG1-OE1 3.29Å; T204-R248 PolarHBondContact N-O 3.47Å; T204-R248 PolarHBondContact OG1-N 2.87Å; T204-R248 VanDerWaalsContact OG1-N 3.09Å; T204-R248 PolarHBondContact OG1-O 3.01Å; T204-G328 VanDerWaalsContact O-CA 3.27Å; T204-G328 WeakPolarHBondContact O-CA 3.33Å; T204-Q329 PolarHBondContact O-N 2.91Å
205H95Very high89.4Confident13 Ų1336.1 Ų36.16%0.0620%0.199CC..EExtended strand (participates in β ladder)trans-136.7129.8-179.7-66.970.1000110.2I203 R248 L249 E250 Q329 I752 F753I203-H205 WeakPolarHBondContact CG2-O 3.39Å; H205-R248 PolarHBondContact N-O 3.04Å; H205-L249 HydrophobicContact CB-CD1 3.93Å; H205-L249 WeakPolarHBondContact O-CA 3.44Å; H205-E250 PolarHBondContact O-N 3.15Å; H205-Q329 WeakPolarHBondContact CA-O 3.27Å; H205-Q329 VanDerWaalsContact NE2-CD 3.32Å; H205-I752 HydrophobicContact CB-CG2 4.16Å; H205-I752 WeakPolarHBondContact CD2-CG2 3.32Å; H205-F753 AromaticContact CE1-CE1 3.91Å; H205-F753 AromaticContact ND1-CE1 3.53Å
206V95.8Very high87.7Confident0 Ų036.2 Ų36.20%020%0.199CC..EExtended strand (participates in β ladder)trans-115.5134.2174.767.90000110.2F208 E250 I252 F316 F323 Q329 I330 S331V206-F208 HydrophobicContact CG1-CE2 4.12Å; V206-F208 HydrophobicContact CG2-CE2 4.47Å; V206-F208 HydrophobicContact CG2-CZ 4.32Å; V206-E250 CarbonylContact C-O 3.5Å; V206-E250 WeakPolarHBondContact CA-O 3.29Å; V206-I252 HydrophobicContact CG2-CD1 3.67Å; V206-I252 HydrophobicContact CG2-CG1 4.02Å; V206-F316 HydrophobicContact CB-CE1 4.17Å; V206-F316 HydrophobicContact CB-CE2 4.44Å; V206-F316 HydrophobicContact CB-CZ 4.03Å; V206-F316 HydrophobicContact CG1-CD1 4.42Å; V206-F316 HydrophobicContact CG1-CE1 4.06Å; V206-F316 HydrophobicContact CG1-CZ 4.43Å; V206-F316 HydrophobicContact CG2-CD2 4.42Å; V206-F316 HydrophobicContact CG2-CE2 4.23Å; V206-F316 HydrophobicContact CG2-CZ 4.3Å; V206-F323 HydrophobicContact CB-CZ 4.34Å; V206-F323 HydrophobicContact CG1-CE1 4.24Å; V206-F323 HydrophobicContact CG1-CZ 3.8Å; V206-Q329 PolarHBondContact N-O 3.39Å; V206-I330 HydrophobicContact CG1-CB 4.31Å; V206-I330 HydrophobicContact CG1-CG1 3.88Å; V206-I330 HydrophobicContact CG1-CG2 4.22Å; V206-I330 WeakPolarHBondContact O-CA 3.33Å; V206-S331 PolarHBondContact O-N 2.98Å
207C96.8Very high85.7Confident0 Ų034.5 Ų34.50%019%0.186CC..EExtended strand (participates in β ladder)trans-120.8111.2179-172.50000110.8L249 E250 F251 I252 S331C207-L249 HydrophobicContact CB-CD1 4.03Å; C207-E250 PolarHBondContact N-O 3.32Å; C207-F251 HydrophobicContact CB-CD1 3.72Å; C207-F251 HydrophobicContact CB-CE1 3.87Å; C207-F251 HydrophobicContact CB-CG 4.45Å; C207-F251 CarbonylContact O-C 3.55Å; C207-F251 VanDerWaalsContact O-CA 3.27Å; C207-F251 WeakPolarHBondContact O-CA 3.49Å; C207-I252 PolarHBondContact O-N 2.96Å; C207-S331 CarbonylContact C-O 3.57Å; C207-S331 VanDerWaalsContact CA-O 3.3Å; C207-S331 WeakPolarHBondContact CA-O 3.28Å
208F96.5Very high84.2Confident6 Ų632.5 Ų32.53%0.02618%0.175CC..EExtended strand (participates in β ladder)trans-79.5123.3175.5-68.2-73.9000110.2V206 I252 V254 L309 L312 F313 I330 S331 V332 L333V206-F208 HydrophobicContact CG1-CE2 4.12Å; V206-F208 HydrophobicContact CG2-CE2 4.47Å; V206-F208 HydrophobicContact CG2-CZ 4.32Å; F208-I252 CarbonylContact C-O 3.45Å; F208-I252 WeakPolarHBondContact CA-O 3.28Å; F208-I252 HydrophobicContact CD1-CB 3.85Å; F208-I252 HydrophobicContact CD1-CG2 4.08Å; F208-I252 HydrophobicContact CE1-CB 3.95Å; F208-I252 HydrophobicContact CE1-CD1 3.94Å; F208-I252 HydrophobicContact CE1-CG1 4.47Å; F208-I252 HydrophobicContact CE1-CG2 4.04Å; F208-I252 HydrophobicContact CZ-CD1 4.46Å; F208-V254 HydrophobicContact CB-CG2 3.75Å; F208-V254 HydrophobicContact CD1-CG2 4.09Å; F208-V254 HydrophobicContact CG-CG2 4.36Å; F208-L309 HydrophobicContact CB-CD2 3.75Å; F208-L309 HydrophobicContact CD1-CD2 4.38Å; F208-L309 HydrophobicContact CD2-CD2 4.46Å; F208-L309 HydrophobicContact CG-CD2 3.95Å; F208-L312 HydrophobicContact CD1-CB 4.35Å; F208-L312 HydrophobicContact CE1-CB 3.74Å; F208-F313 HydrophobicContact CE2-CB 4.43Å; F208-F313 HydrophobicContact CE2-CD2 4.42Å; F208-F313 HydrophobicContact CZ-CB 4.07Å; F208-F313 HydrophobicContact CZ-CD2 4.44Å; F208-I330 HydrophobicContact CD2-CG2 3.88Å; F208-I330 HydrophobicContact CE2-CG2 3.74Å; F208-S331 PolarHBondContact N-O 2.94Å; F208-V332 HydrophobicContact CB-CG2 4.32Å; F208-V332 CarbonylContact O-C 3.57Å; F208-V332 WeakPolarHBondContact O-CA 3.32Å; F208-L333 PolarHBondContact O-N 3.02Å
209V96.2Very high83.5Confident0 Ų029.4 Ų29.40%016%0.16CC..EExtended strand (participates in β ladder)trans-98.7108.9-176.6-1700000109.6I220 C224 F251 I252 V254 L333 W739V209-I220 HydrophobicContact CB-CD1 4.31Å; V209-I220 HydrophobicContact CG1-CD1 3.7Å; V209-C224 HydrophobicContact CB-CB 4.25Å; V209-C224 HydrophobicContact CG1-CB 4.43Å; V209-C224 HydrophobicContact CG2-CB 4.26Å; V209-F251 HydrophobicContact CG2-CB 4.1Å; V209-F251 HydrophobicContact CG2-CD1 3.74Å; V209-F251 HydrophobicContact CG2-CG 4.4Å; V209-I252 PolarHBondContact N-O 2.95Å; V209-V254 WeakPolarHBondContact O-CB 3.34Å; V209-V254 PolarHBondContact O-N 3.16Å; V209-L333 WeakPolarHBondContact CA-O 3.35Å; V209-L333 HydrophobicContact CG1-CD2 4.4Å; V209-W739 HydrophobicContact CG1-CH2 3.71Å; V209-W739 HydrophobicContact CG1-CZ3 3.46Å; V209-W739 VanDerWaalsContact CG1-CZ3 3.46Å
210V94.7Very high83.3Confident0 Ų024.2 Ų24.20%014%0.14CC..EExtended strand (participates in β ladder)trans-98.6116.2-179.7-178.70000108.7V254 L305 L309 V332 L333 A334 H335V210-V254 HydrophobicContact CG2-CB 4.16Å; V210-V254 HydrophobicContact CG2-CG1 4.48Å; V210-V254 HydrophobicContact CG2-CG2 4.12Å; V210-L305 HydrophobicContact CG1-CD1 3.88Å; V210-L305 HydrophobicContact CG1-CD2 3.83Å; V210-L305 HydrophobicContact CG2-CD1 4.01Å; V210-L309 HydrophobicContact CG2-CD2 4.46Å; V210-V332 HydrophobicContact CG2-CG1 3.83Å; V210-L333 PolarHBondContact N-O 3.11Å; V210-A334 HydrophobicContact CB-CB 4.36Å; V210-H335 PolarHBondContact O-N 3.4Å
211H89.8Confident83Confident8 Ų825.2 Ų25.24%0.03714%0.14CC..  trans-74155.317666.581.1000111.9Q215 I220 V254 W256H211-Q215 PolarHBondContact CD2-OE1 2.98Å; H211-Q215 VanDerWaalsContact CD2-OE1 3.26Å; H211-Q215 WeakPolarHBondContact CE1-CB 3.3Å; H211-Q215 WeakPolarHBondContact NE2-CG 3.37Å; H211-I220 HydrophobicContact CB-CB 3.97Å; H211-I220 HydrophobicContact CB-CD1 3.61Å; H211-I220 HydrophobicContact CB-CG1 3.91Å; H211-V254 PolarHBondContact CD2-O 3.23Å; H211-W256 AromaticContact CD2-CD1 3.89Å; H211-W256 AromaticContact CD2-NE1 3.83Å; H211-W256 AromaticContact CE1-CD1 3.62Å; H211-W256 AromaticContact CE1-CD2 3.97Å; H211-W256 AromaticContact CE1-CE2 3.26Å; H211-W256 AromaticContact CE1-CZ2 3.62Å; H211-W256 AromaticContact CE1-NE1 3.04Å; H211-W256 PolarHBondContact CE1-NE1 2.69Å; H211-W256 AromaticContact CG-NE1 3.85Å; H211-W256 AromaticContact ND1-CE2 3.83Å; H211-W256 AromaticContact ND1-NE1 3.38Å; H211-W256 PolarHBondContact ND1-NE1 2.8Å; H211-W256 AromaticContact NE2-CD1 3.41Å; H211-W256 AromaticContact NE2-CE2 3.85Å; H211-W256 AromaticContact NE2-CG 3.98Å; H211-W256 AromaticContact NE2-NE1 3.36Å; H211-W256 PolarHBondContact NE2-NE1 3.26Å; H211-W256 PolarHBondContact O-NE1 3.48Å; H211-W256 VanDerWaalsContact O-NE1 3.11Å
212G84.1Confident82.7Confident2 Ų227.1 Ų27.12%0.02115%0.146CC..  trans-86.5-130.3167.700000112.6H335G212-H335 WeakPolarHBondContact CA-O 3.18Å; G212-H335 PolarHBondContact N-O 3.48Å; G212-H335 VanDerWaalsContact N-O 3.13Å
213I78.5Confident82.5Confident50 Ų5025.3 Ų25.326%0.25613%0.132SC..SBendtrans-79.4165.2-176.374.4177.8000111.5Q215 S285 F286 D288 I289 L337I213-Q215 PolarHBondContact O-N 2.88Å; I213-S285 VanDerWaalsContact CB-O 3.24Å; I213-S285 WeakPolarHBondContact CB-O 3.15Å; I213-S285 WeakPolarHBondContact CG1-O 3.35Å; I213-F286 HydrophobicContact CD1-CD1 4.41Å; I213-D288 HydrophobicContact CB-CB 4.23Å; I213-D288 HydrophobicContact CG2-CB 4.19Å; I213-I289 HydrophobicContact CD1-CD1 4.14Å; I213-I289 HydrophobicContact CG2-CD1 3.99Å; I213-I289 HydrophobicContact CG2-CG1 3.61Å; I213-L337 HydrophobicContact CG2-CB 3.53Å; I213-L337 HydrophobicContact CG2-CD2 3.8Å; I213-L337 HydrophobicContact CG2-CG 4.29Å
214G64.7Low82.5Confident8 Ų824.8 Ų24.88%0.08213%0.13CC..  trans7919.4167.400000115.2Q216 L217 A218 Q284 S285 D288G214-Q216 PolarHBondContact O-N 3.15Å; G214-L217 PolarHBondContact O-N 3.14Å; G214-A218 PolarHBondContact O-N 3.47Å; G214-Q284 WeakPolarHBondContact CA-O 3.24Å; G214-S285 PolarHBondContact N-O 2.83Å; G214-D288 PolarHBondContact N-OD2 2.81Å
215Q69.4Low82.3Confident29 Ų2924 Ų2414%0.13613%0.126CC..THydrogen-bonded Turntrans-59.6-15.3178.4-178.25151.800113.6H211 I213 A218 I220 R257H211-Q215 PolarHBondContact CD2-OE1 2.98Å; H211-Q215 VanDerWaalsContact CD2-OE1 3.26Å; H211-Q215 WeakPolarHBondContact CE1-CB 3.3Å; H211-Q215 WeakPolarHBondContact NE2-CG 3.37Å; I213-Q215 PolarHBondContact O-N 2.88Å; Q215-A218 CarbonylContact C-O 3.56Å; Q215-A218 WeakPolarHBondContact CA-O 3.36Å; Q215-A218 VanDerWaalsContact CD-O 3.26Å; Q215-A218 PolarHBondContact NE2-O 3.47Å; Q215-A218 PolarHBondContact OE1-O 2.9Å; Q215-I220 VanDerWaalsContact NE2-N 3.15Å; Q215-R257 HydrophobicContact CB-CB 4.46Å; Q215-R257 HydrophobicContact CG-CB 4.38Å
216Q59.6Low82Confident109 Ų10926.7 Ų26.751%0.50914%0.138SC..THydrogen-bonded Turntrans-77.4-27.8172.5-67.4-178.9-1900112.8G214 Q284G214-Q216 PolarHBondContact O-N 3.15Å; Q216-Q284 HydrophobicContact CB-CB 4.11Å; Q216-Q284 HydrophobicContact CB-CG 4.25Å
217L51.4Low81.9Confident64 Ų6426.8 Ų26.834%0.33514%0.138SC..THydrogen-bonded Turntrans-91.2-34.1177.4-69.6168.8000112.6G214 Y281 Q284 S285G214-L217 PolarHBondContact O-N 3.14Å; L217-Y281 HydrophobicContact CD1-CD2 3.84Å; L217-Y281 HydrophobicContact CD1-CE2 3.64Å; L217-Y281 HydrophobicContact CD2-CD2 4.15Å; L217-Y281 HydrophobicContact CD2-CE2 4.43Å; L217-Q284 HydrophobicContact CD1-CB 4.14Å; L217-Q284 HydrophobicContact CD2-CB 4.17Å; L217-Q284 HydrophobicContact CG-CB 3.82Å; L217-S285 WeakPolarHBondContact CD1-OG 3.16Å
218A59.6Low81.7Confident44 Ų4427.5 Ų27.536%0.36414%0.141SC..SBendtrans-126.2135-178.300000111.4G214 Q215 I220G214-A218 PolarHBondContact O-N 3.47Å; Q215-A218 CarbonylContact C-O 3.56Å; Q215-A218 WeakPolarHBondContact CA-O 3.36Å; Q215-A218 VanDerWaalsContact CD-O 3.26Å; Q215-A218 PolarHBondContact NE2-O 3.47Å; Q215-A218 PolarHBondContact OE1-O 2.9Å; A218-I220 PolarHBondContact O-N 3.45Å
219S77.5Confident81.5Confident15 Ų1531.8 Ų31.811%0.10516%0.159CC..  trans-78.2118.2175.4-176.40000109.6R221 H222 E223S219-R221 PolarHBondContact O-N 2.92Å; S219-R221 PolarHBondContact OG-NE 2.94Å; S219-H222 WeakPolarHBondContact O-CB 3.44Å; S219-H222 PolarHBondContact O-N 2.74Å; S219-E223 PolarHBondContact O-N 2.76Å
220I84.3Confident81.3Confident3 Ų332.3 Ų32.32%0.01516%0.163CC..Hα-helixtrans-53.3-27.5172.6179.650.9000111.9V209 H211 Q215 A218 H222 E223 C224 P253 N255V209-I220 HydrophobicContact CB-CD1 4.31Å; V209-I220 HydrophobicContact CG1-CD1 3.7Å; H211-I220 HydrophobicContact CB-CB 3.97Å; H211-I220 HydrophobicContact CB-CD1 3.61Å; H211-I220 HydrophobicContact CB-CG1 3.91Å; Q215-I220 VanDerWaalsContact NE2-N 3.15Å; A218-I220 PolarHBondContact O-N 3.45Å; I220-H222 VanDerWaalsContact C-N 3.33Å; I220-H222 PolarHBondContact O-N 2.8Å; I220-E223 PolarHBondContact O-N 3.46Å; I220-C224 WeakPolarHBondContact O-CB 3.43Å; I220-C224 PolarHBondContact O-N 2.87Å; I220-P253 HydrophobicContact CG1-CB 3.93Å; I220-P253 HydrophobicContact CG2-CB 4.2Å; I220-N255 HydrophobicContact CG2-CB 4.16Å
221R83.4Confident81.3Confident51 Ų5132.5 Ų32.519%0.19216%0.164CC..Hα-helixtrans-61.8-41.2173.9-66.2175.6-74.2-140.6-6.5112.4W80 F81 S219 A225 P253W80-R221 HydrophobicContact CB-CG 4.39Å; W80-R221 VanDerWaalsContact CD1-CD 3.41Å; W80-R221 HydrophobicContact CG-CG 4.17Å; F81-R221 PolarHBondContact O-NH1 3Å; S219-R221 PolarHBondContact O-N 2.92Å; S219-R221 PolarHBondContact OG-NE 2.94Å; R221-A225 WeakPolarHBondContact O-CB 3.31Å; R221-A225 PolarHBondContact O-N 3.31Å; R221-P253 HydrophobicContact CG-CB 4.24Å; R221-P253 HydrophobicContact CG-CG 3.93Å
222H83.1Confident81.3Confident69 Ų6934.5 Ų34.532%0.31917%0.173SC..Hα-helixtrans-68.4-44.3179179-108.5000111.1S219 I220 A225 K226S219-H222 WeakPolarHBondContact O-CB 3.44Å; S219-H222 PolarHBondContact O-N 2.74Å; I220-H222 VanDerWaalsContact C-N 3.33Å; I220-H222 PolarHBondContact O-N 2.8Å; H222-A225 PolarHBondContact O-N 3.38Å; H222-K226 WeakPolarHBondContact CE1-CE 3.41Å; H222-K226 PolarHBondContact CE1-NZ 3.2Å; H222-K226 WeakPolarHBondContact ND1-CE 3.14Å; H222-K226 PolarHBondContact ND1-NZ 2.9Å; H222-K226 WeakPolarHBondContact O-CG 3.39Å; H222-K226 PolarHBondContact O-N 3.5Å
223E86.7Confident81.7Confident24 Ų2439.1 Ų39.111%0.11219%0.193CC..Hα-helixtrans-66.7-41176.9-57.1-45.5120.500112S219 I220 A225 K226 I227 W739S219-E223 PolarHBondContact O-N 2.76Å; I220-E223 PolarHBondContact O-N 3.46Å; E223-A225 VanDerWaalsContact C-N 3.32Å; E223-A225 PolarHBondContact O-N 2.94Å; E223-K226 WeakPolarHBondContact O-CB 3.46Å; E223-K226 PolarHBondContact O-N 3.02Å; E223-K226 IonicContact OE1-NZ 3.61Å; E223-K226 PolarHBondContact OE1-NZ 3.18Å; E223-K226 WeakPolarHBondContact OE2-CD 3.34Å; E223-K226 IonicContact OE2-NZ 3.42Å; E223-K226 PolarHBondContact OE2-NZ 3.46Å; E223-I227 PolarHBondContact O-N 3.08Å; E223-W739 HydrophobicContact CB-CD2 3.87Å; E223-W739 HydrophobicContact CB-CE3 4.43Å; E223-W739 HydrophobicContact CB-CG 3.96Å; E223-W739 HydrophobicContact CB-CZ2 4.36Å; E223-W739 HydrophobicContact CG-CG 4.46Å
224C92.1Very high82.2Confident0 Ų036.8 Ų36.80%018%0.181CC..Hα-helixtrans-60.1-40.4171.5177.30000111.9V209 I220 I227 R228 P253V209-C224 HydrophobicContact CB-CB 4.25Å; V209-C224 HydrophobicContact CG1-CB 4.43Å; V209-C224 HydrophobicContact CG2-CB 4.26Å; I220-C224 WeakPolarHBondContact O-CB 3.43Å; I220-C224 PolarHBondContact O-N 2.87Å; C224-I227 WeakPolarHBondContact O-CG2 3.28Å; C224-I227 PolarHBondContact O-N 3.31Å; C224-R228 WeakPolarHBondContact O-CB 3.18Å; C224-R228 PolarHBondContact O-N 3Å; C224-R228 PolarHBondContact SG-NH2 2.72Å; C224-P253 HydrophobicContact CB-CB 3.83Å; C224-P253 HydrophobicContact CB-CG 4.47Å
225A88.5Confident83.4Confident9 Ų937 Ų377%0.07418%0.182CC..Hα-helixtrans-72.8-32.117800000113R221 H222 E223 K229 S633R221-A225 WeakPolarHBondContact O-CB 3.31Å; R221-A225 PolarHBondContact O-N 3.31Å; H222-A225 PolarHBondContact O-N 3.38Å; E223-A225 VanDerWaalsContact C-N 3.32Å; E223-A225 PolarHBondContact O-N 2.94Å; A225-K229 VanDerWaalsContact O-CB 3.31Å; A225-K229 WeakPolarHBondContact O-CB 3.17Å; A225-K229 PolarHBondContact O-N 2.95Å; A225-S633 WeakPolarHBondContact CB-OG 3.36Å
226K89.6Confident84.3Confident70 Ų7039.7 Ų39.730%0.30420%0.195SC..Hα-helixtrans-61.6-49.6170-76.6176.5-177.4156.50111.6H222 E223 K229 T230 W739H222-K226 WeakPolarHBondContact CE1-CE 3.41Å; H222-K226 PolarHBondContact CE1-NZ 3.2Å; H222-K226 WeakPolarHBondContact ND1-CE 3.14Å; H222-K226 PolarHBondContact ND1-NZ 2.9Å; H222-K226 WeakPolarHBondContact O-CG 3.39Å; H222-K226 PolarHBondContact O-N 3.5Å; E223-K226 WeakPolarHBondContact O-CB 3.46Å; E223-K226 PolarHBondContact O-N 3.02Å; E223-K226 IonicContact OE1-NZ 3.61Å; E223-K226 PolarHBondContact OE1-NZ 3.18Å; E223-K226 WeakPolarHBondContact OE2-CD 3.34Å; E223-K226 IonicContact OE2-NZ 3.42Å; E223-K226 PolarHBondContact OE2-NZ 3.46Å; K226-K229 PolarHBondContact O-N 2.83Å; K226-T230 WeakPolarHBondContact O-CB 3.21Å; K226-T230 PolarHBondContact O-N 2.88Å; K226-T230 PolarHBondContact O-OG1 3.01Å; K226-W739 CarbonylContact C-O 3.54Å; K226-W739 VanDerWaalsContact C-O 3.29Å; K226-W739 HydrophobicContact CB-CB 4.18Å; K226-W739 HydrophobicContact CD-CB 4.3Å
227I92.9Very high85.7Confident1 Ų137.6 Ų37.61%0.00518%0.184CC..Hα-helixtrans-67.7-40.6-178.7-169.863.5000111.1E223 C224 K229 T230 C231 F251 L333 W739E223-I227 PolarHBondContact O-N 3.08Å; C224-I227 WeakPolarHBondContact O-CG2 3.28Å; C224-I227 PolarHBondContact O-N 3.31Å; I227-K229 PolarHBondContact O-N 3.05Å; I227-T230 PolarHBondContact O-N 3.36Å; I227-T230 VanDerWaalsContact O-N 3.15Å; I227-C231 WeakPolarHBondContact O-CB 3.46Å; I227-C231 PolarHBondContact O-N 2.82Å; I227-F251 HydrophobicContact CG1-CE1 4.34Å; I227-F251 HydrophobicContact CG1-CZ 4.48Å; I227-F251 HydrophobicContact CG2-CD1 4.18Å; I227-F251 HydrophobicContact CG2-CE1 4.32Å; I227-L333 HydrophobicContact CG1-CD2 4.14Å; I227-L333 HydrophobicContact CG2-CD2 4.43Å; I227-W739 WeakPolarHBondContact CA-O 3.26Å; I227-W739 HydrophobicContact CB-CE3 4.24Å; I227-W739 HydrophobicContact CG2-CE3 4.25Å; I227-W739 PolarHBondContact N-O 2.84Å; I227-W739 VanDerWaalsContact N-O 3.16Å
228R94.2Very high87.3Confident15 Ų1535 Ų356%0.05717%0.17CC..Hα-helixtrans-53.8-52.2172.3-174.9-173.8-60.597.95.5111.4C224 T230 C231 Q232 E250 F251C224-R228 WeakPolarHBondContact O-CB 3.18Å; C224-R228 PolarHBondContact O-N 3Å; C224-R228 PolarHBondContact SG-NH2 2.72Å; R228-T230 VanDerWaalsContact C-N 3.29Å; R228-T230 PolarHBondContact O-N 2.7Å; R228-C231 PolarHBondContact O-N 3.27Å; R228-Q232 WeakPolarHBondContact O-CB 3.07Å; R228-Q232 PolarHBondContact O-N 3.34Å; R228-E250 IonicContact NE-OE2 3.65Å; R228-E250 PolarHBondContact NE-OE2 2.89Å; R228-F251 HydrophobicContact CB-CB 4.48Å; R228-F251 HydrophobicContact CB-CD2 3.89Å; R228-F251 HydrophobicContact CB-CG 4.44Å; R228-F251 HydrophobicContact CG-CD2 4.06Å; R228-F251 PolarHBondContact NH2-O 3.09Å
229K91.8Very high88.6Confident96 Ų9633.2 Ų33.242%0.41715%0.154SC..Hα-helixtrans-62.4-36.7179.4-175.4179.1-178.1-179.50112.3A225 K226 I227 K233A225-K229 VanDerWaalsContact O-CB 3.31Å; A225-K229 WeakPolarHBondContact O-CB 3.17Å; A225-K229 PolarHBondContact O-N 2.95Å; K226-K229 PolarHBondContact O-N 2.83Å; I227-K229 PolarHBondContact O-N 3.05Å; K229-K233 WeakPolarHBondContact O-CG 3.39Å; K229-K233 PolarHBondContact O-N 3.19Å; K229-K233 VanDerWaalsContact O-N 3.11Å
230T91.8Very high89Confident12 Ų1236.8 Ų36.87%0.07418%0.177CC..Hα-helixtrans-69.9-48178.9-54.40000110.6K226 I227 R228 Q232 K233 V234 W739 S741 A745K226-T230 WeakPolarHBondContact O-CB 3.21Å; K226-T230 PolarHBondContact O-N 2.88Å; K226-T230 PolarHBondContact O-OG1 3.01Å; I227-T230 PolarHBondContact O-N 3.36Å; I227-T230 VanDerWaalsContact O-N 3.15Å; R228-T230 VanDerWaalsContact C-N 3.29Å; R228-T230 PolarHBondContact O-N 2.7Å; T230-Q232 VanDerWaalsContact C-N 3.33Å; T230-Q232 PolarHBondContact O-N 3.1Å; T230-K233 PolarHBondContact O-N 3.48Å; T230-V234 WeakPolarHBondContact O-CG2 3.18Å; T230-V234 PolarHBondContact O-N 3.32Å; T230-W739 PolarHBondContact OG1-O 3.28Å; T230-S741 WeakPolarHBondContact CG2-O 3.44Å; T230-A745 HydrophobicContact CG2-CB 3.84Å
231C93.7Very high89Confident4 Ų440.3 Ų40.33%0.02719%0.192CC..Hα-helixtrans-58-43.5173.5-73.70000111.9I227 R228 K233 V234 A235 F251I227-C231 WeakPolarHBondContact O-CB 3.46Å; I227-C231 PolarHBondContact O-N 2.82Å; R228-C231 PolarHBondContact O-N 3.27Å; C231-K233 PolarHBondContact O-N 3.31Å; C231-V234 PolarHBondContact O-N 3Å; C231-A235 VanDerWaalsContact O-CB 3.31Å; C231-A235 WeakPolarHBondContact O-CB 3.38Å; C231-A235 PolarHBondContact O-N 3.47Å; C231-F251 HydrophobicContact CB-CE2 3.96Å; C231-F251 HydrophobicContact CB-CZ 4.17Å
232Q91.3Very high89.2Confident50 Ų5038.5 Ų38.523%0.23419%0.186CC..Hα-helixtrans-61.6-46.7177.5177.3165.2-11.200112.5R228 T230 V234 A235 E236 S635R228-Q232 WeakPolarHBondContact O-CB 3.07Å; R228-Q232 PolarHBondContact O-N 3.34Å; T230-Q232 VanDerWaalsContact C-N 3.33Å; T230-Q232 PolarHBondContact O-N 3.1Å; Q232-V234 VanDerWaalsContact C-N 3.26Å; Q232-V234 PolarHBondContact O-N 2.89Å; Q232-A235 PolarHBondContact O-N 2.8Å; Q232-A235 VanDerWaalsContact O-N 3.16Å; Q232-E236 HydrophobicContact CG-CG 4.19Å; Q232-E236 WeakPolarHBondContact CG-OE1 3.28Å; Q232-E236 PolarHBondContact NE2-OE1 3.36Å; Q232-E236 WeakPolarHBondContact O-CB 3.48Å; Q232-E236 WeakPolarHBondContact O-CG 3.29Å; Q232-E236 PolarHBondContact O-N 2.69Å; Q232-S635 PolarHBondContact OE1-O 3.23Å; Q232-S635 PolarHBondContact OE1-OG 2.97Å
233K90.8Very high89.3Confident98 Ų9838.9 Ų38.943%0.42620%0.197SC..Hα-helixtrans-59.3-38.6176.3-75.6175.7173.5-170.50112.9K229 T230 C231 K237K229-K233 WeakPolarHBondContact O-CG 3.39Å; K229-K233 PolarHBondContact O-N 3.19Å; K229-K233 VanDerWaalsContact O-N 3.11Å; T230-K233 PolarHBondContact O-N 3.48Å; C231-K233 PolarHBondContact O-N 3.31Å; K233-K237 PolarHBondContact O-N 3.31Å
234V89.8Confident89.2Confident1 Ų145 Ų451%0.00623%0.225CC..Hα-helixtrans-70.1-41.7177.1175.30000110.4T230 C231 Q232 K237 L238 I570 H742 A745 F746 L749T230-V234 WeakPolarHBondContact O-CG2 3.18Å; T230-V234 PolarHBondContact O-N 3.32Å; C231-V234 PolarHBondContact O-N 3Å; Q232-V234 VanDerWaalsContact C-N 3.26Å; Q232-V234 PolarHBondContact O-N 2.89Å; V234-K237 PolarHBondContact O-N 2.8Å; V234-L238 HydrophobicContact CG1-CD1 3.85Å; V234-L238 HydrophobicContact CG1-CG 4.45Å; V234-L238 WeakPolarHBondContact O-CB 3.15Å; V234-L238 PolarHBondContact O-N 2.85Å; V234-I570 HydrophobicContact CG2-CD1 4.41Å; V234-H742 HydrophobicContact CG2-CB 4.01Å; V234-A745 HydrophobicContact CG2-CB 4.09Å; V234-F746 HydrophobicContact CG1-CB 3.84Å; V234-F746 HydrophobicContact CG1-CD2 4.15Å; V234-F746 HydrophobicContact CG1-CG 4.5Å; V234-L749 HydrophobicContact CB-CD1 4.04Å; V234-L749 HydrophobicContact CG1-CD1 3.8Å
235A90.5Very high89Confident14 Ų1449.7 Ų49.712%0.11625%0.246CC..Hα-helixtrans-65-46.6177.800000112.1C231 Q232 K237 L238 Y239 L242 L749C231-A235 VanDerWaalsContact O-CB 3.31Å; C231-A235 WeakPolarHBondContact O-CB 3.38Å; C231-A235 PolarHBondContact O-N 3.47Å; Q232-A235 PolarHBondContact O-N 2.8Å; Q232-A235 VanDerWaalsContact O-N 3.16Å; A235-K237 PolarHBondContact O-N 3.47Å; A235-K237 VanDerWaalsContact O-N 3.15Å; A235-L238 PolarHBondContact O-N 3.2Å; A235-Y239 CarbonylContact O-C 3.6Å; A235-Y239 WeakPolarHBondContact O-CA 3.09Å; A235-Y239 WeakPolarHBondContact O-CB 3.45Å; A235-Y239 PolarHBondContact O-N 3.25Å; A235-L242 HydrophobicContact CB-CD2 4.27Å; A235-L749 HydrophobicContact CB-CD1 4.02Å
236E88.3Confident88.9Confident85 Ų8550.6 Ų50.640%0.39726%0.256SS..Hα-helixtrans-56-34.3177.1-75.1167.7-179.400112.4Q232 L638Q232-E236 HydrophobicContact CG-CG 4.19Å; Q232-E236 WeakPolarHBondContact CG-OE1 3.28Å; Q232-E236 PolarHBondContact NE2-OE1 3.36Å; Q232-E236 WeakPolarHBondContact O-CB 3.48Å; Q232-E236 WeakPolarHBondContact O-CG 3.29Å; Q232-E236 PolarHBondContact O-N 2.69Å; E236-L638 WeakPolarHBondContact OE2-CD1 3.44Å
237K87.6Confident88.9Confident65 Ų6549.9 Ų49.928%0.28325%0.254SS..Hα-helixtrans-91.5-39.8-176.6179.9155.4164.9131.40114.1K233 V234 A235 I570 N571 E574K233-K237 PolarHBondContact O-N 3.31Å; V234-K237 PolarHBondContact O-N 2.8Å; A235-K237 PolarHBondContact O-N 3.47Å; A235-K237 VanDerWaalsContact O-N 3.15Å; K237-I570 HydrophobicContact CB-CG2 3.88Å; K237-I570 HydrophobicContact CD-CB 3.88Å; K237-I570 HydrophobicContact CD-CG2 3.31Å; K237-I570 VanDerWaalsContact CE-C 3.43Å; K237-I570 VanDerWaalsContact CE-CG2 3.49Å; K237-I570 VanDerWaalsContact CE-O 3.32Å; K237-I570 WeakPolarHBondContact CE-O 2.94Å; K237-I570 HydrophobicContact CG-CG2 3.53Å; K237-N571 PolarHBondContact NZ-OD1 2.84Å; K237-E574 WeakPolarHBondContact CE-OE2 3.28Å; K237-E574 IonicContact NZ-OE2 2.68Å; K237-E574 PolarHBondContact NZ-OE2 3.48Å
238L85.6Confident88.9Confident9 Ų951.3 Ų51.35%0.04726%0.259CS..Hα-helixtrans-105.1-20.2-173.4-57.6-178.8000113.3V234 A235 I570 L573 E574 L577 F746 P756V234-L238 HydrophobicContact CG1-CD1 3.85Å; V234-L238 HydrophobicContact CG1-CG 4.45Å; V234-L238 WeakPolarHBondContact O-CB 3.15Å; V234-L238 PolarHBondContact O-N 2.85Å; A235-L238 PolarHBondContact O-N 3.2Å; L238-I570 HydrophobicContact CD1-CG2 4.08Å; L238-I570 HydrophobicContact CD2-CG2 4.01Å; L238-I570 HydrophobicContact CG-CG2 3.87Å; L238-L573 HydrophobicContact CD1-CB 3.72Å; L238-L573 HydrophobicContact CD1-CD1 3.55Å; L238-L573 HydrophobicContact CD1-CG 4.23Å; L238-L573 HydrophobicContact CD2-CB 3.88Å; L238-L573 HydrophobicContact CG-CB 4.49Å; L238-E574 HydrophobicContact CD2-CB 4.04Å; L238-L577 HydrophobicContact CD2-CD1 4.06Å; L238-F746 HydrophobicContact CD1-CD2 3.41Å; L238-F746 VanDerWaalsContact CD1-CD2 3.41Å; L238-F746 HydrophobicContact CD1-CE2 3.71Å; L238-F746 HydrophobicContact CD1-CG 4.2Å; L238-P756 VanDerWaalsContact O-CB 3.3Å; L238-P756 WeakPolarHBondContact O-CB 3.26Å
239Y87.6Confident88.9Confident7 Ų751.5 Ų51.53%0.02726%0.261CS..  trans-126.253.9179.8-67.6-97.1000111.1A235 K241 L242 F746 L749 Y750 F753 G754 P756 L759A235-Y239 CarbonylContact O-C 3.6Å; A235-Y239 WeakPolarHBondContact O-CA 3.09Å; A235-Y239 WeakPolarHBondContact O-CB 3.45Å; A235-Y239 PolarHBondContact O-N 3.25Å; Y239-K241 PolarHBondContact O-N 3.05Å; Y239-K241 VanDerWaalsContact O-N 3.15Å; Y239-L242 WeakPolarHBondContact O-CB 3.41Å; Y239-L242 PolarHBondContact O-N 3.04Å; Y239-F746 HydrophobicContact CE2-CD2 4.17Å; Y239-F746 HydrophobicContact CE2-CE2 4.06Å; Y239-L749 HydrophobicContact CD2-CB 4.48Å; Y239-L749 HydrophobicContact CD2-CD1 4.39Å; Y239-L749 HydrophobicContact CE2-CB 3.89Å; Y239-L749 HydrophobicContact CE2-CD1 4.45Å; Y239-Y750 VanDerWaalsContact OH-CA 3.27Å; Y239-Y750 WeakPolarHBondContact OH-CA 3.38Å; Y239-Y750 PolarHBondContact OH-N 2.92Å; Y239-F753 HydrophobicContact CE1-CB 4.3Å; Y239-G754 WeakPolarHBondContact CE1-O 3.46Å; Y239-G754 PolarHBondContact OH-O 2.85Å; Y239-P756 HydrophobicContact CD1-CB 4.32Å; Y239-P756 HydrophobicContact CD1-CG 4.36Å; Y239-P756 HydrophobicContact CD2-CG 4.39Å; Y239-P756 HydrophobicContact CE1-CB 4.16Å; Y239-P756 HydrophobicContact CE1-CG 3.87Å; Y239-P756 HydrophobicContact CE2-CG 3.88Å; Y239-P756 WeakPolarHBondContact OH-CD 3.22Å; Y239-L759 HydrophobicContact CD1-CD1 3.6Å; Y239-L759 HydrophobicContact CE1-CD1 3.99Å
240P85.2Confident89.1Confident90 Ų9047.7 Ų47.758%0.58425%0.245SC*.THydrogen-bonded Turntrans-59.4-31.7-172.924.4-34.9000113.4L242P240-L242 VanDerWaalsContact C-N 3.34Å; P240-L242 PolarHBondContact O-N 2.96Å
241K85.4Confident89.3Confident77 Ų7747.3 Ų47.334%0.33524%0.242SC..THydrogen-bonded Turntrans-81.8-3.7178.5-57.1-167.6-179.6-168.70114.5Y239 S243 E244 F245 R760Y239-K241 PolarHBondContact O-N 3.05Å; Y239-K241 VanDerWaalsContact O-N 3.15Å; K241-S243 VanDerWaalsContact C-N 3.28Å; K241-S243 PolarHBondContact O-N 3.41Å; K241-E244 WeakPolarHBondContact O-CA 3.36Å; K241-E244 WeakPolarHBondContact O-CB 3.43Å; K241-E244 PolarHBondContact O-N 3.28Å; K241-F245 HydrophobicContact CB-CD2 3.83Å; K241-F245 HydrophobicContact CB-CE2 3.77Å; K241-F245 HydrophobicContact CD-CE2 3.91Å; K241-F245 VanDerWaalsContact O-CD2 3.28Å; K241-F245 WeakPolarHBondContact O-CD2 3.18Å; K241-F245 PolarHBondContact O-N 2.93Å; K241-R760 PolarHBondContact NZ-OXT 3.2Å
242L87.2Confident89.3Confident13 Ų1347.1 Ų47.17%0.06824%0.241CC..THydrogen-bonded Turntrans-53.9-45.7-173.3-169.970.4000112.3A235 Y239 P240 F245 Q247 F753 L759A235-L242 HydrophobicContact CB-CD2 4.27Å; Y239-L242 WeakPolarHBondContact O-CB 3.41Å; Y239-L242 PolarHBondContact O-N 3.04Å; P240-L242 VanDerWaalsContact C-N 3.34Å; P240-L242 PolarHBondContact O-N 2.96Å; L242-F245 PolarHBondContact O-N 3.2Å; L242-Q247 HydrophobicContact CD1-CB 3.63Å; L242-Q247 HydrophobicContact CD1-CG 4.43Å; L242-Q247 HydrophobicContact CG-CB 3.94Å; L242-Q247 PolarHBondContact O-N 2.77Å; L242-F753 HydrophobicContact CD1-CB 4.28Å; L242-F753 HydrophobicContact CD1-CD1 3.92Å; L242-F753 HydrophobicContact CD1-CD2 3.83Å; L242-F753 HydrophobicContact CD1-CE1 4.16Å; L242-F753 HydrophobicContact CD1-CE2 4.07Å; L242-F753 HydrophobicContact CD1-CG 3.75Å; L242-F753 HydrophobicContact CD1-CZ 4.22Å; L242-F753 HydrophobicContact CD2-CD2 4.24Å; L242-F753 HydrophobicContact CD2-CE2 3.88Å; L242-F753 HydrophobicContact CD2-CZ 4.29Å; L242-L759 HydrophobicContact CD1-CD1 3.81Å
243S84.9Confident89.5Confident77 Ų7745 Ų4554%0.53823%0.232SC..THydrogen-bonded Turntrans-68-35177.9-56.80000112.6K241 F245 G246K241-S243 VanDerWaalsContact C-N 3.28Å; K241-S243 PolarHBondContact O-N 3.41Å; S243-F245 VanDerWaalsContact C-N 3.33Å; S243-G246 WeakPolarHBondContact O-CA 3.41Å; S243-G246 PolarHBondContact O-N 2.83Å
244E85.2Confident89.5Confident153 Ų15340.3 Ų40.372%0.71521%0.211SC*.THydrogen-bonded Turntrans-65.4-36.5177.3-61.2175.6178.500111.5K241 G246K241-E244 WeakPolarHBondContact O-CA 3.36Å; K241-E244 WeakPolarHBondContact O-CB 3.43Å; K241-E244 PolarHBondContact O-N 3.28Å; E244-G246 PolarHBondContact O-N 3.3Å
245F86.3Confident89.5Confident97 Ų9742 Ų4243%0.42522%0.22SC..THydrogen-bonded Turntrans-76.87.6171.9-75.4-79.1000113.7K241 L242 S243 Q247 L759K241-F245 HydrophobicContact CB-CD2 3.83Å; K241-F245 HydrophobicContact CB-CE2 3.77Å; K241-F245 HydrophobicContact CD-CE2 3.91Å; K241-F245 VanDerWaalsContact O-CD2 3.28Å; K241-F245 WeakPolarHBondContact O-CD2 3.18Å; K241-F245 PolarHBondContact O-N 2.93Å; L242-F245 PolarHBondContact O-N 3.2Å; S243-F245 VanDerWaalsContact C-N 3.33Å; F245-Q247 HydrophobicContact CB-CG 4.37Å; F245-Q247 PolarHBondContact O-N 2.82Å; F245-L759 HydrophobicContact CD2-CB 4.15Å; F245-L759 VanDerWaalsContact CE2-C 3.44Å; F245-L759 HydrophobicContact CE2-CB 4.27Å; F245-L759 WeakPolarHBondContact CE2-O 3.33Å; F245-L759 HydrophobicContact CG-CD2 4.46Å
246G87.4Confident89.4Confident28 Ų2841.4 Ų41.429%0.28922%0.215SC..THydrogen-bonded Turntrans65.822.1179.300000113.9T204 S243 E244T204-G246 WeakPolarHBondContact CG2-O 3.39Å; S243-G246 WeakPolarHBondContact O-CA 3.41Å; S243-G246 PolarHBondContact O-N 2.83Å; E244-G246 PolarHBondContact O-N 3.3Å
247Q90.1Very high89.2Confident56 Ų5638.1 Ų38.126%0.26220%0.199SC..  trans-95.6138.4179.5-64.9-63.7-3800111T204 L242 F245 F753T204-Q247 VanDerWaalsContact CB-OE1 3.28Å; T204-Q247 PolarHBondContact OG1-OE1 3.29Å; L242-Q247 HydrophobicContact CD1-CB 3.63Å; L242-Q247 HydrophobicContact CD1-CG 4.43Å; L242-Q247 HydrophobicContact CG-CB 3.94Å; L242-Q247 PolarHBondContact O-N 2.77Å; F245-Q247 HydrophobicContact CB-CG 4.37Å; F245-Q247 PolarHBondContact O-N 2.82Å; Q247-F753 HydrophobicContact CB-CD1 4.31Å; Q247-F753 HydrophobicContact CB-CE1 3.92Å; Q247-F753 HydrophobicContact CG-CE1 4.47Å
248R92.8Very high88.6Confident30 Ų3038.3 Ų38.311%0.11321%0.209CC..  trans-151.3132177.8-175.8178.5169.7-151.2-7.5111.5G63 P201 P202 T204 H205 E250G63-R248 PolarHBondContact O-NH1 3.24Å; G63-R248 PolarHBondContact O-NH2 2.86Å; P201-R248 HydrophobicContact CG-CB 4.2Å; P201-R248 WeakPolarHBondContact O-CD 3.31Å; P201-R248 PolarHBondContact O-NH1 3.48Å; P202-R248 WeakPolarHBondContact O-CB 3.48Å; T204-R248 PolarHBondContact N-O 3.47Å; T204-R248 PolarHBondContact OG1-N 2.87Å; T204-R248 VanDerWaalsContact OG1-N 3.09Å; T204-R248 PolarHBondContact OG1-O 3.01Å; H205-R248 PolarHBondContact N-O 3.04Å; R248-E250 IonicContact CZ-OE1 2.71Å; R248-E250 VanDerWaalsContact CZ-OE1 3.26Å; R248-E250 IonicContact NE-OE1 3.29Å; R248-E250 PolarHBondContact NE-OE1 3.02Å; R248-E250 IonicContact NH2-OE1 2.69Å; R248-E250 PolarHBondContact NH2-OE1 3.06Å
