A0A077ZJP6_TRITR Loading...

WD40 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJP6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 513 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
1M81.5Confident85.5Confident12 Ų1249.9 Ų49.96%0.05928%0.283CS..  087.40-77.7-172.8-104.200109.3I351 I383 S384 L385 E389 V502 R504M1-I351 HydrophobicContact SD-CD1 4.43Å; M1-I383 HydrophobicContact CB-CG2 4.37Å; M1-I383 HydrophobicContact CG-CG2 4.13Å; M1-S384 CarbonylContact C-O 3.53Å; M1-S384 WeakPolarHBondContact CA-O 3.4Å; M1-S384 PolarHBondContact N-O 2.99Å; M1-S384 VanDerWaalsContact N-O 3.14Å; M1-L385 HydrophobicContact CB-CD2 4.47Å; M1-L385 HydrophobicContact CG-CD2 3.28Å; M1-L385 HydrophobicContact SD-CD2 4.3Å; M1-E389 WeakPolarHBondContact CG-OE1 3.26Å; M1-E389 PolarHBondContact N-OE1 2.92Å; M1-E389 PolarHBondContact N-OE2 2.92Å; M1-V502 HydrophobicContact CB-CG1 4.01Å; M1-R504 VanDerWaalsContact C-NH2 3.27Å; M1-R504 HydrophobicContact CB-CG 4.45Å; M1-R504 HydrophobicContact CE-CG 4.45Å; M1-R504 PolarHBondContact O-NE 3.07Å; M1-R504 PolarHBondContact O-NH2 3.4Å
2K84.8Confident86Confident96 Ų9658.5 Ų58.542%0.41732%0.315SS..EExtended strand (participates in β ladder)trans-110.7130.5167.3-176.6-177.3-177.1-174.10106.8E51 I383 S384K2-E51 IonicContact NZ-OE2 3.82Å; K2-E51 PolarHBondContact NZ-OE2 3.16Å; K2-I383 CarbonylContact O-C 3.55Å; K2-I383 WeakPolarHBondContact O-CA 3.36Å; K2-S384 PolarHBondContact N-O 3.32Å; K2-S384 PolarHBondContact O-N 3.36Å; K2-S384 PolarHBondContact O-OG 2.8Å
3V86.3Confident86.4Confident29 Ų2957.2 Ų57.218%0.17632%0.324CS..EExtended strand (participates in β ladder)trans-92.6131.7177.6-176.40000108I351 Y354 I383 V500 V502V3-I351 HydrophobicContact CG2-CG1 4.47Å; V3-I351 HydrophobicContact CG2-CG2 3.65Å; V3-Y354 HydrophobicContact CG1-CD2 4.44Å; V3-I383 HydrophobicContact CG2-CG1 4.12Å; V3-V500 HydrophobicContact CB-CG1 4.14Å; V3-V500 HydrophobicContact CG1-CG1 4.44Å; V3-V500 HydrophobicContact CG2-CG1 3.95Å; V3-V502 HydrophobicContact CG2-CG2 3.66Å
4C87.5Confident87.1Confident31 Ų3155.9 Ų55.921%0.20932%0.317CS..EExtended strand (participates in β ladder)trans-129.8129.1174.8-172.30000109.2V53 F382C4-V53 HydrophobicContact CB-CB 4.26Å; C4-V53 HydrophobicContact CB-CG2 4.1Å; C4-F382 PolarHBondContact N-O 2.63Å; C4-F382 PolarHBondContact O-N 2.79Å
5I85.6Confident87.7Confident71 Ų7154.6 Ų54.636%0.36431%0.312SS..  trans-110.9106.3172.9-51.6-175.6000105.8Y354 S381I5-Y354 VanDerWaalsContact CD1-O 3.3Å; I5-Y354 WeakPolarHBondContact CD1-O 3.47Å; I5-S381 WeakPolarHBondContact CG1-OG 3.2Å
6P85.3Confident88.3Confident8 Ų851.2 Ų51.25%0.05229%0.292CS..  trans-61.3145177.8-22.534.1000110.4A8 F10 V53 V55 L380 F382P6-A8 HydrophobicContact CB-CB 4.38Å; P6-A8 PolarHBondContact O-N 2.91Å; P6-A8 VanDerWaalsContact O-N 3.09Å; P6-F10 HydrophobicContact CB-CZ 4.44Å; P6-F10 HydrophobicContact CG-CZ 4.37Å; P6-V53 HydrophobicContact CG-CG1 4.45Å; P6-V55 HydrophobicContact CB-CG2 4.34Å; P6-V55 HydrophobicContact CG-CG1 4.34Å; P6-L380 WeakPolarHBondContact CD-O 3.25Å; P6-F382 HydrophobicContact CG-CD2 3.71Å; P6-F382 HydrophobicContact CG-CE2 3.79Å
7S80.3Confident88.8Confident135 Ų13549.6 Ų49.694%0.94428%0.283SS*.  trans-72.55.9173.556.40000113.9
8A82.8Confident89.3Confident30 Ų3046.8 Ų46.825%0.24827%0.267CS..  trans-71.9133.4-178.100000111.1P6 F10 V55P6-A8 HydrophobicContact CB-CB 4.38Å; P6-A8 PolarHBondContact O-N 2.91Å; P6-A8 VanDerWaalsContact O-N 3.09Å; A8-F10 HydrophobicContact CB-CE2 4.32Å; A8-F10 HydrophobicContact CB-CZ 4.36Å; A8-F10 WeakPolarHBondContact O-CD2 3.11Å; A8-F10 PolarHBondContact O-N 3.32Å; A8-V55 HydrophobicContact CB-CG2 3.17Å
9E85.5Confident89.7Confident137 Ų13744.4 Ų44.464%0.6425%0.253SS*.  trans-80.385.2176.7-160.5-171.2169.600110.4H11 K12E9-H11 PolarHBondContact O-N 3.45Å; E9-K12 WeakPolarHBondContact OE1-CA 3.29Å
10F89.4Confident90.2Very high0 Ų042.3 Ų42.30%024%0.241CC..G310 helixtrans-63.9130.8174.1-57.7-86.3000109.7P6 A8 K12 G13 I16 W42 V55 L380 F382P6-F10 HydrophobicContact CB-CZ 4.44Å; P6-F10 HydrophobicContact CG-CZ 4.37Å; A8-F10 HydrophobicContact CB-CE2 4.32Å; A8-F10 HydrophobicContact CB-CZ 4.36Å; A8-F10 WeakPolarHBondContact O-CD2 3.11Å; A8-F10 PolarHBondContact O-N 3.32Å; F10-K12 PolarHBondContact O-N 2.66Å; F10-G13 PolarHBondContact O-N 2.94Å; F10-I16 HydrophobicContact CB-CD1 3.6Å; F10-I16 HydrophobicContact CG-CD1 4.14Å; F10-W42 HydrophobicContact CB-CZ2 4.39Å; F10-W42 HydrophobicContact CD1-CD2 4.15Å; F10-W42 AromaticContact CD1-CE2 3.93Å; F10-W42 HydrophobicContact CD1-CE3 4.4Å; F10-W42 HydrophobicContact CD1-CH2 4.26Å; F10-W42 AromaticContact CD1-CZ2 3.99Å; F10-W42 HydrophobicContact CD1-CZ2 3.99Å; F10-W42 HydrophobicContact CD1-CZ3 4.44Å; F10-W42 HydrophobicContact CE1-CD2 4.4Å; F10-V55 HydrophobicContact CE1-CB 4.26Å; F10-V55 HydrophobicContact CE1-CG1 4.21Å; F10-V55 HydrophobicContact CE1-CG2 3.66Å; F10-V55 HydrophobicContact CZ-CB 4.39Å; F10-V55 HydrophobicContact CZ-CG1 4.11Å; F10-V55 HydrophobicContact CZ-CG2 3.6Å; F10-L380 HydrophobicContact CD1-CD1 3.86Å; F10-L380 HydrophobicContact CD1-CG 4.1Å; F10-L380 HydrophobicContact CD2-CB 4.45Å; F10-L380 HydrophobicContact CD2-CG 4.31Å; F10-L380 HydrophobicContact CE1-CB 4.33Å; F10-L380 HydrophobicContact CE1-CD1 3.48Å; F10-L380 VanDerWaalsContact CE1-CD1 3.48Å; F10-L380 HydrophobicContact CE1-CG 3.96Å; F10-L380 HydrophobicContact CE2-CB 3.95Å; F10-L380 HydrophobicContact CE2-CG 4.19Å; F10-L380 HydrophobicContact CG-CG 4.27Å; F10-L380 HydrophobicContact CZ-CB 3.87Å; F10-L380 HydrophobicContact CZ-CD1 3.87Å; F10-L380 HydrophobicContact CZ-CG 4.01Å; F10-F382 HydrophobicContact CZ-CE2 4.22Å
11H91.8Very high90.5Very high0 Ų040.4 Ų40.40%023%0.23CC..G310 helixtrans49.320.3175.9-63.4-77.8000116.5E9 V14 T32 A34 N36 D38 R40E9-H11 PolarHBondContact O-N 3.45Å; H11-V14 HydrophobicContact CB-CG2 3.69Å; H11-V14 WeakPolarHBondContact O-CG2 3.38Å; H11-T32 PolarHBondContact NE2-OG1 2.71Å; H11-A34 HydrophobicContact CB-CB 3.94Å; H11-N36 PolarHBondContact O-ND2 3.32Å; H11-D38 PolarHBondContact CE1-O 3.05Å; H11-D38 WeakPolarHBondContact ND1-CB 3.34Å; H11-R40 WeakPolarHBondContact ND1-CD 3.47Å; H11-R40 PolarHBondContact ND1-NE 2.77Å
12K90.9Very high91.2Very high153 Ų15340.9 Ų40.967%0.66523%0.231SC*.G310 helixtrans65.537.7-174.6-49.7178.5178.8-1780114.3E9 F10 V14E9-K12 WeakPolarHBondContact OE1-CA 3.29Å; F10-K12 PolarHBondContact O-N 2.66Å; K12-V14 VanDerWaalsContact C-N 3.25Å; K12-V14 PolarHBondContact O-N 3.45Å
13G91Very high91.6Very high42 Ų4237.6 Ų37.643%0.43322%0.216SC..SBendtrans74.76.1175.100000115.5F10F10-G13 PolarHBondContact O-N 2.94Å
14V96.1Very high91.8Very high38 Ų3841.6 Ų41.623%0.2324%0.237CC..PPolyproline II helixtrans-78.2153.7174.7-52.30000110.9H11 K12 I16 A34 I35 N36 G378H11-V14 HydrophobicContact CB-CG2 3.69Å; H11-V14 WeakPolarHBondContact O-CG2 3.38Å; K12-V14 VanDerWaalsContact C-N 3.25Å; K12-V14 PolarHBondContact O-N 3.45Å; V14-I16 PolarHBondContact O-N 3Å; V14-A34 HydrophobicContact CG2-CB 4.1Å; V14-I35 HydrophobicContact CB-CG2 4.01Å; V14-I35 HydrophobicContact CG2-CG2 4.21Å; V14-N36 HydrophobicContact CG2-CB 4.11Å; V14-G378 WeakPolarHBondContact O-CA 3.24Å
15P96.4Very high91.8Very high37 Ų3741.5 Ų41.524%0.2424%0.236CC..PPolyproline II helixtrans-46.5129.2176.8-29.329.6000114.6L17 A34 I35 M376P15-L17 HydrophobicContact CB-CD2 4.29Å; P15-A34 WeakPolarHBondContact O-CA 3.38Å; P15-I35 HydrophobicContact CB-CB 4.3Å; P15-I35 HydrophobicContact CB-CG2 3.96Å; P15-I35 HydrophobicContact CG-CG2 3.94Å; P15-I35 PolarHBondContact O-N 2.76Å; P15-I35 VanDerWaalsContact O-N 3.13Å; P15-M376 WeakPolarHBondContact CA-O 3.23Å; P15-M376 HydrophobicContact CB-SD 3.9Å; P15-M376 WeakPolarHBondContact CG-O 3.22Å
16I97.3Very high91.8Very high0 Ų043.9 Ų43.90%026%0.259CS..EExtended strand (participates in β ladder)trans-97.6121.4170.5-57.2175000107.6F10 V14 T32 G33 T360 S375 G378 L380F10-I16 HydrophobicContact CB-CD1 3.6Å; F10-I16 HydrophobicContact CG-CD1 4.14Å; V14-I16 PolarHBondContact O-N 3Å; I16-T32 HydrophobicContact CG2-CG2 4.43Å; I16-G33 WeakPolarHBondContact CG2-O 3.43Å; I16-T360 WeakPolarHBondContact O-CB 3.23Å; I16-T360 WeakPolarHBondContact O-CG2 3.37Å; I16-T360 PolarHBondContact O-OG1 2.83Å; I16-S375 PolarHBondContact N-O 2.76Å; I16-S375 VanDerWaalsContact N-O 3.16Å; I16-G378 WeakPolarHBondContact CD1-O 3.46Å; I16-L380 HydrophobicContact CD1-CD2 3.74Å; I16-L380 HydrophobicContact CD1-CG 3.92Å; I16-L380 HydrophobicContact CG2-CD2 4.18Å
17L97Very high92Very high24 Ų2444.9 Ų44.913%0.12627%0.266CS..EExtended strand (participates in β ladder)trans-97.5-25.4-172.5-56.9-178.3000112.7P15 G33 I35 S67 N69 M376P15-L17 HydrophobicContact CB-CD2 4.29Å; L17-G33 PolarHBondContact N-O 3.44Å; L17-I35 HydrophobicContact CD1-CB 4.27Å; L17-S67 WeakPolarHBondContact CD1-OG 3.35Å; L17-N69 WeakPolarHBondContact CD1-OD1 3.47Å; L17-M376 HydrophobicContact CD2-CE 4.26Å; L17-M376 HydrophobicContact CD2-SD 3.62Å
18A97.6Very high92.7Very high0 Ų041 Ų410%023%0.231CC..EExtended strand (participates in β ladder)trans-148.1148.3-179.400000112.7T32 G33 I70 V71A18-T32 VanDerWaalsContact O-CA 3.27Å; A18-T32 WeakPolarHBondContact O-CA 3.4Å; A18-G33 PolarHBondContact N-O 2.84Å; A18-G33 PolarHBondContact O-N 2.65Å; A18-I70 HydrophobicContact CB-CD1 4.47Å; A18-V71 HydrophobicContact CB-CB 4.42Å; A18-V71 HydrophobicContact CB-CG1 4.38Å; A18-V71 HydrophobicContact CB-CG2 3.83Å
19V97.9Very high93.3Very high0 Ų040.2 Ų40.20%022%0.222CC..EExtended strand (participates in β ladder)trans-141.4141.7173.863.40000110.3I30 A31 T32 R72 D361 T363 V372 L380V19-I30 HydrophobicContact CG2-CB 4.42Å; V19-I30 HydrophobicContact CG2-CD1 4.39Å; V19-A31 VanDerWaalsContact CA-O 3.3Å; V19-A31 WeakPolarHBondContact CA-O 3.16Å; V19-T32 HydrophobicContact CB-CG2 4.47Å; V19-T32 HydrophobicContact CG2-CG2 4.1Å; V19-R72 PolarHBondContact O-NH1 2.88Å; V19-D361 HydrophobicContact CG1-CB 4.16Å; V19-D361 PolarHBondContact N-OD2 3.42Å; V19-D361 VanDerWaalsContact N-OD2 3.15Å; V19-T363 HydrophobicContact CG1-CG2 4.36Å; V19-V372 HydrophobicContact CG1-CG1 4.11Å; V19-V372 HydrophobicContact CG2-CG1 3.7Å; V19-V372 HydrophobicContact CG2-CG2 4.28Å; V19-L380 HydrophobicContact CB-CD2 4.39Å; V19-L380 HydrophobicContact CG2-CD2 4.36Å
20D98.3Very high93.9Very high3 Ų333.7 Ų33.72%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-147.8144.3169.1-154.920.3000112.7R23 I30 A31 V71 R72 F73 R304 T363D20-R23 IonicContact OD1-NH2 2.8Å; D20-R23 PolarHBondContact OD1-NH2 3.39Å; D20-I30 CarbonylContact O-C 3.51Å; D20-I30 VanDerWaalsContact O-CA 3.28Å; D20-I30 WeakPolarHBondContact O-CA 3.37Å; D20-A31 PolarHBondContact N-O 3.03Å; D20-A31 PolarHBondContact O-N 3.02Å; D20-V71 HydrophobicContact CB-CG2 4.4Å; D20-R72 WeakPolarHBondContact OD2-CA 3.37Å; D20-F73 HydrophobicContact CB-CD2 4.23Å; D20-F73 PolarHBondContact OD2-N 3.33Å; D20-R304 IonicContact OD1-NH2 3.32Å; D20-R304 PolarHBondContact OD1-NH2 3.38Å; D20-R304 IonicContact OD2-NH2 3.45Å; D20-T363 VanDerWaalsContact CA-CG2 3.5Å; D20-T363 WeakPolarHBondContact OD1-CB 3.05Å; D20-T363 PolarHBondContact OD1-OG1 3.17Å
21F97.7Very high94.3Very high2 Ų233.7 Ų33.71%0.00919%0.191CC..EExtended strand (participates in β ladder)trans-81.3137.1174.4-87.9-75.7000109.8R23 Y28 I30 F73 T363 S365 F370 V372 F382F21-R23 PolarHBondContact O-N 3.2Å; F21-Y28 HydrophobicContact CE1-CD1 4.46Å; F21-I30 HydrophobicContact CD1-CG2 3.27Å; F21-I30 HydrophobicContact CD2-CG2 4.3Å; F21-I30 HydrophobicContact CE1-CG2 3.31Å; F21-I30 HydrophobicContact CE2-CG2 4.36Å; F21-I30 HydrophobicContact CG-CG2 3.79Å; F21-I30 HydrophobicContact CZ-CG2 3.88Å; F21-F73 VanDerWaalsContact C-CD2 3.45Å; F21-F73 WeakPolarHBondContact O-CD2 3.34Å; F21-T363 HydrophobicContact CD2-CG2 3.66Å; F21-T363 HydrophobicContact CE2-CG2 4.41Å; F21-T363 HydrophobicContact CG-CG2 4.44Å; F21-S365 VanDerWaalsContact CD2-N 3.27Å; F21-F370 HydrophobicContact CE2-CB 4.29Å; F21-F370 HydrophobicContact CZ-CB 3.85Å; F21-V372 HydrophobicContact CD2-CG1 3.79Å; F21-V372 HydrophobicContact CE2-CB 3.83Å; F21-V372 HydrophobicContact CE2-CG1 3.34Å; F21-V372 HydrophobicContact CZ-CB 4.19Å; F21-V372 HydrophobicContact CZ-CG1 4Å; F21-F382 HydrophobicContact CZ-CD1 4.44Å; F21-F382 HydrophobicContact CZ-CE1 4.32Å
22R96.2Very high94.6Very high23 Ų2333.7 Ų33.79%0.08719%0.191CC..PPolyproline II helixtrans-68.4129.1168.9-170.9177.7176.1-147.3-3.8108.7C25 K29 F73 G77 Y94 D119R22-C25 HydrophobicContact CB-CB 4.41Å; R22-C25 HydrophobicContact CG-CB 4.15Å; R22-C25 PolarHBondContact NH1-SG 2.8Å; R22-C25 VanDerWaalsContact NH1-SG 3.37Å; R22-K29 HydrophobicContact CB-CB 4.08Å; R22-K29 WeakPolarHBondContact CB-O 3.5Å; R22-K29 PolarHBondContact N-O 3.37Å; R22-F73 VanDerWaalsContact CA-CD2 3.49Å; R22-F73 HydrophobicContact CB-CD1 4.23Å; R22-F73 HydrophobicContact CB-CD2 4.06Å; R22-F73 HydrophobicContact CB-CE1 4.04Å; R22-F73 HydrophobicContact CB-CE2 3.81Å; R22-F73 HydrophobicContact CB-CG 4.24Å; R22-F73 HydrophobicContact CB-CZ 3.81Å; R22-F73 HydrophobicContact CG-CD1 3.99Å; R22-F73 HydrophobicContact CG-CE1 3.88Å; R22-F73 HydrophobicContact CG-CG 4.39Å; R22-F73 HydrophobicContact CG-CZ 4.15Å; R22-G77 PolarHBondContact NE-O 3.44Å; R22-Y94 PolarHBondContact NH1-OH 3.49Å; R22-Y94 PolarHBondContact NH2-OH 2.63Å; R22-D119 IonicContact CZ-OD2 3.01Å; R22-D119 IonicContact NH1-OD2 3.23Å; R22-D119 PolarHBondContact NH1-OD2 3Å; R22-D119 IonicContact NH2-OD2 2.73Å; R22-D119 PolarHBondContact NH2-OD2 3.06Å; R22-D119 VanDerWaalsContact NH2-OD2 3.16Å
23R93.9Very high94.9Very high26 Ų2626.4 Ų26.410%0.09816%0.16CC..SBendtrans-80.5156.2176.8-52.1-64.5169.2-164.4-10.5110.9D20 F21 C25 S74 H75 G77 T363 F364 D366D20-R23 IonicContact OD1-NH2 2.8Å; D20-R23 PolarHBondContact OD1-NH2 3.39Å; F21-R23 PolarHBondContact O-N 3.2Å; R23-C25 PolarHBondContact O-N 3.04Å; R23-C25 VanDerWaalsContact O-N 3.14Å; R23-S74 WeakPolarHBondContact CG-O 3.4Å; R23-H75 WeakPolarHBondContact CB-O 3.47Å; R23-G77 WeakPolarHBondContact O-CA 3.24Å; R23-T363 PolarHBondContact NH2-OG1 2.86Å; R23-F364 PolarHBondContact NH1-O 3.4Å; R23-F364 PolarHBondContact NH2-O 2.81Å; R23-D366 WeakPolarHBondContact CD-OD1 3.32Å; R23-D366 IonicContact NH1-OD1 3.59Å
24N89.6Confident95.2Very high114 Ų11424.4 Ų24.461%0.6114%0.139SC*.SBendtrans49.640.8173.8-64.7-60.3000113.8H75 D366N24-H75 PolarHBondContact ND2-O 3.4Å; N24-D366 PolarHBondContact N-OD2 3.1Å
25C86.4Confident95.3Very high29 Ų2926.3 Ų26.320%0.19615%0.147CC..  trans-114138.7-179.9-164.80000109.9R22 R23 S27R22-C25 HydrophobicContact CB-CB 4.41Å; R22-C25 HydrophobicContact CG-CB 4.15Å; R22-C25 PolarHBondContact NH1-SG 2.8Å; R22-C25 VanDerWaalsContact NH1-SG 3.37Å; R23-C25 PolarHBondContact O-N 3.04Å; R23-C25 VanDerWaalsContact O-N 3.14Å; C25-S27 WeakPolarHBondContact CB-O 3.19Å; C25-S27 PolarHBondContact O-N 2.81Å; C25-S27 PolarHBondContact SG-O 3.43Å; C25-S27 VanDerWaalsContact SG-O 3.35Å
26S86.1Confident95.2Very high120 Ų12027 Ų2784%0.83915%0.149SC*.SBendtrans-66.2-23.1178.455.40000113.2
27S90.8Very high95.2Very high29 Ų2931.5 Ų31.520%0.20317%0.169CC..SBendtrans-121.2159173.765.60000111C25 K29 E43C25-S27 WeakPolarHBondContact CB-O 3.19Å; C25-S27 PolarHBondContact O-N 2.81Å; C25-S27 PolarHBondContact SG-O 3.43Å; C25-S27 VanDerWaalsContact SG-O 3.35Å; S27-K29 PolarHBondContact O-N 2.91Å; S27-K29 WeakPolarHBondContact OG-CE 3.44Å; S27-E43 WeakPolarHBondContact CB-OE1 3.39Å; S27-E43 PolarHBondContact OG-OE1 3.31Å
28Y94.5Very high95.1Very high54 Ų5431.3 Ų31.321%0.21217%0.168CC..  trans-78.985.1-179.5-63.6-70.5000110.5F21 L44 I46 D367 F370F21-Y28 HydrophobicContact CE1-CD1 4.46Å; Y28-L44 WeakPolarHBondContact O-CB 3.38Å; Y28-L44 PolarHBondContact O-N 3.02Å; Y28-I46 HydrophobicContact CD2-CD1 3.5Å; Y28-I46 HydrophobicContact CE2-CD1 3.41Å; Y28-I46 VanDerWaalsContact CE2-CD1 3.41Å; Y28-D367 WeakPolarHBondContact CE1-OD1 3.5Å; Y28-D367 PolarHBondContact OH-OD2 3.41Å; Y28-F370 HydrophobicContact CD1-CD2 4.14Å; Y28-F370 HydrophobicContact CD2-CD2 4.48Å; Y28-F370 HydrophobicContact CD2-CE2 4.24Å; Y28-F370 AromaticContact CE1-CD2 3.78Å; Y28-F370 HydrophobicContact CE1-CD2 3.78Å; Y28-F370 HydrophobicContact CE1-CE2 4.15Å; Y28-F370 HydrophobicContact CE2-CD2 4.15Å; Y28-F370 AromaticContact CE2-CE2 3.71Å; Y28-F370 HydrophobicContact CE2-CE2 3.71Å; Y28-F370 HydrophobicContact CG-CD2 4.47Å; Y28-F370 AromaticContact CZ-CD2 3.77Å; Y28-F370 AromaticContact CZ-CE2 3.65Å
29K95.8Very high95.1Very high13 Ų1331.3 Ų31.36%0.05717%0.168CC..EExtended strand (participates in β ladder)trans-91.8138.4173.3-66.5-176.3179.8177.10110.8R22 S27 I41 W42 E43 D120R22-K29 HydrophobicContact CB-CB 4.08Å; R22-K29 WeakPolarHBondContact CB-O 3.5Å; R22-K29 PolarHBondContact N-O 3.37Å; S27-K29 PolarHBondContact O-N 2.91Å; S27-K29 WeakPolarHBondContact OG-CE 3.44Å; K29-I41 HydrophobicContact CB-CG2 4.41Å; K29-W42 CarbonylContact C-O 3.46Å; K29-W42 WeakPolarHBondContact CA-O 3.11Å; K29-E43 HydrophobicContact CG-CB 4.22Å; K29-E43 HydrophobicContact CG-CG 4.45Å; K29-D120 IonicContact NZ-OD1 3.83Å; K29-D120 PolarHBondContact NZ-OD1 3.24Å
30I97.1Very high95Very high0 Ų032.3 Ų32.30%017%0.172CC..EExtended strand (participates in β ladder)trans-124.4145.5175.757.2163.8000110.8V19 D20 F21 T32 I41 W42 L380 F382V19-I30 HydrophobicContact CG2-CB 4.42Å; V19-I30 HydrophobicContact CG2-CD1 4.39Å; D20-I30 CarbonylContact O-C 3.51Å; D20-I30 VanDerWaalsContact O-CA 3.28Å; D20-I30 WeakPolarHBondContact O-CA 3.37Å; F21-I30 HydrophobicContact CD1-CG2 3.27Å; F21-I30 HydrophobicContact CD2-CG2 4.3Å; F21-I30 HydrophobicContact CE1-CG2 3.31Å; F21-I30 HydrophobicContact CE2-CG2 4.36Å; F21-I30 HydrophobicContact CG-CG2 3.79Å; F21-I30 HydrophobicContact CZ-CG2 3.88Å; I30-T32 HydrophobicContact CD1-CG2 4.23Å; I30-I41 CarbonylContact O-C 3.53Å; I30-I41 VanDerWaalsContact O-CA 3.28Å; I30-I41 WeakPolarHBondContact O-CA 3.43Å; I30-W42 HydrophobicContact CD1-CB 4.21Å; I30-W42 HydrophobicContact CD1-CG 4.43Å; I30-W42 HydrophobicContact CG1-CB 3.76Å; I30-W42 HydrophobicContact CG1-CG 4.27Å; I30-W42 PolarHBondContact N-O 3.38Å; I30-W42 PolarHBondContact O-N 3.3Å; I30-L380 HydrophobicContact CD1-CD1 3.3Å; I30-F382 HydrophobicContact CD1-CE1 4.19Å; I30-F382 HydrophobicContact CD1-CZ 3.72Å
31A98Very high94.9Very high0 Ų032.4 Ų32.40%017%0.172CC..EExtended strand (participates in β ladder)trans-101.4144.7166.700000108.9V19 D20 R40 I41 V71 F73 L80V19-A31 VanDerWaalsContact CA-O 3.3Å; V19-A31 WeakPolarHBondContact CA-O 3.16Å; D20-A31 PolarHBondContact N-O 3.03Å; D20-A31 PolarHBondContact O-N 3.02Å; A31-R40 CarbonylContact C-O 3.49Å; A31-R40 WeakPolarHBondContact CA-O 3.31Å; A31-I41 HydrophobicContact CB-CD1 3.53Å; A31-V71 HydrophobicContact CB-CB 4.48Å; A31-V71 HydrophobicContact CB-CG2 4.18Å; A31-F73 HydrophobicContact CB-CD2 4.25Å; A31-F73 HydrophobicContact CB-CE2 3.38Å; A31-F73 HydrophobicContact CB-CZ 3.75Å; A31-L80 HydrophobicContact CB-CD1 3.91Å; A31-L80 HydrophobicContact CB-CD2 4.15Å
32T98.3Very high94.8Very high0 Ų032.9 Ų32.90%017%0.174CC..EExtended strand (participates in β ladder)trans-136.4134.2176.254.80000110.2H11 I16 A18 V19 I30 L39 R40 W42 L380H11-T32 PolarHBondContact NE2-OG1 2.71Å; I16-T32 HydrophobicContact CG2-CG2 4.43Å; A18-T32 VanDerWaalsContact O-CA 3.27Å; A18-T32 WeakPolarHBondContact O-CA 3.4Å; V19-T32 HydrophobicContact CB-CG2 4.47Å; V19-T32 HydrophobicContact CG2-CG2 4.1Å; I30-T32 HydrophobicContact CD1-CG2 4.23Å; T32-L39 WeakPolarHBondContact O-CA 3.47Å; T32-L39 WeakPolarHBondContact O-CD1 3.33Å; T32-R40 PolarHBondContact N-O 3.22Å; T32-R40 PolarHBondContact O-N 3.28Å; T32-R40 PolarHBondContact OG1-O 2.83Å; T32-W42 PolarHBondContact OG1-NE1 3.46Å; T32-L380 HydrophobicContact CG2-CD1 3.83Å; T32-L380 HydrophobicContact CG2-CD2 4.34Å
33G97.9Very high94.8Very high0 Ų033.4 Ų33.40%018%0.177CC..EExtended strand (participates in β ladder)trans-108137.1171.100000110.3I16 L17 A18 V68I16-G33 WeakPolarHBondContact CG2-O 3.43Å; L17-G33 PolarHBondContact N-O 3.44Å; A18-G33 PolarHBondContact N-O 2.84Å; A18-G33 PolarHBondContact O-N 2.65Å; G33-V68 CarbonylContact C-O 3.51Å
34A97.4Very high94.7Very high0 Ų032.6 Ų32.60%018%0.175CC..EExtended strand (participates in β ladder)trans-126.4163.4-176.900000112.5H11 V14 P15 N36 F37 D38 V68H11-A34 HydrophobicContact CB-CB 3.94Å; V14-A34 HydrophobicContact CG2-CB 4.1Å; P15-A34 WeakPolarHBondContact O-CA 3.38Å; A34-N36 VanDerWaalsContact CB-OD1 3.28Å; A34-N36 WeakPolarHBondContact CB-OD1 3.28Å; A34-N36 PolarHBondContact O-N 3.01Å; A34-F37 PolarHBondContact O-N 2.93Å; A34-D38 PolarHBondContact N-O 3.43Å; A34-D38 VanDerWaalsContact N-O 3.12Å; A34-V68 PolarHBondContact O-N 2.99Å; A34-V68 VanDerWaalsContact O-N 3.09Å
35I96.4Very high94.8Very high78 Ų7831.2 Ų31.240%0.417%0.165SC..THydrogen-bonded Turntrans-65.8-22.7-178.6-164168.4000113.5V14 P15 L17 F37 S67V14-I35 HydrophobicContact CB-CG2 4.01Å; V14-I35 HydrophobicContact CG2-CG2 4.21Å; P15-I35 HydrophobicContact CB-CB 4.3Å; P15-I35 HydrophobicContact CB-CG2 3.96Å; P15-I35 HydrophobicContact CG-CG2 3.94Å; P15-I35 PolarHBondContact O-N 2.76Å; P15-I35 VanDerWaalsContact O-N 3.13Å; L17-I35 HydrophobicContact CD1-CB 4.27Å; I35-F37 WeakPolarHBondContact O-CD1 3.37Å; I35-F37 VanDerWaalsContact O-CE1 3.23Å; I35-F37 WeakPolarHBondContact O-CE1 3.37Å; I35-F37 PolarHBondContact O-N 2.83Å; I35-S67 WeakPolarHBondContact CA-OG 3.34Å
36N95.3Very high94.8Very high51 Ų5133.3 Ų33.327%0.27317%0.173SC..THydrogen-bonded Turntrans-8719.8177.770-12000113.5H11 V14 A34 D38H11-N36 PolarHBondContact O-ND2 3.32Å; V14-N36 HydrophobicContact CG2-CB 4.11Å; A34-N36 VanDerWaalsContact CB-OD1 3.28Å; A34-N36 WeakPolarHBondContact CB-OD1 3.28Å; A34-N36 PolarHBondContact O-N 3.01Å; N36-D38 PolarHBondContact O-N 3.49Å; N36-D38 VanDerWaalsContact O-N 3.13Å; N36-D38 WeakPolarHBondContact OD1-CB 3.27Å; N36-D38 PolarHBondContact OD1-N 3.21Å
37F96.1Very high94.6Very high96 Ų9629.8 Ų29.842%0.42115%0.148SC..SBendtrans76.4-3.6171.3-32.7-24.5000113.5A34 I35 S66 V68A34-F37 PolarHBondContact O-N 2.93Å; I35-F37 WeakPolarHBondContact O-CD1 3.37Å; I35-F37 VanDerWaalsContact O-CE1 3.23Å; I35-F37 WeakPolarHBondContact O-CE1 3.37Å; I35-F37 PolarHBondContact O-N 2.83Å; F37-S66 WeakPolarHBondContact CA-O 3.41Å; F37-S66 VanDerWaalsContact CB-O 3.24Å; F37-S66 WeakPolarHBondContact CB-O 3.23Å; F37-S66 VanDerWaalsContact CD1-CA 3.42Å; F37-S66 WeakPolarHBondContact CD1-O 3.3Å; F37-S66 VanDerWaalsContact CG-C 3.5Å; F37-S66 WeakPolarHBondContact CG-O 3.48Å; F37-V68 WeakPolarHBondContact O-CG2 3.41Å
38D95.3Very high93.6Very high20 Ų2036.7 Ų36.711%0.10718%0.178CC..  trans-75.6132.3177.9-84.8-15.1000110.7H11 A34 N36 R40 K62H11-D38 PolarHBondContact CE1-O 3.05Å; H11-D38 WeakPolarHBondContact ND1-CB 3.34Å; A34-D38 PolarHBondContact N-O 3.43Å; A34-D38 VanDerWaalsContact N-O 3.12Å; N36-D38 PolarHBondContact O-N 3.49Å; N36-D38 VanDerWaalsContact O-N 3.13Å; N36-D38 WeakPolarHBondContact OD1-CB 3.27Å; N36-D38 PolarHBondContact OD1-N 3.21Å; D38-R40 HydrophobicContact CB-CG 4.48Å; D38-R40 IonicContact OD2-CZ 2.76Å; D38-R40 IonicContact OD2-NE 3.98Å; D38-R40 PolarHBondContact OD2-NE 3.23Å; D38-R40 IonicContact OD2-NH2 3.6Å; D38-R40 PolarHBondContact OD2-NH2 3.43Å; D38-K62 WeakPolarHBondContact OD1-CE 3.46Å
39L97.7Very high92.3Very high0 Ų038.7 Ų38.70%021%0.205CC..EExtended strand (participates in β ladder)trans-112.2118.9165.5171.664000107.8T32 N60 L61 V71 L80 W92T32-L39 WeakPolarHBondContact O-CA 3.47Å; T32-L39 WeakPolarHBondContact O-CD1 3.33Å; L39-N60 PolarHBondContact O-OD1 2.68Å; L39-L61 HydrophobicContact CB-CB 4.03Å; L39-L61 HydrophobicContact CD2-CB 3.8Å; L39-L61 HydrophobicContact CD2-CD1 3.66Å; L39-L61 HydrophobicContact CD2-CG 4.32Å; L39-L61 HydrophobicContact CG-CB 3.86Å; L39-L61 HydrophobicContact CG-CD1 3.87Å; L39-L61 HydrophobicContact CG-CG 4.29Å; L39-L61 WeakPolarHBondContact O-CB 3.01Å; L39-L61 PolarHBondContact O-N 3.04Å; L39-V71 HydrophobicContact CD1-CB 4.31Å; L39-V71 HydrophobicContact CD1-CG1 3.43Å; L39-V71 VanDerWaalsContact CD1-CG1 3.43Å; L39-L80 HydrophobicContact CD1-CD2 4.49Å; L39-L80 HydrophobicContact CD2-CD2 4.11Å; L39-W92 HydrophobicContact CD2-CD2 4.47Å; L39-W92 HydrophobicContact CD2-CZ2 3.73Å
40R96.5Very high90.7Very high21 Ų2145 Ų458%0.07924%0.235CC..EExtended strand (participates in β ladder)trans-125.9143.8-176.1-66.7179.3-170.7-176.616.4112.1H11 A31 T32 D38 W42 S59 N60H11-R40 WeakPolarHBondContact ND1-CD 3.47Å; H11-R40 PolarHBondContact ND1-NE 2.77Å; A31-R40 CarbonylContact C-O 3.49Å; A31-R40 WeakPolarHBondContact CA-O 3.31Å; T32-R40 PolarHBondContact N-O 3.22Å; T32-R40 PolarHBondContact O-N 3.28Å; T32-R40 PolarHBondContact OG1-O 2.83Å; D38-R40 HydrophobicContact CB-CG 4.48Å; D38-R40 IonicContact OD2-CZ 2.76Å; D38-R40 IonicContact OD2-NE 3.98Å; D38-R40 PolarHBondContact OD2-NE 3.23Å; D38-R40 IonicContact OD2-NH2 3.6Å; D38-R40 PolarHBondContact OD2-NH2 3.43Å; R40-W42 HydrophobicContact CB-CZ2 3.86Å; R40-W42 VanDerWaalsContact CD-CZ2 3.48Å; R40-W42 HydrophobicContact CG-CZ2 4.34Å; R40-S59 WeakPolarHBondContact CA-O 3.37Å; R40-N60 HydrophobicContact CG-CB 4.24Å
41I96.5Very high89.3Confident4 Ų451.9 Ų51.92%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-102.8131.5170.1-51.6-55.1000108.6K29 I30 A31 C58 S59 L61 F73 L80K29-I41 HydrophobicContact CB-CG2 4.41Å; I30-I41 CarbonylContact O-C 3.53Å; I30-I41 VanDerWaalsContact O-CA 3.28Å; I30-I41 WeakPolarHBondContact O-CA 3.43Å; A31-I41 HydrophobicContact CB-CD1 3.53Å; I41-C58 HydrophobicContact CB-CB 4.37Å; I41-C58 HydrophobicContact CG2-CB 4.2Å; I41-C58 PolarHBondContact O-N 2.81Å; I41-S59 VanDerWaalsContact CB-OG 3.32Å; I41-S59 WeakPolarHBondContact CB-OG 3.34Å; I41-S59 VanDerWaalsContact CG1-OG 3.22Å; I41-S59 WeakPolarHBondContact CG1-OG 3.28Å; I41-S59 PolarHBondContact N-O 3.34Å; I41-S59 PolarHBondContact O-N 2.81Å; I41-L61 HydrophobicContact CD1-CD1 4.06Å; I41-L61 HydrophobicContact CG1-CD1 4.01Å; I41-F73 HydrophobicContact CD1-CZ 3.99Å; I41-L80 HydrophobicContact CD1-CD2 3.95Å
42W95.7Very high88.4Confident12 Ų1254.3 Ų54.35%0.04528%0.284CS..EExtended strand (participates in β ladder)trans-122.7154.2177.1-42.582.6000109.7F10 K29 I30 T32 R40 K56 Q57F10-W42 HydrophobicContact CB-CZ2 4.39Å; F10-W42 HydrophobicContact CD1-CD2 4.15Å; F10-W42 AromaticContact CD1-CE2 3.93Å; F10-W42 HydrophobicContact CD1-CE3 4.4Å; F10-W42 HydrophobicContact CD1-CH2 4.26Å; F10-W42 AromaticContact CD1-CZ2 3.99Å; F10-W42 HydrophobicContact CD1-CZ2 3.99Å; F10-W42 HydrophobicContact CD1-CZ3 4.44Å; F10-W42 HydrophobicContact CE1-CD2 4.4Å; K29-W42 CarbonylContact C-O 3.46Å; K29-W42 WeakPolarHBondContact CA-O 3.11Å; I30-W42 HydrophobicContact CD1-CB 4.21Å; I30-W42 HydrophobicContact CD1-CG 4.43Å; I30-W42 HydrophobicContact CG1-CB 3.76Å; I30-W42 HydrophobicContact CG1-CG 4.27Å; I30-W42 PolarHBondContact N-O 3.38Å; I30-W42 PolarHBondContact O-N 3.3Å; T32-W42 PolarHBondContact OG1-NE1 3.46Å; R40-W42 HydrophobicContact CB-CZ2 3.86Å; R40-W42 VanDerWaalsContact CD-CZ2 3.48Å; R40-W42 HydrophobicContact CG-CZ2 4.34Å; W42-K56 CarbonylContact C-O 3.55Å; W42-K56 VanDerWaalsContact CA-O 3.27Å; W42-K56 WeakPolarHBondContact CA-O 3.39Å; W42-Q57 HydrophobicContact CD2-CG 4.44Å; W42-Q57 HydrophobicContact CE3-CB 3.67Å; W42-Q57 HydrophobicContact CE3-CG 3.95Å; W42-Q57 HydrophobicContact CH2-CB 4.46Å; W42-Q57 HydrophobicContact CH2-CG 4.24Å; W42-Q57 HydrophobicContact CZ3-CB 3.62Å; W42-Q57 HydrophobicContact CZ3-CG 3.84Å
43E94.4Very high87.7Confident35 Ų3555.3 Ų55.316%0.16429%0.29CS..EExtended strand (participates in β ladder)trans-116.3124.4171.4175.8165.9-129.400108.7S27 K29 V55 K56 C58S27-E43 WeakPolarHBondContact CB-OE1 3.39Å; S27-E43 PolarHBondContact OG-OE1 3.31Å; K29-E43 HydrophobicContact CG-CB 4.22Å; K29-E43 HydrophobicContact CG-CG 4.45Å; E43-V55 WeakPolarHBondContact O-CA 3.49Å; E43-K56 PolarHBondContact N-O 2.79Å; E43-K56 PolarHBondContact O-N 3.34Å; E43-C58 WeakPolarHBondContact CB-SG 3.16Å
44L93.2Very high87.3Confident8 Ų857.9 Ų57.94%0.04231%0.308CS..EExtended strand (participates in β ladder)trans-77.5123.2174.9-167.869.9000108.9Y28 I46 V53 V55 F370 F382Y28-L44 WeakPolarHBondContact O-CB 3.38Å; Y28-L44 PolarHBondContact O-N 3.02Å; L44-I46 HydrophobicContact CD2-CD1 4.48Å; L44-I46 HydrophobicContact CD2-CG1 4.35Å; L44-I46 HydrophobicContact CG-CG1 4.37Å; L44-V53 HydrophobicContact CD1-CG1 3.16Å; L44-V53 HydrophobicContact CD2-CG1 4.32Å; L44-V53 HydrophobicContact CG-CG1 3.85Å; L44-V55 HydrophobicContact CD1-CG1 3.65Å; L44-F370 HydrophobicContact CD2-CD1 4.04Å; L44-F370 HydrophobicContact CD2-CE1 4.16Å; L44-F370 HydrophobicContact CD2-CG 4.26Å; L44-F370 HydrophobicContact CD2-CZ 4.5Å; L44-F382 HydrophobicContact CD1-CD1 3.69Å; L44-F382 HydrophobicContact CD1-CD2 4.16Å; L44-F382 HydrophobicContact CD1-CE1 3.48Å; L44-F382 VanDerWaalsContact CD1-CE1 3.48Å; L44-F382 HydrophobicContact CD1-CE2 3.99Å; L44-F382 HydrophobicContact CD1-CG 4.02Å; L44-F382 HydrophobicContact CD1-CZ 3.63Å; L44-F382 HydrophobicContact CD2-CD1 3.79Å; L44-F382 HydrophobicContact CD2-CE1 3.98Å; L44-F382 HydrophobicContact CG-CD1 4.38Å; L44-F382 HydrophobicContact CG-CE1 4.25Å
45Q90.6Very high87Confident85 Ų8558.9 Ų58.940%0.39731%0.314SS..EExtended strand (participates in β ladder)trans-108.3118.8177-64.4-176.3-29.400108.2S54Q45-S54 WeakPolarHBondContact CB-OG 3.45Å; Q45-S54 PolarHBondContact N-O 2.73Å; Q45-S54 PolarHBondContact O-N 2.96Å
46I86.7Confident86.9Confident74 Ų7460.7 Ų60.738%0.37932%0.319SS..EExtended strand (participates in β ladder)trans-105.3117.5-177.5-58.6152.6000107Y28 L44 F370Y28-I46 HydrophobicContact CD2-CD1 3.5Å; Y28-I46 HydrophobicContact CE2-CD1 3.41Å; Y28-I46 VanDerWaalsContact CE2-CD1 3.41Å; L44-I46 HydrophobicContact CD2-CD1 4.48Å; L44-I46 HydrophobicContact CD2-CG1 4.35Å; L44-I46 HydrophobicContact CG-CG1 4.37Å; I46-F370 HydrophobicContact CD1-CE1 4.26Å; I46-F370 HydrophobicContact CD1-CE2 3.45Å; I46-F370 VanDerWaalsContact CD1-CE2 3.45Å; I46-F370 HydrophobicContact CD1-CZ 3.26Å; I46-F370 HydrophobicContact CG1-CE1 4.47Å; I46-F370 HydrophobicContact CG1-CE2 4.47Å; I46-F370 HydrophobicContact CG1-CZ 3.85Å
47S81.4Confident86.8Confident45 Ų4562.4 Ų62.432%0.31533%0.326SS..EExtended strand (participates in β ladder)trans-100107.8170.3-177.10000108.6A49 E50 E51 S52S47-A49 VanDerWaalsContact C-N 3.27Å; S47-A49 PolarHBondContact O-N 2.76Å; S47-E50 PolarHBondContact OG-N 2.8Å; S47-E51 PolarHBondContact O-N 2.92Å; S47-E51 VanDerWaalsContact O-N 3.17Å; S47-S52 PolarHBondContact N-O 2.9Å; S47-S52 VanDerWaalsContact N-O 3.09Å; S47-S52 PolarHBondContact O-N 2.77Å
48E71.5Confident86.6Confident175 Ų17560.5 Ų60.582%0.81832%0.323SS*.THydrogen-bonded Turntrans-64.5-35.2174.2-67.6-172.9172.900111.4E50 E51E48-E50 VanDerWaalsContact C-N 3.34Å; E48-E50 PolarHBondContact O-N 2.81Å; E48-E51 PolarHBondContact O-N 2.86Å
49A67.1Low86.5Confident96 Ų9660.9 Ų60.979%0.79333%0.328SS*.THydrogen-bonded Turntrans-65-36-178.900000113.3S47S47-A49 VanDerWaalsContact C-N 3.27Å; S47-A49 PolarHBondContact O-N 2.76Å
50E60.4Low86.2Confident145 Ų14563.5 Ų63.568%0.67834%0.342SS*.THydrogen-bonded Turntrans-101.51.4-176-64.3-67.1158.300112.6S47 E48 S52S47-E50 PolarHBondContact OG-N 2.8Å; E48-E50 VanDerWaalsContact C-N 3.34Å; E48-E50 PolarHBondContact O-N 2.81Å; E50-S52 VanDerWaalsContact CB-OG 3.28Å; E50-S52 WeakPolarHBondContact CB-OG 3.48Å; E50-S52 PolarHBondContact O-N 3.13Å
51E69.6Low86.1Confident144 Ų14462.9 Ų62.967%0.67334%0.34SS*.THydrogen-bonded Turntrans41.132.2-166.3-62.2-163.7167.700114.2K2 S47 E48K2-E51 IonicContact NZ-OE2 3.82Å; K2-E51 PolarHBondContact NZ-OE2 3.16Å; S47-E51 PolarHBondContact O-N 2.92Å; S47-E51 VanDerWaalsContact O-N 3.17Å; E48-E51 PolarHBondContact O-N 2.86Å
52S77.4Confident85.9Confident51 Ų5170 Ų7036%0.35737%0.371SS..EExtended strand (participates in β ladder)trans-113.2147.6-17167.90000110.7S47 E50S47-S52 PolarHBondContact N-O 2.9Å; S47-S52 VanDerWaalsContact N-O 3.09Å; S47-S52 PolarHBondContact O-N 2.77Å; E50-S52 VanDerWaalsContact CB-OG 3.28Å; E50-S52 WeakPolarHBondContact CB-OG 3.48Å; E50-S52 PolarHBondContact O-N 3.13Å
53V84.2Confident85.8Confident21 Ų2173.8 Ų73.813%0.12739%0.389CS..EExtended strand (participates in β ladder)trans-116.2117.6177.6-179.60000106.9C4 P6 L44 F382C4-V53 HydrophobicContact CB-CB 4.26Å; C4-V53 HydrophobicContact CB-CG2 4.1Å; P6-V53 HydrophobicContact CG-CG1 4.45Å; L44-V53 HydrophobicContact CD1-CG1 3.16Å; L44-V53 HydrophobicContact CD2-CG1 4.32Å; L44-V53 HydrophobicContact CG-CG1 3.85Å; V53-F382 HydrophobicContact CG1-CG 4.46Å
54S89.4Confident85.8Confident54 Ų5472.7 Ų72.738%0.37838%0.383SS..EExtended strand (participates in β ladder)trans-116.1163.1172.866.10000110Q45Q45-S54 WeakPolarHBondContact CB-OG 3.45Å; Q45-S54 PolarHBondContact N-O 2.73Å; Q45-S54 PolarHBondContact O-N 2.96Å
55V92.3Very high85.9Confident22 Ų2279.3 Ų79.313%0.13342%0.419CS..EExtended strand (participates in β ladder)trans-128.9137.9179-69.50000109.7P6 A8 F10 E43 L44 F382P6-V55 HydrophobicContact CB-CG2 4.34Å; P6-V55 HydrophobicContact CG-CG1 4.34Å; A8-V55 HydrophobicContact CB-CG2 3.17Å; F10-V55 HydrophobicContact CE1-CB 4.26Å; F10-V55 HydrophobicContact CE1-CG1 4.21Å; F10-V55 HydrophobicContact CE1-CG2 3.66Å; F10-V55 HydrophobicContact CZ-CB 4.39Å; F10-V55 HydrophobicContact CZ-CG1 4.11Å; F10-V55 HydrophobicContact CZ-CG2 3.6Å; E43-V55 WeakPolarHBondContact O-CA 3.49Å; L44-V55 HydrophobicContact CD1-CG1 3.65Å; V55-F382 HydrophobicContact CG1-CE2 4Å; V55-F382 HydrophobicContact CG1-CZ 3.97Å
56K93.1Very high86.2Confident115 Ų11576.3 Ų76.350%0.541%0.408SS..EExtended strand (participates in β ladder)trans-113.7130.7175.2-179.2-177.3175-172.10109.2W42 E43 C58W42-K56 CarbonylContact C-O 3.55Å; W42-K56 VanDerWaalsContact CA-O 3.27Å; W42-K56 WeakPolarHBondContact CA-O 3.39Å; E43-K56 PolarHBondContact N-O 2.79Å; E43-K56 PolarHBondContact O-N 3.34Å; K56-C58 PolarHBondContact O-N 3.48Å
57Q93.3Very high86.7Confident88 Ų8873.3 Ų73.341%0.41139%0.393SS..EExtended strand (participates in β ladder)trans-72.3122.8172.6-163.9-176.5-83.300109.8W42W42-Q57 HydrophobicContact CD2-CG 4.44Å; W42-Q57 HydrophobicContact CE3-CB 3.67Å; W42-Q57 HydrophobicContact CE3-CG 3.95Å; W42-Q57 HydrophobicContact CH2-CB 4.46Å; W42-Q57 HydrophobicContact CH2-CG 4.24Å; W42-Q57 HydrophobicContact CZ3-CB 3.62Å; W42-Q57 HydrophobicContact CZ3-CG 3.84Å
58C92.4Very high87.5Confident55 Ų5571.1 Ų71.137%0.37238%0.378SS..EExtended strand (participates in β ladder)trans-93.1-42.7177.6-57.10000111.9I41 E43 K56I41-C58 HydrophobicContact CB-CB 4.37Å; I41-C58 HydrophobicContact CG2-CB 4.2Å; I41-C58 PolarHBondContact O-N 2.81Å; E43-C58 WeakPolarHBondContact CB-SG 3.16Å; K56-C58 PolarHBondContact O-N 3.48Å
59S92Very high88.7Confident29 Ų2963.6 Ų63.620%0.20334%0.343CS..EExtended strand (participates in β ladder)trans-156158.2-177.168.30000112.7R40 I41R40-S59 WeakPolarHBondContact CA-O 3.37Å; I41-S59 VanDerWaalsContact CB-OG 3.32Å; I41-S59 WeakPolarHBondContact CB-OG 3.34Å; I41-S59 VanDerWaalsContact CG1-OG 3.22Å; I41-S59 WeakPolarHBondContact CG1-OG 3.28Å; I41-S59 PolarHBondContact N-O 3.34Å; I41-S59 PolarHBondContact O-N 2.81Å
60N92.8Very high90.2Very high54 Ų5459 Ų5929%0.28931%0.305SS..EExtended strand (participates in β ladder)trans-123.1118.6169.6-172.4-14.7000108.7L39 R40 K62L39-N60 PolarHBondContact O-OD1 2.68Å; R40-N60 HydrophobicContact CG-CB 4.24Å; N60-K62 WeakPolarHBondContact ND2-CE 3Å; N60-K62 PolarHBondContact O-N 2.66Å; N60-K62 WeakPolarHBondContact OD1-CG 3.31Å
61L94.8Very high92Very high9 Ų952.1 Ų52.15%0.04727%0.273CS..  trans-99.877.2-172.4-56.8-178.8000109.8L39 I41 H63 L80 W92 W124L39-L61 HydrophobicContact CB-CB 4.03Å; L39-L61 HydrophobicContact CD2-CB 3.8Å; L39-L61 HydrophobicContact CD2-CD1 3.66Å; L39-L61 HydrophobicContact CD2-CG 4.32Å; L39-L61 HydrophobicContact CG-CB 3.86Å; L39-L61 HydrophobicContact CG-CD1 3.87Å; L39-L61 HydrophobicContact CG-CG 4.29Å; L39-L61 WeakPolarHBondContact O-CB 3.01Å; L39-L61 PolarHBondContact O-N 3.04Å; I41-L61 HydrophobicContact CD1-CD1 4.06Å; I41-L61 HydrophobicContact CG1-CD1 4.01Å; L61-H63 PolarHBondContact O-N 2.84Å; L61-L80 HydrophobicContact CD1-CD2 3.84Å; L61-W92 HydrophobicContact CB-CE3 4.3Å; L61-W92 HydrophobicContact CB-CH2 3.73Å; L61-W92 HydrophobicContact CB-CZ2 4.22Å; L61-W92 HydrophobicContact CB-CZ3 3.8Å; L61-W92 HydrophobicContact CD1-CD2 4.36Å; L61-W92 HydrophobicContact CD1-CE3 4.36Å; L61-W92 HydrophobicContact CD2-CE3 4.37Å; L61-W92 HydrophobicContact CD2-CZ3 4.33Å; L61-W92 HydrophobicContact CG-CZ3 4.49Å; L61-W124 HydrophobicContact CD1-CB 4.33Å; L61-W124 HydrophobicContact CD1-CG 4.31Å; L61-W124 HydrophobicContact CD2-CB 3.38Å; L61-W124 HydrophobicContact CD2-CG 3.98Å
62K90.6Very high93.3Very high153 Ų15345.5 Ų45.567%0.66524%0.242SC*.  trans-83.5102.3-177.9-63-166171.1-1640111.8D38 N60D38-K62 WeakPolarHBondContact OD1-CE 3.46Å; N60-K62 WeakPolarHBondContact ND2-CE 3Å; N60-K62 PolarHBondContact O-N 2.66Å; N60-K62 WeakPolarHBondContact OD1-CG 3.31Å
63H93.6Very high94.3Very high91 Ų9143.4 Ų43.442%0.42123%0.227SC..  trans-151-16.5171.3-155.9-58000113.6L61 H90 W92 V126L61-H63 PolarHBondContact O-N 2.84Å; H63-H90 AromaticContact CE1-CE1 3.63Å; H63-H90 AromaticContact CE1-NE2 3.97Å; H63-H90 AromaticContact CG-NE2 3.83Å; H63-H90 AromaticContact ND1-CE1 3.24Å; H63-H90 PolarHBondContact ND1-CE1 2.86Å; H63-H90 AromaticContact ND1-NE2 3.14Å; H63-H90 PolarHBondContact ND1-NE2 3.07Å; H63-H90 VanDerWaalsContact ND1-NE2 3.14Å; H63-H90 PolarHBondContact O-NE2 2.91Å; H63-W92 HydrophobicContact CB-CH2 3.43Å; H63-W92 VanDerWaalsContact CB-CH2 3.43Å; H63-W92 HydrophobicContact CB-CZ2 4.08Å; H63-W92 HydrophobicContact CB-CZ3 4.26Å; H63-V126 HydrophobicContact CB-CG2 4.13Å; H63-V126 VanDerWaalsContact CD2-CG2 3.44Å; H63-V126 WeakPolarHBondContact CD2-CG2 3.47Å
64H95.9Very high94.9Very high12 Ų1242.4 Ų42.46%0.05622%0.22CC..  trans-78.1139.9173.1-75.4-76000111.2V68 S82 D84 H90H64-V68 HydrophobicContact CB-CG2 3.85Å; H64-S82 WeakPolarHBondContact NE2-CB 3.39Å; H64-S82 PolarHBondContact NE2-OG 3.39Å; H64-D84 IonicContact CE1-OD2 2.84Å; H64-D84 IonicContact CG-OD2 3.25Å; H64-D84 WeakPolarHBondContact ND1-CB 3.28Å; H64-D84 IonicContact ND1-OD2 3.86Å; H64-D84 PolarHBondContact ND1-OD2 2.91Å; H64-H90 AromaticContact CD2-CD2 3.86Å; H64-H90 AromaticContact CE1-CD2 3.41Å; H64-H90 PolarHBondContact CE1-CD2 3.13Å; H64-H90 VanDerWaalsContact CE1-CD2 3.41Å; H64-H90 AromaticContact CG-CD2 3.93Å; H64-H90 AromaticContact ND1-CD2 3.65Å; H64-H90 AromaticContact NE2-CD2 3.52Å
65D94.6Very high95.2Very high148 Ų14844.5 Ų44.579%0.79122%0.224SC*.SBendtrans-100.37.3175.2-62.6-46.5000112.1
66S96.9Very high95.3Very high22 Ų2245.2 Ų45.215%0.15423%0.23CC..SBendtrans-152.7177.2-179.4-1600000111.6F37 V68F37-S66 WeakPolarHBondContact CA-O 3.41Å; F37-S66 VanDerWaalsContact CB-O 3.24Å; F37-S66 WeakPolarHBondContact CB-O 3.23Å; F37-S66 VanDerWaalsContact CD1-CA 3.42Å; F37-S66 WeakPolarHBondContact CD1-O 3.3Å; F37-S66 VanDerWaalsContact CG-C 3.5Å; F37-S66 WeakPolarHBondContact CG-O 3.48Å; S66-V68 PolarHBondContact O-N 3.01Å
67S96.8Very high95.4Very high10 Ų1039.8 Ų39.87%0.0721%0.206CC..  trans-56.5129-174.9172.50000111.6L17 I35 N69 D84 S85L17-S67 WeakPolarHBondContact CD1-OG 3.35Å; I35-S67 WeakPolarHBondContact CA-OG 3.34Å; S67-N69 PolarHBondContact O-N 2.92Å; S67-N69 PolarHBondContact O-OD1 2.83Å; S67-N69 PolarHBondContact OG-OD1 2.92Å; S67-D84 CarbonylContact O-C 3.53Å; S67-D84 WeakPolarHBondContact O-CA 3.23Å; S67-D84 WeakPolarHBondContact O-CB 3.26Å; S67-S85 PolarHBondContact O-N 2.96Å; S67-S85 VanDerWaalsContact O-N 3.1Å
68V98Very high95.5Very high0 Ų041.9 Ų41.90%021%0.214CC..EExtended strand (participates in β ladder)trans-89.195.9-179.9-175.10000109G33 A34 F37 H64 S66 V71G33-V68 CarbonylContact C-O 3.51Å; A34-V68 PolarHBondContact O-N 2.99Å; A34-V68 VanDerWaalsContact O-N 3.09Å; F37-V68 WeakPolarHBondContact O-CG2 3.41Å; H64-V68 HydrophobicContact CB-CG2 3.85Å; S66-V68 PolarHBondContact O-N 3.01Å; V68-V71 HydrophobicContact CG1-CG1 3.76Å
69N97.4Very high95.7Very high16 Ų1640.6 Ų40.69%0.08620%0.202CC..EExtended strand (participates in β ladder)trans-84.3-20.3-170.1-54.8-30.7000113.2L17 S67 G83 S85 E143L17-N69 WeakPolarHBondContact CD1-OD1 3.47Å; S67-N69 PolarHBondContact O-N 2.92Å; S67-N69 PolarHBondContact O-OD1 2.83Å; S67-N69 PolarHBondContact OG-OD1 2.92Å; N69-G83 PolarHBondContact N-O 3.09Å; N69-S85 WeakPolarHBondContact ND2-CA 3.41Å; N69-S85 PolarHBondContact ND2-N 3.28Å; N69-S85 VanDerWaalsContact ND2-N 3.17Å; N69-S85 PolarHBondContact ND2-OG 3.04Å; N69-S85 PolarHBondContact OD1-OG 2.95Å; N69-E143 VanDerWaalsContact ND2-CG 3.32Å; N69-E143 WeakPolarHBondContact ND2-CG 3.39Å; N69-E143 PolarHBondContact ND2-OE1 2.87Å; N69-E143 VanDerWaalsContact ND2-OE1 3.12Å
70I97.9Very high96Very high0 Ų039.2 Ų39.20%019%0.193CC..EExtended strand (participates in β ladder)trans-149.1139-175.9-172.468.5000111.4A18 R72 S82 G83 V144 D146 L147 K248A18-I70 HydrophobicContact CB-CD1 4.47Å; I70-R72 HydrophobicContact CD1-CG 4.43Å; I70-R72 VanDerWaalsContact CD1-CZ 3.44Å; I70-R72 HydrophobicContact CG1-CG 4.31Å; I70-S82 CarbonylContact O-C 3.57Å; I70-S82 VanDerWaalsContact O-CA 3.24Å; I70-S82 WeakPolarHBondContact O-CA 3.34Å; I70-G83 PolarHBondContact N-O 3.43Å; I70-G83 PolarHBondContact O-N 2.95Å; I70-V144 HydrophobicContact CG2-CB 4.41Å; I70-V144 HydrophobicContact CG2-CG1 3.86Å; I70-D146 WeakPolarHBondContact CD1-OD1 3.43Å; I70-L147 HydrophobicContact CB-CD1 4.2Å; I70-L147 HydrophobicContact CB-CG 4.42Å; I70-L147 HydrophobicContact CG1-CB 4.02Å; I70-L147 HydrophobicContact CG1-CD1 3.89Å; I70-L147 HydrophobicContact CG1-CG 3.93Å; I70-L147 HydrophobicContact CG2-CD1 3.45Å; I70-L147 VanDerWaalsContact CG2-CD1 3.45Å; I70-L147 HydrophobicContact CG2-CG 3.65Å; I70-K248 VanDerWaalsContact CD1-NZ 3.26Å
71V98.3Very high96.3Very high0 Ų036.6 Ų36.60%018%0.179CC..EExtended strand (participates in β ladder)trans-138.1133.3174.9-55.70000109.3A18 D20 A31 L39 V68 L80 A81A18-V71 HydrophobicContact CB-CB 4.42Å; A18-V71 HydrophobicContact CB-CG1 4.38Å; A18-V71 HydrophobicContact CB-CG2 3.83Å; D20-V71 HydrophobicContact CB-CG2 4.4Å; A31-V71 HydrophobicContact CB-CB 4.48Å; A31-V71 HydrophobicContact CB-CG2 4.18Å; L39-V71 HydrophobicContact CD1-CB 4.31Å; L39-V71 HydrophobicContact CD1-CG1 3.43Å; L39-V71 VanDerWaalsContact CD1-CG1 3.43Å; V68-V71 HydrophobicContact CG1-CG1 3.76Å; V71-L80 HydrophobicContact CB-CD1 4.42Å; V71-A81 CarbonylContact C-O 3.53Å; V71-A81 VanDerWaalsContact CA-O 3.31Å; V71-A81 WeakPolarHBondContact CA-O 3.41Å
72R98.2Very high96.4Very high5 Ų536.2 Ų36.22%0.01918%0.177CC..EExtended strand (participates in β ladder)trans-143.9122.6179.7-65.1-65.5174.2-11817.3111.3V19 D20 I70 A81 L147 W149 D361V19-R72 PolarHBondContact O-NH1 2.88Å; D20-R72 WeakPolarHBondContact OD2-CA 3.37Å; I70-R72 HydrophobicContact CD1-CG 4.43Å; I70-R72 VanDerWaalsContact CD1-CZ 3.44Å; I70-R72 HydrophobicContact CG1-CG 4.31Å; R72-A81 PolarHBondContact N-O 2.92Å; R72-A81 PolarHBondContact O-N 3.17Å; R72-L147 HydrophobicContact CB-CB 4.47Å; R72-L147 HydrophobicContact CG-CB 3.95Å; R72-W149 PolarHBondContact O-NE1 3.38Å; R72-D361 IonicContact CZ-OD1 3.37Å; R72-D361 IonicContact CZ-OD2 3.52Å; R72-D361 VanDerWaalsContact CZ-OD2 3.31Å; R72-D361 IonicContact NH1-OD1 3.4Å; R72-D361 IonicContact NH1-OD2 3.16Å; R72-D361 PolarHBondContact NH1-OD2 3.42Å; R72-D361 IonicContact NH2-OD1 3.32Å; R72-D361 PolarHBondContact NH2-OD1 2.93Å; R72-D361 IonicContact NH2-OD2 2.76Å; R72-D361 PolarHBondContact NH2-OD2 2.68Å
73F98.2Very high96.8Very high8 Ų828.9 Ų28.94%0.03515%0.145CC..EExtended strand (participates in β ladder)trans-73.7147167.3-76.9-77.3000110.1D20 F21 R22 A31 I41 F79 L80 W124D20-F73 HydrophobicContact CB-CD2 4.23Å; D20-F73 PolarHBondContact OD2-N 3.33Å; F21-F73 VanDerWaalsContact C-CD2 3.45Å; F21-F73 WeakPolarHBondContact O-CD2 3.34Å; R22-F73 VanDerWaalsContact CA-CD2 3.49Å; R22-F73 HydrophobicContact CB-CD1 4.23Å; R22-F73 HydrophobicContact CB-CD2 4.06Å; R22-F73 HydrophobicContact CB-CE1 4.04Å; R22-F73 HydrophobicContact CB-CE2 3.81Å; R22-F73 HydrophobicContact CB-CG 4.24Å; R22-F73 HydrophobicContact CB-CZ 3.81Å; R22-F73 HydrophobicContact CG-CD1 3.99Å; R22-F73 HydrophobicContact CG-CE1 3.88Å; R22-F73 HydrophobicContact CG-CG 4.39Å; R22-F73 HydrophobicContact CG-CZ 4.15Å; A31-F73 HydrophobicContact CB-CD2 4.25Å; A31-F73 HydrophobicContact CB-CE2 3.38Å; A31-F73 HydrophobicContact CB-CZ 3.75Å; I41-F73 HydrophobicContact CD1-CZ 3.99Å; F73-F79 WeakPolarHBondContact CA-O 3.21Å; F73-L80 HydrophobicContact CD1-CB 3.93Å; F73-L80 HydrophobicContact CD1-CD1 4Å; F73-L80 HydrophobicContact CD2-CD1 4.13Å; F73-L80 HydrophobicContact CE1-CB 3.89Å; F73-L80 HydrophobicContact CE1-CD1 4.02Å; F73-L80 HydrophobicContact CE1-CD2 4.3Å; F73-L80 HydrophobicContact CE1-CG 4.31Å; F73-L80 HydrophobicContact CE2-CD1 4.19Å; F73-L80 HydrophobicContact CG-CD1 4.06Å; F73-L80 HydrophobicContact CZ-CD1 4.14Å; F73-L80 HydrophobicContact CZ-CD2 4.37Å; F73-W124 HydrophobicContact CD1-CH2 4.32Å; F73-W124 AromaticContact CE1-CH2 3.79Å; F73-W124 HydrophobicContact CE1-CH2 3.79Å; F73-W124 AromaticContact CE1-CZ2 3.72Å; F73-W124 HydrophobicContact CE1-CZ2 3.72Å
74S97.3Very high97Very high0 Ų024.7 Ų24.70%013%0.126CC..  trans-70.6161.1169.284.80000110.4R23 S76 G77 F79 D153R23-S74 WeakPolarHBondContact CG-O 3.4Å; S74-S76 VanDerWaalsContact C-N 3.28Å; S74-S76 PolarHBondContact O-N 3.14Å; S74-S76 PolarHBondContact OG-OG 3.42Å; S74-G77 WeakPolarHBondContact O-CA 3.28Å; S74-G77 PolarHBondContact O-N 3.2Å; S74-F79 PolarHBondContact N-O 2.64Å; S74-F79 PolarHBondContact OG-N 2.85Å; S74-D153 WeakPolarHBondContact CB-OD1 3.29Å; S74-D153 VanDerWaalsContact CB-OD2 3.26Å; S74-D153 WeakPolarHBondContact CB-OD2 3.39Å; S74-D153 PolarHBondContact OG-OD2 2.61Å
75H95.2Very high97Very high97 Ų9725.7 Ų25.745%0.44913%0.134SC..THydrogen-bonded Turntrans-63.9-33.6-175.9-61.696.9000112.1R23 N24 G77 S150 D153R23-H75 WeakPolarHBondContact CB-O 3.47Å; N24-H75 PolarHBondContact ND2-O 3.4Å; H75-G77 VanDerWaalsContact C-N 3.25Å; H75-G77 PolarHBondContact O-N 2.98Å; H75-S150 PolarHBondContact CE1-O 2.69Å; H75-S150 PolarHBondContact ND1-O 2.87Å; H75-D153 WeakPolarHBondContact CB-OD1 3.23Å; H75-D153 IonicContact CG-OD1 3.96Å; H75-D153 PolarHBondContact N-OD1 2.79Å; H75-D153 PolarHBondContact N-OD2 3.03Å; H75-D153 IonicContact ND1-OD1 2.71Å; H75-D153 PolarHBondContact ND1-OD1 3.29Å
76S94.2Very high97Very high37 Ų3722.4 Ų22.426%0.25912%0.119SC..THydrogen-bonded Turntrans-74.9-10.5172.568.70000114.2S74 K78 D153S74-S76 VanDerWaalsContact C-N 3.28Å; S74-S76 PolarHBondContact O-N 3.14Å; S74-S76 PolarHBondContact OG-OG 3.42Å; S76-K78 PolarHBondContact O-N 3.46Å; S76-K78 WeakPolarHBondContact OG-CB 3.17Å; S76-K78 WeakPolarHBondContact OG-CG 3.39Å; S76-K78 PolarHBondContact OG-N 3.16Å; S76-D153 WeakPolarHBondContact CA-OD2 3.46Å; S76-D153 WeakPolarHBondContact CB-OD2 3.47Å; S76-D153 PolarHBondContact N-OD2 2.98Å; S76-D153 PolarHBondContact OG-OD2 2.7Å
77G94.9Very high96.9Very high1 Ų121.4 Ų21.41%0.0111%0.112CC..SBendtrans70.26.2-176.400000114.8R22 R23 S74 H75R22-G77 PolarHBondContact NE-O 3.44Å; R23-G77 WeakPolarHBondContact O-CA 3.24Å; S74-G77 WeakPolarHBondContact O-CA 3.28Å; S74-G77 PolarHBondContact O-N 3.2Å; H75-G77 VanDerWaalsContact C-N 3.25Å; H75-G77 PolarHBondContact O-N 2.98Å
78K94.6Very high96.9Very high132 Ų13221.4 Ų21.457%0.57411%0.112SC*.SBendtrans-81.3-25.9-179.9-66.3176.4-176.61710112.8S76S76-K78 PolarHBondContact O-N 3.46Å; S76-K78 WeakPolarHBondContact OG-CB 3.17Å; S76-K78 WeakPolarHBondContact OG-CG 3.39Å; S76-K78 PolarHBondContact OG-N 3.16Å
79F97.3Very high96.9Very high28 Ų2821.4 Ų21.412%0.12311%0.112CC..EExtended strand (participates in β ladder)trans-123.7151.8-178.2-47.2-72000111F73 S74 V91 W92 W149 D153 R170F73-F79 WeakPolarHBondContact CA-O 3.21Å; S74-F79 PolarHBondContact N-O 2.64Å; S74-F79 PolarHBondContact OG-N 2.85Å; F79-V91 HydrophobicContact CB-CG1 4.41Å; F79-W92 VanDerWaalsContact CA-O 3.3Å; F79-W92 WeakPolarHBondContact CA-O 3.32Å; F79-W149 HydrophobicContact CB-CH2 3.8Å; F79-W149 HydrophobicContact CB-CZ2 3.92Å; F79-W149 HydrophobicContact CG-CH2 4.48Å; F79-D153 HydrophobicContact CD2-CB 4.36Å; F79-R170 VanDerWaalsContact CD2-CD 3.42Å; F79-R170 VanDerWaalsContact CZ-NH1 3.31Å
80L98.2Very high97Very high0 Ų020.9 Ų20.90%011%0.109CC..EExtended strand (participates in β ladder)trans-125.3135.3169.5171.266.1000106.8A31 L39 I41 L61 V71 F73 V91 W92 W124A31-L80 HydrophobicContact CB-CD1 3.91Å; A31-L80 HydrophobicContact CB-CD2 4.15Å; L39-L80 HydrophobicContact CD1-CD2 4.49Å; L39-L80 HydrophobicContact CD2-CD2 4.11Å; I41-L80 HydrophobicContact CD1-CD2 3.95Å; L61-L80 HydrophobicContact CD1-CD2 3.84Å; V71-L80 HydrophobicContact CB-CD1 4.42Å; F73-L80 HydrophobicContact CD1-CB 3.93Å; F73-L80 HydrophobicContact CD1-CD1 4Å; F73-L80 HydrophobicContact CD2-CD1 4.13Å; F73-L80 HydrophobicContact CE1-CB 3.89Å; F73-L80 HydrophobicContact CE1-CD1 4.02Å; F73-L80 HydrophobicContact CE1-CD2 4.3Å; F73-L80 HydrophobicContact CE1-CG 4.31Å; F73-L80 HydrophobicContact CE2-CD1 4.19Å; F73-L80 HydrophobicContact CG-CD1 4.06Å; F73-L80 HydrophobicContact CZ-CD1 4.14Å; F73-L80 HydrophobicContact CZ-CD2 4.37Å; L80-V91 CarbonylContact O-C 3.54Å; L80-V91 WeakPolarHBondContact O-CA 3.19Å; L80-W92 HydrophobicContact CB-CB 4.18Å; L80-W92 PolarHBondContact N-O 2.88Å; L80-W92 VanDerWaalsContact O-CD1 3.28Å; L80-W92 PolarHBondContact O-N 3.02Å; L80-W124 HydrophobicContact CB-CE3 4.49Å; L80-W124 HydrophobicContact CB-CH2 4.08Å; L80-W124 HydrophobicContact CB-CZ3 3.89Å
81A98.6Very high97Very high0 Ų021 Ų210%011%0.11CC..EExtended strand (participates in β ladder)trans-109.5138.3168.500000108.9V71 R72 H90 L147 W149 L156V71-A81 CarbonylContact C-O 3.53Å; V71-A81 VanDerWaalsContact CA-O 3.31Å; V71-A81 WeakPolarHBondContact CA-O 3.41Å; R72-A81 PolarHBondContact N-O 2.92Å; R72-A81 PolarHBondContact O-N 3.17Å; A81-H90 CarbonylContact C-O 3.58Å; A81-H90 WeakPolarHBondContact CA-O 3.23Å; A81-L147 HydrophobicContact CB-CD1 4.04Å; A81-W149 HydrophobicContact CB-CZ2 3.59Å; A81-L156 HydrophobicContact CB-CD1 4.09Å; A81-L156 HydrophobicContact CB-CD2 3.85Å
82S98.6Very high97Very high0 Ų021.4 Ų21.40%011%0.112CC..EExtended strand (participates in β ladder)trans-134.1139.7172.458.50000110.4H64 I70 V89 H90 W92H64-S82 WeakPolarHBondContact NE2-CB 3.39Å; H64-S82 PolarHBondContact NE2-OG 3.39Å; I70-S82 CarbonylContact O-C 3.57Å; I70-S82 VanDerWaalsContact O-CA 3.24Å; I70-S82 WeakPolarHBondContact O-CA 3.34Å; S82-V89 CarbonylContact O-C 3.47Å; S82-V89 WeakPolarHBondContact O-CA 3.42Å; S82-H90 PolarHBondContact N-O 3.45Å; S82-H90 PolarHBondContact O-N 2.78Å; S82-W92 PolarHBondContact OG-NE1 2.92Å
83G98.1Very high96.8Very high0 Ų022.7 Ų22.70%012%0.12CC..EExtended strand (participates in β ladder)trans-127.6147.1-178.200000112N69 I70 C88N69-G83 PolarHBondContact N-O 3.09Å; I70-G83 PolarHBondContact N-O 3.43Å; I70-G83 PolarHBondContact O-N 2.95Å; G83-C88 WeakPolarHBondContact CA-O 3.26Å
84D97.4Very high96.5Very high3 Ų323.9 Ų23.92%0.01612%0.124CC..EExtended strand (participates in β ladder)trans-122.7177.5-175.36825.2000116H64 S67 V86 G87 C88 V144H64-D84 IonicContact CE1-OD2 2.84Å; H64-D84 IonicContact CG-OD2 3.25Å; H64-D84 WeakPolarHBondContact ND1-CB 3.28Å; H64-D84 IonicContact ND1-OD2 3.86Å; H64-D84 PolarHBondContact ND1-OD2 2.91Å; S67-D84 CarbonylContact O-C 3.53Å; S67-D84 WeakPolarHBondContact O-CA 3.23Å; S67-D84 WeakPolarHBondContact O-CB 3.26Å; D84-V86 PolarHBondContact O-N 3.11Å; D84-V86 WeakPolarHBondContact OD1-CG2 3.32Å; D84-V86 PolarHBondContact OD1-N 3.3Å; D84-G87 PolarHBondContact O-N 3.27Å; D84-G87 PolarHBondContact OD1-N 3.45Å; D84-C88 PolarHBondContact N-O 3.28Å; D84-C88 WeakPolarHBondContact OD1-CB 3.43Å; D84-C88 PolarHBondContact OD1-N 2.75Å; D84-C88 VanDerWaalsContact OD2-CB 3.32Å; D84-C88 WeakPolarHBondContact OD2-CB 3.24Å; D84-V144 WeakPolarHBondContact O-CG2 3.37Å; D84-V144 PolarHBondContact O-N 2.99Å
85S95.8Very high96.1Very high33 Ų3325.5 Ų25.523%0.23114%0.138CC..THydrogen-bonded Turntrans-67.9-10.8-179.4-670000115.1S67 N69 E143S67-S85 PolarHBondContact O-N 2.96Å; S67-S85 VanDerWaalsContact O-N 3.1Å; N69-S85 WeakPolarHBondContact ND2-CA 3.41Å; N69-S85 PolarHBondContact ND2-N 3.28Å; N69-S85 VanDerWaalsContact ND2-N 3.17Å; N69-S85 PolarHBondContact ND2-OG 3.04Å; N69-S85 PolarHBondContact OD1-OG 2.95Å; S85-E143 WeakPolarHBondContact O-CA 3.38Å; S85-E143 PolarHBondContact O-N 2.83Å
86V95.2Very high95.3Very high78 Ų7830.4 Ų30.447%0.47316%0.158SC..THydrogen-bonded Turntrans-1078.6-179.8-62.20000113D84 C88D84-V86 PolarHBondContact O-N 3.11Å; D84-V86 WeakPolarHBondContact OD1-CG2 3.32Å; D84-V86 PolarHBondContact OD1-N 3.3Å; V86-C88 HydrophobicContact CG2-CB 4.42Å
87G95Very high94.1Very high1 Ų134.3 Ų34.31%0.0117%0.167CC..SBendtrans86.110176.500000113.8D84 F131 C132 K142D84-G87 PolarHBondContact O-N 3.27Å; D84-G87 PolarHBondContact OD1-N 3.45Å; G87-F131 CarbonylContact O-C 3.57Å; G87-F131 WeakPolarHBondContact O-CA 3.28Å; G87-C132 PolarHBondContact O-N 2.92Å; G87-K142 WeakPolarHBondContact CA-O 3.16Å; G87-K142 PolarHBondContact N-O 3.4Å
88C96.8Very high92.7Very high11 Ų1142 Ų427%0.07420%0.2CC..EExtended strand (participates in β ladder)trans-87134.3177.3-174.70000110.1G83 D84 V86 T129 L130 F131G83-C88 WeakPolarHBondContact CA-O 3.26Å; D84-C88 PolarHBondContact N-O 3.28Å; D84-C88 WeakPolarHBondContact OD1-CB 3.43Å; D84-C88 PolarHBondContact OD1-N 2.75Å; D84-C88 VanDerWaalsContact OD2-CB 3.32Å; D84-C88 WeakPolarHBondContact OD2-CB 3.24Å; V86-C88 HydrophobicContact CG2-CB 4.42Å; C88-T129 VanDerWaalsContact SG-CG2 3.58Å; C88-L130 WeakPolarHBondContact CA-O 3.37Å; C88-F131 HydrophobicContact CB-CD1 4.33Å; C88-F131 HydrophobicContact CB-CE1 4.15Å
89V98.3Very high90.9Very high0 Ų040.3 Ų40.30%021%0.205CC..EExtended strand (participates in β ladder)trans-121.5121.6172.9176.50000109.4S82 T129 L130 C132 V144 L147 L156 T158S82-V89 CarbonylContact O-C 3.47Å; S82-V89 WeakPolarHBondContact O-CA 3.42Å; V89-T129 CarbonylContact O-C 3.58Å; V89-T129 WeakPolarHBondContact O-CA 3.45Å; V89-L130 HydrophobicContact CB-CB 4.21Å; V89-L130 HydrophobicContact CG1-CD1 4.36Å; V89-L130 PolarHBondContact N-O 3.02Å; V89-L130 PolarHBondContact O-N 3.47Å; V89-C132 WeakPolarHBondContact CG2-SG 3.26Å; V89-V144 HydrophobicContact CG2-CG1 4.03Å; V89-V144 HydrophobicContact CG2-CG2 3.76Å; V89-L147 HydrophobicContact CG1-CD2 4.17Å; V89-L147 HydrophobicContact CG2-CD2 4.15Å; V89-L156 HydrophobicContact CG1-CD2 4.05Å; V89-T158 HydrophobicContact CG2-CG2 4.26Å
90H98.4Very high88.7Confident5 Ų544.5 Ų44.52%0.02323%0.228CC..EExtended strand (participates in β ladder)trans-98.3131171.6-68.5-53.7000110.4H63 H64 A81 S82 W92 V126 K128 T129H63-H90 AromaticContact CE1-CE1 3.63Å; H63-H90 AromaticContact CE1-NE2 3.97Å; H63-H90 AromaticContact CG-NE2 3.83Å; H63-H90 AromaticContact ND1-CE1 3.24Å; H63-H90 PolarHBondContact ND1-CE1 2.86Å; H63-H90 AromaticContact ND1-NE2 3.14Å; H63-H90 PolarHBondContact ND1-NE2 3.07Å; H63-H90 VanDerWaalsContact ND1-NE2 3.14Å; H63-H90 PolarHBondContact O-NE2 2.91Å; H64-H90 AromaticContact CD2-CD2 3.86Å; H64-H90 AromaticContact CE1-CD2 3.41Å; H64-H90 PolarHBondContact CE1-CD2 3.13Å; H64-H90 VanDerWaalsContact CE1-CD2 3.41Å; H64-H90 AromaticContact CG-CD2 3.93Å; H64-H90 AromaticContact ND1-CD2 3.65Å; H64-H90 AromaticContact NE2-CD2 3.52Å; A81-H90 CarbonylContact C-O 3.58Å; A81-H90 WeakPolarHBondContact CA-O 3.23Å; S82-H90 PolarHBondContact N-O 3.45Å; S82-H90 PolarHBondContact O-N 2.78Å; H90-W92 HydrophobicContact CB-CZ2 3.88Å; H90-W92 PolarHBondContact O-NE1 3.06Å; H90-V126 HydrophobicContact CB-CG1 4.37Å; H90-V126 HydrophobicContact CB-CG2 4.46Å; H90-K128 WeakPolarHBondContact CA-O 3.32Å; H90-T129 VanDerWaalsContact CE1-CG2 3.45Å; H90-T129 WeakPolarHBondContact CE1-CG2 3.37Å; H90-T129 PolarHBondContact CE1-OG1 3.14Å; H90-T129 VanDerWaalsContact CE1-OG1 3.27Å; H90-T129 PolarHBondContact ND1-OG1 2.79Å
91V98.4Very high86.5Confident2 Ų248.7 Ų48.71%0.01225%0.251CS..EExtended strand (participates in β ladder)trans-102.8119.1167.2-178.60000108.1F79 L80 S127 K128 L130 W149 L156 R170F79-V91 HydrophobicContact CB-CG1 4.41Å; L80-V91 CarbonylContact O-C 3.54Å; L80-V91 WeakPolarHBondContact O-CA 3.19Å; V91-S127 WeakPolarHBondContact O-CA 3.31Å; V91-S127 WeakPolarHBondContact O-CB 3.15Å; V91-S127 PolarHBondContact O-N 2.91Å; V91-K128 HydrophobicContact CB-CB 4.14Å; V91-K128 HydrophobicContact CG2-CB 4.43Å; V91-K128 PolarHBondContact N-O 2.91Å; V91-K128 PolarHBondContact O-N 3.08Å; V91-K128 VanDerWaalsContact O-N 3.17Å; V91-L130 HydrophobicContact CG2-CD1 4.14Å; V91-W149 HydrophobicContact CG1-CH2 3.87Å; V91-W149 HydrophobicContact CG1-CZ2 4.41Å; V91-L156 HydrophobicContact CG2-CD2 4.09Å; V91-R170 HydrophobicContact CG1-CG 4.17Å
92W97.9Very high84.1Confident9 Ų951.8 Ų51.83%0.03427%0.272CS..EExtended strand (participates in β ladder)trans-102.2149.2-176.9-46.677.9000110.8L39 L61 H63 F79 L80 S82 H90 W124 I125 V126L39-W92 HydrophobicContact CD2-CD2 4.47Å; L39-W92 HydrophobicContact CD2-CZ2 3.73Å; L61-W92 HydrophobicContact CB-CE3 4.3Å; L61-W92 HydrophobicContact CB-CH2 3.73Å; L61-W92 HydrophobicContact CB-CZ2 4.22Å; L61-W92 HydrophobicContact CB-CZ3 3.8Å; L61-W92 HydrophobicContact CD1-CD2 4.36Å; L61-W92 HydrophobicContact CD1-CE3 4.36Å; L61-W92 HydrophobicContact CD2-CE3 4.37Å; L61-W92 HydrophobicContact CD2-CZ3 4.33Å; L61-W92 HydrophobicContact CG-CZ3 4.49Å; H63-W92 HydrophobicContact CB-CH2 3.43Å; H63-W92 VanDerWaalsContact CB-CH2 3.43Å; H63-W92 HydrophobicContact CB-CZ2 4.08Å; H63-W92 HydrophobicContact CB-CZ3 4.26Å; F79-W92 VanDerWaalsContact CA-O 3.3Å; F79-W92 WeakPolarHBondContact CA-O 3.32Å; L80-W92 HydrophobicContact CB-CB 4.18Å; L80-W92 PolarHBondContact N-O 2.88Å; L80-W92 VanDerWaalsContact O-CD1 3.28Å; L80-W92 PolarHBondContact O-N 3.02Å; S82-W92 PolarHBondContact OG-NE1 2.92Å; H90-W92 HydrophobicContact CB-CZ2 3.88Å; H90-W92 PolarHBondContact O-NE1 3.06Å; W92-W124 HydrophobicContact CB-CE3 3.59Å; W92-W124 HydrophobicContact CB-CZ3 4.07Å; W92-I125 CarbonylContact C-O 3.58Å; W92-I125 VanDerWaalsContact CA-O 3.27Å; W92-I125 WeakPolarHBondContact CA-O 3.42Å; W92-V126 HydrophobicContact CD2-CG2 4.02Å; W92-V126 HydrophobicContact CE3-CG2 3.56Å; W92-V126 HydrophobicContact CH2-CG2 3.69Å; W92-V126 HydrophobicContact CZ2-CG2 4.1Å; W92-V126 HydrophobicContact CZ3-CG2 3.39Å
93T95.5Very high81.3Confident31 Ų3159.1 Ų59.119%0.1931%0.306CS..EExtended strand (participates in β ladder)trans-145.1161.7172.8-174.10000108.8I125T93-I125 HydrophobicContact CG2-CD1 4.41Å; T93-I125 HydrophobicContact CG2-CG1 3.99Å; T93-I125 PolarHBondContact N-O 2.82Å; T93-I125 WeakPolarHBondContact O-CG1 3.24Å; T93-I125 PolarHBondContact O-N 3.14Å
94Y91.7Very high78.6Confident33 Ų3366.2 Ų66.213%0.12934%0.337CS..EExtended strand (participates in β ladder)trans-66.1140.1167-69.1-70.5000111.7R22 K96 L122 W124R22-Y94 PolarHBondContact NH1-OH 3.49Å; R22-Y94 PolarHBondContact NH2-OH 2.63Å; Y94-K96 PolarHBondContact O-N 3.01Å; Y94-L122 HydrophobicContact CD1-CB 3.3Å; Y94-L122 HydrophobicContact CD1-CD1 4.49Å; Y94-L122 VanDerWaalsContact CD1-O 3.22Å; Y94-L122 WeakPolarHBondContact CD1-O 3.36Å; Y94-L122 HydrophobicContact CE1-CB 3.92Å; Y94-L122 VanDerWaalsContact CE1-O 3.23Å; Y94-L122 WeakPolarHBondContact CE1-O 3.26Å; Y94-L122 HydrophobicContact CG-CB 3.9Å; Y94-L122 HydrophobicContact CG-CD1 4.34Å; Y94-W124 HydrophobicContact CD1-CD2 4.38Å; Y94-W124 HydrophobicContact CD1-CG 4.48Å; Y94-W124 HydrophobicContact CD2-CH2 4.34Å; Y94-W124 HydrophobicContact CD2-CZ2 4.36Å; Y94-W124 AromaticContact CE1-CD1 3.85Å; Y94-W124 HydrophobicContact CE1-CD2 4.1Å; Y94-W124 AromaticContact CE1-CE2 3.64Å; Y94-W124 HydrophobicContact CE1-CG 4.23Å; Y94-W124 HydrophobicContact CE1-CZ2 4.08Å; Y94-W124 AromaticContact CE1-NE1 3.48Å; Y94-W124 AromaticContact CE2-CE2 3.9Å; Y94-W124 AromaticContact CE2-CH2 3.76Å; Y94-W124 HydrophobicContact CE2-CH2 3.76Å; Y94-W124 AromaticContact CE2-CZ2 3.47Å; Y94-W124 HydrophobicContact CE2-CZ2 3.47Å; Y94-W124 VanDerWaalsContact CE2-CZ2 3.47Å; Y94-W124 HydrophobicContact CE2-CZ3 4.4Å; Y94-W124 AromaticContact CZ-CE2 3.39Å; Y94-W124 AromaticContact CZ-CZ2 3.34Å; Y94-W124 AromaticContact CZ-NE1 3.52Å; Y94-W124 VanDerWaalsContact OH-CZ2 3.26Å; Y94-W124 WeakPolarHBondContact OH-CZ2 3.35Å; Y94-W124 PolarHBondContact OH-NE1 2.92Å
95A87.7Confident76Confident34 Ų3468.9 Ų68.928%0.28136%0.36SS..PPolyproline II helixtrans-59.1128.4170.500000109.9R97 K123 I125A95-R97 PolarHBondContact O-N 2.91Å; A95-K123 PolarHBondContact N-O 2.99Å; A95-I125 HydrophobicContact CB-CD1 4.17Å; A95-I125 HydrophobicContact CB-CG1 4.36Å; A95-I125 HydrophobicContact CB-CG2 4.04Å
96K79.1Confident73.4Confident200 Ų20072.7 Ų72.787%0.8738%0.381SS*.PPolyproline II helixtrans-66.3127.7172.2-66.4-176177.7-176.20108.4Y94 K98Y94-K96 PolarHBondContact O-N 3.01Å; K96-K98 PolarHBondContact O-N 2.76Å
97R68.6Low70.7Confident119 Ų11973.1 Ų73.145%0.44939%0.393SS..PPolyproline II helixtrans-60130.4166.9-72.1-177.4174.9141.12.2108.2A95 A118 L122A95-R97 PolarHBondContact O-N 2.91Å; R97-A118 PolarHBondContact NH2-O 3.49Å; R97-L122 HydrophobicContact CG-CD2 4.1Å
98K66Low68.1Low163 Ų16380.3 Ų80.371%0.70943%0.43SS*.PPolyproline II helixtrans-67.6139.7169-70.3-179179.1177.40107.2K96 N100 D101K96-K98 PolarHBondContact O-N 2.76Å; K98-N100 PolarHBondContact O-N 2.86Å; K98-D101 PolarHBondContact O-N 2.86Å
99S56.1Low65.2Low96 Ų9684.6 Ų84.667%0.67146%0.459SS*.Hα-helixtrans-50-30.5178.350.20000113.2D101 C102S99-D101 VanDerWaalsContact C-N 3.32Å; S99-D101 PolarHBondContact O-N 3.07Å; S99-C102 PolarHBondContact O-N 3.28Å
100N51.9Low62.1Low116 Ų11687.2 Ų87.262%0.6249%0.486SS*.Hα-helixtrans-74.3-14.3-178.6-65.519000114.5K98K98-N100 PolarHBondContact O-N 2.86Å
101D51.7Low59.6Low88 Ų8893.2 Ų93.247%0.47153%0.528SS..Hα-helixtrans-84.4-22175.1-70.2-35.3000112K98 S99 E103 K104 A105K98-D101 PolarHBondContact O-N 2.86Å; S99-D101 VanDerWaalsContact C-N 3.32Å; S99-D101 PolarHBondContact O-N 3.07Å; D101-E103 VanDerWaalsContact C-N 3.29Å; D101-E103 PolarHBondContact O-N 2.82Å; D101-K104 PolarHBondContact O-N 2.8Å; D101-A105 PolarHBondContact O-N 3.43Å
102C48.2Very low56.6Low65 Ų65101.3 Ų101.344%0.43957%0.566SS.*Hα-helixtrans-64.5-34.1175.8-66.60000111.8S99 K104 A105 V106S99-C102 PolarHBondContact O-N 3.28Å; C102-K104 VanDerWaalsContact C-N 3.34Å; C102-K104 PolarHBondContact O-N 2.96Å; C102-A105 PolarHBondContact O-N 2.8Å; C102-V106 WeakPolarHBondContact O-CB 3.38Å; C102-V106 WeakPolarHBondContact O-CG2 3.4Å; C102-V106 PolarHBondContact O-N 2.89Å
103E40.7Very low53.6Low155 Ų155105 Ų10572%0.72461%0.607SS**Hα-helixtrans-66.3-35.5175.5-71.6-175.8161.600112.2D101 A107D101-E103 VanDerWaalsContact C-N 3.29Å; D101-E103 PolarHBondContact O-N 2.82Å; E103-A107 WeakPolarHBondContact O-CB 3.29Å; E103-A107 PolarHBondContact O-N 2.9Å; E103-A107 VanDerWaalsContact O-N 3.16Å
104K41.4Very low50.7Low148 Ų148110.2 Ų110.264%0.64363%0.632SS**Hα-helixtrans-75.2-36.2176.2-76.5-177.4176.21790113D101 C102 A107 L108D101-K104 PolarHBondContact O-N 2.8Å; C102-K104 VanDerWaalsContact C-N 3.34Å; C102-K104 PolarHBondContact O-N 2.96Å; K104-A107 PolarHBondContact O-N 2.77Å; K104-L108 PolarHBondContact O-N 3.31Å
105A42.3Very low47.8Very low60 Ų60118.2 Ų118.250%0.49667%0.668SS.*Hα-helixtrans-69.2-38.117700000111.9D101 C102 L108 C109D101-A105 PolarHBondContact O-N 3.43Å; C102-A105 PolarHBondContact O-N 2.8Å; A105-L108 PolarHBondContact O-N 2.83Å; A105-C109 PolarHBondContact O-N 2.71Å
106V41.5Very low45.3Very low112 Ų112120.7 Ų120.768%0.67968%0.679SS**Hα-helixtrans-69.8-34.2175.3177.90000111.3C102 L108 C109C102-V106 WeakPolarHBondContact O-CB 3.38Å; C102-V106 WeakPolarHBondContact O-CG2 3.4Å; C102-V106 PolarHBondContact O-N 2.89Å; V106-L108 VanDerWaalsContact C-N 3.31Å; V106-L108 PolarHBondContact O-N 2.8Å; V106-C109 PolarHBondContact O-N 2.82Å
107A36.9Very low43.4Very low87 Ų87115 Ų11572%0.71966%0.662SS**Hα-helixtrans-69.3-23.4177.400000114.5E103 K104E103-A107 WeakPolarHBondContact O-CB 3.29Å; E103-A107 PolarHBondContact O-N 2.9Å; E103-A107 VanDerWaalsContact O-N 3.16Å; K104-A107 PolarHBondContact O-N 2.77Å