249L94.5Very high88Confident20 Ų2041.5 Ų41.511%0.10523%0.231CC..EExtended strand (participates in β ladder)trans-101.4125.1172.9174.261.3000109.7H205 C207 F251 L749 I752 F753H205-L249 HydrophobicContact CB-CD1 3.93Å; H205-L249 WeakPolarHBondContact O-CA 3.44Å; C207-L249 HydrophobicContact CB-CD1 4.03Å; L249-F251 HydrophobicContact CD2-CE2 3.7Å; L249-F251 HydrophobicContact CD2-CZ 3.58Å; L249-F251 HydrophobicContact CG-CD2 4.42Å; L249-F251 HydrophobicContact CG-CE2 3.79Å; L249-F251 HydrophobicContact CG-CZ 4.04Å; L249-L749 HydrophobicContact CD2-CD2 3.93Å; L249-I752 HydrophobicContact CD1-CD1 4.07Å; L249-I752 HydrophobicContact CD2-CD1 3.8Å; L249-F753 HydrophobicContact CB-CE2 3.92Å; L249-F753 HydrophobicContact CB-CZ 3.82Å
250E94.7Very high87.3Confident16 Ų1642.9 Ų42.98%0.07524%0.239CC..EExtended strand (participates in β ladder)trans-117.5148.8170.6-80.1-58.4160.300113.2M65 I203 H205 V206 C207 R228 R248M65-E250 HydrophobicContact SD-CG 4.41Å; I203-E250 HydrophobicContact CD1-CB 4.1Å; I203-E250 HydrophobicContact CD1-CG 3.68Å; I203-E250 HydrophobicContact CG1-CB 4.37Å; I203-E250 HydrophobicContact CG1-CG 3.77Å; I203-E250 HydrophobicContact CG2-CB 4.02Å; I203-E250 HydrophobicContact CG2-CG 4.26Å; H205-E250 PolarHBondContact O-N 3.15Å; V206-E250 CarbonylContact C-O 3.5Å; V206-E250 WeakPolarHBondContact CA-O 3.29Å; C207-E250 PolarHBondContact N-O 3.32Å; R228-E250 IonicContact NE-OE2 3.65Å; R228-E250 PolarHBondContact NE-OE2 2.89Å; R248-E250 IonicContact CZ-OE1 2.71Å; R248-E250 VanDerWaalsContact CZ-OE1 3.26Å; R248-E250 IonicContact NE-OE1 3.29Å; R248-E250 PolarHBondContact NE-OE1 3.02Å; R248-E250 IonicContact NH2-OE1 2.69Å; R248-E250 PolarHBondContact NH2-OE1 3.06Å
251F96Very high86.4Confident3 Ų343.9 Ų43.91%0.01325%0.249CC..EExtended strand (participates in β ladder)trans-110.6138.6179.2-65.9-93.4000110.2C207 V209 I227 R228 C231 L249 M748C207-F251 HydrophobicContact CB-CD1 3.72Å; C207-F251 HydrophobicContact CB-CE1 3.87Å; C207-F251 HydrophobicContact CB-CG 4.45Å; C207-F251 CarbonylContact O-C 3.55Å; C207-F251 VanDerWaalsContact O-CA 3.27Å; C207-F251 WeakPolarHBondContact O-CA 3.49Å; V209-F251 HydrophobicContact CG2-CB 4.1Å; V209-F251 HydrophobicContact CG2-CD1 3.74Å; V209-F251 HydrophobicContact CG2-CG 4.4Å; I227-F251 HydrophobicContact CG1-CE1 4.34Å; I227-F251 HydrophobicContact CG1-CZ 4.48Å; I227-F251 HydrophobicContact CG2-CD1 4.18Å; I227-F251 HydrophobicContact CG2-CE1 4.32Å; R228-F251 HydrophobicContact CB-CB 4.48Å; R228-F251 HydrophobicContact CB-CD2 3.89Å; R228-F251 HydrophobicContact CB-CG 4.44Å; R228-F251 HydrophobicContact CG-CD2 4.06Å; R228-F251 PolarHBondContact NH2-O 3.09Å; C231-F251 HydrophobicContact CB-CE2 3.96Å; C231-F251 HydrophobicContact CB-CZ 4.17Å; L249-F251 HydrophobicContact CD2-CE2 3.7Å; L249-F251 HydrophobicContact CD2-CZ 3.58Å; L249-F251 HydrophobicContact CG-CD2 4.42Å; L249-F251 HydrophobicContact CG-CE2 3.79Å; L249-F251 HydrophobicContact CG-CZ 4.04Å; F251-M748 HydrophobicContact CE1-CE 3.94Å; F251-M748 HydrophobicContact CZ-CE 4.32Å
252I95Very high85.5Confident0 Ų041.1 Ų41.10%024%0.237CC..EExtended strand (participates in β ladder)trans-126.4120.9176.1-60.8-179.5000109.1M65 Y79 V206 C207 F208 V209 L312 F316M65-I252 HydrophobicContact CE-CG1 4.27Å; Y79-I252 HydrophobicContact CD1-CD1 4.14Å; Y79-I252 HydrophobicContact CD2-CD1 4.24Å; Y79-I252 HydrophobicContact CD2-CG1 4.46Å; Y79-I252 HydrophobicContact CE1-CD1 4.29Å; Y79-I252 HydrophobicContact CE2-CD1 4.37Å; Y79-I252 HydrophobicContact CG-CD1 4.13Å; Y79-I252 HydrophobicContact CG-CG2 4.26Å; V206-I252 HydrophobicContact CG2-CD1 3.67Å; V206-I252 HydrophobicContact CG2-CG1 4.02Å; C207-I252 PolarHBondContact O-N 2.96Å; F208-I252 CarbonylContact C-O 3.45Å; F208-I252 WeakPolarHBondContact CA-O 3.28Å; F208-I252 HydrophobicContact CD1-CB 3.85Å; F208-I252 HydrophobicContact CD1-CG2 4.08Å; F208-I252 HydrophobicContact CE1-CB 3.95Å; F208-I252 HydrophobicContact CE1-CD1 3.94Å; F208-I252 HydrophobicContact CE1-CG1 4.47Å; F208-I252 HydrophobicContact CE1-CG2 4.04Å; F208-I252 HydrophobicContact CZ-CD1 4.46Å; V209-I252 PolarHBondContact N-O 2.95Å; I252-L312 HydrophobicContact CG2-CD1 4.11Å; I252-L312 HydrophobicContact CG2-CD2 4.07Å; I252-L312 HydrophobicContact CG2-CG 4.49Å; I252-F316 HydrophobicContact CD1-CB 4.36Å; I252-F316 HydrophobicContact CD1-CD2 3.83Å; I252-F316 HydrophobicContact CD1-CG 4.31Å
253P93.9Very high84.3Confident6 Ų644.1 Ų44.14%0.03925%0.253CS..EExtended strand (participates in β ladder)trans-72.3132.8178.928.7-31.6000111W80 I220 R221 C224W80-P253 HydrophobicContact CB-CG 4.47Å; W80-P253 HydrophobicContact CD2-CG 4.11Å; W80-P253 HydrophobicContact CE3-CG 3.61Å; W80-P253 HydrophobicContact CG-CG 4.49Å; W80-P253 HydrophobicContact CZ3-CG 4.23Å; I220-P253 HydrophobicContact CG1-CB 3.93Å; I220-P253 HydrophobicContact CG2-CB 4.2Å; R221-P253 HydrophobicContact CG-CB 4.24Å; R221-P253 HydrophobicContact CG-CG 3.93Å; C224-P253 HydrophobicContact CB-CB 3.83Å; C224-P253 HydrophobicContact CB-CG 4.47Å
254V92.2Very high83.2Confident0 Ų044 Ų440%025%0.252CS..EExtended strand (participates in β ladder)trans-104.6111.2178.7-173.50000109.2F208 V209 V210 H211 W256 L305 E308 L309 L312F208-V254 HydrophobicContact CB-CG2 3.75Å; F208-V254 HydrophobicContact CD1-CG2 4.09Å; F208-V254 HydrophobicContact CG-CG2 4.36Å; V209-V254 WeakPolarHBondContact O-CB 3.34Å; V209-V254 PolarHBondContact O-N 3.16Å; V210-V254 HydrophobicContact CG2-CB 4.16Å; V210-V254 HydrophobicContact CG2-CG1 4.48Å; V210-V254 HydrophobicContact CG2-CG2 4.12Å; H211-V254 PolarHBondContact CD2-O 3.23Å; V254-W256 PolarHBondContact O-N 3.29Å; V254-L305 HydrophobicContact CG1-CD1 3.5Å; V254-L305 VanDerWaalsContact CG1-CD1 3.5Å; V254-E308 HydrophobicContact CG1-CB 4.22Å; V254-E308 HydrophobicContact CG1-CG 3.8Å; V254-L309 HydrophobicContact CG1-CD2 4.16Å; V254-L309 HydrophobicContact CG1-CG 4.16Å; V254-L309 HydrophobicContact CG2-CD2 3.71Å; V254-L312 HydrophobicContact CB-CD1 4.32Å; V254-L312 HydrophobicContact CG1-CD1 4.32Å; V254-L312 HydrophobicContact CG2-CD1 3.99Å
255N88.9Confident82.3Confident37 Ų3744.6 Ų44.620%0.19825%0.253CS..  trans-102.670-177.5-171.3-2.7000111.7I220 R257 S258I220-N255 HydrophobicContact CG2-CB 4.16Å; N255-R257 VanDerWaalsContact C-N 3.26Å; N255-R257 PolarHBondContact O-N 2.9Å; N255-S258 WeakPolarHBondContact ND2-CB 3.46Å; N255-S258 PolarHBondContact ND2-OG 3.43Å; N255-S258 PolarHBondContact O-OG 3.35Å; N255-S258 VanDerWaalsContact O-OG 3.13Å; N255-S258 WeakPolarHBondContact OD1-CB 3.48Å; N255-S258 PolarHBondContact OD1-N 2.51Å; N255-S258 PolarHBondContact OD1-OG 3.47Å
256W87.7Confident81.6Confident0 Ų043.6 Ų43.60%025%0.254CS..THydrogen-bonded Turntrans-68.3-23.4-175.463.3-98.6000113.8H211 V254 S259 L260 I301 S304 L305 I341H211-W256 AromaticContact CD2-CD1 3.89Å; H211-W256 AromaticContact CD2-NE1 3.83Å; H211-W256 AromaticContact CE1-CD1 3.62Å; H211-W256 AromaticContact CE1-CD2 3.97Å; H211-W256 AromaticContact CE1-CE2 3.26Å; H211-W256 AromaticContact CE1-CZ2 3.62Å; H211-W256 AromaticContact CE1-NE1 3.04Å; H211-W256 PolarHBondContact CE1-NE1 2.69Å; H211-W256 AromaticContact CG-NE1 3.85Å; H211-W256 AromaticContact ND1-CE2 3.83Å; H211-W256 AromaticContact ND1-NE1 3.38Å; H211-W256 PolarHBondContact ND1-NE1 2.8Å; H211-W256 AromaticContact NE2-CD1 3.41Å; H211-W256 AromaticContact NE2-CE2 3.85Å; H211-W256 AromaticContact NE2-CG 3.98Å; H211-W256 AromaticContact NE2-NE1 3.36Å; H211-W256 PolarHBondContact NE2-NE1 3.26Å; H211-W256 PolarHBondContact O-NE1 3.48Å; H211-W256 VanDerWaalsContact O-NE1 3.11Å; V254-W256 PolarHBondContact O-N 3.29Å; W256-S259 PolarHBondContact O-OG 3.21Å; W256-L260 HydrophobicContact CE3-CD1 3.91Å; W256-L260 HydrophobicContact CZ3-CD1 3.92Å; W256-I301 HydrophobicContact CE3-CG2 3.86Å; W256-I301 HydrophobicContact CH2-CG2 4.14Å; W256-I301 HydrophobicContact CZ3-CB 4.42Å; W256-I301 HydrophobicContact CZ3-CG1 4.13Å; W256-I301 HydrophobicContact CZ3-CG2 3.57Å; W256-S304 PolarHBondContact O-OG 3.31Å; W256-L305 HydrophobicContact CB-CB 3.73Å; W256-L305 HydrophobicContact CB-CD1 3.75Å; W256-L305 HydrophobicContact CB-CG 4.33Å; W256-L305 HydrophobicContact CG-CB 4.18Å; W256-L305 HydrophobicContact CG-CD1 4.05Å; W256-I341 HydrophobicContact CD2-CD1 4.37Å; W256-I341 HydrophobicContact CH2-CD1 4Å; W256-I341 HydrophobicContact CZ2-CD1 3.65Å; W256-I341 HydrophobicContact CZ3-CD1 4.48Å
257R84Confident81Confident16 Ų1643.7 Ų43.76%0.0625%0.248CC..THydrogen-bonded Turntrans-79.3-30.4-176.3-172.2174.5-174.173.12.7113Q215 N255 S259 L260 V287 D288Q215-R257 HydrophobicContact CB-CB 4.46Å; Q215-R257 HydrophobicContact CG-CB 4.38Å; N255-R257 VanDerWaalsContact C-N 3.26Å; N255-R257 PolarHBondContact O-N 2.9Å; R257-S259 VanDerWaalsContact C-N 3.29Å; R257-S259 PolarHBondContact O-N 2.73Å; R257-L260 PolarHBondContact O-N 3.08Å; R257-L260 VanDerWaalsContact O-N 3.08Å; R257-V287 VanDerWaalsContact NH2-CG1 3.26Å; R257-D288 WeakPolarHBondContact CD-OD2 3.43Å; R257-D288 IonicContact CZ-OD1 3.45Å; R257-D288 IonicContact CZ-OD2 3.26Å; R257-D288 IonicContact NE-OD1 3.2Å; R257-D288 PolarHBondContact NE-OD1 3.2Å; R257-D288 IonicContact NE-OD2 3.51Å; R257-D288 IonicContact NH1-OD1 3.69Å; R257-D288 PolarHBondContact NH1-OD1 2.86Å; R257-D288 IonicContact NH1-OD2 3.78Å; R257-D288 PolarHBondContact NH1-OD2 3.4Å; R257-D288 IonicContact NH2-OD1 2.81Å; R257-D288 PolarHBondContact NH2-OD1 3.01Å
258S77Confident80.3Confident70 Ų7045.8 Ų45.849%0.4926%0.261SS..THydrogen-bonded Turntrans-67.3-23.9-168.665.90000115.8N255N255-S258 WeakPolarHBondContact ND2-CB 3.46Å; N255-S258 PolarHBondContact ND2-OG 3.43Å; N255-S258 PolarHBondContact O-OG 3.35Å; N255-S258 VanDerWaalsContact O-OG 3.13Å; N255-S258 WeakPolarHBondContact OD1-CB 3.48Å; N255-S258 PolarHBondContact OD1-N 2.51Å; N255-S258 PolarHBondContact OD1-OG 3.47Å
259S71.8Confident79.6Confident75 Ų7551.1 Ų51.152%0.52429%0.292SS..THydrogen-bonded Turntrans-83-14.6175.540.30000113.2W256 R257 S304W256-S259 PolarHBondContact O-OG 3.21Å; R257-S259 VanDerWaalsContact C-N 3.29Å; R257-S259 PolarHBondContact O-N 2.73Å; S259-S304 PolarHBondContact OG-OG 3.2Å
260L73.4Confident79Confident37 Ų3754.9 Ų54.919%0.19432%0.316CS..  trans-90.2117.1-177.5-63.4170000110.2W256 R257 L262 D300 I301W256-L260 HydrophobicContact CE3-CD1 3.91Å; W256-L260 HydrophobicContact CZ3-CD1 3.92Å; R257-L260 PolarHBondContact O-N 3.08Å; R257-L260 VanDerWaalsContact O-N 3.08Å; L260-L262 HydrophobicContact CB-CD1 4.3Å; L260-L262 HydrophobicContact CB-CD2 4.47Å; L260-L262 HydrophobicContact CB-CG 3.88Å; L260-L262 HydrophobicContact CD1-CD1 4.36Å; L260-L262 PolarHBondContact O-N 3.32Å; L260-D300 HydrophobicContact CD2-CB 4.35Å; L260-I301 HydrophobicContact CD1-CB 4.37Å; L260-I301 HydrophobicContact CD1-CG1 3.71Å
261S66.2Low78.4Confident111 Ų11155 Ų5578%0.77632%0.317SS*.  trans-78.963164.859.50000109.9N263S261-N263 PolarHBondContact O-N 2.75Å
262L65.9Low77.9Confident19 Ų1959.3 Ų59.310%0.09934%0.34CS..  trans-63.6122.4170.6-64.6169.9000107L260 S264 Y291 Y297L260-L262 HydrophobicContact CB-CD1 4.3Å; L260-L262 HydrophobicContact CB-CD2 4.47Å; L260-L262 HydrophobicContact CB-CG 3.88Å; L260-L262 HydrophobicContact CD1-CD1 4.36Å; L260-L262 PolarHBondContact O-N 3.32Å; L262-S264 VanDerWaalsContact C-N 3.3Å; L262-S264 PolarHBondContact O-N 3.08Å; L262-Y291 HydrophobicContact CB-CD2 4.06Å; L262-Y291 HydrophobicContact CB-CE1 4.23Å; L262-Y291 HydrophobicContact CB-CE2 3.68Å; L262-Y291 HydrophobicContact CB-CG 4.49Å; L262-Y291 HydrophobicContact CD1-CD2 3.77Å; L262-Y291 HydrophobicContact CD1-CE2 4.22Å; L262-Y291 HydrophobicContact CD1-CG 4.11Å; L262-Y291 HydrophobicContact CD2-CD1 3.87Å; L262-Y291 HydrophobicContact CD2-CD2 4.25Å; L262-Y291 HydrophobicContact CD2-CE1 4.22Å; L262-Y291 HydrophobicContact CD2-CG 3.89Å; L262-Y291 HydrophobicContact CG-CD2 4.23Å; L262-Y291 HydrophobicContact CG-CE2 4.36Å; L262-Y291 HydrophobicContact CG-CG 4.37Å; L262-Y297 HydrophobicContact CD2-CD1 3.76Å; L262-Y297 HydrophobicContact CD2-CE1 4.33Å; L262-Y297 HydrophobicContact CD2-CG 4.4Å
263N61.6Low77.3Confident76 Ų7662.1 Ų62.141%0.40636%0.363SS..  trans-57.182.5-163.9-78.9-39.9000113.6S261 K265 T266 L267 Y291S261-N263 PolarHBondContact O-N 2.75Å; N263-K265 PolarHBondContact O-N 3.33Å; N263-T266 WeakPolarHBondContact CB-OG1 3.26Å; N263-T266 WeakPolarHBondContact O-CB 3.46Å; N263-T266 PolarHBondContact O-N 3.35Å; N263-L267 PolarHBondContact O-N 3.38Å; N263-Y291 PolarHBondContact N-OH 3.4Å; N263-Y291 PolarHBondContact O-OH 3.43Å
264S63.6Low76.9Confident74 Ų7468.2 Ų68.252%0.51739%0.391SS..Hα-helixtrans-60.6-29.5176.757.20000111.7L262 L267 N268L262-S264 VanDerWaalsContact C-N 3.3Å; L262-S264 PolarHBondContact O-N 3.08Å; S264-L267 WeakPolarHBondContact O-CB 3.4Å; S264-L267 PolarHBondContact O-N 3.17Å; S264-N268 VanDerWaalsContact O-CG 3.23Å; S264-N268 PolarHBondContact O-N 3.01Å
265K65.6Low76.5Confident165 Ų16573.9 Ų73.972%0.71742%0.421SS*.Hα-helixtrans-62.3-44.8172.6-66.8-175.3179.6-179.40112.1N263 L267 N268 N269N263-K265 PolarHBondContact O-N 3.33Å; K265-L267 VanDerWaalsContact C-N 3.29Å; K265-L267 PolarHBondContact O-N 3.36Å; K265-N268 PolarHBondContact O-N 3.03Å; K265-N269 PolarHBondContact O-N 2.88Å; K265-N269 PolarHBondContact O-ND2 3.2Å; K265-N269 PolarHBondContact O-OD1 3.25Å
266T72.3Confident76.1Confident76 Ų7678.4 Ų78.447%0.46644%0.435SS..Hα-helixtrans-61.2-43.3176.2-54.60000110.5N263 N268 N269 V270N263-T266 WeakPolarHBondContact CB-OG1 3.26Å; N263-T266 WeakPolarHBondContact O-CB 3.46Å; N263-T266 PolarHBondContact O-N 3.35Å; T266-N268 PolarHBondContact O-N 3.01Å; T266-N269 PolarHBondContact O-N 2.84Å; T266-V270 PolarHBondContact O-N 3.16Å; T266-V270 VanDerWaalsContact O-N 3.13Å
267L74.4Confident75.8Confident30 Ų3083.6 Ų83.616%0.15747%0.469CS..Hα-helixtrans-61.6-44.3177.4-154.779.9000112.1N263 S264 K265 N269 V270 T271 N283 V287N263-L267 PolarHBondContact O-N 3.38Å; S264-L267 WeakPolarHBondContact O-CB 3.4Å; S264-L267 PolarHBondContact O-N 3.17Å; K265-L267 VanDerWaalsContact C-N 3.29Å; K265-L267 PolarHBondContact O-N 3.36Å; L267-N269 VanDerWaalsContact C-N 3.29Å; L267-N269 PolarHBondContact O-N 2.98Å; L267-V270 VanDerWaalsContact O-CG2 3.24Å; L267-V270 WeakPolarHBondContact O-CG2 3.36Å; L267-V270 PolarHBondContact O-N 2.74Å; L267-T271 WeakPolarHBondContact O-CB 3.5Å; L267-T271 PolarHBondContact O-N 3.2Å; L267-T271 PolarHBondContact O-OG1 3.27Å; L267-N283 HydrophobicContact CD2-CB 3.43Å; L267-N283 VanDerWaalsContact CD2-CB 3.43Å; L267-N283 HydrophobicContact CG-CB 4.35Å; L267-V287 HydrophobicContact CD1-CB 4.49Å; L267-V287 HydrophobicContact CD1-CG2 3.46Å; L267-V287 VanDerWaalsContact CD1-CG2 3.46Å; L267-V287 HydrophobicContact CD2-CG2 4.23Å
268N74.4Confident75.6Confident100 Ų10087.2 Ų87.254%0.53549%0.489SS..Hα-helixtrans-63-36.7177.2-71.7-13.9000112S264 K265 T266 T271S264-N268 VanDerWaalsContact O-CG 3.23Å; S264-N268 PolarHBondContact O-N 3.01Å; K265-N268 PolarHBondContact O-N 3.03Å; T266-N268 PolarHBondContact O-N 3.01Å; N268-T271 PolarHBondContact O-N 3.47Å
269N78.6Confident75.8Confident142 Ų14287.4 Ų87.476%0.75948%0.479SS*.Hα-helixtrans-69.3-32.6179.1-67.8-8.8000112.7K265 T266 L267K265-N269 PolarHBondContact O-N 2.88Å; K265-N269 PolarHBondContact O-ND2 3.2Å; K265-N269 PolarHBondContact O-OD1 3.25Å; T266-N269 PolarHBondContact O-N 2.84Å; L267-N269 VanDerWaalsContact C-N 3.29Å; L267-N269 PolarHBondContact O-N 2.98Å
270V82.4Confident76.1Confident99 Ų9986.3 Ų86.360%0.647%0.467SS*.Hα-helixtrans-88-13.8175.1-58.60000113T266 L267 I272T266-V270 PolarHBondContact O-N 3.16Å; T266-V270 VanDerWaalsContact O-N 3.13Å; L267-V270 VanDerWaalsContact O-CG2 3.24Å; L267-V270 WeakPolarHBondContact O-CG2 3.36Å; L267-V270 PolarHBondContact O-N 2.74Å; V270-I272 PolarHBondContact O-N 3.33Å
271T80.7Confident76.2Confident18 Ų1890.9 Ų90.911%0.1148%0.483CS..  trans-76.797.2-179.9-62.20000110.3L267 N268 R279 N283L267-T271 WeakPolarHBondContact O-CB 3.5Å; L267-T271 PolarHBondContact O-N 3.2Å; L267-T271 PolarHBondContact O-OG1 3.27Å; N268-T271 PolarHBondContact O-N 3.47Å; T271-R279 HydrophobicContact CG2-CB 3.85Å; T271-N283 PolarHBondContact OG1-ND2 2.89Å
272I86Confident76.6Confident94 Ų9489 Ų8948%0.48246%0.463SS..  trans-62.3142.7177.6-62.8160.8000110.2V270 Q274 R279V270-I272 PolarHBondContact O-N 3.33Å; I272-Q274 PolarHBondContact O-N 2.67Å; I272-R279 VanDerWaalsContact C-NH1 3.31Å; I272-R279 WeakPolarHBondContact O-CD 3.46Å; I272-R279 PolarHBondContact O-NH1 3.44Å
273A82.9Confident77.2Confident60 Ų6089.3 Ų89.350%0.49647%0.465SS..SBendtrans-67.4-31.8-168.900000115.3R276A273-R276 WeakPolarHBondContact O-CB 3.46Å; A273-R276 PolarHBondContact O-N 2.99Å
274Q84.9Confident77.8Confident133 Ų13388.9 Ų88.962%0.62146%0.461SS*.THydrogen-bonded Turntrans-62.3141174.9-63.184.73.900109.9I272 R276 R279I272-Q274 PolarHBondContact O-N 2.67Å; Q274-R276 PolarHBondContact O-N 3.4Å; Q274-R276 VanDerWaalsContact O-N 3.12Å; Q274-R279 PolarHBondContact O-NH1 2.92Å
275L83.6Confident78.2Confident120 Ų12085.8 Ų85.863%0.62844%0.439SS*.THydrogen-bonded Turntrans55.428.2-179-55.5172.7000114.3P277 L278 R279L275-P277 VanDerWaalsContact C-CD 3.44Å; L275-P277 VanDerWaalsContact C-N 3.33Å; L275-L278 HydrophobicContact CB-CB 4.41Å; L275-L278 PolarHBondContact O-N 2.87Å; L275-R279 PolarHBondContact O-N 3.45Å
276R81.8Confident78.8Confident132 Ų13283 Ų8350%0.49843%0.427SS..Hα-helixtrans-47.6-44.7-179.5-175.8176.2-68.1177-1.5113.8A273 Q274 L278 R279 D280A273-R276 WeakPolarHBondContact O-CB 3.46Å; A273-R276 PolarHBondContact O-N 2.99Å; Q274-R276 PolarHBondContact O-N 3.4Å; Q274-R276 VanDerWaalsContact O-N 3.12Å; R276-L278 VanDerWaalsContact C-N 3.34Å; R276-L278 PolarHBondContact O-N 3.36Å; R276-R279 PolarHBondContact O-N 2.86Å; R276-D280 WeakPolarHBondContact CG-OD2 3.42Å; R276-D280 WeakPolarHBondContact O-CB 3.44Å; R276-D280 PolarHBondContact O-N 3Å
277P81.6Confident79.2Confident108 Ų10879.6 Ų79.670%0.70141%0.406SS*.Hα-helixtrans-59.8-40.4178-24.534.7000114L275 Y281L275-P277 VanDerWaalsContact C-CD 3.44Å; L275-P277 VanDerWaalsContact C-N 3.33Å; P277-Y281 PolarHBondContact O-N 2.83Å; P277-Y281 VanDerWaalsContact O-N 3.11Å
278L78.1Confident79.7Confident92 Ų9278.2 Ų78.248%0.48240%0.399SS..Hα-helixtrans-70-42.8176.9176.863.3000110.8L275 R276 Y281 I282L275-L278 HydrophobicContact CB-CB 4.41Å; L275-L278 PolarHBondContact O-N 2.87Å; R276-L278 VanDerWaalsContact C-N 3.34Å; R276-L278 PolarHBondContact O-N 3.36Å; L278-Y281 WeakPolarHBondContact O-CB 3.46Å; L278-Y281 PolarHBondContact O-N 3.1Å; L278-I282 HydrophobicContact CD1-CD1 4.25Å; L278-I282 HydrophobicContact CD1-CG1 4.48Å; L278-I282 HydrophobicContact CG-CD1 4.03Å; L278-I282 WeakPolarHBondContact O-CG1 3.4Å; L278-I282 PolarHBondContact O-N 2.93Å
279R82.3Confident80.2Confident74 Ų7476.5 Ų76.528%0.27939%0.389SS..Hα-helixtrans-63.9-41.6177.4-73.6-179163.7144.8-7.5111.6T271 I272 Q274 L275 R276 Y281 I282 N283T271-R279 HydrophobicContact CG2-CB 3.85Å; I272-R279 VanDerWaalsContact C-NH1 3.31Å; I272-R279 WeakPolarHBondContact O-CD 3.46Å; I272-R279 PolarHBondContact O-NH1 3.44Å; Q274-R279 PolarHBondContact O-NH1 2.92Å; L275-R279 PolarHBondContact O-N 3.45Å; R276-R279 PolarHBondContact O-N 2.86Å; R279-Y281 VanDerWaalsContact C-N 3.32Å; R279-Y281 PolarHBondContact O-N 2.89Å; R279-I282 PolarHBondContact O-N 3.2Å; R279-N283 WeakPolarHBondContact O-CB 3.42Å; R279-N283 PolarHBondContact O-N 3.12Å; R279-N283 PolarHBondContact O-ND2 3.31Å
280D78Confident80.5Confident52 Ų5275.2 Ų75.228%0.27838%0.381SS..Hα-helixtrans-61.3-41.3175-69.5-18.3000111.1R276 N283 Q284R276-D280 WeakPolarHBondContact CG-OD2 3.42Å; R276-D280 WeakPolarHBondContact O-CB 3.44Å; R276-D280 PolarHBondContact O-N 3Å; D280-N283 PolarHBondContact O-N 3.36Å; D280-Q284 WeakPolarHBondContact O-CB 3.42Å; D280-Q284 WeakPolarHBondContact O-CG 3.24Å; D280-Q284 PolarHBondContact O-N 3.23Å
281Y74.5Confident80.6Confident133 Ų13371.6 Ų71.652%0.52236%0.357SS..Hα-helixtrans-62.6-46.8173.6177.1-93.2000112.5L217 P277 L278 R279 N283 Q284 S285L217-Y281 HydrophobicContact CD1-CD2 3.84Å; L217-Y281 HydrophobicContact CD1-CE2 3.64Å; L217-Y281 HydrophobicContact CD2-CD2 4.15Å; L217-Y281 HydrophobicContact CD2-CE2 4.43Å; P277-Y281 PolarHBondContact O-N 2.83Å; P277-Y281 VanDerWaalsContact O-N 3.11Å; L278-Y281 WeakPolarHBondContact O-CB 3.46Å; L278-Y281 PolarHBondContact O-N 3.1Å; R279-Y281 VanDerWaalsContact C-N 3.32Å; R279-Y281 PolarHBondContact O-N 2.89Å; Y281-N283 VanDerWaalsContact C-N 3.35Å; Y281-Q284 PolarHBondContact O-N 3.49Å; Y281-S285 WeakPolarHBondContact O-CB 3.27Å; Y281-S285 PolarHBondContact O-N 2.85Å; Y281-S285 PolarHBondContact O-OG 2.84Å
282I76.4Confident81Confident71 Ų7170.9 Ų70.936%0.36435%0.352SS..Hα-helixtrans-61.7-46.1177.3-69.7168.5000110.2L278 R279 Q284 S285 F286L278-I282 HydrophobicContact CD1-CD1 4.25Å; L278-I282 HydrophobicContact CD1-CG1 4.48Å; L278-I282 HydrophobicContact CG-CD1 4.03Å; L278-I282 WeakPolarHBondContact O-CG1 3.4Å; L278-I282 PolarHBondContact O-N 2.93Å; R279-I282 PolarHBondContact O-N 3.2Å; I282-Q284 VanDerWaalsContact C-N 3.32Å; I282-Q284 PolarHBondContact O-N 2.82Å; I282-S285 PolarHBondContact O-N 3.36Å; I282-S285 VanDerWaalsContact O-N 3.12Å; I282-F286 HydrophobicContact CB-CD2 4.49Å; I282-F286 HydrophobicContact CG2-CB 4.47Å; I282-F286 HydrophobicContact CG2-CD2 4.03Å; I282-F286 PolarHBondContact O-N 2.81Å
283N77.9Confident80.9Confident27 Ų2770.8 Ų70.814%0.14436%0.356CS..Hα-helixtrans-58.7-42.4176.8-81.7-13.3000111.9L267 T271 R279 D280 Y281 S285 V287L267-N283 HydrophobicContact CD2-CB 3.43Å; L267-N283 VanDerWaalsContact CD2-CB 3.43Å; L267-N283 HydrophobicContact CG-CB 4.35Å; T271-N283 PolarHBondContact OG1-ND2 2.89Å; R279-N283 WeakPolarHBondContact O-CB 3.42Å; R279-N283 PolarHBondContact O-N 3.12Å; R279-N283 PolarHBondContact O-ND2 3.31Å; D280-N283 PolarHBondContact O-N 3.36Å; Y281-N283 VanDerWaalsContact C-N 3.35Å; N283-S285 VanDerWaalsContact C-N 3.3Å; N283-S285 PolarHBondContact O-N 3.5Å; N283-V287 WeakPolarHBondContact O-CB 3.23Å; N283-V287 WeakPolarHBondContact O-CG1 3.2Å
284Q73.5Confident81.1Confident67 Ų6769.6 Ų69.631%0.31334%0.344SS..Hα-helixtrans-73.4-24.5177.6-69.2169.128.300112.8G214 Q216 L217 D280 Y281 I282G214-Q284 WeakPolarHBondContact CA-O 3.24Å; Q216-Q284 HydrophobicContact CB-CB 4.11Å; Q216-Q284 HydrophobicContact CB-CG 4.25Å; L217-Q284 HydrophobicContact CD1-CB 4.14Å; L217-Q284 HydrophobicContact CD2-CB 4.17Å; L217-Q284 HydrophobicContact CG-CB 3.82Å; D280-Q284 WeakPolarHBondContact O-CB 3.42Å; D280-Q284 WeakPolarHBondContact O-CG 3.24Å; D280-Q284 PolarHBondContact O-N 3.23Å; Y281-Q284 PolarHBondContact O-N 3.49Å; I282-Q284 VanDerWaalsContact C-N 3.32Å; I282-Q284 PolarHBondContact O-N 2.82Å
285S71.4Confident80.9Confident9 Ų968 Ų686%0.06335%0.345CS..Hα-helixtrans-91.5-53.9-177.1-56.80000113.5I213 G214 L217 Y281 I282 N283I213-S285 VanDerWaalsContact CB-O 3.24Å; I213-S285 WeakPolarHBondContact CB-O 3.15Å; I213-S285 WeakPolarHBondContact CG1-O 3.35Å; G214-S285 PolarHBondContact N-O 2.83Å; L217-S285 WeakPolarHBondContact CD1-OG 3.16Å; Y281-S285 WeakPolarHBondContact O-CB 3.27Å; Y281-S285 PolarHBondContact O-N 2.85Å; Y281-S285 PolarHBondContact O-OG 2.84Å; I282-S285 PolarHBondContact O-N 3.36Å; I282-S285 VanDerWaalsContact O-N 3.12Å; N283-S285 VanDerWaalsContact C-N 3.3Å; N283-S285 PolarHBondContact O-N 3.5Å
286F79.5Confident80.8Confident105 Ų10567.2 Ų67.246%0.46135%0.346SS..Hα-helixtrans-102.7-15.6-164.4-69.3-84.4000114I213 I282 D288 I289 L290I213-F286 HydrophobicContact CD1-CD1 4.41Å; I282-F286 HydrophobicContact CB-CD2 4.49Å; I282-F286 HydrophobicContact CG2-CB 4.47Å; I282-F286 HydrophobicContact CG2-CD2 4.03Å; I282-F286 PolarHBondContact O-N 2.81Å; F286-D288 PolarHBondContact O-N 3.14Å; F286-D288 VanDerWaalsContact O-N 3.1Å; F286-I289 HydrophobicContact CD1-CD1 4.05Å; F286-I289 WeakPolarHBondContact O-CB 3.4Å; F286-I289 PolarHBondContact O-N 3.33Å; F286-L290 PolarHBondContact O-N 2.91Å
287V81Confident80.9Confident6 Ų664 Ų644%0.03633%0.334CS..Hα-helixtrans-60.5-27.5-176.181.90000112.1R257 L267 N283 I289 L290 Y291R257-V287 VanDerWaalsContact NH2-CG1 3.26Å; L267-V287 HydrophobicContact CD1-CB 4.49Å; L267-V287 HydrophobicContact CD1-CG2 3.46Å; L267-V287 VanDerWaalsContact CD1-CG2 3.46Å; L267-V287 HydrophobicContact CD2-CG2 4.23Å; N283-V287 WeakPolarHBondContact O-CB 3.23Å; N283-V287 WeakPolarHBondContact O-CG1 3.2Å; V287-I289 PolarHBondContact O-N 2.78Å; V287-L290 PolarHBondContact O-N 2.86Å; V287-L290 VanDerWaalsContact O-N 3.1Å; V287-Y291 HydrophobicContact CB-CD2 4.34Å; V287-Y291 HydrophobicContact CB-CE2 4.27Å; V287-Y291 HydrophobicContact CG1-CD2 4.09Å; V287-Y291 HydrophobicContact CG1-CE2 4.01Å; V287-Y291 HydrophobicContact CG2-CD2 3.65Å; V287-Y291 HydrophobicContact CG2-CE2 3.33Å; V287-Y291 WeakPolarHBondContact O-CD2 3.38Å; V287-Y291 PolarHBondContact O-N 3.38Å
288D84.4Confident81.3Confident0 Ų061.8 Ų61.80%031%0.312CS..Hα-helixtrans-56.8-39.5175.9-61.322.8000111I213 G214 R257 F286 Y292 L337I213-D288 HydrophobicContact CB-CB 4.23Å; I213-D288 HydrophobicContact CG2-CB 4.19Å; G214-D288 PolarHBondContact N-OD2 2.81Å; R257-D288 WeakPolarHBondContact CD-OD2 3.43Å; R257-D288 IonicContact CZ-OD1 3.45Å; R257-D288 IonicContact CZ-OD2 3.26Å; R257-D288 IonicContact NE-OD1 3.2Å; R257-D288 PolarHBondContact NE-OD1 3.2Å; R257-D288 IonicContact NE-OD2 3.51Å; R257-D288 IonicContact NH1-OD1 3.69Å; R257-D288 PolarHBondContact NH1-OD1 2.86Å; R257-D288 IonicContact NH1-OD2 3.78Å; R257-D288 PolarHBondContact NH1-OD2 3.4Å; R257-D288 IonicContact NH2-OD1 2.81Å; R257-D288 PolarHBondContact NH2-OD1 3.01Å; F286-D288 PolarHBondContact O-N 3.14Å; F286-D288 VanDerWaalsContact O-N 3.1Å; D288-Y292 WeakPolarHBondContact O-CB 3.21Å; D288-Y292 PolarHBondContact O-N 3.24Å; D288-L337 HydrophobicContact CB-CD2 3.88Å
289I85.5Confident81.7Confident65 Ų6561.7 Ų61.733%0.33331%0.311SS..Hα-helixtrans-67.4-47175.9-59.6170000109.6I213 F286 V287 Y291 Y292 T293 L337I213-I289 HydrophobicContact CD1-CD1 4.14Å; I213-I289 HydrophobicContact CG2-CD1 3.99Å; I213-I289 HydrophobicContact CG2-CG1 3.61Å; F286-I289 HydrophobicContact CD1-CD1 4.05Å; F286-I289 WeakPolarHBondContact O-CB 3.4Å; F286-I289 PolarHBondContact O-N 3.33Å; V287-I289 PolarHBondContact O-N 2.78Å; I289-Y291 VanDerWaalsContact C-N 3.32Å; I289-Y291 PolarHBondContact O-N 2.87Å; I289-Y292 PolarHBondContact O-N 3.46Å; I289-Y292 VanDerWaalsContact O-N 3.08Å; I289-T293 HydrophobicContact CG2-CG2 4.24Å; I289-T293 WeakPolarHBondContact O-CG2 3.37Å; I289-T293 PolarHBondContact O-N 2.81Å; I289-T293 PolarHBondContact O-OG1 3.46Å; I289-L337 HydrophobicContact CG1-CD2 4.41Å
290L84.3Confident81.9Confident114 Ų11461.7 Ų61.760%0.59732%0.317SS*.Hα-helixtrans-62.2-39.1-179.3-60179000112.4F286 V287 T293 S294F286-L290 PolarHBondContact O-N 2.91Å; V287-L290 PolarHBondContact O-N 2.86Å; V287-L290 VanDerWaalsContact O-N 3.1Å; L290-T293 PolarHBondContact O-OG1 3.42Å; L290-S294 PolarHBondContact O-N 2.79Å
291Y85.5Confident82.5Confident23 Ų2359.2 Ų59.29%0.0930%0.304CS..Hα-helixtrans-67.4-42.7172.6-76.1-62.7000110.7L262 N263 V287 I289 T293 S294 Y297L262-Y291 HydrophobicContact CB-CD2 4.06Å; L262-Y291 HydrophobicContact CB-CE1 4.23Å; L262-Y291 HydrophobicContact CB-CE2 3.68Å; L262-Y291 HydrophobicContact CB-CG 4.49Å; L262-Y291 HydrophobicContact CD1-CD2 3.77Å; L262-Y291 HydrophobicContact CD1-CE2 4.22Å; L262-Y291 HydrophobicContact CD1-CG 4.11Å; L262-Y291 HydrophobicContact CD2-CD1 3.87Å; L262-Y291 HydrophobicContact CD2-CD2 4.25Å; L262-Y291 HydrophobicContact CD2-CE1 4.22Å; L262-Y291 HydrophobicContact CD2-CG 3.89Å; L262-Y291 HydrophobicContact CG-CD2 4.23Å; L262-Y291 HydrophobicContact CG-CE2 4.36Å; L262-Y291 HydrophobicContact CG-CG 4.37Å; N263-Y291 PolarHBondContact N-OH 3.4Å; N263-Y291 PolarHBondContact O-OH 3.43Å; V287-Y291 HydrophobicContact CB-CD2 4.34Å; V287-Y291 HydrophobicContact CB-CE2 4.27Å; V287-Y291 HydrophobicContact CG1-CD2 4.09Å; V287-Y291 HydrophobicContact CG1-CE2 4.01Å; V287-Y291 HydrophobicContact CG2-CD2 3.65Å; V287-Y291 HydrophobicContact CG2-CE2 3.33Å; V287-Y291 WeakPolarHBondContact O-CD2 3.38Å; V287-Y291 PolarHBondContact O-N 3.38Å; I289-Y291 VanDerWaalsContact C-N 3.32Å; I289-Y291 PolarHBondContact O-N 2.87Å; Y291-T293 VanDerWaalsContact C-N 3.35Å; Y291-T293 PolarHBondContact O-N 3.44Å; Y291-S294 WeakPolarHBondContact O-CB 3.08Å; Y291-S294 PolarHBondContact O-N 2.92Å; Y291-S294 VanDerWaalsContact O-N 3.17Å; Y291-Y297 AromaticContact CD1-CD1 3.98Å; Y291-Y297 HydrophobicContact CD1-CD1 3.98Å; Y291-Y297 AromaticContact CD1-CD2 3.61Å; Y291-Y297 HydrophobicContact CD1-CD2 3.61Å; Y291-Y297 HydrophobicContact CD1-CE1 4.18Å; Y291-Y297 AromaticContact CD1-CE2 3.84Å; Y291-Y297 HydrophobicContact CD1-CE2 3.84Å; Y291-Y297 AromaticContact CD1-CG 3.68Å; Y291-Y297 HydrophobicContact CD1-CG 3.68Å; Y291-Y297 HydrophobicContact CE1-CD1 4.37Å; Y291-Y297 HydrophobicContact CE1-CD2 4.22Å; Y291-Y297 HydrophobicContact CE1-CE1 4.12Å; Y291-Y297 AromaticContact CE1-CE2 3.96Å; Y291-Y297 HydrophobicContact CE1-CE2 3.96Å; Y291-Y297 HydrophobicContact CE1-CG 4.41Å; Y291-Y297 AromaticContact CE1-CZ 3.9Å; Y291-Y297 VanDerWaalsContact O-CB 3.3Å; Y291-Y297 WeakPolarHBondContact O-CB 3.21Å
292Y87.2Confident83.2Confident3 Ų353.1 Ų53.11%0.01228%0.28CS..Hα-helixtrans-68.4-31.3-178.9-163.4-102.3000114.1D288 I289 S294 R298 I301 M302 L337 V340 I341 D344 F461D288-Y292 WeakPolarHBondContact O-CB 3.21Å; D288-Y292 PolarHBondContact O-N 3.24Å; I289-Y292 PolarHBondContact O-N 3.46Å; I289-Y292 VanDerWaalsContact O-N 3.08Å; Y292-S294 PolarHBondContact O-N 2.7Å; Y292-R298 HydrophobicContact CD2-CG 4.2Å; Y292-R298 HydrophobicContact CE1-CG 4.27Å; Y292-R298 HydrophobicContact CE2-CG 3.75Å; Y292-R298 WeakPolarHBondContact O-CB 3.3Å; Y292-I301 HydrophobicContact CD2-CB 4.08Å; Y292-I301 HydrophobicContact CD2-CD1 3.97Å; Y292-I301 HydrophobicContact CD2-CG2 3.75Å; Y292-I301 HydrophobicContact CE2-CB 4.38Å; Y292-I301 HydrophobicContact CE2-CG2 3.98Å; Y292-M302 HydrophobicContact CE2-CG 4.16Å; Y292-L337 HydrophobicContact CD1-CD1 3.9Å; Y292-L337 HydrophobicContact CG-CD1 4.07Å; Y292-V340 HydrophobicContact CD1-CG1 4.39Å; Y292-V340 HydrophobicContact CE1-CB 4.43Å; Y292-V340 HydrophobicContact CE1-CG1 3.65Å; Y292-I341 HydrophobicContact CD2-CG1 3.95Å; Y292-I341 HydrophobicContact CE2-CB 4.22Å; Y292-I341 HydrophobicContact CE2-CG1 3.58Å; Y292-I341 HydrophobicContact CE2-CG2 4.13Å; Y292-I341 WeakPolarHBondContact OH-CA 3.33Å; Y292-D344 WeakPolarHBondContact OH-CB 3.3Å; Y292-D344 PolarHBondContact OH-OD2 3.29Å; Y292-F461 HydrophobicContact CD1-CE2 4.45Å; Y292-F461 HydrophobicContact CE1-CE2 4.15Å; Y292-F461 HydrophobicContact CE1-CZ 4.09Å
293T85.6Confident83.7Confident92 Ų9254.9 Ų54.956%0.56429%0.287SS*.Hα-helixtrans-72.5-17.7174.755.20000112.7I289 L290 Y291 P295I289-T293 HydrophobicContact CG2-CG2 4.24Å; I289-T293 WeakPolarHBondContact O-CG2 3.37Å; I289-T293 PolarHBondContact O-N 2.81Å; I289-T293 PolarHBondContact O-OG1 3.46Å; L290-T293 PolarHBondContact O-OG1 3.42Å; Y291-T293 VanDerWaalsContact C-N 3.35Å; Y291-T293 PolarHBondContact O-N 3.44Å; T293-P295 WeakPolarHBondContact O-CD 3.31Å