108L40.5Very low42.3Very low152 Ų152112 Ų11280%0.79666%0.662SS**Hα-helixtrans-93-8.8178.7-76.1161000113.7K104 A105 V106 G110K104-L108 PolarHBondContact O-N 3.31Å; A105-L108 PolarHBondContact O-N 2.83Å; V106-L108 VanDerWaalsContact C-N 3.31Å; V106-L108 PolarHBondContact O-N 2.8Å; L108-G110 PolarHBondContact O-N 3.36Å
109C36.7Very low41.6Very low101 Ų101106.9 Ų106.968%0.68264%0.643SS**  trans-79.565172.3-76.60000110.9A105 V106 S111A105-C109 PolarHBondContact O-N 2.71Å; V106-C109 PolarHBondContact O-N 2.82Å; C109-S111 PolarHBondContact O-N 2.79Å
110G33Very low41.2Very low55 Ų55107 Ų10757%0.56764%0.635SS**  trans-70.6118.9165.300000110.9L108 E112L108-G110 PolarHBondContact O-N 3.36Å; G110-E112 VanDerWaalsContact C-N 3.27Å; G110-E112 PolarHBondContact O-N 3.49Å
111S45.8Very low41.3Very low131 Ų131108.7 Ų108.792%0.91664%0.64SS**SBendtrans35.50.5156.457.10000124.1C109C109-S111 PolarHBondContact O-N 2.79Å
112E36.4Very low42.2Very low172 Ų172106.6 Ų106.680%0.80463%0.628SS**SBendtrans-130109.3164.7-68.4-150.5166.200110.3G110 I114G110-E112 VanDerWaalsContact C-N 3.27Å; G110-E112 PolarHBondContact O-N 3.49Å; E112-I114 VanDerWaalsContact C-N 3.35Å; E112-I114 PolarHBondContact O-N 2.71Å
113G34.6Very low44.1Very low86 Ų86111.3 Ų111.389%0.88764%0.641SS**  trans-68.582.6-170.700000113.2K115G113-K115 PolarHBondContact O-N 3.34Å
114I34.7Very low46.6Very low142 Ų142104.7 Ų104.773%0.72861%0.61SS**  trans-71.3106.6157.8-60.4175.3000106.3E112 V116E112-I114 VanDerWaalsContact C-N 3.35Å; E112-I114 PolarHBondContact O-N 2.71Å; I114-V116 HydrophobicContact CG2-CG2 4.24Å; I114-V116 PolarHBondContact O-N 2.83Å
115K30.4Very low49.2Very low200 Ų200101.2 Ų101.287%0.8760%0.597SS**  trans-6386.2164.7-79.3-177.8177.11770107.7G113 T117G113-K115 PolarHBondContact O-N 3.34Å; K115-T117 PolarHBondContact O-N 3.32Å
116V35.2Very low51.8Low87 Ų87100.2 Ų100.253%0.52759%0.585SS.*  trans-60.8104.7163.6-179.80000105.5I114 A118I114-V116 HydrophobicContact CG2-CG2 4.24Å; I114-V116 PolarHBondContact O-N 2.83Å; V116-A118 PolarHBondContact O-N 3.43Å
117T39.2Very low54.4Low81 Ų8196.9 Ų96.950%0.49757%0.566SS.*  trans-54.1107.3166.132.10000106.1K115 D119 D120K115-T117 PolarHBondContact O-N 3.32Å; T117-D119 PolarHBondContact O-N 3.03Å; T117-D120 PolarHBondContact O-N 3.49Å; T117-D120 VanDerWaalsContact O-N 3.13Å; T117-D120 PolarHBondContact OG1-OD2 2.92Å
118A45.8Very low57.2Low56 Ų5695.6 Ų95.646%0.46355%0.545SS..THydrogen-bonded Turntrans-56.4-14.6-16700000114.6R97 V116R97-A118 PolarHBondContact NH2-O 3.49Å; V116-A118 PolarHBondContact O-N 3.43Å
119D49.9Very low59.9Low55 Ų5591.1 Ų91.129%0.29452%0.524SS..THydrogen-bonded Turntrans-78.6-23.8-179.1-96.532.3000115R22 T117 E121R22-D119 IonicContact CZ-OD2 3.01Å; R22-D119 IonicContact NH1-OD2 3.23Å; R22-D119 PolarHBondContact NH1-OD2 3Å; R22-D119 IonicContact NH2-OD2 2.73Å; R22-D119 PolarHBondContact NH2-OD2 3.06Å; R22-D119 VanDerWaalsContact NH2-OD2 3.16Å; T117-D119 PolarHBondContact O-N 3.03Å; D119-E121 PolarHBondContact O-N 3.43Å
120D48.7Very low62.7Low97 Ų9786.6 Ų86.652%0.51949%0.493SS..THydrogen-bonded Turntrans-78.2-15.6-166.1-75.2-36.8000115.2K29 T117K29-D120 IonicContact NZ-OD1 3.83Å; K29-D120 PolarHBondContact NZ-OD1 3.24Å; T117-D120 PolarHBondContact O-N 3.49Å; T117-D120 VanDerWaalsContact O-N 3.13Å; T117-D120 PolarHBondContact OG1-OD2 2.92Å
121E53.3Low65.7Low152 Ų15288.9 Ų88.971%0.7149%0.487SS*.THydrogen-bonded Turntrans-104-3.4178.7-68-168.215000114.4D119 K123D119-E121 PolarHBondContact O-N 3.43Å; E121-K123 PolarHBondContact O-N 3.49Å
122L71.6Confident67.9Low45 Ų4582.7 Ų82.724%0.23644%0.444CS..  trans-80.4111-175.2-64.4175.1000110.4Y94 R97Y94-L122 HydrophobicContact CD1-CB 3.3Å; Y94-L122 HydrophobicContact CD1-CD1 4.49Å; Y94-L122 VanDerWaalsContact CD1-O 3.22Å; Y94-L122 WeakPolarHBondContact CD1-O 3.36Å; Y94-L122 HydrophobicContact CE1-CB 3.92Å; Y94-L122 VanDerWaalsContact CE1-O 3.23Å; Y94-L122 WeakPolarHBondContact CE1-O 3.26Å; Y94-L122 HydrophobicContact CG-CB 3.9Å; Y94-L122 HydrophobicContact CG-CD1 4.34Å; R97-L122 HydrophobicContact CG-CD2 4.1Å
123K88Confident70.4Confident164 Ų16475.6 Ų75.671%0.71341%0.412SS*.  trans-73.9130.3173-171176.7179179.40110.2A95 E121A95-K123 PolarHBondContact N-O 2.99Å; E121-K123 PolarHBondContact O-N 3.49Å
124W93.7Very high72.9Confident16 Ų1671.8 Ų71.86%0.06137%0.371CS..EExtended strand (participates in β ladder)trans-66134.3168.2-73.794.8000110.5L61 F73 L80 W92 Y94L61-W124 HydrophobicContact CD1-CB 4.33Å; L61-W124 HydrophobicContact CD1-CG 4.31Å; L61-W124 HydrophobicContact CD2-CB 3.38Å; L61-W124 HydrophobicContact CD2-CG 3.98Å; F73-W124 HydrophobicContact CD1-CH2 4.32Å; F73-W124 AromaticContact CE1-CH2 3.79Å; F73-W124 HydrophobicContact CE1-CH2 3.79Å; F73-W124 AromaticContact CE1-CZ2 3.72Å; F73-W124 HydrophobicContact CE1-CZ2 3.72Å; L80-W124 HydrophobicContact CB-CE3 4.49Å; L80-W124 HydrophobicContact CB-CH2 4.08Å; L80-W124 HydrophobicContact CB-CZ3 3.89Å; W92-W124 HydrophobicContact CB-CE3 3.59Å; W92-W124 HydrophobicContact CB-CZ3 4.07Å; Y94-W124 HydrophobicContact CD1-CD2 4.38Å; Y94-W124 HydrophobicContact CD1-CG 4.48Å; Y94-W124 HydrophobicContact CD2-CH2 4.34Å; Y94-W124 HydrophobicContact CD2-CZ2 4.36Å; Y94-W124 AromaticContact CE1-CD1 3.85Å; Y94-W124 HydrophobicContact CE1-CD2 4.1Å; Y94-W124 AromaticContact CE1-CE2 3.64Å; Y94-W124 HydrophobicContact CE1-CG 4.23Å; Y94-W124 HydrophobicContact CE1-CZ2 4.08Å; Y94-W124 AromaticContact CE1-NE1 3.48Å; Y94-W124 AromaticContact CE2-CE2 3.9Å; Y94-W124 AromaticContact CE2-CH2 3.76Å; Y94-W124 HydrophobicContact CE2-CH2 3.76Å; Y94-W124 AromaticContact CE2-CZ2 3.47Å; Y94-W124 HydrophobicContact CE2-CZ2 3.47Å; Y94-W124 VanDerWaalsContact CE2-CZ2 3.47Å; Y94-W124 HydrophobicContact CE2-CZ3 4.4Å; Y94-W124 AromaticContact CZ-CE2 3.39Å; Y94-W124 AromaticContact CZ-CZ2 3.34Å; Y94-W124 AromaticContact CZ-NE1 3.52Å; Y94-W124 VanDerWaalsContact OH-CZ2 3.26Å; Y94-W124 WeakPolarHBondContact OH-CZ2 3.35Å; Y94-W124 PolarHBondContact OH-NE1 2.92Å
125I94.8Very high75.2Confident75 Ų7567.4 Ų67.439%0.38535%0.351SS..EExtended strand (participates in β ladder)trans-127.2150.9174.960.1166.1000109.7W92 T93 A95 S127W92-I125 CarbonylContact C-O 3.58Å; W92-I125 VanDerWaalsContact CA-O 3.27Å; W92-I125 WeakPolarHBondContact CA-O 3.42Å; T93-I125 HydrophobicContact CG2-CD1 4.41Å; T93-I125 HydrophobicContact CG2-CG1 3.99Å; T93-I125 PolarHBondContact N-O 2.82Å; T93-I125 WeakPolarHBondContact O-CG1 3.24Å; T93-I125 PolarHBondContact O-N 3.14Å; A95-I125 HydrophobicContact CB-CD1 4.17Å; A95-I125 HydrophobicContact CB-CG1 4.36Å; A95-I125 HydrophobicContact CB-CG2 4.04Å; I125-S127 PolarHBondContact O-N 3.39Å
126V96.7Very high77.6Confident39 Ų3961.4 Ų61.424%0.23633%0.333CS..EExtended strand (participates in β ladder)trans-70.7116.6171.3179.60000108.7H63 H90 W92 K128H63-V126 HydrophobicContact CB-CG2 4.13Å; H63-V126 VanDerWaalsContact CD2-CG2 3.44Å; H63-V126 WeakPolarHBondContact CD2-CG2 3.47Å; H90-V126 HydrophobicContact CB-CG1 4.37Å; H90-V126 HydrophobicContact CB-CG2 4.46Å; W92-V126 HydrophobicContact CD2-CG2 4.02Å; W92-V126 HydrophobicContact CE3-CG2 3.56Å; W92-V126 HydrophobicContact CH2-CG2 3.69Å; W92-V126 HydrophobicContact CZ2-CG2 4.1Å; W92-V126 HydrophobicContact CZ3-CG2 3.39Å; V126-K128 VanDerWaalsContact CG1-O 3.26Å; V126-K128 WeakPolarHBondContact CG1-O 3.3Å
127S95.6Very high79.7Confident41 Ų4160.7 Ų60.729%0.28734%0.342SS..EExtended strand (participates in β ladder)trans-83.5-38.4173.3-167.80000111.9V91 I125V91-S127 WeakPolarHBondContact O-CA 3.31Å; V91-S127 WeakPolarHBondContact O-CB 3.15Å; V91-S127 PolarHBondContact O-N 2.91Å; I125-S127 PolarHBondContact O-N 3.39Å
128K96.4Very high81.6Confident60 Ų6061 Ų6126%0.26134%0.338SS..EExtended strand (participates in β ladder)trans-145.7149.6-179.5-61.9-69.3170.7-77.60110.8H90 V91 V126 L130 Q171H90-K128 WeakPolarHBondContact CA-O 3.32Å; V91-K128 HydrophobicContact CB-CB 4.14Å; V91-K128 HydrophobicContact CG2-CB 4.43Å; V91-K128 PolarHBondContact N-O 2.91Å; V91-K128 PolarHBondContact O-N 3.08Å; V91-K128 VanDerWaalsContact O-N 3.17Å; V126-K128 VanDerWaalsContact CG1-O 3.26Å; V126-K128 WeakPolarHBondContact CG1-O 3.3Å; K128-L130 HydrophobicContact CB-CD2 4.13Å; K128-Q171 WeakPolarHBondContact CE-O 3.42Å
129T97.2Very high83.4Confident58 Ų5859.5 Ų59.536%0.35632%0.324SS..EExtended strand (participates in β ladder)trans-123.5123.4168.6-58.60000107.1C88 V89 H90 F131C88-T129 VanDerWaalsContact SG-CG2 3.58Å; V89-T129 CarbonylContact O-C 3.58Å; V89-T129 WeakPolarHBondContact O-CA 3.45Å; H90-T129 VanDerWaalsContact CE1-CG2 3.45Å; H90-T129 WeakPolarHBondContact CE1-CG2 3.37Å; H90-T129 PolarHBondContact CE1-OG1 3.14Å; H90-T129 VanDerWaalsContact CE1-OG1 3.27Å; H90-T129 PolarHBondContact ND1-OG1 2.79Å; T129-F131 HydrophobicContact CG2-CE2 4.02Å; T129-F131 HydrophobicContact CG2-CZ 3.87Å
130L96.6Very high85.2Confident7 Ų765.2 Ų65.24%0.03735%0.354CS..EExtended strand (participates in β ladder)trans-119.7152.8-175.6-42.9173.4000108.7C88 V89 V91 K128 L156 W168 G173C88-L130 WeakPolarHBondContact CA-O 3.37Å; V89-L130 HydrophobicContact CB-CB 4.21Å; V89-L130 HydrophobicContact CG1-CD1 4.36Å; V89-L130 PolarHBondContact N-O 3.02Å; V89-L130 PolarHBondContact O-N 3.47Å; V91-L130 HydrophobicContact CG2-CD1 4.14Å; K128-L130 HydrophobicContact CB-CD2 4.13Å; L130-L156 HydrophobicContact CD1-CD2 4.32Å; L130-W168 HydrophobicContact CB-CD2 4.38Å; L130-W168 HydrophobicContact CB-CE3 4.37Å; L130-W168 HydrophobicContact CB-CH2 4.24Å; L130-W168 HydrophobicContact CB-CZ2 4.21Å; L130-W168 HydrophobicContact CB-CZ3 4.31Å; L130-W168 HydrophobicContact CD1-CB 4.16Å; L130-W168 HydrophobicContact CD1-CD2 3.92Å; L130-W168 HydrophobicContact CD1-CE3 4.32Å; L130-W168 HydrophobicContact CD1-CG 3.85Å; L130-W168 HydrophobicContact CD2-CE3 4.16Å; L130-G173 WeakPolarHBondContact CD2-O 3.43Å
131F95.3Very high87.1Confident102 Ų10263.6 Ų63.645%0.44735%0.347SS..EExtended strand (participates in β ladder)trans-126.5117.4-180-65.6-78.9000110.5G87 C88 T129 D133 W168 A461G87-F131 CarbonylContact O-C 3.57Å; G87-F131 WeakPolarHBondContact O-CA 3.28Å; C88-F131 HydrophobicContact CB-CD1 4.33Å; C88-F131 HydrophobicContact CB-CE1 4.15Å; T129-F131 HydrophobicContact CG2-CE2 4.02Å; T129-F131 HydrophobicContact CG2-CZ 3.87Å; F131-D133 VanDerWaalsContact C-N 3.26Å; F131-D133 PolarHBondContact O-N 2.94Å; F131-W168 VanDerWaalsContact O-CH2 3.31Å; F131-W168 WeakPolarHBondContact O-CH2 3.38Å; F131-A461 HydrophobicContact CD2-CB 4.15Å; F131-A461 HydrophobicContact CE2-CB 4.26Å
132C92.5Very high89Confident1 Ų159.6 Ų59.61%0.00733%0.328CS..  trans-84.661.8-173.6-59.40000112.1G87 V89 V144 S160 N162 I166G87-C132 PolarHBondContact O-N 2.92Å; V89-C132 WeakPolarHBondContact CG2-SG 3.26Å; C132-V144 HydrophobicContact CB-CG2 4.35Å; C132-S160 WeakPolarHBondContact CB-OG 3.36Å; C132-N162 PolarHBondContact O-ND2 3.05Å; C132-I166 HydrophobicContact CB-CD1 4.45Å
133D89.2Confident90.1Very high24 Ų2459.2 Ų59.213%0.12832%0.324CS..  trans-134.695.7178.1-1658.6000109.9F131 P136 K142F131-D133 VanDerWaalsContact C-N 3.26Å; F131-D133 PolarHBondContact O-N 2.94Å; D133-P136 WeakPolarHBondContact OD2-CA 3.47Å; D133-K142 WeakPolarHBondContact OD2-CE 3Å; D133-K142 IonicContact OD2-NZ 2.73Å; D133-K142 PolarHBondContact OD2-NZ 2.86Å
134V85.7Confident90.5Very high5 Ų551.4 Ų51.43%0.0329%0.291CS..SBendtrans-70.5-41.8-179.8179.90000111.1S164 I166 A178 I453 M458V134-S164 WeakPolarHBondContact CG2-OG 3.35Å; V134-S164 PolarHBondContact N-OG 2.94Å; V134-I166 HydrophobicContact CG2-CD1 3.66Å; V134-I166 HydrophobicContact CG2-CG1 3.42Å; V134-I166 VanDerWaalsContact CG2-CG1 3.42Å; V134-A178 HydrophobicContact CG1-CB 4.13Å; V134-A178 HydrophobicContact CG2-CB 4.05Å; V134-I453 HydrophobicContact CG1-CB 3.45Å; V134-I453 VanDerWaalsContact CG1-CB 3.45Å; V134-I453 HydrophobicContact CG1-CG1 3.46Å; V134-I453 VanDerWaalsContact CG1-CG1 3.46Å; V134-I453 HydrophobicContact CG1-CG2 3.54Å; V134-M458 HydrophobicContact CB-CE 4.29Å; V134-M458 HydrophobicContact CG1-CG 4.49Å; V134-M458 HydrophobicContact CG2-CE 3.94Å; V134-M458 HydrophobicContact CG2-SD 4.49Å
135V83.7Confident90.6Very high50 Ų5050.8 Ų50.830%0.30329%0.289SS..SBendtrans-122.692.8-178.6-172.60000109.4G137 H138 Q180V135-G137 PolarHBondContact O-N 3.49Å; V135-H138 HydrophobicContact CB-CB 3.97Å; V135-H138 HydrophobicContact CG1-CB 3.96Å; V135-H138 WeakPolarHBondContact O-CB 3.34Å; V135-H138 PolarHBondContact O-N 2.96Å; V135-H138 VanDerWaalsContact O-N 3.13Å; V135-Q180 HydrophobicContact CG2-CG 4.5Å
136P81.1Confident90.7Very high75 Ų7547.4 Ų47.449%0.48727%0.272SS..THydrogen-bonded Turntrans-56.1130-178.1-2734.9000113.1D133 H138D133-P136 WeakPolarHBondContact OD2-CA 3.47Å; P136-H138 VanDerWaalsContact C-N 3.33Å
137G79.1Confident90.8Very high71 Ų7145.7 Ų45.773%0.73226%0.261SS*.THydrogen-bonded Turntrans85.8-4.7178.700000115V135 S139V135-G137 PolarHBondContact O-N 3.49Å; G137-S139 VanDerWaalsContact C-N 3.3Å; G137-S139 PolarHBondContact O-N 3.26Å
138H79.1Confident90.8Very high87 Ų8744.6 Ų44.640%0.40325%0.254SS..SBendtrans-65.5-32.7177.3-174.6-92.9000113.1V135 P136 G182 N183V135-H138 HydrophobicContact CB-CB 3.97Å; V135-H138 HydrophobicContact CG1-CB 3.96Å; V135-H138 WeakPolarHBondContact O-CB 3.34Å; V135-H138 PolarHBondContact O-N 2.96Å; V135-H138 VanDerWaalsContact O-N 3.13Å; P136-H138 VanDerWaalsContact C-N 3.33Å; H138-G182 PolarHBondContact CE1-O 2.78Å; H138-N183 PolarHBondContact CE1-OD1 3.2Å; H138-N183 VanDerWaalsContact CE1-OD1 3.22Å; H138-N183 PolarHBondContact NE2-OD1 3.33Å
139S84.3Confident90.9Very high25 Ų2542.1 Ų42.118%0.17524%0.243CC..  trans-143.2143.5179.1176.20000110.5G137 V141G137-S139 VanDerWaalsContact C-N 3.3Å; G137-S139 PolarHBondContact O-N 3.26Å; S139-V141 PolarHBondContact OG-N 2.52Å; S139-V141 VanDerWaalsContact OG-N 3.11Å; S139-V141 PolarHBondContact OG-O 3.11Å
140L86.1Confident90.8Very high176 Ų17639.4 Ų39.492%0.92123%0.226SC*.SBendtrans-75.7-31.6170.1-65.9174.3000111.7
141V90Very high90.6Very high63 Ų6341.5 Ų41.538%0.38224%0.244SC..  trans-83.9122.5176.4-176.30000108.5S139 E143 M161 N162S139-V141 PolarHBondContact OG-N 2.52Å; S139-V141 VanDerWaalsContact OG-N 3.11Å; S139-V141 PolarHBondContact OG-O 3.11Å; V141-E143 HydrophobicContact CG1-CB 4.3Å; V141-M161 HydrophobicContact CG1-CB 3.87Å; V141-M161 HydrophobicContact CG1-SD 4.45Å; V141-N162 WeakPolarHBondContact O-CB 3.48Å
142K92.2Very high90.5Very high68 Ų6839.4 Ų39.430%0.29624%0.242SC..  trans-123.47.3-177.8-58-169.8-174.4-164.70114G87 D133 V144G87-K142 WeakPolarHBondContact CA-O 3.16Å; G87-K142 PolarHBondContact N-O 3.4Å; D133-K142 WeakPolarHBondContact OD2-CE 3Å; D133-K142 IonicContact OD2-NZ 2.73Å; D133-K142 PolarHBondContact OD2-NZ 2.86Å; K142-V144 PolarHBondContact O-N 2.96Å
143E94.4Very high90.6Very high36 Ų3639.6 Ų39.617%0.16824%0.243CC..  trans-47.9126.7-174.4174.3159.8176.100113.1N69 S85 V141 A145 S160 M161N69-E143 VanDerWaalsContact ND2-CG 3.32Å; N69-E143 WeakPolarHBondContact ND2-CG 3.39Å; N69-E143 PolarHBondContact ND2-OE1 2.87Å; N69-E143 VanDerWaalsContact ND2-OE1 3.12Å; S85-E143 WeakPolarHBondContact O-CA 3.38Å; S85-E143 PolarHBondContact O-N 2.83Å; V141-E143 HydrophobicContact CG1-CB 4.3Å; E143-A145 PolarHBondContact O-N 3.25Å; E143-S160 CarbonylContact O-C 3.56Å; E143-S160 WeakPolarHBondContact O-CA 3.46Å; E143-S160 WeakPolarHBondContact O-CB 3.18Å; E143-S160 PolarHBondContact O-OG 2.99Å; E143-M161 HydrophobicContact CB-CB 4.3Å; E143-M161 HydrophobicContact CB-CG 4.08Å; E143-M161 HydrophobicContact CB-SD 4.05Å; E143-M161 HydrophobicContact CG-CE 4.03Å; E143-M161 HydrophobicContact CG-CG 4.28Å; E143-M161 HydrophobicContact CG-SD 4.06Å; E143-M161 PolarHBondContact O-N 2.82Å
144V96.9Very high90.9Very high0 Ų042.4 Ų42.40%026%0.258CS..EExtended strand (participates in β ladder)trans-74.5112.5170.7-172.70000107.8I70 D84 V89 C132 K142 L147I70-V144 HydrophobicContact CG2-CB 4.41Å; I70-V144 HydrophobicContact CG2-CG1 3.86Å; D84-V144 WeakPolarHBondContact O-CG2 3.37Å; D84-V144 PolarHBondContact O-N 2.99Å; V89-V144 HydrophobicContact CG2-CG1 4.03Å; V89-V144 HydrophobicContact CG2-CG2 3.76Å; C132-V144 HydrophobicContact CB-CG2 4.35Å; K142-V144 PolarHBondContact O-N 2.96Å; V144-L147 HydrophobicContact CG1-CD2 4.1Å; V144-L147 HydrophobicContact CG1-CG 4.32Å
145A96Very high91.4Very high4 Ų443 Ų433%0.03326%0.261CS..EExtended strand (participates in β ladder)trans-86.2-39-176.800000111.9E143 T159 M161 G186E143-A145 PolarHBondContact O-N 3.25Å; A145-T159 HydrophobicContact CB-CG2 4.42Å; A145-T159 PolarHBondContact N-O 3Å; A145-M161 HydrophobicContact CB-CG 4.35Å; A145-G186 VanDerWaalsContact CB-O 3.24Å; A145-G186 WeakPolarHBondContact CB-O 3.2Å
146D97.4Very high92Very high3 Ų340.7 Ų40.72%0.01625%0.247CC..EExtended strand (participates in β ladder)trans-158161.7-177.7-159.314.3000113.4I70 T159 G188 V189 S250I70-D146 WeakPolarHBondContact CD1-OD1 3.43Å; D146-T159 HydrophobicContact CB-CG2 3.83Å; D146-T159 PolarHBondContact N-O 2.89Å; D146-T159 PolarHBondContact O-N 3.07Å; D146-T159 VanDerWaalsContact O-N 3.08Å; D146-G188 WeakPolarHBondContact OD2-CA 3.39Å; D146-V189 HydrophobicContact CB-CG1 4.04Å; D146-V189 PolarHBondContact OD2-N 3.11Å; D146-S250 VanDerWaalsContact CG-OG 3.23Å; D146-S250 WeakPolarHBondContact OD2-CB 3.31Å; D146-S250 PolarHBondContact OD2-OG 3.02Å
147L97.3Very high92.7Very high3 Ų337.2 Ų37.22%0.01622%0.224CC..EExtended strand (participates in β ladder)trans-138.4141-175.2-64.8169.2000110.3I70 R72 A81 V89 V144 L156 A157 T158I70-L147 HydrophobicContact CB-CD1 4.2Å; I70-L147 HydrophobicContact CB-CG 4.42Å; I70-L147 HydrophobicContact CG1-CB 4.02Å; I70-L147 HydrophobicContact CG1-CD1 3.89Å; I70-L147 HydrophobicContact CG1-CG 3.93Å; I70-L147 HydrophobicContact CG2-CD1 3.45Å; I70-L147 VanDerWaalsContact CG2-CD1 3.45Å; I70-L147 HydrophobicContact CG2-CG 3.65Å; R72-L147 HydrophobicContact CB-CB 4.47Å; R72-L147 HydrophobicContact CG-CB 3.95Å; A81-L147 HydrophobicContact CB-CD1 4.04Å; V89-L147 HydrophobicContact CG1-CD2 4.17Å; V89-L147 HydrophobicContact CG2-CD2 4.15Å; V144-L147 HydrophobicContact CG1-CD2 4.1Å; V144-L147 HydrophobicContact CG1-CG 4.32Å; L147-L156 HydrophobicContact CB-CD1 4.46Å; L147-L156 HydrophobicContact CD2-CD1 4.46Å; L147-L156 HydrophobicContact CD2-CD2 4.47Å; L147-A157 WeakPolarHBondContact CA-O 3.37Å; L147-T158 HydrophobicContact CD2-CG2 3.51Å
148S97.6Very high93.6Very high18 Ų1833.8 Ų33.813%0.12619%0.19CC..EExtended strand (participates in β ladder)trans-142.7119.8173.7-175.90000111.4A157 V189 C191S148-A157 PolarHBondContact N-O 2.81Å; S148-A157 PolarHBondContact O-N 2.8Å; S148-V189 WeakPolarHBondContact CB-O 3.32Å; S148-C191 PolarHBondContact OG-N 3.36Å
149W97.5Very high94.4Very high9 Ų929.7 Ų29.73%0.03417%0.17CC..EExtended strand (participates in β ladder)trans-71.7146.3172.2-71.9101.5000110.7R72 F79 A81 V91 L156 R170R72-W149 PolarHBondContact O-NE1 3.38Å; F79-W149 HydrophobicContact CB-CH2 3.8Å; F79-W149 HydrophobicContact CB-CZ2 3.92Å; F79-W149 HydrophobicContact CG-CH2 4.48Å; A81-W149 HydrophobicContact CB-CZ2 3.59Å; V91-W149 HydrophobicContact CG1-CH2 3.87Å; V91-W149 HydrophobicContact CG1-CZ2 4.41Å; W149-L156 HydrophobicContact CD2-CD1 3.83Å; W149-L156 HydrophobicContact CE3-CB 4.27Å; W149-L156 HydrophobicContact CE3-CD1 4.17Å; W149-L156 HydrophobicContact CG-CD1 4.15Å; W149-L156 HydrophobicContact CZ2-CD1 4.37Å; W149-L156 HydrophobicContact CZ3-CB 4.24Å; W149-R170 HydrophobicContact CH2-CG 3.86Å; W149-R170 HydrophobicContact CZ3-CB 4.02Å; W149-R170 HydrophobicContact CZ3-CG 3.68Å
150S94.8Very high94.9Very high1 Ų128.5 Ų28.51%0.00716%0.162CC..  trans-73.7162.1164.877.20000111.2H75 S152 D153 L155 E195H75-S150 PolarHBondContact CE1-O 2.69Å; H75-S150 PolarHBondContact ND1-O 2.87Å; S150-S152 PolarHBondContact O-N 3.2Å; S150-S152 PolarHBondContact OG-OG 3.25Å; S150-D153 PolarHBondContact O-N 3.38Å; S150-D153 VanDerWaalsContact O-N 3.13Å; S150-L155 PolarHBondContact N-O 3.38Å; S150-L155 PolarHBondContact OG-N 3.26Å; S150-L155 VanDerWaalsContact OG-N 3.12Å; S150-L155 PolarHBondContact OG-O 3.23Å; S150-E195 WeakPolarHBondContact CB-OE1 3.3Å; S150-E195 PolarHBondContact OG-OE1 2.78Å
151A92.9Very high95.2Very high51 Ų5120.6 Ų20.642%0.42112%0.121SC..THydrogen-bonded Turntrans-64.3-28.9-177.500000113D153 P193A151-D153 VanDerWaalsContact C-N 3.35Å; A151-P193 HydrophobicContact CB-CB 4.23Å; A151-P193 WeakPolarHBondContact CB-O 3.47Å
152S92.4Very high95.3Very high57 Ų5717.9 Ų17.940%0.39910%0.104SC..THydrogen-bonded Turntrans-82-7.2175.967.90000114.7S150 D154 E195S150-S152 PolarHBondContact O-N 3.2Å; S150-S152 PolarHBondContact OG-OG 3.25Å; S152-D154 PolarHBondContact O-N 3.21Å; S152-D154 PolarHBondContact OG-N 2.73Å; S152-E195 WeakPolarHBondContact CB-OE1 2.76Å; S152-E195 PolarHBondContact N-OE1 3.02Å; S152-E195 PolarHBondContact OG-OE1 2.98Å; S152-E195 PolarHBondContact OG-OE2 3.4Å
153D95.5Very high95.2Very high6 Ų614.6 Ų14.63%0.0329%0.09CC..SBendtrans62.97.5-169.1-62-16.6000115.7S74 H75 S76 F79 S150 A151 R170S74-D153 WeakPolarHBondContact CB-OD1 3.29Å; S74-D153 VanDerWaalsContact CB-OD2 3.26Å; S74-D153 WeakPolarHBondContact CB-OD2 3.39Å; S74-D153 PolarHBondContact OG-OD2 2.61Å; H75-D153 WeakPolarHBondContact CB-OD1 3.23Å; H75-D153 IonicContact CG-OD1 3.96Å; H75-D153 PolarHBondContact N-OD1 2.79Å; H75-D153 PolarHBondContact N-OD2 3.03Å; H75-D153 IonicContact ND1-OD1 2.71Å; H75-D153 PolarHBondContact ND1-OD1 3.29Å; S76-D153 WeakPolarHBondContact CA-OD2 3.46Å; S76-D153 WeakPolarHBondContact CB-OD2 3.47Å; S76-D153 PolarHBondContact N-OD2 2.98Å; S76-D153 PolarHBondContact OG-OD2 2.7Å; F79-D153 HydrophobicContact CD2-CB 4.36Å; S150-D153 PolarHBondContact O-N 3.38Å; S150-D153 VanDerWaalsContact O-N 3.13Å; A151-D153 VanDerWaalsContact C-N 3.35Å; D153-R170 WeakPolarHBondContact O-CD 3.34Å; D153-R170 PolarHBondContact O-NE 2.96Å
154D94.9Very high95.1Very high83 Ų8313 Ų1344%0.4448%0.082SC..SBendtrans-85.7-20.6178.9-77.7-35.2000113.7S152 R170S152-D154 PolarHBondContact O-N 3.21Å; S152-D154 PolarHBondContact OG-N 2.73Å; D154-R170 WeakPolarHBondContact O-CB 3.47Å; D154-R170 PolarHBondContact O-N 2.77Å; D154-R170 IonicContact OD1-NH2 3.64Å; D154-R170 PolarHBondContact OD1-NH2 2.83Å
155L95.5Very high95Very high18 Ų1813 Ų139%0.0948%0.082CC..EExtended strand (participates in β ladder)trans-119.2147.4177.6-54.4170.6000111.9S150 L167 W168 Y169 C176 E195S150-L155 PolarHBondContact N-O 3.38Å; S150-L155 PolarHBondContact OG-N 3.26Å; S150-L155 VanDerWaalsContact OG-N 3.12Å; S150-L155 PolarHBondContact OG-O 3.23Å; L155-L167 HydrophobicContact CB-CD1 3.86Å; L155-L167 HydrophobicContact CB-CG 4.37Å; L155-L167 HydrophobicContact CD1-CD1 4.39Å; L155-L167 HydrophobicContact CD1-CD2 4.14Å; L155-L167 HydrophobicContact CD1-CG 4.36Å; L155-W168 VanDerWaalsContact CA-O 3.23Å; L155-W168 WeakPolarHBondContact CA-O 3.4Å; L155-Y169 HydrophobicContact CD2-CD1 3.49Å; L155-Y169 VanDerWaalsContact CD2-CD1 3.49Å; L155-Y169 HydrophobicContact CD2-CE1 3.75Å; L155-Y169 HydrophobicContact CD2-CG 4.27Å; L155-C176 HydrophobicContact CD2-CB 4.32Å; L155-E195 HydrophobicContact CD1-CB 4.36Å
156L97Very high94.9Very high1 Ų112.8 Ų12.81%0.0058%0.08CC..EExtended strand (participates in β ladder)trans-126.9121.4172.6178.965.7000108.3A81 V89 V91 L130 L147 W149 T158 W168A81-L156 HydrophobicContact CB-CD1 4.09Å; A81-L156 HydrophobicContact CB-CD2 3.85Å; V89-L156 HydrophobicContact CG1-CD2 4.05Å; V91-L156 HydrophobicContact CG2-CD2 4.09Å; L130-L156 HydrophobicContact CD1-CD2 4.32Å; L147-L156 HydrophobicContact CB-CD1 4.46Å; L147-L156 HydrophobicContact CD2-CD1 4.46Å; L147-L156 HydrophobicContact CD2-CD2 4.47Å; W149-L156 HydrophobicContact CD2-CD1 3.83Å; W149-L156 HydrophobicContact CE3-CB 4.27Å; W149-L156 HydrophobicContact CE3-CD1 4.17Å; W149-L156 HydrophobicContact CG-CD1 4.15Å; W149-L156 HydrophobicContact CZ2-CD1 4.37Å; W149-L156 HydrophobicContact CZ3-CB 4.24Å; L156-T158 HydrophobicContact CD2-CG2 4.36Å; L156-T158 HydrophobicContact CG-CG2 4.26Å; L156-W168 PolarHBondContact N-O 2.98Å; L156-W168 VanDerWaalsContact O-CD1 3.23Å; L156-W168 PolarHBondContact O-N 2.97Å
157A96.8Very high94.7Very high1 Ų112.7 Ų12.71%0.0088%0.08CC..EExtended strand (participates in β ladder)trans-91.3132.5170.600000109.6L147 S148 I166 L167 V189 V198L147-A157 WeakPolarHBondContact CA-O 3.37Å; S148-A157 PolarHBondContact N-O 2.81Å; S148-A157 PolarHBondContact O-N 2.8Å; A157-I166 CarbonylContact C-O 3.49Å; A157-I166 WeakPolarHBondContact CA-O 3.47Å; A157-L167 HydrophobicContact CB-CD1 4.06Å; A157-V189 HydrophobicContact CB-CG2 3.83Å; A157-V198 HydrophobicContact CB-CG1 4.15Å
158T97.3Very high94.6Very high0 Ų013.1 Ų13.10%08%0.082CC..EExtended strand (participates in β ladder)trans-124.2142.717863.50000109.4V89 L147 L156 V165 I166 W168V89-T158 HydrophobicContact CG2-CG2 4.26Å; L147-T158 HydrophobicContact CD2-CG2 3.51Å; L156-T158 HydrophobicContact CD2-CG2 4.36Å; L156-T158 HydrophobicContact CG-CG2 4.26Å; T158-V165 WeakPolarHBondContact O-CA 3.24Å; T158-I166 PolarHBondContact N-O 2.94Å; T158-I166 PolarHBondContact O-N 3.09Å; T158-I166 PolarHBondContact OG1-O 3.27Å; T158-W168 VanDerWaalsContact CG2-CD1 3.45Å; T158-W168 PolarHBondContact OG1-NE1 3.02Å
159T95.7Very high94.5Very high0 Ų017.7 Ų17.70%010%0.097CC..EExtended strand (participates in β ladder)trans-129.7142.8168.9-170.60000111.1A145 D146 S164 G186 V189A145-T159 HydrophobicContact CB-CG2 4.42Å; A145-T159 PolarHBondContact N-O 3Å; D146-T159 HydrophobicContact CB-CG2 3.83Å; D146-T159 PolarHBondContact N-O 2.89Å; D146-T159 PolarHBondContact O-N 3.07Å; D146-T159 VanDerWaalsContact O-N 3.08Å; T159-S164 WeakPolarHBondContact CA-O 3.33Å; T159-G186 VanDerWaalsContact OG1-CA 3.3Å; T159-G186 WeakPolarHBondContact OG1-CA 3.46Å; T159-V189 HydrophobicContact CG2-CB 3.81Å; T159-V189 HydrophobicContact CG2-CG1 3.93Å
160S94.8Very high94.5Very high0 Ų018.2 Ų18.20%010%0.099CC..EExtended strand (participates in β ladder)trans-129.2157.2-176.8-73.30000112.8C132 E143 N162 G163 S164 G186C132-S160 WeakPolarHBondContact CB-OG 3.36Å; E143-S160 CarbonylContact O-C 3.56Å; E143-S160 WeakPolarHBondContact O-CA 3.46Å; E143-S160 WeakPolarHBondContact O-CB 3.18Å; E143-S160 PolarHBondContact O-OG 2.99Å; S160-N162 WeakPolarHBondContact CB-OD1 3.39Å; S160-N162 PolarHBondContact O-N 3.31Å; S160-G163 PolarHBondContact O-N 3.16Å; S160-S164 PolarHBondContact N-O 2.86Å; S160-G186 PolarHBondContact O-N 3.4Å; S160-G186 VanDerWaalsContact O-N 3.11Å
161M93Very high94.5Very high11 Ų1124 Ų245%0.05413%0.126CC..THydrogen-bonded Turntrans-68.8-8.8177.9-64.5-166.9-177.200113.3V141 E143 A145 G163 W185 F247V141-M161 HydrophobicContact CG1-CB 3.87Å; V141-M161 HydrophobicContact CG1-SD 4.45Å; E143-M161 HydrophobicContact CB-CB 4.3Å; E143-M161 HydrophobicContact CB-CG 4.08Å; E143-M161 HydrophobicContact CB-SD 4.05Å; E143-M161 HydrophobicContact CG-CE 4.03Å; E143-M161 HydrophobicContact CG-CG 4.28Å; E143-M161 HydrophobicContact CG-SD 4.06Å; E143-M161 PolarHBondContact O-N 2.82Å; A145-M161 HydrophobicContact CB-CG 4.35Å; M161-G163 PolarHBondContact O-N 2.59Å; M161-W185 HydrophobicContact CB-CB 4.36Å; M161-W185 HydrophobicContact CB-CD2 4.47Å; M161-W185 HydrophobicContact CB-CG 4.35Å; M161-W185 PolarHBondContact O-NE1 3.21Å; M161-W185 HydrophobicContact SD-CE3 4.5Å; M161-F247 HydrophobicContact CE-CB 4.41Å; M161-F247 HydrophobicContact CE-CD1 4.4Å
162N90.6Very high94.6Very high5 Ų525.3 Ų25.33%0.02713%0.128CC..THydrogen-bonded Turntrans-79.72.8166.459.35.1000113.5C132 V141 S160 S164 Q180C132-N162 PolarHBondContact O-ND2 3.05Å; V141-N162 WeakPolarHBondContact O-CB 3.48Å; S160-N162 WeakPolarHBondContact CB-OD1 3.39Å; S160-N162 PolarHBondContact O-N 3.31Å; N162-S164 VanDerWaalsContact C-N 3.29Å; N162-S164 PolarHBondContact ND2-OG 3.29Å; N162-S164 PolarHBondContact O-N 2.92Å; N162-S164 WeakPolarHBondContact OD1-CB 3.27Å; N162-S164 PolarHBondContact OD1-N 2.52Å; N162-S164 PolarHBondContact OD1-OG 3.21Å; N162-S164 VanDerWaalsContact OD1-OG 3.11Å; N162-Q180 PolarHBondContact O-NE2 3.21Å
163G90.3Very high94.7Very high0 Ų023.2 Ų23.20%012%0.116CC..SBendtrans80.15.9-174.900000114.5S160 M161 C181 A184S160-G163 PolarHBondContact O-N 3.16Å; M161-G163 PolarHBondContact O-N 2.59Å; G163-C181 WeakPolarHBondContact O-CB 3.37Å; G163-C181 PolarHBondContact O-N 3.33Å; G163-C181 PolarHBondContact O-SG 2.71Å; G163-A184 WeakPolarHBondContact CA-O 3.46Å
164S93.6Very high94.6Very high1 Ų126.9 Ų26.91%0.00714%0.135CC..EExtended strand (participates in β ladder)trans-71.9130.3173.8-70.40000110.8V134 T159 S160 N162V134-S164 WeakPolarHBondContact CG2-OG 3.35Å; V134-S164 PolarHBondContact N-OG 2.94Å; T159-S164 WeakPolarHBondContact CA-O 3.33Å; S160-S164 PolarHBondContact N-O 2.86Å; N162-S164 VanDerWaalsContact C-N 3.29Å; N162-S164 PolarHBondContact ND2-OG 3.29Å; N162-S164 PolarHBondContact O-N 2.92Å; N162-S164 WeakPolarHBondContact OD1-CB 3.27Å; N162-S164 PolarHBondContact OD1-N 2.52Å; N162-S164 PolarHBondContact OD1-OG 3.21Å; N162-S164 VanDerWaalsContact OD1-OG 3.11Å
165V93.7Very high94.6Very high0 Ų023.7 Ų23.70%012%0.119CC..EExtended strand (participates in β ladder)trans-124.4120.4168.4-178.60000107.4T158 A178 W179 C181 V200 F210T158-V165 WeakPolarHBondContact O-CA 3.24Å; V165-A178 CarbonylContact O-C 3.58Å; V165-A178 WeakPolarHBondContact O-CA 3.4Å; V165-W179 HydrophobicContact CB-CB 4.34Å; V165-W179 HydrophobicContact CB-CE3 4.29Å; V165-W179 HydrophobicContact CG1-CE3 3.89Å; V165-W179 HydrophobicContact CG1-CZ3 4.38Å; V165-W179 PolarHBondContact N-O 3.1Å; V165-W179 PolarHBondContact O-N 2.99Å; V165-C181 VanDerWaalsContact CG2-SG 3.53Å; V165-V200 HydrophobicContact CB-CG2 4.49Å; V165-V200 HydrophobicContact CG1-CG2 3.73Å; V165-V200 HydrophobicContact CG2-CB 4.43Å; V165-V200 HydrophobicContact CG2-CG1 4.01Å; V165-V200 HydrophobicContact CG2-CG2 3.89Å; V165-F210 HydrophobicContact CB-CE2 4.42Å; V165-F210 HydrophobicContact CG1-CD2 4.32Å; V165-F210 HydrophobicContact CG1-CE2 4.16Å; V165-F210 HydrophobicContact CG2-CE2 4.15Å; V165-F210 HydrophobicContact CG2-CZ 4.28Å
166I94.1Very high94.3Very high0 Ų024.4 Ų24.40%013%0.125CC..EExtended strand (participates in β ladder)trans-133132.7-174.4-52.6160.5000109.1C132 V134 A157 T158 W168 P175 R177 A178 M458C132-I166 HydrophobicContact CB-CD1 4.45Å; V134-I166 HydrophobicContact CG2-CD1 3.66Å; V134-I166 HydrophobicContact CG2-CG1 3.42Å; V134-I166 VanDerWaalsContact CG2-CG1 3.42Å; A157-I166 CarbonylContact C-O 3.49Å; A157-I166 WeakPolarHBondContact CA-O 3.47Å; T158-I166 PolarHBondContact N-O 2.94Å; T158-I166 PolarHBondContact O-N 3.09Å; T158-I166 PolarHBondContact OG1-O 3.27Å; I166-W168 HydrophobicContact CB-CD2 4.45Å; I166-W168 HydrophobicContact CB-CZ2 3.87Å; I166-W168 HydrophobicContact CD1-CH2 3.95Å; I166-W168 HydrophobicContact CD1-CZ2 3.35Å; I166-W168 HydrophobicContact CG1-CZ2 4.21Å; I166-W168 HydrophobicContact CG2-CD2 3.62Å; I166-W168 HydrophobicContact CG2-CE3 4.14Å; I166-W168 HydrophobicContact CG2-CG 4.09Å; I166-W168 HydrophobicContact CG2-CH2 4.07Å; I166-W168 HydrophobicContact CG2-CZ2 3.57Å; I166-W168 HydrophobicContact CG2-CZ3 4.34Å; I166-P175 HydrophobicContact CG2-CB 3.88Å; I166-R177 WeakPolarHBondContact CA-O 3.07Å; I166-R177 WeakPolarHBondContact CG2-O 3.42Å; I166-A178 HydrophobicContact CG1-CB 4.34Å; I166-M458 HydrophobicContact CD1-CE 3.48Å; I166-M458 VanDerWaalsContact CD1-CE 3.48Å; I166-M458 HydrophobicContact CG1-CE 4.09Å
167L94.3Very high94Very high2 Ų226.4 Ų26.41%0.0113%0.133CC..EExtended strand (participates in β ladder)trans-101.8118169.6-172.363.1000107.6L155 A157 C176 R177 W179 V198L155-L167 HydrophobicContact CB-CD1 3.86Å; L155-L167 HydrophobicContact CB-CG 4.37Å; L155-L167 HydrophobicContact CD1-CD1 4.39Å; L155-L167 HydrophobicContact CD1-CD2 4.14Å; L155-L167 HydrophobicContact CD1-CG 4.36Å; A157-L167 HydrophobicContact CB-CD1 4.06Å; L167-C176 HydrophobicContact CG-CB 4.36Å; L167-C176 WeakPolarHBondContact O-CA 3.29Å; L167-C176 VanDerWaalsContact O-CB 3.25Å; L167-C176 WeakPolarHBondContact O-CB 3.3Å; L167-C176 PolarHBondContact O-N 3.09Å; L167-R177 HydrophobicContact CB-CB 4.33Å; L167-R177 PolarHBondContact N-O 2.93Å; L167-R177 PolarHBondContact O-N 3.09Å; L167-R177 VanDerWaalsContact O-N 3.16Å; L167-W179 HydrophobicContact CB-CH2 4.31Å; L167-W179 HydrophobicContact CB-CZ3 4.02Å; L167-V198 HydrophobicContact CD1-CG2 4.49Å
168W95.5Very high93.7Very high12 Ų1226.4 Ų26.45%0.04513%0.132CC..EExtended strand (participates in β ladder)trans-105.9142.2-174.6-54.689000111L130 F131 L155 L156 T158 I166 R170 P175 M458L130-W168 HydrophobicContact CB-CD2 4.38Å; L130-W168 HydrophobicContact CB-CE3 4.37Å; L130-W168 HydrophobicContact CB-CH2 4.24Å; L130-W168 HydrophobicContact CB-CZ2 4.21Å; L130-W168 HydrophobicContact CB-CZ3 4.31Å; L130-W168 HydrophobicContact CD1-CB 4.16Å; L130-W168 HydrophobicContact CD1-CD2 3.92Å; L130-W168 HydrophobicContact CD1-CE3 4.32Å; L130-W168 HydrophobicContact CD1-CG 3.85Å; L130-W168 HydrophobicContact CD2-CE3 4.16Å; F131-W168 VanDerWaalsContact O-CH2 3.31Å; F131-W168 WeakPolarHBondContact O-CH2 3.38Å; L155-W168 VanDerWaalsContact CA-O 3.23Å; L155-W168 WeakPolarHBondContact CA-O 3.4Å; L156-W168 PolarHBondContact N-O 2.98Å; L156-W168 VanDerWaalsContact O-CD1 3.23Å; L156-W168 PolarHBondContact O-N 2.97Å; T158-W168 VanDerWaalsContact CG2-CD1 3.45Å; T158-W168 PolarHBondContact OG1-NE1 3.02Å; I166-W168 HydrophobicContact CB-CD2 4.45Å; I166-W168 HydrophobicContact CB-CZ2 3.87Å; I166-W168 HydrophobicContact CD1-CH2 3.95Å; I166-W168 HydrophobicContact CD1-CZ2 3.35Å; I166-W168 HydrophobicContact CG1-CZ2 4.21Å; I166-W168 HydrophobicContact CG2-CD2 3.62Å; I166-W168 HydrophobicContact CG2-CE3 4.14Å; I166-W168 HydrophobicContact CG2-CG 4.09Å; I166-W168 HydrophobicContact CG2-CH2 4.07Å; I166-W168 HydrophobicContact CG2-CZ2 3.57Å; I166-W168 HydrophobicContact CG2-CZ3 4.34Å; W168-R170 PolarHBondContact O-N 3.12Å; W168-P175 HydrophobicContact CE3-CB 4.17Å; W168-P175 HydrophobicContact CZ3-CB 4.17Å; W168-P175 HydrophobicContact CZ3-CG 4.38Å; W168-M458 HydrophobicContact CH2-CE 4.41Å
169Y95.2Very high93.4Very high113 Ų11326.4 Ų26.444%0.44313%0.133SC..EExtended strand (participates in β ladder)trans-73.3114.6159.8-69.9-66.1000109.2L155 Q171 T172 G173 L174 C176L155-Y169 HydrophobicContact CD2-CD1 3.49Å; L155-Y169 VanDerWaalsContact CD2-CD1 3.49Å; L155-Y169 HydrophobicContact CD2-CE1 3.75Å; L155-Y169 HydrophobicContact CD2-CG 4.27Å; Y169-Q171 VanDerWaalsContact C-N 3.27Å; Y169-Q171 PolarHBondContact O-N 3.25Å; Y169-T172 VanDerWaalsContact CB-OG1 3.27Å; Y169-T172 WeakPolarHBondContact CB-OG1 3.49Å; Y169-G173 VanDerWaalsContact O-CA 3.25Å; Y169-G173 WeakPolarHBondContact O-CA 3.38Å; Y169-G173 PolarHBondContact O-N 2.6Å; Y169-L174 PolarHBondContact N-O 2.99Å; Y169-C176 HydrophobicContact CD1-CB 4.44Å; Y169-C176 HydrophobicContact CD2-CB 3.77Å; Y169-C176 HydrophobicContact CE1-CB 4.17Å; Y169-C176 HydrophobicContact CE2-CB 3.47Å; Y169-C176 VanDerWaalsContact CE2-CB 3.47Å; Y169-C176 HydrophobicContact CG-CB 4.25Å; Y169-C176 VanDerWaalsContact CZ-SG 3.53Å; Y169-C176 PolarHBondContact OH-SG 3.46Å; Y169-C176 VanDerWaalsContact OH-SG 3.36Å
170R96Very high93.1Very high20 Ų2026.9 Ų26.98%0.07514%0.135CC..THydrogen-bonded Turntrans-55.8-43.6178.4-179.8-155.949.573.810.2111.6F79 V91 W149 D153 D154 W168F79-R170 VanDerWaalsContact CD2-CD 3.42Å; F79-R170 VanDerWaalsContact CZ-NH1 3.31Å; V91-R170 HydrophobicContact CG1-CG 4.17Å; W149-R170 HydrophobicContact CH2-CG 3.86Å; W149-R170 HydrophobicContact CZ3-CB 4.02Å; W149-R170 HydrophobicContact CZ3-CG 3.68Å; D153-R170 WeakPolarHBondContact O-CD 3.34Å; D153-R170 PolarHBondContact O-NE 2.96Å; D154-R170 WeakPolarHBondContact O-CB 3.47Å; D154-R170 PolarHBondContact O-N 2.77Å; D154-R170 IonicContact OD1-NH2 3.64Å; D154-R170 PolarHBondContact OD1-NH2 2.83Å; W168-R170 PolarHBondContact O-N 3.12Å
171Q95Very high92.8Very high123 Ų12326.9 Ų26.958%0.57514%0.135SC*.THydrogen-bonded Turntrans-66.8-44.8-172.3-171.862.324.100112.9K128 Y169K128-Q171 WeakPolarHBondContact CE-O 3.42Å; Y169-Q171 VanDerWaalsContact C-N 3.27Å; Y169-Q171 PolarHBondContact O-N 3.25Å
172T95Very high92.3Very high78 Ų7826.7 Ų26.748%0.47914%0.136SC..THydrogen-bonded Turntrans-93.9-23.9-176.959.70000112.4Y169 L174Y169-T172 VanDerWaalsContact CB-OG1 3.27Å; Y169-T172 WeakPolarHBondContact CB-OG1 3.49Å; T172-L174 PolarHBondContact O-N 3.07Å; T172-L174 PolarHBondContact OG1-N 3.15Å
173G94.6Very high91.9Very high14 Ų1432.4 Ų32.414%0.14417%0.167CC..  trans72.97.9-169.300000113.4L130 Y169L130-G173 WeakPolarHBondContact CD2-O 3.43Å; Y169-G173 VanDerWaalsContact O-CA 3.25Å; Y169-G173 WeakPolarHBondContact O-CA 3.38Å; Y169-G173 PolarHBondContact O-N 2.6Å
174L94.5Very high91.8Very high82 Ų8232.6 Ų32.643%0.42917%0.168SC..  trans-83.6143.5178.8-64.5175.6000110.6Y169 T172 C176 I460Y169-L174 PolarHBondContact N-O 2.99Å; T172-L174 PolarHBondContact O-N 3.07Å; T172-L174 PolarHBondContact OG1-N 3.15Å; L174-C176 PolarHBondContact O-N 2.74Å; L174-I460 HydrophobicContact CD2-CD1 3.66Å
175P93.4Very high91.7Very high17 Ų1737.6 Ų37.611%0.1119%0.187CC..EExtended strand (participates in β ladder)trans-64.9121.6172.524.7-30.2000109.9I166 W168 P455 M458I166-P175 HydrophobicContact CG2-CB 3.88Å; W168-P175 HydrophobicContact CE3-CB 4.17Å; W168-P175 HydrophobicContact CZ3-CB 4.17Å; W168-P175 HydrophobicContact CZ3-CG 4.38Å; P175-P455 HydrophobicContact CB-CB 3.98Å; P175-P455 HydrophobicContact CG-CB 3.83Å; P175-P455 WeakPolarHBondContact O-CB 3.35Å; P175-M458 HydrophobicContact CB-SD 3.92Å; P175-M458 HydrophobicContact CG-SD 3.92Å
176C89.9Confident91.7Very high32 Ų3237.6 Ų37.622%0.21619%0.187CC..EExtended strand (participates in β ladder)trans-73.7-48.4169.8175.70000110.2L155 L167 Y169 L174L155-C176 HydrophobicContact CD2-CB 4.32Å; L167-C176 HydrophobicContact CG-CB 4.36Å; L167-C176 WeakPolarHBondContact O-CA 3.29Å; L167-C176 VanDerWaalsContact O-CB 3.25Å; L167-C176 WeakPolarHBondContact O-CB 3.3Å; L167-C176 PolarHBondContact O-N 3.09Å; Y169-C176 HydrophobicContact CD1-CB 4.44Å; Y169-C176 HydrophobicContact CD2-CB 3.77Å; Y169-C176 HydrophobicContact CE1-CB 4.17Å; Y169-C176 HydrophobicContact CE2-CB 3.47Å; Y169-C176 VanDerWaalsContact CE2-CB 3.47Å; Y169-C176 HydrophobicContact CG-CB 4.25Å; Y169-C176 VanDerWaalsContact CZ-SG 3.53Å; Y169-C176 PolarHBondContact OH-SG 3.46Å; Y169-C176 VanDerWaalsContact OH-SG 3.36Å; L174-C176 PolarHBondContact O-N 2.74Å
177R89.9Confident91.7Very high44 Ų4437.8 Ų37.817%0.16619%0.188CC..EExtended strand (participates in β ladder)trans-146.3152.9175.2-73-164.7174.2-133.96.8110.6I166 L167 W179 A212 E452I166-R177 WeakPolarHBondContact CA-O 3.07Å; I166-R177 WeakPolarHBondContact CG2-O 3.42Å; L167-R177 HydrophobicContact CB-CB 4.33Å; L167-R177 PolarHBondContact N-O 2.93Å; L167-R177 PolarHBondContact O-N 3.09Å; L167-R177 VanDerWaalsContact O-N 3.16Å; R177-W179 HydrophobicContact CB-CE3 4.45Å; R177-W179 HydrophobicContact CB-CH2 3.41Å; R177-W179 VanDerWaalsContact CB-CH2 3.41Å; R177-W179 HydrophobicContact CB-CZ2 3.65Å; R177-W179 HydrophobicContact CB-CZ3 3.84Å; R177-W179 HydrophobicContact CG-CH2 4.21Å; R177-W179 HydrophobicContact CG-CZ2 4.17Å; R177-A212 VanDerWaalsContact CZ-C 3.46Å; R177-A212 PolarHBondContact NE-O 3.11Å; R177-A212 VanDerWaalsContact NE-O 3.07Å; R177-A212 VanDerWaalsContact NH2-C 3.26Å; R177-A212 PolarHBondContact NH2-O 2.94Å; R177-E452 IonicContact CZ-OE1 2.69Å; R177-E452 IonicContact NE-OE1 3.97Å; R177-E452 IonicContact NH1-OE1 2.76Å; R177-E452 PolarHBondContact NH1-OE1 2.96Å; R177-E452 IonicContact NH1-OE2 3.7Å
178A91.4Very high91.8Very high0 Ų037.7 Ų37.70%019%0.187CC..EExtended strand (participates in β ladder)trans-141.1138.2178.300000110.3V134 V165 I166 I453 M458V134-A178 HydrophobicContact CG1-CB 4.13Å; V134-A178 HydrophobicContact CG2-CB 4.05Å; V165-A178 CarbonylContact O-C 3.58Å; V165-A178 WeakPolarHBondContact O-CA 3.4Å; I166-A178 HydrophobicContact CG1-CB 4.34Å; A178-I453 HydrophobicContact CB-CB 4.41Å; A178-I453 PolarHBondContact O-N 3.27Å; A178-M458 HydrophobicContact CB-SD 3.58Å; A178-M458 VanDerWaalsContact CB-SD 3.58Å
179W90.8Very high91.9Very high1 Ų137.3 Ų37.30%0.00419%0.186CC..EExtended strand (participates in β ladder)trans-134.3150.6177.9-54.3-87.7000109.8V165 L167 R177 F210 S451V165-W179 HydrophobicContact CB-CB 4.34Å; V165-W179 HydrophobicContact CB-CE3 4.29Å; V165-W179 HydrophobicContact CG1-CE3 3.89Å; V165-W179 HydrophobicContact CG1-CZ3 4.38Å; V165-W179 PolarHBondContact N-O 3.1Å; V165-W179 PolarHBondContact O-N 2.99Å; L167-W179 HydrophobicContact CB-CH2 4.31Å; L167-W179 HydrophobicContact CB-CZ3 4.02Å; R177-W179 HydrophobicContact CB-CE3 4.45Å; R177-W179 HydrophobicContact CB-CH2 3.41Å; R177-W179 VanDerWaalsContact CB-CH2 3.41Å; R177-W179 HydrophobicContact CB-CZ2 3.65Å; R177-W179 HydrophobicContact CB-CZ3 3.84Å; R177-W179 HydrophobicContact CG-CH2 4.21Å; R177-W179 HydrophobicContact CG-CZ2 4.17Å; W179-F210 HydrophobicContact CB-CD1 3.84Å; W179-F210 HydrophobicContact CB-CE1 3.42Å; W179-F210 VanDerWaalsContact CB-CE1 3.42Å; W179-F210 HydrophobicContact CB-CZ 4.08Å; W179-F210 AromaticContact CD1-CD1 3.45Å; W179-F210 VanDerWaalsContact CD1-CD1 3.45Å; W179-F210 AromaticContact CD1-CE1 3.78Å; W179-F210 HydrophobicContact CD2-CB 4.26Å; W179-F210 AromaticContact CD2-CD1 3.53Å; W179-F210 HydrophobicContact CD2-CD1 3.53Å; W179-F210 HydrophobicContact CD2-CE1 4.1Å; W179-F210 AromaticContact CD2-CG 3.98Å; W179-F210 HydrophobicContact CD2-CG 3.98Å; W179-F210 AromaticContact CE2-CD1 3.73Å; W179-F210 HydrophobicContact CE3-CD1 4.25Å; W179-F210 HydrophobicContact CE3-CG 4.31Å; W179-F210 AromaticContact CG-CD1 3.33Å; W179-F210 HydrophobicContact CG-CD1 3.33Å; W179-F210 AromaticContact CG-CE1 3.48Å; W179-F210 HydrophobicContact CG-CE1 3.48Å; W179-F210 VanDerWaalsContact CG-CE1 3.48Å; W179-F210 HydrophobicContact CG-CG 4.23Å; W179-F210 HydrophobicContact CG-CZ 4.44Å; W179-F210 HydrophobicContact CH2-CB 4.2Å; W179-F210 HydrophobicContact CZ2-CB 3.91Å; W179-F210 AromaticContact NE1-CD1 3.66Å; W179-S451 WeakPolarHBondContact CA-O 3.39Å
180Q90Very high92Very high9 Ų932.3 Ų32.34%0.04217%0.168CC..EExtended strand (participates in β ladder)trans-117.8123.3176-176.46236.500109.3V135 N162 G182 F450 S451 I453V135-Q180 HydrophobicContact CG2-CG 4.5Å; N162-Q180 PolarHBondContact O-NE2 3.21Å; Q180-G182 PolarHBondContact NE2-O 3.26Å; Q180-G182 PolarHBondContact O-N 2.73Å; Q180-G182 VanDerWaalsContact O-N 3.09Å; Q180-F450 WeakPolarHBondContact O-CA 3.21Å; Q180-S451 PolarHBondContact N-O 2.79Å; Q180-S451 PolarHBondContact O-N 3Å; Q180-I453 HydrophobicContact CB-CG1 4.2Å
181C87.7Confident91.9Very high0 Ų031.9 Ų31.90%017%0.167CC..  trans-80.736176.2-54.10000113.1G163 V165 N183 A184 V202 F450G163-C181 WeakPolarHBondContact O-CB 3.37Å; G163-C181 PolarHBondContact O-N 3.33Å; G163-C181 PolarHBondContact O-SG 2.71Å; V165-C181 VanDerWaalsContact CG2-SG 3.53Å; C181-N183 PolarHBondContact O-N 3.36Å; C181-A184 HydrophobicContact CB-CB 4.32Å; C181-A184 VanDerWaalsContact O-CB 3.3Å; C181-A184 WeakPolarHBondContact O-CB 3.49Å; C181-A184 PolarHBondContact O-N 3.04Å; C181-V202 HydrophobicContact CB-CG1 4.32Å; C181-F450 HydrophobicContact CB-CD1 4.21Å; C181-F450 HydrophobicContact CB-CE1 3.48Å; C181-F450 VanDerWaalsContact CB-CE1 3.48Å; C181-F450 HydrophobicContact CB-CZ 4Å; C181-F450 WeakPolarHBondContact SG-CE1 3.41Å
182G82.2Confident91.9Very high8 Ų826.6 Ų26.68%0.08214%0.143CC..THydrogen-bonded Turntrans50.3-124.2-170.800000111.5H138 Q180H138-G182 PolarHBondContact CE1-O 2.78Å; Q180-G182 PolarHBondContact NE2-O 3.26Å; Q180-G182 PolarHBondContact O-N 2.73Å; Q180-G182 VanDerWaalsContact O-N 3.09Å
183N82.8Confident91.7Very high125 Ų12524 Ų2467%0.66813%0.128SC*.THydrogen-bonded Turntrans-942.8175.8-66.4-15000113.6H138 C181H138-N183 PolarHBondContact CE1-OD1 3.2Å; H138-N183 VanDerWaalsContact CE1-OD1 3.22Å; H138-N183 PolarHBondContact NE2-OD1 3.33Å; C181-N183 PolarHBondContact O-N 3.36Å
184A88.6Confident91.3Very high3 Ų325.2 Ų25.23%0.02513%0.133CC..PPolyproline II helixtrans-79.7139.7178.100000110.3G163 C181 V202 N203 K204G163-A184 WeakPolarHBondContact CA-O 3.46Å; C181-A184 HydrophobicContact CB-CB 4.32Å; C181-A184 VanDerWaalsContact O-CB 3.3Å; C181-A184 WeakPolarHBondContact O-CB 3.49Å; C181-A184 PolarHBondContact O-N 3.04Å; A184-V202 HydrophobicContact CB-CB 4.07Å; A184-V202 HydrophobicContact CB-CG1 4.5Å; A184-V202 HydrophobicContact CB-CG2 4.29Å; A184-N203 WeakPolarHBondContact CA-OD1 3.21Å; A184-K204 HydrophobicContact CB-CG 3.79Å
185W91Very high90.8Very high107 Ų10723.8 Ų23.841%0.40513%0.125SC..PPolyproline II helixtrans-84.8131.3178.6-60.1-6.6000109.1M161 L187 V202 N203M161-W185 HydrophobicContact CB-CB 4.36Å; M161-W185 HydrophobicContact CB-CD2 4.47Å; M161-W185 HydrophobicContact CB-CG 4.35Å; M161-W185 PolarHBondContact O-NE1 3.21Å; M161-W185 HydrophobicContact SD-CE3 4.5Å; W185-L187 HydrophobicContact CB-CD2 4.48Å; W185-V202 CarbonylContact O-C 3.56Å; W185-V202 WeakPolarHBondContact O-CA 3.12Å; W185-V202 WeakPolarHBondContact O-CB 3.32Å; W185-N203 HydrophobicContact CB-CB 4.2Å; W185-N203 VanDerWaalsContact CG-ND2 3.32Å; W185-N203 PolarHBondContact N-OD1 3.01Å; W185-N203 PolarHBondContact O-N 3.43Å
186G93.2Very high90.4Very high0 Ų025.6 Ų25.60%013%0.132CC..EExtended strand (participates in β ladder)trans-76.8131.2169.100000110.3A145 T159 S160A145-G186 VanDerWaalsContact CB-O 3.24Å; A145-G186 WeakPolarHBondContact CB-O 3.2Å; T159-G186 VanDerWaalsContact OG1-CA 3.3Å; T159-G186 WeakPolarHBondContact OG1-CA 3.46Å; S160-G186 PolarHBondContact O-N 3.4Å; S160-G186 VanDerWaalsContact O-N 3.11Å
187L95Very high90.4Very high4 Ų424.1 Ų24.12%0.02112%0.121CC..EExtended strand (participates in β ladder)trans-117.2-21.4-172.7-62.2-180000113.2W185 M201 N203 K248 M249W185-L187 HydrophobicContact CB-CD2 4.48Å; L187-M201 PolarHBondContact N-O 2.88Å; L187-N203 HydrophobicContact CD1-CB 3.95Å; L187-N203 HydrophobicContact CG-CB 4.36Å; L187-K248 CarbonylContact O-C 3.51Å; L187-K248 WeakPolarHBondContact O-CA 3.41Å; L187-M249 HydrophobicContact CB-CB 3.73Å; L187-M249 HydrophobicContact CB-CG 4.08Å; L187-M249 HydrophobicContact CD1-CB 4.38Å; L187-M249 HydrophobicContact CD1-CG 3.91Å; L187-M249 PolarHBondContact O-N 3.01Å
188G96Very high90.5Very high0 Ų022 Ų220%011%0.114CC..EExtended strand (participates in β ladder)trans-166.6151.1178.800000111.7D146 V200 M201 M249D146-G188 WeakPolarHBondContact OD2-CA 3.39Å; G188-V200 CarbonylContact O-C 3.57Å; G188-V200 VanDerWaalsContact O-CA 3.23Å; G188-V200 WeakPolarHBondContact O-CA 3.2Å; G188-M201 PolarHBondContact O-N 2.93Å; G188-M249 VanDerWaalsContact CA-O 3.3Å; G188-M249 WeakPolarHBondContact CA-O 3.29Å
189V96.9Very high90.7Very high4 Ų422 Ų222%0.02411%0.114CC..EExtended strand (participates in β ladder)trans-139.3141.6-175.365.40000111.5D146 S148 A157 T159 V198 V199 V200D146-V189 HydrophobicContact CB-CG1 4.04Å; D146-V189 PolarHBondContact OD2-N 3.11Å; S148-V189 WeakPolarHBondContact CB-O 3.32Å; A157-V189 HydrophobicContact CB-CG2 3.83Å; T159-V189 HydrophobicContact CG2-CB 3.81Å; T159-V189 HydrophobicContact CG2-CG1 3.93Å; V189-V198 HydrophobicContact CG2-CG1 3.47Å; V189-V198 VanDerWaalsContact CG2-CG1 3.47Å; V189-V199 CarbonylContact C-O 3.53Å; V189-V199 VanDerWaalsContact CA-O 3.28Å; V189-V199 WeakPolarHBondContact CA-O 3.42Å; V189-V200 HydrophobicContact CB-CG2 4.37Å; V189-V200 HydrophobicContact CG2-CG2 3.94Å
190S97.2Very high90.9Very high8 Ų822 Ų226%0.05611%0.114CC..EExtended strand (participates in β ladder)trans-138.6124.1172.1-159.10000110.7V198 V199 P251 F253S190-V198 WeakPolarHBondContact O-CA 3.44Å; S190-V199 PolarHBondContact N-O 2.51Å; S190-V199 PolarHBondContact O-N 3.47Å; S190-P251 WeakPolarHBondContact CB-O 3.36Å; S190-F253 WeakPolarHBondContact OG-CD2 3.23Å; S190-F253 PolarHBondContact OG-N 3.42Å
191C94.9Very high91.1Very high10 Ų1021.7 Ų21.77%0.06811%0.112CC..EExtended strand (participates in β ladder)trans-84.7128172-165.90000109.1S148S148-C191 PolarHBondContact OG-N 3.36Å
192H94.3Very high91.3Very high13 Ų1321.9 Ų21.96%0.0611%0.113CC..  trans-66141.9173.5-178.2-99.2000109.7S194 E195 L197 F253 G257 Y414H192-S194 PolarHBondContact CE1-OG 2.89Å; H192-S194 VanDerWaalsContact ND1-CB 3.29Å; H192-S194 WeakPolarHBondContact ND1-CB 3.46Å; H192-S194 PolarHBondContact ND1-N 3.43Å; H192-S194 VanDerWaalsContact ND1-N 3.11Å; H192-S194 PolarHBondContact ND1-OG 2.93Å; H192-S194 PolarHBondContact O-N 3.23Å; H192-E195 WeakPolarHBondContact O-CA 3.25Å; H192-E195 PolarHBondContact O-N 2.89Å; H192-L197 HydrophobicContact CB-CB 3.74Å; H192-L197 WeakPolarHBondContact CB-O 3.21Å; H192-L197 PolarHBondContact N-O 2.85Å; H192-F253 HydrophobicContact CB-CD2 4.11Å; H192-F253 HydrophobicContact CB-CE1 4.4Å; H192-F253 HydrophobicContact CB-CE2 3.83Å; H192-F253 HydrophobicContact CB-CG 4.5Å; H192-F253 HydrophobicContact CB-CZ 3.98Å; H192-F253 AromaticContact CD2-CD1 3.63Å; H192-F253 AromaticContact CD2-CE1 3.61Å; H192-G257 WeakPolarHBondContact NE2-CA 3.25Å; H192-G257 PolarHBondContact NE2-O 3.38Å; H192-Y414 PolarHBondContact CE1-OH 2.75Å; H192-Y414 VanDerWaalsContact CE1-OH 3.3Å
193P91.1Very high91.7Very high24 Ų2422.5 Ų22.516%0.15612%0.115CC..THydrogen-bonded Turntrans-58.4-19.9-178.4-29.237000115.6A151 E195 P255A151-P193 HydrophobicContact CB-CB 4.23Å; A151-P193 WeakPolarHBondContact CB-O 3.47Å; P193-E195 VanDerWaalsContact C-N 3.25Å; P193-P255 WeakPolarHBondContact CG-O 3.28Å
194S86.5Confident91.8Very high38 Ų3821.8 Ų21.827%0.26611%0.106SC..THydrogen-bonded Turntrans-80.8-1.9172.782.90000114H192 Q196 Y414H192-S194 PolarHBondContact CE1-OG 2.89Å; H192-S194 VanDerWaalsContact ND1-CB 3.29Å; H192-S194 WeakPolarHBondContact ND1-CB 3.46Å; H192-S194 PolarHBondContact ND1-N 3.43Å; H192-S194 VanDerWaalsContact ND1-N 3.11Å; H192-S194 PolarHBondContact ND1-OG 2.93Å; H192-S194 PolarHBondContact O-N 3.23Å; S194-Q196 WeakPolarHBondContact O-CG 3.49Å; S194-Q196 PolarHBondContact O-N 3.32Å; S194-Y414 PolarHBondContact OG-OH 2.92Å
195E85Confident91.7Very high53 Ų5321.7 Ų21.725%0.24811%0.105CC..SBendtrans63.311.4179.5-41.1-165.6149.600115.3S150 S152 L155 H192 P193S150-E195 WeakPolarHBondContact CB-OE1 3.3Å; S150-E195 PolarHBondContact OG-OE1 2.78Å; S152-E195 WeakPolarHBondContact CB-OE1 2.76Å; S152-E195 PolarHBondContact N-OE1 3.02Å; S152-E195 PolarHBondContact OG-OE1 2.98Å; S152-E195 PolarHBondContact OG-OE2 3.4Å; L155-E195 HydrophobicContact CD1-CB 4.36Å; H192-E195 WeakPolarHBondContact O-CA 3.25Å; H192-E195 PolarHBondContact O-N 2.89Å; P193-E195 VanDerWaalsContact C-N 3.25Å
196Q83.4Confident91.7Very high55 Ų5516.6 Ų16.626%0.2579%0.086SC..SBendtrans-100.3-17.4-178.8-67.6-167.3-7.700113.9S194 N211 A212 L411S194-Q196 WeakPolarHBondContact O-CG 3.49Å; S194-Q196 PolarHBondContact O-N 3.32Å; Q196-N211 CarbonylContact O-C 3.58Å; Q196-N211 VanDerWaalsContact O-CA 3.29Å; Q196-N211 WeakPolarHBondContact O-CA 3.36Å; Q196-N211 PolarHBondContact O-OD1 3.1Å; Q196-A212 PolarHBondContact O-N 3.41Å; Q196-L411 VanDerWaalsContact CD-CD2 3.42Å; Q196-L411 VanDerWaalsContact OE1-CG 3.23Å
197L89.7Confident91.7Very high0 Ų016.6 Ų16.60%09%0.086CC..EExtended strand (participates in β ladder)trans-125.6138.5-179.4-64.5179000110.2H192 I209 F210 N211 M284 Y414H192-L197 HydrophobicContact CB-CB 3.74Å; H192-L197 WeakPolarHBondContact CB-O 3.21Å; H192-L197 PolarHBondContact N-O 2.85Å; L197-I209 HydrophobicContact CD2-CG2 4.16Å; L197-F210 CarbonylContact C-O 3.57Å; L197-F210 VanDerWaalsContact CA-O 3.3Å; L197-F210 WeakPolarHBondContact CA-O 3.46Å; L197-N211 HydrophobicContact CD2-CB 3.77Å; L197-M284 HydrophobicContact CD1-CE 3.68Å; L197-Y414 HydrophobicContact CD1-CD1 3.52Å; L197-Y414 HydrophobicContact CD1-CD2 4.04Å; L197-Y414 HydrophobicContact CD1-CE1 3.29Å; L197-Y414 HydrophobicContact CD1-CE2 3.82Å; L197-Y414 HydrophobicContact CD1-CG 3.89Å; L197-Y414 VanDerWaalsContact CD1-CZ 3.43Å; L197-Y414 HydrophobicContact CD2-CD2 4.25Å; L197-Y414 HydrophobicContact CD2-CE2 4.38Å; L197-Y414 HydrophobicContact CD2-CG 4.49Å; L197-Y414 HydrophobicContact CG-CD2 4.26Å; L197-Y414 HydrophobicContact CG-CE1 4.29Å; L197-Y414 HydrophobicContact CG-CE2 3.95Å
198V93.1Very high91.5Very high1 Ų116.4 Ų16.41%0.0069%0.085CC..EExtended strand (participates in β ladder)trans-124.8122.7170.1-179.40000107.6A157 L167 V189 S190 V200 F210A157-V198 HydrophobicContact CB-CG1 4.15Å; L167-V198 HydrophobicContact CD1-CG2 4.49Å; V189-V198 HydrophobicContact CG2-CG1 3.47Å; V189-V198 VanDerWaalsContact CG2-CG1 3.47Å; S190-V198 WeakPolarHBondContact O-CA 3.44Å; V198-V200 HydrophobicContact CG1-CG2 4.16Å; V198-F210 HydrophobicContact CB-CB 4.29Å; V198-F210 PolarHBondContact N-O 2.85Å; V198-F210 PolarHBondContact O-N 3.05Å
199V95Very high91.3Very high0 Ų016.5 Ų16.50%09%0.085CC..EExtended strand (participates in β ladder)trans-102.4133177.2174.20000108.8V189 S190 M207 S208 I209 P251 F253 L260V189-V199 CarbonylContact C-O 3.53Å; V189-V199 VanDerWaalsContact CA-O 3.28Å; V189-V199 WeakPolarHBondContact CA-O 3.42Å; S190-V199 PolarHBondContact N-O 2.51Å; S190-V199 PolarHBondContact O-N 3.47Å; V199-M207 HydrophobicContact CG1-CG 3.53Å; V199-M207 HydrophobicContact CG1-SD 3.37Å; V199-M207 WeakPolarHBondContact CG1-SD 3.25Å; V199-S208 CarbonylContact C-O 3.5Å; V199-S208 WeakPolarHBondContact CA-O 3.3Å; V199-I209 HydrophobicContact CG2-CG1 4.18Å; V199-P251 HydrophobicContact CG1-CB 4.43Å; V199-P251 HydrophobicContact CG1-CG 4.07Å; V199-F253 HydrophobicContact CB-CE2 4.17Å; V199-F253 HydrophobicContact CB-CZ 4.37Å; V199-F253 HydrophobicContact CG2-CE2 3.72Å; V199-F253 HydrophobicContact CG2-CZ 3.46Å; V199-F253 VanDerWaalsContact CG2-CZ 3.46Å; V199-L260 HydrophobicContact CG1-CD2 4.37Å; V199-L260 HydrophobicContact CG2-CD2 4.07Å
200V95Very high90.8Very high0 Ų016.3 Ų16.30%08%0.084CC..EExtended strand (participates in β ladder)trans-130130.3-179.4-179.10000110.4V165 G188 V189 V198 V202 M207 S208 F210V165-V200 HydrophobicContact CB-CG2 4.49Å; V165-V200 HydrophobicContact CG1-CG2 3.73Å; V165-V200 HydrophobicContact CG2-CB 4.43Å; V165-V200 HydrophobicContact CG2-CG1 4.01Å; V165-V200 HydrophobicContact CG2-CG2 3.89Å; G188-V200 CarbonylContact O-C 3.57Å; G188-V200 VanDerWaalsContact O-CA 3.23Å; G188-V200 WeakPolarHBondContact O-CA 3.2Å; V189-V200 HydrophobicContact CB-CG2 4.37Å; V189-V200 HydrophobicContact CG2-CG2 3.94Å; V198-V200 HydrophobicContact CG1-CG2 4.16Å; V200-V202 HydrophobicContact CG1-CG1 4.18Å; V200-M207 CarbonylContact O-C 3.4Å; V200-M207 WeakPolarHBondContact O-CA 3.14Å; V200-S208 PolarHBondContact N-O 3.46Å; V200-S208 PolarHBondContact O-N 2.93Å; V200-F210 HydrophobicContact CB-CE2 3.92Å; V200-F210 HydrophobicContact CG2-CD2 3.92Å; V200-F210 HydrophobicContact CG2-CE2 3.61Å
201M94.9Very high90.1Very high3 Ų316.7 Ų16.72%0.0159%0.086CC..EExtended strand (participates in β ladder)trans-87.3136.4169.3-66.1-55.6-69.800110L187 G188 M207 F239 M249 P251 V262L187-M201 PolarHBondContact N-O 2.88Å; G188-M201 PolarHBondContact O-N 2.93Å; M201-M207 HydrophobicContact SD-CB 3.67Å; M201-M207 HydrophobicContact SD-CG 3.7Å; M201-M207 HydrophobicContact SD-SD 4.06Å; M201-F239 HydrophobicContact CE-CD1 3.71Å; M201-F239 HydrophobicContact CE-CD2 4.35Å; M201-F239 HydrophobicContact CE-CE1 3.68Å; M201-F239 HydrophobicContact CE-CE2 4.33Å; M201-F239 HydrophobicContact CE-CG 4.05Å; M201-F239 HydrophobicContact CE-CZ 4.01Å; M201-M249 HydrophobicContact CB-CB 3.86Å; M201-M249 WeakPolarHBondContact CB-O 3.37Å; M201-M249 HydrophobicContact CG-CB 4.32Å; M201-M249 VanDerWaalsContact CG-O 3.25Å; M201-M249 WeakPolarHBondContact CG-O 3.38Å; M201-P251 HydrophobicContact CG-CB 4.46Å; M201-P251 HydrophobicContact CG-CG 4.03Å; M201-V262 HydrophobicContact CE-CG1 3.66Å; M201-V262 HydrophobicContact CG-CG1 4.29Å; M201-V262 HydrophobicContact SD-CG1 3.29Å; M201-V262 WeakPolarHBondContact SD-CG1 3.49Å
202V92.4Very high89.1Confident4 Ų417.5 Ų17.52%0.0249%0.093CC..EExtended strand (participates in β ladder)trans-124.7154.7177.3-58.10000112.9C181 A184 W185 V200 K204 G205 S206C181-V202 HydrophobicContact CB-CG1 4.32Å; A184-V202 HydrophobicContact CB-CB 4.07Å; A184-V202 HydrophobicContact CB-CG1 4.5Å; A184-V202 HydrophobicContact CB-CG2 4.29Å; W185-V202 CarbonylContact O-C 3.56Å; W185-V202 WeakPolarHBondContact O-CA 3.12Å; W185-V202 WeakPolarHBondContact O-CB 3.32Å; V200-V202 HydrophobicContact CG1-CG1 4.18Å; V202-K204 PolarHBondContact O-N 3.21Å; V202-K204 VanDerWaalsContact O-N 3.11Å; V202-G205 PolarHBondContact O-N 3Å; V202-S206 WeakPolarHBondContact CG2-O 3.44Å; V202-S206 WeakPolarHBondContact CG2-OG 3.36Å; V202-S206 PolarHBondContact N-O 3.08Å
203N89.3Confident88.1Confident20 Ų2019.8 Ų19.811%0.10711%0.114CC..THydrogen-bonded Turntrans-64.6-12.9-176.969.3-14.9000115.9A184 W185 L187 G205 S243A184-N203 WeakPolarHBondContact CA-OD1 3.21Å; W185-N203 HydrophobicContact CB-CB 4.2Å; W185-N203 VanDerWaalsContact CG-ND2 3.32Å; W185-N203 PolarHBondContact N-OD1 3.01Å; W185-N203 PolarHBondContact O-N 3.43Å; L187-N203 HydrophobicContact CD1-CB 3.95Å; L187-N203 HydrophobicContact CG-CB 4.36Å; N203-G205 PolarHBondContact O-N 2.98Å; N203-S243 VanDerWaalsContact CB-OG 3.25Å; N203-S243 WeakPolarHBondContact CB-OG 3.29Å
204K84.7Confident86.9Confident110 Ų11023 Ų2348%0.47813%0.13SC..THydrogen-bonded Turntrans-84.621.6177.7-61.8-61.8-175.5-179.90113.8A184 V202 S206 N241A184-K204 HydrophobicContact CB-CG 3.79Å; V202-K204 PolarHBondContact O-N 3.21Å; V202-K204 VanDerWaalsContact O-N 3.11Å; K204-S206 VanDerWaalsContact C-N 3.33Å; K204-S206 PolarHBondContact O-N 3.16Å; K204-N241 PolarHBondContact O-OD1 3.35Å
205G87.7Confident85.8Confident1 Ų126.3 Ų26.31%0.0115%0.148CC..THydrogen-bonded Turntrans60.741.2-178.800000113V202 N203 N241V202-G205 PolarHBondContact O-N 3Å; N203-G205 PolarHBondContact O-N 2.98Å; G205-N241 VanDerWaalsContact CA-OD1 3.3Å; G205-N241 WeakPolarHBondContact CA-OD1 3.44Å
206S90.8Very high85.1Confident0 Ų032.6 Ų32.60%017%0.174CC..EExtended strand (participates in β ladder)trans-136.1155.9176.456.50000111.1V202 K204 L220 N448V202-S206 WeakPolarHBondContact CG2-O 3.44Å; V202-S206 WeakPolarHBondContact CG2-OG 3.36Å; V202-S206 PolarHBondContact N-O 3.08Å; K204-S206 VanDerWaalsContact C-N 3.33Å; K204-S206 PolarHBondContact O-N 3.16Å; S206-L220 WeakPolarHBondContact CA-O 3.32Å; S206-N448 PolarHBondContact OG-ND2 3.3Å
207M92.9Very high84.7Confident0 Ų031.6 Ų31.60%017%0.171CC..EExtended strand (participates in β ladder)trans-112.9127.9171.3179.5175.871.300108.7V199 V200 M201 I209 L220 F239 L260 V262 W282V199-M207 HydrophobicContact CG1-CG 3.53Å; V199-M207 HydrophobicContact CG1-SD 3.37Å; V199-M207 WeakPolarHBondContact CG1-SD 3.25Å; V200-M207 CarbonylContact O-C 3.4Å; V200-M207 WeakPolarHBondContact O-CA 3.14Å; M201-M207 HydrophobicContact SD-CB 3.67Å; M201-M207 HydrophobicContact SD-CG 3.7Å; M201-M207 HydrophobicContact SD-SD 4.06Å; M207-I209 HydrophobicContact CE-CD1 4.27Å; M207-I209 HydrophobicContact CE-CG1 4.42Å; M207-L220 HydrophobicContact CE-CB 4.31Å; M207-L220 HydrophobicContact CE-CD1 3.59Å; M207-L220 HydrophobicContact CE-CG 4.49Å; M207-L220 PolarHBondContact N-O 2.61Å; M207-L220 PolarHBondContact O-N 2.84Å; M207-F239 HydrophobicContact CB-CE2 3.72Å; M207-F239 HydrophobicContact CB-CZ 3.97Å; M207-L260 HydrophobicContact CE-CD2 4.3Å; M207-L260 HydrophobicContact SD-CD2 4.28Å; M207-V262 HydrophobicContact CE-CG2 4.45Å; M207-V262 HydrophobicContact SD-CB 4.41Å; M207-V262 HydrophobicContact SD-CG1 3.95Å; M207-V262 HydrophobicContact SD-CG2 3.6Å; M207-V262 VanDerWaalsContact SD-CG2 3.6Å; M207-W282 HydrophobicContact CE-CH2 4.21Å; M207-W282 HydrophobicContact CE-CZ2 4.3Å; M207-W282 HydrophobicContact CE-CZ3 4.45Å
208S91.5Very high84.4Confident0 Ų032 Ų320%017%0.174CC..EExtended strand (participates in β ladder)trans-101.5137.1175.9-64.30000110.7V199 V200 C218 F450V199-S208 CarbonylContact C-O 3.5Å; V199-S208 WeakPolarHBondContact CA-O 3.3Å; V200-S208 PolarHBondContact N-O 3.46Å; V200-S208 PolarHBondContact O-N 2.93Å; S208-C218 CarbonylContact C-O 3.57Å; S208-C218 WeakPolarHBondContact CA-O 3.17Å; S208-F450 WeakPolarHBondContact OG-CE1 3.39Å; S208-F450 WeakPolarHBondContact OG-CE2 3.35Å; S208-F450 WeakPolarHBondContact OG-CZ 3.16Å
209I90.7Very high84.1Confident3 Ų332.4 Ų32.42%0.01518%0.176CC..EExtended strand (participates in β ladder)trans-118.6113.7178-57.7149.3000107.1L197 V199 M207 C218 L220 L287 I416L197-I209 HydrophobicContact CD2-CG2 4.16Å; V199-I209 HydrophobicContact CG2-CG1 4.18Å; M207-I209 HydrophobicContact CE-CD1 4.27Å; M207-I209 HydrophobicContact CE-CG1 4.42Å; I209-C218 HydrophobicContact CB-CB 4.36Å; I209-C218 HydrophobicContact CD1-CB 4.47Å; I209-C218 PolarHBondContact N-O 3Å; I209-C218 PolarHBondContact O-N 3Å; I209-L220 HydrophobicContact CD1-CD1 3.49Å; I209-L220 VanDerWaalsContact CD1-CD1 3.49Å; I209-L220 HydrophobicContact CD1-CG 3.91Å; I209-L287 HydrophobicContact CD1-CB 4.4Å; I209-L287 HydrophobicContact CD1-CD1 3.78Å; I209-L287 HydrophobicContact CG1-CD1 4.42Å; I209-L287 HydrophobicContact CG2-CD1 4.26Å; I209-I416 HydrophobicContact CG2-CD1 4.21Å
210F87.6Confident83.7Confident0 Ų032.5 Ų32.50%018%0.176CC..EExtended strand (participates in β ladder)trans-98.9131.5176.4-57.8-84.8000108.5V165 W179 L197 V198 V200 N217 F450V165-F210 HydrophobicContact CB-CE2 4.42Å; V165-F210 HydrophobicContact CG1-CD2 4.32Å; V165-F210 HydrophobicContact CG1-CE2 4.16Å; V165-F210 HydrophobicContact CG2-CE2 4.15Å; V165-F210 HydrophobicContact CG2-CZ 4.28Å; W179-F210 HydrophobicContact CB-CD1 3.84Å; W179-F210 HydrophobicContact CB-CE1 3.42Å; W179-F210 VanDerWaalsContact CB-CE1 3.42Å; W179-F210 HydrophobicContact CB-CZ 4.08Å; W179-F210 AromaticContact CD1-CD1 3.45Å; W179-F210 VanDerWaalsContact CD1-CD1 3.45Å; W179-F210 AromaticContact CD1-CE1 3.78Å; W179-F210 HydrophobicContact CD2-CB 4.26Å; W179-F210 AromaticContact CD2-CD1 3.53Å; W179-F210 HydrophobicContact CD2-CD1 3.53Å; W179-F210 HydrophobicContact CD2-CE1 4.1Å; W179-F210 AromaticContact CD2-CG 3.98Å; W179-F210 HydrophobicContact CD2-CG 3.98Å; W179-F210 AromaticContact CE2-CD1 3.73Å; W179-F210 HydrophobicContact CE3-CD1 4.25Å; W179-F210 HydrophobicContact CE3-CG 4.31Å; W179-F210 AromaticContact CG-CD1 3.33Å; W179-F210 HydrophobicContact CG-CD1 3.33Å; W179-F210 AromaticContact CG-CE1 3.48Å; W179-F210 HydrophobicContact CG-CE1 3.48Å; W179-F210 VanDerWaalsContact CG-CE1 3.48Å; W179-F210 HydrophobicContact CG-CG 4.23Å; W179-F210 HydrophobicContact CG-CZ 4.44Å; W179-F210 HydrophobicContact CH2-CB 4.2Å; W179-F210 HydrophobicContact CZ2-CB 3.91Å; W179-F210 AromaticContact NE1-CD1 3.66Å; L197-F210 CarbonylContact C-O 3.57Å; L197-F210 VanDerWaalsContact CA-O 3.3Å; L197-F210 WeakPolarHBondContact CA-O 3.46Å; V198-F210 HydrophobicContact CB-CB 4.29Å; V198-F210 PolarHBondContact N-O 2.85Å; V198-F210 PolarHBondContact O-N 3.05Å; V200-F210 HydrophobicContact CB-CE2 3.92Å; V200-F210 HydrophobicContact CG2-CD2 3.92Å; V200-F210 HydrophobicContact CG2-CE2 3.61Å; F210-N217 HydrophobicContact CD1-CB 3.98Å; F210-N217 VanDerWaalsContact CD1-OD1 3.22Å; F210-N217 WeakPolarHBondContact CD1-OD1 3.24Å; F210-N217 HydrophobicContact CE1-CB 4.12Å; F210-F450 HydrophobicContact CE1-CD1 4.28Å; F210-F450 HydrophobicContact CZ-CD1 4.15Å; F210-F450 AromaticContact CZ-CE1 3.96Å; F210-F450 HydrophobicContact CZ-CE1 3.96Å
211N82.8Confident83.3Confident16 Ų1634 Ų349%0.08618%0.183CC..EExtended strand (participates in β ladder)trans-106.3120.2174.3-176.8-23.6000109.1Q196 L197 A213 N214Q196-N211 CarbonylContact O-C 3.58Å; Q196-N211 VanDerWaalsContact O-CA 3.29Å; Q196-N211 WeakPolarHBondContact O-CA 3.36Å; Q196-N211 PolarHBondContact O-OD1 3.1Å; L197-N211 HydrophobicContact CD2-CB 3.77Å; N211-A213 PolarHBondContact O-N 3.31Å; N211-A213 VanDerWaalsContact O-N 3.08Å; N211-A213 WeakPolarHBondContact OD1-CB 2.97Å; N211-A213 PolarHBondContact OD1-N 3.25Å; N211-N214 HydrophobicContact CB-CB 4.12Å; N211-N214 PolarHBondContact O-N 3.18Å; N211-N214 VanDerWaalsContact O-N 3.16Å
212A73Confident82.9Confident26 Ų2638.2 Ų38.222%0.21520%0.199CC..SBendtrans-67.7-4179.100000113.8R177 Q196R177-A212 VanDerWaalsContact CZ-C 3.46Å; R177-A212 PolarHBondContact NE-O 3.11Å; R177-A212 VanDerWaalsContact NE-O 3.07Å; R177-A212 VanDerWaalsContact NH2-C 3.26Å; R177-A212 PolarHBondContact NH2-O 2.94Å; Q196-A212 PolarHBondContact O-N 3.41Å