294S85.8Confident84.3Confident35 Ų3554.1 Ų54.125%0.24528%0.284CS..SBendtrans-79.3121.8173.1179.90000110.5L290 Y291 Y292 V296 Y297 R298L290-S294 PolarHBondContact O-N 2.79Å; Y291-S294 WeakPolarHBondContact O-CB 3.08Å; Y291-S294 PolarHBondContact O-N 2.92Å; Y291-S294 VanDerWaalsContact O-N 3.17Å; Y292-S294 PolarHBondContact O-N 2.7Å; S294-V296 PolarHBondContact O-N 3.16Å; S294-V296 VanDerWaalsContact O-N 3.11Å; S294-Y297 PolarHBondContact O-N 2.85Å; S294-R298 VanDerWaalsContact O-CB 3.31Å; S294-R298 WeakPolarHBondContact O-CB 3.43Å; S294-R298 PolarHBondContact O-N 3.4Å
295P82.2Confident85.1Confident99 Ų9951 Ų5164%0.64327%0.269SS*.Hα-helixtrans-55.9-32.7-180-27.535.3000114.1T293T293-P295 WeakPolarHBondContact O-CD 3.31Å
296V79.9Confident86Confident104 Ų10450.9 Ų50.963%0.6327%0.269SS*.Hα-helixtrans-64.5-54.1179.3-178.60000110.4S294S294-V296 PolarHBondContact O-N 3.16Å; S294-V296 VanDerWaalsContact O-N 3.11Å
297Y85.6Confident86.4Confident65 Ų6549.6 Ų49.626%0.25526%0.261SS..Hα-helixtrans-79.3-23-177.4-62.4-74.8000112.9L262 Y291 S294 N299 D300 I301L262-Y297 HydrophobicContact CD2-CD1 3.76Å; L262-Y297 HydrophobicContact CD2-CE1 4.33Å; L262-Y297 HydrophobicContact CD2-CG 4.4Å; Y291-Y297 AromaticContact CD1-CD1 3.98Å; Y291-Y297 HydrophobicContact CD1-CD1 3.98Å; Y291-Y297 AromaticContact CD1-CD2 3.61Å; Y291-Y297 HydrophobicContact CD1-CD2 3.61Å; Y291-Y297 HydrophobicContact CD1-CE1 4.18Å; Y291-Y297 AromaticContact CD1-CE2 3.84Å; Y291-Y297 HydrophobicContact CD1-CE2 3.84Å; Y291-Y297 AromaticContact CD1-CG 3.68Å; Y291-Y297 HydrophobicContact CD1-CG 3.68Å; Y291-Y297 HydrophobicContact CE1-CD1 4.37Å; Y291-Y297 HydrophobicContact CE1-CD2 4.22Å; Y291-Y297 HydrophobicContact CE1-CE1 4.12Å; Y291-Y297 AromaticContact CE1-CE2 3.96Å; Y291-Y297 HydrophobicContact CE1-CE2 3.96Å; Y291-Y297 HydrophobicContact CE1-CG 4.41Å; Y291-Y297 AromaticContact CE1-CZ 3.9Å; Y291-Y297 VanDerWaalsContact O-CB 3.3Å; Y291-Y297 WeakPolarHBondContact O-CB 3.21Å; S294-Y297 PolarHBondContact O-N 2.85Å; Y297-N299 PolarHBondContact O-N 3.05Å; Y297-D300 PolarHBondContact O-N 2.83Å; Y297-I301 WeakPolarHBondContact O-CB 3.44Å; Y297-I301 VanDerWaalsContact O-CG1 3.25Å; Y297-I301 WeakPolarHBondContact O-CG1 3.42Å; Y297-I301 PolarHBondContact O-N 3.27Å
298R88.5Confident86.9Confident61 Ų6150.3 Ų50.323%0.2326%0.264CS..Hα-helixtrans-55-50176.2-174.2177.4178-169.4-0111.4Y292 S294 D300 I301 M302 D344Y292-R298 HydrophobicContact CD2-CG 4.2Å; Y292-R298 HydrophobicContact CE1-CG 4.27Å; Y292-R298 HydrophobicContact CE2-CG 3.75Å; Y292-R298 WeakPolarHBondContact O-CB 3.3Å; S294-R298 VanDerWaalsContact O-CB 3.31Å; S294-R298 WeakPolarHBondContact O-CB 3.43Å; S294-R298 PolarHBondContact O-N 3.4Å; R298-D300 PolarHBondContact O-N 3.48Å; R298-I301 PolarHBondContact O-N 2.88Å; R298-M302 HydrophobicContact CG-SD 4.07Å; R298-M302 VanDerWaalsContact O-CG 3.26Å; R298-M302 WeakPolarHBondContact O-CG 3.3Å; R298-M302 PolarHBondContact O-N 3.05Å; R298-D344 IonicContact CZ-OD2 3.27Å; R298-D344 VanDerWaalsContact CZ-OD2 3.27Å; R298-D344 IonicContact NE-OD2 3.08Å; R298-D344 PolarHBondContact NE-OD2 3.03Å; R298-D344 VanDerWaalsContact NE-OD2 3.08Å; R298-D344 IonicContact NH2-OD1 3.3Å; R298-D344 PolarHBondContact NH2-OD1 3.21Å; R298-D344 IonicContact NH2-OD2 2.67Å; R298-D344 PolarHBondContact NH2-OD2 3.21Å
299N87Confident87.2Confident90 Ų9050.5 Ų50.548%0.48127%0.265SS..Hα-helixtrans-62.5-43179.2-75.4-26.2000112Y297 I301 M302 Q303Y297-N299 PolarHBondContact O-N 3.05Å; N299-I301 PolarHBondContact O-N 2.81Å; N299-M302 PolarHBondContact O-N 2.85Å; N299-Q303 WeakPolarHBondContact O-CB 3.44Å; N299-Q303 VanDerWaalsContact O-CG 3.31Å; N299-Q303 WeakPolarHBondContact O-CG 3.42Å; N299-Q303 PolarHBondContact O-N 3.15Å
300D87.4Confident87.4Confident74 Ų7448.5 Ų48.540%0.39626%0.256SS..Hα-helixtrans-62.8-41.8176.9-69.8-19000111.9L260 Y297 R298 Q303 S304L260-D300 HydrophobicContact CD2-CB 4.35Å; Y297-D300 PolarHBondContact O-N 2.83Å; R298-D300 PolarHBondContact O-N 3.48Å; D300-Q303 PolarHBondContact O-N 2.97Å; D300-S304 VanDerWaalsContact O-CB 3.31Å; D300-S304 WeakPolarHBondContact O-CB 3.29Å; D300-S304 PolarHBondContact O-N 3.36Å
301I89.9Confident87.7Confident0 Ų045.2 Ų45.20%024%0.236CC..Hα-helixtrans-63.3-46.6176.6-70.6165.3000110.6W256 L260 Y292 Y297 R298 N299 S304 L305 I341W256-I301 HydrophobicContact CE3-CG2 3.86Å; W256-I301 HydrophobicContact CH2-CG2 4.14Å; W256-I301 HydrophobicContact CZ3-CB 4.42Å; W256-I301 HydrophobicContact CZ3-CG1 4.13Å; W256-I301 HydrophobicContact CZ3-CG2 3.57Å; L260-I301 HydrophobicContact CD1-CB 4.37Å; L260-I301 HydrophobicContact CD1-CG1 3.71Å; Y292-I301 HydrophobicContact CD2-CB 4.08Å; Y292-I301 HydrophobicContact CD2-CD1 3.97Å; Y292-I301 HydrophobicContact CD2-CG2 3.75Å; Y292-I301 HydrophobicContact CE2-CB 4.38Å; Y292-I301 HydrophobicContact CE2-CG2 3.98Å; Y297-I301 WeakPolarHBondContact O-CB 3.44Å; Y297-I301 VanDerWaalsContact O-CG1 3.25Å; Y297-I301 WeakPolarHBondContact O-CG1 3.42Å; Y297-I301 PolarHBondContact O-N 3.27Å; R298-I301 PolarHBondContact O-N 2.88Å; N299-I301 PolarHBondContact O-N 2.81Å; I301-S304 PolarHBondContact O-N 3.46Å; I301-L305 PolarHBondContact O-N 3.43Å; I301-I341 HydrophobicContact CG2-CD1 3.7Å; I301-I341 HydrophobicContact CG2-CG1 4.18Å; I301-I341 HydrophobicContact CG2-CG2 4.14Å
302M89.3Confident88Confident6 Ų644.1 Ų44.13%0.0323%0.231CC..Hα-helixtrans-61-45.2177.3-70.9174.863.500111.8Y292 R298 N299 S304 L305 S306 I341 D344 I345 N348Y292-M302 HydrophobicContact CE2-CG 4.16Å; R298-M302 HydrophobicContact CG-SD 4.07Å; R298-M302 VanDerWaalsContact O-CG 3.26Å; R298-M302 WeakPolarHBondContact O-CG 3.3Å; R298-M302 PolarHBondContact O-N 3.05Å; N299-M302 PolarHBondContact O-N 2.85Å; M302-S304 VanDerWaalsContact C-N 3.34Å; M302-S304 PolarHBondContact O-N 3.06Å; M302-L305 PolarHBondContact O-N 2.83Å; M302-S306 VanDerWaalsContact O-CB 3.27Å; M302-S306 WeakPolarHBondContact O-CB 3.32Å; M302-S306 PolarHBondContact O-N 2.97Å; M302-I341 HydrophobicContact CG-CG2 4.18Å; M302-D344 VanDerWaalsContact CE-C 3.45Å; M302-D344 HydrophobicContact CE-CB 3.57Å; M302-D344 WeakPolarHBondContact CE-O 3.33Å; M302-D344 HydrophobicContact SD-CB 3.81Å; M302-I345 HydrophobicContact CB-CG1 4.17Å; M302-I345 HydrophobicContact CE-CG1 4.24Å; M302-I345 HydrophobicContact CG-CG1 4.39Å; M302-N348 VanDerWaalsContact CE-ND2 3.29Å; M302-N348 WeakPolarHBondContact CE-ND2 3.24Å
303Q87.7Confident88.3Confident108 Ų10845.2 Ų45.251%0.50524%0.236SC..Hα-helixtrans-63.1-40.6176-73.9178.629.200111.7N299 D300 S306 Y307 W442N299-Q303 WeakPolarHBondContact O-CB 3.44Å; N299-Q303 VanDerWaalsContact O-CG 3.31Å; N299-Q303 WeakPolarHBondContact O-CG 3.42Å; N299-Q303 PolarHBondContact O-N 3.15Å; D300-Q303 PolarHBondContact O-N 2.97Å; Q303-S306 PolarHBondContact O-N 2.95Å; Q303-Y307 WeakPolarHBondContact O-CB 3.31Å; Q303-Y307 PolarHBondContact O-N 2.74Å; Q303-W442 HydrophobicContact CG-CZ2 4.36Å
304S89Confident88.5Confident11 Ų1144.6 Ų44.68%0.07723%0.229CC..Hα-helixtrans-64.4-45178.4-169.30000112.3W256 S259 D300 I301 M302 E308W256-S304 PolarHBondContact O-OG 3.31Å; S259-S304 PolarHBondContact OG-OG 3.2Å; D300-S304 VanDerWaalsContact O-CB 3.31Å; D300-S304 WeakPolarHBondContact O-CB 3.29Å; D300-S304 PolarHBondContact O-N 3.36Å; I301-S304 PolarHBondContact O-N 3.46Å; M302-S304 VanDerWaalsContact C-N 3.34Å; M302-S304 PolarHBondContact O-N 3.06Å; S304-E308 WeakPolarHBondContact O-CB 3.2Å; S304-E308 PolarHBondContact O-N 3.4Å
305L91.4Very high88.8Confident0 Ų044.9 Ų44.90%023%0.228CC..Hα-helixtrans-65-45.2175.7175.559.2000111.5V210 V254 W256 I301 M302 Y307 E308 L309 I341 I345V210-L305 HydrophobicContact CG1-CD1 3.88Å; V210-L305 HydrophobicContact CG1-CD2 3.83Å; V210-L305 HydrophobicContact CG2-CD1 4.01Å; V254-L305 HydrophobicContact CG1-CD1 3.5Å; V254-L305 VanDerWaalsContact CG1-CD1 3.5Å; W256-L305 HydrophobicContact CB-CB 3.73Å; W256-L305 HydrophobicContact CB-CD1 3.75Å; W256-L305 HydrophobicContact CB-CG 4.33Å; W256-L305 HydrophobicContact CG-CB 4.18Å; W256-L305 HydrophobicContact CG-CD1 4.05Å; I301-L305 PolarHBondContact O-N 3.43Å; M302-L305 PolarHBondContact O-N 2.83Å; L305-Y307 PolarHBondContact O-N 3.23Å; L305-E308 PolarHBondContact O-N 3.41Å; L305-L309 HydrophobicContact CD1-CD1 3.96Å; L305-L309 HydrophobicContact CD1-CG 4.02Å; L305-L309 HydrophobicContact CG-CD1 3.98Å; L305-L309 HydrophobicContact CG-CG 4.48Å; L305-L309 WeakPolarHBondContact O-CB 3.24Å; L305-L309 WeakPolarHBondContact O-CG 3.31Å; L305-L309 PolarHBondContact O-N 3Å; L305-I341 HydrophobicContact CB-CG2 4.15Å; L305-I341 HydrophobicContact CD2-CB 3.82Å; L305-I341 HydrophobicContact CD2-CG2 3.46Å; L305-I341 VanDerWaalsContact CD2-CG2 3.46Å; L305-I341 HydrophobicContact CG-CG2 4.41Å; L305-I345 HydrophobicContact CB-CD1 3.88Å; L305-I345 HydrophobicContact CD2-CD1 3.68Å; L305-I345 HydrophobicContact CG-CD1 3.73Å
306S89.7Confident89.3Confident8 Ų840.1 Ų40.16%0.05620%0.197CC..Hα-helixtrans-60.3-45177.21790000112.3M302 Q303 L309 T310 W442M302-S306 VanDerWaalsContact O-CB 3.27Å; M302-S306 WeakPolarHBondContact O-CB 3.32Å; M302-S306 PolarHBondContact O-N 2.97Å; Q303-S306 PolarHBondContact O-N 2.95Å; S306-L309 PolarHBondContact O-N 3.31Å; S306-T310 WeakPolarHBondContact O-CB 3.27Å; S306-T310 PolarHBondContact O-N 3.18Å; S306-T310 PolarHBondContact O-OG1 3.07Å; S306-W442 VanDerWaalsContact CB-CH2 3.44Å; S306-W442 WeakPolarHBondContact OG-CH2 3.37Å; S306-W442 WeakPolarHBondContact OG-CZ3 3.29Å
307Y89Confident89.8Confident77 Ų7736.4 Ų36.430%0.30218%0.175SC..Hα-helixtrans-60.6-48.2175.6176-94.9000111.2Q303 L305 T310 R311Q303-Y307 WeakPolarHBondContact O-CB 3.31Å; Q303-Y307 PolarHBondContact O-N 2.74Å; L305-Y307 PolarHBondContact O-N 3.23Å; Y307-T310 PolarHBondContact O-N 3.33Å; Y307-R311 HydrophobicContact CE1-CB 4.48Å; Y307-R311 VanDerWaalsContact O-CB 3.26Å; Y307-R311 WeakPolarHBondContact O-CB 3.27Å; Y307-R311 PolarHBondContact O-N 3.2Å
308E90Very high90.1Very high21 Ų2139.5 Ų39.510%0.09820%0.196CC..Hα-helixtrans-66.8-39.9-177.8-17663-179.800112V254 S304 L305 R311 L312V254-E308 HydrophobicContact CG1-CB 4.22Å; V254-E308 HydrophobicContact CG1-CG 3.8Å; S304-E308 WeakPolarHBondContact O-CB 3.2Å; S304-E308 PolarHBondContact O-N 3.4Å; L305-E308 PolarHBondContact O-N 3.41Å; E308-R311 PolarHBondContact O-N 2.92Å; E308-R311 IonicContact OE1-CZ 3.65Å; E308-R311 IonicContact OE1-NE 3.08Å; E308-R311 IonicContact OE1-NH2 3.74Å; E308-R311 PolarHBondContact OE1-NH2 3.42Å; E308-R311 IonicContact OE2-CZ 3.59Å; E308-R311 IonicContact OE2-NE 2.78Å; E308-R311 PolarHBondContact OE2-NE 3.4Å; E308-R311 IonicContact OE2-NH2 2.76Å; E308-R311 PolarHBondContact OE2-NH2 3.49Å; E308-L312 HydrophobicContact CG-CD1 3.96Å; E308-L312 HydrophobicContact CG-CG 4.43Å; E308-L312 WeakPolarHBondContact O-CB 3.47Å; E308-L312 WeakPolarHBondContact O-CG 3.39Å; E308-L312 PolarHBondContact O-N 3Å
309L91.8Very high90.1Very high4 Ų439.7 Ų39.72%0.02120%0.198CC..Hα-helixtrans-59.2-50172-78.2169.2000111.3F208 V210 V254 L305 S306 R311 L312 F313 M342F208-L309 HydrophobicContact CB-CD2 3.75Å; F208-L309 HydrophobicContact CD1-CD2 4.38Å; F208-L309 HydrophobicContact CD2-CD2 4.46Å; F208-L309 HydrophobicContact CG-CD2 3.95Å; V210-L309 HydrophobicContact CG2-CD2 4.46Å; V254-L309 HydrophobicContact CG1-CD2 4.16Å; V254-L309 HydrophobicContact CG1-CG 4.16Å; V254-L309 HydrophobicContact CG2-CD2 3.71Å; L305-L309 HydrophobicContact CD1-CD1 3.96Å; L305-L309 HydrophobicContact CD1-CG 4.02Å; L305-L309 HydrophobicContact CG-CD1 3.98Å; L305-L309 HydrophobicContact CG-CG 4.48Å; L305-L309 WeakPolarHBondContact O-CB 3.24Å; L305-L309 WeakPolarHBondContact O-CG 3.31Å; L305-L309 PolarHBondContact O-N 3Å; S306-L309 PolarHBondContact O-N 3.31Å; L309-R311 PolarHBondContact O-N 3.46Å; L309-L312 PolarHBondContact O-N 2.81Å; L309-F313 VanDerWaalsContact O-CB 3.28Å; L309-F313 WeakPolarHBondContact O-CB 3.45Å; L309-F313 PolarHBondContact O-N 3Å; L309-M342 HydrophobicContact CD1-CE 4.34Å; L309-M342 HydrophobicContact CD1-SD 3.91Å
310T89.6Confident90.3Very high24 Ų2436.2 Ų36.215%0.14718%0.179CC..Hα-helixtrans-61.7-43.5179.1-60.20000111.5S306 Y307 F313 N314S306-T310 WeakPolarHBondContact O-CB 3.27Å; S306-T310 PolarHBondContact O-N 3.18Å; S306-T310 PolarHBondContact O-OG1 3.07Å; Y307-T310 PolarHBondContact O-N 3.33Å; T310-F313 PolarHBondContact O-N 3.45Å; T310-N314 WeakPolarHBondContact O-CB 3.36Å; T310-N314 PolarHBondContact O-N 3.24Å; T310-N314 PolarHBondContact O-ND2 2.99Å
311R90.4Very high90.5Very high45 Ų4537.2 Ų37.217%0.1719%0.19CC..Hα-helixtrans-61.4-48.1177.6-171.7-166.269.572.5-0.9111.1Y307 E308 L309 L315Y307-R311 HydrophobicContact CE1-CB 4.48Å; Y307-R311 VanDerWaalsContact O-CB 3.26Å; Y307-R311 WeakPolarHBondContact O-CB 3.27Å; Y307-R311 PolarHBondContact O-N 3.2Å; E308-R311 PolarHBondContact O-N 2.92Å; E308-R311 IonicContact OE1-CZ 3.65Å; E308-R311 IonicContact OE1-NE 3.08Å; E308-R311 IonicContact OE1-NH2 3.74Å; E308-R311 PolarHBondContact OE1-NH2 3.42Å; E308-R311 IonicContact OE2-CZ 3.59Å; E308-R311 IonicContact OE2-NE 2.78Å; E308-R311 PolarHBondContact OE2-NE 3.4Å; E308-R311 IonicContact OE2-NH2 2.76Å; E308-R311 PolarHBondContact OE2-NH2 3.49Å; L309-R311 PolarHBondContact O-N 3.46Å; R311-L315 WeakPolarHBondContact O-CB 3.39Å; R311-L315 PolarHBondContact O-N 2.84Å
312L92.2Very high90.5Very high0 Ų042.2 Ų42.20%021%0.213CC..Hα-helixtrans-66-41.2179.6-72.4170.7000111.8Y79 F208 I252 V254 E308 L309 L315 F316Y79-L312 WeakPolarHBondContact O-CD2 3.17Å; F208-L312 HydrophobicContact CD1-CB 4.35Å; F208-L312 HydrophobicContact CE1-CB 3.74Å; I252-L312 HydrophobicContact CG2-CD1 4.11Å; I252-L312 HydrophobicContact CG2-CD2 4.07Å; I252-L312 HydrophobicContact CG2-CG 4.49Å; V254-L312 HydrophobicContact CB-CD1 4.32Å; V254-L312 HydrophobicContact CG1-CD1 4.32Å; V254-L312 HydrophobicContact CG2-CD1 3.99Å; E308-L312 HydrophobicContact CG-CD1 3.96Å; E308-L312 HydrophobicContact CG-CG 4.43Å; E308-L312 WeakPolarHBondContact O-CB 3.47Å; E308-L312 WeakPolarHBondContact O-CG 3.39Å; E308-L312 PolarHBondContact O-N 3Å; L309-L312 PolarHBondContact O-N 2.81Å; L312-L315 PolarHBondContact O-N 3.15Å; L312-F316 VanDerWaalsContact O-CB 3.29Å; L312-F316 WeakPolarHBondContact O-CB 3.4Å; L312-F316 PolarHBondContact O-N 2.88Å
313F91.8Very high90.6Very high26 Ų2642.3 Ų42.311%0.11421%0.214CC..Hα-helixtrans-62.4-49176175.3-110.8000112.1F208 L309 T310 L315 F316 C317 L324 I330 P446F208-F313 HydrophobicContact CE2-CB 4.43Å; F208-F313 HydrophobicContact CE2-CD2 4.42Å; F208-F313 HydrophobicContact CZ-CB 4.07Å; F208-F313 HydrophobicContact CZ-CD2 4.44Å; L309-F313 VanDerWaalsContact O-CB 3.28Å; L309-F313 WeakPolarHBondContact O-CB 3.45Å; L309-F313 PolarHBondContact O-N 3Å; T310-F313 PolarHBondContact O-N 3.45Å; F313-L315 VanDerWaalsContact C-N 3.32Å; F313-L315 PolarHBondContact O-N 2.97Å; F313-F316 WeakPolarHBondContact O-CB 3.31Å; F313-F316 PolarHBondContact O-N 3.48Å; F313-F316 VanDerWaalsContact O-N 3.15Å; F313-C317 WeakPolarHBondContact CE2-SG 3.5Å; F313-C317 WeakPolarHBondContact CZ-SG 3.22Å; F313-C317 PolarHBondContact O-N 2.9Å; F313-L324 HydrophobicContact CE2-CD2 4.41Å; F313-L324 HydrophobicContact CZ-CD1 4.11Å; F313-L324 HydrophobicContact CZ-CD2 4.18Å; F313-I330 HydrophobicContact CD2-CD1 3.86Å; F313-I330 HydrophobicContact CE2-CD1 3.25Å; F313-I330 HydrophobicContact CE2-CG1 4.24Å; F313-I330 HydrophobicContact CZ-CD1 3.89Å; F313-P446 HydrophobicContact CD1-CG 4.11Å; F313-P446 HydrophobicContact CD2-CG 4.2Å; F313-P446 HydrophobicContact CE1-CG 3.73Å; F313-P446 HydrophobicContact CE2-CG 3.86Å; F313-P446 HydrophobicContact CG-CG 4.32Å; F313-P446 HydrophobicContact CZ-CB 4.25Å; F313-P446 HydrophobicContact CZ-CG 3.59Å
314N91.3Very high90.6Very high78 Ų7841.6 Ų41.642%0.41721%0.213SC..Hα-helixtrans-61.6-41.7177.5-69.6-24.6000111.7T310 F316 C317 L318T310-N314 WeakPolarHBondContact O-CB 3.36Å; T310-N314 PolarHBondContact O-N 3.24Å; T310-N314 PolarHBondContact O-ND2 2.99Å; N314-F316 VanDerWaalsContact C-N 3.33Å; N314-F316 PolarHBondContact O-N 3.07Å; N314-C317 PolarHBondContact O-N 2.9Å; N314-L318 WeakPolarHBondContact O-CB 3.42Å; N314-L318 PolarHBondContact O-N 3.39Å
315L91.2Very high90.5Very high41 Ų4147.7 Ų47.722%0.21524%0.24CC..Hα-helixtrans-63-40.2175.3179.659.3000111.8I78 Y79 R311 L312 F313 L318 K319I78-L315 HydrophobicContact CG2-CD2 4.27Å; I78-L315 HydrophobicContact CG2-CG 4.33Å; Y79-L315 HydrophobicContact CD1-CD2 4Å; Y79-L315 HydrophobicContact CD1-CG 4.11Å; Y79-L315 HydrophobicContact CE1-CD2 4.49Å; Y79-L315 HydrophobicContact CE1-CG 4.13Å; R311-L315 WeakPolarHBondContact O-CB 3.39Å; R311-L315 PolarHBondContact O-N 2.84Å; L312-L315 PolarHBondContact O-N 3.15Å; F313-L315 VanDerWaalsContact C-N 3.32Å; F313-L315 PolarHBondContact O-N 2.97Å; L315-L318 PolarHBondContact O-N 2.83Å; L315-K319 PolarHBondContact O-N 3.04Å; L315-K319 VanDerWaalsContact O-N 3.07Å
316F92.5Very high90.4Very high0 Ų054.2 Ų54.20%027%0.268CS..Hα-helixtrans-63.4-47.1176.1176.4-98.8000111.9Y79 I203 V206 I252 L312 F313 N314 L318 K319 N320 F323Y79-F316 HydrophobicContact CE1-CB 3.97Å; Y79-F316 HydrophobicContact CE1-CD2 4.22Å; Y79-F316 AromaticContact CZ-CD2 3.94Å; I203-F316 HydrophobicContact CB-CZ 4.2Å; I203-F316 HydrophobicContact CD1-CE2 3.79Å; I203-F316 HydrophobicContact CD1-CZ 4.32Å; I203-F316 HydrophobicContact CG2-CE2 4.21Å; I203-F316 HydrophobicContact CG2-CZ 3.82Å; V206-F316 HydrophobicContact CB-CE1 4.17Å; V206-F316 HydrophobicContact CB-CE2 4.44Å; V206-F316 HydrophobicContact CB-CZ 4.03Å; V206-F316 HydrophobicContact CG1-CD1 4.42Å; V206-F316 HydrophobicContact CG1-CE1 4.06Å; V206-F316 HydrophobicContact CG1-CZ 4.43Å; V206-F316 HydrophobicContact CG2-CD2 4.42Å; V206-F316 HydrophobicContact CG2-CE2 4.23Å; V206-F316 HydrophobicContact CG2-CZ 4.3Å; I252-F316 HydrophobicContact CD1-CB 4.36Å; I252-F316 HydrophobicContact CD1-CD2 3.83Å; I252-F316 HydrophobicContact CD1-CG 4.31Å; L312-F316 VanDerWaalsContact O-CB 3.29Å; L312-F316 WeakPolarHBondContact O-CB 3.4Å; L312-F316 PolarHBondContact O-N 2.88Å; F313-F316 WeakPolarHBondContact O-CB 3.31Å; F313-F316 PolarHBondContact O-N 3.48Å; F313-F316 VanDerWaalsContact O-N 3.15Å; N314-F316 VanDerWaalsContact C-N 3.33Å; N314-F316 PolarHBondContact O-N 3.07Å; F316-L318 VanDerWaalsContact C-N 3.32Å; F316-L318 PolarHBondContact O-N 2.77Å; F316-K319 PolarHBondContact O-N 2.98Å; F316-N320 WeakPolarHBondContact CD2-ND2 3.26Å; F316-N320 WeakPolarHBondContact CE2-ND2 3.29Å; F316-N320 HydrophobicContact CZ-CB 4.37Å; F316-N320 WeakPolarHBondContact O-CB 3.46Å; F316-N320 PolarHBondContact O-N 2.76Å; F316-N320 PolarHBondContact O-ND2 2.63Å; F316-F323 HydrophobicContact CD1-CD1 4.36Å; F316-F323 HydrophobicContact CD1-CG 4.49Å; F316-F323 HydrophobicContact CE1-CB 4.15Å; F316-F323 AromaticContact CE1-CD1 3.62Å; F316-F323 HydrophobicContact CE1-CD1 3.62Å; F316-F323 AromaticContact CE1-CD2 3.57Å; F316-F323 HydrophobicContact CE1-CD2 3.57Å; F316-F323 AromaticContact CE1-CE1 3.8Å; F316-F323 HydrophobicContact CE1-CE1 3.8Å; F316-F323 AromaticContact CE1-CE2 3.76Å; F316-F323 HydrophobicContact CE1-CE2 3.76Å; F316-F323 AromaticContact CE1-CG 3.49Å; F316-F323 HydrophobicContact CE1-CG 3.49Å; F316-F323 VanDerWaalsContact CE1-CG 3.49Å; F316-F323 AromaticContact CE1-CZ 3.86Å; F316-F323 HydrophobicContact CE1-CZ 3.86Å; F316-F323 AromaticContact CZ-CD2 3.75Å; F316-F323 HydrophobicContact CZ-CD2 3.75Å; F316-F323 AromaticContact CZ-CE2 3.88Å; F316-F323 HydrophobicContact CZ-CE2 3.88Å; F316-F323 HydrophobicContact CZ-CG 4.11Å; F316-F323 HydrophobicContact CZ-CZ 4.36Å
317C91.6Very high90.2Very high25 Ų2556.2 Ų56.217%0.16929%0.291CS..Hα-helixtrans-64.3-35.9175.6-71.80000112.6F313 N314 K319 N320 P321F313-C317 WeakPolarHBondContact CE2-SG 3.5Å; F313-C317 WeakPolarHBondContact CZ-SG 3.22Å; F313-C317 PolarHBondContact O-N 2.9Å; N314-C317 PolarHBondContact O-N 2.9Å; C317-K319 VanDerWaalsContact C-N 3.32Å; C317-K319 PolarHBondContact O-N 3.23Å; C317-N320 CarbonylContact O-C 3.3Å; C317-N320 PolarHBondContact O-N 2.97Å; C317-P321 VanDerWaalsContact O-CA 3.29Å; C317-P321 WeakPolarHBondContact O-CA 3.48Å; C317-P321 VanDerWaalsContact O-N 3.12Å
318L90.8Very high90.3Very high130 Ų13053.2 Ų53.268%0.68128%0.283SS*.Hα-helixtrans-63.9-37.8175.1-178.7138.9000112N314 L315 F316N314-L318 WeakPolarHBondContact O-CB 3.42Å; N314-L318 PolarHBondContact O-N 3.39Å; L315-L318 PolarHBondContact O-N 2.83Å; F316-L318 VanDerWaalsContact C-N 3.32Å; F316-L318 PolarHBondContact O-N 2.77Å
319K89.7Confident90.4Very high66 Ų6655.2 Ų55.229%0.28729%0.292SS..Hα-helixtrans-80.6-22.1175.4-67.7-70.3-168.21720113T60 E67 I78 L315 F316 C317T60-K319 HydrophobicContact CG2-CD 4.4Å; E67-K319 IonicContact OE2-NZ 3.56Å; E67-K319 PolarHBondContact OE2-NZ 2.73Å; I78-K319 HydrophobicContact CD1-CD 4.49Å; I78-K319 HydrophobicContact CG2-CG 4.08Å; L315-K319 PolarHBondContact O-N 3.04Å; L315-K319 VanDerWaalsContact O-N 3.07Å; F316-K319 PolarHBondContact O-N 2.98Å; C317-K319 VanDerWaalsContact C-N 3.32Å; C317-K319 PolarHBondContact O-N 3.23Å
320N90.9Very high90.6Very high16 Ų1655.3 Ų55.39%0.08629%0.293CS..  trans-13067.6-177.4-57.9-83.8000110.9E64 Y79 F316 C317 Q322 F323E64-N320 PolarHBondContact OE2-OD1 2.79Å; E64-N320 VanDerWaalsContact OE2-OD1 3.12Å; Y79-N320 PolarHBondContact OH-ND2 2.82Å; F316-N320 WeakPolarHBondContact CD2-ND2 3.26Å; F316-N320 WeakPolarHBondContact CE2-ND2 3.29Å; F316-N320 HydrophobicContact CZ-CB 4.37Å; F316-N320 WeakPolarHBondContact O-CB 3.46Å; F316-N320 PolarHBondContact O-N 2.76Å; F316-N320 PolarHBondContact O-ND2 2.63Å; C317-N320 CarbonylContact O-C 3.3Å; C317-N320 PolarHBondContact O-N 2.97Å; N320-Q322 PolarHBondContact O-N 2.9Å; N320-Q322 VanDerWaalsContact O-N 3.14Å; N320-F323 HydrophobicContact CB-CB 4.06Å; N320-F323 WeakPolarHBondContact O-CB 3.07Å; N320-F323 PolarHBondContact O-N 3.29Å
321P90.3Very high90.9Very high95 Ų9554.2 Ų54.262%0.61729%0.286SS*.THydrogen-bonded Turntrans-62-28.1-170.422.5-33.9000113.8C317 F323C317-P321 VanDerWaalsContact O-CA 3.29Å; C317-P321 WeakPolarHBondContact O-CA 3.48Å; C317-P321 VanDerWaalsContact O-N 3.12Å; P321-F323 VanDerWaalsContact C-N 3.33Å
322Q90.1Very high91.2Very high105 Ų10552.1 Ų52.149%0.49128%0.279SS..THydrogen-bonded Turntrans-84.1-4.2179.5-62.2178.73.700113.7N320 L324 Q325 K326N320-Q322 PolarHBondContact O-N 2.9Å; N320-Q322 VanDerWaalsContact O-N 3.14Å; Q322-L324 PolarHBondContact O-N 2.74Å; Q322-Q325 PolarHBondContact O-N 3.48Å; Q322-K326 HydrophobicContact CB-CD 4.17Å; Q322-K326 WeakPolarHBondContact O-CB 3.45Å; Q322-K326 WeakPolarHBondContact O-CG 3.31Å; Q322-K326 PolarHBondContact O-N 2.93Å; Q322-K326 VanDerWaalsContact OE1-CE 3.27Å
323F91.6Very high91.4Very high9 Ų952.2 Ų52.24%0.03928%0.279CS..THydrogen-bonded Turntrans-57.4-53.8-172.8175.6-101.5000112.5I203 V206 F316 N320 P321 K326 G328 Q329 I330I203-F323 HydrophobicContact CG2-CE2 4.29Å; I203-F323 VanDerWaalsContact O-CD2 3.24Å; I203-F323 WeakPolarHBondContact O-CD2 3.46Å; V206-F323 HydrophobicContact CB-CZ 4.34Å; V206-F323 HydrophobicContact CG1-CE1 4.24Å; V206-F323 HydrophobicContact CG1-CZ 3.8Å; F316-F323 HydrophobicContact CD1-CD1 4.36Å; F316-F323 HydrophobicContact CD1-CG 4.49Å; F316-F323 HydrophobicContact CE1-CB 4.15Å; F316-F323 AromaticContact CE1-CD1 3.62Å; F316-F323 HydrophobicContact CE1-CD1 3.62Å; F316-F323 AromaticContact CE1-CD2 3.57Å; F316-F323 HydrophobicContact CE1-CD2 3.57Å; F316-F323 AromaticContact CE1-CE1 3.8Å; F316-F323 HydrophobicContact CE1-CE1 3.8Å; F316-F323 AromaticContact CE1-CE2 3.76Å; F316-F323 HydrophobicContact CE1-CE2 3.76Å; F316-F323 AromaticContact CE1-CG 3.49Å; F316-F323 HydrophobicContact CE1-CG 3.49Å; F316-F323 VanDerWaalsContact CE1-CG 3.49Å; F316-F323 AromaticContact CE1-CZ 3.86Å; F316-F323 HydrophobicContact CE1-CZ 3.86Å; F316-F323 AromaticContact CZ-CD2 3.75Å; F316-F323 HydrophobicContact CZ-CD2 3.75Å; F316-F323 AromaticContact CZ-CE2 3.88Å; F316-F323 HydrophobicContact CZ-CE2 3.88Å; F316-F323 HydrophobicContact CZ-CG 4.11Å; F316-F323 HydrophobicContact CZ-CZ 4.36Å; N320-F323 HydrophobicContact CB-CB 4.06Å; N320-F323 WeakPolarHBondContact O-CB 3.07Å; N320-F323 PolarHBondContact O-N 3.29Å; P321-F323 VanDerWaalsContact C-N 3.33Å; F323-K326 PolarHBondContact O-N 2.66Å; F323-G328 VanDerWaalsContact CZ-C 3.43Å; F323-G328 VanDerWaalsContact O-CA 3.31Å; F323-G328 WeakPolarHBondContact O-CA 3.31Å; F323-G328 PolarHBondContact O-N 2.63Å; F323-Q329 WeakPolarHBondContact CZ-O 3.33Å; F323-I330 HydrophobicContact CE1-CD1 4.49Å; F323-I330 HydrophobicContact CE1-CG1 3.97Å; F323-I330 HydrophobicContact CZ-CG1 4.39Å
324L88.3Confident91.6Very high93 Ų9351 Ų5149%0.48727%0.273SS..THydrogen-bonded Turntrans-69-38.6-178.8-64175.7000111.8F313 Q322 K326 G327 I330F313-L324 HydrophobicContact CE2-CD2 4.41Å; F313-L324 HydrophobicContact CZ-CD1 4.11Å; F313-L324 HydrophobicContact CZ-CD2 4.18Å; Q322-L324 PolarHBondContact O-N 2.74Å; L324-K326 VanDerWaalsContact C-N 3.26Å; L324-K326 PolarHBondContact O-N 2.98Å; L324-G327 PolarHBondContact O-N 3.5Å; L324-I330 HydrophobicContact CD2-CD1 4.47Å
325Q86.5Confident91.8Very high138 Ų13847.8 Ų47.865%0.64526%0.256SS*.THydrogen-bonded Turntrans-62.4-34.4179.2-65.1175.1700112.1Q322 G327Q322-Q325 PolarHBondContact O-N 3.48Å; Q325-G327 PolarHBondContact O-N 3.29Å
326K88.3Confident91.8Very high137 Ų13746 Ų4660%0.59625%0.247SC*.THydrogen-bonded Turntrans-83.110.6175.8-69.8177.8169.1172.40113.6Q322 F323 L324Q322-K326 HydrophobicContact CB-CD 4.17Å; Q322-K326 WeakPolarHBondContact O-CB 3.45Å; Q322-K326 WeakPolarHBondContact O-CG 3.31Å; Q322-K326 PolarHBondContact O-N 2.93Å; Q322-K326 VanDerWaalsContact OE1-CE 3.27Å; F323-K326 PolarHBondContact O-N 2.66Å; L324-K326 VanDerWaalsContact C-N 3.26Å; L324-K326 PolarHBondContact O-N 2.98Å
327G86.9Confident91.9Very high51 Ų5146.5 Ų46.553%0.52625%0.25SC..THydrogen-bonded Turntrans75.525.5179.700000114L324 Q325 Q329L324-G327 PolarHBondContact O-N 3.5Å; Q325-G327 PolarHBondContact O-N 3.29Å; G327-Q329 PolarHBondContact O-N 3.42Å
328G90.8Very high92Very high14 Ų1445.3 Ų45.314%0.14424%0.242CC..  trans-57134.7179.500000112.4T204 F323T204-G328 VanDerWaalsContact O-CA 3.27Å; T204-G328 WeakPolarHBondContact O-CA 3.33Å; F323-G328 VanDerWaalsContact CZ-C 3.43Å; F323-G328 VanDerWaalsContact O-CA 3.31Å; F323-G328 WeakPolarHBondContact O-CA 3.31Å; F323-G328 PolarHBondContact O-N 2.63Å
329Q92.7Very high92.2Very high62 Ų6239.1 Ų39.129%0.2921%0.209SC..EExtended strand (participates in β ladder)trans-106.6149.5-175.5-57.2-171.517.100112.7T204 H205 V206 F323 G327 A449T204-Q329 PolarHBondContact O-N 2.91Å; H205-Q329 WeakPolarHBondContact CA-O 3.27Å; H205-Q329 VanDerWaalsContact NE2-CD 3.32Å; V206-Q329 PolarHBondContact N-O 3.39Å; F323-Q329 WeakPolarHBondContact CZ-O 3.33Å; G327-Q329 PolarHBondContact O-N 3.42Å; Q329-A449 HydrophobicContact CB-CB 3.91Å; Q329-A449 HydrophobicContact CG-CB 4.44Å
330I94.6Very high92.4Very high7 Ų736.1 Ų36.14%0.03620%0.196CC..EExtended strand (participates in β ladder)trans-119.7128.4-174.4-55.9161.8000108.8V206 F208 F313 F323 L324 P446 L448 A449V206-I330 HydrophobicContact CG1-CB 4.31Å; V206-I330 HydrophobicContact CG1-CG1 3.88Å; V206-I330 HydrophobicContact CG1-CG2 4.22Å; V206-I330 WeakPolarHBondContact O-CA 3.33Å; F208-I330 HydrophobicContact CD2-CG2 3.88Å; F208-I330 HydrophobicContact CE2-CG2 3.74Å; F313-I330 HydrophobicContact CD2-CD1 3.86Å; F313-I330 HydrophobicContact CE2-CD1 3.25Å; F313-I330 HydrophobicContact CE2-CG1 4.24Å; F313-I330 HydrophobicContact CZ-CD1 3.89Å; F323-I330 HydrophobicContact CE1-CD1 4.49Å; F323-I330 HydrophobicContact CE1-CG1 3.97Å; F323-I330 HydrophobicContact CZ-CG1 4.39Å; L324-I330 HydrophobicContact CD2-CD1 4.47Å; I330-P446 HydrophobicContact CD1-CB 3.72Å; I330-P446 HydrophobicContact CD1-CG 3.22Å; I330-L448 HydrophobicContact CG2-CD2 3.92Å; I330-A449 WeakPolarHBondContact O-CB 3.33Å; I330-A449 PolarHBondContact O-N 2.88Å
331S96Very high92.5Very high1 Ų135.3 Ų35.31%0.00719%0.192CC..EExtended strand (participates in β ladder)trans-125.4160.1175-58.90000110.7V206 C207 F208 N450V206-S331 PolarHBondContact O-N 2.98Å; C207-S331 CarbonylContact C-O 3.57Å; C207-S331 VanDerWaalsContact CA-O 3.3Å; C207-S331 WeakPolarHBondContact CA-O 3.28Å; F208-S331 PolarHBondContact N-O 2.94Å; S331-N450 CarbonylContact C-O 3.1Å; S331-N450 WeakPolarHBondContact CA-O 3.21Å; S331-N450 VanDerWaalsContact CB-O 3.31Å; S331-N450 WeakPolarHBondContact CB-O 3.47Å; S331-N450 WeakPolarHBondContact OG-CB 3.41Å; S331-N450 PolarHBondContact OG-ND2 3.25Å
332V96.8Very high92.6Very high1 Ų130.9 Ų30.91%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-123.4132.2171.8174.40000108.7F208 V210 A334 M342 L448 N450 L451 F452F208-V332 HydrophobicContact CB-CG2 4.32Å; F208-V332 CarbonylContact O-C 3.57Å; F208-V332 WeakPolarHBondContact O-CA 3.32Å; V210-V332 HydrophobicContact CG2-CG1 3.83Å; V332-A334 HydrophobicContact CG1-CB 4.26Å; V332-M342 HydrophobicContact CG1-CG 4.26Å; V332-M342 HydrophobicContact CG1-SD 4.09Å; V332-M342 HydrophobicContact CG2-SD 4.44Å; V332-L448 HydrophobicContact CB-CD1 4.29Å; V332-L448 HydrophobicContact CG2-CD1 3.76Å; V332-L448 HydrophobicContact CG2-CD2 3.89Å; V332-L448 HydrophobicContact CG2-CG 4.5Å; V332-N450 PolarHBondContact N-O 2.8Å; V332-L451 HydrophobicContact CB-CD1 3.77Å; V332-L451 HydrophobicContact CG1-CD1 3.81Å; V332-F452 PolarHBondContact O-N 3.48Å
333L97.1Very high92.6Very high1 Ų126.1 Ų26.11%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-106.9102.3168.2178.765.2000107.9F208 V209 V210 I227 F452 I454 W739 M748F208-L333 PolarHBondContact O-N 3.02Å; V209-L333 WeakPolarHBondContact CA-O 3.35Å; V209-L333 HydrophobicContact CG1-CD2 4.4Å; V210-L333 PolarHBondContact N-O 3.11Å; I227-L333 HydrophobicContact CG1-CD2 4.14Å; I227-L333 HydrophobicContact CG2-CD2 4.43Å; L333-F452 HydrophobicContact CD1-CB 3.49Å; L333-F452 VanDerWaalsContact CD1-CB 3.49Å; L333-F452 HydrophobicContact CD1-CG 4.42Å; L333-I454 HydrophobicContact CD1-CB 4.47Å; L333-I454 HydrophobicContact CD1-CD1 3.8Å; L333-I454 HydrophobicContact CD1-CG1 3.79Å; L333-I454 HydrophobicContact CD1-CG2 3.84Å; L333-I454 HydrophobicContact CD2-CD1 4.3Å; L333-I454 HydrophobicContact CG-CD1 4.06Å; L333-I454 HydrophobicContact CG-CG1 4.36Å; L333-W739 HydrophobicContact CD2-CE3 4.29Å; L333-W739 HydrophobicContact CD2-CZ3 3.7Å; L333-W739 HydrophobicContact CG-CZ3 4.21Å; L333-M748 HydrophobicContact CB-CE 4.46Å; L333-M748 HydrophobicContact CD1-CE 4.2Å; L333-M748 HydrophobicContact CD1-SD 4.15Å; L333-M748 HydrophobicContact CD2-CE 4.1Å; L333-M748 HydrophobicContact CD2-SD 4.23Å
334A96.2Very high92.5Very high0 Ų025.9 Ų25.90%014%0.14CC..EExtended strand (participates in β ladder)trans-103.4127.7-178.200000110V210 V332 S339 M342 L451 F452 L453 I454V210-A334 HydrophobicContact CB-CB 4.36Å; V332-A334 HydrophobicContact CG1-CB 4.26Å; A334-S339 PolarHBondContact O-OG 3.41Å; A334-S339 VanDerWaalsContact O-OG 3.05Å; A334-M342 HydrophobicContact CB-CB 4.36Å; A334-L451 HydrophobicContact CB-CD1 4.32Å; A334-F452 PolarHBondContact N-O 3.5Å; A334-L453 HydrophobicContact CB-CD2 4.13Å; A334-I454 WeakPolarHBondContact O-CG1 3.49Å; A334-I454 PolarHBondContact O-N 3.27Å