213A72.4Confident82.5Confident61 Ų6138.1 Ų38.150%0.50420%0.198SC..SBendtrans-101.2-33.8169.100000113N211N211-A213 PolarHBondContact O-N 3.31Å; N211-A213 VanDerWaalsContact O-N 3.08Å; N211-A213 WeakPolarHBondContact OD1-CB 2.97Å; N211-A213 PolarHBondContact OD1-N 3.25Å
214N66.7Low82.1Confident92 Ų9238.7 Ų38.749%0.49220%0.201SC..  trans-105.6142.6-173.6-69.5-16000112.4N211 K216N211-N214 HydrophobicContact CB-CB 4.12Å; N211-N214 PolarHBondContact O-N 3.18Å; N211-N214 VanDerWaalsContact O-N 3.16Å; N214-K216 VanDerWaalsContact C-N 3.28Å
215V64.2Low81.9Confident107 Ų10734 Ų3465%0.64818%0.181SC*.SBendtrans-72.3-25.5174.1177.50000111.7N217 E452V215-N217 PolarHBondContact O-N 3.06Å; V215-E452 WeakPolarHBondContact CG1-OE2 3.36Å
216K68.7Low81.2Confident185 Ų18537.5 Ų37.580%0.80420%0.204SC*.  trans-82.3118.1-179.9-66.9-169.2178.5-172.40110.7N214N214-K216 VanDerWaalsContact C-N 3.28Å
217N76.2Confident80.1Confident35 Ų3538 Ų3819%0.18721%0.207CC..  trans-87.4153.8170.8-51.9-39.5000109.4F210 V215F210-N217 HydrophobicContact CD1-CB 3.98Å; F210-N217 VanDerWaalsContact CD1-OD1 3.22Å; F210-N217 WeakPolarHBondContact CD1-OD1 3.24Å; F210-N217 HydrophobicContact CE1-CB 4.12Å; V215-N217 PolarHBondContact O-N 3.06Å
218C83.1Confident78.7Confident8 Ų841.9 Ų41.95%0.05425%0.246CC..EExtended strand (participates in β ladder)trans-111.4140.1172.5173.80000110.7S208 I209 I416S208-C218 CarbonylContact C-O 3.57Å; S208-C218 WeakPolarHBondContact CA-O 3.17Å; I209-C218 HydrophobicContact CB-CB 4.36Å; I209-C218 HydrophobicContact CD1-CB 4.47Å; I209-C218 PolarHBondContact N-O 3Å; I209-C218 PolarHBondContact O-N 3Å; C218-I416 HydrophobicContact CB-CD1 4.38Å; C218-I416 HydrophobicContact CB-CG2 3.4Å; C218-I416 VanDerWaalsContact CB-CG2 3.4Å; C218-I416 WeakPolarHBondContact SG-CG2 3.4Å
219V85.8Confident77.1Confident9 Ų946.6 Ų46.66%0.05528%0.275CS..EExtended strand (participates in β ladder)trans-113.8117.9173-174.20000108.6F450V219-F450 HydrophobicContact CB-CE2 4.49Å; V219-F450 HydrophobicContact CG1-CE2 4.35Å; V219-F450 HydrophobicContact CG2-CD2 3.51Å; V219-F450 HydrophobicContact CG2-CE2 3.31Å; V219-F450 HydrophobicContact CG2-CZ 4.29Å
220L87.9Confident75.9Confident2 Ų250.9 Ų50.91%0.0130%0.298CS..EExtended strand (participates in β ladder)trans-99.5107.7172.3-68.2178.9000109.4S206 M207 I209 L287S206-L220 WeakPolarHBondContact CA-O 3.32Å; M207-L220 HydrophobicContact CE-CB 4.31Å; M207-L220 HydrophobicContact CE-CD1 3.59Å; M207-L220 HydrophobicContact CE-CG 4.49Å; M207-L220 PolarHBondContact N-O 2.61Å; M207-L220 PolarHBondContact O-N 2.84Å; I209-L220 HydrophobicContact CD1-CD1 3.49Å; I209-L220 VanDerWaalsContact CD1-CD1 3.49Å; I209-L220 HydrophobicContact CD1-CG 3.91Å; L220-L287 HydrophobicContact CD1-CB 4.41Å; L220-L287 WeakPolarHBondContact CD1-O 3.28Å
221K85.7Confident74.9Confident31 Ų3159.1 Ų59.114%0.13534%0.336CS..  trans-116.4-33.5176.1-170.7176.2-177.3177.70111.5T237 L238 E447K221-T237 WeakPolarHBondContact O-CA 3.41Å; K221-L238 PolarHBondContact O-N 3.24Å; K221-E447 IonicContact NZ-OE2 3.03Å; K221-E447 PolarHBondContact NZ-OE2 2.89Å
222R86.5Confident74.4Confident93 Ų9364.5 Ų64.535%0.35136%0.359SS..EExtended strand (participates in β ladder)trans-136.2139.7-175.5-64.9173.1171.7142.9-12.4111K235 R236 T237 D445R222-K235 HydrophobicContact CB-CG 4Å; R222-R236 WeakPolarHBondContact CA-O 3.38Å; R222-T237 HydrophobicContact CG-CG2 3.87Å; R222-D445 IonicContact CZ-OD2 3.78Å; R222-D445 IonicContact NH1-OD2 2.85Å; R222-D445 PolarHBondContact NH1-OD2 3.26Å
223C84.6Confident74.6Confident1 Ų166.3 Ų66.31%0.00737%0.365CS..EExtended strand (participates in β ladder)trans-137.7164.1170.8-71.20000109.9L225 K235 R236 L238 R288C223-L225 PolarHBondContact O-N 3.49Å; C223-K235 WeakPolarHBondContact O-CA 3.35Å; C223-R236 PolarHBondContact N-O 2.84Å; C223-R236 VanDerWaalsContact N-O 3.14Å; C223-R236 PolarHBondContact O-N 3.45Å; C223-L238 HydrophobicContact CB-CD1 4.38Å; C223-L238 HydrophobicContact CB-CD2 3.89Å; C223-L238 HydrophobicContact CB-CG 4.29Å; C223-R288 PolarHBondContact SG-O 2.99Å
224L81.1Confident75Confident32 Ų3267.9 Ų67.917%0.16836%0.362CS..EExtended strand (participates in β ladder)trans-66.2115.9166.1-67.6177.6000108.9L233 E234 K235 T289 S440L224-L233 HydrophobicContact CB-CB 4.23Å; L224-L233 HydrophobicContact CB-CD1 4.48Å; L224-L233 HydrophobicContact CD2-CB 4.41Å; L224-E234 WeakPolarHBondContact CA-O 3.3Å; L224-K235 HydrophobicContact CD2-CB 4.33Å; L224-T289 HydrophobicContact CB-CG2 4.49Å; L224-S440 WeakPolarHBondContact CD1-O 3.4Å
225L80.3Confident75.7Confident13 Ų1367.7 Ų67.77%0.06836%0.356CS..EExtended strand (participates in β ladder)trans-119.4145.1174.3-67.9-179.6000109.8C223 T227 L233 E234 R236 L238 Y280 I293C223-L225 PolarHBondContact O-N 3.49Å; L225-T227 PolarHBondContact O-N 3.41Å; L225-L233 WeakPolarHBondContact O-CA 3.39Å; L225-E234 PolarHBondContact N-O 3.24Å; L225-E234 PolarHBondContact O-N 2.8Å; L225-R236 HydrophobicContact CD1-CB 4.25Å; L225-L238 HydrophobicContact CD1-CD2 4.09Å; L225-L238 HydrophobicContact CD2-CD2 4.25Å; L225-L238 HydrophobicContact CG-CD2 4.33Å; L225-Y280 HydrophobicContact CD2-CE1 4.39Å; L225-I293 HydrophobicContact CD2-CD1 4.06Å
226P72.4Confident76.7Confident74 Ų7465.4 Ų65.448%0.48134%0.336SS..EExtended strand (participates in β ladder)trans-65.2134.7176.126.1-32.4000111.1L233P226-L233 HydrophobicContact CB-CD2 4.2Å
227T68Low77.6Confident10 Ų1058.4 Ų58.46%0.06131%0.309CS..  trans-86.6135.2168.561.30000109.8L225 V229 H231 K232 E234L225-T227 PolarHBondContact O-N 3.41Å; T227-V229 PolarHBondContact O-N 3.21Å; T227-H231 PolarHBondContact O-N 3.21Å; T227-K232 WeakPolarHBondContact CB-O 3.4Å; T227-K232 WeakPolarHBondContact CG2-O 3.43Å; T227-K232 PolarHBondContact N-O 3.15Å; T227-K232 PolarHBondContact OG1-O 2.9Å; T227-E234 HydrophobicContact CG2-CB 3.79Å; T227-E234 HydrophobicContact CG2-CG 3.52Å; T227-E234 WeakPolarHBondContact CG2-OE2 3.44Å
228G62.6Low78.3Confident81 Ų8156.8 Ų56.884%0.83530%0.3SS*.THydrogen-bonded Turntrans-71.16.5-179.400000115.3
229V59.9Low78.8Confident100 Ų10056.4 Ų56.461%0.60630%0.297SS*.THydrogen-bonded Turntrans-101.8-37.9-175.8-173.20000111.9T227T227-V229 PolarHBondContact O-N 3.21Å
230D64.1Low78.9Confident92 Ų9256.7 Ų56.749%0.49230%0.299SS..THydrogen-bonded Turntrans-143.513.8-174.9-72.3-25.9000114.2K232D230-K232 HydrophobicContact CB-CB 4.42Å; D230-K232 HydrophobicContact CB-CD 3.94Å; D230-K232 HydrophobicContact CB-CG 3.86Å; D230-K232 PolarHBondContact O-N 3.27Å; D230-K232 IonicContact OD2-NZ 3.77Å; D230-K232 PolarHBondContact OD2-NZ 2.83Å
231H66.6Low78.8Confident173 Ų17360.6 Ų60.680%0.80132%0.32SS*.SBendtrans56.87.3-165.7-55.9-77.4000114.9T227 L233T227-H231 PolarHBondContact O-N 3.21Å; H231-L233 PolarHBondContact O-N 2.69Å
232K73.3Confident78.4Confident130 Ų13063 Ų6357%0.56533%0.334SS*.  trans-62.5133.8174.3-73.8173.6-177.2149.30109.6T227 D230T227-K232 WeakPolarHBondContact CB-O 3.4Å; T227-K232 WeakPolarHBondContact CG2-O 3.43Å; T227-K232 PolarHBondContact N-O 3.15Å; T227-K232 PolarHBondContact OG1-O 2.9Å; D230-K232 HydrophobicContact CB-CB 4.42Å; D230-K232 HydrophobicContact CB-CD 3.94Å; D230-K232 HydrophobicContact CB-CG 3.86Å; D230-K232 PolarHBondContact O-N 3.27Å; D230-K232 IonicContact OD2-NZ 3.77Å; D230-K232 PolarHBondContact OD2-NZ 2.83Å
233L76.8Confident77.5Confident64 Ų6459.5 Ų59.534%0.33532%0.324SS..EExtended strand (participates in β ladder)trans-82.6126.6174.5-65.5176.8000109.6L224 L225 P226 H231 M436L224-L233 HydrophobicContact CB-CB 4.23Å; L224-L233 HydrophobicContact CB-CD1 4.48Å; L224-L233 HydrophobicContact CD2-CB 4.41Å; L225-L233 WeakPolarHBondContact O-CA 3.39Å; P226-L233 HydrophobicContact CB-CD2 4.2Å; H231-L233 PolarHBondContact O-N 2.69Å; L233-M436 HydrophobicContact CD1-SD 4.25Å
234E79.8Confident76.4Confident94 Ų9463.3 Ų63.344%0.43935%0.351SS..EExtended strand (participates in β ladder)trans-120.3142.9173.9-77.9-177.6174.700110.8L224 L225 T227 R236L224-E234 WeakPolarHBondContact CA-O 3.3Å; L225-E234 PolarHBondContact N-O 3.24Å; L225-E234 PolarHBondContact O-N 2.8Å; T227-E234 HydrophobicContact CG2-CB 3.79Å; T227-E234 HydrophobicContact CG2-CG 3.52Å; T227-E234 WeakPolarHBondContact CG2-OE2 3.44Å; E234-R236 HydrophobicContact CB-CG 4.12Å; E234-R236 PolarHBondContact O-N 3.2Å; E234-R236 VanDerWaalsContact O-N 3.11Å; E234-R236 IonicContact OE2-CZ 3.21Å; E234-R236 VanDerWaalsContact OE2-CZ 3.32Å; E234-R236 IonicContact OE2-NE 3.31Å; E234-R236 PolarHBondContact OE2-NE 2.68Å; E234-R236 IonicContact OE2-NH2 3.95Å; E234-R236 PolarHBondContact OE2-NH2 2.71Å
235K82.3Confident75.6Confident87 Ų8768.9 Ų68.938%0.37837%0.374SS..EExtended strand (participates in β ladder)trans-72.3105.1173.3-170.6167.8-173.71600109.8R222 C223 L224 D441 S443R222-K235 HydrophobicContact CB-CG 4Å; C223-K235 WeakPolarHBondContact O-CA 3.35Å; L224-K235 HydrophobicContact CD2-CB 4.33Å; K235-D441 PolarHBondContact NZ-O 3.49Å; K235-S443 WeakPolarHBondContact CE-OG 3.48Å; K235-S443 PolarHBondContact NZ-OG 2.63Å
236R84.4Confident74.7Confident60 Ų6068.9 Ų68.923%0.22638%0.375CS..EExtended strand (participates in β ladder)trans-122151.3-175.5-69.7-178.4174-160-5.9110.8R222 C223 L225 E234 L238 C268R222-R236 WeakPolarHBondContact CA-O 3.38Å; C223-R236 PolarHBondContact N-O 2.84Å; C223-R236 VanDerWaalsContact N-O 3.14Å; C223-R236 PolarHBondContact O-N 3.45Å; L225-R236 HydrophobicContact CD1-CB 4.25Å; E234-R236 HydrophobicContact CB-CG 4.12Å; E234-R236 PolarHBondContact O-N 3.2Å; E234-R236 VanDerWaalsContact O-N 3.11Å; E234-R236 IonicContact OE2-CZ 3.21Å; E234-R236 VanDerWaalsContact OE2-CZ 3.32Å; E234-R236 IonicContact OE2-NE 3.31Å; E234-R236 PolarHBondContact OE2-NE 2.68Å; E234-R236 IonicContact OE2-NH2 3.95Å; E234-R236 PolarHBondContact OE2-NH2 2.71Å; R236-L238 PolarHBondContact O-N 3.08Å; R236-C268 PolarHBondContact NH1-O 3.24Å
237T89Confident74.8Confident38 Ų3870.4 Ų70.423%0.23338%0.375CS..EExtended strand (participates in β ladder)trans-67.4129.4172.251.30000109.9K221 R222 K266K221-T237 WeakPolarHBondContact O-CA 3.41Å; R222-T237 HydrophobicContact CG-CG2 3.87Å; T237-K266 VanDerWaalsContact O-CE 3.31Å; T237-K266 WeakPolarHBondContact O-CE 3.43Å; T237-K266 WeakPolarHBondContact OG1-CE 3.04Å; T237-K266 PolarHBondContact OG1-NZ 3.17Å
238L90.7Very high75.8Confident0 Ų070.9 Ų70.90%038%0.376CS..  trans-74.3-48.6-175.2-72.4178.2000112.2K221 C223 L225 R236 G265 K266 Y280 W282 P290K221-L238 PolarHBondContact O-N 3.24Å; C223-L238 HydrophobicContact CB-CD1 4.38Å; C223-L238 HydrophobicContact CB-CD2 3.89Å; C223-L238 HydrophobicContact CB-CG 4.29Å; L225-L238 HydrophobicContact CD1-CD2 4.09Å; L225-L238 HydrophobicContact CD2-CD2 4.25Å; L225-L238 HydrophobicContact CG-CD2 4.33Å; R236-L238 PolarHBondContact O-N 3.08Å; L238-G265 CarbonylContact O-C 3.45Å; L238-G265 WeakPolarHBondContact O-CA 3.21Å; L238-K266 WeakPolarHBondContact O-CG 3.16Å; L238-K266 PolarHBondContact O-N 3.44Å; L238-Y280 HydrophobicContact CB-CE2 3.82Å; L238-Y280 HydrophobicContact CD2-CD2 4.4Å; L238-Y280 HydrophobicContact CD2-CE1 4.38Å; L238-Y280 HydrophobicContact CD2-CE2 3.85Å; L238-Y280 HydrophobicContact CG-CE2 4.4Å; L238-Y280 VanDerWaalsContact O-CE2 3.26Å; L238-Y280 WeakPolarHBondContact O-CE2 3.28Å; L238-Y280 PolarHBondContact O-OH 2.96Å; L238-Y280 VanDerWaalsContact O-OH 3.06Å; L238-W282 HydrophobicContact CD1-CH2 4.37Å; L238-W282 HydrophobicContact CD1-CZ2 4.1Å; L238-P290 HydrophobicContact CD2-CG 4.37Å
239F92.1Very high77.4Confident0 Ų067.1 Ų67.10%034%0.336CS..BIsolated β-bridgetrans-107.4155.6-167.3-51.9-72.9000111.4M201 M207 V262 N264 K266 Y280 W282M201-F239 HydrophobicContact CE-CD1 3.71Å; M201-F239 HydrophobicContact CE-CD2 4.35Å; M201-F239 HydrophobicContact CE-CE1 3.68Å; M201-F239 HydrophobicContact CE-CE2 4.33Å; M201-F239 HydrophobicContact CE-CG 4.05Å; M201-F239 HydrophobicContact CE-CZ 4.01Å; M207-F239 HydrophobicContact CB-CE2 3.72Å; M207-F239 HydrophobicContact CB-CZ 3.97Å; F239-V262 HydrophobicContact CE1-CB 4.43Å; F239-V262 HydrophobicContact CE1-CG1 3.63Å; F239-V262 HydrophobicContact CZ-CG1 3.93Å; F239-N264 WeakPolarHBondContact CA-O 3.2Å; F239-K266 VanDerWaalsContact O-CE 3.23Å; F239-K266 WeakPolarHBondContact O-CE 3.33Å; F239-K266 PolarHBondContact O-NZ 3Å; F239-Y280 HydrophobicContact CD1-CD2 4.41Å; F239-Y280 HydrophobicContact CD1-CE2 4.38Å; F239-Y280 AromaticContact CE1-CD2 3.83Å; F239-Y280 HydrophobicContact CE1-CD2 3.83Å; F239-Y280 HydrophobicContact CE1-CE2 4.2Å; F239-Y280 HydrophobicContact CZ-CD2 4.4Å; F239-W282 HydrophobicContact CZ-CH2 4.16Å
240D89.5Confident79.1Confident16 Ų1662.5 Ų62.59%0.08631%0.309CS..  trans-74.1138.4168.3-174.624.9000111D242 N264 K266 F275 Y277 R299D240-D242 PolarHBondContact OD1-N 2.83Å; D240-N264 PolarHBondContact N-O 3.36Å; D240-N264 PolarHBondContact O-ND2 3.19Å; D240-K266 HydrophobicContact CB-CD 4.44Å; D240-F275 HydrophobicContact CB-CE2 4.46Å; D240-F275 HydrophobicContact CB-CZ 4.43Å; D240-Y277 HydrophobicContact CB-CE1 4.4Å; D240-R299 IonicContact OD2-CZ 3.39Å; D240-R299 IonicContact OD2-NH1 2.81Å; D240-R299 PolarHBondContact OD2-NH1 2.81Å; D240-R299 IonicContact OD2-NH2 2.86Å; D240-R299 PolarHBondContact OD2-NH2 3.45Å
241N84.5Confident80.7Confident84 Ų8458.3 Ų58.345%0.44929%0.287SS..SBendtrans-88.2-19-179.1-68.1-10.5000111.9K204 G205 S243K204-N241 PolarHBondContact O-OD1 3.35Å; G205-N241 VanDerWaalsContact CA-OD1 3.3Å; G205-N241 WeakPolarHBondContact CA-OD1 3.44Å; N241-S243 PolarHBondContact O-N 3.16Å; N241-S243 VanDerWaalsContact O-N 3.1Å
242D78.3Confident82.2Confident80 Ų8050.7 Ų50.743%0.42825%0.253SS..  trans-78.893.8176.5-175.411.3000110D240 S244 R299D240-D242 PolarHBondContact OD1-N 2.83Å; D242-S244 WeakPolarHBondContact OD1-CB 3.14Å; D242-S244 PolarHBondContact OD1-N 2.88Å; D242-S244 PolarHBondContact OD1-OG 3.23Å; D242-R299 PolarHBondContact O-NH1 2.97Å; D242-R299 PolarHBondContact O-NH2 3.25Å
243S67.2Low83.3Confident21 Ų2145 Ų4515%0.14723%0.228CC..  trans-98.212.3172.780.80000112.7N203 N241 K245 A246N203-S243 VanDerWaalsContact CB-OG 3.25Å; N203-S243 WeakPolarHBondContact CB-OG 3.29Å; N241-S243 PolarHBondContact O-N 3.16Å; N241-S243 VanDerWaalsContact O-N 3.1Å; S243-K245 PolarHBondContact O-N 2.82Å; S243-A246 PolarHBondContact O-N 2.96Å
244S62.4Low84.3Confident81 Ų8142 Ų4257%0.56621%0.212SC*.THydrogen-bonded Turntrans-57.8-25-169.458.80000113.9D242D242-S244 WeakPolarHBondContact OD1-CB 3.14Å; D242-S244 PolarHBondContact OD1-N 2.88Å; D242-S244 PolarHBondContact OD1-OG 3.23Å
245K64Low85Confident149 Ų14939.2 Ų39.265%0.64820%0.202SC*.THydrogen-bonded Turntrans-102.7-10.7-179.3-60-172.7179.6-174.70115S243S243-K245 PolarHBondContact O-N 2.82Å
246A61.7Low85.4Confident12 Ų1235.2 Ų35.210%0.09919%0.185CC..  trans-105.2115.5-170.800000112.3S243 K248 M249S243-A246 PolarHBondContact O-N 2.96Å; A246-K248 VanDerWaalsContact C-N 3.34Å; A246-M249 HydrophobicContact CB-CE 3.23Å
247F73.8Confident85.9Confident107 Ų10732.4 Ų32.447%0.46918%0.175SC..SBendtrans-81.7-16.7175-56.8-83.1000112.8M161 M376M161-F247 HydrophobicContact CE-CB 4.41Å; M161-F247 HydrophobicContact CE-CD1 4.4Å; F247-M376 HydrophobicContact CE2-CE 4.31Å
248K90Very high86Confident19 Ų1932.8 Ų32.88%0.08318%0.176CC..  trans-149.7140.5-172.1-172.5176.9-175.1176.10111.9I70 L187 A246 S250 D361I70-K248 VanDerWaalsContact CD1-NZ 3.26Å; L187-K248 CarbonylContact O-C 3.51Å; L187-K248 WeakPolarHBondContact O-CA 3.41Å; A246-K248 VanDerWaalsContact C-N 3.34Å; K248-S250 WeakPolarHBondContact CE-OG 2.95Å; K248-S250 WeakPolarHBondContact CG-OG 3.36Å; K248-D361 IonicContact NZ-OD1 2.92Å; K248-D361 PolarHBondContact NZ-OD1 3.16Å; K248-D361 IonicContact NZ-OD2 3.41Å; K248-D361 PolarHBondContact NZ-OD2 2.89Å
249M94.2Very high86.3Confident2 Ų232.9 Ų32.91%0.0118%0.176CC..  trans-141.770178-72.5-66.5158.900110.6L187 G188 M201 A246 P251 P263 N264 R299 I301L187-M249 HydrophobicContact CB-CB 3.73Å; L187-M249 HydrophobicContact CB-CG 4.08Å; L187-M249 HydrophobicContact CD1-CB 4.38Å; L187-M249 HydrophobicContact CD1-CG 3.91Å; L187-M249 PolarHBondContact O-N 3.01Å; G188-M249 VanDerWaalsContact CA-O 3.3Å; G188-M249 WeakPolarHBondContact CA-O 3.29Å; M201-M249 HydrophobicContact CB-CB 3.86Å; M201-M249 WeakPolarHBondContact CB-O 3.37Å; M201-M249 HydrophobicContact CG-CB 4.32Å; M201-M249 VanDerWaalsContact CG-O 3.25Å; M201-M249 WeakPolarHBondContact CG-O 3.38Å; A246-M249 HydrophobicContact CB-CE 3.23Å; M249-P251 WeakPolarHBondContact O-CD 2.85Å; M249-P263 HydrophobicContact SD-CG 4.43Å; M249-N264 HydrophobicContact CE-CB 4.25Å; M249-N264 HydrophobicContact SD-CB 3.5Å; M249-N264 VanDerWaalsContact SD-CB 3.5Å; M249-R299 HydrophobicContact CE-CG 4.09Å; M249-I301 CarbonylContact C-O 3.53Å; M249-I301 WeakPolarHBondContact CA-O 3.45Å; M249-I301 HydrophobicContact CE-CB 4.22Å; M249-I301 HydrophobicContact CE-CG2 3.75Å
250S96.3Very high86.5Confident4 Ų432.9 Ų32.93%0.02818%0.176CC..BIsolated β-bridgetrans-82.5110.1-170.8-63.80000112.6D146 K248 I301 V303D146-S250 VanDerWaalsContact CG-OG 3.23Å; D146-S250 WeakPolarHBondContact OD2-CB 3.31Å; D146-S250 PolarHBondContact OD2-OG 3.02Å; K248-S250 WeakPolarHBondContact CE-OG 2.95Å; K248-S250 WeakPolarHBondContact CG-OG 3.36Å; S250-I301 PolarHBondContact N-O 3.43Å; S250-V303 PolarHBondContact O-N 3.2Å
251P97.8Very high86.9Confident4 Ų432.1 Ų32.13%0.02617%0.172CC..  trans-73.9162.3165.533.4-30.9000109.9S190 V199 M201 M249 L260 V261 V262S190-P251 WeakPolarHBondContact CB-O 3.36Å; V199-P251 HydrophobicContact CG1-CB 4.43Å; V199-P251 HydrophobicContact CG1-CG 4.07Å; M201-P251 HydrophobicContact CG-CB 4.46Å; M201-P251 HydrophobicContact CG-CG 4.03Å; M249-P251 WeakPolarHBondContact O-CD 2.85Å; P251-L260 HydrophobicContact CB-CD1 4.28Å; P251-V261 WeakPolarHBondContact CA-O 3.33Å; P251-V262 HydrophobicContact CB-CG1 4.4Å; P251-V262 HydrophobicContact CB-CG2 4.25Å
252S98Very high87.5Confident13 Ų1328.1 Ų28.19%0.09115%0.15CC..EExtended strand (participates in β ladder)trans-141.4131.3173.4-166.80000111.3V261 V303 F305S252-V261 PolarHBondContact N-O 2.79Å; S252-V261 PolarHBondContact O-N 3.01Å; S252-V303 WeakPolarHBondContact CB-O 3.48Å; S252-F305 WeakPolarHBondContact O-CE2 3.06Å
253F97.5Very high88.4Confident10 Ų1024.3 Ų24.34%0.04413%0.13CC..EExtended strand (participates in β ladder)trans-72.6150.9158.5-70.8-75.5000110.5S190 H192 V199 I259 L260 M284 F305S190-F253 WeakPolarHBondContact OG-CD2 3.23Å; S190-F253 PolarHBondContact OG-N 3.42Å; H192-F253 HydrophobicContact CB-CD2 4.11Å; H192-F253 HydrophobicContact CB-CE1 4.4Å; H192-F253 HydrophobicContact CB-CE2 3.83Å; H192-F253 HydrophobicContact CB-CG 4.5Å; H192-F253 HydrophobicContact CB-CZ 3.98Å; H192-F253 AromaticContact CD2-CD1 3.63Å; H192-F253 AromaticContact CD2-CE1 3.61Å; V199-F253 HydrophobicContact CB-CE2 4.17Å; V199-F253 HydrophobicContact CB-CZ 4.37Å; V199-F253 HydrophobicContact CG2-CE2 3.72Å; V199-F253 HydrophobicContact CG2-CZ 3.46Å; V199-F253 VanDerWaalsContact CG2-CZ 3.46Å; F253-I259 CarbonylContact C-O 3.54Å; F253-I259 VanDerWaalsContact CA-O 3.29Å; F253-I259 WeakPolarHBondContact CA-O 3.3Å; F253-L260 HydrophobicContact CD1-CB 3.84Å; F253-L260 HydrophobicContact CD1-CD1 3.93Å; F253-L260 HydrophobicContact CD1-CG 4.4Å; F253-L260 HydrophobicContact CD2-CD1 4.25Å; F253-L260 HydrophobicContact CE1-CB 3.71Å; F253-L260 HydrophobicContact CE1-CD1 3.82Å; F253-L260 HydrophobicContact CE1-CD2 4.14Å; F253-L260 HydrophobicContact CE1-CG 4.08Å; F253-L260 HydrophobicContact CE2-CD1 4.14Å; F253-L260 HydrophobicContact CG-CD1 4.16Å; F253-L260 HydrophobicContact CZ-CD1 3.94Å; F253-L260 HydrophobicContact CZ-CD2 4.25Å; F253-L260 HydrophobicContact CZ-CG 4.46Å; F253-M284 HydrophobicContact CE1-CE 3.97Å; F253-M284 HydrophobicContact CE1-CG 4.25Å; F253-M284 HydrophobicContact CE1-SD 4Å; F253-F305 WeakPolarHBondContact O-CD2 3.39Å
254S96.3Very high89.7Confident1 Ų123.6 Ų23.61%0.00712%0.124CC..  trans-65.5157.5162.853.40000110.6D256 G257 N258 I259S254-D256 VanDerWaalsContact CB-OD1 3.25Å; S254-D256 WeakPolarHBondContact CB-OD1 3.45Å; S254-D256 PolarHBondContact O-N 3.38Å; S254-D256 PolarHBondContact OG-OD1 2.8Å; S254-G257 WeakPolarHBondContact O-CA 3.39Å; S254-G257 PolarHBondContact O-N 3.29Å; S254-G257 PolarHBondContact OG-N 3.32Å; S254-N258 PolarHBondContact OG-N 3.48Å; S254-I259 PolarHBondContact N-O 3.13Å; S254-I259 PolarHBondContact OG-N 3.39Å; S254-I259 PolarHBondContact OG-O 3.37Å
255P94.3Very high91.1Very high36 Ų3619.7 Ų19.723%0.23410%0.098CC..THydrogen-bonded Turntrans-56.4-33.4179.3-27.436000113.9P193 G257 F305 F327 W399 K403P193-P255 WeakPolarHBondContact CG-O 3.28Å; P255-G257 VanDerWaalsContact C-N 3.35Å; P255-F305 HydrophobicContact CG-CB 4.48Å; P255-F327 HydrophobicContact CB-CE1 4.03Å; P255-F327 HydrophobicContact CB-CZ 4.11Å; P255-F327 HydrophobicContact CG-CD1 4.04Å; P255-F327 HydrophobicContact CG-CE1 3.73Å; P255-F327 HydrophobicContact CG-CZ 4.17Å; P255-W399 HydrophobicContact CB-CH2 4.17Å; P255-W399 HydrophobicContact CB-CZ2 4.14Å; P255-K403 PolarHBondContact O-NZ 2.84Å
256D92.5Very high92.4Very high3 Ų313.7 Ų13.72%0.0167%0.071CC..THydrogen-bonded Turntrans-80.6-12.2175.171.4-12.7000113.5S254 N258 Y325 F327 W399 K403S254-D256 VanDerWaalsContact CB-OD1 3.25Å; S254-D256 WeakPolarHBondContact CB-OD1 3.45Å; S254-D256 PolarHBondContact O-N 3.38Å; S254-D256 PolarHBondContact OG-OD1 2.8Å; D256-N258 PolarHBondContact O-N 3.28Å; D256-N258 PolarHBondContact OD1-N 2.95Å; D256-N258 WeakPolarHBondContact OD2-CB 3.16Å; D256-N258 PolarHBondContact OD2-ND2 3.49Å; D256-Y325 WeakPolarHBondContact OD2-CE2 3.43Å; D256-Y325 PolarHBondContact OD2-OH 2.84Å; D256-F327 HydrophobicContact CB-CE2 4.06Å; D256-F327 HydrophobicContact CB-CZ 4.11Å; D256-F327 VanDerWaalsContact CG-CE2 3.46Å; D256-W399 HydrophobicContact CB-CB 4.5Å; D256-W399 HydrophobicContact CB-CD2 3.63Å; D256-W399 HydrophobicContact CB-CE3 3.58Å; D256-W399 HydrophobicContact CB-CG 4.05Å; D256-W399 HydrophobicContact CB-CH2 4.45Å; D256-W399 HydrophobicContact CB-CZ2 4.49Å; D256-W399 HydrophobicContact CB-CZ3 4.03Å; D256-K403 VanDerWaalsContact C-NZ 3.31Å; D256-K403 WeakPolarHBondContact O-CE 3.49Å; D256-K403 PolarHBondContact O-NZ 2.92Å
257G93Very high93.5Very high1 Ų114.8 Ų14.81%0.018%0.075CC..SBendtrans74.84-177.200000114.8H192 S254 P255 I259 M284H192-G257 WeakPolarHBondContact NE2-CA 3.25Å; H192-G257 PolarHBondContact NE2-O 3.38Å; S254-G257 WeakPolarHBondContact O-CA 3.39Å; S254-G257 PolarHBondContact O-N 3.29Å; S254-G257 PolarHBondContact OG-N 3.32Å; P255-G257 VanDerWaalsContact C-N 3.35Å; G257-I259 VanDerWaalsContact C-N 3.3Å; G257-I259 PolarHBondContact O-N 3.35Å; G257-M284 WeakPolarHBondContact O-CB 3.13Å; G257-M284 WeakPolarHBondContact O-CG 3.44Å
258N93.1Very high93.8Very high46 Ų4611.7 Ų11.725%0.2467%0.066CC..SBendtrans-80.2-13.3-179.3-70-40.4000113.4S254 D256 Q283 M284 Y325S254-N258 PolarHBondContact OG-N 3.48Å; D256-N258 PolarHBondContact O-N 3.28Å; D256-N258 PolarHBondContact OD1-N 2.95Å; D256-N258 WeakPolarHBondContact OD2-CB 3.16Å; D256-N258 PolarHBondContact OD2-ND2 3.49Å; N258-Q283 CarbonylContact O-C 3.54Å; N258-Q283 WeakPolarHBondContact O-CA 3.42Å; N258-M284 PolarHBondContact O-N 3.14Å; N258-Y325 PolarHBondContact ND2-OH 3.3Å
259I95.2Very high92.7Very high1 Ų115 Ų151%0.0058%0.082CC..EExtended strand (participates in β ladder)trans-130.3136.6-177.7-51.8174.4000108.7F253 S254 G257 V261 I281 W282 F305 V321 L323 T342F253-I259 CarbonylContact C-O 3.54Å; F253-I259 VanDerWaalsContact CA-O 3.29Å; F253-I259 WeakPolarHBondContact CA-O 3.3Å; S254-I259 PolarHBondContact N-O 3.13Å; S254-I259 PolarHBondContact OG-N 3.39Å; S254-I259 PolarHBondContact OG-O 3.37Å; G257-I259 VanDerWaalsContact C-N 3.3Å; G257-I259 PolarHBondContact O-N 3.35Å; I259-V261 HydrophobicContact CG2-CG2 3.98Å; I259-I281 HydrophobicContact CG2-CG2 3.55Å; I259-W282 WeakPolarHBondContact CA-O 3.2Å; I259-F305 HydrophobicContact CB-CZ 4.34Å; I259-F305 HydrophobicContact CG2-CZ 4.14Å; I259-V321 HydrophobicContact CD1-CB 4.17Å; I259-V321 HydrophobicContact CD1-CG1 4.21Å; I259-V321 HydrophobicContact CD1-CG2 3.86Å; I259-V321 HydrophobicContact CG1-CG1 4.23Å; I259-V321 HydrophobicContact CG1-CG2 4.25Å; I259-L323 HydrophobicContact CD1-CD1 3.81Å; I259-L323 HydrophobicContact CG1-CD1 4.31Å; I259-T342 HydrophobicContact CD1-CG2 3.46Å; I259-T342 VanDerWaalsContact CD1-CG2 3.46Å
260L96.8Very high91.1Very high0 Ų023 Ų230%012%0.117CC..EExtended strand (participates in β ladder)trans-118.5125.4167.5172.863.7000108.4V199 M207 P251 F253 V262 I281 W282 M284 L287V199-L260 HydrophobicContact CG1-CD2 4.37Å; V199-L260 HydrophobicContact CG2-CD2 4.07Å; M207-L260 HydrophobicContact CE-CD2 4.3Å; M207-L260 HydrophobicContact SD-CD2 4.28Å; P251-L260 HydrophobicContact CB-CD1 4.28Å; F253-L260 HydrophobicContact CD1-CB 3.84Å; F253-L260 HydrophobicContact CD1-CD1 3.93Å; F253-L260 HydrophobicContact CD1-CG 4.4Å; F253-L260 HydrophobicContact CD2-CD1 4.25Å; F253-L260 HydrophobicContact CE1-CB 3.71Å; F253-L260 HydrophobicContact CE1-CD1 3.82Å; F253-L260 HydrophobicContact CE1-CD2 4.14Å; F253-L260 HydrophobicContact CE1-CG 4.08Å; F253-L260 HydrophobicContact CE2-CD1 4.14Å; F253-L260 HydrophobicContact CG-CD1 4.16Å; F253-L260 HydrophobicContact CZ-CD1 3.94Å; F253-L260 HydrophobicContact CZ-CD2 4.25Å; F253-L260 HydrophobicContact CZ-CG 4.46Å; L260-V262 HydrophobicContact CD1-CG2 4.12Å; L260-V262 HydrophobicContact CD2-CG2 3.99Å; L260-V262 HydrophobicContact CG-CG2 3.73Å; L260-I281 CarbonylContact O-C 3.52Å; L260-I281 WeakPolarHBondContact O-CA 3.28Å; L260-W282 HydrophobicContact CB-CB 4.36Å; L260-W282 PolarHBondContact N-O 2.81Å; L260-W282 PolarHBondContact O-N 3.01Å; L260-M284 HydrophobicContact CB-SD 4.34Å; L260-L287 HydrophobicContact CD2-CD2 3.93Å
261V97.9Very high89.4Confident0 Ų031.6 Ų31.60%016%0.157CC..EExtended strand (participates in β ladder)trans-114.1129.6174.2-173.90000108.8P251 S252 I259 Y280 I281 V303 F305 F329 I331P251-V261 WeakPolarHBondContact CA-O 3.33Å; S252-V261 PolarHBondContact N-O 2.79Å; S252-V261 PolarHBondContact O-N 3.01Å; I259-V261 HydrophobicContact CG2-CG2 3.98Å; V261-Y280 WeakPolarHBondContact CA-O 3.4Å; V261-I281 HydrophobicContact CG1-CG1 4.23Å; V261-I281 HydrophobicContact CG2-CD1 4.36Å; V261-I281 HydrophobicContact CG2-CG1 4.1Å; V261-I281 HydrophobicContact CG2-CG2 4.34Å; V261-V303 HydrophobicContact CB-CG1 3.82Å; V261-V303 HydrophobicContact CG1-CB 4.45Å; V261-V303 HydrophobicContact CG1-CG1 3.76Å; V261-V303 HydrophobicContact CG1-CG2 4.03Å; V261-F305 HydrophobicContact CB-CE2 4.22Å; V261-F305 HydrophobicContact CG2-CE2 3.7Å; V261-F305 HydrophobicContact CG2-CZ 3.59Å; V261-F329 HydrophobicContact CG1-CD2 4.46Å; V261-F329 HydrophobicContact CG1-CE2 4.15Å; V261-F329 HydrophobicContact CG2-CD2 4.44Å; V261-F329 HydrophobicContact CG2-CE2 4.23Å; V261-F329 HydrophobicContact CG2-CZ 4.45Å; V261-I331 HydrophobicContact CG1-CD1 4.29Å
262V97.5Very high87.7Confident0 Ų038.5 Ų38.50%019%0.193CC..EExtended strand (participates in β ladder)trans-126.5128.6-172.1-172.10000109.9M201 M207 F239 P251 L260 S279 Y280 W282M201-V262 HydrophobicContact CE-CG1 3.66Å; M201-V262 HydrophobicContact CG-CG1 4.29Å; M201-V262 HydrophobicContact SD-CG1 3.29Å; M201-V262 WeakPolarHBondContact SD-CG1 3.49Å; M207-V262 HydrophobicContact CE-CG2 4.45Å; M207-V262 HydrophobicContact SD-CB 4.41Å; M207-V262 HydrophobicContact SD-CG1 3.95Å; M207-V262 HydrophobicContact SD-CG2 3.6Å; M207-V262 VanDerWaalsContact SD-CG2 3.6Å; F239-V262 HydrophobicContact CE1-CB 4.43Å; F239-V262 HydrophobicContact CE1-CG1 3.63Å; F239-V262 HydrophobicContact CZ-CG1 3.93Å; P251-V262 HydrophobicContact CB-CG1 4.4Å; P251-V262 HydrophobicContact CB-CG2 4.25Å; L260-V262 HydrophobicContact CD1-CG2 4.12Å; L260-V262 HydrophobicContact CD2-CG2 3.99Å; L260-V262 HydrophobicContact CG-CG2 3.73Å; V262-S279 CarbonylContact O-C 3.54Å; V262-S279 VanDerWaalsContact O-CA 3.26Å; V262-S279 WeakPolarHBondContact O-CA 3.49Å; V262-S279 WeakPolarHBondContact O-CB 3.27Å; V262-Y280 PolarHBondContact N-O 3.41Å; V262-Y280 PolarHBondContact O-N 2.85Å; V262-W282 HydrophobicContact CB-CZ3 3.74Å; V262-W282 HydrophobicContact CG2-CE3 3.85Å; V262-W282 HydrophobicContact CG2-CH2 4.34Å; V262-W282 HydrophobicContact CG2-CZ3 3.39Å
263P96.3Very high86.2Confident0 Ų046.9 Ų46.90%023%0.228CC..EExtended strand (participates in β ladder)trans-78.9-176.6178.434.3-35.5000112.4M249 G265 T300 V303M249-P263 HydrophobicContact SD-CG 4.43Å; P263-G265 VanDerWaalsContact C-N 3.25Å; P263-G265 PolarHBondContact O-N 3.11Å; P263-T300 WeakPolarHBondContact CA-OG1 3.29Å; P263-T300 WeakPolarHBondContact CB-OG1 3.3Å; P263-V303 HydrophobicContact CB-CG2 4.16Å; P263-V303 HydrophobicContact CG-CG2 4.32Å
264N94.4Very high85.3Confident6 Ų649.2 Ų49.23%0.03225%0.249CC..EExtended strand (participates in β ladder)trans6224.3169.9-163.450.9000115.9F239 D240 M249 R299 T300F239-N264 WeakPolarHBondContact CA-O 3.2Å; D240-N264 PolarHBondContact N-O 3.36Å; D240-N264 PolarHBondContact O-ND2 3.19Å; M249-N264 HydrophobicContact CE-CB 4.25Å; M249-N264 HydrophobicContact SD-CB 3.5Å; M249-N264 VanDerWaalsContact SD-CB 3.5Å; N264-R299 WeakPolarHBondContact OD1-CG 3.44Å; N264-R299 PolarHBondContact OD1-NH1 2.81Å; N264-T300 PolarHBondContact N-O 3.41Å; N264-T300 PolarHBondContact N-OG1 2.81Å
265G93.3Very high84.8Confident0 Ų052.9 Ų52.90%027%0.265CS..EExtended strand (participates in β ladder)trans-72.3160.8170.900000112.2L238 P263 Y277 A278L238-G265 CarbonylContact O-C 3.45Å; L238-G265 WeakPolarHBondContact O-CA 3.21Å; P263-G265 VanDerWaalsContact C-N 3.25Å; P263-G265 PolarHBondContact O-N 3.11Å; G265-Y277 CarbonylContact O-C 3.59Å; G265-Y277 WeakPolarHBondContact O-CA 3.19Å; G265-A278 CarbonylContact C-O 3.55Å; G265-A278 WeakPolarHBondContact CA-O 3.24Å; G265-A278 PolarHBondContact N-O 3.03Å; G265-A278 PolarHBondContact O-N 3.42Å
266K90.1Very high84.5Confident22 Ų2256.3 Ų56.310%0.09627%0.273CS..EExtended strand (participates in β ladder)trans-136.2138.9173.870-173.4-179.8-155.60112.3T237 L238 F239 D240 F275 R276 Y280T237-K266 VanDerWaalsContact O-CE 3.31Å; T237-K266 WeakPolarHBondContact O-CE 3.43Å; T237-K266 WeakPolarHBondContact OG1-CE 3.04Å; T237-K266 PolarHBondContact OG1-NZ 3.17Å; L238-K266 WeakPolarHBondContact O-CG 3.16Å; L238-K266 PolarHBondContact O-N 3.44Å; F239-K266 VanDerWaalsContact O-CE 3.23Å; F239-K266 WeakPolarHBondContact O-CE 3.33Å; F239-K266 PolarHBondContact O-NZ 3Å; D240-K266 HydrophobicContact CB-CD 4.44Å; K266-F275 HydrophobicContact CB-CB 4.11Å; K266-F275 HydrophobicContact CB-CD2 3.48Å; K266-F275 VanDerWaalsContact CB-CD2 3.48Å; K266-F275 HydrophobicContact CB-CE2 4.06Å; K266-F275 HydrophobicContact CB-CG 3.92Å; K266-F275 HydrophobicContact CD-CD1 4.42Å; K266-F275 HydrophobicContact CD-CD2 4.37Å; K266-F275 HydrophobicContact CD-CG 4.26Å; K266-F275 HydrophobicContact CG-CD2 4.47Å; K266-R276 CarbonylContact C-O 3.57Å; K266-R276 WeakPolarHBondContact CA-O 3.44Å; K266-Y280 PolarHBondContact N-OH 3.12Å; K266-Y280 PolarHBondContact O-OH 2.9Å
267I86.3Confident84.6Confident36 Ų3658.7 Ų58.719%0.18528%0.283CS..EExtended strand (participates in β ladder)trans-115.6114.3176.3-49.2168000106.9E269 F275 R276 A278 I293 P295I267-E269 PolarHBondContact O-N 2.8Å; I267-F275 CarbonylContact O-C 3.49Å; I267-F275 WeakPolarHBondContact O-CA 3.37Å; I267-F275 WeakPolarHBondContact O-CB 3.49Å; I267-R276 PolarHBondContact N-O 3.2Å; I267-R276 PolarHBondContact O-N 2.78Å; I267-A278 HydrophobicContact CD1-CB 3.69Å; I267-A278 HydrophobicContact CG1-CB 3.71Å; I267-I293 HydrophobicContact CD1-CG2 3.45Å; I267-I293 VanDerWaalsContact CD1-CG2 3.45Å; I267-I293 HydrophobicContact CG1-CG2 3.79Å; I267-P295 HydrophobicContact CD1-CB 4.28Å; I267-P295 HydrophobicContact CD1-CG 4.03Å
268C78.9Confident84.6Confident41 Ų4158.7 Ų58.728%0.27728%0.282SS..EExtended strand (participates in β ladder)trans-76.4115173.5-58.80000109.7R236R236-C268 PolarHBondContact NH1-O 3.24Å