335H94Very high92.5Very high11 Ų1121.5 Ų21.55%0.05112%0.117CC..EExtended strand (participates in β ladder)trans-111.9137.1-179.1177.3-107.3000111.9V210 G212 L337 G338 I454 H735 W739V210-H335 PolarHBondContact O-N 3.4Å; G212-H335 WeakPolarHBondContact CA-O 3.18Å; G212-H335 PolarHBondContact N-O 3.48Å; G212-H335 VanDerWaalsContact N-O 3.13Å; H335-L337 PolarHBondContact O-N 3.16Å; H335-G338 WeakPolarHBondContact O-CA 3.41Å; H335-G338 PolarHBondContact O-N 3.01Å; H335-I454 WeakPolarHBondContact CA-O 3.38Å; H335-I454 HydrophobicContact CB-CD1 3.9Å; H335-I454 HydrophobicContact CB-CG1 3.8Å; H335-I454 PolarHBondContact CD2-O 2.83Å; H335-H735 AromaticContact CE1-CD2 3.8Å; H335-H735 AromaticContact CE1-NE2 3.51Å; H335-H735 AromaticContact NE2-CD2 3.98Å; H335-H735 AromaticContact NE2-CE1 3.93Å; H335-H735 AromaticContact NE2-NE2 3.76Å; H335-H735 PolarHBondContact NE2-O 2.77Å; H335-W739 HydrophobicContact CB-CH2 3.43Å; H335-W739 VanDerWaalsContact CB-CH2 3.43Å; H335-W739 HydrophobicContact CB-CZ2 3.32Å; H335-W739 AromaticContact CG-CH2 3.99Å; H335-W739 AromaticContact CG-CZ2 3.36Å; H335-W739 AromaticContact ND1-CZ2 3.62Å
336S93.2Very high92.5Very high4 Ų415.1 Ų15.13%0.0289%0.088CC..THydrogen-bonded Turntrans51.9-127.3171.9-172.30000111.7G338 S339 I454 G455 P457 H735S336-G338 PolarHBondContact O-N 3.5Å; S336-G338 VanDerWaalsContact O-N 3.12Å; S336-S339 WeakPolarHBondContact O-CB 3.4Å; S336-S339 PolarHBondContact O-N 2.83Å; S336-S339 PolarHBondContact O-OG 3.07Å; S336-I454 PolarHBondContact N-O 2.92Å; S336-G455 WeakPolarHBondContact CA-O 3.32Å; S336-P457 WeakPolarHBondContact O-CD 3.4Å; S336-H735 VanDerWaalsContact CB-NE2 3.29Å; S336-H735 WeakPolarHBondContact CB-NE2 3.41Å; S336-H735 PolarHBondContact OG-CE1 3.36Å; S336-H735 PolarHBondContact OG-NE2 2.77Å; S336-H735 VanDerWaalsContact OG-NE2 3.08Å
337L92.7Very high92.1Very high11 Ų1112.5 Ų12.56%0.0587%0.074CC..Hα-helixtrans-53.3-31.6176.7-177.265.1000113.4I213 D288 I289 Y292 H335 S339 V340 I341I213-L337 HydrophobicContact CG2-CB 3.53Å; I213-L337 HydrophobicContact CG2-CD2 3.8Å; I213-L337 HydrophobicContact CG2-CG 4.29Å; D288-L337 HydrophobicContact CB-CD2 3.88Å; I289-L337 HydrophobicContact CG1-CD2 4.41Å; Y292-L337 HydrophobicContact CD1-CD1 3.9Å; Y292-L337 HydrophobicContact CG-CD1 4.07Å; H335-L337 PolarHBondContact O-N 3.16Å; L337-S339 PolarHBondContact O-N 3.15Å; L337-V340 HydrophobicContact CD1-CB 4.33Å; L337-V340 WeakPolarHBondContact O-CB 3.42Å; L337-V340 PolarHBondContact O-N 3.03Å; L337-I341 HydrophobicContact CG-CD1 4.19Å; L337-I341 HydrophobicContact CG-CG1 4.31Å; L337-I341 WeakPolarHBondContact O-CG1 3.32Å; L337-I341 PolarHBondContact O-N 3.26Å; L337-I341 VanDerWaalsContact O-N 3.11Å
338G94Very high91.4Very high0 Ų014.9 Ų14.90%07%0.074CC..Hα-helixtrans-58-31.6177.700000112.9H335 S336 V340 I341 M342H335-G338 WeakPolarHBondContact O-CA 3.41Å; H335-G338 PolarHBondContact O-N 3.01Å; S336-G338 PolarHBondContact O-N 3.5Å; S336-G338 VanDerWaalsContact O-N 3.12Å; G338-V340 VanDerWaalsContact C-N 3.34Å; G338-I341 PolarHBondContact O-N 3.4Å; G338-M342 WeakPolarHBondContact O-CB 3.29Å; G338-M342 PolarHBondContact O-N 2.95Å
339S94.6Very high90.1Very high0 Ų015.7 Ų15.70%08%0.077CC..Hα-helixtrans-63.5-39.2174.2-60.40000112.4A334 S336 L337 H343 S456A334-S339 PolarHBondContact O-OG 3.41Å; A334-S339 VanDerWaalsContact O-OG 3.05Å; S336-S339 WeakPolarHBondContact O-CB 3.4Å; S336-S339 PolarHBondContact O-N 2.83Å; S336-S339 PolarHBondContact O-OG 3.07Å; L337-S339 PolarHBondContact O-N 3.15Å; S339-H343 WeakPolarHBondContact O-CB 3.29Å; S339-H343 PolarHBondContact O-N 3.42Å; S339-S456 WeakPolarHBondContact CB-OG 3.4Å
340V93.9Very high88.1Confident2 Ų215.2 Ų15.21%0.0128%0.078CC..Hα-helixtrans-70.5-44.8179.1-174.20000110.7Y292 L337 G338 M342 H343 D344 P457 L458 F461Y292-V340 HydrophobicContact CD1-CG1 4.39Å; Y292-V340 HydrophobicContact CE1-CB 4.43Å; Y292-V340 HydrophobicContact CE1-CG1 3.65Å; L337-V340 HydrophobicContact CD1-CB 4.33Å; L337-V340 WeakPolarHBondContact O-CB 3.42Å; L337-V340 PolarHBondContact O-N 3.03Å; G338-V340 VanDerWaalsContact C-N 3.34Å; V340-M342 VanDerWaalsContact C-N 3.33Å; V340-M342 PolarHBondContact O-N 2.8Å; V340-H343 WeakPolarHBondContact O-CB 3.39Å; V340-H343 PolarHBondContact O-N 3.37Å; V340-D344 PolarHBondContact O-N 3.38Å; V340-P457 HydrophobicContact CG2-CG 3.96Å; V340-L458 HydrophobicContact CG2-CB 4.44Å; V340-L458 HydrophobicContact CG2-CD1 4.4Å; V340-F461 HydrophobicContact CG1-CB 4.22Å; V340-F461 HydrophobicContact CG1-CD1 3.42Å; V340-F461 VanDerWaalsContact CG1-CD1 3.42Å; V340-F461 HydrophobicContact CG1-CD2 3.68Å; V340-F461 HydrophobicContact CG1-CE1 3.51Å; V340-F461 HydrophobicContact CG1-CE2 3.78Å; V340-F461 HydrophobicContact CG1-CG 3.49Å; V340-F461 VanDerWaalsContact CG1-CG 3.49Å; V340-F461 HydrophobicContact CG1-CZ 3.68Å; V340-F461 HydrophobicContact CG2-CB 4.31Å; V340-F461 HydrophobicContact CG2-CG 4.43Å
341I93Very high85.5Confident0 Ų018.1 Ų18.10%011%0.11CC..Hα-helixtrans-62-45177.5-49.7167.3000110W256 Y292 I301 M302 L305 L337 G338 H343 D344 I345W256-I341 HydrophobicContact CD2-CD1 4.37Å; W256-I341 HydrophobicContact CH2-CD1 4Å; W256-I341 HydrophobicContact CZ2-CD1 3.65Å; W256-I341 HydrophobicContact CZ3-CD1 4.48Å; Y292-I341 HydrophobicContact CD2-CG1 3.95Å; Y292-I341 HydrophobicContact CE2-CB 4.22Å; Y292-I341 HydrophobicContact CE2-CG1 3.58Å; Y292-I341 HydrophobicContact CE2-CG2 4.13Å; Y292-I341 WeakPolarHBondContact OH-CA 3.33Å; I301-I341 HydrophobicContact CG2-CD1 3.7Å; I301-I341 HydrophobicContact CG2-CG1 4.18Å; I301-I341 HydrophobicContact CG2-CG2 4.14Å; M302-I341 HydrophobicContact CG-CG2 4.18Å; L305-I341 HydrophobicContact CB-CG2 4.15Å; L305-I341 HydrophobicContact CD2-CB 3.82Å; L305-I341 HydrophobicContact CD2-CG2 3.46Å; L305-I341 VanDerWaalsContact CD2-CG2 3.46Å; L305-I341 HydrophobicContact CG-CG2 4.41Å; L337-I341 HydrophobicContact CG-CD1 4.19Å; L337-I341 HydrophobicContact CG-CG1 4.31Å; L337-I341 WeakPolarHBondContact O-CG1 3.32Å; L337-I341 PolarHBondContact O-N 3.26Å; L337-I341 VanDerWaalsContact O-N 3.11Å; G338-I341 PolarHBondContact O-N 3.4Å; I341-H343 VanDerWaalsContact C-N 3.34Å; I341-H343 PolarHBondContact O-N 3.23Å; I341-D344 PolarHBondContact O-N 3.26Å; I341-I345 HydrophobicContact CG2-CD1 4.01Å; I341-I345 VanDerWaalsContact O-CG1 3.3Å; I341-I345 WeakPolarHBondContact O-CG1 3.33Å; I341-I345 PolarHBondContact O-N 2.87Å
342M93.1Very high82.5Confident1 Ų123.6 Ų23.61%0.00514%0.138CC..Hα-helixtrans-63.4-40.4178.6-164.869-125.500112L309 V332 A334 G338 V340 I345 L346 L448 L451L309-M342 HydrophobicContact CD1-CE 4.34Å; L309-M342 HydrophobicContact CD1-SD 3.91Å; V332-M342 HydrophobicContact CG1-CG 4.26Å; V332-M342 HydrophobicContact CG1-SD 4.09Å; V332-M342 HydrophobicContact CG2-SD 4.44Å; A334-M342 HydrophobicContact CB-CB 4.36Å; G338-M342 WeakPolarHBondContact O-CB 3.29Å; G338-M342 PolarHBondContact O-N 2.95Å; V340-M342 VanDerWaalsContact C-N 3.33Å; V340-M342 PolarHBondContact O-N 2.8Å; M342-I345 HydrophobicContact CE-CB 4.35Å; M342-I345 HydrophobicContact CE-CG2 4.01Å; M342-I345 PolarHBondContact O-N 3.04Å; M342-L346 HydrophobicContact CE-CD1 4.02Å; M342-L346 HydrophobicContact CE-CD2 3.53Å; M342-L346 HydrophobicContact CE-CG 3.5Å; M342-L346 VanDerWaalsContact CE-CG 3.5Å; M342-L346 HydrophobicContact CG-CD1 4.34Å; M342-L346 WeakPolarHBondContact O-CG 3.45Å; M342-L346 PolarHBondContact O-N 3.46Å; M342-L448 HydrophobicContact CE-CD1 4.3Å; M342-L451 HydrophobicContact CG-CD1 3.77Å; M342-L451 HydrophobicContact CG-CD2 4.31Å
343H90.9Very high79.4Confident6 Ų633.4 Ų33.43%0.02818%0.181CC..Hα-helixtrans-57.1-50.9174.2164.7-87.8000111.6S339 V340 I341 I345 L346 R347 L458 F527S339-H343 WeakPolarHBondContact O-CB 3.29Å; S339-H343 PolarHBondContact O-N 3.42Å; V340-H343 WeakPolarHBondContact O-CB 3.39Å; V340-H343 PolarHBondContact O-N 3.37Å; I341-H343 VanDerWaalsContact C-N 3.34Å; I341-H343 PolarHBondContact O-N 3.23Å; H343-I345 VanDerWaalsContact C-N 3.32Å; H343-I345 PolarHBondContact O-N 2.81Å; H343-L346 PolarHBondContact O-N 3.42Å; H343-R347 WeakPolarHBondContact O-CB 3.09Å; H343-R347 PolarHBondContact O-N 3.04Å; H343-L458 HydrophobicContact CB-CD1 3.58Å; H343-L458 HydrophobicContact CB-CD2 3.89Å; H343-L458 HydrophobicContact CB-CG 4.42Å; H343-F527 HydrophobicContact CB-CE1 4.22Å; H343-F527 HydrophobicContact CB-CZ 4.11Å; H343-F527 AromaticContact CD2-CE1 3.6Å; H343-F527 AromaticContact CD2-CZ 3.79Å
344D89.2Confident76.3Confident4 Ų436.8 Ų36.82%0.02120%0.198CC..Hα-helixtrans-65.4-36.7-178.2-70-16.6000112Y292 R298 M302 V340 I341 N348Y292-D344 WeakPolarHBondContact OH-CB 3.3Å; Y292-D344 PolarHBondContact OH-OD2 3.29Å; R298-D344 IonicContact CZ-OD2 3.27Å; R298-D344 VanDerWaalsContact CZ-OD2 3.27Å; R298-D344 IonicContact NE-OD2 3.08Å; R298-D344 PolarHBondContact NE-OD2 3.03Å; R298-D344 VanDerWaalsContact NE-OD2 3.08Å; R298-D344 IonicContact NH2-OD1 3.3Å; R298-D344 PolarHBondContact NH2-OD1 3.21Å; R298-D344 IonicContact NH2-OD2 2.67Å; R298-D344 PolarHBondContact NH2-OD2 3.21Å; M302-D344 VanDerWaalsContact CE-C 3.45Å; M302-D344 HydrophobicContact CE-CB 3.57Å; M302-D344 WeakPolarHBondContact CE-O 3.33Å; M302-D344 HydrophobicContact SD-CB 3.81Å; V340-D344 PolarHBondContact O-N 3.38Å; I341-D344 PolarHBondContact O-N 3.26Å; D344-N348 WeakPolarHBondContact O-CB 3.21Å; D344-N348 VanDerWaalsContact O-CG 3.3Å; D344-N348 PolarHBondContact O-N 3.06Å; D344-N348 VanDerWaalsContact O-N 3.1Å
345I88.6Confident73Confident0 Ų040.4 Ų40.40%022%0.222CC..Hα-helixtrans-61.4-51174.3-72170.9000110.9M302 L305 I341 M342 H343 R347 N348 T349 W442M302-I345 HydrophobicContact CB-CG1 4.17Å; M302-I345 HydrophobicContact CE-CG1 4.24Å; M302-I345 HydrophobicContact CG-CG1 4.39Å; L305-I345 HydrophobicContact CB-CD1 3.88Å; L305-I345 HydrophobicContact CD2-CD1 3.68Å; L305-I345 HydrophobicContact CG-CD1 3.73Å; I341-I345 HydrophobicContact CG2-CD1 4.01Å; I341-I345 VanDerWaalsContact O-CG1 3.3Å; I341-I345 WeakPolarHBondContact O-CG1 3.33Å; I341-I345 PolarHBondContact O-N 2.87Å; M342-I345 HydrophobicContact CE-CB 4.35Å; M342-I345 HydrophobicContact CE-CG2 4.01Å; M342-I345 PolarHBondContact O-N 3.04Å; H343-I345 VanDerWaalsContact C-N 3.32Å; H343-I345 PolarHBondContact O-N 2.81Å; I345-R347 VanDerWaalsContact C-N 3.34Å; I345-R347 PolarHBondContact O-N 3.04Å; I345-N348 PolarHBondContact O-N 3.05Å; I345-T349 PolarHBondContact O-N 3.02Å; I345-T349 VanDerWaalsContact O-N 3.12Å; I345-T349 PolarHBondContact O-OG1 3.47Å; I345-W442 HydrophobicContact CG2-CH2 4.36Å; I345-W442 HydrophobicContact CG2-CZ3 4.07Å
346L86.8Confident70.2Confident5 Ų546.7 Ų46.73%0.02626%0.256CS..Hα-helixtrans-66.6-37.2-177.6-67.8178.3000111.9M342 H343 N348 T349 L448 L451 F527 A531 C532M342-L346 HydrophobicContact CE-CD1 4.02Å; M342-L346 HydrophobicContact CE-CD2 3.53Å; M342-L346 HydrophobicContact CE-CG 3.5Å; M342-L346 VanDerWaalsContact CE-CG 3.5Å; M342-L346 HydrophobicContact CG-CD1 4.34Å; M342-L346 WeakPolarHBondContact O-CG 3.45Å; M342-L346 PolarHBondContact O-N 3.46Å; H343-L346 PolarHBondContact O-N 3.42Å; L346-N348 VanDerWaalsContact C-N 3.33Å; L346-N348 PolarHBondContact O-N 3.14Å; L346-T349 PolarHBondContact O-N 3.25Å; L346-L448 HydrophobicContact CD1-CD1 4.16Å; L346-L448 HydrophobicContact CD2-CD1 4.2Å; L346-L451 HydrophobicContact CD1-CD2 3.78Å; L346-F527 HydrophobicContact CB-CD1 3.62Å; L346-F527 HydrophobicContact CB-CE1 3.8Å; L346-F527 HydrophobicContact CB-CG 4.27Å; L346-F527 HydrophobicContact CD1-CD1 4.22Å; L346-F527 HydrophobicContact CD1-CD2 4.22Å; L346-F527 HydrophobicContact CD1-CE1 4.2Å; L346-F527 HydrophobicContact CD1-CE2 4.23Å; L346-F527 HydrophobicContact CD1-CG 4.24Å; L346-F527 HydrophobicContact CD1-CZ 4.2Å; L346-A531 HydrophobicContact CD2-CB 4.35Å; L346-C532 HydrophobicContact CD1-CB 4.42Å
347R79.8Confident67.2Low81 Ų8150.1 Ų50.131%0.30628%0.28SS..Hα-helixtrans-67.3-32.2177.5-168.9172.4-176.9-113.88.4112.8H343 I345 T350 C468H343-R347 WeakPolarHBondContact O-CB 3.09Å; H343-R347 PolarHBondContact O-N 3.04Å; I345-R347 VanDerWaalsContact C-N 3.34Å; I345-R347 PolarHBondContact O-N 3.04Å; R347-T350 PolarHBondContact O-OG1 3.36Å; R347-C468 PolarHBondContact NH2-O 3.04Å
348N72.1Confident64.5Low101 Ų10152.7 Ų52.754%0.5429%0.293SS..Hα-helixtrans-83.5-18.7177.7-71.4-6000113.4M302 D344 I345 L346M302-N348 VanDerWaalsContact CE-ND2 3.29Å; M302-N348 WeakPolarHBondContact CE-ND2 3.24Å; D344-N348 WeakPolarHBondContact O-CB 3.21Å; D344-N348 VanDerWaalsContact O-CG 3.3Å; D344-N348 PolarHBondContact O-N 3.06Å; D344-N348 VanDerWaalsContact O-N 3.1Å; I345-N348 PolarHBondContact O-N 3.05Å; L346-N348 VanDerWaalsContact C-N 3.33Å; L346-N348 PolarHBondContact O-N 3.14Å
349T62.7Low61.7Low31 Ų3160.7 Ų60.719%0.1933%0.328CS..Hα-helixtrans-77.9-22.7-178.9-54.60000112.4I345 L346 G351 P444I345-T349 PolarHBondContact O-N 3.02Å; I345-T349 VanDerWaalsContact O-N 3.12Å; I345-T349 PolarHBondContact O-OG1 3.47Å; L346-T349 PolarHBondContact O-N 3.25Å; T349-G351 PolarHBondContact O-N 3.47Å; T349-P444 HydrophobicContact CG2-CB 4.36Å
350T51.6Low58.7Low52 Ų5267.3 Ų67.332%0.31936%0.359SS..THydrogen-bonded Turntrans-74.1-2.6-175.650.20000114.9R347 A531R347-T350 PolarHBondContact O-OG1 3.36Å; T350-A531 HydrophobicContact CG2-CB 4.13Å
351G38.5Very low55.9Low68 Ų6870 Ų7070%0.70138%0.378SS*.THydrogen-bonded Turntrans-85.9-7.3176.700000115.8T349T349-G351 PolarHBondContact O-N 3.47Å
352L33.2Very low53Low116 Ų11675.5 Ų75.561%0.60741%0.406SS*.SBendtrans-108.2100.4179.2-66.6168.1000109.3L354L352-L354 PolarHBondContact O-N 3.02Å
353K31.9Very low50.2Low208 Ų20877.2 Ų77.290%0.90443%0.425SS*.  trans-56.2108.3167.7-73.5-176.2177.9-177.80108P355K353-P355 WeakPolarHBondContact O-CD 3.46Å
354L31.8Very low47.5Very low71 Ų7183 Ų8337%0.37246%0.456SS..  trans-68.5123.6173.7-127.278.4000108.8L352 N356 I358 P444L352-L354 PolarHBondContact O-N 3.02Å; L354-N356 PolarHBondContact O-N 3.35Å; L354-I358 HydrophobicContact CD2-CD1 4.3Å; L354-I358 HydrophobicContact CG-CD1 4.19Å; L354-P444 HydrophobicContact CD1-CB 4.01Å; L354-P444 HydrophobicContact CD1-CG 3.44Å; L354-P444 VanDerWaalsContact CD1-CG 3.44Å; L354-P444 HydrophobicContact CD2-CG 3.79Å; L354-P444 HydrophobicContact CG-CG 4.23Å
355P27.6Very low44.7Very low77 Ų7789.5 Ų89.550%0.549%0.49SS..  trans-64.7132167.8-13.528.5000108.1K353 S357 I358K353-P355 WeakPolarHBondContact O-CD 3.46Å; P355-S357 PolarHBondContact O-N 2.87Å; P355-I358 PolarHBondContact O-N 3.12Å
356N34.2Very low41.9Very low142 Ų14295 Ų9576%0.75952%0.519SS*.THydrogen-bonded Turntrans-53.4-11.3175.3-73.4-26.4000113.8L354 I358 F359L354-N356 PolarHBondContact O-N 3.35Å; N356-I358 VanDerWaalsContact C-N 3.32Å; N356-I358 PolarHBondContact O-N 3.4Å; N356-F359 PolarHBondContact O-N 3.44Å
357S31.9Very low39Very low76 Ų7699.9 Ų99.953%0.53155%0.553SS.*Hα-helixtrans-68.7-19.6178.859.60000115P355 F359 H360 S361P355-S357 PolarHBondContact O-N 2.87Å; S357-F359 VanDerWaalsContact C-N 3.34Å; S357-H360 PolarHBondContact O-N 3.06Å; S357-S361 PolarHBondContact O-N 3.18Å
358I35.7Very low36.5Very low66 Ų66101.7 Ų101.734%0.33858%0.578SS.*Hα-helixtrans-74.8-26179.2-60.5178.2000111.8L354 P355 N356 H360 L362L354-I358 HydrophobicContact CD2-CD1 4.3Å; L354-I358 HydrophobicContact CG-CD1 4.19Å; P355-I358 PolarHBondContact O-N 3.12Å; N356-I358 VanDerWaalsContact C-N 3.32Å; N356-I358 PolarHBondContact O-N 3.4Å; I358-H360 VanDerWaalsContact C-N 3.32Å; I358-L362 HydrophobicContact CG2-CD1 3.89Å; I358-L362 PolarHBondContact O-N 3.48Å; I358-L362 VanDerWaalsContact O-N 3.16Å
359F34.1Very low34.4Very low167 Ų167106.4 Ų106.473%0.73260%0.597SS**Hα-helixtrans-71-29.1173.5-87.3-82.9000112.6N356 S357N356-F359 PolarHBondContact O-N 3.44Å; S357-F359 VanDerWaalsContact C-N 3.34Å
360H32.8Very low32.7Very low140 Ų140109.5 Ų109.565%0.64862%0.62SS**Hα-helixtrans-80.6-39.4172.1-78.3-75.1000112S357 I358 L362 G363 D364S357-H360 PolarHBondContact O-N 3.06Å; I358-H360 VanDerWaalsContact C-N 3.32Å; H360-L362 VanDerWaalsContact C-N 3.31Å; H360-L362 PolarHBondContact O-N 3.05Å; H360-G363 WeakPolarHBondContact O-CA 3.47Å; H360-G363 PolarHBondContact O-N 3.37Å; H360-D364 PolarHBondContact O-N 3.49Å
361S33.5Very low31.5Very low57 Ų57113.3 Ų113.340%0.39964%0.637SS.*Hα-helixtrans-71-22.6-178.685.30000114.3S357 L365S357-S361 PolarHBondContact O-N 3.18Å; S361-L365 PolarHBondContact O-N 2.96Å
362L32.6Very low30.9Very low116 Ų116116.2 Ų116.261%0.60764%0.636SS**THydrogen-bonded Turntrans-80.8-21.4169.8-77.2160.8000112.5I358 H360I358-L362 HydrophobicContact CG2-CD1 3.89Å; I358-L362 PolarHBondContact O-N 3.48Å; I358-L362 VanDerWaalsContact O-N 3.16Å; H360-L362 VanDerWaalsContact C-N 3.31Å; H360-L362 PolarHBondContact O-N 3.05Å
363G33.9Very low30.5Very low38 Ų38118.6 Ų118.639%0.39264%0.644SS.*THydrogen-bonded Turntrans-73.2-35.7168.100000112.6H360 N366H360-G363 WeakPolarHBondContact O-CA 3.47Å; H360-G363 PolarHBondContact O-N 3.37Å; G363-N366 WeakPolarHBondContact O-CB 3.38Å; G363-N366 PolarHBondContact O-N 2.81Å; G363-N366 PolarHBondContact O-ND2 2.82Å
364D34.5Very low30.4Very low126 Ų126116 Ų11667%0.67464%0.635SS**THydrogen-bonded Turntrans-86.9-8.3-175.5-65.9-28.9000114.7H360 N366H360-D364 PolarHBondContact O-N 3.49Å; D364-N366 PolarHBondContact O-N 2.95Å
365L31.8Very low30.4Very low142 Ų142117.5 Ų117.574%0.74364%0.643SS**THydrogen-bonded Turntrans-78.40.2166.6-79.6159.3000112.9S361 C367S361-L365 PolarHBondContact O-N 2.96Å; L365-C367 VanDerWaalsContact C-N 3.27Å; L365-C367 PolarHBondContact O-N 2.98Å
366N29.4Very low30.6Very low114 Ų114123.3 Ų123.361%0.6166%0.664SS**  trans-82.167162.3-70.3-43.8000110.7G363 D364G363-N366 WeakPolarHBondContact O-CB 3.38Å; G363-N366 PolarHBondContact O-N 2.81Å; G363-N366 PolarHBondContact O-ND2 2.82Å; D364-N366 PolarHBondContact O-N 2.95Å
367C26.2Very low30.6Very low109 Ų109123 Ų12374%0.73666%0.662SS**  trans-144.877.7168.4-156.80000112L365L365-C367 VanDerWaalsContact C-N 3.27Å; L365-C367 PolarHBondContact O-N 2.98Å
368S27.2Very low30.6Very low119 Ų119123 Ų12383%0.83268%0.675SS**  trans-156.671.3142.8-72.50000106.2S370S368-S370 PolarHBondContact O-N 2.81Å
369Q27.9Very low30.5Very low199 Ų199125.2 Ų125.293%0.9369%0.691SS**  trans-60.4102.8167.6-86.8174.6-24.300108.8
370S27.5Very low30.3Very low97 Ų97122.8 Ų122.868%0.67868%0.684SS**  trans-104.388.4151.660.60000108.2S368 L372S368-S370 PolarHBondContact O-N 2.81Å; S370-L372 PolarHBondContact O-N 3.36Å
371L24.6Very low30.1Very low131 Ų131121.6 Ų121.669%0.68669%0.692SS**  trans2088.7147.7-68.7157000116.1M382L371-M382 HydrophobicContact CB-SD 4.38Å
372L26.5Very low29.9Very low130 Ų130124.7 Ų124.768%0.68170%0.702SS**  trans-131.890.3154.7-71178.3000107.8S370 I380S370-L372 PolarHBondContact O-N 3.36Å; L372-I380 HydrophobicContact CD2-CD1 4.46Å; L372-I380 HydrophobicContact CD2-CG2 4.04Å
373H26Very low29.6Very low165 Ų165130.5 Ų130.576%0.76472%0.715SS**  trans-85.3106.4163.3-151.1-90.8000105.8N375H373-N375 PolarHBondContact ND1-OD1 3Å; H373-N375 PolarHBondContact O-N 2.91Å
374E28.2Very low29.5Very low154 Ų154134.8 Ų134.872%0.7274%0.736SS**  trans-69.5109166.4-77.6-174.4153.500107.1
375N31.5Very low29.3Very low102 Ų102139.1 Ų139.155%0.54575%0.749SS.*  trans-74.4149.7161.8-65.6-23.3000108H373 D377 G378H373-N375 PolarHBondContact ND1-OD1 3Å; H373-N375 PolarHBondContact O-N 2.91Å; N375-D377 PolarHBondContact O-N 3.42Å; N375-G378 PolarHBondContact O-N 2.69Å
376E33.5Very low29.1Very low199 Ų199142.7 Ų142.793%0.9376%0.759SS**THydrogen-bonded Turntrans-59.52-173.3-68.1-174.6143.400115.4
377D34.4Very low29.2Very low136 Ų136140.9 Ų140.973%0.72777%0.767SS**THydrogen-bonded Turntrans-117.213.1-171.2-50.3-26.2000114.1N375 T379N375-D377 PolarHBondContact O-N 3.42Å; D377-T379 VanDerWaalsContact C-N 3.28Å; D377-T379 PolarHBondContact O-N 2.87Å; D377-T379 VanDerWaalsContact O-N 3.11Å; D377-T379 PolarHBondContact O-OG1 3.2Å
378G30.9Very low29.3Very low77 Ų77146.8 Ų146.879%0.79477%0.774SS**SBendtrans65.818.916800000116.6N375N375-G378 PolarHBondContact O-N 2.69Å
379T33.3Very low29.2Very low111 Ų111147.1 Ų147.168%0.68177%0.771SS**  trans-118.4127.617723.40000111.5D377D377-T379 VanDerWaalsContact C-N 3.28Å; D377-T379 PolarHBondContact O-N 2.87Å; D377-T379 VanDerWaalsContact O-N 3.11Å; D377-T379 PolarHBondContact O-OG1 3.2Å
380I30.9Very low29.3Very low116 Ų116148.8 Ų148.860%0.59577%0.769SS**  trans-109.4126.5-178.2-60172.6000109.4L372L372-I380 HydrophobicContact CD2-CD1 4.46Å; L372-I380 HydrophobicContact CD2-CG2 4.04Å
381S27.9Very low29.2Very low116 Ų116151.2 Ų151.281%0.81177%0.774SS**  trans-131.2128.3175.1176.30000110.2
382M29.6Very low29.4Very low122 Ų122153.6 Ų153.660%0.60179%0.787SS**  trans-115129.1-176.7-74.5-75.8-81.700111.7L371L371-M382 HydrophobicContact CB-SD 4.38Å
383R26.9Very low29.4Very low237 Ų237152.8 Ų152.889%0.89479%0.788SS**  trans-111.8137.2167-76.5-174.7177.5-171.60.2110.2
384P31Very low29.5Very low128 Ų128153.3 Ų153.383%0.83179%0.79SS**  trans-95.7143.8-178.335.4-30.4000113
385K29.8Very low29.4Very low217 Ų217152.5 Ų152.594%0.94380%0.8SS**  trans-136.3135.5159.8-99.1-172.6176.9179.10112.2
386K28.9Very low29.2Very low218 Ų218152.3 Ų152.395%0.94881%0.807SS**  trans-75.5147.6-177.4-70.8171.8171.1175.60112.9
387G30.3Very low29.1Very low76 Ų76150.2 Ų150.278%0.78480%0.802SS**  trans172.482.7162.400000118.8
388R28.6Very low29Very low232 Ų232149.3 Ų149.388%0.87581%0.806SS**  trans50.9121.2138.5-150170.5-176.6165.20.6122.4
389T26Very low29Very low126 Ų126149.1 Ų149.177%0.77381%0.805SS**  trans-83.9154171.741.10000114.7
390R29.1Very low29Very low234 Ų234150 Ų15088%0.88382%0.815SS**  trans-143.8128.6151.2-82.4-171172.8139.8-4.1110.5
391N25.9Very low29Very low149 Ų149154.1 Ų154.180%0.79783%0.829SS**  trans-82.6151.9176.5-73.1-24.1000112
392L29.2Very low29.2Very low180 Ų180157 Ų15794%0.94283%0.829SS**  trans-139.1128.2150.1-89162.9000109.2
393T26Very low29.2Very low114 Ų114158 Ų15870%0.69984%0.837SS**  trans-102.4169.4-174.128.90000112
394E27Very low29.4Very low176 Ų176153.1 Ų153.182%0.82283%0.832SS**  trans88110.8153-76.6163.8-167.400120.8
395C27Very low29.2Very low137 Ų137152.4 Ų152.493%0.92683%0.826SS**  -168.1143.5106.4-1070000112.9
396S27.1Very low29.4Very low98 Ų98148.9 Ų148.969%0.68582%0.818SS**  trans-121.8176.8-164.238.90000113
397N32.1Very low29.5Very low154 Ų154144.2 Ų144.282%0.82481%0.807SS**  trans95.6140.9164.5-67.6-15.9000117.1
398S32Very low29.7Very low117 Ų117147 Ų14782%0.81880%0.803SS**  cis-175.7158.212380000112.6
399G30.1Very low30Very low74 Ų74142.7 Ų142.776%0.76380%0.797SS**  trans95.1130.715500000116.4
400S32.8Very low30.2Very low129 Ų129143.2 Ų143.290%0.90280%0.796SS**  cis-163.615525.8-45.30000110.4
401K30.8Very low30.4Very low202 Ų202136.9 Ų136.988%0.87879%0.787SS**  trans-93.1175.6-172.8-74.1174.9171.8174.60114.3
402E33Very low30.7Very low176 Ų176136.5 Ų136.582%0.82279%0.785SS**  trans100.1140.2153.2-65.5-163.6157.300117.5
403L28.5Very low31Very low145 Ų145134 Ų13476%0.75977%0.772SS**  cis-174.2168.7-18.2-146106.2000105.8
404V31.4Very low31.3Very low133 Ų133134.6 Ų134.681%0.80677%0.772SS**  trans126.4103.3154.8-176.30000114.3
405T28.3Very low31.7Very low114 Ų114133 Ų13370%0.69977%0.769SS**  trans-107.4172.416945.70000111.1
406N32.4Very low31.9Very low143 Ų143133 Ų13377%0.76576%0.76SS**  trans113.5128.5164-55.6-9.8000111.3
407T32.8Very low32.1Very low119 Ų119137.6 Ų137.673%0.7377%0.77SS**  cis-173.3119.546-53.10000105.8
408I33.2Very low32Very low136 Ų136135.1 Ų135.170%0.69777%0.765SS**  79.2130.583-68.6173.1000116.2
409N34.7Very low32Very low141 Ų141137.6 Ų137.675%0.75477%0.769SS**  trans82.4147153.3-73.9-13.8000121.9
410N30.1Very low31.8Very low137 Ų137145.3 Ų145.373%0.73378%0.775SS**  cis-178165.1-26.7-147.8-4.2000107.4
411S34.6Very low31.6Very low101 Ų101146.3 Ų146.371%0.70677%0.77SS**  trans93138.9160.6-45.60000118
412N32.7Very low31.5Very low141 Ų141146 Ų14675%0.75477%0.771SS**  cis-175.8162.3-22.5-119.3-12.8000107.2
413N34.5Very low31.3Very low126 Ų126142.9 Ų142.967%0.67476%0.764SS**  trans96.8100153.7-69.4-7.7000122.2
414N33Very low31.1Very low128 Ų128142.6 Ų142.668%0.68476%0.763SS**  69.9110.5110.7-63.4-8.3000121.2
415N34.7Very low30.8Very low142 Ų142145 Ų14576%0.75976%0.763SS**  165.6121.597.7-91-26.9000114.2
416N31.1Very low30.8Very low138 Ų138147.9 Ų147.974%0.73876%0.762SS**  trans28116.7139.6-59.2-18000121.6
417H32.3Very low30.5Very low193 Ų193146.7 Ų146.789%0.89476%0.762SS**  -171.3128.4103.5-113.1-63.6000110.7
418S28.9Very low30.3Very low103 Ų103148 Ų14872%0.7277%0.765SS**  trans-86.4130.3-17852.50000112.3
419D31.5Very low29.9Very low169 Ų169145.7 Ų145.790%0.90477%0.774SS**  trans-139.7133.3149-108.9-27.8000109.7D421D419-D421 PolarHBondContact O-N 3.27Å
420R26.6Very low29.5Very low236 Ų236140.5 Ų140.589%0.89175%0.754SS**  trans-83.5107.2-164.5-67.4173.7174.4171.8-1.8110.8
421D29.4Very low29.5Very low150 Ų150136.5 Ų136.580%0.80274%0.737SS**  trans-102.5117.8162.2-103.6-18.8000109.9D419 T423D419-D421 PolarHBondContact O-N 3.27Å; D421-T423 VanDerWaalsContact C-N 3.33Å; D421-T423 PolarHBondContact O-N 3.49Å
422H28.1Very low29.3Very low195 Ų195139.8 Ų139.890%0.90374%0.738SS**  trans-61.691.4171.2-82.3-81.6000109.8
423T27.8Very low29.3Very low111 Ų111137.5 Ų137.568%0.68173%0.726SS**  trans-86.6121.116633.10000108.2D421 K425D421-T423 VanDerWaalsContact C-N 3.33Å; D421-T423 PolarHBondContact O-N 3.49Å; T423-K425 PolarHBondContact O-N 2.76Å
424L25.9Very low29.1Very low138 Ų138138 Ų13872%0.72372%0.724SS**  trans-53.288.3159.9-92.7145.9000108.3Y426L424-Y426 PolarHBondContact O-N 2.67Å
425K25.3Very low28.9Very low185 Ų185138.1 Ų138.180%0.80472%0.724SS**  trans-73.2100.3162-82.6-175.8175.3-179.60106.2T423 P427T423-K425 PolarHBondContact O-N 2.76Å; K425-P427 WeakPolarHBondContact O-CD 3.45Å
426Y28.3Very low28.7Very low174 Ų174135.4 Ų135.468%0.68271%0.709SS**  trans-60.8123.3161.3-70.7-84.4000107.9L424 N428L424-Y426 PolarHBondContact O-N 2.67Å; Y426-N428 VanDerWaalsContact C-N 3.28Å; Y426-N428 PolarHBondContact O-N 3.34Å
427P26Very low28.7Very low118 Ų118133.7 Ų133.777%0.76671%0.708SS**SBendtrans-74.190.8175.129.5-28.7000107.6K425K425-P427 WeakPolarHBondContact O-CD 3.45Å
428N26.8Very low28.9Very low147 Ų147132.9 Ų132.979%0.78670%0.702SS**SBendtrans138.691169.9-74.1-16.5000107.3Y426 G430Y426-N428 VanDerWaalsContact C-N 3.28Å; Y426-N428 PolarHBondContact O-N 3.34Å; N428-G430 PolarHBondContact O-N 3.03Å
429G26.7Very low29.1Very low87 Ų87131.5 Ų131.590%0.89769%0.691SS**  trans-69.638.7-174.600000115.9
430G25.7Very low29.4Very low32 Ų32133.8 Ų133.833%0.3369%0.692SS.*  trans-100.8127.7165.800000109N428N428-G430 PolarHBondContact O-N 3.03Å
431S29.9Very low30.1Very low53 Ų53130.3 Ų130.337%0.37169%0.686SS.*  trans-56.6144.716466.10000108.4L433 E434 N435S431-L433 PolarHBondContact O-N 3.3Å; S431-E434 PolarHBondContact N-OE2 2.81Å; S431-E434 PolarHBondContact O-N 3.42Å; S431-E434 WeakPolarHBondContact OG-CG 3.48Å; S431-E434 PolarHBondContact OG-N 3.22Å; S431-E434 PolarHBondContact OG-OE2 2.91Å; S431-N435 PolarHBondContact O-N 2.92Å
432F30Very low30.7Very low169 Ų169128.2 Ų128.274%0.74167%0.667SS**THydrogen-bonded Turntrans-52-21.3169-179.3-102.3000111.6I436F432-I436 HydrophobicContact CD1-CD1 4.44Å; F432-I436 HydrophobicContact CE1-CD1 4.1Å
433L32.7Very low31.6Very low94 Ų94125.4 Ų125.449%0.49265%0.652SS.*THydrogen-bonded Turntrans-78.9-19.3174.9-63.8169.2000114.7F81 S431F81-L433 HydrophobicContact CE2-CD1 4.5Å; F81-L433 HydrophobicContact CZ-CD1 4.34Å; S431-L433 PolarHBondContact O-N 3.3Å
434E31.5Very low32.9Very low137 Ų137122.7 Ų122.764%0.6464%0.636SS**THydrogen-bonded Turntrans-87.8-22.5173.2-82.7163.2152.200112.4S431 I436S431-E434 PolarHBondContact N-OE2 2.81Å; S431-E434 PolarHBondContact O-N 3.42Å; S431-E434 WeakPolarHBondContact OG-CG 3.48Å; S431-E434 PolarHBondContact OG-N 3.22Å; S431-E434 PolarHBondContact OG-OE2 2.91Å; E434-I436 VanDerWaalsContact C-N 3.35Å
435N27.9Very low34.4Very low129 Ų129117.6 Ų117.669%0.6961%0.611SS**SBendtrans-85.9-4.4176-73.1-20.7000113.7S431 S437S431-N435 PolarHBondContact O-N 2.92Å; N435-S437 PolarHBondContact O-N 2.9Å
436I30.4Very low36.6Very low85 Ų85110.6 Ų110.644%0.43658%0.584SS.*SBendtrans-87.792.2166.9-59171.7000107.3F432 E434 K438F432-I436 HydrophobicContact CD1-CD1 4.44Å; F432-I436 HydrophobicContact CE1-CD1 4.1Å; E434-I436 VanDerWaalsContact C-N 3.35Å; I436-K438 PolarHBondContact O-N 2.87Å
437S31.3Very low39.1Very low102 Ų102105 Ų10571%0.71356%0.564SS**PPolyproline II helixtrans-51.8132.3169.6-70.70000109.6N435 P439N435-S437 PolarHBondContact O-N 2.9Å; S437-P439 VanDerWaalsContact O-N 3.09Å
438K35.9Very low42.2Very low177 Ų17799.4 Ų99.477%0.7753%0.528SS*.PPolyproline II helixtrans-47.3121.5166.9-71.3-179.6-180-179.30107I436 K440I436-K438 PolarHBondContact O-N 2.87Å; K438-K440 PolarHBondContact O-N 3.07Å; K438-K440 VanDerWaalsContact O-N 3.11Å
439P33.8Very low45.3Very low74 Ų7492.7 Ų92.748%0.48149%0.493SS..PPolyproline II helixtrans-59.9124.7-178.624.9-32.6000107.9S437 E441S437-P439 VanDerWaalsContact O-N 3.09Å; P439-E441 WeakPolarHBondContact CB-O 3.15Å; P439-E441 PolarHBondContact O-N 2.82Å
440K38.7Very low48.5Very low216 Ų21688.5 Ų88.594%0.93945%0.45SS*.SBendtrans-64.4-19.1176.9-76.1-175.6176.7-179.30111.8K438K438-K440 PolarHBondContact O-N 3.07Å; K438-K440 VanDerWaalsContact O-N 3.11Å
441E40Very low51.8Low163 Ų16387 Ų8776%0.76244%0.435SS*.SBendtrans-124141.9179.5-70.8178.7169.200111.3P439 K443P439-E441 WeakPolarHBondContact CB-O 3.15Å; P439-E441 PolarHBondContact O-N 2.82Å; E441-K443 PolarHBondContact O-N 2.7Å
442W41.4Very low54.9Low106 Ų10684.5 Ų84.540%0.40242%0.417SS..PPolyproline II helixtrans-64.1121.6176.7-81.969.4000110.4Q303 S306 I345Q303-W442 HydrophobicContact CG-CZ2 4.36Å; S306-W442 VanDerWaalsContact CB-CH2 3.44Å; S306-W442 WeakPolarHBondContact OG-CH2 3.37Å; S306-W442 WeakPolarHBondContact OG-CZ3 3.29Å; I345-W442 HydrophobicContact CG2-CH2 4.36Å; I345-W442 HydrophobicContact CG2-CZ3 4.07Å
443K48.8Very low58.1Low137 Ų13776.4 Ų76.460%0.59638%0.382SS*.PPolyproline II helixtrans-83.8130158.2-70.6-173.3177.6-175.30107.7E441 V445E441-K443 PolarHBondContact O-N 2.7Å; K443-V445 PolarHBondContact O-N 2.91Å
444P53.1Low61Low53 Ų5372 Ų7234%0.34436%0.359SS..PPolyproline II helixtrans-60.1139.2175.431.9-41.4000109.6T349 L354T349-P444 HydrophobicContact CG2-CB 4.36Å; L354-P444 HydrophobicContact CD1-CB 4.01Å; L354-P444 HydrophobicContact CD1-CG 3.44Å; L354-P444 VanDerWaalsContact CD1-CG 3.44Å; L354-P444 HydrophobicContact CD2-CG 3.79Å; L354-P444 HydrophobicContact CG-CG 4.23Å
445V57.5Low63.9Low31 Ų3165.5 Ų65.519%0.18833%0.328CS..PPolyproline II helixtrans-62137.8163.2-175.70000106.7K443 L448K443-V445 PolarHBondContact O-N 2.91Å; V445-L448 HydrophobicContact CG1-CD2 4.09Å
446P71.7Confident67Low38 Ų3859.4 Ų59.425%0.24730%0.296CS..PPolyproline II helixtrans-52.4148.4171.625-37.8000110.6F313 I330 L448F313-P446 HydrophobicContact CD1-CG 4.11Å; F313-P446 HydrophobicContact CD2-CG 4.2Å; F313-P446 HydrophobicContact CE1-CG 3.73Å; F313-P446 HydrophobicContact CE2-CG 3.86Å; F313-P446 HydrophobicContact CG-CG 4.32Å; F313-P446 HydrophobicContact CZ-CB 4.25Å; F313-P446 HydrophobicContact CZ-CG 3.59Å; I330-P446 HydrophobicContact CD1-CB 3.72Å; I330-P446 HydrophobicContact CD1-CG 3.22Å; P446-L448 PolarHBondContact O-N 3.37Å; P446-L448 VanDerWaalsContact O-N 3.1Å
447Q82.3Confident70Confident56 Ų5656.7 Ų56.726%0.26228%0.283SS..PPolyproline II helixtrans-49.6121.3179.1-178.8-174.149.300110.2A449 Y529 F530 R533Q447-A449 PolarHBondContact O-N 3.42Å; Q447-Y529 PolarHBondContact NE2-O 2.81Å; Q447-F530 WeakPolarHBondContact CB-O 3.5Å; Q447-F530 WeakPolarHBondContact CG-O 3.45Å; Q447-R533 HydrophobicContact CG-CG 4.06Å; Q447-R533 VanDerWaalsContact OE1-CZ 3.3Å
448L90.2Very high72.9Confident1 Ų151.8 Ų51.81%0.00525%0.249CC..BIsolated β-bridgetrans-73.5130.1178.9-61.2-177.6000109.6I330 V332 M342 L346 V445 P446 A531 C532 R533I330-L448 HydrophobicContact CG2-CD2 3.92Å; V332-L448 HydrophobicContact CB-CD1 4.29Å; V332-L448 HydrophobicContact CG2-CD1 3.76Å; V332-L448 HydrophobicContact CG2-CD2 3.89Å; V332-L448 HydrophobicContact CG2-CG 4.5Å; M342-L448 HydrophobicContact CE-CD1 4.3Å; L346-L448 HydrophobicContact CD1-CD1 4.16Å; L346-L448 HydrophobicContact CD2-CD1 4.2Å; V445-L448 HydrophobicContact CG1-CD2 4.09Å; P446-L448 PolarHBondContact O-N 3.37Å; P446-L448 VanDerWaalsContact O-N 3.1Å; L448-A531 PolarHBondContact N-O 3.16Å; L448-C532 HydrophobicContact CB-CB 4.2Å; L448-C532 CarbonylContact O-C 3.56Å; L448-C532 WeakPolarHBondContact O-CA 3.38Å; L448-R533 PolarHBondContact O-N 3.38Å
449A91.3Very high75.5Confident6 Ų643.6 Ų43.65%0.0522%0.215CC..SBendtrans-68.6-44.1170.600000110.9Q329 I330 Q447 R534Q329-A449 HydrophobicContact CB-CB 3.91Å; Q329-A449 HydrophobicContact CG-CB 4.44Å; I330-A449 WeakPolarHBondContact O-CB 3.33Å; I330-A449 PolarHBondContact O-N 2.88Å; Q447-A449 PolarHBondContact O-N 3.42Å; A449-R534 PolarHBondContact O-N 3.32Å
450N93.8Very high78.2Confident0 Ų043.8 Ų43.80%021%0.211CC..EExtended strand (participates in β ladder)trans-142.7137.6179.6-47-72.9000111.8S331 V332 F452 R534 F536S331-N450 CarbonylContact C-O 3.1Å; S331-N450 WeakPolarHBondContact CA-O 3.21Å; S331-N450 VanDerWaalsContact CB-O 3.31Å; S331-N450 WeakPolarHBondContact CB-O 3.47Å; S331-N450 WeakPolarHBondContact OG-CB 3.41Å; S331-N450 PolarHBondContact OG-ND2 3.25Å; V332-N450 PolarHBondContact N-O 2.8Å; N450-F452 HydrophobicContact CB-CD2 4.14Å; N450-F452 HydrophobicContact CB-CE2 3.49Å; N450-F452 VanDerWaalsContact CB-CE2 3.49Å; N450-F452 HydrophobicContact CB-CZ 3.77Å; N450-R534 CarbonylContact C-O 3.5Å; N450-R534 WeakPolarHBondContact CA-O 3.22Å; N450-R534 PolarHBondContact OD1-NE 2.85Å; N450-R534 PolarHBondContact OD1-NH2 3.5Å; N450-F536 HydrophobicContact CB-CD2 4.47Å; N450-F536 HydrophobicContact CB-CE2 4.1Å
451L95.3Very high80.6Confident0 Ų035 Ų350%017%0.173CC..EExtended strand (participates in β ladder)trans-114.6112.5165.2176.462000109.2V332 A334 M342 L346 L453 F527 R534 V535 F536V332-L451 HydrophobicContact CB-CD1 3.77Å; V332-L451 HydrophobicContact CG1-CD1 3.81Å; A334-L451 HydrophobicContact CB-CD1 4.32Å; M342-L451 HydrophobicContact CG-CD1 3.77Å; M342-L451 HydrophobicContact CG-CD2 4.31Å; L346-L451 HydrophobicContact CD1-CD2 3.78Å; L451-L453 HydrophobicContact CD1-CD2 3.87Å; L451-L453 HydrophobicContact CD2-CD2 3.81Å; L451-L453 HydrophobicContact CD2-CG 4.45Å; L451-L453 HydrophobicContact CG-CD2 3.64Å; L451-L453 HydrophobicContact CG-CG 4.2Å; L451-F527 HydrophobicContact CD2-CD2 4.4Å; L451-F527 HydrophobicContact CD2-CE2 3.58Å; L451-F527 HydrophobicContact CD2-CZ 4Å; L451-R534 PolarHBondContact N-O 3Å; L451-V535 HydrophobicContact CB-CG2 4.5Å; L451-V535 CarbonylContact O-C 3.57Å; L451-V535 WeakPolarHBondContact O-CA 3.42Å; L451-F536 PolarHBondContact O-N 3.03Å
452F96.3Very high82.8Confident0 Ų027.8 Ų27.80%014%0.139CC..EExtended strand (participates in β ladder)trans-98.1110.8175.7-59.4-83.2000109.3V332 L333 A334 N450 F536 I538 F747 M748 Q751 I752V332-F452 PolarHBondContact O-N 3.48Å; L333-F452 HydrophobicContact CD1-CB 3.49Å; L333-F452 VanDerWaalsContact CD1-CB 3.49Å; L333-F452 HydrophobicContact CD1-CG 4.42Å; A334-F452 PolarHBondContact N-O 3.5Å; N450-F452 HydrophobicContact CB-CD2 4.14Å; N450-F452 HydrophobicContact CB-CE2 3.49Å; N450-F452 VanDerWaalsContact CB-CE2 3.49Å; N450-F452 HydrophobicContact CB-CZ 3.77Å; F452-F536 HydrophobicContact CD1-CB 3.94Å; F452-F536 AromaticContact CD1-CD2 3.66Å; F452-F536 HydrophobicContact CD1-CD2 3.66Å; F452-F536 HydrophobicContact CD1-CG 4.07Å; F452-F536 HydrophobicContact CE1-CB 4.44Å; F452-F536 AromaticContact CE1-CD2 3.47Å; F452-F536 HydrophobicContact CE1-CD2 3.47Å; F452-F536 VanDerWaalsContact CE1-CD2 3.47Å; F452-F536 AromaticContact CE1-CE2 3.91Å; F452-F536 HydrophobicContact CE1-CE2 3.91Å; F452-F536 HydrophobicContact CE1-CG 4.08Å; F452-F536 HydrophobicContact CG-CD2 4.46Å; F452-F536 HydrophobicContact CZ-CD2 4.15Å; F452-F536 HydrophobicContact CZ-CE2 4.26Å; F452-I538 HydrophobicContact CD1-CD1 4.27Å; F452-F747 HydrophobicContact CD1-CE1 4.45Å; F452-F747 HydrophobicContact CE1-CE1 4.25Å; F452-M748 HydrophobicContact CD1-CG 4.05Å; F452-M748 HydrophobicContact CD2-CE 3.98Å; F452-M748 HydrophobicContact CE1-CB 4.43Å; F452-M748 HydrophobicContact CE1-CG 3.99Å; F452-M748 HydrophobicContact CE2-CE 4.14Å; F452-M748 HydrophobicContact CG-CE 4.35Å; F452-M748 HydrophobicContact CG-CG 4.41Å; F452-M748 HydrophobicContact CZ-CB 4.4Å; F452-M748 HydrophobicContact CZ-CG 4.28Å; F452-Q751 HydrophobicContact CE1-CB 4.2Å; F452-Q751 HydrophobicContact CE1-CG 4.37Å; F452-Q751 HydrophobicContact CZ-CB 4.21Å; F452-I752 HydrophobicContact CE2-CD1 4.3Å; F452-I752 HydrophobicContact CE2-CG1 4.45Å; F452-I752 HydrophobicContact CZ-CD1 4.38Å; F452-I752 HydrophobicContact CZ-CG1 4.22Å
453L96.4Very high84.9Confident0 Ų025.6 Ų25.60%014%0.14CC..EExtended strand (participates in β ladder)trans-94.9109.4174.8-52.9-178.9000108A334 L451 L458 V535 F536 I538 L549A334-L453 HydrophobicContact CB-CD2 4.13Å; L451-L453 HydrophobicContact CD1-CD2 3.87Å; L451-L453 HydrophobicContact CD2-CD2 3.81Å; L451-L453 HydrophobicContact CD2-CG 4.45Å; L451-L453 HydrophobicContact CG-CD2 3.64Å; L451-L453 HydrophobicContact CG-CG 4.2Å; L453-L458 HydrophobicContact CD1-CD2 3.7Å; L453-V535 HydrophobicContact CD1-CG1 3.96Å; L453-V535 HydrophobicContact CG-CG1 4.28Å; L453-F536 PolarHBondContact N-O 2.98Å; L453-I538 PolarHBondContact O-N 3.26Å; L453-L549 HydrophobicContact CD1-CD1 3.69Å
454I94.3Very high86.6Confident2 Ų224 Ų241%0.0114%0.142CC..EExtended strand (participates in β ladder)trans-111.6132.4-17951.1160.8000111L333 A334 H335 S336 S456 I538 Y738 W739L333-I454 HydrophobicContact CD1-CB 4.47Å; L333-I454 HydrophobicContact CD1-CD1 3.8Å; L333-I454 HydrophobicContact CD1-CG1 3.79Å; L333-I454 HydrophobicContact CD1-CG2 3.84Å; L333-I454 HydrophobicContact CD2-CD1 4.3Å; L333-I454 HydrophobicContact CG-CD1 4.06Å; L333-I454 HydrophobicContact CG-CG1 4.36Å; A334-I454 WeakPolarHBondContact O-CG1 3.49Å; A334-I454 PolarHBondContact O-N 3.27Å; H335-I454 WeakPolarHBondContact CA-O 3.38Å; H335-I454 HydrophobicContact CB-CD1 3.9Å; H335-I454 HydrophobicContact CB-CG1 3.8Å; H335-I454 PolarHBondContact CD2-O 2.83Å; S336-I454 PolarHBondContact N-O 2.92Å; I454-S456 VanDerWaalsContact C-N 3.26Å; I454-S456 PolarHBondContact O-N 3.44Å; I454-I538 WeakPolarHBondContact CA-O 3.32Å; I454-I538 HydrophobicContact CG2-CB 3.96Å; I454-I538 HydrophobicContact CG2-CD1 4.08Å; I454-I538 HydrophobicContact CG2-CG2 4.47Å; I454-Y738 HydrophobicContact CB-CD1 4.11Å; I454-Y738 HydrophobicContact CB-CG 4.14Å; I454-Y738 HydrophobicContact CD1-CG 4.39Å; I454-Y738 HydrophobicContact CG2-CD1 4.3Å; I454-W739 HydrophobicContact CD1-CD2 4.5Å; I454-W739 HydrophobicContact CD1-CE3 4.1Å; I454-W739 HydrophobicContact CD1-CH2 3.87Å; I454-W739 HydrophobicContact CD1-CZ2 4.27Å; I454-W739 HydrophobicContact CD1-CZ3 3.76Å
455G91.4Very high88Confident0 Ų024.8 Ų24.80%014%0.143CC..SBendtrans58.638179.500000112.8S336 I538 D543 H735S336-G455 WeakPolarHBondContact CA-O 3.32Å; G455-I538 PolarHBondContact N-O 2.88Å; G455-I538 VanDerWaalsContact N-O 3.1Å; G455-D543 WeakPolarHBondContact CA-OD2 3.3Å; G455-H735 PolarHBondContact O-CE1 2.9Å; G455-H735 VanDerWaalsContact O-CE1 3.25Å
456S92.9Very high88.4Confident1 Ų130.3 Ų30.31%0.00717%0.171CC..  trans-88.4128-162.7-177.30000113.5S339 I454 L458 V545 A546 Y547S339-S456 WeakPolarHBondContact CB-OG 3.4Å; I454-S456 VanDerWaalsContact C-N 3.26Å; I454-S456 PolarHBondContact O-N 3.44Å; S456-L458 PolarHBondContact O-N 3.11Å; S456-L458 WeakPolarHBondContact OG-CB 3.49Å; S456-L458 PolarHBondContact OG-N 3.05Å; S456-V545 CarbonylContact C-O 3.56Å; S456-A546 WeakPolarHBondContact O-CA 3.33Å; S456-Y547 PolarHBondContact O-N 2.89Å
457P93Very high88Confident27 Ų2730 Ų3018%0.17517%0.168CC..  trans-82.67.2169.434.8-34.4000113.2S336 V340 A459 L460 F461 V545S336-P457 WeakPolarHBondContact O-CD 3.4Å; V340-P457 HydrophobicContact CG2-CG 3.96Å; P457-A459 VanDerWaalsContact C-N 3.29Å; P457-A459 PolarHBondContact O-N 3Å; P457-L460 WeakPolarHBondContact O-CB 3.42Å; P457-L460 PolarHBondContact O-N 3.18Å; P457-L460 VanDerWaalsContact O-N 3.09Å; P457-F461 PolarHBondContact O-N 3.18Å; P457-V545 VanDerWaalsContact CA-O 3.25Å; P457-V545 WeakPolarHBondContact CA-O 3.45Å; P457-V545 HydrophobicContact CB-CG1 3.96Å; P457-V545 WeakPolarHBondContact CB-O 3.38Å; P457-V545 HydrophobicContact CG-CG1 4.12Å
458L92.7Very high86.6Confident0 Ų031.1 Ų31.10%018%0.181CC..Hα-helixtrans-55.2-39.2-169.6177.462.5000113.6V340 H343 L453 S456 L460 F461 I462 L526 L549V340-L458 HydrophobicContact CG2-CB 4.44Å; V340-L458 HydrophobicContact CG2-CD1 4.4Å; H343-L458 HydrophobicContact CB-CD1 3.58Å; H343-L458 HydrophobicContact CB-CD2 3.89Å; H343-L458 HydrophobicContact CB-CG 4.42Å; L453-L458 HydrophobicContact CD1-CD2 3.7Å; S456-L458 PolarHBondContact O-N 3.11Å; S456-L458 WeakPolarHBondContact OG-CB 3.49Å; S456-L458 PolarHBondContact OG-N 3.05Å; L458-L460 PolarHBondContact O-N 3.3Å; L458-F461 HydrophobicContact CD1-CD1 4.35Å; L458-F461 WeakPolarHBondContact O-CB 3.36Å; L458-F461 PolarHBondContact O-N 3.29Å; L458-I462 HydrophobicContact CD1-CD1 3.84Å; L458-I462 HydrophobicContact CD1-CG1 3.88Å; L458-I462 HydrophobicContact CD2-CD1 4.34Å; L458-I462 HydrophobicContact CG-CD1 3.74Å; L458-I462 HydrophobicContact CG-CG1 4.23Å; L458-I462 WeakPolarHBondContact O-CG1 3.49Å; L458-I462 PolarHBondContact O-N 2.84Å; L458-L526 HydrophobicContact CD2-CD2 4.17Å; L458-L549 HydrophobicContact CB-CD2 4.14Å; L458-L549 HydrophobicContact CD2-CD1 4.05Å; L458-L549 HydrophobicContact CD2-CD2 4.05Å; L458-L549 HydrophobicContact CG-CD2 3.9Å
459A90Very high84.8Confident5 Ų533.4 Ų33.44%0.04120%0.196CC..Hα-helixtrans-62.9-43.3179.800000112.3P457 F461 I462 S463 R548 L549 I552P457-A459 VanDerWaalsContact C-N 3.29Å; P457-A459 PolarHBondContact O-N 3Å; A459-F461 VanDerWaalsContact C-N 3.33Å; A459-I462 PolarHBondContact O-N 3.03Å; A459-S463 WeakPolarHBondContact O-CB 3.34Å; A459-S463 PolarHBondContact O-N 3.47Å; A459-S463 PolarHBondContact O-OG 3.37Å; A459-R548 WeakPolarHBondContact CB-O 3.44Å; A459-L549 HydrophobicContact CB-CD2 3.7Å; A459-L549 HydrophobicContact CB-CG 4.42Å; A459-I552 HydrophobicContact CB-CG1 4.04Å
460L90Very high82.6Confident78 Ų7835.3 Ų35.341%0.40821%0.207SC..Hα-helixtrans-64-43.1175.3-179.264.7000110.3P457 L458 S463 V464 Y547P457-L460 WeakPolarHBondContact O-CB 3.42Å; P457-L460 PolarHBondContact O-N 3.18Å; P457-L460 VanDerWaalsContact O-N 3.09Å; L458-L460 PolarHBondContact O-N 3.3Å; L460-S463 PolarHBondContact O-N 2.99Å; L460-V464 HydrophobicContact CD1-CG2 4.07Å; L460-V464 HydrophobicContact CG-CG2 4.41Å; L460-V464 VanDerWaalsContact O-CG2 3.3Å; L460-V464 WeakPolarHBondContact O-CG2 3.3Å; L460-V464 PolarHBondContact O-N 3Å; L460-Y547 HydrophobicContact CB-CD1 4.48Å; L460-Y547 HydrophobicContact CB-CD2 4.06Å; L460-Y547 HydrophobicContact CB-CE2 4.13Å; L460-Y547 HydrophobicContact CB-CG 4.25Å; L460-Y547 HydrophobicContact CD2-CE2 3.91Å
461F89.1Confident79.9Confident32 Ų3240.9 Ų40.914%0.1424%0.242CC..Hα-helixtrans-59.7-47.2177177.9-94000112.6Y292 V340 P457 L458 A459 S463 V464 N465 L467Y292-F461 HydrophobicContact CD1-CE2 4.45Å; Y292-F461 HydrophobicContact CE1-CE2 4.15Å; Y292-F461 HydrophobicContact CE1-CZ 4.09Å; V340-F461 HydrophobicContact CG1-CB 4.22Å; V340-F461 HydrophobicContact CG1-CD1 3.42Å; V340-F461 VanDerWaalsContact CG1-CD1 3.42Å; V340-F461 HydrophobicContact CG1-CD2 3.68Å; V340-F461 HydrophobicContact CG1-CE1 3.51Å; V340-F461 HydrophobicContact CG1-CE2 3.78Å; V340-F461 HydrophobicContact CG1-CG 3.49Å; V340-F461 VanDerWaalsContact CG1-CG 3.49Å; V340-F461 HydrophobicContact CG1-CZ 3.68Å; V340-F461 HydrophobicContact CG2-CB 4.31Å; V340-F461 HydrophobicContact CG2-CG 4.43Å; P457-F461 PolarHBondContact O-N 3.18Å; L458-F461 HydrophobicContact CD1-CD1 4.35Å; L458-F461 WeakPolarHBondContact O-CB 3.36Å; L458-F461 PolarHBondContact O-N 3.29Å; A459-F461 VanDerWaalsContact C-N 3.33Å; F461-S463 VanDerWaalsContact C-N 3.32Å; F461-S463 PolarHBondContact O-N 3.46Å; F461-V464 PolarHBondContact O-N 3.46Å; F461-N465 VanDerWaalsContact CD2-ND2 3.3Å; F461-N465 WeakPolarHBondContact CD2-ND2 3.5Å; F461-N465 VanDerWaalsContact CE2-ND2 3.27Å; F461-N465 WeakPolarHBondContact CE2-ND2 3.49Å; F461-N465 PolarHBondContact O-N 2.93Å; F461-N465 PolarHBondContact O-ND2 3.04Å; F461-L467 HydrophobicContact CD1-CD1 4.27Å; F461-L467 HydrophobicContact CE1-CD1 3.7Å
462I87.4Confident77.2Confident10 Ų1050 Ų505%0.05128%0.278CS..Hα-helixtrans-61.1-44.5177.3-69169.7000110.2L458 A459 V464 N465 L467 L526 L549 I552L458-I462 HydrophobicContact CD1-CD1 3.84Å; L458-I462 HydrophobicContact CD1-CG1 3.88Å; L458-I462 HydrophobicContact CD2-CD1 4.34Å; L458-I462 HydrophobicContact CG-CD1 3.74Å; L458-I462 HydrophobicContact CG-CG1 4.23Å; L458-I462 WeakPolarHBondContact O-CG1 3.49Å; L458-I462 PolarHBondContact O-N 2.84Å; A459-I462 PolarHBondContact O-N 3.03Å; I462-V464 PolarHBondContact O-N 3.4Å; I462-N465 PolarHBondContact O-N 3.49Å; I462-L467 HydrophobicContact CG2-CB 4.36Å; I462-L467 VanDerWaalsContact CG2-O 3.31Å; I462-L467 WeakPolarHBondContact CG2-O 3.49Å; I462-L467 PolarHBondContact O-N 2.91Å; I462-L526 HydrophobicContact CD1-CD1 4.1Å; I462-L549 HydrophobicContact CD1-CD2 4.32Å; I462-I552 HydrophobicContact CG2-CG2 3.75Å
463S85.8Confident74Confident60 Ų6057.5 Ų57.542%0.4232%0.316SS..Hα-helixtrans-64.2-36.2-178.1-55.70000113.4A459 L460 F461 I552A459-S463 WeakPolarHBondContact O-CB 3.34Å; A459-S463 PolarHBondContact O-N 3.47Å; A459-S463 PolarHBondContact O-OG 3.37Å; L460-S463 PolarHBondContact O-N 2.99Å; F461-S463 VanDerWaalsContact C-N 3.32Å; F461-S463 PolarHBondContact O-N 3.46Å; S463-I552 WeakPolarHBondContact OG-CD1 3.34Å
464V84.5Confident70.7Confident103 Ų10363.6 Ų63.662%0.62435%0.349SS*.Hα-helixtrans-82.1-26.9-176.8171.20000112.4L460 F461 I462L460-V464 HydrophobicContact CD1-CG2 4.07Å; L460-V464 HydrophobicContact CG-CG2 4.41Å; L460-V464 VanDerWaalsContact O-CG2 3.3Å; L460-V464 WeakPolarHBondContact O-CG2 3.3Å; L460-V464 PolarHBondContact O-N 3Å; F461-V464 PolarHBondContact O-N 3.46Å; I462-V464 PolarHBondContact O-N 3.4Å
465N81.3Confident67.7Low71 Ų7169.5 Ų69.538%0.3839%0.387SS..THydrogen-bonded Turntrans-98.211.5-175.5-69-75.9000113.7F461 I462 L467F461-N465 VanDerWaalsContact CD2-ND2 3.3Å; F461-N465 WeakPolarHBondContact CD2-ND2 3.5Å; F461-N465 VanDerWaalsContact CE2-ND2 3.27Å; F461-N465 WeakPolarHBondContact CE2-ND2 3.49Å; F461-N465 PolarHBondContact O-N 2.93Å; F461-N465 PolarHBondContact O-ND2 3.04Å; I462-N465 PolarHBondContact O-N 3.49Å; N465-L467 HydrophobicContact CB-CD1 3.99Å; N465-L467 HydrophobicContact CB-CG 3.8Å; N465-L467 PolarHBondContact O-N 3.5Å
466D67Low64.9Low146 Ų14673.5 Ų73.578%0.78142%0.415SS*.THydrogen-bonded Turntrans46.833.9-175.8-67.7-36.1000113.5C468D466-C468 PolarHBondContact O-N 2.75Å
467L63.6Low62Low32 Ų3281.2 Ų81.217%0.16846%0.456CS..  trans-77.794.9178.1-62173.4000107.5F461 I462 N465F461-L467 HydrophobicContact CD1-CD1 4.27Å; F461-L467 HydrophobicContact CE1-CD1 3.7Å; I462-L467 HydrophobicContact CG2-CB 4.36Å; I462-L467 VanDerWaalsContact CG2-O 3.31Å; I462-L467 WeakPolarHBondContact CG2-O 3.49Å; I462-L467 PolarHBondContact O-N 2.91Å; N465-L467 HydrophobicContact CB-CD1 3.99Å; N465-L467 HydrophobicContact CB-CG 3.8Å; N465-L467 PolarHBondContact O-N 3.5Å
468C53.2Low59Low80 Ų8084.9 Ų84.954%0.54148%0.482SS..  trans-54.8132.4172-69.70000109.6R347 D466R347-C468 PolarHBondContact NH2-O 3.04Å; D466-C468 PolarHBondContact O-N 2.75Å
469P52.2Low56.1Low49 Ų4992.3 Ų92.332%0.31852%0.522SS..  trans-54.4148.1163.323.6-29.8000108.5T471 L553P469-T471 PolarHBondContact O-N 3.31Å; P469-T471 PolarHBondContact O-OG1 3.37Å; P469-L553 HydrophobicContact CB-CD2 4.34Å
470P45.4Very low53.3Low45 Ų4597.7 Ų97.729%0.29256%0.56SS.*  trans-53.7101.7-168.121.8-32.8000111.4
471T35.7Very low50.6Low117 Ų117102.8 Ų102.872%0.71859%0.586SS**  trans-100.9101.4172.4-0.40000105.8P469P469-T471 PolarHBondContact O-N 3.31Å; P469-T471 PolarHBondContact O-OG1 3.37Å
472Y38.1Very low48Very low193 Ų193110.3 Ų110.376%0.75762%0.622SS**PPolyproline II helixtrans-77.2128.8175.3-90.4-84.8000110.3N474Y472-N474 PolarHBondContact O-N 3.21Å
473I29.8Very low45.5Very low156 Ų156114.6 Ų114.680%0.865%0.653SS**PPolyproline II helixtrans-58122169.6-63.1165.6000107.9P475I473-P475 WeakPolarHBondContact O-CD 3.48Å
474N27Very low43.1Very low129 Ų129118.5 Ų118.569%0.6967%0.669SS**PPolyproline II helixtrans-53.6121.7169.1-100.6-16.5000109.5Y472 S476Y472-N474 PolarHBondContact O-N 3.21Å; N474-S476 PolarHBondContact O-N 3.02Å
475P30.6Very low40.9Very low125 Ų125121.6 Ų121.681%0.81268%0.676SS**THydrogen-bonded Turntrans-78.568.3167.633-30.1000108.3I473I473-P475 WeakPolarHBondContact O-CD 3.48Å
476S34.3Very low38.7Very low84 Ų84122.9 Ų122.959%0.58769%0.691SS**THydrogen-bonded Turntrans-137.73.7173.7580000115.1N474N474-S476 PolarHBondContact O-N 3.02Å
477N31.6Very low37.3Very low163 Ų163120.4 Ų120.487%0.87269%0.685SS**  trans-133.652.4173.9-88.4-8.7000112.6
478S30Very low36Very low104 Ų104125.8 Ų125.873%0.72771%0.714SS**  trans-119.166.6165.764.60000109.8
479N31.7Very low35.3Very low156 Ų156129.2 Ų129.283%0.83473%0.727SS**  trans-149.2108.9163.5-87.7-25.4000107.3
480S31.2Very low34.4Very low119 Ų119134.8 Ų134.883%0.83275%0.748SS**  trans122.276.8167.769.80000114.7
481L32.5Very low34Very low184 Ų184140 Ų14096%0.96377%0.769SS**  trans-123.781.2148.8-82.6163.2000106.5
482Q35.9Very low33.9Very low190 Ų190141.6 Ų141.689%0.88877%0.773SS**  trans-100.3123.1154.9-92.7-177.9-11.600107.3
483S33.2Very low33.8Very low101 Ų101137.2 Ų137.271%0.70677%0.77SS**  trans-48.1135.1167.648.90000112.1
484N35.8Very low33.8Very low142 Ų142136 Ų13676%0.75977%0.77SS**  177.8125.5121.6-84.5-21.1000111.9
485H38.2Very low34.1Very low168 Ų168135.1 Ų135.178%0.77877%0.774SS**  trans44.5110.2137.2-85.7-70.7000122.1
486S35.1Very low34.1Very low98 Ų98139.7 Ų139.769%0.68578%0.777SS**  62.8136.3125.5580000123.2
487S38Very low33.9Very low93 Ų93140.2 Ų140.265%0.6578%0.781SS**  trans77.8107.4151.451.70000120
488D36.4Very low33.9Very low146 Ų146140.4 Ų140.478%0.78178%0.776SS**  82.9136.4121.8-52.4-21.7000121.7
489D39Very low33.9Very low151 Ų151140.7 Ų140.781%0.80778%0.778SS**  trans87.497.4155.1-57.4-25.1000121.6
490E33.9Very low33.9Very low166 Ų166137 Ų13778%0.77678%0.777SS**  47.5137.1115.8-102-170.4-16300123.6
491Q37.1Very low33.8Very low156 Ų156138.3 Ų138.373%0.72977%0.774SS**  trans97.3101.1149-70.1175.824.800121.3
492D32Very low33.8Very low150 Ų150137.6 Ų137.680%0.80277%0.765SS**  66.7135.2118.9-84.4-21.3000124.6
493S36.2Very low33.6Very low100 Ų100133.4 Ų133.470%0.69976%0.757SS**  trans94.898.2138.465.70000121.9
494T30Very low33.4Very low130 Ų130135.3 Ų135.380%0.79876%0.758SS**  37.7124.9124.360.90000121.7
495S34Very low33.1Very low111 Ų111134 Ų13478%0.77676%0.755SS**  162.5129.7104.853.20000115.6
496Y29.6Very low32.8Very low221 Ų221131.9 Ų131.987%0.86776%0.759SS**  trans35.1120.3137.6-79.7-87.5000123.8
497S30.5Very low32.5Very low96 Ų96132.8 Ų132.867%0.67176%0.76SS**  113.5136.8107.572.40000122.4
498H31.4Very low32.3Very low167 Ų167135.2 Ų135.277%0.77377%0.772SS**  trans88.1103.1136.5-97.8-75.9000122.7
499S30.9Very low31.9Very low109 Ų109132.9 Ų132.976%0.76277%0.767SS**  62.2134.6124.161.40000123.3
500G32Very low31.5Very low78 Ų78132 Ų13280%0.80477%0.767SS**  trans-176.5105.6154.600000113.9
501L28Very low31.3Very low148 Ų148129.3 Ų129.378%0.77577%0.766SS**  trans-73.4154.7166.6-94.686.2000111.5
502H32.4Very low30.9Very low168 Ų168131.2 Ų131.278%0.77877%0.773SS**  158.8153114.3-88-67.7000115.5
503S32.4Very low30.7Very low103 Ų103132.2 Ų132.272%0.7277%0.772SS**  trans102105.3152.9-161.70000116.4
504I28.5Very low30.3Very low140 Ų140133.2 Ų133.272%0.71877%0.774SS**  93.7104.356.6-69.4173000113.4
505T28.5Very low30.1Very low116 Ų116130.8 Ų130.871%0.71278%0.775SS**  trans77.7123.4132.4-43.40000122.5
506S33.8Very low29.9Very low123 Ų123132.6 Ų132.686%0.8677%0.774SS**  -170.5141.2122.829.70000113.4
507T28Very low29.9Very low116 Ų116129.2 Ų129.271%0.71277%0.771SS**  trans-84.7149.3-172.346.20000113.9
508T32.8Very low30.1Very low144 Ų144131.7 Ų131.788%0.88378%0.776SS**  172.8148.911730.30000113.7
509S28.6Very low30.5Very low97 Ų97130.4 Ų130.468%0.67878%0.775SS**  trans-71.6148.8-170.848.50000117.2
510T31.4Very low31.2Very low134 Ų134132.2 Ų132.282%0.82277%0.771SS**  168.2136.3112.138.30000114.9
511S29.5Very low32.3Very low108 Ų108132.7 Ų132.776%0.75576%0.759SS**  trans65.5102.3152.776.10000124.4
512K27.7Very low33.8Very low197 Ų197128.1 Ų128.186%0.85774%0.735SS**  63118.5118.4-69.3-179179.3177.80122
513H28.9Very low35.1Very low170 Ų170124.7 Ų124.779%0.78773%0.728SS**  trans88.563.6159.7-74.1-70.1000119.7G515H513-G515 PolarHBondContact O-N 3.28Å
514T28Very low36.7Very low122 Ų122121.7 Ų121.775%0.74870%0.702SS**  trans3778.3130.463.70000117.9
515G25.1Very low38.5Very low79 Ų79116.3 Ų116.381%0.81468%0.679SS**  trans-67.8121.7147.600000108.9H513H513-G515 PolarHBondContact O-N 3.28Å
516I31Very low40.7Very low148 Ų148111.4 Ų111.476%0.75965%0.648SS**  trans-77.9120.4169.7-63.8170.4000105.8L518I516-L518 PolarHBondContact O-N 3.09Å
517D28.9Very low42.8Very low150 Ų150106.1 Ų106.180%0.80261%0.61SS**  trans-51114.3172.2-89.6-37.7000109.8D519D517-D519 PolarHBondContact O-N 2.67Å
518L35.3Very low44.9Very low148 Ų148102.2 Ų102.278%0.77559%0.587SS**THydrogen-bonded Turntrans-8013.1-173.1-79.1163.8000113.7I516I516-L518 PolarHBondContact O-N 3.09Å
519D38.7Very low46.6Very low140 Ų140101 Ų10175%0.74957%0.567SS**THydrogen-bonded Turntrans-123.28.5-167.6-104.5-7.8000116.3D517 T521D517-D519 PolarHBondContact O-N 2.67Å; D519-T521 PolarHBondContact O-N 2.73Å
520E45.9Very low48.8Very low148 Ų148102.3 Ų102.369%0.69256%0.561SS**  trans-78.583.6169.8-82.1-157.5153.200111.7D522 K715E520-D522 PolarHBondContact O-N 2.74Å; E520-K715 IonicContact OE1-NZ 3.67Å; E520-K715 IonicContact OE2-NZ 2.72Å; E520-K715 PolarHBondContact OE2-NZ 3.07Å
521T54.7Low51.2Low87 Ų8796.7 Ų96.753%0.53453%0.528SS..  trans-68.6106.3157.753.20000108.6D519 P523D519-T521 PolarHBondContact O-N 2.73Å; T521-P523 WeakPolarHBondContact O-CD 3.49Å; T521-P523 VanDerWaalsContact O-N 3.12Å
522D60.6Low53.9Low52 Ų5291.9 Ų91.928%0.27849%0.494SS..  trans-61.5109.9170.5-177.9-2.4000108.7E520 E524 A525E520-D522 PolarHBondContact O-N 2.74Å; D522-E524 PolarHBondContact O-N 2.89Å; D522-E524 VanDerWaalsContact O-N 3.08Å; D522-E524 PolarHBondContact OD1-N 2.82Å; D522-A525 HydrophobicContact CB-CB 4.05Å; D522-A525 VanDerWaalsContact O-CB 3.3Å; D522-A525 WeakPolarHBondContact O-CB 3.29Å; D522-A525 PolarHBondContact O-N 2.85Å
523P58Low56.6Low97 Ų9787.8 Ų87.863%0.6347%0.474SS*.THydrogen-bonded Turntrans-65.5-13.9-174.227.9-34.6000112.6T521T521-P523 WeakPolarHBondContact O-CD 3.49Å; T521-P523 VanDerWaalsContact O-N 3.12Å
524E66.1Low59.5Low39 Ų3982.9 Ų82.918%0.18245%0.448CS..THydrogen-bonded Turntrans-98.80.3179.9-61.1172.1-175.300111.9D522 L554 K712 L714D522-E524 PolarHBondContact O-N 2.89Å; D522-E524 VanDerWaalsContact O-N 3.08Å; D522-E524 PolarHBondContact OD1-N 2.82Å; E524-L554 HydrophobicContact CG-CD2 4.38Å; E524-L554 WeakPolarHBondContact OE2-CD1 3.43Å; E524-K712 WeakPolarHBondContact OE1-CD 3.43Å; E524-L714 HydrophobicContact CB-CD2 4.26Å
525A67.7Low62.5Low27 Ų2778 Ų7822%0.22342%0.418CS..  trans-72.5136.117600000111.6D522 F527D522-A525 HydrophobicContact CB-CB 4.05Å; D522-A525 VanDerWaalsContact O-CB 3.3Å; D522-A525 WeakPolarHBondContact O-CB 3.29Å; D522-A525 PolarHBondContact O-N 2.85Å; A525-F527 WeakPolarHBondContact CB-O 3.42Å; A525-F527 PolarHBondContact O-N 2.94Å
526L74.2Confident65.8Low14 Ų1474.6 Ų74.67%0.07338%0.381CS..SBendtrans-60-30177.6-173.563.9000112.6L458 I462 V535 L549 L553L458-L526 HydrophobicContact CD2-CD2 4.17Å; I462-L526 HydrophobicContact CD1-CD1 4.1Å; L526-V535 HydrophobicContact CD2-CG1 4.39Å; L526-L549 HydrophobicContact CD2-CD1 4.12Å; L526-L553 HydrophobicContact CB-CD2 4.47Å; L526-L553 HydrophobicContact CD1-CD2 4.24Å
527F77.8Confident68.8Low11 Ų1167.5 Ų67.55%0.04834%0.344CS..SBendtrans-134.4156175.6-49.9-69.5000110.1H343 L346 L451 A525 C532 V535H343-F527 HydrophobicContact CB-CE1 4.22Å; H343-F527 HydrophobicContact CB-CZ 4.11Å; H343-F527 AromaticContact CD2-CE1 3.6Å; H343-F527 AromaticContact CD2-CZ 3.79Å; L346-F527 HydrophobicContact CB-CD1 3.62Å; L346-F527 HydrophobicContact CB-CE1 3.8Å; L346-F527 HydrophobicContact CB-CG 4.27Å; L346-F527 HydrophobicContact CD1-CD1 4.22Å; L346-F527 HydrophobicContact CD1-CD2 4.22Å; L346-F527 HydrophobicContact CD1-CE1 4.2Å; L346-F527 HydrophobicContact CD1-CE2 4.23Å; L346-F527 HydrophobicContact CD1-CG 4.24Å; L346-F527 HydrophobicContact CD1-CZ 4.2Å; L451-F527 HydrophobicContact CD2-CD2 4.4Å; L451-F527 HydrophobicContact CD2-CE2 3.58Å; L451-F527 HydrophobicContact CD2-CZ 4Å; A525-F527 WeakPolarHBondContact CB-O 3.42Å; A525-F527 PolarHBondContact O-N 2.94Å; F527-C532 HydrophobicContact CD2-CB 4.42Å; F527-V535 HydrophobicContact CD2-CG2 3.43Å; F527-V535 VanDerWaalsContact CD2-CG2 3.43Å; F527-V535 HydrophobicContact CE2-CG1 4.28Å; F527-V535 HydrophobicContact CE2-CG2 3.61Å
528S72.2Confident71.9Confident35 Ų3560.4 Ų60.425%0.24531%0.306CS..  trans-58.1140.4166.8179.10000110.4F530 A531 C532S528-F530 PolarHBondContact O-N 2.81Å; S528-F530 VanDerWaalsContact O-N 3.15Å; S528-F530 WeakPolarHBondContact OG-CD2 3.41Å; S528-F530 PolarHBondContact OG-N 3.46Å; S528-A531 WeakPolarHBondContact O-CB 3.27Å; S528-A531 PolarHBondContact O-N 3.12Å; S528-C532 PolarHBondContact O-N 3.3Å; S528-C532 VanDerWaalsContact O-N 3.14Å
529Y69.2Low74.6Confident118 Ų11854 Ų5446%0.46327%0.272SS..THydrogen-bonded Turntrans-52.3-37.1175.5-178.8-99000112Q447 A531 C532 R533Q447-Y529 PolarHBondContact NE2-O 2.81Å; Y529-A531 PolarHBondContact O-N 2.82Å; Y529-C532 CarbonylContact O-C 3.43Å; Y529-C532 PolarHBondContact O-N 3.13Å; Y529-R533 HydrophobicContact CE2-CB 4.02Å; Y529-R533 HydrophobicContact CE2-CG 3.88Å
530F74.5Confident76.9Confident125 Ų12547.5 Ų47.555%0.54824%0.237SC..THydrogen-bonded Turntrans-62.3-26.6177.8-63.7-70.4000113.6Q447 S528Q447-F530 WeakPolarHBondContact CB-O 3.5Å; Q447-F530 WeakPolarHBondContact CG-O 3.45Å; S528-F530 PolarHBondContact O-N 2.81Å; S528-F530 VanDerWaalsContact O-N 3.15Å; S528-F530 WeakPolarHBondContact OG-CD2 3.41Å; S528-F530 PolarHBondContact OG-N 3.46Å
531A80.7Confident78.6Confident15 Ų1543.4 Ų43.412%0.12423%0.225CC..THydrogen-bonded Turntrans-85.6-45.5175.800000111.4L346 T350 L448 S528 Y529L346-A531 HydrophobicContact CD2-CB 4.35Å; T350-A531 HydrophobicContact CG2-CB 4.13Å; L448-A531 PolarHBondContact N-O 3.16Å; S528-A531 WeakPolarHBondContact O-CB 3.27Å; S528-A531 PolarHBondContact O-N 3.12Å; Y529-A531 PolarHBondContact O-N 2.82Å
532C85.8Confident79.8Confident7 Ų741 Ų415%0.04721%0.207CC..BIsolated β-bridgetrans-150.9128.5-177.9-171.60000111.8L346 L448 F527 S528 Y529 R534L346-C532 HydrophobicContact CD1-CB 4.42Å; L448-C532 HydrophobicContact CB-CB 4.2Å; L448-C532 CarbonylContact O-C 3.56Å; L448-C532 WeakPolarHBondContact O-CA 3.38Å; F527-C532 HydrophobicContact CD2-CB 4.42Å; S528-C532 PolarHBondContact O-N 3.3Å; S528-C532 VanDerWaalsContact O-N 3.14Å; Y529-C532 CarbonylContact O-C 3.43Å; Y529-C532 PolarHBondContact O-N 3.13Å; C532-R534 PolarHBondContact SG-O 3.45Å
533R85.4Confident81.1Confident112 Ų11238.8 Ų38.842%0.42320%0.195SC..SBendtrans-74.4-36.4-179.7-61.5-176.3-176.8168.21.5113.3Q447 L448 Y529Q447-R533 HydrophobicContact CG-CG 4.06Å; Q447-R533 VanDerWaalsContact OE1-CZ 3.3Å; L448-R533 PolarHBondContact O-N 3.38Å; Y529-R533 HydrophobicContact CE2-CB 4.02Å; Y529-R533 HydrophobicContact CE2-CG 3.88Å
534R89.3Confident82.4Confident67 Ų6738 Ų3825%0.25319%0.19SC..  trans-146.5136.2-178.1-66.7-168.2-62.5-179.6-7.6112.2A449 N450 L451 C532 F536 Q751A449-R534 PolarHBondContact O-N 3.32Å; N450-R534 CarbonylContact C-O 3.5Å; N450-R534 WeakPolarHBondContact CA-O 3.22Å; N450-R534 PolarHBondContact OD1-NE 2.85Å; N450-R534 PolarHBondContact OD1-NH2 3.5Å; L451-R534 PolarHBondContact N-O 3Å; C532-R534 PolarHBondContact SG-O 3.45Å; R534-F536 HydrophobicContact CB-CE2 3.77Å; R534-F536 HydrophobicContact CB-CZ 3.93Å; R534-Q751 PolarHBondContact NH1-O 3.39Å; R534-Q751 VanDerWaalsContact NH1-OE1 3.14Å; R534-Q751 PolarHBondContact NH2-O 3.46Å
535V91.6Very high83.3Confident19 Ų1938.6 Ų38.612%0.11520%0.196CC..EExtended strand (participates in β ladder)trans-117.7137.9174.5-174.20000109L451 L453 L526 F527 I718L451-V535 HydrophobicContact CB-CG2 4.5Å; L451-V535 CarbonylContact O-C 3.57Å; L451-V535 WeakPolarHBondContact O-CA 3.42Å; L453-V535 HydrophobicContact CD1-CG1 3.96Å; L453-V535 HydrophobicContact CG-CG1 4.28Å; L526-V535 HydrophobicContact CD2-CG1 4.39Å; F527-V535 HydrophobicContact CD2-CG2 3.43Å; F527-V535 VanDerWaalsContact CD2-CG2 3.43Å; F527-V535 HydrophobicContact CE2-CG1 4.28Å; F527-V535 HydrophobicContact CE2-CG2 3.61Å; V535-I718 HydrophobicContact CG1-CG2 4.36Å
536F93.6Very high84.4Confident7 Ų738 Ų383%0.03119%0.19CC..EExtended strand (participates in β ladder)trans-128.3122176.1-56.2-80.7000109N450 L451 F452 L453 R534 Y720 F747 Q751N450-F536 HydrophobicContact CB-CD2 4.47Å; N450-F536 HydrophobicContact CB-CE2 4.1Å; L451-F536 PolarHBondContact O-N 3.03Å; F452-F536 HydrophobicContact CD1-CB 3.94Å; F452-F536 AromaticContact CD1-CD2 3.66Å; F452-F536 HydrophobicContact CD1-CD2 3.66Å; F452-F536 HydrophobicContact CD1-CG 4.07Å; F452-F536 HydrophobicContact CE1-CB 4.44Å; F452-F536 AromaticContact CE1-CD2 3.47Å; F452-F536 HydrophobicContact CE1-CD2 3.47Å; F452-F536 VanDerWaalsContact CE1-CD2 3.47Å; F452-F536 AromaticContact CE1-CE2 3.91Å; F452-F536 HydrophobicContact CE1-CE2 3.91Å; F452-F536 HydrophobicContact CE1-CG 4.08Å; F452-F536 HydrophobicContact CG-CD2 4.46Å; F452-F536 HydrophobicContact CZ-CD2 4.15Å; F452-F536 HydrophobicContact CZ-CE2 4.26Å; L453-F536 PolarHBondContact N-O 2.98Å; R534-F536 HydrophobicContact CB-CE2 3.77Å; R534-F536 HydrophobicContact CB-CZ 3.93Å; F536-Y720 HydrophobicContact CD1-CD2 4.3Å; F536-Y720 AromaticContact CD1-CE2 3.64Å; F536-Y720 HydrophobicContact CD1-CE2 3.64Å; F536-Y720 HydrophobicContact CE1-CE2 4.38Å; F536-F747 HydrophobicContact CB-CE1 4.17Å; F536-F747 HydrophobicContact CD1-CE1 4.01Å; F536-F747 AromaticContact CD1-CZ 3.7Å; F536-F747 HydrophobicContact CD1-CZ 3.7Å; F536-F747 HydrophobicContact CE1-CZ 4.2Å; F536-F747 HydrophobicContact CG-CE1 4.11Å; F536-F747 HydrophobicContact CG-CZ 4.27Å; F536-Q751 HydrophobicContact CD1-CG 4.37Å; F536-Q751 HydrophobicContact CE1-CG 3.79Å; F536-Q751 HydrophobicContact CE2-CB 4.21Å; F536-Q751 HydrophobicContact CE2-CG 4.19Å; F536-Q751 HydrophobicContact CZ-CB 3.96Å; F536-Q751 HydrophobicContact CZ-CG 3.67Å