269E66.7Low84.7Confident89 Ų8956.5 Ų56.542%0.41627%0.271SS..  trans-95.9111.3174.9-77.3-175.4-178.500109.5I267 A274 R276I267-E269 PolarHBondContact O-N 2.8Å; E269-A274 PolarHBondContact N-O 2.86Å; E269-R276 IonicContact OE1-CZ 2.77Å; E269-R276 IonicContact OE1-NE 3.79Å; E269-R276 IonicContact OE1-NH1 2.83Å; E269-R276 PolarHBondContact OE1-NH1 2.88Å; E269-R276 IonicContact OE1-NH2 3.92Å; E269-R276 PolarHBondContact OE1-NH2 2.93Å; E269-R276 IonicContact OE2-CZ 3.72Å; E269-R276 VanDerWaalsContact OE2-CZ 3.32Å; E269-R276 IonicContact OE2-NH1 3.45Å; E269-R276 IonicContact OE2-NH2 3.24Å; E269-R276 PolarHBondContact OE2-NH2 2.92Å
270K60.5Low84.7Confident170 Ų17056.5 Ų56.574%0.73927%0.271SS*.SBendtrans59.4172.6178.3-59.3-176.1178.1-177.60114.5N272K270-N272 PolarHBondContact O-N 2.81Å
271E61.8Low84.7Confident185 Ų18556.6 Ų56.686%0.86427%0.271SS*.THydrogen-bonded Turntrans-58.9-19.8-164.2-64.7-178.4155.800115.6K273E271-K273 PolarHBondContact O-N 3.01Å
272N60.7Low84.5Confident149 Ų14956.6 Ų56.680%0.79727%0.271SS*.THydrogen-bonded Turntrans-72.516.9-170-82.4-7.7000116.2K270 A274K270-N272 PolarHBondContact O-N 2.81Å; N272-A274 PolarHBondContact O-N 2.9Å
273K67.7Low84.2Confident188 Ų18860 Ų6082%0.81729%0.287SS*.SBendtrans56.1-0.2-176.1-62.4179.8177.4175.30115.5E271E271-K273 PolarHBondContact O-N 3.01Å
274A78.9Confident83.9Confident60 Ų6060.6 Ų60.650%0.49629%0.29SS..  trans-68.8137.5173.900000109.3E269 N272E269-A274 PolarHBondContact N-O 2.86Å; N272-A274 PolarHBondContact O-N 2.9Å
275F84.6Confident83.3Confident77 Ų7762.2 Ų62.234%0.33830%0.301SS..EExtended strand (participates in β ladder)trans-126.315217766.9-95.3000111.1D240 K266 I267 Y277D240-F275 HydrophobicContact CB-CE2 4.46Å; D240-F275 HydrophobicContact CB-CZ 4.43Å; K266-F275 HydrophobicContact CB-CB 4.11Å; K266-F275 HydrophobicContact CB-CD2 3.48Å; K266-F275 VanDerWaalsContact CB-CD2 3.48Å; K266-F275 HydrophobicContact CB-CE2 4.06Å; K266-F275 HydrophobicContact CB-CG 3.92Å; K266-F275 HydrophobicContact CD-CD1 4.42Å; K266-F275 HydrophobicContact CD-CD2 4.37Å; K266-F275 HydrophobicContact CD-CG 4.26Å; K266-F275 HydrophobicContact CG-CD2 4.47Å; I267-F275 CarbonylContact O-C 3.49Å; I267-F275 WeakPolarHBondContact O-CA 3.37Å; I267-F275 WeakPolarHBondContact O-CB 3.49Å; F275-Y277 HydrophobicContact CE2-CD1 4.12Å; F275-Y277 AromaticContact CE2-CE1 3.7Å; F275-Y277 HydrophobicContact CE2-CE1 3.7Å; F275-Y277 AromaticContact CE2-CZ 3.91Å; F275-Y277 HydrophobicContact CZ-CE1 4.46Å
276R89.3Confident82.9Confident108 Ų10866.1 Ų66.141%0.40832%0.322SS..EExtended strand (participates in β ladder)trans-100.2144.6167.2-173.4176.6-68.21485108.8K266 I267 E269 S296K266-R276 CarbonylContact C-O 3.57Å; K266-R276 WeakPolarHBondContact CA-O 3.44Å; I267-R276 PolarHBondContact N-O 3.2Å; I267-R276 PolarHBondContact O-N 2.78Å; E269-R276 IonicContact OE1-CZ 2.77Å; E269-R276 IonicContact OE1-NE 3.79Å; E269-R276 IonicContact OE1-NH1 2.83Å; E269-R276 PolarHBondContact OE1-NH1 2.88Å; E269-R276 IonicContact OE1-NH2 3.92Å; E269-R276 PolarHBondContact OE1-NH2 2.93Å; E269-R276 IonicContact OE2-CZ 3.72Å; E269-R276 VanDerWaalsContact OE2-CZ 3.32Å; E269-R276 IonicContact OE2-NH1 3.45Å; E269-R276 IonicContact OE2-NH2 3.24Å; E269-R276 PolarHBondContact OE2-NH2 2.92Å; R276-S296 WeakPolarHBondContact CG-O 3.37Å
277Y93.3Very high82.6Confident54 Ų5465.1 Ų65.121%0.21232%0.318CS..EExtended strand (participates in β ladder)trans-68.4155.5172.8-68.7-72.6000111.2D240 G265 F275 S296 E298 R299D240-Y277 HydrophobicContact CB-CE1 4.4Å; G265-Y277 CarbonylContact O-C 3.59Å; G265-Y277 WeakPolarHBondContact O-CA 3.19Å; F275-Y277 HydrophobicContact CE2-CD1 4.12Å; F275-Y277 AromaticContact CE2-CE1 3.7Å; F275-Y277 HydrophobicContact CE2-CE1 3.7Å; F275-Y277 AromaticContact CE2-CZ 3.91Å; F275-Y277 HydrophobicContact CZ-CE1 4.46Å; Y277-S296 PolarHBondContact O-N 2.98Å; Y277-S296 VanDerWaalsContact O-O 3.08Å; Y277-E298 VanDerWaalsContact CB-O 3.24Å; Y277-E298 WeakPolarHBondContact CB-O 3Å; Y277-R299 HydrophobicContact CD1-CB 3.98Å; Y277-R299 HydrophobicContact CD1-CG 4.22Å; Y277-R299 HydrophobicContact CD2-CB 4.39Å; Y277-R299 HydrophobicContact CE1-CB 3.81Å; Y277-R299 HydrophobicContact CE1-CG 4.02Å; Y277-R299 HydrophobicContact CE2-CB 4.25Å; Y277-R299 HydrophobicContact CG-CB 4.27Å; Y277-R299 PolarHBondContact OH-NH2 3.36Å
278A93.7Very high82.4Confident0 Ų067.2 Ų67.20%032%0.323CS..EExtended strand (participates in β ladder)trans-154.7168.1176.200000111.7G265 I267 I293 L294 T300G265-A278 CarbonylContact C-O 3.55Å; G265-A278 WeakPolarHBondContact CA-O 3.24Å; G265-A278 PolarHBondContact N-O 3.03Å; G265-A278 PolarHBondContact O-N 3.42Å; I267-A278 HydrophobicContact CD1-CB 3.69Å; I267-A278 HydrophobicContact CG1-CB 3.71Å; A278-I293 HydrophobicContact CB-CG2 3.76Å; A278-L294 CarbonylContact C-O 3.49Å; A278-L294 WeakPolarHBondContact CA-O 3.47Å; A278-L294 WeakPolarHBondContact CB-O 3.49Å; A278-T300 PolarHBondContact O-OG1 2.82Å
279S95.6Very high82.7Confident1 Ų167.7 Ų67.71%0.00733%0.325CS..EExtended strand (participates in β ladder)trans-115.3142.7160.6-61.80000109.1V262 L294 T300V262-S279 CarbonylContact O-C 3.54Å; V262-S279 VanDerWaalsContact O-CA 3.26Å; V262-S279 WeakPolarHBondContact O-CA 3.49Å; V262-S279 WeakPolarHBondContact O-CB 3.27Å; S279-L294 PolarHBondContact N-O 3.37Å; S279-L294 PolarHBondContact O-N 3.35Å; S279-T300 PolarHBondContact OG-OG1 3.42Å
280Y95.4Very high83.8Confident0 Ų064.2 Ų64.20%031%0.31CS..EExtended strand (participates in β ladder)trans-103.2149.5179.7-66.4-60.5000111L225 L238 F239 V261 V262 K266 W282 P290 I293L225-Y280 HydrophobicContact CD2-CE1 4.39Å; L238-Y280 HydrophobicContact CB-CE2 3.82Å; L238-Y280 HydrophobicContact CD2-CD2 4.4Å; L238-Y280 HydrophobicContact CD2-CE1 4.38Å; L238-Y280 HydrophobicContact CD2-CE2 3.85Å; L238-Y280 HydrophobicContact CG-CE2 4.4Å; L238-Y280 VanDerWaalsContact O-CE2 3.26Å; L238-Y280 WeakPolarHBondContact O-CE2 3.28Å; L238-Y280 PolarHBondContact O-OH 2.96Å; L238-Y280 VanDerWaalsContact O-OH 3.06Å; F239-Y280 HydrophobicContact CD1-CD2 4.41Å; F239-Y280 HydrophobicContact CD1-CE2 4.38Å; F239-Y280 AromaticContact CE1-CD2 3.83Å; F239-Y280 HydrophobicContact CE1-CD2 3.83Å; F239-Y280 HydrophobicContact CE1-CE2 4.2Å; F239-Y280 HydrophobicContact CZ-CD2 4.4Å; V261-Y280 WeakPolarHBondContact CA-O 3.4Å; V262-Y280 PolarHBondContact N-O 3.41Å; V262-Y280 PolarHBondContact O-N 2.85Å; K266-Y280 PolarHBondContact N-OH 3.12Å; K266-Y280 PolarHBondContact O-OH 2.9Å; Y280-W282 VanDerWaalsContact CB-CH2 3.46Å; Y280-W282 HydrophobicContact CD2-CH2 4.09Å; Y280-W282 HydrophobicContact CG-CH2 4.04Å; Y280-W282 HydrophobicContact CG-CZ3 4.27Å; Y280-P290 HydrophobicContact CD1-CB 3.99Å; Y280-P290 HydrophobicContact CD1-CG 3.73Å; Y280-P290 HydrophobicContact CE1-CG 4.37Å; Y280-P290 HydrophobicContact CG-CB 4.35Å; Y280-P290 HydrophobicContact CG-CG 3.96Å; Y280-I293 HydrophobicContact CD1-CB 4.37Å; Y280-I293 HydrophobicContact CD1-CG1 3.95Å; Y280-I293 HydrophobicContact CD1-CG2 4Å; Y280-I293 HydrophobicContact CE1-CB 4.48Å; Y280-I293 HydrophobicContact CE1-CD1 4.13Å; Y280-I293 HydrophobicContact CE1-CG1 4Å; Y280-I293 HydrophobicContact CE1-CG2 3.83Å
281I95.3Very high85.2Confident2 Ų259 Ų591%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-124132.5177.5-53.6-173.1000108.8I259 L260 V261 P290 C291 Y292 L294 M320 F329I259-I281 HydrophobicContact CG2-CG2 3.55Å; L260-I281 CarbonylContact O-C 3.52Å; L260-I281 WeakPolarHBondContact O-CA 3.28Å; V261-I281 HydrophobicContact CG1-CG1 4.23Å; V261-I281 HydrophobicContact CG2-CD1 4.36Å; V261-I281 HydrophobicContact CG2-CG1 4.1Å; V261-I281 HydrophobicContact CG2-CG2 4.34Å; I281-P290 CarbonylContact O-C 3.48Å; I281-P290 WeakPolarHBondContact O-CA 3.27Å; I281-P290 WeakPolarHBondContact O-CB 3.4Å; I281-C291 PolarHBondContact O-N 2.83Å; I281-C291 PolarHBondContact O-SG 2.86Å; I281-Y292 HydrophobicContact CD1-CD1 4.31Å; I281-Y292 PolarHBondContact N-O 2.58Å; I281-Y292 PolarHBondContact O-N 2.98Å; I281-L294 HydrophobicContact CD1-CD1 3.79Å; I281-L294 HydrophobicContact CD1-CG 3.99Å; I281-L294 HydrophobicContact CG1-CD1 4.38Å; I281-L294 HydrophobicContact CG1-CG 4.46Å; I281-M320 HydrophobicContact CD1-CE 3Å; I281-M320 HydrophobicContact CG1-CE 4.48Å; I281-F329 HydrophobicContact CD1-CZ 4.19Å
282W93.6Very high86.5Confident0 Ų052.8 Ų52.80%026%0.263CS..EExtended strand (participates in β ladder)trans-114.3140.4168.5-72.8-99000110M207 L238 F239 I259 L260 V262 Y280 L287 T289 P290M207-W282 HydrophobicContact CE-CH2 4.21Å; M207-W282 HydrophobicContact CE-CZ2 4.3Å; M207-W282 HydrophobicContact CE-CZ3 4.45Å; L238-W282 HydrophobicContact CD1-CH2 4.37Å; L238-W282 HydrophobicContact CD1-CZ2 4.1Å; F239-W282 HydrophobicContact CZ-CH2 4.16Å; I259-W282 WeakPolarHBondContact CA-O 3.2Å; L260-W282 HydrophobicContact CB-CB 4.36Å; L260-W282 PolarHBondContact N-O 2.81Å; L260-W282 PolarHBondContact O-N 3.01Å; V262-W282 HydrophobicContact CB-CZ3 3.74Å; V262-W282 HydrophobicContact CG2-CE3 3.85Å; V262-W282 HydrophobicContact CG2-CH2 4.34Å; V262-W282 HydrophobicContact CG2-CZ3 3.39Å; Y280-W282 VanDerWaalsContact CB-CH2 3.46Å; Y280-W282 HydrophobicContact CD2-CH2 4.09Å; Y280-W282 HydrophobicContact CG-CH2 4.04Å; Y280-W282 HydrophobicContact CG-CZ3 4.27Å; W282-L287 HydrophobicContact CB-CD2 4.05Å; W282-L287 HydrophobicContact CG-CD2 3.98Å; W282-L287 PolarHBondContact NE1-O 2.88Å; W282-T289 VanDerWaalsContact NE1-C 3.33Å; W282-P290 HydrophobicContact CH2-CG 4.05Å; W282-P290 HydrophobicContact CZ2-CB 4.42Å; W282-P290 HydrophobicContact CZ2-CG 3.61Å
283Q91.6Very high88Confident71 Ų7147.5 Ų47.533%0.33224%0.235SC..EExtended strand (participates in β ladder)trans-94.9113.2167-172.2174.4900108.8N258 N286 C291 V321N258-Q283 CarbonylContact O-C 3.54Å; N258-Q283 WeakPolarHBondContact O-CA 3.42Å; Q283-N286 PolarHBondContact O-N 3.46Å; Q283-N286 VanDerWaalsContact O-N 3.08Å; Q283-C291 HydrophobicContact CB-CB 4.44Å; Q283-C291 PolarHBondContact N-SG 2.83Å; Q283-C291 VanDerWaalsContact N-SG 3.45Å; Q283-V321 HydrophobicContact CB-CG1 4.43Å; Q283-V321 VanDerWaalsContact CD-CG1 3.5Å; Q283-V321 HydrophobicContact CG-CG1 3.88Å
284M89.7Confident89.2Confident14 Ų1438.8 Ų38.87%0.06920%0.197CC..THydrogen-bonded Turntrans-67.6146.6-179-60.7-63.4-70.900110.6L197 F253 G257 N258 L260 L287 Y414L197-M284 HydrophobicContact CD1-CE 3.68Å; F253-M284 HydrophobicContact CE1-CE 3.97Å; F253-M284 HydrophobicContact CE1-CG 4.25Å; F253-M284 HydrophobicContact CE1-SD 4Å; G257-M284 WeakPolarHBondContact O-CB 3.13Å; G257-M284 WeakPolarHBondContact O-CG 3.44Å; N258-M284 PolarHBondContact O-N 3.14Å; L260-M284 HydrophobicContact CB-SD 4.34Å; M284-L287 HydrophobicContact CE-CD1 4.02Å; M284-L287 HydrophobicContact CE-CD2 4.4Å; M284-L287 HydrophobicContact CE-CG 4.25Å; M284-L287 HydrophobicContact SD-CD1 4.24Å; M284-L287 HydrophobicContact SD-CD2 3.57Å; M284-L287 VanDerWaalsContact SD-CD2 3.57Å; M284-L287 HydrophobicContact SD-CG 3.86Å; M284-Y414 HydrophobicContact CE-CD1 4.02Å; M284-Y414 HydrophobicContact CE-CE1 3.67Å
285P83.3Confident89.9Confident40 Ų4039.1 Ų39.126%0.2619%0.194SC..THydrogen-bonded Turncis-88.68.36.836.4-36.6000114.6L287 Y414P285-L287 PolarHBondContact O-N 3.34Å; P285-Y414 HydrophobicContact CB-CD1 3.65Å; P285-Y414 HydrophobicContact CB-CE1 3.98Å
286N84.9Confident90.3Very high81 Ų8135.6 Ų35.643%0.43318%0.179SC..  trans-82.6108.4-176.2-174.84.3000111.3Q283 R288Q283-N286 PolarHBondContact O-N 3.46Å; Q283-N286 VanDerWaalsContact O-N 3.08Å; N286-R288 VanDerWaalsContact OD1-CB 3.26Å; N286-R288 WeakPolarHBondContact OD1-CB 3.39Å; N286-R288 PolarHBondContact OD1-N 3.32Å
287L83.8Confident90.3Very high2 Ų234.6 Ų34.61%0.0119%0.186CC..  trans-102.94.5177.5-72.1168.3000113.5I209 L220 L260 W282 M284 P285 I416I209-L287 HydrophobicContact CD1-CB 4.4Å; I209-L287 HydrophobicContact CD1-CD1 3.78Å; I209-L287 HydrophobicContact CG1-CD1 4.42Å; I209-L287 HydrophobicContact CG2-CD1 4.26Å; L220-L287 HydrophobicContact CD1-CB 4.41Å; L220-L287 WeakPolarHBondContact CD1-O 3.28Å; L260-L287 HydrophobicContact CD2-CD2 3.93Å; W282-L287 HydrophobicContact CB-CD2 4.05Å; W282-L287 HydrophobicContact CG-CD2 3.98Å; W282-L287 PolarHBondContact NE1-O 2.88Å; M284-L287 HydrophobicContact CE-CD1 4.02Å; M284-L287 HydrophobicContact CE-CD2 4.4Å; M284-L287 HydrophobicContact CE-CG 4.25Å; M284-L287 HydrophobicContact SD-CD1 4.24Å; M284-L287 HydrophobicContact SD-CD2 3.57Å; M284-L287 VanDerWaalsContact SD-CD2 3.57Å; M284-L287 HydrophobicContact SD-CG 3.86Å; P285-L287 PolarHBondContact O-N 3.34Å; L287-I416 HydrophobicContact CD1-CD1 4.15Å; L287-I416 HydrophobicContact CD1-CG1 4.44Å
288R81.9Confident90.2Very high80 Ų8034.7 Ų34.730%0.30219%0.189SC..SBendtrans-66.7-44.3-173.8-173.1-179.5-71.2-154.5-3.4112.8C223 N286 S417C223-R288 PolarHBondContact SG-O 2.99Å; N286-R288 VanDerWaalsContact OD1-CB 3.26Å; N286-R288 WeakPolarHBondContact OD1-CB 3.39Å; N286-R288 PolarHBondContact OD1-N 3.32Å; R288-S417 PolarHBondContact NH2-O 2.84Å
289T85Confident90.2Very high50 Ų5035.8 Ų35.831%0.30719%0.193SC..SBendtrans-141144.517954.40000109.3L224 W282 C291L224-T289 HydrophobicContact CB-CG2 4.49Å; W282-T289 VanDerWaalsContact NE1-C 3.33Å; T289-C291 PolarHBondContact O-N 2.88Å
290P90.1Very high90.2Very high17 Ų1735.8 Ų35.811%0.1119%0.193CC..  trans-53.7135.7167-20.129.4000110L238 Y280 I281 W282 Y292L238-P290 HydrophobicContact CD2-CG 4.37Å; Y280-P290 HydrophobicContact CD1-CB 3.99Å; Y280-P290 HydrophobicContact CD1-CG 3.73Å; Y280-P290 HydrophobicContact CE1-CG 4.37Å; Y280-P290 HydrophobicContact CG-CB 4.35Å; Y280-P290 HydrophobicContact CG-CG 3.96Å; I281-P290 CarbonylContact O-C 3.48Å; I281-P290 WeakPolarHBondContact O-CA 3.27Å; I281-P290 WeakPolarHBondContact O-CB 3.4Å; W282-P290 HydrophobicContact CH2-CG 4.05Å; W282-P290 HydrophobicContact CZ2-CB 4.42Å; W282-P290 HydrophobicContact CZ2-CG 3.61Å; P290-Y292 VanDerWaalsContact C-N 3.33Å
291C88.6Confident90.1Very high59 Ų5936.5 Ų36.540%0.39920%0.196SC..SBendtrans-78.2-23.8169.561.10000111.6I281 Q283 T289I281-C291 PolarHBondContact O-N 2.83Å; I281-C291 PolarHBondContact O-SG 2.86Å; Q283-C291 HydrophobicContact CB-CB 4.44Å; Q283-C291 PolarHBondContact N-SG 2.83Å; Q283-C291 VanDerWaalsContact N-SG 3.45Å; T289-C291 PolarHBondContact O-N 2.88Å
292Y89.7Confident90.2Very high55 Ų5536.4 Ų36.422%0.21620%0.196CC..EExtended strand (participates in β ladder)trans-149.8156.6178.7-157.9-115.1000112.9I281 P290 L294 M320 M345I281-Y292 HydrophobicContact CD1-CD1 4.31Å; I281-Y292 PolarHBondContact N-O 2.58Å; I281-Y292 PolarHBondContact O-N 2.98Å; P290-Y292 VanDerWaalsContact C-N 3.33Å; Y292-L294 HydrophobicContact CD1-CD2 3.61Å; Y292-L294 HydrophobicContact CD1-CG 4.19Å; Y292-L294 HydrophobicContact CE1-CD2 3.41Å; Y292-L294 VanDerWaalsContact CE1-CD2 3.41Å; Y292-L294 HydrophobicContact CE1-CG 4.42Å; Y292-M320 HydrophobicContact CD1-CE 3.66Å; Y292-M320 HydrophobicContact CD1-CG 4.19Å; Y292-M320 HydrophobicContact CE1-CE 4.07Å; Y292-M320 HydrophobicContact CE1-CG 4.1Å; Y292-M345 HydrophobicContact CD2-CE 3.77Å; Y292-M345 HydrophobicContact CD2-SD 4.19Å; Y292-M345 HydrophobicContact CE1-SD 4.06Å; Y292-M345 HydrophobicContact CE2-CE 3.03Å; Y292-M345 HydrophobicContact CE2-SD 3.59Å; Y292-M345 VanDerWaalsContact CE2-SD 3.59Å; Y292-M345 VanDerWaalsContact CZ-CE 3.48Å; Y292-M345 WeakPolarHBondContact OH-CB 3.36Å; Y292-M345 PolarHBondContact OH-O 3.34Å; Y292-M345 VanDerWaalsContact OH-O 3.06Å
293I91.5Very high90.4Very high39 Ų3936.5 Ų36.520%0.220%0.196CC..EExtended strand (participates in β ladder)trans-128.5126.2-179.8-47.8178.8000107.9L225 I267 A278 Y280 P295L225-I293 HydrophobicContact CD2-CD1 4.06Å; I267-I293 HydrophobicContact CD1-CG2 3.45Å; I267-I293 VanDerWaalsContact CD1-CG2 3.45Å; I267-I293 HydrophobicContact CG1-CG2 3.79Å; A278-I293 HydrophobicContact CB-CG2 3.76Å; Y280-I293 HydrophobicContact CD1-CB 4.37Å; Y280-I293 HydrophobicContact CD1-CG1 3.95Å; Y280-I293 HydrophobicContact CD1-CG2 4Å; Y280-I293 HydrophobicContact CE1-CB 4.48Å; Y280-I293 HydrophobicContact CE1-CD1 4.13Å; Y280-I293 HydrophobicContact CE1-CG1 4Å; Y280-I293 HydrophobicContact CE1-CG2 3.83Å; I293-P295 WeakPolarHBondContact O-CD 3.32Å
294L93.9Very high90.7Very high4 Ų435.4 Ų35.42%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-105.799.4177.2-64.1-178.7000109.9A278 S279 I281 Y292 M320 F329 I331 Y340A278-L294 CarbonylContact C-O 3.49Å; A278-L294 WeakPolarHBondContact CA-O 3.47Å; A278-L294 WeakPolarHBondContact CB-O 3.49Å; S279-L294 PolarHBondContact N-O 3.37Å; S279-L294 PolarHBondContact O-N 3.35Å; I281-L294 HydrophobicContact CD1-CD1 3.79Å; I281-L294 HydrophobicContact CD1-CG 3.99Å; I281-L294 HydrophobicContact CG1-CD1 4.38Å; I281-L294 HydrophobicContact CG1-CG 4.46Å; Y292-L294 HydrophobicContact CD1-CD2 3.61Å; Y292-L294 HydrophobicContact CD1-CG 4.19Å; Y292-L294 HydrophobicContact CE1-CD2 3.41Å; Y292-L294 VanDerWaalsContact CE1-CD2 3.41Å; Y292-L294 HydrophobicContact CE1-CG 4.42Å; L294-M320 HydrophobicContact CD1-CE 4.31Å; L294-M320 HydrophobicContact CD2-CE 3.89Å; L294-M320 HydrophobicContact CG-CE 4.39Å; L294-F329 HydrophobicContact CD1-CE2 3.93Å; L294-F329 HydrophobicContact CD1-CZ 4.07Å; L294-I331 HydrophobicContact CD1-CD1 3.55Å; L294-Y340 HydrophobicContact CD1-CD1 4.08Å; L294-Y340 HydrophobicContact CD1-CD2 4.15Å; L294-Y340 HydrophobicContact CD1-CE1 4.01Å; L294-Y340 HydrophobicContact CD1-CE2 4.07Å; L294-Y340 HydrophobicContact CD1-CG 4.16Å; L294-Y340 HydrophobicContact CD2-CD1 4.07Å; L294-Y340 HydrophobicContact CD2-CE1 3.67Å; L294-Y340 HydrophobicContact CG-CE1 4.35Å
295P92.7Very high91.1Very high67 Ų6735.6 Ų35.644%0.43519%0.19SC..EExtended strand (participates in β ladder)trans-61.5142.7176.9-21.133.4000111.7I267 I293I267-P295 HydrophobicContact CD1-CB 4.28Å; I267-P295 HydrophobicContact CD1-CG 4.03Å; I293-P295 WeakPolarHBondContact O-CD 3.32Å
296S92.9Very high91.8Very high4 Ų433.7 Ų33.73%0.02818%0.177CC..EExtended strand (participates in β ladder)trans-132.5141.1178.1-179.90000110.1R276 Y277 E298R276-S296 WeakPolarHBondContact CG-O 3.37Å; Y277-S296 PolarHBondContact O-N 2.98Å; Y277-S296 VanDerWaalsContact O-O 3.08Å; S296-E298 VanDerWaalsContact CB-O 3.31Å; S296-E298 WeakPolarHBondContact CB-O 3.35Å; S296-E298 PolarHBondContact O-N 2.81Å; S296-E298 PolarHBondContact OG-N 3.13Å; S296-E298 PolarHBondContact OG-O 2.83Å
297P90.9Very high92.2Very high86 Ų8631.7 Ų31.756%0.55817%0.169SC*.SBendtrans-68.4-26.8173.329.2-34.8000112.3M336 F338P297-M336 HydrophobicContact CG-CE 4.44Å; P297-M336 HydrophobicContact CG-SD 4.06Å; P297-F338 HydrophobicContact CG-CE2 4.45Å; P297-F338 HydrophobicContact CG-CZ 4.08Å
298E91.3Very high92.7Very high57 Ų5732.4 Ų32.427%0.26617%0.173SC..SBendtrans-125.4162.7-175.9-66-178.4-173.400111.3Y277 S296 T300 S335Y277-E298 VanDerWaalsContact CB-O 3.24Å; Y277-E298 WeakPolarHBondContact CB-O 3Å; S296-E298 VanDerWaalsContact CB-O 3.31Å; S296-E298 WeakPolarHBondContact CB-O 3.35Å; S296-E298 PolarHBondContact O-N 2.81Å; S296-E298 PolarHBondContact OG-N 3.13Å; S296-E298 PolarHBondContact OG-O 2.83Å; E298-T300 PolarHBondContact O-N 3.12Å; E298-S335 PolarHBondContact OE1-OG 2.75Å; E298-S335 PolarHBondContact OE2-N 2.97Å; E298-S335 PolarHBondContact OE2-OG 3.24Å
299R92.7Very high93.3Very high23 Ų2328.7 Ų28.79%0.08716%0.159CC..  trans-59.2126.7172.8-174.4-171.6-58.6-78.11.1109.5D240 D242 M249 N264 Y277 S333D240-R299 IonicContact OD2-CZ 3.39Å; D240-R299 IonicContact OD2-NH1 2.81Å; D240-R299 PolarHBondContact OD2-NH1 2.81Å; D240-R299 IonicContact OD2-NH2 2.86Å; D240-R299 PolarHBondContact OD2-NH2 3.45Å; D242-R299 PolarHBondContact O-NH1 2.97Å; D242-R299 PolarHBondContact O-NH2 3.25Å; M249-R299 HydrophobicContact CE-CG 4.09Å; N264-R299 WeakPolarHBondContact OD1-CG 3.44Å; N264-R299 PolarHBondContact OD1-NH1 2.81Å; Y277-R299 HydrophobicContact CD1-CB 3.98Å; Y277-R299 HydrophobicContact CD1-CG 4.22Å; Y277-R299 HydrophobicContact CD2-CB 4.39Å; Y277-R299 HydrophobicContact CE1-CB 3.81Å; Y277-R299 HydrophobicContact CE1-CG 4.02Å; Y277-R299 HydrophobicContact CE2-CB 4.25Å; Y277-R299 HydrophobicContact CG-CB 4.27Å; Y277-R299 PolarHBondContact OH-NH2 3.36Å; R299-S333 WeakPolarHBondContact O-CA 3.5Å; R299-S333 VanDerWaalsContact O-CB 3.24Å; R299-S333 WeakPolarHBondContact O-CB 3.43Å
300T94.8Very high93.8Very high1 Ų126.7 Ų26.71%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-87.5140.4173.558.50000109.5P263 N264 A278 S279 E298 I331 L332P263-T300 WeakPolarHBondContact CA-OG1 3.29Å; P263-T300 WeakPolarHBondContact CB-OG1 3.3Å; N264-T300 PolarHBondContact N-O 3.41Å; N264-T300 PolarHBondContact N-OG1 2.81Å; A278-T300 PolarHBondContact O-OG1 2.82Å; S279-T300 PolarHBondContact OG-OG1 3.42Å; E298-T300 PolarHBondContact O-N 3.12Å; T300-I331 HydrophobicContact CG2-CG2 3.46Å; T300-I331 VanDerWaalsContact CG2-CG2 3.46Å; T300-L332 CarbonylContact C-O 3.35Å; T300-L332 WeakPolarHBondContact CA-O 3.22Å
301I95.2Very high93.9Very high15 Ų1531.2 Ų31.28%0.07716%0.164CC..EExtended strand (participates in β ladder)trans-124-25.4-169.865.5173.2000113.9M249 S250 L332 L359M249-I301 CarbonylContact C-O 3.53Å; M249-I301 WeakPolarHBondContact CA-O 3.45Å; M249-I301 HydrophobicContact CE-CB 4.22Å; M249-I301 HydrophobicContact CE-CG2 3.75Å; S250-I301 PolarHBondContact N-O 3.43Å; I301-L332 HydrophobicContact CD1-CD2 3.89Å; I301-L332 HydrophobicContact CD1-CG 4.08Å; I301-L332 HydrophobicContact CG1-CB 4.11Å; I301-L332 HydrophobicContact CG1-CD2 4.03Å; I301-L332 HydrophobicContact CG1-CG 3.96Å; I301-L332 PolarHBondContact N-O 3.12Å; I301-L359 WeakPolarHBondContact CD1-O 3.42Å
302S96.2Very high93.9Very high0 Ų030.7 Ų30.70%016%0.157CC..EExtended strand (participates in β ladder)trans-152.2141.8-177.7-175.60000110.5L332S302-L332 PolarHBondContact O-N 3.4Å
303V98.2Very high93.7Very high1 Ų131 Ų311%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-121.6137.9173.5-1720000108.9S250 S252 V261 P263 F329 A330 I331S250-V303 PolarHBondContact O-N 3.2Å; S252-V303 WeakPolarHBondContact CB-O 3.48Å; V261-V303 HydrophobicContact CB-CG1 3.82Å; V261-V303 HydrophobicContact CG1-CB 4.45Å; V261-V303 HydrophobicContact CG1-CG1 3.76Å; V261-V303 HydrophobicContact CG1-CG2 4.03Å; P263-V303 HydrophobicContact CB-CG2 4.16Å; P263-V303 HydrophobicContact CG-CG2 4.32Å; V303-F329 HydrophobicContact CG1-CD2 4.21Å; V303-A330 WeakPolarHBondContact CA-O 3.3Å; V303-I331 HydrophobicContact CG1-CG1 4.26Å; V303-I331 HydrophobicContact CG2-CG1 4.23Å
304R98Very high93.1Very high48 Ų4835.3 Ų35.318%0.18118%0.182CC..EExtended strand (participates in β ladder)trans-139.1128.3173.1-71.5-61.4-138.5159.120.3111.2D20 F329 A330 V362 F364D20-R304 IonicContact OD1-NH2 3.32Å; D20-R304 PolarHBondContact OD1-NH2 3.38Å; D20-R304 IonicContact OD2-NH2 3.45Å; R304-F329 CarbonylContact O-C 3.55Å; R304-F329 VanDerWaalsContact O-CA 3.23Å; R304-F329 WeakPolarHBondContact O-CA 3.45Å; R304-F329 WeakPolarHBondContact O-CB 3.47Å; R304-A330 PolarHBondContact N-O 3.31Å; R304-A330 PolarHBondContact O-N 2.53Å; R304-V362 HydrophobicContact CB-CG1 4.37Å; R304-V362 HydrophobicContact CG-CG1 3.93Å; R304-V362 VanDerWaalsContact CG-O 3.24Å; R304-V362 WeakPolarHBondContact CG-O 3.43Å; R304-V362 PolarHBondContact NE-O 3.4Å; R304-F364 WeakPolarHBondContact O-CE2 3.41Å
305F98Very high91.9Very high18 Ų1836.7 Ų36.78%0.07919%0.191CC..EExtended strand (participates in β ladder)trans-77.1142.6167.6-81.5-95.2000111.2S252 F253 P255 I259 V261 F327 F329 T342S252-F305 WeakPolarHBondContact O-CE2 3.06Å; F253-F305 WeakPolarHBondContact O-CD2 3.39Å; P255-F305 HydrophobicContact CG-CB 4.48Å; I259-F305 HydrophobicContact CB-CZ 4.34Å; I259-F305 HydrophobicContact CG2-CZ 4.14Å; V261-F305 HydrophobicContact CB-CE2 4.22Å; V261-F305 HydrophobicContact CG2-CE2 3.7Å; V261-F305 HydrophobicContact CG2-CZ 3.59Å; F305-F327 HydrophobicContact CD1-CB 3.74Å; F305-F327 HydrophobicContact CD1-CG 4.3Å; F305-F327 HydrophobicContact CE1-CB 3.92Å; F305-F329 HydrophobicContact CB-CB 4.47Å; F305-F329 HydrophobicContact CD1-CB 3.76Å; F305-F329 HydrophobicContact CD1-CD1 4.31Å; F305-F329 HydrophobicContact CD1-CG 4.37Å; F305-F329 HydrophobicContact CD2-CB 4.18Å; F305-F329 HydrophobicContact CE1-CB 3.94Å; F305-F329 AromaticContact CE1-CD1 3.74Å; F305-F329 HydrophobicContact CE1-CD1 3.74Å; F305-F329 HydrophobicContact CE1-CG 4.05Å; F305-F329 HydrophobicContact CE2-CB 4.36Å; F305-F329 HydrophobicContact CG-CB 3.9Å; F305-F329 HydrophobicContact CZ-CB 4.25Å; F305-F329 HydrophobicContact CZ-CD1 4.09Å; F305-F329 HydrophobicContact CZ-CG 4.17Å; F305-T342 HydrophobicContact CE1-CG2 4.35Å
306C96.7Very high90.7Very high0 Ų042.5 Ų42.50%021%0.21CC..EExtended strand (participates in β ladder)trans-66.5134.2159.8-176.90000107.9V308 V328 F364 G368C306-V308 PolarHBondContact O-N 3.46Å; C306-V328 HydrophobicContact CB-CB 4.04Å; C306-V328 HydrophobicContact CB-CG1 4.45Å; C306-V328 VanDerWaalsContact CB-O 3.24Å; C306-V328 WeakPolarHBondContact CB-O 3.5Å; C306-V328 PolarHBondContact N-O 2.75Å; C306-F364 HydrophobicContact CB-CB 4.44Å; C306-F364 HydrophobicContact CB-CD1 4.04Å; C306-F364 HydrophobicContact CB-CD2 4.04Å; C306-F364 HydrophobicContact CB-CE1 4.28Å; C306-F364 HydrophobicContact CB-CE2 4.27Å; C306-F364 HydrophobicContact CB-CG 3.91Å; C306-F364 HydrophobicContact CB-CZ 4.39Å; C306-G368 VanDerWaalsContact SG-CA 3.57Å
307P94.4Very high89.6Confident40 Ų4046.1 Ų46.126%0.2623%0.226SC..EExtended strand (participates in β ladder)trans-71.3-13.5-178.929.4-36.6000113.5D366P307-D366 WeakPolarHBondContact CG-O 3.17Å
308V94.5Very high88.5Confident17 Ų1749.6 Ų49.610%0.10324%0.235CC..EExtended strand (participates in β ladder)trans-83.1134-176.9-179.10000111.1C306 F310 D367 S393C306-V308 PolarHBondContact O-N 3.46Å; V308-F310 HydrophobicContact CB-CE1 4.36Å; V308-F310 HydrophobicContact CB-CE2 3.82Å; V308-F310 HydrophobicContact CB-CZ 3.7Å; V308-F310 HydrophobicContact CG1-CD1 4.21Å; V308-F310 HydrophobicContact CG1-CD2 4.39Å; V308-F310 HydrophobicContact CG1-CE1 3.74Å; V308-F310 HydrophobicContact CG1-CE2 3.93Å; V308-F310 HydrophobicContact CG1-CZ 3.59Å; V308-F310 WeakPolarHBondContact O-CD2 3.03Å; V308-F310 WeakPolarHBondContact O-CE2 3.39Å; V308-D367 VanDerWaalsContact CG2-C 3.48Å; V308-S393 WeakPolarHBondContact CG1-OG 3.42Å
309T94.9Very high87.9Confident1 Ų149 Ų491%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-86.1132.6169.5-47.50000109.2Y325 F327 S393 T394 S396 W399T309-Y325 HydrophobicContact CG2-CD2 3.86Å; T309-Y325 HydrophobicContact CG2-CG 4.06Å; T309-F327 HydrophobicContact CG2-CE1 4.17Å; T309-F327 HydrophobicContact CG2-CZ 4.42Å; T309-F327 WeakPolarHBondContact OG1-CE1 3.49Å; T309-S393 WeakPolarHBondContact O-CA 3.31Å; T309-T394 HydrophobicContact CG2-CG2 3.6Å; T309-T394 PolarHBondContact O-N 3.47Å; T309-S396 PolarHBondContact OG1-OG 2.81Å; T309-W399 PolarHBondContact OG1-NE1 2.9Å
310F94Very high87.4Confident9 Ų948.5 Ų48.54%0.03924%0.236CC..EExtended strand (participates in β ladder)trans-116.4150.9179.1-59.9-85.5000111.4V308 K326 V328 L390 I392V308-F310 HydrophobicContact CB-CE1 4.36Å; V308-F310 HydrophobicContact CB-CE2 3.82Å; V308-F310 HydrophobicContact CB-CZ 3.7Å; V308-F310 HydrophobicContact CG1-CD1 4.21Å; V308-F310 HydrophobicContact CG1-CD2 4.39Å; V308-F310 HydrophobicContact CG1-CE1 3.74Å; V308-F310 HydrophobicContact CG1-CE2 3.93Å; V308-F310 HydrophobicContact CG1-CZ 3.59Å; V308-F310 WeakPolarHBondContact O-CD2 3.03Å; V308-F310 WeakPolarHBondContact O-CE2 3.39Å; F310-K326 HydrophobicContact CB-CG 3.77Å; F310-K326 PolarHBondContact N-O 3.3Å; F310-K326 PolarHBondContact O-N 2.82Å; F310-V328 HydrophobicContact CD2-CG2 3.99Å; F310-V328 HydrophobicContact CE2-CB 4.15Å; F310-V328 HydrophobicContact CE2-CG2 3.86Å; F310-L390 HydrophobicContact CD1-CB 4.41Å; F310-L390 HydrophobicContact CE1-CB 3.73Å; F310-L390 HydrophobicContact CE2-CB 4.25Å; F310-L390 HydrophobicContact CE2-CD1 4.35Å; F310-L390 HydrophobicContact CZ-CB 3.63Å; F310-L390 HydrophobicContact CZ-CD1 3.89Å; F310-L390 HydrophobicContact CZ-CG 4.44Å; F310-I392 WeakPolarHBondContact CA-O 3.16Å
311K91.9Very high86.8Confident112 Ų11248.6 Ų48.649%0.48724%0.236SC..EExtended strand (participates in β ladder)trans-67.2148.2167-62.6-170.8178.2-177.50110.5K326 I392 T394K311-K326 WeakPolarHBondContact O-CE 3.46Å; K311-I392 HydrophobicContact CD-CG2 4.41Å; K311-I392 PolarHBondContact N-O 3.25Å; K311-T394 HydrophobicContact CG-CG2 4.42Å
312L89.1Confident86.2Confident47 Ų4756.8 Ų56.825%0.24627%0.271CS..  trans-59145.2166.2-63176.1000110N314 L323 K326 E343L312-N314 VanDerWaalsContact C-N 3.26Å; L312-L323 WeakPolarHBondContact CD1-O 3.39Å; L312-K326 HydrophobicContact CD2-CB 4.08Å; L312-E343 HydrophobicContact CD2-CB 4.26Å; L312-E343 HydrophobicContact CD2-CG 4.11Å
313R85.5Confident85.7Confident61 Ų6158 Ų5823%0.2328%0.278CS..  trans-83.7-6.1171.7-68.8-179.6-170.7-165.85.1112E343 E389 L390 L507R313-E343 VanDerWaalsContact N-CD 3.33Å; R313-E343 PolarHBondContact N-OE1 2.52Å; R313-E343 PolarHBondContact N-OE2 2.79Å; R313-E389 PolarHBondContact NH2-O 3.27Å; R313-L390 PolarHBondContact NH2-O 3.42Å; R313-L507 VanDerWaalsContact NH1-CD1 3.33Å
314N78.8Confident85.2Confident131 Ų13165.2 Ų65.270%0.70132%0.316SS*.  trans57.348-176.9-64.5-25.5000111.6L312 E343L312-N314 VanDerWaalsContact C-N 3.26Å; N314-E343 PolarHBondContact N-OE1 3.2Å
315C69.7Low84.9Confident33 Ų3364.1 Ų64.122%0.22331%0.312CS..  trans-73.1148.6174.3-630000110.7E317 H344C315-E317 PolarHBondContact O-N 2.81Å; C315-E317 VanDerWaalsContact O-N 3.16Å; C315-H344 PolarHBondContact SG-NE2 2.93Å; C315-H344 VanDerWaalsContact SG-NE2 3.4Å
316K67.8Low84.7Confident189 Ų18963.2 Ų63.282%0.82231%0.308SS*.SBendtrans-67.3-7.8175.6-69.8-176.2178.5178.10113.9V510K316-V510 HydrophobicContact CG-CG2 4.42Å
317E68.2Low84.6Confident79 Ų7963.2 Ų63.237%0.36931%0.308SS..SBendtrans-75.4151.4-178.4-64.7-175.8-178.500110.9C315 S319 H344 R346C315-E317 PolarHBondContact O-N 2.81Å; C315-E317 VanDerWaalsContact O-N 3.16Å; E317-S319 PolarHBondContact O-N 2.86Å; E317-H344 IonicContact OE2-CD2 2.89Å; E317-R346 IonicContact OE1-CZ 2.7Å; E317-R346 VanDerWaalsContact OE1-CZ 3.22Å; E317-R346 IonicContact OE1-NH1 3.63Å; E317-R346 PolarHBondContact OE1-NH1 3.36Å; E317-R346 IonicContact OE1-NH2 3.19Å; E317-R346 PolarHBondContact OE1-NH2 2.75Å; E317-R346 IonicContact OE2-CZ 3.15Å; E317-R346 IonicContact OE2-NH1 2.8Å; E317-R346 IonicContact OE2-NH2 2.93Å
318E69.4Low84.7Confident160 Ų16061.3 Ų61.375%0.74830%0.296SS*.PPolyproline II helixtrans-64.9131.8172.1-68.2-172.9159.800110.2M345E318-M345 VanDerWaalsContact O-CG 3.26Å; E318-M345 WeakPolarHBondContact O-CG 3.14Å
319S78Confident84.8Confident43 Ų4360.6 Ų60.630%0.30129%0.291SS..PPolyproline II helixtrans-75.1139.1175.5-173.90000111.5E317 V321 T342 E343E317-S319 PolarHBondContact O-N 2.86Å; S319-V321 WeakPolarHBondContact CB-O 3.41Å; S319-V321 PolarHBondContact O-N 2.8Å; S319-V321 PolarHBondContact OG-N 3.09Å; S319-V321 PolarHBondContact OG-O 2.82Å; S319-T342 PolarHBondContact OG-O 3.06Å; S319-E343 WeakPolarHBondContact CA-O 3.4Å
320M81.7Confident85Confident13 Ų1360.5 Ų60.56%0.06429%0.291CS..SBendtrans-56.3-36.4173.5-62.9168.561.200111.4I281 Y292 L294 F329 H344 M345I281-M320 HydrophobicContact CD1-CE 3Å; I281-M320 HydrophobicContact CG1-CE 4.48Å; Y292-M320 HydrophobicContact CD1-CE 3.66Å; Y292-M320 HydrophobicContact CD1-CG 4.19Å; Y292-M320 HydrophobicContact CE1-CE 4.07Å; Y292-M320 HydrophobicContact CE1-CG 4.1Å; L294-M320 HydrophobicContact CD1-CE 4.31Å; L294-M320 HydrophobicContact CD2-CE 3.89Å; L294-M320 HydrophobicContact CG-CE 4.39Å; M320-F329 HydrophobicContact CE-CZ 4.14Å; M320-H344 WeakPolarHBondContact CG-O 3.23Å; M320-M345 HydrophobicContact CB-SD 4.04Å; M320-M345 HydrophobicContact CG-CG 4.44Å; M320-M345 HydrophobicContact CG-SD 3.38Å; M320-M345 WeakPolarHBondContact CG-SD 3.36Å
321V82Confident85.2Confident3 Ų360.2 Ų60.22%0.01829%0.29CS..SBendtrans-137.9132.4179.7-168.10000109.1I259 Q283 S319 L323I259-V321 HydrophobicContact CD1-CB 4.17Å; I259-V321 HydrophobicContact CD1-CG1 4.21Å; I259-V321 HydrophobicContact CD1-CG2 3.86Å; I259-V321 HydrophobicContact CG1-CG1 4.23Å; I259-V321 HydrophobicContact CG1-CG2 4.25Å; Q283-V321 HydrophobicContact CB-CG1 4.43Å; Q283-V321 VanDerWaalsContact CD-CG1 3.5Å; Q283-V321 HydrophobicContact CG-CG1 3.88Å; S319-V321 WeakPolarHBondContact CB-O 3.41Å; S319-V321 PolarHBondContact O-N 2.8Å; S319-V321 PolarHBondContact OG-N 3.09Å; S319-V321 PolarHBondContact OG-O 2.82Å; V321-L323 HydrophobicContact CG1-CD1 4.1Å; V321-L323 HydrophobicContact CG1-CG 3.92Å; V321-L323 PolarHBondContact O-N 2.87Å