537N95Very high85.3Confident0 Ų042 Ų420%021%0.205CC..EExtended strand (participates in β ladder)trans-101107.1172.5-175.444.9000109.7Y547 L549 I718 D719 Y720N537-Y547 PolarHBondContact ND2-O 3.27Å; N537-L549 HydrophobicContact CB-CD1 3.79Å; N537-L549 HydrophobicContact CB-CG 4.28Å; N537-L549 PolarHBondContact ND2-N 3.47Å; N537-I718 HydrophobicContact CB-CG2 4.17Å; N537-I718 PolarHBondContact N-O 3.48Å; N537-D719 PolarHBondContact ND2-OD1 2.82Å; N537-Y720 PolarHBondContact O-N 2.81Å
538I93.5Very high86Confident0 Ų043.7 Ų43.70%021%0.212CC..EExtended strand (participates in β ladder)trans-108.3112.1-176.8-54169.5000108.2F452 L453 I454 G455 I565 Y720 W722 Y738 V744 F747F452-I538 HydrophobicContact CD1-CD1 4.27Å; L453-I538 PolarHBondContact O-N 3.26Å; I454-I538 WeakPolarHBondContact CA-O 3.32Å; I454-I538 HydrophobicContact CG2-CB 3.96Å; I454-I538 HydrophobicContact CG2-CD1 4.08Å; I454-I538 HydrophobicContact CG2-CG2 4.47Å; G455-I538 PolarHBondContact N-O 2.88Å; G455-I538 VanDerWaalsContact N-O 3.1Å; I538-I565 HydrophobicContact CG2-CD1 3.87Å; I538-Y720 WeakPolarHBondContact CA-O 3.36Å; I538-W722 HydrophobicContact CG2-CB 4.45Å; I538-Y738 HydrophobicContact CG2-CE1 4.32Å; I538-V744 HydrophobicContact CD1-CG1 4.38Å; I538-V744 HydrophobicContact CG2-CG2 4.27Å; I538-F747 HydrophobicContact CD1-CD1 3.62Å; I538-F747 HydrophobicContact CD1-CE1 3.7Å; I538-F747 HydrophobicContact CG1-CD1 4.39Å; I538-F747 HydrophobicContact CG1-CE1 4.13Å
539F91.8Very high86.9Confident13 Ų1342.1 Ų42.16%0.05720%0.2CC..EExtended strand (participates in β ladder)trans-125.8160.9179.965.7-83.6000110.9A546 R548 P562 D719 Y720 E721 W722 Y738F539-A546 HydrophobicContact CB-CB 3.53Å; F539-R548 HydrophobicContact CD1-CG 4.37Å; F539-R548 HydrophobicContact CE1-CG 3.62Å; F539-R548 HydrophobicContact CE2-CG 3.97Å; F539-R548 HydrophobicContact CZ-CG 3.36Å; F539-P562 HydrophobicContact CE1-CB 3.96Å; F539-P562 HydrophobicContact CZ-CB 3.62Å; F539-P562 HydrophobicContact CZ-CG 3.72Å; F539-D719 HydrophobicContact CE1-CB 4Å; F539-Y720 WeakPolarHBondContact CD1-O 3.33Å; F539-Y720 PolarHBondContact N-O 2.85Å; F539-E721 HydrophobicContact CE2-CB 4.13Å; F539-E721 HydrophobicContact CE2-CG 4.06Å; F539-E721 HydrophobicContact CZ-CB 3.98Å; F539-E721 HydrophobicContact CZ-CG 4.4Å; F539-W722 PolarHBondContact O-N 3.3Å; F539-Y738 WeakPolarHBondContact CA-OH 3.44Å
540H86.8Confident87.9Confident4 Ų436.5 Ų36.52%0.01918%0.178CC..EExtended strand (participates in β ladder)trans-113.7135.8176.3-176-89.8000107.2Y542 D543 W722 K724 A734 Y738H540-Y542 AromaticContact CE1-CD2 3.48Å; H540-Y542 VanDerWaalsContact CE1-CD2 3.48Å; H540-Y542 WeakPolarHBondContact CE1-CD2 3.36Å; H540-Y542 AromaticContact ND1-CD2 3.99Å; H540-Y542 PolarHBondContact ND1-N 2.8Å; H540-Y542 VanDerWaalsContact ND1-N 3.2Å; H540-Y542 PolarHBondContact O-N 2.85Å; H540-D543 HydrophobicContact CB-CB 4.02Å; H540-D543 WeakPolarHBondContact O-CB 3.17Å; H540-D543 PolarHBondContact O-N 3.06Å; H540-W722 HydrophobicContact CB-CE3 4.11Å; H540-W722 AromaticContact CD2-CD2 3.92Å; H540-W722 AromaticContact CD2-CE3 3.71Å; H540-W722 PolarHBondContact CD2-O 3.34Å; H540-K724 WeakPolarHBondContact NE2-CB 3.25Å; H540-K724 PolarHBondContact NE2-N 2.8Å; H540-K724 VanDerWaalsContact NE2-N 3.2Å; H540-A734 HydrophobicContact CB-CB 4.49Å; H540-Y738 HydrophobicContact CB-CE1 4.48Å; H540-Y738 WeakPolarHBondContact CB-OH 3.14Å; H540-Y738 PolarHBondContact N-OH 3.06Å
541S82.2Confident88.6Confident62 Ų6232.1 Ų32.143%0.43416%0.162SC..THydrogen-bonded Turntrans-59.7-23.6-173.6-170000113.4E721S541-E721 VanDerWaalsContact CB-OE1 3.3Å; S541-E721 WeakPolarHBondContact CB-OE1 3.44Å; S541-E721 PolarHBondContact OG-OE1 3.26Å
542Y80.6Confident88.9Confident37 Ų3734 Ų3415%0.14517%0.17CC..THydrogen-bonded Turntrans-102.92177.6-59.3-83.4000114.4H540 P544 I686 S690 F726H540-Y542 AromaticContact CE1-CD2 3.48Å; H540-Y542 VanDerWaalsContact CE1-CD2 3.48Å; H540-Y542 WeakPolarHBondContact CE1-CD2 3.36Å; H540-Y542 AromaticContact ND1-CD2 3.99Å; H540-Y542 PolarHBondContact ND1-N 2.8Å; H540-Y542 VanDerWaalsContact ND1-N 3.2Å; H540-Y542 PolarHBondContact O-N 2.85Å; Y542-P544 VanDerWaalsContact O-CD 3.25Å; Y542-P544 WeakPolarHBondContact O-CD 3.42Å; Y542-I686 HydrophobicContact CE1-CG2 4.09Å; Y542-S690 WeakPolarHBondContact OH-CB 3.35Å; Y542-S690 PolarHBondContact OH-OG 3.35Å; Y542-F726 HydrophobicContact CD1-CD2 4.28Å; Y542-F726 HydrophobicContact CD1-CE2 4.35Å; Y542-F726 AromaticContact CE1-CD2 3.5Å; Y542-F726 HydrophobicContact CE1-CD2 3.5Å; Y542-F726 AromaticContact CE1-CE2 3.62Å; Y542-F726 HydrophobicContact CE1-CE2 3.62Å; Y542-F726 HydrophobicContact CE2-CD2 4.1Å; Y542-F726 AromaticContact CZ-CD2 3.38Å; Y542-F726 AromaticContact CZ-CE2 3.97Å; Y542-F726 VanDerWaalsContact OH-CD2 3.25Å; Y542-F726 WeakPolarHBondContact OH-CD2 3.4Å
543D86.3Confident88.8Confident6 Ų634.9 Ų34.93%0.03217%0.174CC..  trans-79.2109.9170.7-179.3-7.5000108.5G455 H540 V545 A546 A734 H735 Y738G455-D543 WeakPolarHBondContact CA-OD2 3.3Å; H540-D543 HydrophobicContact CB-CB 4.02Å; H540-D543 WeakPolarHBondContact O-CB 3.17Å; H540-D543 PolarHBondContact O-N 3.06Å; D543-V545 PolarHBondContact O-N 2.95Å; D543-V545 WeakPolarHBondContact OD1-CB 3.5Å; D543-V545 PolarHBondContact OD1-N 2.6Å; D543-A546 HydrophobicContact CB-CB 3.83Å; D543-A546 PolarHBondContact O-N 3.34Å; D543-A734 HydrophobicContact CB-CB 4.24Å; D543-H735 VanDerWaalsContact CG-ND1 3.31Å; D543-H735 IonicContact OD1-CG 3.84Å; D543-H735 IonicContact OD1-ND1 2.7Å; D543-H735 PolarHBondContact OD1-ND1 2.88Å; D543-H735 VanDerWaalsContact OD1-ND1 3.08Å; D543-H735 WeakPolarHBondContact OD2-CA 3.16Å; D543-H735 IonicContact OD2-CE1 3.5Å; D543-H735 IonicContact OD2-CG 2.93Å; D543-H735 IonicContact OD2-ND1 3.32Å; D543-H735 PolarHBondContact OD2-ND1 2.97Å; D543-Y738 WeakPolarHBondContact OD2-CE2 3.43Å; D543-Y738 PolarHBondContact OD2-OH 3.49Å
544P85.3Confident88.8Confident81 Ų8130.7 Ų30.753%0.52616%0.16SC..THydrogen-bonded Turntrans-69.9-12.5-175.531.2-36.4000113.3Y542 I731Y542-P544 VanDerWaalsContact O-CD 3.25Å; Y542-P544 WeakPolarHBondContact O-CD 3.42Å; P544-I731 HydrophobicContact CG-CG2 4.27Å
545V86.1Confident88.6Confident51 Ų5136.5 Ų36.531%0.30919%0.187SC..THydrogen-bonded Turntrans-93.7-20.3179.8-176.40000111.4S456 P457 D543 Y547S456-V545 CarbonylContact C-O 3.56Å; P457-V545 VanDerWaalsContact CA-O 3.25Å; P457-V545 WeakPolarHBondContact CA-O 3.45Å; P457-V545 HydrophobicContact CB-CG1 3.96Å; P457-V545 WeakPolarHBondContact CB-O 3.38Å; P457-V545 HydrophobicContact CG-CG1 4.12Å; D543-V545 PolarHBondContact O-N 2.95Å; D543-V545 WeakPolarHBondContact OD1-CB 3.5Å; D543-V545 PolarHBondContact OD1-N 2.6Å; V545-Y547 WeakPolarHBondContact O-CD2 3.45Å; V545-Y547 WeakPolarHBondContact O-CE2 3.44Å
546A91Very high88.3Confident13 Ų1337.5 Ų37.511%0.10719%0.19CC..  trans-91.8129.3-170.600000112.2S456 F539 D543S456-A546 WeakPolarHBondContact O-CA 3.33Å; F539-A546 HydrophobicContact CB-CB 3.53Å; D543-A546 HydrophobicContact CB-CB 3.83Å; D543-A546 PolarHBondContact O-N 3.34Å
547Y92.7Very high88Confident98 Ų9837.5 Ų37.538%0.38419%0.19SC..  trans-126.3155.1-177.9-68-99.6000112.4S456 L460 N537 V545S456-Y547 PolarHBondContact O-N 2.89Å; L460-Y547 HydrophobicContact CB-CD1 4.48Å; L460-Y547 HydrophobicContact CB-CD2 4.06Å; L460-Y547 HydrophobicContact CB-CE2 4.13Å; L460-Y547 HydrophobicContact CB-CG 4.25Å; L460-Y547 HydrophobicContact CD2-CE2 3.91Å; N537-Y547 PolarHBondContact ND2-O 3.27Å; V545-Y547 WeakPolarHBondContact O-CD2 3.45Å; V545-Y547 WeakPolarHBondContact O-CE2 3.44Å
548R93.4Very high87.6Confident48 Ų4840.2 Ų40.218%0.18121%0.212CC..  trans-75.4135.3175.6-75.5-173.365.9-165.33.6112A459 F539 E550 P551 Y557 I560 D719A459-R548 WeakPolarHBondContact CB-O 3.44Å; F539-R548 HydrophobicContact CD1-CG 4.37Å; F539-R548 HydrophobicContact CE1-CG 3.62Å; F539-R548 HydrophobicContact CE2-CG 3.97Å; F539-R548 HydrophobicContact CZ-CG 3.36Å; R548-E550 IonicContact NH2-OE2 3.73Å; R548-P551 HydrophobicContact CB-CG 4.18Å; R548-Y557 PolarHBondContact NH1-O 2.95Å; R548-Y557 PolarHBondContact NH2-O 3.22Å; R548-I560 VanDerWaalsContact CZ-O 3.3Å; R548-I560 PolarHBondContact NH1-O 3.47Å; R548-I560 PolarHBondContact NH2-O 2.92Å; R548-D719 WeakPolarHBondContact CA-OD2 3.23Å; R548-D719 WeakPolarHBondContact CB-OD2 3.12Å; R548-D719 IonicContact NE-OD2 3.29Å; R548-D719 PolarHBondContact NE-OD2 2.88Å; R548-D719 IonicContact NH2-OD2 2.8Å
549L90.9Very high87.2Confident2 Ų245 Ų451%0.0124%0.237CC..SBendtrans-95.7-32178.7-73.2174.6000113.4L453 L458 A459 I462 L526 N537 P551 I552 L553 D719L453-L549 HydrophobicContact CD1-CD1 3.69Å; L458-L549 HydrophobicContact CB-CD2 4.14Å; L458-L549 HydrophobicContact CD2-CD1 4.05Å; L458-L549 HydrophobicContact CD2-CD2 4.05Å; L458-L549 HydrophobicContact CG-CD2 3.9Å; A459-L549 HydrophobicContact CB-CD2 3.7Å; A459-L549 HydrophobicContact CB-CG 4.42Å; I462-L549 HydrophobicContact CD1-CD2 4.32Å; L526-L549 HydrophobicContact CD2-CD1 4.12Å; N537-L549 HydrophobicContact CB-CD1 3.79Å; N537-L549 HydrophobicContact CB-CG 4.28Å; N537-L549 PolarHBondContact ND2-N 3.47Å; L549-P551 VanDerWaalsContact C-CD 3.43Å; L549-P551 VanDerWaalsContact C-N 3.34Å; L549-I552 WeakPolarHBondContact O-CB 3Å; L549-I552 PolarHBondContact O-N 2.94Å; L549-L553 PolarHBondContact O-N 3.33Å; L549-D719 PolarHBondContact N-OD1 2.84Å; L549-D719 PolarHBondContact N-OD2 3.26Å
550E89.7Confident86.8Confident0 Ų045.5 Ų45.50%024%0.241CC..Hα-helixtrans-56.5-39.8-175.6-66.8175159.400113.7R548 I552 L553 L554 Y557 L714 R717 I718 D719R548-E550 IonicContact NH2-OE2 3.73Å; E550-I552 PolarHBondContact O-N 3.32Å; E550-L553 PolarHBondContact O-N 2.91Å; E550-L553 VanDerWaalsContact O-N 3.1Å; E550-L554 PolarHBondContact O-N 3.39Å; E550-Y557 HydrophobicContact CB-CD1 3.75Å; E550-Y557 HydrophobicContact CB-CG 3.89Å; E550-Y557 HydrophobicContact CG-CD1 4.2Å; E550-Y557 VanDerWaalsContact OE2-CD1 3.24Å; E550-Y557 WeakPolarHBondContact OE2-CD1 3.2Å; E550-L714 HydrophobicContact CB-CD1 4.31Å; E550-L714 HydrophobicContact CG-CD1 3.87Å; E550-R717 WeakPolarHBondContact OE1-CA 3.35Å; E550-R717 IonicContact OE1-CZ 2.75Å; E550-R717 IonicContact OE1-NE 3.78Å; E550-R717 PolarHBondContact OE1-NE 3.09Å; E550-R717 IonicContact OE1-NH2 2.81Å; E550-R717 IonicContact OE2-CZ 3.23Å; E550-R717 IonicContact OE2-NE 3.97Å; E550-R717 PolarHBondContact OE2-NE 2.85Å; E550-R717 IonicContact OE2-NH2 2.63Å; E550-R717 PolarHBondContact OE2-NH2 3.2Å; E550-I718 HydrophobicContact CG-CB 4.25Å; E550-I718 PolarHBondContact OE1-N 2.82Å; E550-D719 WeakPolarHBondContact CB-OD2 3.33Å; E550-D719 HydrophobicContact CG-CB 3.81Å; E550-D719 WeakPolarHBondContact CG-OD2 3.16Å; E550-D719 PolarHBondContact N-OD2 2.91Å; E550-D719 PolarHBondContact OE1-N 2.79Å; E550-D719 VanDerWaalsContact OE1-N 3.14Å
551P89.4Confident86.7Confident32 Ų3247.9 Ų47.921%0.20826%0.258CS..Hα-helixtrans-62.7-22.2176.7-23.435.4000114.6R548 L549 A558R548-P551 HydrophobicContact CB-CG 4.18Å; L549-P551 VanDerWaalsContact C-CD 3.43Å; L549-P551 VanDerWaalsContact C-N 3.34Å; P551-A558 HydrophobicContact CB-CB 4.33Å
552I86.9Confident86.9Confident56 Ų5645.3 Ų45.329%0.28724%0.24SC..Hα-helixtrans-79.7-33176.3-54.8-55.4000111A459 I462 S463 L549 E550A459-I552 HydrophobicContact CB-CG1 4.04Å; I462-I552 HydrophobicContact CG2-CG2 3.75Å; S463-I552 WeakPolarHBondContact OG-CD1 3.34Å; L549-I552 WeakPolarHBondContact O-CB 3Å; L549-I552 PolarHBondContact O-N 2.94Å; E550-I552 PolarHBondContact O-N 3.32Å
553L83.6Confident87.2Confident25 Ų2546.1 Ų46.113%0.13125%0.248CC..Hα-helixtrans-75.8-49.5176.8-59.5176.4000110.9P469 L526 L549 E550 L714 I718P469-L553 HydrophobicContact CB-CD2 4.34Å; L526-L553 HydrophobicContact CB-CD2 4.47Å; L526-L553 HydrophobicContact CD1-CD2 4.24Å; L549-L553 PolarHBondContact O-N 3.33Å; E550-L553 PolarHBondContact O-N 2.91Å; E550-L553 VanDerWaalsContact O-N 3.1Å; L553-L714 HydrophobicContact CB-CD2 4.47Å; L553-L714 HydrophobicContact CD1-CD2 4.39Å; L553-I718 HydrophobicContact CD1-CD1 3.56Å
554L85.1Confident87.1Confident23 Ų2348.5 Ų48.512%0.1226%0.263CS..  trans-137.7113.7-179.7-67.2177.3000110.3E524 E550 H556 Y557 L714E524-L554 HydrophobicContact CG-CD2 4.38Å; E524-L554 WeakPolarHBondContact OE2-CD1 3.43Å; E550-L554 PolarHBondContact O-N 3.39Å; L554-H556 VanDerWaalsContact C-N 3.25Å; L554-H556 PolarHBondContact O-N 3.47Å; L554-Y557 HydrophobicContact CB-CD2 3.76Å; L554-Y557 HydrophobicContact CB-CE2 4.28Å; L554-Y557 HydrophobicContact CD1-CD2 4.27Å; L554-Y557 HydrophobicContact CD1-CE2 3.92Å; L554-Y557 WeakPolarHBondContact O-CB 3.44Å; L554-Y557 PolarHBondContact O-N 2.97Å; L554-L714 HydrophobicContact CD1-CD2 3.78Å; L554-L714 HydrophobicContact CD1-CG 3.81Å; L554-L714 HydrophobicContact CG-CD2 4.26Å
555K85.9Confident86.9Confident189 Ų18945 Ų4582%0.82224%0.239SC*.G310 helixtrans-53.2-35.8-171.6-67.4-175.9179.5179.30114.5Y557 A558K555-Y557 PolarHBondContact O-N 2.82Å; K555-A558 WeakPolarHBondContact O-CB 3.44Å; K555-A558 PolarHBondContact O-N 3.4Å
556H85.3Confident86Confident40 Ų4047.2 Ų47.219%0.18526%0.255CS..G310 helixtrans-65.3-20.7-179.170.2-83.6000113.1L554 A558 N559 E711 K712L554-H556 VanDerWaalsContact C-N 3.25Å; L554-H556 PolarHBondContact O-N 3.47Å; H556-A558 PolarHBondContact O-N 3.35Å; H556-A558 VanDerWaalsContact O-N 3.14Å; H556-N559 PolarHBondContact O-N 3.21Å; H556-E711 IonicContact CD2-OE2 3.46Å; H556-E711 IonicContact CG-OE2 3.64Å; H556-K712 PolarHBondContact CE1-O 2.94Å; H556-K712 PolarHBondContact NE2-O 3.47Å
557Y85.8Confident84.7Confident8 Ų852 Ų523%0.03127%0.274CS..G310 helixtrans-65.8-11.7172.1-84.2-98.6000113.8R548 E550 L554 K555 N559 I560 L714R548-Y557 PolarHBondContact NH1-O 2.95Å; R548-Y557 PolarHBondContact NH2-O 3.22Å; E550-Y557 HydrophobicContact CB-CD1 3.75Å; E550-Y557 HydrophobicContact CB-CG 3.89Å; E550-Y557 HydrophobicContact CG-CD1 4.2Å; E550-Y557 VanDerWaalsContact OE2-CD1 3.24Å; E550-Y557 WeakPolarHBondContact OE2-CD1 3.2Å; L554-Y557 HydrophobicContact CB-CD2 3.76Å; L554-Y557 HydrophobicContact CB-CE2 4.28Å; L554-Y557 HydrophobicContact CD1-CD2 4.27Å; L554-Y557 HydrophobicContact CD1-CE2 3.92Å; L554-Y557 WeakPolarHBondContact O-CB 3.44Å; L554-Y557 PolarHBondContact O-N 2.97Å; K555-Y557 PolarHBondContact O-N 2.82Å; Y557-N559 PolarHBondContact O-N 3.04Å; Y557-I560 HydrophobicContact CD1-CB 4.17Å; Y557-I560 HydrophobicContact CD1-CD1 4.36Å; Y557-I560 HydrophobicContact CD1-CG2 4.26Å; Y557-I560 HydrophobicContact CD2-CD1 4.49Å; Y557-I560 HydrophobicContact CE1-CD1 4.41Å; Y557-I560 HydrophobicContact CE1-CG2 4.4Å; Y557-I560 HydrophobicContact CG-CD1 4.41Å; Y557-I560 PolarHBondContact O-N 3.16Å; Y557-I560 VanDerWaalsContact O-O 3.05Å; Y557-L714 HydrophobicContact CE1-CD1 4.26Å; Y557-L714 HydrophobicContact CE2-CD1 4.19Å; Y557-L714 HydrophobicContact CE2-CG 4.01Å; Y557-L714 PolarHBondContact OH-N 2.8Å
558A87.1Confident83Confident56 Ų5647.7 Ų47.746%0.46326%0.258SS..G310 helixtrans-55.9-36.8166.300000111.6P551 K555 H556P551-A558 HydrophobicContact CB-CB 4.33Å; K555-A558 WeakPolarHBondContact O-CB 3.44Å; K555-A558 PolarHBondContact O-N 3.4Å; H556-A558 PolarHBondContact O-N 3.35Å; H556-A558 VanDerWaalsContact O-N 3.14Å
559N85.8Confident81.3Confident100 Ų10048.6 Ų48.654%0.53527%0.272SS..G310 helixtrans-93-3.2-179.7-63.4-26.7000113.3H556 Y557 R704H556-N559 PolarHBondContact O-N 3.21Å; Y557-N559 PolarHBondContact O-N 3.04Å; N559-R704 WeakPolarHBondContact O-CB 3.29Å; N559-R704 WeakPolarHBondContact O-CD 3.44Å; N559-R704 WeakPolarHBondContact O-CG 3.41Å
560I83.4Confident79.9Confident25 Ų2550 Ų5013%0.12828%0.279CS..SBendtrans-103139.7179-60.7177.4000109.9R548 Y557 R704R548-I560 VanDerWaalsContact CZ-O 3.3Å; R548-I560 PolarHBondContact NH1-O 3.47Å; R548-I560 PolarHBondContact NH2-O 2.92Å; Y557-I560 HydrophobicContact CD1-CB 4.17Å; Y557-I560 HydrophobicContact CD1-CD1 4.36Å; Y557-I560 HydrophobicContact CD1-CG2 4.26Å; Y557-I560 HydrophobicContact CD2-CD1 4.49Å; Y557-I560 HydrophobicContact CE1-CD1 4.41Å; Y557-I560 HydrophobicContact CE1-CG2 4.4Å; Y557-I560 HydrophobicContact CG-CD1 4.41Å; Y557-I560 PolarHBondContact O-N 3.16Å; Y557-I560 VanDerWaalsContact O-O 3.05Å; I560-R704 VanDerWaalsContact C-NH1 3.28Å; I560-R704 PolarHBondContact O-NH1 3.49Å
561S84.7Confident78.6Confident53 Ų5355 Ų5537%0.37131%0.306SS..PPolyproline II helixtrans-69.7140.3177.5-82.90000111.9R704 R717S561-R704 WeakPolarHBondContact OG-CD 3.47Å; S561-R704 PolarHBondContact OG-NE 2.99Å; S561-R704 PolarHBondContact OG-NH1 3.48Å; S561-R704 PolarHBondContact OG-NH2 3.23Å; S561-R717 PolarHBondContact O-NH1 3.15Å; S561-R717 PolarHBondContact O-NH2 3.22Å
562P87Confident77.2Confident9 Ų958.2 Ų58.26%0.05832%0.318CS..PPolyproline II helixtrans-59.6161.3165.134.1-40.8000110.5F539 V564 D719 E721F539-P562 HydrophobicContact CE1-CB 3.96Å; F539-P562 HydrophobicContact CZ-CB 3.62Å; F539-P562 HydrophobicContact CZ-CG 3.72Å; P562-V564 PolarHBondContact O-N 3.27Å; P562-D719 HydrophobicContact CB-CB 4.01Å; P562-E721 HydrophobicContact CB-CB 4.14Å; P562-E721 HydrophobicContact CG-CB 3.77Å; P562-E721 VanDerWaalsContact CG-OE2 3.29Å; P562-E721 WeakPolarHBondContact CG-OE2 3.4Å
563V86Confident75.9Confident53 Ų5356.4 Ų56.432%0.32131%0.308SS..EExtended strand (participates in β ladder)trans-77.7120.2176-179.70000109.2I565 R717 D719 Y720 E721V563-I565 PolarHBondContact O-N 3.05Å; V563-R717 HydrophobicContact CG2-CB 3.72Å; V563-R717 HydrophobicContact CG2-CG 3.8Å; V563-D719 PolarHBondContact N-O 2.73Å; V563-Y720 HydrophobicContact CB-CD1 3.75Å; V563-Y720 HydrophobicContact CB-CE1 3.87Å; V563-Y720 HydrophobicContact CG1-CD1 3.86Å; V563-Y720 HydrophobicContact CG1-CE1 3.81Å; V563-Y720 HydrophobicContact CG2-CE1 4.44Å; V563-Y720 CarbonylContact O-C 3.52Å; V563-Y720 WeakPolarHBondContact O-CA 3.39Å; V563-E721 PolarHBondContact O-N 3.22Å
564V83.5Confident74.8Confident57 Ų5759.7 Ų59.735%0.34532%0.323SS..EExtended strand (participates in β ladder)trans-76.2128179.5179.10000110.2P562 P566 E721 Q723P562-V564 PolarHBondContact O-N 3.27Å; V564-P566 VanDerWaalsContact O-CD 3.3Å; V564-P566 WeakPolarHBondContact O-CD 3.45Å; V564-E721 WeakPolarHBondContact CA-O 3.23Å; V564-Q723 VanDerWaalsContact CG1-CD 3.45Å; V564-Q723 HydrophobicContact CG1-CG 3.92Å
565I80.8Confident73.4Confident6 Ų665 Ų653%0.03135%0.345CS..EExtended strand (participates in β ladder)trans-73116168.2-59.7179.6000107.2I538 V563 K567 Y720 E721 W722 E743 F747I538-I565 HydrophobicContact CG2-CD1 3.87Å; V563-I565 PolarHBondContact O-N 3.05Å; I565-K567 PolarHBondContact O-N 3.23Å; I565-Y720 HydrophobicContact CG1-CD1 4.49Å; I565-E721 PolarHBondContact N-O 2.95Å; I565-W722 HydrophobicContact CD1-CB 4.48Å; I565-E743 HydrophobicContact CG2-CB 4.12Å; I565-F747 HydrophobicContact CD1-CB 4.19Å; I565-F747 HydrophobicContact CD1-CD1 4.45Å; I565-F747 HydrophobicContact CD1-CD2 4.16Å; I565-F747 HydrophobicContact CD1-CG 4Å; I565-F747 HydrophobicContact CG1-CD2 4.21Å; I565-F747 HydrophobicContact CG2-CB 4.39Å
566P67.4Low72Confident98 Ų9858.6 Ų58.664%0.63632%0.324SS*.PPolyproline II helixtrans-56.7127.1-175-25.634.5000111.6V564 A568V564-P566 VanDerWaalsContact O-CD 3.3Å; V564-P566 WeakPolarHBondContact O-CD 3.45Å; P566-A568 PolarHBondContact O-N 3.39Å
567K65.4Low70.7Confident115 Ų11558.1 Ų58.150%0.532%0.322SS..  trans-70.8112.4170.7-172.9-177.1-173.6178.70108.1I565 S725I565-K567 PolarHBondContact O-N 3.23Å; K567-S725 PolarHBondContact NZ-OG 3.01Å
568A55.6Low69.4Low6 Ų660.4 Ų60.45%0.0534%0.339CS..  trans-146.1124172.900000108.1P566 H572 L573P566-A568 PolarHBondContact O-N 3.39Å; A568-H572 HydrophobicContact CB-CB 4.02Å; A568-L573 HydrophobicContact CB-CB 4.41Å; A568-L573 HydrophobicContact CB-CD1 4.36Å; A568-L573 HydrophobicContact CB-CD2 3.41Å; A568-L573 VanDerWaalsContact CB-CD2 3.41Å; A568-L573 HydrophobicContact CB-CG 3.4Å; A568-L573 VanDerWaalsContact CB-CG 3.4Å
569S58.8Low67.8Low68 Ų6862 Ų6248%0.47634%0.339SS..  trans-54.6153.2164.970.70000107.9N571 H572 L573S569-N571 PolarHBondContact O-N 2.92Å; S569-H572 CarbonylContact O-C 3.5Å; S569-H572 WeakPolarHBondContact O-CA 3.47Å; S569-H572 WeakPolarHBondContact O-CB 3.2Å; S569-H572 PolarHBondContact O-N 2.8Å; S569-H572 WeakPolarHBondContact OG-CB 3.39Å; S569-H572 PolarHBondContact OG-N 3.48Å; S569-L573 PolarHBondContact O-N 3.43Å
570I61.1Low66.1Low30 Ų3063.4 Ų63.415%0.15434%0.341CS..Hα-helixtrans-55.4-33179.8-38.6178.4000110.6V234 K237 L238 L573 E574 H742V234-I570 HydrophobicContact CG2-CD1 4.41Å; K237-I570 HydrophobicContact CB-CG2 3.88Å; K237-I570 HydrophobicContact CD-CB 3.88Å; K237-I570 HydrophobicContact CD-CG2 3.31Å; K237-I570 VanDerWaalsContact CE-C 3.43Å; K237-I570 VanDerWaalsContact CE-CG2 3.49Å; K237-I570 VanDerWaalsContact CE-O 3.32Å; K237-I570 WeakPolarHBondContact CE-O 2.94Å; K237-I570 HydrophobicContact CG-CG2 3.53Å; L238-I570 HydrophobicContact CD1-CG2 4.08Å; L238-I570 HydrophobicContact CD2-CG2 4.01Å; L238-I570 HydrophobicContact CG-CG2 3.87Å; I570-L573 PolarHBondContact O-N 3.29Å; I570-E574 WeakPolarHBondContact O-CB 3.27Å; I570-E574 PolarHBondContact O-N 3.08Å; I570-H742 HydrophobicContact CD1-CB 4.5Å; I570-H742 WeakPolarHBondContact CD1-CD2 3.31Å; I570-H742 HydrophobicContact CG1-CB 4.17Å
571N61.3Low64.1Low107 Ų10764 Ų6457%0.57234%0.344SS*.Hα-helixtrans-66.3-37.7173.8-58.3-3.5000112.6K237 S569 K575K237-N571 PolarHBondContact NZ-OD1 2.84Å; S569-N571 PolarHBondContact O-N 2.92Å; N571-K575 WeakPolarHBondContact O-CB 3.45Å; N571-K575 PolarHBondContact O-N 3.09Å
572H60.2Low61.9Low99 Ų9966.2 Ų66.246%0.45835%0.351SS..Hα-helixtrans-72.3-39.1176.2-171.1-72.8000111.5A568 S569 E574 K575 C576A568-H572 HydrophobicContact CB-CB 4.02Å; S569-H572 CarbonylContact O-C 3.5Å; S569-H572 WeakPolarHBondContact O-CA 3.47Å; S569-H572 WeakPolarHBondContact O-CB 3.2Å; S569-H572 PolarHBondContact O-N 2.8Å; S569-H572 WeakPolarHBondContact OG-CB 3.39Å; S569-H572 PolarHBondContact OG-N 3.48Å; H572-E574 VanDerWaalsContact C-N 3.34Å; H572-K575 PolarHBondContact O-N 3.05Å; H572-C576 PolarHBondContact CE1-SG 3.43Å; H572-C576 PolarHBondContact ND1-SG 3.21Å; H572-C576 WeakPolarHBondContact O-CB 3.5Å; H572-C576 PolarHBondContact O-N 3.21Å; H572-C576 PolarHBondContact O-SG 3.03Å; H572-C576 VanDerWaalsContact O-SG 3.34Å
573L59.6Low59.6Low17 Ų1768.7 Ų68.79%0.08937%0.368CS..Hα-helixtrans-59.1-48.2172.6-73172.3000110.4L238 A568 S569 I570 K575 C576 L577 F746L238-L573 HydrophobicContact CD1-CB 3.72Å; L238-L573 HydrophobicContact CD1-CD1 3.55Å; L238-L573 HydrophobicContact CD1-CG 4.23Å; L238-L573 HydrophobicContact CD2-CB 3.88Å; L238-L573 HydrophobicContact CG-CB 4.49Å; A568-L573 HydrophobicContact CB-CB 4.41Å; A568-L573 HydrophobicContact CB-CD1 4.36Å; A568-L573 HydrophobicContact CB-CD2 3.41Å; A568-L573 VanDerWaalsContact CB-CD2 3.41Å; A568-L573 HydrophobicContact CB-CG 3.4Å; A568-L573 VanDerWaalsContact CB-CG 3.4Å; S569-L573 PolarHBondContact O-N 3.43Å; I570-L573 PolarHBondContact O-N 3.29Å; L573-K575 PolarHBondContact O-N 2.75Å; L573-C576 PolarHBondContact O-N 3.47Å; L573-L577 VanDerWaalsContact O-CG 3.23Å; L573-L577 WeakPolarHBondContact O-CG 3.36Å; L573-L577 PolarHBondContact O-N 3.49Å; L573-F746 HydrophobicContact CD1-CB 4.12Å; L573-F746 HydrophobicContact CD1-CD1 3.97Å; L573-F746 HydrophobicContact CD1-CD2 4.22Å; L573-F746 HydrophobicContact CD1-CE1 4.47Å; L573-F746 HydrophobicContact CD1-CG 3.83Å; L573-F746 HydrophobicContact CD2-CD1 4.08Å; L573-F746 HydrophobicContact CD2-CE1 3.88Å; L573-F746 HydrophobicContact CD2-CZ 4.3Å
574E60.4Low57.4Low94 Ų9472 Ų7244%0.43938%0.384SS..Hα-helixtrans-55.7-47.9174.8-178-179.3-155.200111.7K237 L238 I570 H572 C576 L577 S578K237-E574 WeakPolarHBondContact CE-OE2 3.28Å; K237-E574 IonicContact NZ-OE2 2.68Å; K237-E574 PolarHBondContact NZ-OE2 3.48Å; L238-E574 HydrophobicContact CD2-CB 4.04Å; I570-E574 WeakPolarHBondContact O-CB 3.27Å; I570-E574 PolarHBondContact O-N 3.08Å; H572-E574 VanDerWaalsContact C-N 3.34Å; E574-C576 PolarHBondContact O-N 3.49Å; E574-L577 PolarHBondContact O-N 2.99Å; E574-S578 PolarHBondContact O-N 2.63Å
575K57.4Low55.3Low134 Ų13474.9 Ų74.958%0.58340%0.396SS*.Hα-helixtrans-64-39.4177.3-168.8177-179.4-179.70112.9N571 H572 L573 L577 S578 I579N571-K575 WeakPolarHBondContact O-CB 3.45Å; N571-K575 PolarHBondContact O-N 3.09Å; H572-K575 PolarHBondContact O-N 3.05Å; L573-K575 PolarHBondContact O-N 2.75Å; K575-L577 VanDerWaalsContact C-N 3.34Å; K575-S578 WeakPolarHBondContact CA-OG 2.93Å; K575-S578 PolarHBondContact O-N 2.88Å; K575-S578 PolarHBondContact O-OG 2.79Å; K575-I579 HydrophobicContact CG-CD1 4.01Å; K575-I579 WeakPolarHBondContact O-CD1 3.22Å; K575-I579 WeakPolarHBondContact O-CG1 3.34Å; K575-I579 PolarHBondContact O-N 2.83Å
576C56.5Low53.2Low55 Ų5579.5 Ų79.537%0.37242%0.421SS..Hα-helixtrans-65.7-37.9176.8-760000112.3H572 L573 E574 K580H572-C576 PolarHBondContact CE1-SG 3.43Å; H572-C576 PolarHBondContact ND1-SG 3.21Å; H572-C576 WeakPolarHBondContact O-CB 3.5Å; H572-C576 PolarHBondContact O-N 3.21Å; H572-C576 PolarHBondContact O-SG 3.03Å; H572-C576 VanDerWaalsContact O-SG 3.34Å; L573-C576 PolarHBondContact O-N 3.47Å; E574-C576 PolarHBondContact O-N 3.49Å; C576-K580 PolarHBondContact O-N 3.24Å
577L57.9Low51.8Low30 Ų3081.6 Ų81.616%0.15743%0.426CS..Hα-helixtrans-68.2-41.2175.6-65.5164.9000110.3L238 L573 E574 K575 I579 K580 P756 H757L238-L577 HydrophobicContact CD2-CD1 4.06Å; L573-L577 VanDerWaalsContact O-CG 3.23Å; L573-L577 WeakPolarHBondContact O-CG 3.36Å; L573-L577 PolarHBondContact O-N 3.49Å; E574-L577 PolarHBondContact O-N 2.99Å; K575-L577 VanDerWaalsContact C-N 3.34Å; L577-I579 PolarHBondContact O-N 3.29Å; L577-K580 PolarHBondContact O-N 3.25Å; L577-P756 HydrophobicContact CD1-CB 4.39Å; L577-P756 HydrophobicContact CD1-CG 3.95Å; L577-P756 HydrophobicContact CD2-CG 4.14Å; L577-H757 WeakPolarHBondContact CD2-NE2 3.37Å; L577-H757 PolarHBondContact O-CE1 3.3Å; L577-H757 VanDerWaalsContact O-CE1 3.25Å
578S56.9Low50.4Low56 Ų5682.9 Ų82.939%0.39244%0.439SS..Hα-helixtrans-68.3-32.5177.271.50000113.6E574 K575 K580 D581 I582E574-S578 PolarHBondContact O-N 2.63Å; K575-S578 WeakPolarHBondContact CA-OG 2.93Å; K575-S578 PolarHBondContact O-N 2.88Å; K575-S578 PolarHBondContact O-OG 2.79Å; S578-K580 VanDerWaalsContact C-N 3.33Å; S578-D581 WeakPolarHBondContact O-CB 3.34Å; S578-D581 PolarHBondContact O-N 2.98Å; S578-I582 PolarHBondContact O-N 3.34Å
579I53.3Low49.4Very low89 Ų8987.9 Ų87.946%0.45647%0.465SS..Hα-helixtrans-67.4-35.1177.3-70.2163.2000111.3K575 L577 D581 I582 S583K575-I579 HydrophobicContact CG-CD1 4.01Å; K575-I579 WeakPolarHBondContact O-CD1 3.22Å; K575-I579 WeakPolarHBondContact O-CG1 3.34Å; K575-I579 PolarHBondContact O-N 2.83Å; L577-I579 PolarHBondContact O-N 3.29Å; I579-D581 PolarHBondContact O-N 3.15Å; I579-I582 PolarHBondContact O-N 3.05Å; I579-I582 VanDerWaalsContact O-N 3.09Å; I579-S583 PolarHBondContact O-N 3.15Å; I579-S583 VanDerWaalsContact O-N 3.07Å
580K50.9Low48.1Very low130 Ų13092.4 Ų92.457%0.56548%0.484SS*.Hα-helixtrans-63.3-32.8174.9-74.5-176.6177.5-177.20111.9C576 L577 S578 I582 S583 L584C576-K580 PolarHBondContact O-N 3.24Å; L577-K580 PolarHBondContact O-N 3.25Å; S578-K580 VanDerWaalsContact C-N 3.33Å; K580-I582 VanDerWaalsContact C-N 3.32Å; K580-I582 PolarHBondContact O-N 2.98Å; K580-S583 WeakPolarHBondContact CA-OG 3.45Å; K580-S583 PolarHBondContact O-N 3.48Å; K580-S583 PolarHBondContact O-OG 2.76Å; K580-L584 PolarHBondContact O-N 3.36Å; K580-L584 VanDerWaalsContact O-N 3.09Å
581D41.5Very low46.6Very low37 Ų37100.5 Ų100.520%0.19852%0.518CS..Hα-helixtrans-63.9-36.4172.9-61.8-36.6000112.1S578 I579 L584 I585 H757 R760S578-D581 WeakPolarHBondContact O-CB 3.34Å; S578-D581 PolarHBondContact O-N 2.98Å; I579-D581 PolarHBondContact O-N 3.15Å; D581-L584 PolarHBondContact O-N 3.23Å; D581-I585 WeakPolarHBondContact O-CD1 3.08Å; D581-I585 VanDerWaalsContact O-CG1 3.23Å; D581-I585 WeakPolarHBondContact O-CG1 3.48Å; D581-I585 PolarHBondContact O-N 2.95Å; D581-I585 VanDerWaalsContact O-N 3.15Å; D581-H757 IonicContact OD1-CE1 3Å; D581-H757 IonicContact OD1-ND1 2.74Å; D581-H757 IonicContact OD2-CE1 2.63Å; D581-R760 IonicContact OD1-CZ 2.85Å; D581-R760 VanDerWaalsContact OD1-CZ 3.29Å; D581-R760 IonicContact OD1-NH1 2.88Å; D581-R760 PolarHBondContact OD1-NH1 3.5Å; D581-R760 IonicContact OD1-NH2 3.96Å; D581-R760 PolarHBondContact OD1-NH2 3.49Å; D581-R760 IonicContact OD2-CZ 3.62Å; D581-R760 IonicContact OD2-NH1 3Å; D581-R760 IonicContact OD2-NH2 2.81Å; D581-R760 PolarHBondContact OD2-NH2 3.11Å
582I39Very low45.1Very low100 Ų100100.2 Ų100.251%0.51352%0.524SS..Hα-helixtrans-70-37.8175.8-60.2171.2000111S578 I579 K580 L584 I585 N586S578-I582 PolarHBondContact O-N 3.34Å; I579-I582 PolarHBondContact O-N 3.05Å; I579-I582 VanDerWaalsContact O-N 3.09Å; K580-I582 VanDerWaalsContact C-N 3.32Å; K580-I582 PolarHBondContact O-N 2.98Å; I582-L584 VanDerWaalsContact C-N 3.34Å; I582-L584 PolarHBondContact O-N 3.11Å; I582-I585 PolarHBondContact O-N 3.34Å; I582-N586 WeakPolarHBondContact O-CB 3.49Å; I582-N586 PolarHBondContact O-N 3.34Å
583S38.7Very low43.8Very low61 Ų61103 Ų10343%0.42754%0.542SS..Hα-helixtrans-69.6-28.6177.666.40000113.9I579 K580 N587I579-S583 PolarHBondContact O-N 3.15Å; I579-S583 VanDerWaalsContact O-N 3.07Å; K580-S583 WeakPolarHBondContact CA-OG 3.45Å; K580-S583 PolarHBondContact O-N 3.48Å; K580-S583 PolarHBondContact O-OG 2.76Å; S583-N587 PolarHBondContact O-N 2.96Å
584L38.4Very low42.3Very low124 Ų124111.2 Ų111.265%0.64958%0.58SS**Hα-helixtrans-77.1-29.1173.1-82.8154.4000112.2K580 D581 I582K580-L584 PolarHBondContact O-N 3.36Å; K580-L584 VanDerWaalsContact O-N 3.09Å; D581-L584 PolarHBondContact O-N 3.23Å; I582-L584 VanDerWaalsContact C-N 3.34Å; I582-L584 PolarHBondContact O-N 3.11Å
585I40Very low40.8Very low116 Ų116111.5 Ų111.560%0.59559%0.593SS**Hα-helixtrans-79.1-36.4175.3-67166.5000111.3D581 I582 N587D581-I585 WeakPolarHBondContact O-CD1 3.08Å; D581-I585 VanDerWaalsContact O-CG1 3.23Å; D581-I585 WeakPolarHBondContact O-CG1 3.48Å; D581-I585 PolarHBondContact O-N 2.95Å; D581-I585 VanDerWaalsContact O-N 3.15Å; I582-I585 PolarHBondContact O-N 3.34Å; I585-N587 VanDerWaalsContact C-N 3.35Å; I585-N587 PolarHBondContact O-N 2.92Å