322K82.8Confident85.4Confident187 Ų18754.9 Ų54.981%0.81327%0.267SS*.  trans-77.591.2177.4-62.5-175.7-179.1-176.10110.1
323L86.2Confident85.6Confident26 Ų2652.7 Ų52.714%0.13626%0.255CS..  trans-134150.7174.4-63.7174.8000108.8I259 L312 V321 Y325I259-L323 HydrophobicContact CD1-CD1 3.81Å; I259-L323 HydrophobicContact CG1-CD1 4.31Å; L312-L323 WeakPolarHBondContact CD1-O 3.39Å; V321-L323 HydrophobicContact CG1-CD1 4.1Å; V321-L323 HydrophobicContact CG1-CG 3.92Å; V321-L323 PolarHBondContact O-N 2.87Å; L323-Y325 HydrophobicContact CB-CE2 4.49Å; L323-Y325 WeakPolarHBondContact CB-O 3.37Å; L323-Y325 HydrophobicContact CD1-CE2 3.99Å; L323-Y325 PolarHBondContact O-N 3.21Å
324D87.9Confident85.9Confident152 Ų15253.1 Ų53.181%0.81326%0.26SS*.SBendtrans-792.2178.6-58.6-39.6000113.4
325Y91.7Very high86.6Confident25 Ų2548.3 Ų48.310%0.09824%0.236CC..EExtended strand (participates in β ladder)trans-145.4171.4-179.654.1-90.9000108.3D256 N258 T309 L323 F327 W399D256-Y325 WeakPolarHBondContact OD2-CE2 3.43Å; D256-Y325 PolarHBondContact OD2-OH 2.84Å; N258-Y325 PolarHBondContact ND2-OH 3.3Å; T309-Y325 HydrophobicContact CG2-CD2 3.86Å; T309-Y325 HydrophobicContact CG2-CG 4.06Å; L323-Y325 HydrophobicContact CB-CE2 4.49Å; L323-Y325 WeakPolarHBondContact CB-O 3.37Å; L323-Y325 HydrophobicContact CD1-CE2 3.99Å; L323-Y325 PolarHBondContact O-N 3.21Å; Y325-F327 HydrophobicContact CD2-CE2 4.07Å; Y325-F327 HydrophobicContact CD2-CZ 4.33Å; Y325-F327 HydrophobicContact CE2-CD2 4.3Å; Y325-F327 AromaticContact CE2-CE2 3.57Å; Y325-F327 HydrophobicContact CE2-CE2 3.57Å; Y325-F327 AromaticContact CE2-CZ 4Å; Y325-F327 HydrophobicContact CE2-CZ 4Å; Y325-W399 HydrophobicContact CE1-CB 3.74Å; Y325-W399 HydrophobicContact CE1-CG 4.25Å; Y325-W399 HydrophobicContact CE2-CB 4.49Å; Y325-W399 AromaticContact CE2-CD1 3.73Å; Y325-W399 HydrophobicContact CE2-CG 4.27Å; Y325-W399 AromaticContact CZ-CD1 3.71Å; Y325-W399 AromaticContact CZ-CG 3.9Å; Y325-W399 WeakPolarHBondContact OH-CB 3.07Å
326K92.6Very high87.8Confident0 Ų048.3 Ų48.30%023%0.233CC..EExtended strand (participates in β ladder)trans-131.5156.3175.670.3-173.8-174.6173.80113.4F310 K311 L312 D341 T342 E343F310-K326 HydrophobicContact CB-CG 3.77Å; F310-K326 PolarHBondContact N-O 3.3Å; F310-K326 PolarHBondContact O-N 2.82Å; K311-K326 WeakPolarHBondContact O-CE 3.46Å; L312-K326 HydrophobicContact CD2-CB 4.08Å; K326-D341 HydrophobicContact CD-CB 4.26Å; K326-D341 IonicContact NZ-OD2 2.63Å; K326-D341 PolarHBondContact NZ-OD2 2.99Å; K326-T342 VanDerWaalsContact CA-OG1 3.23Å; K326-T342 WeakPolarHBondContact CA-OG1 3.4Å; K326-T342 VanDerWaalsContact CB-OG1 3.28Å; K326-T342 WeakPolarHBondContact CB-OG1 3.47Å; K326-E343 HydrophobicContact CB-CB 4.33Å; K326-E343 HydrophobicContact CD-CB 3.76Å; K326-E343 WeakPolarHBondContact CD-OE2 3.39Å; K326-E343 WeakPolarHBondContact CE-OE2 3.22Å; K326-E343 IonicContact NZ-OE2 2.69Å; K326-E343 PolarHBondContact NZ-OE2 3.42Å
327F95.4Very high89.1Confident0 Ų039.3 Ų39.30%019%0.194CC..EExtended strand (participates in β ladder)trans-111.9156.5164.6-67-69000110.6P255 D256 F305 T309 Y325 D341 T342 W399P255-F327 HydrophobicContact CB-CE1 4.03Å; P255-F327 HydrophobicContact CB-CZ 4.11Å; P255-F327 HydrophobicContact CG-CD1 4.04Å; P255-F327 HydrophobicContact CG-CE1 3.73Å; P255-F327 HydrophobicContact CG-CZ 4.17Å; D256-F327 HydrophobicContact CB-CE2 4.06Å; D256-F327 HydrophobicContact CB-CZ 4.11Å; D256-F327 VanDerWaalsContact CG-CE2 3.46Å; F305-F327 HydrophobicContact CD1-CB 3.74Å; F305-F327 HydrophobicContact CD1-CG 4.3Å; F305-F327 HydrophobicContact CE1-CB 3.92Å; T309-F327 HydrophobicContact CG2-CE1 4.17Å; T309-F327 HydrophobicContact CG2-CZ 4.42Å; T309-F327 WeakPolarHBondContact OG1-CE1 3.49Å; Y325-F327 HydrophobicContact CD2-CE2 4.07Å; Y325-F327 HydrophobicContact CD2-CZ 4.33Å; Y325-F327 HydrophobicContact CE2-CD2 4.3Å; Y325-F327 AromaticContact CE2-CE2 3.57Å; Y325-F327 HydrophobicContact CE2-CE2 3.57Å; Y325-F327 AromaticContact CE2-CZ 4Å; Y325-F327 HydrophobicContact CE2-CZ 4Å; F327-D341 CarbonylContact O-C 3.58Å; F327-D341 WeakPolarHBondContact O-CA 3.26Å; F327-D341 WeakPolarHBondContact O-CB 3.15Å; F327-T342 HydrophobicContact CB-CG2 4.14Å; F327-T342 PolarHBondContact N-OG1 3.13Å; F327-T342 VanDerWaalsContact N-OG1 3.07Å; F327-T342 PolarHBondContact O-N 2.79Å; F327-W399 AromaticContact CZ-CE2 3.95Å; F327-W399 HydrophobicContact CZ-CZ2 4.14Å; F327-W399 AromaticContact CZ-NE1 3.67Å
328V96.4Very high90.4Very high0 Ų036.5 Ų36.50%018%0.181CC..EExtended strand (participates in β ladder)trans-103.8144.4166.2172.80000108.4C306 F310 V339 Y340 D341 I348 F364 L390C306-V328 HydrophobicContact CB-CB 4.04Å; C306-V328 HydrophobicContact CB-CG1 4.45Å; C306-V328 VanDerWaalsContact CB-O 3.24Å; C306-V328 WeakPolarHBondContact CB-O 3.5Å; C306-V328 PolarHBondContact N-O 2.75Å; F310-V328 HydrophobicContact CD2-CG2 3.99Å; F310-V328 HydrophobicContact CE2-CB 4.15Å; F310-V328 HydrophobicContact CE2-CG2 3.86Å; V328-V339 HydrophobicContact CG1-CG1 3.58Å; V328-Y340 CarbonylContact C-O 3.56Å; V328-Y340 VanDerWaalsContact CA-O 3.28Å; V328-Y340 WeakPolarHBondContact CA-O 3.44Å; V328-Y340 WeakPolarHBondContact CG1-O 3.13Å; V328-D341 HydrophobicContact CG2-CB 4.01Å; V328-I348 HydrophobicContact CG2-CD1 4.42Å; V328-F364 HydrophobicContact CG1-CE1 4.42Å; V328-F364 HydrophobicContact CG1-CZ 4.17Å; V328-L390 HydrophobicContact CB-CD1 4.21Å; V328-L390 HydrophobicContact CG1-CD1 3.95Å; V328-L390 HydrophobicContact CG1-CD2 3.99Å; V328-L390 HydrophobicContact CG2-CB 4.13Å; V328-L390 HydrophobicContact CG2-CD1 4.19Å; V328-L390 HydrophobicContact CG2-CD2 4.18Å; V328-L390 HydrophobicContact CG2-CG 4.39Å
329F97.9Very high91.7Very high1 Ų129 Ų290%0.00415%0.146CC..EExtended strand (participates in β ladder)trans-145.5152.7174.859.7-82.2000111.4V261 I281 L294 V303 R304 F305 M320 I331 Y340 T342V261-F329 HydrophobicContact CG1-CD2 4.46Å; V261-F329 HydrophobicContact CG1-CE2 4.15Å; V261-F329 HydrophobicContact CG2-CD2 4.44Å; V261-F329 HydrophobicContact CG2-CE2 4.23Å; V261-F329 HydrophobicContact CG2-CZ 4.45Å; I281-F329 HydrophobicContact CD1-CZ 4.19Å; L294-F329 HydrophobicContact CD1-CE2 3.93Å; L294-F329 HydrophobicContact CD1-CZ 4.07Å; V303-F329 HydrophobicContact CG1-CD2 4.21Å; R304-F329 CarbonylContact O-C 3.55Å; R304-F329 VanDerWaalsContact O-CA 3.23Å; R304-F329 WeakPolarHBondContact O-CA 3.45Å; R304-F329 WeakPolarHBondContact O-CB 3.47Å; F305-F329 HydrophobicContact CB-CB 4.47Å; F305-F329 HydrophobicContact CD1-CB 3.76Å; F305-F329 HydrophobicContact CD1-CD1 4.31Å; F305-F329 HydrophobicContact CD1-CG 4.37Å; F305-F329 HydrophobicContact CD2-CB 4.18Å; F305-F329 HydrophobicContact CE1-CB 3.94Å; F305-F329 AromaticContact CE1-CD1 3.74Å; F305-F329 HydrophobicContact CE1-CD1 3.74Å; F305-F329 HydrophobicContact CE1-CG 4.05Å; F305-F329 HydrophobicContact CE2-CB 4.36Å; F305-F329 HydrophobicContact CG-CB 3.9Å; F305-F329 HydrophobicContact CZ-CB 4.25Å; F305-F329 HydrophobicContact CZ-CD1 4.09Å; F305-F329 HydrophobicContact CZ-CG 4.17Å; M320-F329 HydrophobicContact CE-CZ 4.14Å; F329-I331 HydrophobicContact CD2-CD1 4.36Å; F329-I331 HydrophobicContact CD2-CG1 4.06Å; F329-I331 HydrophobicContact CE2-CD1 3.9Å; F329-I331 HydrophobicContact CE2-CG1 4.1Å; F329-Y340 HydrophobicContact CE2-CD2 4.04Å; F329-Y340 AromaticContact CE2-CG 3.98Å; F329-Y340 HydrophobicContact CE2-CG 3.98Å; F329-Y340 AromaticContact CZ-CG 3.99Å; F329-Y340 HydrophobicContact CZ-CG 3.99Å; F329-Y340 PolarHBondContact N-O 2.93Å; F329-Y340 PolarHBondContact O-N 2.81Å; F329-T342 HydrophobicContact CD1-CG2 4.25Å; F329-T342 HydrophobicContact CE1-CG2 3.98Å
330A97.9Very high92.5Very high0 Ų027.4 Ų27.40%013%0.133CC..EExtended strand (participates in β ladder)trans-107137.9176.600000109.9V303 R304 V337 F338 V362 F364 L371V303-A330 WeakPolarHBondContact CA-O 3.3Å; R304-A330 PolarHBondContact N-O 3.31Å; R304-A330 PolarHBondContact O-N 2.53Å; A330-V337 HydrophobicContact CB-CG1 4.13Å; A330-F338 CarbonylContact C-O 3.56Å; A330-F338 VanDerWaalsContact CA-O 3.23Å; A330-F338 WeakPolarHBondContact CA-O 3.47Å; A330-V362 HydrophobicContact CB-CG2 4.19Å; A330-F364 HydrophobicContact CB-CE2 3.53Å; A330-F364 HydrophobicContact CB-CZ 3.78Å; A330-L371 HydrophobicContact CB-CD1 4.19Å; A330-L371 HydrophobicContact CB-CD2 4.11Å
331I97.7Very high93.1Very high3 Ų326.8 Ų26.82%0.01513%0.13CC..EExtended strand (participates in β ladder)trans-114.5120.2169.6-60.9-179.7000107.6V261 L294 T300 V303 F329 F338 Y340V261-I331 HydrophobicContact CG1-CD1 4.29Å; L294-I331 HydrophobicContact CD1-CD1 3.55Å; T300-I331 HydrophobicContact CG2-CG2 3.46Å; T300-I331 VanDerWaalsContact CG2-CG2 3.46Å; V303-I331 HydrophobicContact CG1-CG1 4.26Å; V303-I331 HydrophobicContact CG2-CG1 4.23Å; F329-I331 HydrophobicContact CD2-CD1 4.36Å; F329-I331 HydrophobicContact CD2-CG1 4.06Å; F329-I331 HydrophobicContact CE2-CD1 3.9Å; F329-I331 HydrophobicContact CE2-CG1 4.1Å; I331-F338 PolarHBondContact N-O 3.35Å; I331-F338 PolarHBondContact O-N 2.9Å; I331-Y340 HydrophobicContact CD1-CD2 3.93Å; I331-Y340 HydrophobicContact CD1-CE2 3.83Å; I331-Y340 HydrophobicContact CG1-CD2 4.22Å; I331-Y340 HydrophobicContact CG1-CE2 4.35Å
332L96.4Very high93.6Very high0 Ų026.8 Ų26.80%013%0.13CC..EExtended strand (participates in β ladder)trans-92.6140.2178.8-167.665.7000110.5T300 I301 S302 V337 L359 V362 T373T300-L332 CarbonylContact C-O 3.35Å; T300-L332 WeakPolarHBondContact CA-O 3.22Å; I301-L332 HydrophobicContact CD1-CD2 3.89Å; I301-L332 HydrophobicContact CD1-CG 4.08Å; I301-L332 HydrophobicContact CG1-CB 4.11Å; I301-L332 HydrophobicContact CG1-CD2 4.03Å; I301-L332 HydrophobicContact CG1-CG 3.96Å; I301-L332 PolarHBondContact N-O 3.12Å; S302-L332 PolarHBondContact O-N 3.4Å; L332-V337 HydrophobicContact CD1-CG2 3.6Å; L332-L359 HydrophobicContact CD1-CB 3.77Å; L332-L359 HydrophobicContact CD1-CD1 3.46Å; L332-L359 VanDerWaalsContact CD1-CD1 3.46Å; L332-L359 HydrophobicContact CD1-CG 4.22Å; L332-L359 HydrophobicContact CD2-CB 4.27Å; L332-L359 HydrophobicContact CG-CB 4.2Å; L332-V362 HydrophobicContact CB-CG1 3.91Å; L332-V362 HydrophobicContact CD1-CB 4.25Å; L332-V362 HydrophobicContact CD2-CB 4.17Å; L332-V362 HydrophobicContact CD2-CG1 4.12Å; L332-V362 HydrophobicContact CG-CG1 4.44Å; L332-T373 HydrophobicContact CD1-CG2 4.26Å
333S94.1Very high93.9Very high0 Ų018.4 Ų18.40%09%0.094CC..EExtended strand (participates in β ladder)trans-123.8-178.7163.960.50000108.9R299 S335 M336R299-S333 WeakPolarHBondContact O-CA 3.5Å; R299-S333 VanDerWaalsContact O-CB 3.24Å; R299-S333 WeakPolarHBondContact O-CB 3.43Å; S333-S335 VanDerWaalsContact C-N 3.25Å; S333-S335 PolarHBondContact O-N 3.08Å; S333-M336 PolarHBondContact N-O 3.43Å; S333-M336 VanDerWaalsContact OG-CA 3.31Å; S333-M336 WeakPolarHBondContact OG-CA 3.32Å; S333-M336 VanDerWaalsContact OG-CB 3.27Å; S333-M336 WeakPolarHBondContact OG-CB 3.34Å; S333-M336 PolarHBondContact OG-N 3Å; S333-M336 PolarHBondContact OG-O 2.96Å
334E91.8Very high94Very high70 Ų7017.2 Ų17.233%0.3279%0.088SC..SBendtrans-60.8-33179-69-179.3-175.800112.7P358 L359E334-P358 HydrophobicContact CB-CB 4.22Å; E334-P358 HydrophobicContact CG-CB 4.48Å; E334-P358 CarbonylContact O-C 3.48Å; E334-P358 VanDerWaalsContact O-CA 3.26Å; E334-P358 WeakPolarHBondContact O-CA 3.36Å; E334-L359 PolarHBondContact O-N 3.11Å
335S92.9Very high93.8Very high30 Ų3013 Ų1321%0.216%0.064CC..SBendtrans-123.8-10.4-176.3780000115.1E298 S333 N353E298-S335 PolarHBondContact OE1-OG 2.75Å; E298-S335 PolarHBondContact OE2-N 2.97Å; E298-S335 PolarHBondContact OE2-OG 3.24Å; S333-S335 VanDerWaalsContact C-N 3.25Å; S333-S335 PolarHBondContact O-N 3.08Å; S335-N353 PolarHBondContact O-N 3.33Å
336M94.2Very high93.6Very high33 Ų3316.4 Ų16.416%0.1638%0.077CC..EExtended strand (participates in β ladder)trans-132148.8-172.5-40.8-168.7177.700113.3P297 S333 F338 I351 A352P297-M336 HydrophobicContact CG-CE 4.44Å; P297-M336 HydrophobicContact CG-SD 4.06Å; S333-M336 PolarHBondContact N-O 3.43Å; S333-M336 VanDerWaalsContact OG-CA 3.31Å; S333-M336 WeakPolarHBondContact OG-CA 3.32Å; S333-M336 VanDerWaalsContact OG-CB 3.27Å; S333-M336 WeakPolarHBondContact OG-CB 3.34Å; S333-M336 PolarHBondContact OG-N 3Å; S333-M336 PolarHBondContact OG-O 2.96Å; M336-F338 HydrophobicContact CB-CE2 4.14Å; M336-F338 HydrophobicContact SD-CE2 4.26Å; M336-F338 HydrophobicContact SD-CZ 3.99Å; M336-I351 CarbonylContact C-O 3.46Å; M336-I351 VanDerWaalsContact CA-O 3.3Å; M336-I351 WeakPolarHBondContact CA-O 3.32Å; M336-A352 HydrophobicContact CB-CB 4.16Å; M336-A352 HydrophobicContact CE-CB 4.26Å; M336-A352 HydrophobicContact CG-CB 3.68Å; M336-A352 HydrophobicContact SD-CB 4.02Å
337V95.6Very high93.6Very high0 Ų018 Ų180%09%0.087CC..EExtended strand (participates in β ladder)trans-116.4119.9166-175.90000108.3A330 L332 C350 I351 Y354 L359 L371 T373A330-V337 HydrophobicContact CB-CG1 4.13Å; L332-V337 HydrophobicContact CD1-CG2 3.6Å; V337-C350 WeakPolarHBondContact O-CA 3.24Å; V337-I351 PolarHBondContact N-O 3.5Å; V337-I351 PolarHBondContact O-N 2.85Å; V337-Y354 HydrophobicContact CG2-CE1 4.48Å; V337-Y354 WeakPolarHBondContact CG2-OH 3.31Å; V337-L359 HydrophobicContact CG2-CD1 3.93Å; V337-L371 HydrophobicContact CG1-CD2 3.87Å; V337-T373 HydrophobicContact CG2-CG2 3.58Å
338F96Very high93.4Very high20 Ų2018.6 Ų18.69%0.0889%0.09CC..EExtended strand (participates in β ladder)trans-96.6135.8167.5-66.9-81.7000109.8P297 A330 I331 M336 Y340 P347 C350P297-F338 HydrophobicContact CG-CE2 4.45Å; P297-F338 HydrophobicContact CG-CZ 4.08Å; A330-F338 CarbonylContact C-O 3.56Å; A330-F338 VanDerWaalsContact CA-O 3.23Å; A330-F338 WeakPolarHBondContact CA-O 3.47Å; I331-F338 PolarHBondContact N-O 3.35Å; I331-F338 PolarHBondContact O-N 2.9Å; M336-F338 HydrophobicContact CB-CE2 4.14Å; M336-F338 HydrophobicContact SD-CE2 4.26Å; M336-F338 HydrophobicContact SD-CZ 3.99Å; F338-Y340 HydrophobicContact CB-CD2 4Å; F338-Y340 HydrophobicContact CB-CE2 3.39Å; F338-Y340 HydrophobicContact CG-CE2 4.17Å; F338-P347 HydrophobicContact CD1-CB 4.07Å; F338-P347 HydrophobicContact CD1-CG 4.17Å; F338-C350 HydrophobicContact CD1-CB 3.89Å; F338-C350 HydrophobicContact CE1-CB 3.98Å; F338-C350 WeakPolarHBondContact CE1-SG 3.39Å
339V96.3Very high93.2Very high2 Ų218.7 Ų18.71%0.0129%0.091CC..EExtended strand (participates in β ladder)trans-109125.5171.7-174.60000107.5V328 P347 I348 G349 L371V328-V339 HydrophobicContact CG1-CG1 3.58Å; V339-P347 CarbonylContact O-C 3.52Å; V339-P347 WeakPolarHBondContact O-CA 3.34Å; V339-I348 HydrophobicContact CB-CG1 4.22Å; V339-I348 HydrophobicContact CG1-CD1 3.98Å; V339-I348 HydrophobicContact CG1-CG1 3.86Å; V339-I348 VanDerWaalsContact O-CG1 3.28Å; V339-I348 WeakPolarHBondContact O-CG1 3.06Å; V339-I348 PolarHBondContact O-N 2.91Å; V339-G349 PolarHBondContact N-O 2.88Å; V339-G349 PolarHBondContact O-N 3.33Å; V339-G349 VanDerWaalsContact O-N 3.13Å; V339-L371 HydrophobicContact CG2-CD2 4.1Å
340Y95.5Very high93Very high10 Ų1019.7 Ų19.74%0.03910%0.098CC..EExtended strand (participates in β ladder)trans-119.8156.2177.6-71.5-89.7000109.4L294 V328 F329 I331 F338 P347L294-Y340 HydrophobicContact CD1-CD1 4.08Å; L294-Y340 HydrophobicContact CD1-CD2 4.15Å; L294-Y340 HydrophobicContact CD1-CE1 4.01Å; L294-Y340 HydrophobicContact CD1-CE2 4.07Å; L294-Y340 HydrophobicContact CD1-CG 4.16Å; L294-Y340 HydrophobicContact CD2-CD1 4.07Å; L294-Y340 HydrophobicContact CD2-CE1 3.67Å; L294-Y340 HydrophobicContact CG-CE1 4.35Å; V328-Y340 CarbonylContact C-O 3.56Å; V328-Y340 VanDerWaalsContact CA-O 3.28Å; V328-Y340 WeakPolarHBondContact CA-O 3.44Å; V328-Y340 WeakPolarHBondContact CG1-O 3.13Å; F329-Y340 HydrophobicContact CE2-CD2 4.04Å; F329-Y340 AromaticContact CE2-CG 3.98Å; F329-Y340 HydrophobicContact CE2-CG 3.98Å; F329-Y340 AromaticContact CZ-CG 3.99Å; F329-Y340 HydrophobicContact CZ-CG 3.99Å; F329-Y340 PolarHBondContact N-O 2.93Å; F329-Y340 PolarHBondContact O-N 2.81Å; I331-Y340 HydrophobicContact CD1-CD2 3.93Å; I331-Y340 HydrophobicContact CD1-CE2 3.83Å; I331-Y340 HydrophobicContact CG1-CD2 4.22Å; I331-Y340 HydrophobicContact CG1-CE2 4.35Å; F338-Y340 HydrophobicContact CB-CD2 4Å; F338-Y340 HydrophobicContact CB-CE2 3.39Å; F338-Y340 HydrophobicContact CG-CE2 4.17Å; Y340-P347 HydrophobicContact CD1-CB 4.04Å; Y340-P347 VanDerWaalsContact CE1-CA 3.48Å; Y340-P347 HydrophobicContact CE1-CB 3.61Å; Y340-P347 VanDerWaalsContact CE1-CD 3.46Å; Y340-P347 HydrophobicContact CE1-CG 3.99Å; Y340-P347 VanDerWaalsContact CE1-N 3.28Å; Y340-P347 HydrophobicContact CE2-CB 4.14Å; Y340-P347 HydrophobicContact CG-CB 4.46Å
341D93.6Very high92.8Very high0 Ų019.7 Ų19.70%010%0.098CC..EExtended strand (participates in β ladder)trans-113.8168.7156.5696.7000109.7K326 F327 V328 E343 H344 I348K326-D341 HydrophobicContact CD-CB 4.26Å; K326-D341 IonicContact NZ-OD2 2.63Å; K326-D341 PolarHBondContact NZ-OD2 2.99Å; F327-D341 CarbonylContact O-C 3.58Å; F327-D341 WeakPolarHBondContact O-CA 3.26Å; F327-D341 WeakPolarHBondContact O-CB 3.15Å; V328-D341 HydrophobicContact CG2-CB 4.01Å; D341-E343 PolarHBondContact O-N 3.41Å; D341-E343 PolarHBondContact OD1-N 2.94Å; D341-H344 VanDerWaalsContact OD1-CB 3.29Å; D341-H344 WeakPolarHBondContact OD1-CB 3.26Å; D341-H344 IonicContact OD1-CG 3.07Å; D341-H344 PolarHBondContact OD1-N 2.77Å; D341-H344 IonicContact OD1-ND1 2.91Å; D341-H344 PolarHBondContact OD1-ND1 3.29Å; D341-H344 IonicContact OD2-CE1 2.79Å; D341-H344 PolarHBondContact OD2-CE1 2.85Å; D341-H344 IonicContact OD2-ND1 3.22Å; D341-H344 PolarHBondContact OD2-ND1 3.19Å; D341-I348 HydrophobicContact CB-CD1 4.31Å
342T92.7Very high92.4Very high3 Ų319.9 Ų19.92%0.01810%0.1CC..SBendtrans-82.2-1.9179.458.30000113I259 F305 S319 K326 F327 F329I259-T342 HydrophobicContact CD1-CG2 3.46Å; I259-T342 VanDerWaalsContact CD1-CG2 3.46Å; F305-T342 HydrophobicContact CE1-CG2 4.35Å; S319-T342 PolarHBondContact OG-O 3.06Å; K326-T342 VanDerWaalsContact CA-OG1 3.23Å; K326-T342 WeakPolarHBondContact CA-OG1 3.4Å; K326-T342 VanDerWaalsContact CB-OG1 3.28Å; K326-T342 WeakPolarHBondContact CB-OG1 3.47Å; F327-T342 HydrophobicContact CB-CG2 4.14Å; F327-T342 PolarHBondContact N-OG1 3.13Å; F327-T342 VanDerWaalsContact N-OG1 3.07Å; F327-T342 PolarHBondContact O-N 2.79Å; F329-T342 HydrophobicContact CD1-CG2 4.25Å; F329-T342 HydrophobicContact CE1-CG2 3.98Å
343E89.9Confident91.7Very high12 Ų1223.6 Ų23.66%0.05612%0.12CC..SBendtrans-94.7-34.8-178.6-176178.4-159.800111.7L312 R313 N314 S319 K326 D341L312-E343 HydrophobicContact CD2-CB 4.26Å; L312-E343 HydrophobicContact CD2-CG 4.11Å; R313-E343 VanDerWaalsContact N-CD 3.33Å; R313-E343 PolarHBondContact N-OE1 2.52Å; R313-E343 PolarHBondContact N-OE2 2.79Å; N314-E343 PolarHBondContact N-OE1 3.2Å; S319-E343 WeakPolarHBondContact CA-O 3.4Å; K326-E343 HydrophobicContact CB-CB 4.33Å; K326-E343 HydrophobicContact CD-CB 3.76Å; K326-E343 WeakPolarHBondContact CD-OE2 3.39Å; K326-E343 WeakPolarHBondContact CE-OE2 3.22Å; K326-E343 IonicContact NZ-OE2 2.69Å; K326-E343 PolarHBondContact NZ-OE2 3.42Å; D341-E343 PolarHBondContact O-N 3.41Å; D341-E343 PolarHBondContact OD1-N 2.94Å
344H87.7Confident91.1Very high1 Ų124.3 Ų24.31%0.00512%0.123CC..  trans-106.5136.4-174.9-60.782.9000112.8C315 E317 M320 D341 R346 I348C315-H344 PolarHBondContact SG-NE2 2.93Å; C315-H344 VanDerWaalsContact SG-NE2 3.4Å; E317-H344 IonicContact OE2-CD2 2.89Å; M320-H344 WeakPolarHBondContact CG-O 3.23Å; D341-H344 VanDerWaalsContact OD1-CB 3.29Å; D341-H344 WeakPolarHBondContact OD1-CB 3.26Å; D341-H344 IonicContact OD1-CG 3.07Å; D341-H344 PolarHBondContact OD1-N 2.77Å; D341-H344 IonicContact OD1-ND1 2.91Å; D341-H344 PolarHBondContact OD1-ND1 3.29Å; D341-H344 IonicContact OD2-CE1 2.79Å; D341-H344 PolarHBondContact OD2-CE1 2.85Å; D341-H344 IonicContact OD2-ND1 3.22Å; D341-H344 PolarHBondContact OD2-ND1 3.19Å; H344-R346 PolarHBondContact O-N 2.91Å; H344-I348 HydrophobicContact CB-CG2 4.43Å
345M84.5Confident90.9Very high63 Ų6322.1 Ų22.131%0.3111%0.113SC..SBendtrans-69.9-3.1179-63.3-61.6-10400115Y292 E318 M320Y292-M345 HydrophobicContact CD2-CE 3.77Å; Y292-M345 HydrophobicContact CD2-SD 4.19Å; Y292-M345 HydrophobicContact CE1-SD 4.06Å; Y292-M345 HydrophobicContact CE2-CE 3.03Å; Y292-M345 HydrophobicContact CE2-SD 3.59Å; Y292-M345 VanDerWaalsContact CE2-SD 3.59Å; Y292-M345 VanDerWaalsContact CZ-CE 3.48Å; Y292-M345 WeakPolarHBondContact OH-CB 3.36Å; Y292-M345 PolarHBondContact OH-O 3.34Å; Y292-M345 VanDerWaalsContact OH-O 3.06Å; E318-M345 VanDerWaalsContact O-CG 3.26Å; E318-M345 WeakPolarHBondContact O-CG 3.14Å; M320-M345 HydrophobicContact CB-SD 4.04Å; M320-M345 HydrophobicContact CG-CG 4.44Å; M320-M345 HydrophobicContact CG-SD 3.38Å; M320-M345 WeakPolarHBondContact CG-SD 3.36Å
346R87.2Confident90.7Very high97 Ų9725.6 Ų25.637%0.36614%0.137SC..SBendtrans-129.4154.2-17663.7178175.8-112.7-8.5110.7E317 H344 I348 I505E317-R346 IonicContact OE1-CZ 2.7Å; E317-R346 VanDerWaalsContact OE1-CZ 3.22Å; E317-R346 IonicContact OE1-NH1 3.63Å; E317-R346 PolarHBondContact OE1-NH1 3.36Å; E317-R346 IonicContact OE1-NH2 3.19Å; E317-R346 PolarHBondContact OE1-NH2 2.75Å; E317-R346 IonicContact OE2-CZ 3.15Å; E317-R346 IonicContact OE2-NH1 2.8Å; E317-R346 IonicContact OE2-NH2 2.93Å; H344-R346 PolarHBondContact O-N 2.91Å; R346-I348 PolarHBondContact O-N 3.31Å; R346-I505 HydrophobicContact CG-CD1 4.39Å
347P92Very high90.7Very high34 Ų3425.4 Ų25.422%0.22114%0.14CC..  trans-62.1135.9175.221.9-28.2000110.7F338 V339 Y340 I505F338-P347 HydrophobicContact CD1-CB 4.07Å; F338-P347 HydrophobicContact CD1-CG 4.17Å; V339-P347 CarbonylContact O-C 3.52Å; V339-P347 WeakPolarHBondContact O-CA 3.34Å; Y340-P347 HydrophobicContact CD1-CB 4.04Å; Y340-P347 VanDerWaalsContact CE1-CA 3.48Å; Y340-P347 HydrophobicContact CE1-CB 3.61Å; Y340-P347 VanDerWaalsContact CE1-CD 3.46Å; Y340-P347 HydrophobicContact CE1-CG 3.99Å; Y340-P347 VanDerWaalsContact CE1-N 3.28Å; Y340-P347 HydrophobicContact CE2-CB 4.14Å; Y340-P347 HydrophobicContact CG-CB 4.46Å; P347-I505 WeakPolarHBondContact O-CD1 3.41Å
348I91.7Very high90.6Very high11 Ų1128.2 Ų28.26%0.05616%0.158CC..SBendtrans-83.6-19.9176.163.1169.5000111.9V328 V339 D341 H344 R346 L390 I505 L507V328-I348 HydrophobicContact CG2-CD1 4.42Å; V339-I348 HydrophobicContact CB-CG1 4.22Å; V339-I348 HydrophobicContact CG1-CD1 3.98Å; V339-I348 HydrophobicContact CG1-CG1 3.86Å; V339-I348 VanDerWaalsContact O-CG1 3.28Å; V339-I348 WeakPolarHBondContact O-CG1 3.06Å; V339-I348 PolarHBondContact O-N 2.91Å; D341-I348 HydrophobicContact CB-CD1 4.31Å; H344-I348 HydrophobicContact CB-CG2 4.43Å; R346-I348 PolarHBondContact O-N 3.31Å; I348-L390 HydrophobicContact CD1-CD2 4.07Å; I348-I505 PolarHBondContact O-N 2.83Å; I348-L507 HydrophobicContact CB-CD1 4.33Å; I348-L507 HydrophobicContact CG2-CD1 3.75Å
349G92.2Very high90.5Very high2 Ų227.6 Ų27.62%0.02116%0.156CC..EExtended strand (participates in β ladder)trans-149.6150.3176.400000112.2V339 R503V339-G349 PolarHBondContact N-O 2.88Å; V339-G349 PolarHBondContact O-N 3.33Å; V339-G349 VanDerWaalsContact O-N 3.13Å; G349-R503 WeakPolarHBondContact CA-O 3.44Å
350C93.4Very high90.5Very high22 Ų2228.3 Ų28.315%0.14916%0.161CC..EExtended strand (participates in β ladder)trans-142134.8168.2178.60000109.2V337 F338 R503V337-C350 WeakPolarHBondContact O-CA 3.24Å; F338-C350 HydrophobicContact CD1-CB 3.89Å; F338-C350 HydrophobicContact CE1-CB 3.98Å; F338-C350 WeakPolarHBondContact CE1-SG 3.39Å; C350-R503 PolarHBondContact N-O 2.83Å; C350-R503 PolarHBondContact O-N 3.03Å
351I93.1Very high90.6Very high0 Ų027.9 Ų27.90%016%0.159CC..EExtended strand (participates in β ladder)trans-127123.8176.3-53.4134.3000106.6M1 V3 M336 V337 Y354 I383 V500M1-I351 HydrophobicContact SD-CD1 4.43Å; V3-I351 HydrophobicContact CG2-CG1 4.47Å; V3-I351 HydrophobicContact CG2-CG2 3.65Å; M336-I351 CarbonylContact C-O 3.46Å; M336-I351 VanDerWaalsContact CA-O 3.3Å; M336-I351 WeakPolarHBondContact CA-O 3.32Å; V337-I351 PolarHBondContact N-O 3.5Å; V337-I351 PolarHBondContact O-N 2.85Å; I351-Y354 HydrophobicContact CB-CD1 4.49Å; I351-Y354 HydrophobicContact CB-CE1 4.16Å; I351-Y354 HydrophobicContact CG2-CD1 3.5Å; I351-Y354 HydrophobicContact CG2-CE1 3.52Å; I351-Y354 HydrophobicContact CG2-CG 4.2Å; I351-I383 HydrophobicContact CD1-CB 4.41Å; I351-I383 HydrophobicContact CD1-CD1 3.66Å; I351-I383 HydrophobicContact CD1-CG1 3.82Å; I351-I383 HydrophobicContact CD1-CG2 3.84Å; I351-V500 HydrophobicContact CG2-CG1 4.44Å
352A90.5Very high90.7Very high7 Ų727.9 Ų27.96%0.05816%0.159CC..EExtended strand (participates in β ladder)trans-141.1155.3-174.400000112.4M336 Y354 K501M336-A352 HydrophobicContact CB-CB 4.16Å; M336-A352 HydrophobicContact CE-CB 4.26Å; M336-A352 HydrophobicContact CG-CB 3.68Å; M336-A352 HydrophobicContact SD-CB 4.02Å; A352-Y354 PolarHBondContact O-N 3.22Å; A352-K501 PolarHBondContact N-O 2.75Å; A352-K501 PolarHBondContact O-N 2.98Å
353N80.4Confident91Very high79 Ų7927.8 Ų27.842%0.42216%0.158SC..SBendtrans54.945.8171.9-60-15.4000114.3S335S335-N353 PolarHBondContact O-N 3.33Å
354Y81.8Confident91.4Very high15 Ų1527.2 Ų27.26%0.05916%0.156CC..  trans-114.7-5.1-177.762.6-86.3000114V3 I5 V337 I351 A352 L359 T373 S381V3-Y354 HydrophobicContact CG1-CD2 4.44Å; I5-Y354 VanDerWaalsContact CD1-O 3.3Å; I5-Y354 WeakPolarHBondContact CD1-O 3.47Å; V337-Y354 HydrophobicContact CG2-CE1 4.48Å; V337-Y354 WeakPolarHBondContact CG2-OH 3.31Å; I351-Y354 HydrophobicContact CB-CD1 4.49Å; I351-Y354 HydrophobicContact CB-CE1 4.16Å; I351-Y354 HydrophobicContact CG2-CD1 3.5Å; I351-Y354 HydrophobicContact CG2-CE1 3.52Å; I351-Y354 HydrophobicContact CG2-CG 4.2Å; A352-Y354 PolarHBondContact O-N 3.22Å; Y354-L359 HydrophobicContact CE1-CD1 4.25Å; Y354-L359 HydrophobicContact CE2-CD2 4.14Å; Y354-L359 WeakPolarHBondContact OH-CD1 3.41Å; Y354-T373 WeakPolarHBondContact CE2-OG1 3.35Å; Y354-T373 VanDerWaalsContact OH-CG2 3.29Å; Y354-T373 WeakPolarHBondContact OH-CG2 3.44Å; Y354-T373 PolarHBondContact OH-OG1 2.91Å; Y354-S381 VanDerWaalsContact CD2-OG 3.24Å; Y354-S381 WeakPolarHBondContact CD2-OG 3.47Å; Y354-S381 VanDerWaalsContact CE2-CB 3.44Å; Y354-S381 WeakPolarHBondContact CE2-OG 3.2Å
355H87.7Confident91.8Very high24 Ų2427.1 Ų27.111%0.11116%0.155CC..SBendtrans-117.2154.4167.1-79.8-84.8000110.2A357 L359 S375 D377 S381H355-A357 VanDerWaalsContact C-N 3.32Å; H355-A357 WeakPolarHBondContact CB-O 3.46Å; H355-L359 HydrophobicContact CB-CD2 4.35Å; H355-L359 WeakPolarHBondContact CD2-CD2 3.08Å; H355-S375 WeakPolarHBondContact ND1-CB 3.49Å; H355-S375 PolarHBondContact ND1-OG 3.41Å; H355-D377 IonicContact CE1-OD1 3.87Å; H355-D377 IonicContact CE1-OD2 2.8Å; H355-D377 IonicContact CG-OD2 3.76Å; H355-D377 IonicContact ND1-OD1 3.81Å; H355-D377 PolarHBondContact ND1-OD1 2.95Å; H355-D377 VanDerWaalsContact ND1-OD1 3.15Å; H355-D377 IonicContact ND1-OD2 3.82Å; H355-D377 PolarHBondContact ND1-OD2 2.79Å; H355-S381 PolarHBondContact CD2-OG 3.33Å; H355-S381 PolarHBondContact CE1-OG 3.16Å; H355-S381 WeakPolarHBondContact NE2-CB 3.38Å; H355-S381 PolarHBondContact NE2-OG 3.08Å
356S88.9Confident92.2Very high102 Ų10226.7 Ų26.771%0.71315%0.154SC*.SBendtrans-82.8-10.4176.756.90000113.5D377S356-D377 WeakPolarHBondContact OG-CB 3.49Å
357A93.3Very high92.4Very high29 Ų2925 Ų2524%0.2415%0.152CC..SBendtrans-137.1168.9178.900000110.8H355 S375 M376 D377H355-A357 VanDerWaalsContact C-N 3.32Å; H355-A357 WeakPolarHBondContact CB-O 3.46Å; A357-S375 PolarHBondContact O-OG 2.95Å; A357-M376 HydrophobicContact CB-CB 3.85Å; A357-D377 HydrophobicContact CB-CB 3.8Å
358P93.9Very high92.5Very high59 Ų5923.6 Ų23.638%0.38314%0.144SC..  trans-60.1141.4-177-26.936.2000114.1E334 S375 M376E334-P358 HydrophobicContact CB-CB 4.22Å; E334-P358 HydrophobicContact CG-CB 4.48Å; E334-P358 CarbonylContact O-C 3.48Å; E334-P358 VanDerWaalsContact O-CA 3.26Å; E334-P358 WeakPolarHBondContact O-CA 3.36Å; P358-S375 WeakPolarHBondContact O-CA 3.49Å; P358-M376 PolarHBondContact O-N 3.37Å
359L95.2Very high92.5Very high7 Ų727.6 Ų27.64%0.03716%0.158CC..EExtended strand (participates in β ladder)trans-67.9142.5170.2-57174.8000110.6I301 L332 E334 V337 Y354 H355 S374I301-L359 WeakPolarHBondContact CD1-O 3.42Å; L332-L359 HydrophobicContact CD1-CB 3.77Å; L332-L359 HydrophobicContact CD1-CD1 3.46Å; L332-L359 VanDerWaalsContact CD1-CD1 3.46Å; L332-L359 HydrophobicContact CD1-CG 4.22Å; L332-L359 HydrophobicContact CD2-CB 4.27Å; L332-L359 HydrophobicContact CG-CB 4.2Å; E334-L359 PolarHBondContact O-N 3.11Å; V337-L359 HydrophobicContact CG2-CD1 3.93Å; Y354-L359 HydrophobicContact CE1-CD1 4.25Å; Y354-L359 HydrophobicContact CE2-CD2 4.14Å; Y354-L359 WeakPolarHBondContact OH-CD1 3.41Å; H355-L359 HydrophobicContact CB-CD2 4.35Å; H355-L359 WeakPolarHBondContact CD2-CD2 3.08Å; L359-S374 CarbonylContact C-O 3.57Å; L359-S374 WeakPolarHBondContact CA-O 3.45Å
360T95.7Very high92.6Very high18 Ų1828.2 Ų28.211%0.1116%0.161CC..EExtended strand (participates in β ladder)trans-114.9-34.9-173.854.40000113.2I16 S374 M376I16-T360 WeakPolarHBondContact O-CB 3.23Å; I16-T360 WeakPolarHBondContact O-CG2 3.37Å; I16-T360 PolarHBondContact O-OG1 2.83Å; T360-S374 PolarHBondContact N-O 2.94Å; T360-S374 VanDerWaalsContact OG1-C 3.26Å; T360-S374 WeakPolarHBondContact OG1-CB 3.15Å; T360-S374 PolarHBondContact OG1-O 3.26Å; T360-S374 PolarHBondContact OG1-OG 3.39Å; T360-M376 HydrophobicContact CG2-CG 3.59Å; T360-M376 HydrophobicContact CG2-SD 3.61Å
361D96.8Very high92.7Very high0 Ų027.2 Ų27.20%015%0.154CC..EExtended strand (participates in β ladder)trans-157.1161.5-178.1-156.216000111.9V19 R72 K248 T373 S374V19-D361 HydrophobicContact CG1-CB 4.16Å; V19-D361 PolarHBondContact N-OD2 3.42Å; V19-D361 VanDerWaalsContact N-OD2 3.15Å; R72-D361 IonicContact CZ-OD1 3.37Å; R72-D361 IonicContact CZ-OD2 3.52Å; R72-D361 VanDerWaalsContact CZ-OD2 3.31Å; R72-D361 IonicContact NH1-OD1 3.4Å; R72-D361 IonicContact NH1-OD2 3.16Å; R72-D361 PolarHBondContact NH1-OD2 3.42Å; R72-D361 IonicContact NH2-OD1 3.32Å; R72-D361 PolarHBondContact NH2-OD1 2.93Å; R72-D361 IonicContact NH2-OD2 2.76Å; R72-D361 PolarHBondContact NH2-OD2 2.68Å; K248-D361 IonicContact NZ-OD1 2.92Å; K248-D361 PolarHBondContact NZ-OD1 3.16Å; K248-D361 IonicContact NZ-OD2 3.41Å; K248-D361 PolarHBondContact NZ-OD2 2.89Å; D361-T373 VanDerWaalsContact O-CA 3.27Å; D361-T373 WeakPolarHBondContact O-CA 3.33Å; D361-S374 VanDerWaalsContact CB-OG 3.32Å; D361-S374 WeakPolarHBondContact CB-OG 3.13Å; D361-S374 PolarHBondContact N-OG 2.82Å; D361-S374 PolarHBondContact O-N 3.34Å
362V97.2Very high92.9Very high0 Ų027.2 Ų27.20%015%0.154CC..EExtended strand (participates in β ladder)trans-143.7148.2-178.9630000109.9R304 A330 L332 L371 V372 T373R304-V362 HydrophobicContact CB-CG1 4.37Å; R304-V362 HydrophobicContact CG-CG1 3.93Å; R304-V362 VanDerWaalsContact CG-O 3.24Å; R304-V362 WeakPolarHBondContact CG-O 3.43Å; R304-V362 PolarHBondContact NE-O 3.4Å; A330-V362 HydrophobicContact CB-CG2 4.19Å; L332-V362 HydrophobicContact CB-CG1 3.91Å; L332-V362 HydrophobicContact CD1-CB 4.25Å; L332-V362 HydrophobicContact CD2-CB 4.17Å; L332-V362 HydrophobicContact CD2-CG1 4.12Å; L332-V362 HydrophobicContact CG-CG1 4.44Å; V362-L371 HydrophobicContact CG2-CD1 3.35Å; V362-L371 HydrophobicContact CG2-CD2 4.43Å; V362-L371 HydrophobicContact CG2-CG 3.98Å; V362-V372 WeakPolarHBondContact CA-O 3.3Å; V362-T373 HydrophobicContact CB-CG2 4.12Å; V362-T373 HydrophobicContact CG2-CG2 3.9Å
363T97.8Very high93.2Very high1 Ų126.9 Ų26.91%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-160.6148.7171-171.40000112.2V19 D20 F21 R23 L371 V372V19-T363 HydrophobicContact CG1-CG2 4.36Å; D20-T363 VanDerWaalsContact CA-CG2 3.5Å; D20-T363 WeakPolarHBondContact OD1-CB 3.05Å; D20-T363 PolarHBondContact OD1-OG1 3.17Å; F21-T363 HydrophobicContact CD2-CG2 3.66Å; F21-T363 HydrophobicContact CE2-CG2 4.41Å; F21-T363 HydrophobicContact CG-CG2 4.44Å; R23-T363 PolarHBondContact NH2-OG1 2.86Å; T363-L371 WeakPolarHBondContact O-CD1 3.33Å; T363-V372 HydrophobicContact CG2-CG1 3.53Å; T363-V372 PolarHBondContact N-O 3.33Å; T363-V372 VanDerWaalsContact N-O 3.07Å; T363-V372 PolarHBondContact O-N 2.78Å