586N37.5Very low39.4Very low104 Ų104112 Ų11256%0.55660%0.602SS**Hα-helixtrans-78.4-12.3178.4-86.10.8000114.4I582 N588I582-N586 WeakPolarHBondContact O-CB 3.49Å; I582-N586 PolarHBondContact O-N 3.34Å; N586-N588 VanDerWaalsContact C-N 3.28Å; N586-N588 PolarHBondContact O-N 3.43Å
587N36.5Very low37.9Very low141 Ų141114.4 Ų114.475%0.75462%0.618SS**THydrogen-bonded Turntrans-82-1.1175-92.7-3.3000114.4S583 I585S583-N587 PolarHBondContact O-N 2.96Å; I585-N587 VanDerWaalsContact C-N 3.35Å; I585-N587 PolarHBondContact O-N 2.92Å
588N37.4Very low36.4Very low143 Ų143119.9 Ų119.977%0.76565%0.648SS**THydrogen-bonded Turntrans-103.2-2.4172.7-79.8-15.2000114.1N586N586-N588 VanDerWaalsContact C-N 3.28Å; N586-N588 PolarHBondContact O-N 3.43Å
589N33.8Very low34.9Very low111 Ų111122.2 Ų122.259%0.59466%0.664SS**SBendtrans-133.597.5176.2-72.3-29.3000108.6
590N31.9Very low33.8Very low163 Ų163127.2 Ų127.287%0.87269%0.685SS**  trans165.593.3137.9-78.7-17000111.2
591K29.9Very low32.5Very low199 Ų199128 Ų12887%0.86570%0.701SS**  trans-69.2145.7142.7-85.1177.8174.4174.70107.8
592S30.1Very low32Very low101 Ų101131.3 Ų131.371%0.70673%0.734SS**  trans82115.5158.971.20000119.4
593N32.2Very low31.2Very low158 Ų158133.2 Ų133.285%0.84575%0.75SS**  trans106.6116.3134.8-61.6-8.6000120.2
594Q28.4Very low30.8Very low190 Ų190139 Ų13989%0.88878%0.775SS**  trans-49.4143.9161-72.4161.3-41.400112.3
595S29.5Very low30.2Very low100 Ų100143 Ų14370%0.69979%0.787SS**  166.8145.190.360.30000112.7
596D28.1Very low29.5Very low144 Ų144140.6 Ų140.677%0.7779%0.792SS**  trans69.2107.7144.6-55.6-22.5000125.2
597C24.5Very low29.1Very low105 Ų105141.7 Ų141.771%0.70981%0.808SS**  70.2140.6122.885.70000125
598N25.7Very low28.7Very low146 Ų146143.2 Ų143.278%0.78182%0.816SS**  trans93102.3145.4-66.1-14.8000122.4
599S26.7Very low28.5Very low105 Ų105142 Ų14273%0.73482%0.818SS**  43.8118121.2158.30000120.2
600Q30Very low28.3Very low194 Ų194142.2 Ų142.291%0.90783%0.829SS**  -170.2130.6128.3-104.6164.940.300113
601T23.2Very low28.1Very low145 Ų145143 Ų14389%0.8983%0.832SS**  trans-91.1151.1173.338.50000111.2
602A30.6Very low28Very low108 Ų108138.4 Ų138.489%0.89383%0.831SS**  trans-140.6119.4166.900000112
603T23.2Very low27.9Very low139 Ų139137.4 Ų137.485%0.85383%0.829SS**  trans-99.4145.1172.624.50000110.3
604L30.1Very low27.8Very low183 Ų183136.9 Ų136.996%0.95882%0.824SS**  trans-141.5123.6163.9-93.6162.3000112
605K25.5Very low27.8Very low207 Ų207133.9 Ų133.990%0.982%0.815SS**  trans-75.5148.7175.7-69.8170.4171.9174.80111
606G25.9Very low27.7Very low67 Ų67137.1 Ų137.169%0.69182%0.818SS**  117.2132.185.200000109.5
607S29.2Very low27.9Very low127 Ų127138 Ų13889%0.88882%0.821SS**  176.7141103.1-57.80000111.2
608N27.1Very low27.9Very low172 Ų172141.4 Ų141.492%0.9283%0.827SS**  trans-114.4148.5172.3-76-28000110.7
609S32.1Very low28Very low118 Ų118139.4 Ų139.483%0.82582%0.824SS**  trans-169.9152.6157.656.80000108.5
610S31.3Very low28Very low116 Ų116139.7 Ų139.781%0.81182%0.822SS**  cis-171.2157-23.846.60000106.8
611L26.4Very low27.7Very low180 Ų180138.7 Ų138.794%0.94282%0.817SS**  trans-72.9160.5-173.6-76.9111000117.2
612A28.7Very low27.9Very low101 Ų101136.6 Ų136.684%0.83581%0.808SS**  trans152.315013600000109.5
613A28.2Very low27.6Very low80 Ų80138.4 Ų138.466%0.66181%0.808SS**  cis179.4162.2-9.100000107.7
614I29.6Very low27.7Very low148 Ų148139 Ų13976%0.75980%0.801SS**  trans75.3143.6154.1-59.6152.4000118.7
615D28.2Very low27.5Very low127 Ų127136.9 Ų136.968%0.67980%0.795SS**  cis-162.9161.9-23.5-97.1-22000109
616E28.1Very low27.5Very low167 Ų167131.7 Ų131.778%0.7878%0.777SS**  trans-1.2144.5162.5-57.5-178.4151.900123.4
617I31Very low27.4Very low162 Ų162134.9 Ų134.983%0.83178%0.778SS**  173.8140.6108.1-82159.3000111.2
618E25.2Very low27.3Very low177 Ų177134.5 Ų134.583%0.82777%0.765SS**  trans-60.8154.3-176.8-65.5169.2119.800116.8
619S28.4Very low27.3Very low104 Ų104129.8 Ų129.873%0.72775%0.746SS**  161.1125.4111.855.70000114.6
620T25.6Very low27.5Very low112 Ų112127 Ų12769%0.68772%0.722SS**  trans61.4123.1133.459.50000124.3
621H24.5Very low27.6Very low173 Ų173123.2 Ų123.280%0.80170%0.696SS**  trans73.1112.5138.7-60.7-52.6000121.5
622S27.1Very low28.2Very low100 Ų100116.4 Ų116.470%0.69966%0.66SS**  155.4135.6104.157.50000111.8H624S622-H624 PolarHBondContact O-N 3.28Å
623V24.1Very low28.6Very low146 Ų146112.8 Ų112.889%0.88563%0.629SS**  trans-76.3109.5-175.1178.50000109
624H26.2Very low29.1Very low152 Ų152110.1 Ų110.170%0.70460%0.603SS**  trans-125.1125169.4-86.2-66.9000111.7S622 L626S622-H624 PolarHBondContact O-N 3.28Å; H624-L626 PolarHBondContact O-N 3.49Å
625T25.7Very low29.1Very low138 Ų138104.3 Ų104.385%0.84758%0.576SS**  trans-43.5116.5177.1-38.20000112.5D627T625-D627 PolarHBondContact O-N 2.99Å
626L25.6Very low29.4Very low99 Ų9999.9 Ų99.952%0.51856%0.555SS.*  trans-76.2105.3178.5-64178.9000110.3H624 L628 L662H624-L626 PolarHBondContact O-N 3.49Å; L626-L628 PolarHBondContact O-N 3.29Å; L626-L628 VanDerWaalsContact O-N 3.09Å; L626-L662 HydrophobicContact CB-CD2 3.97Å; L626-L662 HydrophobicContact CD1-CD2 3.53Å; L626-L662 HydrophobicContact CD1-CG 4.48Å; L626-L662 HydrophobicContact CD2-CD1 3.88Å; L626-L662 HydrophobicContact CD2-CD2 3.37Å; L626-L662 HydrophobicContact CD2-CG 3.5Å; L626-L662 VanDerWaalsContact CD2-CG 3.5Å; L626-L662 HydrophobicContact CG-CD2 3.76Å; L626-L662 HydrophobicContact CG-CG 4.43Å
627D23.7Very low29.7Very low133 Ų13395.3 Ų95.371%0.71154%0.536SS*.  trans-7391.3176.4-162.68000110.2T625 S629T625-D627 PolarHBondContact O-N 2.99Å; D627-S629 PolarHBondContact O-N 3.42Å
628L26.5Very low29.5Very low119 Ų11994.4 Ų94.462%0.62353%0.532SS*.  trans-74.490.6176.1-67.2175.2000110R85 L626 D630R85-L628 PolarHBondContact NH2-O 2.71Å; L626-L628 PolarHBondContact O-N 3.29Å; L626-L628 VanDerWaalsContact O-N 3.09Å; L628-D630 VanDerWaalsContact C-N 3.33Å; L628-D630 PolarHBondContact O-N 2.97Å
629S27.9Very low29.7Very low74 Ų7490 Ų9052%0.51752%0.52SS..  trans-67.386.4171.663.10000112D627 S631D627-S629 PolarHBondContact O-N 3.42Å; S629-S631 PolarHBondContact O-N 3.06Å; S629-S631 PolarHBondContact O-OG 2.96Å
630D35Very low29.6Very low58 Ų5891.9 Ų91.931%0.3152%0.522SS..  trans-46.2106.9165.5-68.4-51.2000110.8R85 W94 L628R85-D630 IonicContact NH2-OD2 3.31Å; R85-D630 PolarHBondContact NH2-OD2 3.08Å; W94-D630 HydrophobicContact CE3-CB 4.4Å; W94-D630 HydrophobicContact CH2-CB 3.68Å; W94-D630 HydrophobicContact CZ3-CB 3.36Å; L628-D630 VanDerWaalsContact C-N 3.33Å; L628-D630 PolarHBondContact O-N 2.97Å
631S33.7Very low29.8Very low38 Ų3893.4 Ų93.427%0.26653%0.525SS..  trans-92.2132.2-175.8-61.10000110.4S629 S633S629-S631 PolarHBondContact O-N 3.06Å; S629-S631 PolarHBondContact O-OG 2.96Å; S631-S633 PolarHBondContact O-N 3.44Å
632D39.8Very low29.8Very low37 Ų3789 Ų8920%0.19853%0.527CS..  trans-65.797174-60.6-47.4000109.7R21 R22 D634R21-D632 HydrophobicContact CG-CB 4.46Å; R21-D632 PolarHBondContact NE-O 2.8Å; R21-D632 PolarHBondContact NH2-O 2.63Å; R22-D632 PolarHBondContact O-N 3.17Å; D632-D634 PolarHBondContact O-N 2.67Å
633S35.7Very low29.8Very low24 Ų2488.1 Ų88.117%0.16853%0.534CS..  trans-10070.6171.461.10000110.7A225 S631A225-S633 WeakPolarHBondContact CB-OG 3.36Å; S631-S633 PolarHBondContact O-N 3.44Å
634D39.6Very low29.9Very low24 Ų2487.1 Ų87.113%0.12853%0.533CS..  trans-89144.9164.4-68.3-48.1000111.1R21 R62 F66 D632R21-D634 PolarHBondContact NH1-O 3.34Å; R62-D634 IonicContact CZ-OD2 3.39Å; R62-D634 IonicContact NH1-OD2 3.21Å; R62-D634 PolarHBondContact NH1-OD2 3Å; R62-D634 IonicContact NH2-OD2 2.73Å; R62-D634 PolarHBondContact NH2-OD2 3.47Å; F66-D634 WeakPolarHBondContact CE2-OD2 3.43Å; F66-D634 WeakPolarHBondContact CZ-OD2 3.38Å; D632-D634 PolarHBondContact O-N 2.67Å
635S30Very low29.9Very low26 Ų2682.9 Ų82.918%0.18253%0.53CS..  trans-126.383-175.6650000106.1Q232Q232-S635 PolarHBondContact OE1-O 3.23Å; Q232-S635 PolarHBondContact OE1-OG 2.97Å
636S34.3Very low30.1Very low34 Ų3484.6 Ų84.624%0.23853%0.532CS..  trans-134.6134.5157.9620000104.2
637D33.3Very low30.1Very low72 Ų7287.9 Ų87.939%0.38555%0.551SS.*  trans81.979169.5-37.3-27.3000115.8
638L27.6Very low30.3Very low142 Ų14285.1 Ų85.174%0.74355%0.554SS**  trans-97.579.3154.3-77.7176.6000109.1E236E236-L638 WeakPolarHBondContact OE2-CD1 3.44Å
639S29.5Very low30.3Very low84 Ų8484.1 Ų84.159%0.58756%0.557SS**  trans-99.1111.2163.872.40000109.9R192R192-S639 PolarHBondContact NH1-OG 2.9Å
640L26.1Very low30.3Very low144 Ų14487 Ų8775%0.75457%0.566SS**  trans10.1118.1155.8-68.9153.3000117.5R192R192-L640 PolarHBondContact NH1-O 3.18Å; R192-L640 PolarHBondContact NH2-O 3.22Å
641N29.7Very low30.1Very low144 Ų14491 Ų9177%0.7759%0.588SS**  trans-137.6100.1142.6-112.45.2000109.3
642G24.5Very low30Very low80 Ų8098.2 Ų98.283%0.82562%0.615SS**  trans-80.7134.7161.100000109.5
643G28.1Very low29.8Very low82 Ų82103.8 Ų103.885%0.84564%0.639SS**  trans-170.797.7176.600000109.2
644S26.4Very low29.6Very low126 Ų126110.7 Ų110.788%0.88167%0.669SS**  trans-73.3145.2179.9179.40000112.3
645G25.6Very low29.2Very low62 Ų62118 Ų11864%0.63970%0.7SS**  trans84.1110.7148.400000117.8
646I29.6Very low29.4Very low174 Ų174126.6 Ų126.689%0.89273%0.728SS**  -177.1130.3108.9-85.7154.7000109
647N25.5Very low29.3Very low168 Ų168132.7 Ų132.790%0.89875%0.75SS**  trans-65.8135172.8-71.9-34.2000110.9
648G28.2Very low29.1Very low76 Ų76138 Ų13878%0.78477%0.77SS**  trans-159.5111.5169.400000109.2
649S26.8Very low29.2Very low97 Ų97139 Ų13968%0.67877%0.769SS**  trans-63.9170.4179.355.30000112
650D28.1Very low29.3Very low134 Ų134141.6 Ų141.672%0.71777%0.769SS**  trans81.982.7160.8-45.8-37.7000116
651N31Very low29.4Very low144 Ų144146 Ų14677%0.7778%0.776SS**  trans175.637.8139.8-89.4-36.1000112.7
652K31.4Very low29.3Very low189 Ų189144 Ų14482%0.82277%0.765SS**  trans-88.41.5-177.1-91.7-179.2178.2173.20115.3
653E33.8Very low29.5Very low154 Ų154144 Ų14472%0.7275%0.753SS**SBendtrans-105.5-15.5-168.2-157.4156.9-176.200115.8
654Q32.5Very low29.5Very low168 Ų168146.3 Ų146.379%0.78575%0.75SS**SBendtrans-100.7-22.5177.9-77.4169.6-11.700114.2
655K31.8Very low29.5Very low179 Ų179144.1 Ų144.178%0.77873%0.731SS**THydrogen-bonded Turntrans-81.5-13.9174.7-77.5-178.9176.6175.80114.3
656R33.3Very low29.8Very low205 Ų205145.2 Ų145.277%0.77472%0.722SS**THydrogen-bonded Turntrans-81.6-13.5174.8-78.9175.272.8106.9-6.6114
657K32.5Very low30.1Very low162 Ų162144.9 Ų144.970%0.70472%0.717SS**THydrogen-bonded Turntrans-93.5-14.8-177.1-69.9-177178.6177.10114.6
658F29.4Very low30.5Very low184 Ų184143.6 Ų143.681%0.80771%0.71SS**THydrogen-bonded Turntrans-94.9-26-178.6-153.4-100.7000113.9K660F658-K660 VanDerWaalsContact C-N 3.27Å; F658-K660 PolarHBondContact O-N 3.48Å
659F30Very low30.8Very low162 Ų162144 Ų14471%0.71170%0.701SS**THydrogen-bonded Turntrans-82.83.7176.5-85.7-82.2000114.5
660K31.4Very low31.1Very low139 Ų139142.7 Ų142.760%0.60469%0.688SS**THydrogen-bonded Turntrans-91.54.1-177.9-122.5-173.2-179.9-157.80114.5F658 D666F658-K660 VanDerWaalsContact C-N 3.27Å; F658-K660 PolarHBondContact O-N 3.48Å; K660-D666 IonicContact NZ-OD2 2.67Å
661R27.8Very low31.2Very low236 Ų236145.9 Ų145.989%0.89169%0.692SS**SBendtrans-114.315.3-168.4-115174.8173.9166.3-2.8115.7
662L26.9Very low31.4Very low103 Ų103148.5 Ų148.554%0.53970%0.696SS.*SBendtrans-149.83.4-178.7-111.3153.1000115.3L626L626-L662 HydrophobicContact CB-CD2 3.97Å; L626-L662 HydrophobicContact CD1-CD2 3.53Å; L626-L662 HydrophobicContact CD1-CG 4.48Å; L626-L662 HydrophobicContact CD2-CD1 3.88Å; L626-L662 HydrophobicContact CD2-CD2 3.37Å; L626-L662 HydrophobicContact CD2-CG 3.5Å; L626-L662 VanDerWaalsContact CD2-CG 3.5Å; L626-L662 HydrophobicContact CG-CD2 3.76Å; L626-L662 HydrophobicContact CG-CG 4.43Å
663S29.6Very low31.4Very low81 Ų81148 Ų14857%0.56670%0.697SS**SBendtrans-98.898.1157.7560000106.9V665S663-V665 PolarHBondContact O-N 3.22Å
664V27Very low31.4Very low130 Ų130147.9 Ų147.979%0.78870%0.696SS**  trans-66.7125.3178.3176.50000108
665V28.4Very low31.7Very low80 Ų80147.6 Ų147.649%0.48570%0.695SS.*SBendtrans91.5106.9180-176.10000115.7S663 E667 V670S663-V665 PolarHBondContact O-N 3.22Å; V665-E667 PolarHBondContact O-N 2.93Å; V665-V670 HydrophobicContact CB-CG2 4.16Å; V665-V670 HydrophobicContact CG1-CB 3.47Å; V665-V670 VanDerWaalsContact CG1-CB 3.47Å; V665-V670 HydrophobicContact CG1-CG1 4.11Å; V665-V670 HydrophobicContact CG1-CG2 3.21Å; V665-V670 HydrophobicContact CG2-CG2 3.96Å
666D30.7Very low32.5Very low85 Ų85141.8 Ų141.846%0.45568%0.677SS.*  trans-61.4117.4162.2-157.7-8.1000108.3K660 N668 S669K660-D666 IonicContact NZ-OD2 2.67Å; D666-N668 PolarHBondContact O-N 3.24Å; D666-S669 PolarHBondContact O-N 2.93Å
667E35.2Very low33Very low166 Ų166138.1 Ų138.178%0.77667%0.672SS**THydrogen-bonded Turntrans-57.1-12.8-173.8-78.7-175.6151.400113.5V665 Y671V665-E667 PolarHBondContact O-N 2.93Å; E667-Y671 VanDerWaalsContact O-CD2 3.31Å; E667-Y671 WeakPolarHBondContact O-CD2 3.37Å
668N34.4Very low33.6Very low142 Ų142133.8 Ų133.876%0.75967%0.666SS**THydrogen-bonded Turntrans-108.8-8.8179.2-69.5-22.3000115.3D666D666-N668 PolarHBondContact O-N 3.24Å
669S34.3Very low34.3Very low85 Ų85129.6 Ų129.659%0.59465%0.65SS**THydrogen-bonded Turntrans-106-13.5-177.487.20000115.3D666 Y671D666-S669 PolarHBondContact O-N 2.93Å; S669-Y671 VanDerWaalsContact C-N 3.34Å
670V32.8Very low35.1Very low68 Ų68127.1 Ų127.141%0.41264%0.639SS.*SBendtrans-89-1.5173.3167.40000113.1V665 K672V665-V670 HydrophobicContact CB-CG2 4.16Å; V665-V670 HydrophobicContact CG1-CB 3.47Å; V665-V670 VanDerWaalsContact CG1-CB 3.47Å; V665-V670 HydrophobicContact CG1-CG1 4.11Å; V665-V670 HydrophobicContact CG1-CG2 3.21Å; V665-V670 HydrophobicContact CG2-CG2 3.96Å; V670-K672 PolarHBondContact O-N 2.98Å; V670-K672 VanDerWaalsContact O-N 3.11Å
671Y31.2Very low36Very low201 Ų201125.3 Ų125.379%0.78864%0.635SS**THydrogen-bonded Turntrans-71.2-0.3179.3-105.8-87.6000115.7E667 S669E667-Y671 VanDerWaalsContact O-CD2 3.31Å; E667-Y671 WeakPolarHBondContact O-CD2 3.37Å; S669-Y671 VanDerWaalsContact C-N 3.34Å
672K34.4Very low36.7Very low199 Ų199119 Ų11987%0.86562%0.615SS**THydrogen-bonded Turntrans-108.6-0.5-178.2-86.7-174.4174.8-177.80116.4V670V670-K672 PolarHBondContact O-N 2.98Å; V670-K672 VanDerWaalsContact O-N 3.11Å
673Q32.8Very low37.4Very low179 Ų179116.2 Ų116.284%0.83660%0.603SS**SBendtrans-119.9-4.1-174.5-110175.7-12.900117.2
674H33.5Very low38Very low152 Ų152117.2 Ų117.270%0.70460%0.602SS**  trans-10967.2-178.2-80.3-92.2000112.8
675Q38.9Very low38.9Very low162 Ų162117.9 Ų117.976%0.75759%0.592SS**  trans-103.721.7170.8-127.6-175.733.900112.5L677Q675-L677 PolarHBondContact O-N 3Å; Q675-L677 VanDerWaalsContact O-N 3.16Å
676S48.5Very low39.4Very low57 Ų57116.5 Ų116.540%0.39958%0.581SS.*  trans-62.1124.1175.681.30000109.6A678 M679 K680S676-A678 PolarHBondContact O-N 2.67Å; S676-A678 VanDerWaalsContact O-N 3.16Å; S676-M679 PolarHBondContact O-N 3.42Å; S676-M679 VanDerWaalsContact O-N 3.12Å; S676-M679 PolarHBondContact OG-N 3.16Å; S676-K680 PolarHBondContact O-N 3.01Å
677L43.5Very low39.9Very low128 Ų128115.2 Ų115.267%0.6758%0.577SS**Hα-helixtrans-52.7-34.3175.6-166.276.7000111Q675 M679 K680 I681Q675-L677 PolarHBondContact O-N 3Å; Q675-L677 VanDerWaalsContact O-N 3.16Å; L677-M679 PolarHBondContact O-N 3.23Å; L677-K680 PolarHBondContact O-N 3.41Å; L677-I681 HydrophobicContact CD2-CD1 4.04Å; L677-I681 HydrophobicContact CG-CD1 3.79Å; L677-I681 HydrophobicContact CG-CG1 4.33Å; L677-I681 WeakPolarHBondContact O-CB 3.35Å; L677-I681 WeakPolarHBondContact O-CG1 3.37Å; L677-I681 PolarHBondContact O-N 3.11Å
678A44.8Very low40Very low71 Ų71117.2 Ų117.259%0.58758%0.577SS**Hα-helixtrans-58.7-46.6177.300000113.1S676 I681 F682S676-A678 PolarHBondContact O-N 2.67Å; S676-A678 VanDerWaalsContact O-N 3.16Å; A678-I681 PolarHBondContact O-N 2.81Å; A678-F682 VanDerWaalsContact O-CB 3.23Å; A678-F682 WeakPolarHBondContact O-CB 3.3Å; A678-F682 PolarHBondContact O-N 2.78Å
679M45.1Very low40Very low95 Ų95119 Ų11947%0.46857%0.573SS.*Hα-helixtrans-73.4-28.9176.5-87.8-61.4-72.200113.2S676 L677 F682 S683S676-M679 PolarHBondContact O-N 3.42Å; S676-M679 VanDerWaalsContact O-N 3.12Å; S676-M679 PolarHBondContact OG-N 3.16Å; L677-M679 PolarHBondContact O-N 3.23Å; M679-F682 HydrophobicContact SD-CB 4.45Å; M679-F682 HydrophobicContact SD-CD1 4.21Å; M679-S683 WeakPolarHBondContact O-CA 3.46Å; M679-S683 WeakPolarHBondContact O-CB 3.45Å; M679-S683 PolarHBondContact O-N 3.2Å
680K47.1Very low40Very low111 Ų111116.4 Ų116.448%0.48356%0.555SS.*Hα-helixtrans-68.8-41.1170.6-87.3-178.6176.5178.50111.8S676 L677 N684S676-K680 PolarHBondContact O-N 3.01Å; L677-K680 PolarHBondContact O-N 3.41Å; K680-N684 VanDerWaalsContact O-CB 3.24Å; K680-N684 WeakPolarHBondContact O-CB 3.21Å; K680-N684 PolarHBondContact O-N 3.49Å; K680-N684 PolarHBondContact O-ND2 2.75Å
681I49.8Very low40.2Very low100 Ų100116.2 Ų116.251%0.51356%0.556SS.*Hα-helixtrans-65.2-46.9174.9-69.5166000109.7L677 A678 N684 Y685L677-I681 HydrophobicContact CD2-CD1 4.04Å; L677-I681 HydrophobicContact CG-CD1 3.79Å; L677-I681 HydrophobicContact CG-CG1 4.33Å; L677-I681 WeakPolarHBondContact O-CB 3.35Å; L677-I681 WeakPolarHBondContact O-CG1 3.37Å; L677-I681 PolarHBondContact O-N 3.11Å; A678-I681 PolarHBondContact O-N 2.81Å; I681-N684 PolarHBondContact O-N 3.12Å; I681-Y685 WeakPolarHBondContact O-CB 3.17Å; I681-Y685 PolarHBondContact O-N 2.97Å
682F41.7Very low40.5Very low105 Ų105113.5 Ų113.546%0.46156%0.556SS.*Hα-helixtrans-62.9-45177.8-167.4-101.5000111.6A678 M679 Y685 I686A678-F682 VanDerWaalsContact O-CB 3.23Å; A678-F682 WeakPolarHBondContact O-CB 3.3Å; A678-F682 PolarHBondContact O-N 2.78Å; M679-F682 HydrophobicContact SD-CB 4.45Å; M679-F682 HydrophobicContact SD-CD1 4.21Å; F682-Y685 PolarHBondContact O-N 3.15Å; F682-I686 HydrophobicContact CD1-CD1 4Å; F682-I686 HydrophobicContact CD1-CG1 4.5Å; F682-I686 HydrophobicContact CD2-CD1 4.44Å; F682-I686 HydrophobicContact CE1-CD1 3.4Å; F682-I686 HydrophobicContact CE1-CG1 4.34Å; F682-I686 HydrophobicContact CE2-CD1 3.9Å; F682-I686 HydrophobicContact CG-CD1 4.49Å; F682-I686 HydrophobicContact CZ-CD1 3.34Å; F682-I686 HydrophobicContact CZ-CG1 4.38Å; F682-I686 WeakPolarHBondContact O-CB 3.38Å; F682-I686 WeakPolarHBondContact O-CG1 3.5Å; F682-I686 PolarHBondContact O-N 3.36Å
683S42Very low40.6Very low44 Ų44108.1 Ų108.131%0.30854%0.539SS..Hα-helixtrans-56-52.3171.1173.10000111.3M679 Y685 I686 T687M679-S683 WeakPolarHBondContact O-CA 3.46Å; M679-S683 WeakPolarHBondContact O-CB 3.45Å; M679-S683 PolarHBondContact O-N 3.2Å; S683-Y685 PolarHBondContact O-N 3.24Å; S683-I686 PolarHBondContact O-N 3.26Å; S683-T687 WeakPolarHBondContact O-CB 3.47Å; S683-T687 PolarHBondContact O-N 3.04Å; S683-T687 PolarHBondContact O-OG1 2.73Å
684N43Very low40.6Very low102 Ų102104.5 Ų104.555%0.54553%0.53SS..Hα-helixtrans-67-36.7-178.1-72.1-13.6000112.6K680 I681 R688K680-N684 VanDerWaalsContact O-CB 3.24Å; K680-N684 WeakPolarHBondContact O-CB 3.21Å; K680-N684 PolarHBondContact O-N 3.49Å; K680-N684 PolarHBondContact O-ND2 2.75Å; I681-N684 PolarHBondContact O-N 3.12Å; N684-R688 WeakPolarHBondContact O-CB 3.45Å; N684-R688 WeakPolarHBondContact O-CG 3.25Å; N684-R688 PolarHBondContact O-N 3.21Å
685Y44.7Very low40.5Very low144 Ų144103.9 Ų103.957%0.56553%0.531SS*.Hα-helixtrans-67.5-45.5177.6-175.1-96.3000111.4I681 F682 S683 R689I681-Y685 WeakPolarHBondContact O-CB 3.17Å; I681-Y685 PolarHBondContact O-N 2.97Å; F682-Y685 PolarHBondContact O-N 3.15Å; S683-Y685 PolarHBondContact O-N 3.24Å; Y685-R689 PolarHBondContact O-N 3.02Å; Y685-R689 PolarHBondContact OH-NH1 3.06Å; Y685-R689 VanDerWaalsContact OH-NH1 3.09Å
686I40.3Very low40Very low51 Ų51104.7 Ų104.726%0.26254%0.54SS..Hα-helixtrans-73.7-36.7178.4-66.9-160.1000111.6Y542 F682 S683 R688 R689 S690Y542-I686 HydrophobicContact CE1-CG2 4.09Å; F682-I686 HydrophobicContact CD1-CD1 4Å; F682-I686 HydrophobicContact CD1-CG1 4.5Å; F682-I686 HydrophobicContact CD2-CD1 4.44Å; F682-I686 HydrophobicContact CE1-CD1 3.4Å; F682-I686 HydrophobicContact CE1-CG1 4.34Å; F682-I686 HydrophobicContact CE2-CD1 3.9Å; F682-I686 HydrophobicContact CG-CD1 4.49Å; F682-I686 HydrophobicContact CZ-CD1 3.34Å; F682-I686 HydrophobicContact CZ-CG1 4.38Å; F682-I686 WeakPolarHBondContact O-CB 3.38Å; F682-I686 WeakPolarHBondContact O-CG1 3.5Å; F682-I686 PolarHBondContact O-N 3.36Å; S683-I686 PolarHBondContact O-N 3.26Å; I686-R688 PolarHBondContact O-N 2.94Å; I686-R689 PolarHBondContact O-N 2.71Å; I686-S690 PolarHBondContact O-N 2.68Å; I686-S690 VanDerWaalsContact O-N 3.08Å
687T39.4Very low39Very low58 Ų58107.2 Ų107.236%0.35655%0.549SS..Hα-helixtrans-64.1-39.4175.7-53.70000111.4S683 R689 S690 S691S683-T687 WeakPolarHBondContact O-CB 3.47Å; S683-T687 PolarHBondContact O-N 3.04Å; S683-T687 PolarHBondContact O-OG1 2.73Å; T687-R689 VanDerWaalsContact C-N 3.27Å; T687-R689 PolarHBondContact O-N 3.17Å; T687-S690 PolarHBondContact O-N 3.25Å; T687-S691 PolarHBondContact O-N 3.4Å; T687-S691 PolarHBondContact O-OG 2.76Å
688R38.4Very low38.4Very low208 Ų208107.6 Ų107.679%0.78556%0.559SS**Hα-helixtrans-64-27.4174.3-85.1-178.1175.7-178.9-1.1113.8N684 I686 S691N684-R688 WeakPolarHBondContact O-CB 3.45Å; N684-R688 WeakPolarHBondContact O-CG 3.25Å; N684-R688 PolarHBondContact O-N 3.21Å; I686-R688 PolarHBondContact O-N 2.94Å; R688-S691 PolarHBondContact O-OG 2.72Å
689R34.8Very low37.6Very low178 Ų178110.6 Ų110.667%0.67256%0.564SS**Hα-helixtrans-84.8-28.6177.5-126.5179.8175121.3-1.3112.6Y685 I686 T687Y685-R689 PolarHBondContact O-N 3.02Å; Y685-R689 PolarHBondContact OH-NH1 3.06Å; Y685-R689 VanDerWaalsContact OH-NH1 3.09Å; I686-R689 PolarHBondContact O-N 2.71Å; T687-R689 VanDerWaalsContact C-N 3.27Å; T687-R689 PolarHBondContact O-N 3.17Å
690S33.9Very low36.8Very low32 Ų32113.8 Ų113.822%0.22458%0.582CS.*Hα-helixtrans-85-22.7176.6-178.30000114.5Y542 I686 T687 N692 V693Y542-S690 WeakPolarHBondContact OH-CB 3.35Å; Y542-S690 PolarHBondContact OH-OG 3.35Å; I686-S690 PolarHBondContact O-N 2.68Å; I686-S690 VanDerWaalsContact O-N 3.08Å; T687-S690 PolarHBondContact O-N 3.25Å; S690-N692 PolarHBondContact O-N 3.48Å; S690-N692 VanDerWaalsContact O-N 3.08Å; S690-V693 PolarHBondContact O-N 3.02Å
691S36.2Very low35.9Very low63 Ų63113.8 Ų113.844%0.44160%0.595SS.*THydrogen-bonded Turntrans-64.8-10.5-179.152.20000114.3T687 R688 V693T687-S691 PolarHBondContact O-N 3.4Å; T687-S691 PolarHBondContact O-OG 2.76Å; R688-S691 PolarHBondContact O-OG 2.72Å; S691-V693 VanDerWaalsContact C-N 3.35Å
692N37.1Very low35.1Very low144 Ų144118.2 Ų118.277%0.7761%0.613SS**THydrogen-bonded Turntrans-87.14.6176.7-70.3-5000114.1S690S690-N692 PolarHBondContact O-N 3.48Å; S690-N692 VanDerWaalsContact O-N 3.08Å
693V37.9Very low34.7Very low86 Ų86119.8 Ų119.852%0.52162%0.624SS.*SBendtrans-124.74.1-173.2-1680000113.6S690 S691S690-V693 PolarHBondContact O-N 3.02Å; S691-V693 VanDerWaalsContact C-N 3.35Å
694T32.7Very low34.9Very low104 Ų104123.4 Ų123.464%0.63863%0.631SS**  trans-12822.8-171.855.20000116.7
695N30.4Very low35.2Very low138 Ų138121.6 Ų121.674%0.73863%0.626SS**  trans-111.3107.9171.1-97.6-33.1000112.1N697N695-N697 VanDerWaalsContact C-N 3.28Å; N695-N697 PolarHBondContact O-N 2.91Å
696L28.7Very low35.7Very low180 Ų180121.1 Ų121.194%0.94263%0.631SS**  trans-66.988.6155.5-86.8136.8000108.2
697N28Very low36.5Very low110 Ų110120.1 Ų120.159%0.58863%0.628SS**  trans-133.9143.9156.3-93-29.8000107N695 I699N695-N697 VanDerWaalsContact C-N 3.28Å; N695-N697 PolarHBondContact O-N 2.91Å; N697-I699 PolarHBondContact O-N 3.41Å
698P31.3Very low37.7Very low136 Ų136121.2 Ų121.288%0.88363%0.634SS**SBendtrans-76.669.2173.634.3-31.9000108.2
699I27.2Very low39Very low133 Ų133117 Ų11768%0.68264%0.637SS**SBendtrans-125103.8165.9-59.6176.8000103.5N697 C701N697-I699 PolarHBondContact O-N 3.41Å; I699-C701 PolarHBondContact O-N 3.44Å
700L28Very low40.6Very low162 Ų162115.5 Ų115.585%0.84864%0.642SS**  trans16.3103.1158.6-70.7156.4000112.9E702L700-E702 PolarHBondContact O-N 2.82Å
701C29.5Very low42.2Very low112 Ų112117.2 Ų117.276%0.75765%0.647SS**  trans-43.4118.1149-820000105.6I699 M703I699-C701 PolarHBondContact O-N 3.44Å; C701-M703 PolarHBondContact O-N 2.9Å
702E31.7Very low43.9Very low192 Ų192121.3 Ų121.390%0.89766%0.657SS**  trans-51.4102150.3-97.4-179.3158.800103.9L700 R704L700-E702 PolarHBondContact O-N 2.82Å; E702-R704 VanDerWaalsContact C-N 3.32Å; E702-R704 PolarHBondContact O-N 2.8Å
703M33.2Very low45.5Very low139 Ų139120 Ų12069%0.68565%0.646SS**  trans-61.3105.9179-70.2-169.5-48.800104.8C701 S705 M706C701-M703 PolarHBondContact O-N 2.9Å; M703-S705 PolarHBondContact O-N 2.77Å; M703-M706 HydrophobicContact CE-CG 4.07Å; M703-M706 HydrophobicContact SD-CG 4.1Å
704R46.8Very low47.2Very low119 Ų119116.5 Ų116.545%0.44962%0.624SS.*  trans-36.2118.5149.1-90.1-171.6-165.3-157.321.2106.8N559 I560 S561 E702 M706N559-R704 WeakPolarHBondContact O-CB 3.29Å; N559-R704 WeakPolarHBondContact O-CD 3.44Å; N559-R704 WeakPolarHBondContact O-CG 3.41Å; I560-R704 VanDerWaalsContact C-NH1 3.28Å; I560-R704 PolarHBondContact O-NH1 3.49Å; S561-R704 WeakPolarHBondContact OG-CD 3.47Å; S561-R704 PolarHBondContact OG-NE 2.99Å; S561-R704 PolarHBondContact OG-NH1 3.48Å; S561-R704 PolarHBondContact OG-NH2 3.23Å; E702-R704 VanDerWaalsContact C-N 3.32Å; E702-R704 PolarHBondContact O-N 2.8Å; R704-M706 PolarHBondContact O-N 3.47Å; R704-M706 VanDerWaalsContact O-N 3.16Å
705S49.3Very low49.1Very low64 Ų64118 Ų11845%0.44862%0.622SS.*  trans-37119.6-164.453.50000111M703M703-S705 PolarHBondContact O-N 2.77Å
706M54.6Low51.4Low134 Ų134119.7 Ų119.766%0.6662%0.618SS**PPolyproline II helixtrans-56.1128.3169.3-74.8-63.6-66.100107.1M703 R704 T708M703-M706 HydrophobicContact CE-CG 4.07Å; M703-M706 HydrophobicContact SD-CG 4.1Å; R704-M706 PolarHBondContact O-N 3.47Å; R704-M706 VanDerWaalsContact O-N 3.16Å; M706-T708 PolarHBondContact O-N 3.26Å
707P57.2Low54.2Low30 Ų30114.2 Ų114.220%0.19559%0.585CS.*PPolyproline II helixtrans-55.7136.2177.920.5-30.1000108.7E711P707-E711 VanDerWaalsContact CA-OE2 3.3Å; P707-E711 WeakPolarHBondContact CA-OE2 3.28Å; P707-E711 HydrophobicContact CB-CB 4.15Å; P707-E711 WeakPolarHBondContact CB-OE2 3.37Å
708T64Low57.1Low81 Ų81110 Ų11050%0.49756%0.562SS.*PPolyproline II helixtrans-62.3153.4175.7620000109.4M706 N710 E711M706-T708 PolarHBondContact O-N 3.26Å; T708-N710 PolarHBondContact O-N 3.37Å; T708-E711 WeakPolarHBondContact CB-OE1 3.34Å; T708-E711 WeakPolarHBondContact CG2-OE1 3.17Å; T708-E711 PolarHBondContact N-OE1 3.37Å; T708-E711 WeakPolarHBondContact O-CB 3.27Å; T708-E711 PolarHBondContact O-N 3.37Å; T708-E711 VanDerWaalsContact OG1-CD 3.28Å; T708-E711 WeakPolarHBondContact OG1-CG 3.22Å; T708-E711 PolarHBondContact OG1-OE1 3.39Å
709S65.6Low59.9Low121 Ų121103.5 Ų103.585%0.84652%0.52SS*.THydrogen-bonded Turntrans-56.2-17.5-176.353.60000114.5
710N68.4Low62.9Low146 Ų14698.7 Ų98.778%0.78149%0.493SS*.THydrogen-bonded Turntrans-98-6-177.2-59.2-7.6000112.8T708T708-N710 PolarHBondContact O-N 3.37Å
711E67.6Low65.8Low68 Ų6892.2 Ų92.232%0.31846%0.459SS..SBendtrans-80.1124.4179.1-79163.8-139.900111.1H556 P707 T708H556-E711 IonicContact CD2-OE2 3.46Å; H556-E711 IonicContact CG-OE2 3.64Å; P707-E711 VanDerWaalsContact CA-OE2 3.3Å; P707-E711 WeakPolarHBondContact CA-OE2 3.28Å; P707-E711 HydrophobicContact CB-CB 4.15Å; P707-E711 WeakPolarHBondContact CB-OE2 3.37Å; T708-E711 WeakPolarHBondContact CB-OE1 3.34Å; T708-E711 WeakPolarHBondContact CG2-OE1 3.17Å; T708-E711 PolarHBondContact N-OE1 3.37Å; T708-E711 WeakPolarHBondContact O-CB 3.27Å; T708-E711 PolarHBondContact O-N 3.37Å; T708-E711 VanDerWaalsContact OG1-CD 3.28Å; T708-E711 WeakPolarHBondContact OG1-CG 3.22Å; T708-E711 PolarHBondContact OG1-OE1 3.39Å
712K72.6Confident68.3Low149 Ų14987 Ų8765%0.64842%0.423SS*.  trans-61.6140.9171.7-66.8-173.7178.1-175.60110.3E524 H556E524-K712 WeakPolarHBondContact OE1-CD 3.43Å; H556-K712 PolarHBondContact CE1-O 2.94Å; H556-K712 PolarHBondContact NE2-O 3.47Å
713Q71.6Confident70.2Confident115 Ų11580.4 Ų80.454%0.53739%0.392SS..  trans-121.7144.8177.7-64.1-174.811.200110.9K715Q713-K715 PolarHBondContact O-N 3.27Å
714L72.2Confident71.6Confident14 Ų1478.3 Ų78.37%0.07338%0.379CS..  trans-56131.3168-62.8174.2000110.1E524 E550 L553 L554 Y557 R716 I718E524-L714 HydrophobicContact CB-CD2 4.26Å; E550-L714 HydrophobicContact CB-CD1 4.31Å; E550-L714 HydrophobicContact CG-CD1 3.87Å; L553-L714 HydrophobicContact CB-CD2 4.47Å; L553-L714 HydrophobicContact CD1-CD2 4.39Å; L554-L714 HydrophobicContact CD1-CD2 3.78Å; L554-L714 HydrophobicContact CD1-CG 3.81Å; L554-L714 HydrophobicContact CG-CD2 4.26Å; Y557-L714 HydrophobicContact CE1-CD1 4.26Å; Y557-L714 HydrophobicContact CE2-CD1 4.19Å; Y557-L714 HydrophobicContact CE2-CG 4.01Å; Y557-L714 PolarHBondContact OH-N 2.8Å; L714-R716 WeakPolarHBondContact CB-O 3.48Å; L714-R716 PolarHBondContact O-N 3.09Å; L714-R716 VanDerWaalsContact O-N 3.12Å; L714-I718 HydrophobicContact CD1-CD1 4.5Å
715K73.4Confident72Confident134 Ų13476.1 Ų76.158%0.58338%0.382SS*.SBendtrans-55.8-30.4173.6-72.3-178.4176.5177.10111.9E520 Q713E520-K715 IonicContact OE1-NZ 3.67Å; E520-K715 IonicContact OE2-NZ 2.72Å; E520-K715 PolarHBondContact OE2-NZ 3.07Å; Q713-K715 PolarHBondContact O-N 3.27Å
716R79.4Confident72.1Confident174 Ų17477.5 Ų77.566%0.65738%0.381SS*.SBendtrans-142.6140.9177.8-62.8-179.1-177.8171.5-0.3110.6L714L714-R716 WeakPolarHBondContact CB-O 3.48Å; L714-R716 PolarHBondContact O-N 3.09Å; L714-R716 VanDerWaalsContact O-N 3.12Å
717R86.7Confident72.2Confident66 Ų6673.5 Ų73.525%0.24937%0.366CS..  trans-67.8140.3172.4-60.1-59.7-58.3-99.30.6110.5E550 S561 V563 Y720E550-R717 WeakPolarHBondContact OE1-CA 3.35Å; E550-R717 IonicContact OE1-CZ 2.75Å; E550-R717 IonicContact OE1-NE 3.78Å; E550-R717 PolarHBondContact OE1-NE 3.09Å; E550-R717 IonicContact OE1-NH2 2.81Å; E550-R717 IonicContact OE2-CZ 3.23Å; E550-R717 IonicContact OE2-NE 3.97Å; E550-R717 PolarHBondContact OE2-NE 2.85Å; E550-R717 IonicContact OE2-NH2 2.63Å; E550-R717 PolarHBondContact OE2-NH2 3.2Å; S561-R717 PolarHBondContact O-NH1 3.15Å; S561-R717 PolarHBondContact O-NH2 3.22Å; V563-R717 HydrophobicContact CG2-CB 3.72Å; V563-R717 HydrophobicContact CG2-CG 3.8Å; R717-Y720 PolarHBondContact O-OH 3.46Å
718I88.2Confident71.9Confident21 Ų2175.4 Ų75.411%0.10838%0.378CS..  trans-115.2-31.8-177.8-61.8169000110.6V535 N537 E550 L553 L714 Y720V535-I718 HydrophobicContact CG1-CG2 4.36Å; N537-I718 HydrophobicContact CB-CG2 4.17Å; N537-I718 PolarHBondContact N-O 3.48Å; E550-I718 HydrophobicContact CG-CB 4.25Å; E550-I718 PolarHBondContact OE1-N 2.82Å; L553-I718 HydrophobicContact CD1-CD1 3.56Å; L714-I718 HydrophobicContact CD1-CD1 4.5Å; I718-Y720 WeakPolarHBondContact O-CD2 3.41Å
719D91.1Very high71.4Confident0 Ų078.7 Ų78.70%039%0.392CS..EExtended strand (participates in β ladder)trans-88.3120.9-177.9-80.3-19.8000112N537 F539 R548 L549 E550 P562 V563N537-D719 PolarHBondContact ND2-OD1 2.82Å; F539-D719 HydrophobicContact CE1-CB 4Å; R548-D719 WeakPolarHBondContact CA-OD2 3.23Å; R548-D719 WeakPolarHBondContact CB-OD2 3.12Å; R548-D719 IonicContact NE-OD2 3.29Å; R548-D719 PolarHBondContact NE-OD2 2.88Å; R548-D719 IonicContact NH2-OD2 2.8Å; L549-D719 PolarHBondContact N-OD1 2.84Å; L549-D719 PolarHBondContact N-OD2 3.26Å; E550-D719 WeakPolarHBondContact CB-OD2 3.33Å; E550-D719 HydrophobicContact CG-CB 3.81Å; E550-D719 WeakPolarHBondContact CG-OD2 3.16Å; E550-D719 PolarHBondContact N-OD2 2.91Å; E550-D719 PolarHBondContact OE1-N 2.79Å; E550-D719 VanDerWaalsContact OE1-N 3.14Å; P562-D719 HydrophobicContact CB-CB 4.01Å; V563-D719 PolarHBondContact N-O 2.73Å
720Y90.5Very high71Confident31 Ų3173.9 Ų73.912%0.12236%0.359CS..EExtended strand (participates in β ladder)trans-122123.4177.6-64.2-92.2000111.3F536 N537 I538 F539 V563 I565 R717 I718 F747F536-Y720 HydrophobicContact CD1-CD2 4.3Å; F536-Y720 AromaticContact CD1-CE2 3.64Å; F536-Y720 HydrophobicContact CD1-CE2 3.64Å; F536-Y720 HydrophobicContact CE1-CE2 4.38Å; N537-Y720 PolarHBondContact O-N 2.81Å; I538-Y720 WeakPolarHBondContact CA-O 3.36Å; F539-Y720 WeakPolarHBondContact CD1-O 3.33Å; F539-Y720 PolarHBondContact N-O 2.85Å; V563-Y720 HydrophobicContact CB-CD1 3.75Å; V563-Y720 HydrophobicContact CB-CE1 3.87Å; V563-Y720 HydrophobicContact CG1-CD1 3.86Å; V563-Y720 HydrophobicContact CG1-CE1 3.81Å; V563-Y720 HydrophobicContact CG2-CE1 4.44Å; V563-Y720 CarbonylContact O-C 3.52Å; V563-Y720 WeakPolarHBondContact O-CA 3.39Å; I565-Y720 HydrophobicContact CG1-CD1 4.49Å; R717-Y720 PolarHBondContact O-OH 3.46Å; I718-Y720 WeakPolarHBondContact O-CD2 3.41Å; Y720-F747 HydrophobicContact CD1-CD2 4.48Å; Y720-F747 AromaticContact CD1-CE2 3.52Å; Y720-F747 HydrophobicContact CD1-CE2 3.52Å; Y720-F747 AromaticContact CD1-CZ 3.79Å; Y720-F747 HydrophobicContact CD1-CZ 3.79Å; Y720-F747 HydrophobicContact CD2-CE2 4.44Å; Y720-F747 AromaticContact CD2-CZ 3.86Å; Y720-F747 HydrophobicContact CD2-CZ 3.86Å; Y720-F747 AromaticContact CE1-CE2 3.54Å; Y720-F747 HydrophobicContact CE1-CE2 3.54Å; Y720-F747 AromaticContact CE1-CZ 3.81Å; Y720-F747 HydrophobicContact CE1-CZ 3.81Å; Y720-F747 HydrophobicContact CE2-CE2 4.49Å; Y720-F747 AromaticContact CE2-CZ 3.91Å; Y720-F747 HydrophobicContact CE2-CZ 3.91Å; Y720-F747 AromaticContact CG-CE2 3.99Å; Y720-F747 HydrophobicContact CG-CE2 3.99Å; Y720-F747 AromaticContact CG-CZ 3.8Å; Y720-F747 HydrophobicContact CG-CZ 3.8Å; Y720-F747 AromaticContact CZ-CZ 3.86Å
721E88.5Confident70.5Confident26 Ų2669.3 Ų69.312%0.12133%0.334CS..EExtended strand (participates in β ladder)trans-96.6116.9179.8-175.2175.8-169.200110.4F539 S541 P562 V563 V564 I565 Q723F539-E721 HydrophobicContact CE2-CB 4.13Å; F539-E721 HydrophobicContact CE2-CG 4.06Å; F539-E721 HydrophobicContact CZ-CB 3.98Å; F539-E721 HydrophobicContact CZ-CG 4.4Å; S541-E721 VanDerWaalsContact CB-OE1 3.3Å; S541-E721 WeakPolarHBondContact CB-OE1 3.44Å; S541-E721 PolarHBondContact OG-OE1 3.26Å; P562-E721 HydrophobicContact CB-CB 4.14Å; P562-E721 HydrophobicContact CG-CB 3.77Å; P562-E721 VanDerWaalsContact CG-OE2 3.29Å; P562-E721 WeakPolarHBondContact CG-OE2 3.4Å; V563-E721 PolarHBondContact O-N 3.22Å; V564-E721 WeakPolarHBondContact CA-O 3.23Å; I565-E721 PolarHBondContact N-O 2.95Å; E721-Q723 HydrophobicContact CG-CG 4.42Å
722W82.6Confident69.9Low3 Ų373.2 Ų73.21%0.01136%0.356CS..EExtended strand (participates in β ladder)trans-87.6121.1171.417541.6000110.3I538 F539 H540 I565 K724 S737 Y738 S741 E743 V744I538-W722 HydrophobicContact CG2-CB 4.45Å; F539-W722 PolarHBondContact O-N 3.3Å; H540-W722 HydrophobicContact CB-CE3 4.11Å; H540-W722 AromaticContact CD2-CD2 3.92Å; H540-W722 AromaticContact CD2-CE3 3.71Å; H540-W722 PolarHBondContact CD2-O 3.34Å; I565-W722 HydrophobicContact CD1-CB 4.48Å; W722-K724 HydrophobicContact CH2-CD 4.07Å; W722-K724 HydrophobicContact CZ2-CB 4.21Å; W722-K724 HydrophobicContact CZ2-CD 3.95Å; W722-K724 HydrophobicContact CZ2-CG 4.34Å; W722-S737 WeakPolarHBondContact CH2-OG 3.24Å; W722-S737 VanDerWaalsContact CZ3-OG 3.28Å; W722-S737 WeakPolarHBondContact CZ3-OG 3.23Å; W722-Y738 AromaticContact CE3-CD1 3.76Å; W722-Y738 HydrophobicContact CE3-CD1 3.76Å; W722-Y738 AromaticContact CE3-CE1 3.65Å; W722-Y738 HydrophobicContact CE3-CE1 3.65Å; W722-Y738 AromaticContact CZ3-CD1 3.94Å; W722-Y738 HydrophobicContact CZ3-CD1 3.94Å; W722-Y738 HydrophobicContact CZ3-CE1 4.12Å; W722-Y738 HydrophobicContact CZ3-CG 4.28Å; W722-S741 VanDerWaalsContact CE2-OG 3.28Å; W722-S741 VanDerWaalsContact CZ2-OG 3.26Å; W722-S741 WeakPolarHBondContact CZ2-OG 3.3Å; W722-S741 PolarHBondContact NE1-OG 3.47Å; W722-E743 PolarHBondContact NE1-OE2 3.48Å; W722-V744 HydrophobicContact CD2-CG2 4.02Å; W722-V744 HydrophobicContact CE3-CG2 4.25Å; W722-V744 HydrophobicContact CG-CG2 4.16Å
723Q70.4Confident69.7Low54 Ų5467.8 Ų67.825%0.25234%0.343SS..  trans-102.8102.1179.8-67.2-178.3-9.700111.4V564 E721V564-Q723 VanDerWaalsContact CG1-CD 3.45Å; V564-Q723 HydrophobicContact CG1-CG 3.92Å; E721-Q723 HydrophobicContact CG-CG 4.42Å
724K63.2Low69.9Low94 Ų9462.3 Ų62.341%0.40932%0.317SS..PPolyproline II helixtrans-93.2149166.1-160174.4-178.6175.20109.9H540 W722 F726H540-K724 WeakPolarHBondContact NE2-CB 3.25Å; H540-K724 PolarHBondContact NE2-N 2.8Å; H540-K724 VanDerWaalsContact NE2-N 3.2Å; W722-K724 HydrophobicContact CH2-CD 4.07Å; W722-K724 HydrophobicContact CZ2-CB 4.21Å; W722-K724 HydrophobicContact CZ2-CD 3.95Å; W722-K724 HydrophobicContact CZ2-CG 4.34Å; K724-F726 PolarHBondContact O-N 3.05Å
725S54.4Low70.5Confident74 Ų7462.7 Ų62.752%0.51732%0.319SS..PPolyproline II helixtrans-52.3131.6174.7-18.40000110.4K567 S727K567-S725 PolarHBondContact NZ-OG 3.01Å; S725-S727 PolarHBondContact O-N 3.14Å
726F52.3Low70.8Confident93 Ų9361 Ų6141%0.40832%0.316SS..PPolyproline II helixtrans-57120.6178.1178.3-109.5000111Y542 K724 P728Y542-F726 HydrophobicContact CD1-CD2 4.28Å; Y542-F726 HydrophobicContact CD1-CE2 4.35Å; Y542-F726 AromaticContact CE1-CD2 3.5Å; Y542-F726 HydrophobicContact CE1-CD2 3.5Å; Y542-F726 AromaticContact CE1-CE2 3.62Å; Y542-F726 HydrophobicContact CE1-CE2 3.62Å; Y542-F726 HydrophobicContact CE2-CD2 4.1Å; Y542-F726 AromaticContact CZ-CD2 3.38Å; Y542-F726 AromaticContact CZ-CE2 3.97Å; Y542-F726 VanDerWaalsContact OH-CD2 3.25Å; Y542-F726 WeakPolarHBondContact OH-CD2 3.4Å; K724-F726 PolarHBondContact O-N 3.05Å; F726-P728 HydrophobicContact CE1-CG 3.84Å; F726-P728 HydrophobicContact CZ-CG 3.82Å
727S56.1Low71.1Confident50 Ų5053.2 Ų53.235%0.3529%0.288SS..  trans-131.3130.3155.9167.70000105.8S725 L729 A730S725-S727 PolarHBondContact O-N 3.14Å; S727-L729 PolarHBondContact O-N 2.77Å; S727-L729 PolarHBondContact OG-N 3.39Å; S727-A730 WeakPolarHBondContact O-CA 3.26Å; S727-A730 WeakPolarHBondContact O-CB 3.49Å; S727-A730 PolarHBondContact O-N 3.27Å
728P50.4Low71.2Confident69 Ų6950 Ų5045%0.44828%0.276SS..THydrogen-bonded Turntrans-56-30.1175.3-26.534.1000113F726 A730 I731F726-P728 HydrophobicContact CE1-CG 3.84Å; F726-P728 HydrophobicContact CZ-CG 3.82Å; P728-A730 PolarHBondContact O-N 3.4Å; P728-I731 WeakPolarHBondContact O-CG1 3.39Å; P728-I731 PolarHBondContact O-N 2.94Å
729L54.1Low71.2Confident151 Ų15149.4 Ų49.479%0.79127%0.272SS*.THydrogen-bonded Turntrans-68.6-17.2171.9-73.7134.8000112.8S727 I731S727-L729 PolarHBondContact O-N 2.77Å; S727-L729 PolarHBondContact OG-N 3.39Å; L729-I731 VanDerWaalsContact C-N 3.3Å; L729-I731 PolarHBondContact O-N 3.46Å
730A56.4Low71Confident19 Ų1952.1 Ų52.116%0.15729%0.292CS..Hα-helixtrans-77.4-5.9178.700000113.8S727 P728 G733 A734S727-A730 WeakPolarHBondContact O-CA 3.26Å; S727-A730 WeakPolarHBondContact O-CB 3.49Å; S727-A730 PolarHBondContact O-N 3.27Å; P728-A730 PolarHBondContact O-N 3.4Å; A730-G733 CarbonylContact O-C 3.29Å; A730-G733 PolarHBondContact O-N 3.16Å; A730-A734 WeakPolarHBondContact O-CA 2.85Å; A730-A734 WeakPolarHBondContact O-CB 3.38Å; A730-A734 PolarHBondContact O-N 2.79Å
731I57.9Low70.9Confident50 Ų5050.9 Ų50.926%0.25629%0.287SS..Hα-helixtrans-61.2-52.7178.4-63.7171.2000110.6P544 P728 L729P544-I731 HydrophobicContact CG-CG2 4.27Å; P728-I731 WeakPolarHBondContact O-CG1 3.39Å; P728-I731 PolarHBondContact O-N 2.94Å; L729-I731 VanDerWaalsContact C-N 3.3Å; L729-I731 PolarHBondContact O-N 3.46Å
732L56.6Low70.9Confident150 Ų15052.6 Ų52.679%0.78530%0.295SS*.Hα-helixtrans-73.9-31.6175.4-75.2154.5000111.9
733G67.9Low71Confident35 Ų3554.1 Ų54.136%0.36130%0.302SS..Hα-helixtrans-69.7-31.2177.500000113.5A730 H735 N736 S737A730-G733 CarbonylContact O-C 3.29Å; A730-G733 PolarHBondContact O-N 3.16Å; G733-H735 PolarHBondContact O-N 3.11Å; G733-N736 PolarHBondContact O-N 3.13Å; G733-S737 WeakPolarHBondContact O-CB 3.31Å; G733-S737 PolarHBondContact O-N 3.45Å; G733-S737 PolarHBondContact O-OG 2.73Å
734A74.8Confident71.9Confident1 Ų151.6 Ų51.61%0.00829%0.291CS..Hα-helixtrans-60.2-51.2-173.500000110.4H540 D543 A730 N736 S737H540-A734 HydrophobicContact CB-CB 4.49Å; D543-A734 HydrophobicContact CB-CB 4.24Å; A730-A734 WeakPolarHBondContact O-CA 2.85Å; A730-A734 WeakPolarHBondContact O-CB 3.38Å; A730-A734 PolarHBondContact O-N 2.79Å; A734-N736 PolarHBondContact O-N 3.47Å; A734-N736 VanDerWaalsContact O-N 3.16Å; A734-S737 WeakPolarHBondContact CA-OG 2.97Å; A734-S737 PolarHBondContact O-N 3.13Å; A734-S737 PolarHBondContact O-OG 2.94Å
735H84.6Confident73.3Confident21 Ų2147.1 Ų47.110%0.09727%0.271CS..Hα-helixtrans-56.2-34.8-178.7-167.368.5000113.5H335 S336 G455 D543 G733 Y738H335-H735 AromaticContact CE1-CD2 3.8Å; H335-H735 AromaticContact CE1-NE2 3.51Å; H335-H735 AromaticContact NE2-CD2 3.98Å; H335-H735 AromaticContact NE2-CE1 3.93Å; H335-H735 AromaticContact NE2-NE2 3.76Å; H335-H735 PolarHBondContact NE2-O 2.77Å; S336-H735 VanDerWaalsContact CB-NE2 3.29Å; S336-H735 WeakPolarHBondContact CB-NE2 3.41Å; S336-H735 PolarHBondContact OG-CE1 3.36Å; S336-H735 PolarHBondContact OG-NE2 2.77Å; S336-H735 VanDerWaalsContact OG-NE2 3.08Å; G455-H735 PolarHBondContact O-CE1 2.9Å; G455-H735 VanDerWaalsContact O-CE1 3.25Å; D543-H735 VanDerWaalsContact CG-ND1 3.31Å; D543-H735 IonicContact OD1-CG 3.84Å; D543-H735 IonicContact OD1-ND1 2.7Å; D543-H735 PolarHBondContact OD1-ND1 2.88Å; D543-H735 VanDerWaalsContact OD1-ND1 3.08Å; D543-H735 WeakPolarHBondContact OD2-CA 3.16Å; D543-H735 IonicContact OD2-CE1 3.5Å; D543-H735 IonicContact OD2-CG 2.93Å; D543-H735 IonicContact OD2-ND1 3.32Å; D543-H735 PolarHBondContact OD2-ND1 2.97Å; G733-H735 PolarHBondContact O-N 3.11Å; H735-Y738 VanDerWaalsContact O-CD2 3.24Å; H735-Y738 WeakPolarHBondContact O-CD2 3.33Å
736N81.5Confident75Confident98 Ų9845.2 Ų45.252%0.52425%0.254SS..Hα-helixtrans-95.9-6.7179.8-66.6-42.3000113.3G733 A734 W739G733-N736 PolarHBondContact O-N 3.13Å; A734-N736 PolarHBondContact O-N 3.47Å; A734-N736 VanDerWaalsContact O-N 3.16Å; N736-W739 VanDerWaalsContact O-CD1 3.28Å
737S85.2Confident76.8Confident11 Ų1141.6 Ų41.68%0.07724%0.238CC..Hα-helixtrans-85.9-13.1-172.165.80000114.7W722 G733 A734 W739 S740 S741W722-S737 WeakPolarHBondContact CH2-OG 3.24Å; W722-S737 VanDerWaalsContact CZ3-OG 3.28Å; W722-S737 WeakPolarHBondContact CZ3-OG 3.23Å; G733-S737 WeakPolarHBondContact O-CB 3.31Å; G733-S737 PolarHBondContact O-N 3.45Å; G733-S737 PolarHBondContact O-OG 2.73Å; A734-S737 WeakPolarHBondContact CA-OG 2.97Å; A734-S737 PolarHBondContact O-N 3.13Å; A734-S737 PolarHBondContact O-OG 2.94Å; S737-W739 PolarHBondContact O-N 3.46Å; S737-S740 PolarHBondContact O-N 2.88Å; S737-S740 PolarHBondContact O-OG 3.15Å; S737-S740 VanDerWaalsContact O-OG 3.06Å; S737-S741 PolarHBondContact O-N 2.88Å
738Y88.8Confident78.6Confident0 Ų039.2 Ų39.20%022%0.221CC..G310 helixtrans-51.6-41.5177.5-66.1-80.3000112.5I454 I538 F539 H540 D543 W722 H735 S740 S741 V744I454-Y738 HydrophobicContact CB-CD1 4.11Å; I454-Y738 HydrophobicContact CB-CG 4.14Å; I454-Y738 HydrophobicContact CD1-CG 4.39Å; I454-Y738 HydrophobicContact CG2-CD1 4.3Å; I538-Y738 HydrophobicContact CG2-CE1 4.32Å; F539-Y738 WeakPolarHBondContact CA-OH 3.44Å; H540-Y738 HydrophobicContact CB-CE1 4.48Å; H540-Y738 WeakPolarHBondContact CB-OH 3.14Å; H540-Y738 PolarHBondContact N-OH 3.06Å; D543-Y738 WeakPolarHBondContact OD2-CE2 3.43Å; D543-Y738 PolarHBondContact OD2-OH 3.49Å; W722-Y738 AromaticContact CE3-CD1 3.76Å; W722-Y738 HydrophobicContact CE3-CD1 3.76Å; W722-Y738 AromaticContact CE3-CE1 3.65Å; W722-Y738 HydrophobicContact CE3-CE1 3.65Å; W722-Y738 AromaticContact CZ3-CD1 3.94Å; W722-Y738 HydrophobicContact CZ3-CD1 3.94Å; W722-Y738 HydrophobicContact CZ3-CE1 4.12Å; W722-Y738 HydrophobicContact CZ3-CG 4.28Å; H735-Y738 VanDerWaalsContact O-CD2 3.24Å; H735-Y738 WeakPolarHBondContact O-CD2 3.33Å; Y738-S740 PolarHBondContact O-N 3.29Å; Y738-S741 PolarHBondContact O-N 3.13Å; Y738-V744 HydrophobicContact CD1-CG2 4.19Å
739W88.7Confident80.5Confident7 Ų736.1 Ų36.13%0.02720%0.201CC..G310 helixtrans-60.6-17.7-178.7-50.1119000114.9V209 E223 K226 I227 T230 L333 H335 I454 N736 S737V209-W739 HydrophobicContact CG1-CH2 3.71Å; V209-W739 HydrophobicContact CG1-CZ3 3.46Å; V209-W739 VanDerWaalsContact CG1-CZ3 3.46Å; E223-W739 HydrophobicContact CB-CD2 3.87Å; E223-W739 HydrophobicContact CB-CE3 4.43Å; E223-W739 HydrophobicContact CB-CG 3.96Å; E223-W739 HydrophobicContact CB-CZ2 4.36Å; E223-W739 HydrophobicContact CG-CG 4.46Å; K226-W739 CarbonylContact C-O 3.54Å; K226-W739 VanDerWaalsContact C-O 3.29Å; K226-W739 HydrophobicContact CB-CB 4.18Å; K226-W739 HydrophobicContact CD-CB 4.3Å; I227-W739 WeakPolarHBondContact CA-O 3.26Å; I227-W739 HydrophobicContact CB-CE3 4.24Å; I227-W739 HydrophobicContact CG2-CE3 4.25Å; I227-W739 PolarHBondContact N-O 2.84Å; I227-W739 VanDerWaalsContact N-O 3.16Å; T230-W739 PolarHBondContact OG1-O 3.28Å; L333-W739 HydrophobicContact CD2-CE3 4.29Å; L333-W739 HydrophobicContact CD2-CZ3 3.7Å; L333-W739 HydrophobicContact CG-CZ3 4.21Å; H335-W739 HydrophobicContact CB-CH2 3.43Å; H335-W739 VanDerWaalsContact CB-CH2 3.43Å; H335-W739 HydrophobicContact CB-CZ2 3.32Å; H335-W739 AromaticContact CG-CH2 3.99Å; H335-W739 AromaticContact CG-CZ2 3.36Å; H335-W739 AromaticContact ND1-CZ2 3.62Å; I454-W739 HydrophobicContact CD1-CD2 4.5Å; I454-W739 HydrophobicContact CD1-CE3 4.1Å; I454-W739 HydrophobicContact CD1-CH2 3.87Å; I454-W739 HydrophobicContact CD1-CZ2 4.27Å; I454-W739 HydrophobicContact CD1-CZ3 3.76Å; N736-W739 VanDerWaalsContact O-CD1 3.28Å; S737-W739 PolarHBondContact O-N 3.46Å
740S87Confident82.2Confident58 Ų5833.6 Ų33.641%0.40618%0.181SC..G310 helixtrans-122.16.2-175.962.70000113.6S737 Y738S737-S740 PolarHBondContact O-N 2.88Å; S737-S740 PolarHBondContact O-OG 3.15Å; S737-S740 VanDerWaalsContact O-OG 3.06Å; Y738-S740 PolarHBondContact O-N 3.29Å
741S87.3Confident83.8Confident4 Ų434.2 Ų34.23%0.02818%0.181CC..  trans-79.1124.1179.51700000110.9T230 W722 S737 Y738 E743 V744 A745T230-S741 WeakPolarHBondContact CG2-O 3.44Å; W722-S741 VanDerWaalsContact CE2-OG 3.28Å; W722-S741 VanDerWaalsContact CZ2-OG 3.26Å; W722-S741 WeakPolarHBondContact CZ2-OG 3.3Å; W722-S741 PolarHBondContact NE1-OG 3.47Å; S737-S741 PolarHBondContact O-N 2.88Å; Y738-S741 PolarHBondContact O-N 3.13Å; S741-E743 VanDerWaalsContact C-N 3.29Å; S741-E743 PolarHBondContact OG-N 3.49Å; S741-E743 PolarHBondContact OG-OE2 3.19Å; S741-V744 WeakPolarHBondContact OG-CG2 3.49Å; S741-V744 PolarHBondContact OG-N 2.97Å; S741-A745 VanDerWaalsContact O-CB 3.3Å; S741-A745 WeakPolarHBondContact O-CB 3.37Å; S741-A745 PolarHBondContact O-N 2.84Å; S741-A745 VanDerWaalsContact O-N 3.07Å
742H87.6Confident85.4Confident63 Ų6332.5 Ų32.529%0.29217%0.172SC..Hα-helixtrans-70-31.4173.7-61.292.3000111.2V234 I570 F746V234-H742 HydrophobicContact CG2-CB 4.01Å; I570-H742 HydrophobicContact CD1-CB 4.5Å; I570-H742 WeakPolarHBondContact CD1-CD2 3.31Å; I570-H742 HydrophobicContact CG1-CB 4.17Å; H742-F746 VanDerWaalsContact O-CB 3.28Å; H742-F746 WeakPolarHBondContact O-CB 3.39Å; H742-F746 PolarHBondContact O-N 3.04Å
743E85.6Confident86.9Confident34 Ų3426.4 Ų26.416%0.15914%0.14CC..Hα-helixtrans-69.1-45.7178.4-56.580.8-177.700111.4I565 W722 S741 F746 F747I565-E743 HydrophobicContact CG2-CB 4.12Å; W722-E743 PolarHBondContact NE1-OE2 3.48Å; S741-E743 VanDerWaalsContact C-N 3.29Å; S741-E743 PolarHBondContact OG-N 3.49Å; S741-E743 PolarHBondContact OG-OE2 3.19Å; E743-F746 PolarHBondContact O-N 3.34Å; E743-F747 WeakPolarHBondContact O-CB 3.47Å; E743-F747 PolarHBondContact O-N 2.86Å
744V89.8Confident87.7Confident1 Ų125.6 Ų25.61%0.00613%0.131CC..Hα-helixtrans-63.8-44.2174.6176.50000110.3I538 W722 Y738 S741 F746 F747 M748I538-V744 HydrophobicContact CD1-CG1 4.38Å; I538-V744 HydrophobicContact CG2-CG2 4.27Å; W722-V744 HydrophobicContact CD2-CG2 4.02Å; W722-V744 HydrophobicContact CE3-CG2 4.25Å; W722-V744 HydrophobicContact CG-CG2 4.16Å; Y738-V744 HydrophobicContact CD1-CG2 4.19Å; S741-V744 WeakPolarHBondContact OG-CG2 3.49Å; S741-V744 PolarHBondContact OG-N 2.97Å; V744-F746 PolarHBondContact O-N 2.94Å; V744-F747 PolarHBondContact O-N 2.87Å; V744-M748 HydrophobicContact CG1-SD 4.34Å; V744-M748 WeakPolarHBondContact O-CG 3.36Å; V744-M748 PolarHBondContact O-N 2.91Å
745A92.1Very high88Confident0 Ų027.9 Ų27.90%015%0.146CC..Hα-helixtrans-60.7-44.3176.400000112.5T230 V234 S741 M748 L749T230-A745 HydrophobicContact CG2-CB 3.84Å; V234-A745 HydrophobicContact CG2-CB 4.09Å; S741-A745 VanDerWaalsContact O-CB 3.3Å; S741-A745 WeakPolarHBondContact O-CB 3.37Å; S741-A745 PolarHBondContact O-N 2.84Å; S741-A745 VanDerWaalsContact O-N 3.07Å; A745-M748 PolarHBondContact O-N 3.43Å; A745-L749 VanDerWaalsContact O-CG 3.31Å; A745-L749 WeakPolarHBondContact O-CG 3.26Å; A745-L749 PolarHBondContact O-N 3.47Å
746F89.6Confident87.5Confident35 Ų3527.7 Ų27.715%0.15415%0.147CC..Hα-helixtrans-62.4-45.5174.9175.7-110.5000111.5V234 L238 Y239 L573 H742 E743 V744 M748 L749 Y750 P756V234-F746 HydrophobicContact CG1-CB 3.84Å; V234-F746 HydrophobicContact CG1-CD2 4.15Å; V234-F746 HydrophobicContact CG1-CG 4.5Å; L238-F746 HydrophobicContact CD1-CD2 3.41Å; L238-F746 VanDerWaalsContact CD1-CD2 3.41Å; L238-F746 HydrophobicContact CD1-CE2 3.71Å; L238-F746 HydrophobicContact CD1-CG 4.2Å; Y239-F746 HydrophobicContact CE2-CD2 4.17Å; Y239-F746 HydrophobicContact CE2-CE2 4.06Å; L573-F746 HydrophobicContact CD1-CB 4.12Å; L573-F746 HydrophobicContact CD1-CD1 3.97Å; L573-F746 HydrophobicContact CD1-CD2 4.22Å; L573-F746 HydrophobicContact CD1-CE1 4.47Å; L573-F746 HydrophobicContact CD1-CG 3.83Å; L573-F746 HydrophobicContact CD2-CD1 4.08Å; L573-F746 HydrophobicContact CD2-CE1 3.88Å; L573-F746 HydrophobicContact CD2-CZ 4.3Å; H742-F746 VanDerWaalsContact O-CB 3.28Å; H742-F746 WeakPolarHBondContact O-CB 3.39Å; H742-F746 PolarHBondContact O-N 3.04Å; E743-F746 PolarHBondContact O-N 3.34Å; V744-F746 PolarHBondContact O-N 2.94Å; F746-M748 VanDerWaalsContact C-N 3.33Å; F746-M748 PolarHBondContact O-N 3.01Å; F746-L749 PolarHBondContact O-N 2.81Å; F746-Y750 HydrophobicContact CZ-CD2 4.17Å; F746-Y750 WeakPolarHBondContact O-CB 3.22Å; F746-Y750 PolarHBondContact O-N 2.99Å; F746-P756 HydrophobicContact CE2-CG 4.31Å
747F90.5Very high87Confident17 Ų1725.5 Ų25.58%0.07513%0.133CC..Hα-helixtrans-56.5-48176.1176.4-94.7000111.2F452 F536 I538 I565 Y720 E743 V744 L749 Y750 Q751F452-F747 HydrophobicContact CD1-CE1 4.45Å; F452-F747 HydrophobicContact CE1-CE1 4.25Å; F536-F747 HydrophobicContact CB-CE1 4.17Å; F536-F747 HydrophobicContact CD1-CE1 4.01Å; F536-F747 AromaticContact CD1-CZ 3.7Å; F536-F747 HydrophobicContact CD1-CZ 3.7Å; F536-F747 HydrophobicContact CE1-CZ 4.2Å; F536-F747 HydrophobicContact CG-CE1 4.11Å; F536-F747 HydrophobicContact CG-CZ 4.27Å; I538-F747 HydrophobicContact CD1-CD1 3.62Å; I538-F747 HydrophobicContact CD1-CE1 3.7Å; I538-F747 HydrophobicContact CG1-CD1 4.39Å; I538-F747 HydrophobicContact CG1-CE1 4.13Å; I565-F747 HydrophobicContact CD1-CB 4.19Å; I565-F747 HydrophobicContact CD1-CD1 4.45Å; I565-F747 HydrophobicContact CD1-CD2 4.16Å; I565-F747 HydrophobicContact CD1-CG 4Å; I565-F747 HydrophobicContact CG1-CD2 4.21Å; I565-F747 HydrophobicContact CG2-CB 4.39Å; Y720-F747 HydrophobicContact CD1-CD2 4.48Å; Y720-F747 AromaticContact CD1-CE2 3.52Å; Y720-F747 HydrophobicContact CD1-CE2 3.52Å; Y720-F747 AromaticContact CD1-CZ 3.79Å; Y720-F747 HydrophobicContact CD1-CZ 3.79Å; Y720-F747 HydrophobicContact CD2-CE2 4.44Å; Y720-F747 AromaticContact CD2-CZ 3.86Å; Y720-F747 HydrophobicContact CD2-CZ 3.86Å; Y720-F747 AromaticContact CE1-CE2 3.54Å; Y720-F747 HydrophobicContact CE1-CE2 3.54Å; Y720-F747 AromaticContact CE1-CZ 3.81Å; Y720-F747 HydrophobicContact CE1-CZ 3.81Å; Y720-F747 HydrophobicContact CE2-CE2 4.49Å; Y720-F747 AromaticContact CE2-CZ 3.91Å; Y720-F747 HydrophobicContact CE2-CZ 3.91Å; Y720-F747 AromaticContact CG-CE2 3.99Å; Y720-F747 HydrophobicContact CG-CE2 3.99Å; Y720-F747 AromaticContact CG-CZ 3.8Å; Y720-F747 HydrophobicContact CG-CZ 3.8Å; Y720-F747 AromaticContact CZ-CZ 3.86Å; E743-F747 WeakPolarHBondContact O-CB 3.47Å; E743-F747 PolarHBondContact O-N 2.86Å; V744-F747 PolarHBondContact O-N 2.87Å; F747-L749 PolarHBondContact O-N 3.15Å; F747-Y750 PolarHBondContact O-N 3.18Å; F747-Q751 HydrophobicContact CD1-CG 4.2Å; F747-Q751 HydrophobicContact CE1-CG 3.77Å; F747-Q751 HydrophobicContact CE2-CG 4.12Å; F747-Q751 HydrophobicContact CZ-CG 3.73Å; F747-Q751 WeakPolarHBondContact O-CG 3.29Å; F747-Q751 PolarHBondContact O-N 2.77Å
748M93.2Very high86.2Confident0 Ų028.6 Ų28.60%016%0.155CC..Hα-helixtrans-59-48.5177.1-71.2179.867.200111.9F251 L333 F452 V744 A745 F746 Y750 Q751 I752F251-M748 HydrophobicContact CE1-CE 3.94Å; F251-M748 HydrophobicContact CZ-CE 4.32Å; L333-M748 HydrophobicContact CB-CE 4.46Å; L333-M748 HydrophobicContact CD1-CE 4.2Å; L333-M748 HydrophobicContact CD1-SD 4.15Å; L333-M748 HydrophobicContact CD2-CE 4.1Å; L333-M748 HydrophobicContact CD2-SD 4.23Å; F452-M748 HydrophobicContact CD1-CG 4.05Å; F452-M748 HydrophobicContact CD2-CE 3.98Å; F452-M748 HydrophobicContact CE1-CB 4.43Å; F452-M748 HydrophobicContact CE1-CG 3.99Å; F452-M748 HydrophobicContact CE2-CE 4.14Å; F452-M748 HydrophobicContact CG-CE 4.35Å; F452-M748 HydrophobicContact CG-CG 4.41Å; F452-M748 HydrophobicContact CZ-CB 4.4Å; F452-M748 HydrophobicContact CZ-CG 4.28Å; V744-M748 HydrophobicContact CG1-SD 4.34Å; V744-M748 WeakPolarHBondContact O-CG 3.36Å; V744-M748 PolarHBondContact O-N 2.91Å; A745-M748 PolarHBondContact O-N 3.43Å; F746-M748 VanDerWaalsContact C-N 3.33Å; F746-M748 PolarHBondContact O-N 3.01Å; M748-Y750 VanDerWaalsContact C-N 3.31Å; M748-Y750 PolarHBondContact O-N 3.25Å; M748-Q751 PolarHBondContact O-N 3.09Å; M748-I752 WeakPolarHBondContact O-CB 3.36Å; M748-I752 WeakPolarHBondContact O-CD1 3.43Å; M748-I752 VanDerWaalsContact O-CG1 3.22Å; M748-I752 WeakPolarHBondContact O-CG1 3.43Å; M748-I752 PolarHBondContact O-N 3.05Å
749L91.4Very high84.8Confident3 Ų329.8 Ų29.82%0.01616%0.161CC..Hα-helixtrans-61.2-40.4178-69.9170.6000111.8V234 A235 Y239 L249 A745 F746 F747 I752 F753V234-L749 HydrophobicContact CB-CD1 4.04Å; V234-L749 HydrophobicContact CG1-CD1 3.8Å; A235-L749 HydrophobicContact CB-CD1 4.02Å; Y239-L749 HydrophobicContact CD2-CB 4.48Å; Y239-L749 HydrophobicContact CD2-CD1 4.39Å; Y239-L749 HydrophobicContact CE2-CB 3.89Å; Y239-L749 HydrophobicContact CE2-CD1 4.45Å; L249-L749 HydrophobicContact CD2-CD2 3.93Å; A745-L749 VanDerWaalsContact O-CG 3.31Å; A745-L749 WeakPolarHBondContact O-CG 3.26Å; A745-L749 PolarHBondContact O-N 3.47Å; F746-L749 PolarHBondContact O-N 2.81Å; F747-L749 PolarHBondContact O-N 3.15Å; L749-I752 PolarHBondContact O-N 3.49Å; L749-F753 HydrophobicContact CD2-CD2 3.9Å; L749-F753 HydrophobicContact CD2-CE2 3.75Å; L749-F753 PolarHBondContact O-N 3.37Å
750Y89.4Confident82.8Confident98 Ų9837.2 Ų37.238%0.38419%0.189SC..Hα-helixtrans-63.6-41.6176-172.3-82000112Y239 F746 F747 M748 G754 P755Y239-Y750 VanDerWaalsContact OH-CA 3.27Å; Y239-Y750 WeakPolarHBondContact OH-CA 3.38Å; Y239-Y750 PolarHBondContact OH-N 2.92Å; F746-Y750 HydrophobicContact CZ-CD2 4.17Å; F746-Y750 WeakPolarHBondContact O-CB 3.22Å; F746-Y750 PolarHBondContact O-N 2.99Å; F747-Y750 PolarHBondContact O-N 3.18Å; M748-Y750 VanDerWaalsContact C-N 3.31Å; M748-Y750 PolarHBondContact O-N 3.25Å; Y750-G754 CarbonylContact O-C 3.59Å; Y750-G754 WeakPolarHBondContact O-CA 3.09Å; Y750-G754 PolarHBondContact O-N 3.5Å; Y750-P755 HydrophobicContact CD2-CB 4.47Å; Y750-P755 VanDerWaalsContact CE2-CA 3.47Å; Y750-P755 HydrophobicContact CE2-CB 3.64Å
751Q90.5Very high82.6Confident32 Ų3236.2 Ų36.215%0.1518%0.178CC..Hα-helixtrans-68-37.7176.1-64.8-50.2-3400111.7F452 R534 F536 F747 M748F452-Q751 HydrophobicContact CE1-CB 4.2Å; F452-Q751 HydrophobicContact CE1-CG 4.37Å; F452-Q751 HydrophobicContact CZ-CB 4.21Å; R534-Q751 PolarHBondContact NH1-O 3.39Å; R534-Q751 VanDerWaalsContact NH1-OE1 3.14Å; R534-Q751 PolarHBondContact NH2-O 3.46Å; F536-Q751 HydrophobicContact CD1-CG 4.37Å; F536-Q751 HydrophobicContact CE1-CG 3.79Å; F536-Q751 HydrophobicContact CE2-CB 4.21Å; F536-Q751 HydrophobicContact CE2-CG 4.19Å; F536-Q751 HydrophobicContact CZ-CB 3.96Å; F536-Q751 HydrophobicContact CZ-CG 3.67Å; F747-Q751 HydrophobicContact CD1-CG 4.2Å; F747-Q751 HydrophobicContact CE1-CG 3.77Å; F747-Q751 HydrophobicContact CE2-CG 4.12Å; F747-Q751 HydrophobicContact CZ-CG 3.73Å; F747-Q751 WeakPolarHBondContact O-CG 3.29Å; F747-Q751 PolarHBondContact O-N 2.77Å; M748-Q751 PolarHBondContact O-N 3.09Å
752I90.7Very high82.4Confident14 Ų1437.8 Ų37.87%0.07219%0.186CC..Hα-helixtrans-75.9-51.7-176.4-69.1167.3000111.7H205 L249 F452 M748 L749H205-I752 HydrophobicContact CB-CG2 4.16Å; H205-I752 WeakPolarHBondContact CD2-CG2 3.32Å; L249-I752 HydrophobicContact CD1-CD1 4.07Å; L249-I752 HydrophobicContact CD2-CD1 3.8Å; F452-I752 HydrophobicContact CE2-CD1 4.3Å; F452-I752 HydrophobicContact CE2-CG1 4.45Å; F452-I752 HydrophobicContact CZ-CD1 4.38Å; F452-I752 HydrophobicContact CZ-CG1 4.22Å; M748-I752 WeakPolarHBondContact O-CB 3.36Å; M748-I752 WeakPolarHBondContact O-CD1 3.43Å; M748-I752 VanDerWaalsContact O-CG1 3.22Å; M748-I752 WeakPolarHBondContact O-CG1 3.43Å; M748-I752 PolarHBondContact O-N 3.05Å; L749-I752 PolarHBondContact O-N 3.49Å
753F89.5Confident82.1Confident22 Ų2236.4 Ų36.410%0.09618%0.18CC..Hα-helixtrans-104.9-6.3-171.6-60.9-60.9000114H205 Y239 L242 Q247 L249 L749 L759H205-F753 AromaticContact CE1-CE1 3.91Å; H205-F753 AromaticContact ND1-CE1 3.53Å; Y239-F753 HydrophobicContact CE1-CB 4.3Å; L242-F753 HydrophobicContact CD1-CB 4.28Å; L242-F753 HydrophobicContact CD1-CD1 3.92Å; L242-F753 HydrophobicContact CD1-CD2 3.83Å; L242-F753 HydrophobicContact CD1-CE1 4.16Å; L242-F753 HydrophobicContact CD1-CE2 4.07Å; L242-F753 HydrophobicContact CD1-CG 3.75Å; L242-F753 HydrophobicContact CD1-CZ 4.22Å; L242-F753 HydrophobicContact CD2-CD2 4.24Å; L242-F753 HydrophobicContact CD2-CE2 3.88Å; L242-F753 HydrophobicContact CD2-CZ 4.29Å; Q247-F753 HydrophobicContact CB-CD1 4.31Å; Q247-F753 HydrophobicContact CB-CE1 3.92Å; Q247-F753 HydrophobicContact CG-CE1 4.47Å; L249-F753 HydrophobicContact CB-CE2 3.92Å; L249-F753 HydrophobicContact CB-CZ 3.82Å; L749-F753 HydrophobicContact CD2-CD2 3.9Å; L749-F753 HydrophobicContact CD2-CE2 3.75Å; L749-F753 PolarHBondContact O-N 3.37Å; F753-L759 HydrophobicContact CB-CD1 4.25Å
754G84.2Confident81.9Confident18 Ų1836.6 Ų36.619%0.18618%0.181CC..  trans81.6-170.7-174.700000113.4Y239 Y750Y239-G754 WeakPolarHBondContact CE1-O 3.46Å; Y239-G754 PolarHBondContact OH-O 2.85Å; Y750-G754 CarbonylContact O-C 3.59Å; Y750-G754 WeakPolarHBondContact O-CA 3.09Å; Y750-G754 PolarHBondContact O-N 3.5Å
755P79.9Confident81.4Confident49 Ų4938.8 Ų38.832%0.31819%0.192SC..  trans-65140.8179.524.8-30.7000111Y750 H757 S758Y750-P755 HydrophobicContact CD2-CB 4.47Å; Y750-P755 VanDerWaalsContact CE2-CA 3.47Å; Y750-P755 HydrophobicContact CE2-CB 3.64Å; P755-H757 PolarHBondContact O-N 2.81Å; P755-S758 WeakPolarHBondContact O-CB 3.44Å; P755-S758 PolarHBondContact O-N 3.23Å; P755-S758 PolarHBondContact O-OG 3.15Å
756P74.5Confident80.7Confident17 Ų1741.4 Ų41.411%0.1121%0.205CC..G310 helixtrans-51.6-35.5-179.9-29.434.4000114.9L238 Y239 L577 F746 S758 L759L238-P756 VanDerWaalsContact O-CB 3.3Å; L238-P756 WeakPolarHBondContact O-CB 3.26Å; Y239-P756 HydrophobicContact CD1-CB 4.32Å; Y239-P756 HydrophobicContact CD1-CG 4.36Å; Y239-P756 HydrophobicContact CD2-CG 4.39Å; Y239-P756 HydrophobicContact CE1-CB 4.16Å; Y239-P756 HydrophobicContact CE1-CG 3.87Å; Y239-P756 HydrophobicContact CE2-CG 3.88Å; Y239-P756 WeakPolarHBondContact OH-CD 3.22Å; L577-P756 HydrophobicContact CD1-CB 4.39Å; L577-P756 HydrophobicContact CD1-CG 3.95Å; L577-P756 HydrophobicContact CD2-CG 4.14Å; F746-P756 HydrophobicContact CE2-CG 4.31Å; P756-S758 PolarHBondContact O-N 3.02Å; P756-L759 PolarHBondContact O-N 3.3Å
757H72.3Confident80Confident53 Ų5341.9 Ų41.925%0.24521%0.209CC..G310 helixtrans-69.9-18179.4-53-77.4000113.9L577 D581 P755 L759 R760L577-H757 WeakPolarHBondContact CD2-NE2 3.37Å; L577-H757 PolarHBondContact O-CE1 3.3Å; L577-H757 VanDerWaalsContact O-CE1 3.25Å; D581-H757 IonicContact OD1-CE1 3Å; D581-H757 IonicContact OD1-ND1 2.74Å; D581-H757 IonicContact OD2-CE1 2.63Å; P755-H757 PolarHBondContact O-N 2.81Å; H757-L759 VanDerWaalsContact C-N 3.27Å; H757-R760 PolarHBondContact ND1-NH2 3.13Å; H757-R760 VanDerWaalsContact ND1-NH2 3.17Å; H757-R760 WeakPolarHBondContact O-CB 3.27Å; H757-R760 WeakPolarHBondContact O-CG 3.49Å
758S67.7Low79.2Confident75 Ų7543.8 Ų43.852%0.52422%0.219SC..G310 helixtrans-75.2-18.917663.70000113P755 P756 R760P755-S758 WeakPolarHBondContact O-CB 3.44Å; P755-S758 PolarHBondContact O-N 3.23Å; P755-S758 PolarHBondContact O-OG 3.15Å; P756-S758 PolarHBondContact O-N 3.02Å; S758-R760 VanDerWaalsContact C-N 3.26Å; S758-R760 PolarHBondContact O-N 3.18Å
759L60.3Low78.1Confident26 Ų2647.4 Ų47.414%0.13624%0.237CC..  trans-94.142.8173.5-63.7162.3000110Y239 L242 F245 F753 P756 H757Y239-L759 HydrophobicContact CD1-CD1 3.6Å; Y239-L759 HydrophobicContact CE1-CD1 3.99Å; L242-L759 HydrophobicContact CD1-CD1 3.81Å; F245-L759 HydrophobicContact CD2-CB 4.15Å; F245-L759 VanDerWaalsContact CE2-C 3.44Å; F245-L759 HydrophobicContact CE2-CB 4.27Å; F245-L759 WeakPolarHBondContact CE2-O 3.33Å; F245-L759 HydrophobicContact CG-CD2 4.46Å; F753-L759 HydrophobicContact CB-CD1 4.25Å; P756-L759 PolarHBondContact O-N 3.3Å; H757-L759 VanDerWaalsContact C-N 3.27Å
760R46.5Very low76.9Confident162 Ų16251.5 Ų51.561%0.61126%0.258SS*.  trans-1010-177.7-89.9-169.8174.71694.1114K241 D581 H757 S758K241-R760 PolarHBondContact NZ-OXT 3.2Å; D581-R760 IonicContact OD1-CZ 2.85Å; D581-R760 VanDerWaalsContact OD1-CZ 3.29Å; D581-R760 IonicContact OD1-NH1 2.88Å; D581-R760 PolarHBondContact OD1-NH1 3.5Å; D581-R760 IonicContact OD1-NH2 3.96Å; D581-R760 PolarHBondContact OD1-NH2 3.49Å; D581-R760 IonicContact OD2-CZ 3.62Å; D581-R760 IonicContact OD2-NH1 3Å; D581-R760 IonicContact OD2-NH2 2.81Å; D581-R760 PolarHBondContact OD2-NH2 3.11Å; H757-R760 PolarHBondContact ND1-NH2 3.13Å; H757-R760 VanDerWaalsContact ND1-NH2 3.17Å; H757-R760 WeakPolarHBondContact O-CB 3.27Å; H757-R760 WeakPolarHBondContact O-CG 3.49Å; S758-R760 VanDerWaalsContact C-N 3.26Å; S758-R760 PolarHBondContact O-N 3.18Å

Retrieved 760 of 760 residues in 165.8 ms (Link to these results)

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