364F97.6Very high93.9Very high0 Ų023.1 Ų23.10%013%0.131CC..EExtended strand (participates in β ladder)trans-89.4145.6173.1-73.4-88.6000111.1R23 R304 C306 V328 A330 F370 L371 L385R23-F364 PolarHBondContact NH1-O 3.4Å; R23-F364 PolarHBondContact NH2-O 2.81Å; R304-F364 WeakPolarHBondContact O-CE2 3.41Å; C306-F364 HydrophobicContact CB-CB 4.44Å; C306-F364 HydrophobicContact CB-CD1 4.04Å; C306-F364 HydrophobicContact CB-CD2 4.04Å; C306-F364 HydrophobicContact CB-CE1 4.28Å; C306-F364 HydrophobicContact CB-CE2 4.27Å; C306-F364 HydrophobicContact CB-CG 3.91Å; C306-F364 HydrophobicContact CB-CZ 4.39Å; V328-F364 HydrophobicContact CG1-CE1 4.42Å; V328-F364 HydrophobicContact CG1-CZ 4.17Å; A330-F364 HydrophobicContact CB-CE2 3.53Å; A330-F364 HydrophobicContact CB-CZ 3.78Å; F364-F370 CarbonylContact C-O 3.55Å; F364-F370 WeakPolarHBondContact CA-O 3.4Å; F364-L371 HydrophobicContact CD1-CB 4.2Å; F364-L371 HydrophobicContact CD1-CD1 3.86Å; F364-L371 HydrophobicContact CD2-CD1 3.78Å; F364-L371 HydrophobicContact CE1-CB 4.14Å; F364-L371 HydrophobicContact CE1-CD1 3.82Å; F364-L371 HydrophobicContact CE1-CD2 4.17Å; F364-L371 HydrophobicContact CE1-CG 4.29Å; F364-L371 HydrophobicContact CE2-CD1 3.73Å; F364-L371 HydrophobicContact CG-CD1 3.84Å; F364-L371 HydrophobicContact CZ-CD1 3.76Å; F364-L371 HydrophobicContact CZ-CD2 4.08Å; F364-L371 HydrophobicContact CZ-CG 4.44Å; F364-L385 HydrophobicContact CE1-CD1 4.38Å
365S96Very high94.6Very high0 Ų022.4 Ų22.40%013%0.128CC..  trans-61.2160162.863.40000110.8F21 D367 G368 R369 F370F21-S365 VanDerWaalsContact CD2-N 3.27Å; S365-D367 WeakPolarHBondContact CB-OD1 3.03Å; S365-D367 PolarHBondContact O-N 2.74Å; S365-D367 PolarHBondContact OG-OD1 3.32Å; S365-G368 PolarHBondContact O-N 3.09Å; S365-G368 VanDerWaalsContact O-N 3.09Å; S365-R369 PolarHBondContact OG-N 3.32Å; S365-R369 VanDerWaalsContact OG-N 3.16Å; S365-F370 PolarHBondContact N-O 2.82Å; S365-F370 PolarHBondContact OG-N 2.92Å; S365-F370 PolarHBondContact OG-O 2.94Å
366D93.7Very high94.9Very high54 Ų5424.2 Ų24.229%0.28914%0.137SC..THydrogen-bonded Turntrans-63.8-28.6-174.5-151.342.5000113.6R23 N24 P307R23-D366 WeakPolarHBondContact CD-OD1 3.32Å; R23-D366 IonicContact NH1-OD1 3.59Å; N24-D366 PolarHBondContact N-OD2 3.1Å; P307-D366 WeakPolarHBondContact CG-O 3.17Å
367D92.1Very high95.2Very high60 Ų6020.8 Ų20.832%0.32111%0.111SC..THydrogen-bonded Turntrans-95.81.6177.767.9-12.5000113.7Y28 V308 S365 R369Y28-D367 WeakPolarHBondContact CE1-OD1 3.5Å; Y28-D367 PolarHBondContact OH-OD2 3.41Å; V308-D367 VanDerWaalsContact CG2-C 3.48Å; S365-D367 WeakPolarHBondContact CB-OD1 3.03Å; S365-D367 PolarHBondContact O-N 2.74Å; S365-D367 PolarHBondContact OG-OD1 3.32Å; D367-R369 PolarHBondContact O-N 3.33Å; D367-R369 PolarHBondContact OD1-N 3.06Å; D367-R369 WeakPolarHBondContact OD2-CD 3.45Å; D367-R369 WeakPolarHBondContact OD2-CG 3.47Å; D367-R369 IonicContact OD2-NE 3.78Å
368G92.8Very high95.3Very high5 Ų519.4 Ų19.45%0.05210%0.1CC..SBendtrans68.911.3-17900000115.8C306 S365 L385C306-G368 VanDerWaalsContact SG-CA 3.57Å; S365-G368 PolarHBondContact O-N 3.09Å; S365-G368 VanDerWaalsContact O-N 3.09Å; G368-L385 WeakPolarHBondContact O-CD1 3.46Å
369R92.4Very high95.3Very high95 Ų9519 Ų1936%0.3589%0.094SC..SBendtrans-84.6-18.8179.7-69.1-168.3178.2-174.15.6114.8S365 D367 L385 K387S365-R369 PolarHBondContact OG-N 3.32Å; S365-R369 VanDerWaalsContact OG-N 3.16Å; D367-R369 PolarHBondContact O-N 3.33Å; D367-R369 PolarHBondContact OD1-N 3.06Å; D367-R369 WeakPolarHBondContact OD2-CD 3.45Å; D367-R369 WeakPolarHBondContact OD2-CG 3.47Å; D367-R369 IonicContact OD2-NE 3.78Å; R369-L385 WeakPolarHBondContact O-CB 3.25Å; R369-L385 PolarHBondContact O-N 3.49Å; R369-K387 VanDerWaalsContact NH2-CG 3.32Å
370F94.3Very high95.4Very high15 Ų1518.7 Ų18.77%0.0669%0.093CC..EExtended strand (participates in β ladder)trans-129.6140.2179-66.2-86.2000110.5F21 Y28 L44 I46 F364 S365 I383F21-F370 HydrophobicContact CE2-CB 4.29Å; F21-F370 HydrophobicContact CZ-CB 3.85Å; Y28-F370 HydrophobicContact CD1-CD2 4.14Å; Y28-F370 HydrophobicContact CD2-CD2 4.48Å; Y28-F370 HydrophobicContact CD2-CE2 4.24Å; Y28-F370 AromaticContact CE1-CD2 3.78Å; Y28-F370 HydrophobicContact CE1-CD2 3.78Å; Y28-F370 HydrophobicContact CE1-CE2 4.15Å; Y28-F370 HydrophobicContact CE2-CD2 4.15Å; Y28-F370 AromaticContact CE2-CE2 3.71Å; Y28-F370 HydrophobicContact CE2-CE2 3.71Å; Y28-F370 HydrophobicContact CG-CD2 4.47Å; Y28-F370 AromaticContact CZ-CD2 3.77Å; Y28-F370 AromaticContact CZ-CE2 3.65Å; L44-F370 HydrophobicContact CD2-CD1 4.04Å; L44-F370 HydrophobicContact CD2-CE1 4.16Å; L44-F370 HydrophobicContact CD2-CG 4.26Å; L44-F370 HydrophobicContact CD2-CZ 4.5Å; I46-F370 HydrophobicContact CD1-CE1 4.26Å; I46-F370 HydrophobicContact CD1-CE2 3.45Å; I46-F370 VanDerWaalsContact CD1-CE2 3.45Å; I46-F370 HydrophobicContact CD1-CZ 3.26Å; I46-F370 HydrophobicContact CG1-CE1 4.47Å; I46-F370 HydrophobicContact CG1-CE2 4.47Å; I46-F370 HydrophobicContact CG1-CZ 3.85Å; F364-F370 CarbonylContact C-O 3.55Å; F364-F370 WeakPolarHBondContact CA-O 3.4Å; S365-F370 PolarHBondContact N-O 2.82Å; S365-F370 PolarHBondContact OG-N 2.92Å; S365-F370 PolarHBondContact OG-O 2.94Å; F370-I383 WeakPolarHBondContact CA-O 3.19Å
371L95.7Very high95.3Very high1 Ų117.8 Ų17.81%0.0059%0.087CC..EExtended strand (participates in β ladder)trans-119.1126.3165.8-179.963.8000106.6A330 V337 V339 V362 T363 F364 I383A330-L371 HydrophobicContact CB-CD1 4.19Å; A330-L371 HydrophobicContact CB-CD2 4.11Å; V337-L371 HydrophobicContact CG1-CD2 3.87Å; V339-L371 HydrophobicContact CG2-CD2 4.1Å; V362-L371 HydrophobicContact CG2-CD1 3.35Å; V362-L371 HydrophobicContact CG2-CD2 4.43Å; V362-L371 HydrophobicContact CG2-CG 3.98Å; T363-L371 WeakPolarHBondContact O-CD1 3.33Å; F364-L371 HydrophobicContact CD1-CB 4.2Å; F364-L371 HydrophobicContact CD1-CD1 3.86Å; F364-L371 HydrophobicContact CD2-CD1 3.78Å; F364-L371 HydrophobicContact CE1-CB 4.14Å; F364-L371 HydrophobicContact CE1-CD1 3.82Å; F364-L371 HydrophobicContact CE1-CD2 4.17Å; F364-L371 HydrophobicContact CE1-CG 4.29Å; F364-L371 HydrophobicContact CE2-CD1 3.73Å; F364-L371 HydrophobicContact CG-CD1 3.84Å; F364-L371 HydrophobicContact CZ-CD1 3.76Å; F364-L371 HydrophobicContact CZ-CD2 4.08Å; F364-L371 HydrophobicContact CZ-CG 4.44Å; L371-I383 HydrophobicContact CB-CB 4.15Å; L371-I383 HydrophobicContact CB-CD1 4.16Å; L371-I383 HydrophobicContact CD2-CD1 4.02Å; L371-I383 HydrophobicContact CG-CD1 4Å; L371-I383 PolarHBondContact N-O 3.07Å; L371-I383 PolarHBondContact O-N 3.07Å
372V96.3Very high95.1Very high0 Ų017.9 Ų17.90%09%0.088CC..EExtended strand (participates in β ladder)trans-113.5139.3176.8660000109.8V19 F21 V362 T363 L380 S381 F382V19-V372 HydrophobicContact CG1-CG1 4.11Å; V19-V372 HydrophobicContact CG2-CG1 3.7Å; V19-V372 HydrophobicContact CG2-CG2 4.28Å; F21-V372 HydrophobicContact CD2-CG1 3.79Å; F21-V372 HydrophobicContact CE2-CB 3.83Å; F21-V372 HydrophobicContact CE2-CG1 3.34Å; F21-V372 HydrophobicContact CZ-CB 4.19Å; F21-V372 HydrophobicContact CZ-CG1 4Å; V362-V372 WeakPolarHBondContact CA-O 3.3Å; T363-V372 HydrophobicContact CG2-CG1 3.53Å; T363-V372 PolarHBondContact N-O 3.33Å; T363-V372 VanDerWaalsContact N-O 3.07Å; T363-V372 PolarHBondContact O-N 2.78Å; V372-L380 HydrophobicContact CG2-CB 4.1Å; V372-L380 HydrophobicContact CG2-CD1 4.31Å; V372-L380 HydrophobicContact CG2-CD2 4.48Å; V372-S381 VanDerWaalsContact CA-O 3.29Å; V372-S381 WeakPolarHBondContact CA-O 3.42Å; V372-F382 HydrophobicContact CB-CD1 3.97Å; V372-F382 HydrophobicContact CB-CE1 4Å; V372-F382 HydrophobicContact CG2-CD1 3.86Å; V372-F382 HydrophobicContact CG2-CD2 4.47Å; V372-F382 HydrophobicContact CG2-CE1 3.64Å; V372-F382 HydrophobicContact CG2-CE2 4.27Å; V372-F382 HydrophobicContact CG2-CG 4.29Å; V372-F382 HydrophobicContact CG2-CZ 3.87Å
373T96.8Very high94.9Very high0 Ų017.9 Ų17.90%09%0.088CC..EExtended strand (participates in β ladder)trans-119.5141.6169.9580000111.2L332 V337 Y354 D361 V362 L380 S381L332-T373 HydrophobicContact CD1-CG2 4.26Å; V337-T373 HydrophobicContact CG2-CG2 3.58Å; Y354-T373 WeakPolarHBondContact CE2-OG1 3.35Å; Y354-T373 VanDerWaalsContact OH-CG2 3.29Å; Y354-T373 WeakPolarHBondContact OH-CG2 3.44Å; Y354-T373 PolarHBondContact OH-OG1 2.91Å; D361-T373 VanDerWaalsContact O-CA 3.27Å; D361-T373 WeakPolarHBondContact O-CA 3.33Å; V362-T373 HydrophobicContact CB-CG2 4.12Å; V362-T373 HydrophobicContact CG2-CG2 3.9Å; T373-L380 VanDerWaalsContact O-CA 3.3Å; T373-L380 WeakPolarHBondContact O-CA 3.27Å; T373-S381 PolarHBondContact N-O 2.84Å; T373-S381 PolarHBondContact O-N 3.22Å
374S95.9Very high94.5Very high0 Ų019.5 Ų19.50%010%0.099CC..EExtended strand (participates in β ladder)trans-101.9158.3168.556.20000111.2L359 T360 D361L359-S374 CarbonylContact C-O 3.57Å; L359-S374 WeakPolarHBondContact CA-O 3.45Å; T360-S374 PolarHBondContact N-O 2.94Å; T360-S374 VanDerWaalsContact OG1-C 3.26Å; T360-S374 WeakPolarHBondContact OG1-CB 3.15Å; T360-S374 PolarHBondContact OG1-O 3.26Å; T360-S374 PolarHBondContact OG1-OG 3.39Å; D361-S374 VanDerWaalsContact CB-OG 3.32Å; D361-S374 WeakPolarHBondContact CB-OG 3.13Å; D361-S374 PolarHBondContact N-OG 2.82Å; D361-S374 PolarHBondContact O-N 3.34Å
375S95.6Very high94.2Very high0 Ų020.1 Ų20.10%010%0.102CC..EExtended strand (participates in β ladder)trans-144.5157.3-175.8157.20000112.3I16 H355 A357 P358 D377 G378 N379I16-S375 PolarHBondContact N-O 2.76Å; I16-S375 VanDerWaalsContact N-O 3.16Å; H355-S375 WeakPolarHBondContact ND1-CB 3.49Å; H355-S375 PolarHBondContact ND1-OG 3.41Å; A357-S375 PolarHBondContact O-OG 2.95Å; P358-S375 WeakPolarHBondContact O-CA 3.49Å; S375-D377 WeakPolarHBondContact CB-OD1 3.49Å; S375-D377 PolarHBondContact O-N 3.13Å; S375-D377 PolarHBondContact OG-N 2.73Å; S375-D377 VanDerWaalsContact OG-N 3.12Å; S375-D377 PolarHBondContact OG-OD1 3Å; S375-G378 PolarHBondContact O-N 2.71Å; S375-N379 PolarHBondContact N-O 3.13Å
376M95.3Very high93.8Very high62 Ų6223.7 Ų23.731%0.30513%0.128SC..THydrogen-bonded Turntrans-64.8-14.6174-68.2-63.1-129.800113.5P15 L17 F247 A357 P358 T360 G378P15-M376 WeakPolarHBondContact CA-O 3.23Å; P15-M376 HydrophobicContact CB-SD 3.9Å; P15-M376 WeakPolarHBondContact CG-O 3.22Å; L17-M376 HydrophobicContact CD2-CE 4.26Å; L17-M376 HydrophobicContact CD2-SD 3.62Å; F247-M376 HydrophobicContact CE2-CE 4.31Å; A357-M376 HydrophobicContact CB-CB 3.85Å; P358-M376 PolarHBondContact O-N 3.37Å; T360-M376 HydrophobicContact CG2-CG 3.59Å; T360-M376 HydrophobicContact CG2-SD 3.61Å; M376-G378 PolarHBondContact O-N 3.37Å
377D94.8Very high93.2Very high30 Ų3028.1 Ų28.116%0.1614%0.144CC..THydrogen-bonded Turntrans-77.7-1174.471-12.7000113.3H355 S356 A357 S375 N379H355-D377 IonicContact CE1-OD1 3.87Å; H355-D377 IonicContact CE1-OD2 2.8Å; H355-D377 IonicContact CG-OD2 3.76Å; H355-D377 IonicContact ND1-OD1 3.81Å; H355-D377 PolarHBondContact ND1-OD1 2.95Å; H355-D377 VanDerWaalsContact ND1-OD1 3.15Å; H355-D377 IonicContact ND1-OD2 3.82Å; H355-D377 PolarHBondContact ND1-OD2 2.79Å; S356-D377 WeakPolarHBondContact OG-CB 3.49Å; A357-D377 HydrophobicContact CB-CB 3.8Å; S375-D377 WeakPolarHBondContact CB-OD1 3.49Å; S375-D377 PolarHBondContact O-N 3.13Å; S375-D377 PolarHBondContact OG-N 2.73Å; S375-D377 VanDerWaalsContact OG-N 3.12Å; S375-D377 PolarHBondContact OG-OD1 3Å; D377-N379 VanDerWaalsContact C-N 3.35Å; D377-N379 VanDerWaalsContact CG-ND2 3.31Å; D377-N379 WeakPolarHBondContact OD1-CB 3.24Å; D377-N379 PolarHBondContact OD1-N 3.23Å; D377-N379 PolarHBondContact OD2-ND2 3.2Å; D377-N379 VanDerWaalsContact OD2-ND2 3.07Å
378G94.9Very high92.9Very high0 Ų029.8 Ų29.80%015%0.153CC..SBendtrans81.310.5-179.700000114.8V14 I16 S375 M376V14-G378 WeakPolarHBondContact O-CA 3.24Å; I16-G378 WeakPolarHBondContact CD1-O 3.46Å; S375-G378 PolarHBondContact O-N 2.71Å; M376-G378 PolarHBondContact O-N 3.37Å
379N95Very high92.6Very high51 Ų5131.5 Ų31.527%0.27316%0.16SC..  trans-107.2159.8179.7-62.6-53.6000112.7S375 D377S375-N379 PolarHBondContact N-O 3.13Å; D377-N379 VanDerWaalsContact C-N 3.35Å; D377-N379 VanDerWaalsContact CG-ND2 3.31Å; D377-N379 WeakPolarHBondContact OD1-CB 3.24Å; D377-N379 PolarHBondContact OD1-N 3.23Å; D377-N379 PolarHBondContact OD2-ND2 3.2Å; D377-N379 VanDerWaalsContact OD2-ND2 3.07Å
380L95.7Very high92.5Very high0 Ų027.3 Ų27.30%014%0.144CC..EExtended strand (participates in β ladder)trans-112.8140164.5-59.7-177.3000110P6 F10 I16 V19 I30 T32 V372 T373 F382P6-L380 WeakPolarHBondContact CD-O 3.25Å; F10-L380 HydrophobicContact CD1-CD1 3.86Å; F10-L380 HydrophobicContact CD1-CG 4.1Å; F10-L380 HydrophobicContact CD2-CB 4.45Å; F10-L380 HydrophobicContact CD2-CG 4.31Å; F10-L380 HydrophobicContact CE1-CB 4.33Å; F10-L380 HydrophobicContact CE1-CD1 3.48Å; F10-L380 VanDerWaalsContact CE1-CD1 3.48Å; F10-L380 HydrophobicContact CE1-CG 3.96Å; F10-L380 HydrophobicContact CE2-CB 3.95Å; F10-L380 HydrophobicContact CE2-CG 4.19Å; F10-L380 HydrophobicContact CG-CG 4.27Å; F10-L380 HydrophobicContact CZ-CB 3.87Å; F10-L380 HydrophobicContact CZ-CD1 3.87Å; F10-L380 HydrophobicContact CZ-CG 4.01Å; I16-L380 HydrophobicContact CD1-CD2 3.74Å; I16-L380 HydrophobicContact CD1-CG 3.92Å; I16-L380 HydrophobicContact CG2-CD2 4.18Å; V19-L380 HydrophobicContact CB-CD2 4.39Å; V19-L380 HydrophobicContact CG2-CD2 4.36Å; I30-L380 HydrophobicContact CD1-CD1 3.3Å; T32-L380 HydrophobicContact CG2-CD1 3.83Å; T32-L380 HydrophobicContact CG2-CD2 4.34Å; V372-L380 HydrophobicContact CG2-CB 4.1Å; V372-L380 HydrophobicContact CG2-CD1 4.31Å; V372-L380 HydrophobicContact CG2-CD2 4.48Å; T373-L380 VanDerWaalsContact O-CA 3.3Å; T373-L380 WeakPolarHBondContact O-CA 3.27Å; L380-F382 HydrophobicContact CB-CE2 3.88Å; L380-F382 HydrophobicContact CB-CZ 4.38Å; L380-F382 HydrophobicContact CD1-CE2 4.29Å; L380-F382 HydrophobicContact CD1-CZ 4.06Å
381S93.7Very high92.3Very high0 Ų027 Ų270%015%0.145CC..EExtended strand (participates in β ladder)trans-111.2129.7168.5-68.10000110.4I5 Y354 H355 V372 T373I5-S381 WeakPolarHBondContact CG1-OG 3.2Å; Y354-S381 VanDerWaalsContact CD2-OG 3.24Å; Y354-S381 WeakPolarHBondContact CD2-OG 3.47Å; Y354-S381 VanDerWaalsContact CE2-CB 3.44Å; Y354-S381 WeakPolarHBondContact CE2-OG 3.2Å; H355-S381 PolarHBondContact CD2-OG 3.33Å; H355-S381 PolarHBondContact CE1-OG 3.16Å; H355-S381 WeakPolarHBondContact NE2-CB 3.38Å; H355-S381 PolarHBondContact NE2-OG 3.08Å; V372-S381 VanDerWaalsContact CA-O 3.29Å; V372-S381 WeakPolarHBondContact CA-O 3.42Å; T373-S381 PolarHBondContact N-O 2.84Å; T373-S381 PolarHBondContact O-N 3.22Å
382F93.4Very high92.1Very high1 Ų131.9 Ų31.90%0.00417%0.17CC..EExtended strand (participates in β ladder)trans-104124.4175.4-64.9-94.2000109.4C4 P6 F10 F21 I30 L44 V53 V55 V372 L380C4-F382 PolarHBondContact N-O 2.63Å; C4-F382 PolarHBondContact O-N 2.79Å; P6-F382 HydrophobicContact CG-CD2 3.71Å; P6-F382 HydrophobicContact CG-CE2 3.79Å; F10-F382 HydrophobicContact CZ-CE2 4.22Å; F21-F382 HydrophobicContact CZ-CD1 4.44Å; F21-F382 HydrophobicContact CZ-CE1 4.32Å; I30-F382 HydrophobicContact CD1-CE1 4.19Å; I30-F382 HydrophobicContact CD1-CZ 3.72Å; L44-F382 HydrophobicContact CD1-CD1 3.69Å; L44-F382 HydrophobicContact CD1-CD2 4.16Å; L44-F382 HydrophobicContact CD1-CE1 3.48Å; L44-F382 VanDerWaalsContact CD1-CE1 3.48Å; L44-F382 HydrophobicContact CD1-CE2 3.99Å; L44-F382 HydrophobicContact CD1-CG 4.02Å; L44-F382 HydrophobicContact CD1-CZ 3.63Å; L44-F382 HydrophobicContact CD2-CD1 3.79Å; L44-F382 HydrophobicContact CD2-CE1 3.98Å; L44-F382 HydrophobicContact CG-CD1 4.38Å; L44-F382 HydrophobicContact CG-CE1 4.25Å; V53-F382 HydrophobicContact CG1-CG 4.46Å; V55-F382 HydrophobicContact CG1-CE2 4Å; V55-F382 HydrophobicContact CG1-CZ 3.97Å; V372-F382 HydrophobicContact CB-CD1 3.97Å; V372-F382 HydrophobicContact CB-CE1 4Å; V372-F382 HydrophobicContact CG2-CD1 3.86Å; V372-F382 HydrophobicContact CG2-CD2 4.47Å; V372-F382 HydrophobicContact CG2-CE1 3.64Å; V372-F382 HydrophobicContact CG2-CE2 4.27Å; V372-F382 HydrophobicContact CG2-CG 4.29Å; V372-F382 HydrophobicContact CG2-CZ 3.87Å; L380-F382 HydrophobicContact CB-CE2 3.88Å; L380-F382 HydrophobicContact CB-CZ 4.38Å; L380-F382 HydrophobicContact CD1-CE2 4.29Å; L380-F382 HydrophobicContact CD1-CZ 4.06Å
383I92.7Very high91.9Very high1 Ų135.5 Ų35.51%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-104.5110.1175.9-58.4133.3000106.6M1 K2 V3 I351 F370 L371M1-I383 HydrophobicContact CB-CG2 4.37Å; M1-I383 HydrophobicContact CG-CG2 4.13Å; K2-I383 CarbonylContact O-C 3.55Å; K2-I383 WeakPolarHBondContact O-CA 3.36Å; V3-I383 HydrophobicContact CG2-CG1 4.12Å; I351-I383 HydrophobicContact CD1-CB 4.41Å; I351-I383 HydrophobicContact CD1-CD1 3.66Å; I351-I383 HydrophobicContact CD1-CG1 3.82Å; I351-I383 HydrophobicContact CD1-CG2 3.84Å; F370-I383 WeakPolarHBondContact CA-O 3.19Å; L371-I383 HydrophobicContact CB-CB 4.15Å; L371-I383 HydrophobicContact CB-CD1 4.16Å; L371-I383 HydrophobicContact CD2-CD1 4.02Å; L371-I383 HydrophobicContact CG-CD1 4Å; L371-I383 PolarHBondContact N-O 3.07Å; L371-I383 PolarHBondContact O-N 3.07Å
384S90.8Very high91.5Very high35 Ų3537.3 Ų37.325%0.24521%0.207CC..EExtended strand (participates in β ladder)trans-84.7135.5175.466.10000111.2M1 K2M1-S384 CarbonylContact C-O 3.53Å; M1-S384 WeakPolarHBondContact CA-O 3.4Å; M1-S384 PolarHBondContact N-O 2.99Å; M1-S384 VanDerWaalsContact N-O 3.14Å; K2-S384 PolarHBondContact N-O 3.32Å; K2-S384 PolarHBondContact O-N 3.36Å; K2-S384 PolarHBondContact O-OG 2.8Å
385L91Very high90.9Very high12 Ų1242.9 Ų42.96%0.06324%0.237CC..  trans-115.3133.6178-62.3161.2000107.8M1 F364 G368 R369 E389 L390M1-L385 HydrophobicContact CB-CD2 4.47Å; M1-L385 HydrophobicContact CG-CD2 3.28Å; M1-L385 HydrophobicContact SD-CD2 4.3Å; F364-L385 HydrophobicContact CE1-CD1 4.38Å; G368-L385 WeakPolarHBondContact O-CD1 3.46Å; R369-L385 WeakPolarHBondContact O-CB 3.25Å; R369-L385 PolarHBondContact O-N 3.49Å; L385-E389 WeakPolarHBondContact CA-OE2 3.42Å; L385-L390 HydrophobicContact CD1-CD1 3.81Å; L385-L390 HydrophobicContact CD1-CD2 4.39Å; L385-L390 HydrophobicContact CD1-CG 4.15Å; L385-L390 HydrophobicContact CD2-CD2 4.19Å; L385-L390 HydrophobicContact CD2-CG 4.49Å
386S87.1Confident90.3Very high76 Ų7644.8 Ų44.853%0.53125%0.25SC..  trans-69.5157.8174.974.90000110.5D388 E389S386-D388 PolarHBondContact O-N 3.25Å; S386-E389 PolarHBondContact N-OE2 2.8Å; S386-E389 WeakPolarHBondContact O-CB 3.27Å; S386-E389 PolarHBondContact O-N 2.76Å; S386-E389 WeakPolarHBondContact OG-CB 3.47Å
387K81.7Confident89.3Confident146 Ų14644 Ų4464%0.63525%0.254SS*.THydrogen-bonded Turntrans-47.3-38.9-171.3179.6177.4179.5-172.20114.2R369R369-K387 VanDerWaalsContact NH2-CG 3.32Å
388D85.4Confident88.1Confident96 Ų9645.5 Ų45.551%0.51327%0.265SS..THydrogen-bonded Turntrans-116.513.3-176.3-54.4-56.9000112.4S386 L390 G391S386-D388 PolarHBondContact O-N 3.25Å; D388-L390 VanDerWaalsContact C-N 3.33Å; D388-L390 PolarHBondContact O-N 2.86Å; D388-G391 PolarHBondContact O-N 3.3Å; D388-G391 VanDerWaalsContact O-N 3.13Å
389E86.5Confident87.3Confident41 Ų4146.8 Ų46.819%0.19227%0.27CS..THydrogen-bonded Turntrans-62.5-41.2-176.4-166.7166.8171.900112.4M1 R313 L385 S386 G391 R504M1-E389 WeakPolarHBondContact CG-OE1 3.26Å; M1-E389 PolarHBondContact N-OE1 2.92Å; M1-E389 PolarHBondContact N-OE2 2.92Å; R313-E389 PolarHBondContact NH2-O 3.27Å; L385-E389 WeakPolarHBondContact CA-OE2 3.42Å; S386-E389 PolarHBondContact N-OE2 2.8Å; S386-E389 WeakPolarHBondContact O-CB 3.27Å; S386-E389 PolarHBondContact O-N 2.76Å; S386-E389 WeakPolarHBondContact OG-CB 3.47Å; E389-G391 VanDerWaalsContact C-N 3.34Å; E389-R504 IonicContact OE1-NE 3.37Å
390L90.2Very high86.2Confident6 Ų647.2 Ų47.23%0.03128%0.275CS..SBendtrans-80.7-18.5177.7-66.7-171.8000112.3F310 R313 V328 I348 L385 D388F310-L390 HydrophobicContact CD1-CB 4.41Å; F310-L390 HydrophobicContact CE1-CB 3.73Å; F310-L390 HydrophobicContact CE2-CB 4.25Å; F310-L390 HydrophobicContact CE2-CD1 4.35Å; F310-L390 HydrophobicContact CZ-CB 3.63Å; F310-L390 HydrophobicContact CZ-CD1 3.89Å; F310-L390 HydrophobicContact CZ-CG 4.44Å; R313-L390 PolarHBondContact NH2-O 3.42Å; V328-L390 HydrophobicContact CB-CD1 4.21Å; V328-L390 HydrophobicContact CG1-CD1 3.95Å; V328-L390 HydrophobicContact CG1-CD2 3.99Å; V328-L390 HydrophobicContact CG2-CB 4.13Å; V328-L390 HydrophobicContact CG2-CD1 4.19Å; V328-L390 HydrophobicContact CG2-CD2 4.18Å; V328-L390 HydrophobicContact CG2-CG 4.39Å; I348-L390 HydrophobicContact CD1-CD2 4.07Å; L385-L390 HydrophobicContact CD1-CD1 3.81Å; L385-L390 HydrophobicContact CD1-CD2 4.39Å; L385-L390 HydrophobicContact CD1-CG 4.15Å; L385-L390 HydrophobicContact CD2-CD2 4.19Å; L385-L390 HydrophobicContact CD2-CG 4.49Å; D388-L390 VanDerWaalsContact C-N 3.33Å; D388-L390 PolarHBondContact O-N 2.86Å
391G89.4Confident84.4Confident8 Ų850.1 Ų50.18%0.08230%0.299CS..  trans129.2-173-179.700000111.3D388 E389D388-G391 PolarHBondContact O-N 3.3Å; D388-G391 VanDerWaalsContact O-N 3.13Å; E389-G391 VanDerWaalsContact C-N 3.34Å
392I91.3Very high82.5Confident104 Ų10456.9 Ų56.953%0.53333%0.329SS..  trans-86.6119.4-179.5-58.2170.2000108.6F310 K311F310-I392 WeakPolarHBondContact CA-O 3.16Å; K311-I392 HydrophobicContact CD-CG2 4.41Å; K311-I392 PolarHBondContact N-O 3.25Å
393S91.5Very high80.7Confident77 Ų7760.4 Ų60.454%0.53834%0.344SS..BIsolated β-bridgetrans-60.5141.9174.1176.50000111.2V308 T309V308-S393 WeakPolarHBondContact CG1-OG 3.42Å; T309-S393 WeakPolarHBondContact O-CA 3.31Å
394T89.3Confident78.8Confident37 Ų3768.4 Ų68.423%0.22738%0.381CS..  trans-130.4153.7175.8-1620000110.4T309 K311 S396T309-T394 HydrophobicContact CG2-CG2 3.6Å; T309-T394 PolarHBondContact O-N 3.47Å; K311-T394 HydrophobicContact CG-CG2 4.42Å; T394-S396 PolarHBondContact O-N 3.22Å
395D84.3Confident76.9Confident118 Ų11872.6 Ų72.663%0.63141%0.405SS*.  trans-63.6130179.3-170.7-11.9000110.3A397 C398D395-A397 HydrophobicContact CB-CB 4.32Å; D395-A397 PolarHBondContact O-N 3.42Å; D395-A397 VanDerWaalsContact O-N 3.08Å; D395-A397 WeakPolarHBondContact OD1-CB 3.32Å; D395-A397 PolarHBondContact OD1-N 2.9Å; D395-C398 PolarHBondContact O-N 2.84Å; D395-C398 VanDerWaalsContact O-N 3.16Å; D395-C398 PolarHBondContact O-SG 3.06Å
396S81.5Confident74.9Confident39 Ų3974 Ų7427%0.27341%0.412SS..THydrogen-bonded Turntrans-57.2-20.3173.8-60.60000112.7T309 T394 C398 W399 T400T309-S396 PolarHBondContact OG1-OG 2.81Å; T394-S396 PolarHBondContact O-N 3.22Å; S396-C398 PolarHBondContact O-N 3.5Å; S396-W399 PolarHBondContact O-N 3.11Å; S396-T400 PolarHBondContact O-N 2.9Å; S396-T400 PolarHBondContact O-OG1 2.81Å
397A74.2Confident73.1Confident47 Ų4772 Ų7239%0.38840%0.403SS..Hα-helixtrans-47.7-29.7171.800000113.7D395 W399 T400 A401D395-A397 HydrophobicContact CB-CB 4.32Å; D395-A397 PolarHBondContact O-N 3.42Å; D395-A397 VanDerWaalsContact O-N 3.08Å; D395-A397 WeakPolarHBondContact OD1-CB 3.32Å; D395-A397 PolarHBondContact OD1-N 2.9Å; A397-W399 PolarHBondContact O-N 3.29Å; A397-T400 PolarHBondContact O-N 3.29Å; A397-A401 PolarHBondContact O-N 3.02Å
398C70.7Confident71.4Confident60 Ų6074.2 Ų74.241%0.40541%0.413SS..Hα-helixtrans-56-32.8177.265.30000113.8D395 S396D395-C398 PolarHBondContact O-N 2.84Å; D395-C398 VanDerWaalsContact O-N 3.16Å; D395-C398 PolarHBondContact O-SG 3.06Å; S396-C398 PolarHBondContact O-N 3.5Å
399W77.5Confident69.5Low27 Ų2777.1 Ų77.110%0.10242%0.423CS..Hα-helixtrans-113.9-16.5176.352.8-103.3000113.7P255 D256 T309 Y325 F327 S396 A397 F402 K403P255-W399 HydrophobicContact CB-CH2 4.17Å; P255-W399 HydrophobicContact CB-CZ2 4.14Å; D256-W399 HydrophobicContact CB-CB 4.5Å; D256-W399 HydrophobicContact CB-CD2 3.63Å; D256-W399 HydrophobicContact CB-CE3 3.58Å; D256-W399 HydrophobicContact CB-CG 4.05Å; D256-W399 HydrophobicContact CB-CH2 4.45Å; D256-W399 HydrophobicContact CB-CZ2 4.49Å; D256-W399 HydrophobicContact CB-CZ3 4.03Å; T309-W399 PolarHBondContact OG1-NE1 2.9Å; Y325-W399 HydrophobicContact CE1-CB 3.74Å; Y325-W399 HydrophobicContact CE1-CG 4.25Å; Y325-W399 HydrophobicContact CE2-CB 4.49Å; Y325-W399 AromaticContact CE2-CD1 3.73Å; Y325-W399 HydrophobicContact CE2-CG 4.27Å; Y325-W399 AromaticContact CZ-CD1 3.71Å; Y325-W399 AromaticContact CZ-CG 3.9Å; Y325-W399 WeakPolarHBondContact OH-CB 3.07Å; F327-W399 AromaticContact CZ-CE2 3.95Å; F327-W399 HydrophobicContact CZ-CZ2 4.14Å; F327-W399 AromaticContact CZ-NE1 3.67Å; S396-W399 PolarHBondContact O-N 3.11Å; A397-W399 PolarHBondContact O-N 3.29Å; W399-F402 PolarHBondContact O-N 3.37Å; W399-K403 HydrophobicContact CE3-CD 4.36Å; W399-K403 HydrophobicContact CZ3-CD 4.45Å; W399-K403 PolarHBondContact O-N 2.82Å
400T72.8Confident67.5Low61 Ų6180 Ų8037%0.37444%0.435SS..Hα-helixtrans-66.8-43.2174.1-43.50000111.8S396 A397 F402 K403 E404S396-T400 PolarHBondContact O-N 2.9Å; S396-T400 PolarHBondContact O-OG1 2.81Å; A397-T400 PolarHBondContact O-N 3.29Å; T400-F402 VanDerWaalsContact C-N 3.27Å; T400-F402 PolarHBondContact O-N 2.95Å; T400-K403 WeakPolarHBondContact O-CB 3.43Å; T400-K403 PolarHBondContact O-N 3.25Å; T400-K403 VanDerWaalsContact O-N 3.11Å; T400-E404 PolarHBondContact O-N 3.11Å
401A58.3Low65.5Low61 Ų6182.2 Ų82.250%0.50445%0.447SS..Hα-helixtrans-62.4-36.8176.700000111.9A397 K403 E404 V405A397-A401 PolarHBondContact O-N 3.02Å; A401-K403 VanDerWaalsContact C-N 3.29Å; A401-K403 PolarHBondContact O-N 3.44Å; A401-E404 PolarHBondContact O-N 2.97Å; A401-V405 PolarHBondContact O-N 3.46Å
402F52.4Low63.4Low142 Ų14286 Ų8662%0.62348%0.478SS*.Hα-helixtrans-64.5-31.4176.1-123.4-92.7000112.5W399 T400 I406W399-F402 PolarHBondContact O-N 3.37Å; T400-F402 VanDerWaalsContact C-N 3.27Å; T400-F402 PolarHBondContact O-N 2.95Å; F402-I406 HydrophobicContact CD1-CD1 3.5Å; F402-I406 VanDerWaalsContact CD1-CD1 3.5Å; F402-I406 HydrophobicContact CE1-CD1 3.82Å; F402-I406 WeakPolarHBondContact O-CB 3.45Å; F402-I406 VanDerWaalsContact O-CG1 3.32Å; F402-I406 WeakPolarHBondContact O-CG1 3.46Å; F402-I406 PolarHBondContact O-N 3.18Å
403K55.3Low61.3Low75 Ų7585.2 Ų85.233%0.32647%0.474SS..Hα-helixtrans-69.2-43.2175.2-78.2-178.1173.4-177.40113P255 D256 W399 T400 A401 V405 I406 G407P255-K403 PolarHBondContact O-NZ 2.84Å; D256-K403 VanDerWaalsContact C-NZ 3.31Å; D256-K403 WeakPolarHBondContact O-CE 3.49Å; D256-K403 PolarHBondContact O-NZ 2.92Å; W399-K403 HydrophobicContact CE3-CD 4.36Å; W399-K403 HydrophobicContact CZ3-CD 4.45Å; W399-K403 PolarHBondContact O-N 2.82Å; T400-K403 WeakPolarHBondContact O-CB 3.43Å; T400-K403 PolarHBondContact O-N 3.25Å; T400-K403 VanDerWaalsContact O-N 3.11Å; A401-K403 VanDerWaalsContact C-N 3.29Å; A401-K403 PolarHBondContact O-N 3.44Å; K403-V405 VanDerWaalsContact C-N 3.27Å; K403-V405 PolarHBondContact O-N 3.25Å; K403-I406 PolarHBondContact O-N 3.37Å; K403-G407 WeakPolarHBondContact O-CA 3.26Å; K403-G407 PolarHBondContact O-N 2.87Å
404E54.5Low59.5Low168 Ų16883 Ų8379%0.78545%0.454SS*.Hα-helixtrans-62.7-36.5-178.6-73.8-172.6169.500112.1T400 A401T400-E404 PolarHBondContact O-N 3.11Å; A401-E404 PolarHBondContact O-N 2.97Å
405V49.8Very low57.4Low123 Ų12389.6 Ų89.675%0.74548%0.475SS*.Hα-helixtrans-70.5-40.5177.5179.40000111.8A401 K403A401-V405 PolarHBondContact O-N 3.46Å; K403-V405 VanDerWaalsContact C-N 3.27Å; K403-V405 PolarHBondContact O-N 3.25Å
406I49.6Very low55.8Low43 Ų4385.8 Ų85.822%0.22145%0.454CS..Hα-helixtrans-92.1-17.5-171.8-63.7177.2000113.3F402 K403 K408 E409 K410F402-I406 HydrophobicContact CD1-CD1 3.5Å; F402-I406 VanDerWaalsContact CD1-CD1 3.5Å; F402-I406 HydrophobicContact CE1-CD1 3.82Å; F402-I406 WeakPolarHBondContact O-CB 3.45Å; F402-I406 VanDerWaalsContact O-CG1 3.32Å; F402-I406 WeakPolarHBondContact O-CG1 3.46Å; F402-I406 PolarHBondContact O-N 3.18Å; K403-I406 PolarHBondContact O-N 3.37Å; I406-K408 PolarHBondContact O-N 3.03Å; I406-E409 PolarHBondContact O-N 3.23Å; I406-K410 HydrophobicContact CG2-CB 3.67Å; I406-K410 HydrophobicContact CG2-CD 3.51Å; I406-K410 HydrophobicContact CG2-CG 3.4Å; I406-K410 VanDerWaalsContact CG2-CG 3.4Å; I406-K410 PolarHBondContact O-N 2.85Å
407G49.7Very low53.7Low32 Ų3288 Ų8833%0.3347%0.469SS..THydrogen-bonded Turntrans-53.1-15.3-172.300000115.5K403 L411K403-G407 WeakPolarHBondContact O-CA 3.26Å; K403-G407 PolarHBondContact O-N 2.87Å; G407-L411 VanDerWaalsContact O-CD2 3.32Å; G407-L411 WeakPolarHBondContact O-CD2 3.35Å
408K45.1Very low51.8Low194 Ų19488.2 Ų88.284%0.84347%0.468SS*.THydrogen-bonded Turntrans-92.8-26.6175.8-64.8-175.9-180177.30114.9I406I406-K408 PolarHBondContact O-N 3.03Å
409E45.6Very low49.7Very low157 Ų15790 Ų9073%0.73448%0.482SS*.THydrogen-bonded Turntrans-108.2-38.6-168.8-69.8-171.8167.100115.2I406 L411 N413I406-E409 PolarHBondContact O-N 3.23Å; E409-L411 VanDerWaalsContact C-N 3.35Å; E409-N413 PolarHBondContact O-ND2 3.49Å
410K44.8Very low47.2Very low101 Ų10196.4 Ų96.444%0.43952%0.518SS..SBendtrans-74.6-26.9176.4-78.9-171.5-168.9173.80112.6I406 A412 N413I406-K410 HydrophobicContact CG2-CB 3.67Å; I406-K410 HydrophobicContact CG2-CD 3.51Å; I406-K410 HydrophobicContact CG2-CG 3.4Å; I406-K410 VanDerWaalsContact CG2-CG 3.4Å; I406-K410 PolarHBondContact O-N 2.85Å; K410-A412 VanDerWaalsContact C-N 3.33Å; K410-A412 PolarHBondContact O-N 2.84Å; K410-N413 PolarHBondContact O-N 2.87Å
411L47.4Very low44.9Very low53 Ų5398.1 Ų98.128%0.27753%0.532SS..G310 helixtrans-63.6-33.7-174.3-111.367000113.6Q196 G407 E409 N413Q196-L411 VanDerWaalsContact CD-CD2 3.42Å; Q196-L411 VanDerWaalsContact OE1-CG 3.23Å; G407-L411 VanDerWaalsContact O-CD2 3.32Å; G407-L411 WeakPolarHBondContact O-CD2 3.35Å; E409-L411 VanDerWaalsContact C-N 3.35Å; L411-N413 PolarHBondContact O-N 2.92Å
412A45.8Very low43.3Very low88 Ų88104 Ų10473%0.72755%0.551SS**G310 helixtrans-74.6-13.9175.400000113.3K410K410-A412 VanDerWaalsContact C-N 3.33Å; K410-A412 PolarHBondContact O-N 2.84Å
413N47.6Very low41.8Very low87 Ų87108.3 Ų108.347%0.46556%0.564SS.*G310 helixtrans-116.130.4-163.4-74-40000114E409 K410 L411 R415E409-N413 PolarHBondContact O-ND2 3.49Å; K410-N413 PolarHBondContact O-N 2.87Å; L411-N413 PolarHBondContact O-N 2.92Å; N413-R415 PolarHBondContact O-N 3.17Å
414Y53.7Low40.2Very low31 Ų31110.2 Ų110.212%0.12259%0.586CS.*  trans-61.490.6162.3-66.6-69.1000108.5H192 S194 L197 M284 P285 I416H192-Y414 PolarHBondContact CE1-OH 2.75Å; H192-Y414 VanDerWaalsContact CE1-OH 3.3Å; S194-Y414 PolarHBondContact OG-OH 2.92Å; L197-Y414 HydrophobicContact CD1-CD1 3.52Å; L197-Y414 HydrophobicContact CD1-CD2 4.04Å; L197-Y414 HydrophobicContact CD1-CE1 3.29Å; L197-Y414 HydrophobicContact CD1-CE2 3.82Å; L197-Y414 HydrophobicContact CD1-CG 3.89Å; L197-Y414 VanDerWaalsContact CD1-CZ 3.43Å; L197-Y414 HydrophobicContact CD2-CD2 4.25Å; L197-Y414 HydrophobicContact CD2-CE2 4.38Å; L197-Y414 HydrophobicContact CD2-CG 4.49Å; L197-Y414 HydrophobicContact CG-CD2 4.26Å; L197-Y414 HydrophobicContact CG-CE1 4.29Å; L197-Y414 HydrophobicContact CG-CE2 3.95Å; M284-Y414 HydrophobicContact CE-CD1 4.02Å; M284-Y414 HydrophobicContact CE-CE1 3.67Å; P285-Y414 HydrophobicContact CB-CD1 3.65Å; P285-Y414 HydrophobicContact CB-CE1 3.98Å; Y414-I416 PolarHBondContact O-N 3.02Å
415R45.4Very low38.9Very low175 Ų175107.9 Ų107.966%0.6659%0.589SS**  trans-74.699.9-178.1-74-176.7-177.8161.80.5107.8N413N413-R415 PolarHBondContact O-N 3.17Å
416I49.8Very low37.6Very low38 Ų38109.3 Ų109.320%0.19560%0.597CS.*  trans-114.8-12.9175.4-57.6175.8000111I209 C218 L287 Y414I209-I416 HydrophobicContact CG2-CD1 4.21Å; C218-I416 HydrophobicContact CB-CD1 4.38Å; C218-I416 HydrophobicContact CB-CG2 3.4Å; C218-I416 VanDerWaalsContact CB-CG2 3.4Å; C218-I416 WeakPolarHBondContact SG-CG2 3.4Å; L287-I416 HydrophobicContact CD1-CD1 4.15Å; L287-I416 HydrophobicContact CD1-CG1 4.44Å; Y414-I416 PolarHBondContact O-N 3.02Å
417S37.9Very low36.4Very low84 Ų84110.5 Ų110.559%0.58762%0.62SS**SBendtrans-93.3142.7-179.939.40000113.9R288 S419R288-S417 PolarHBondContact NH2-O 2.84Å; S417-S419 PolarHBondContact O-N 2.69Å
418S34.3Very low35.4Very low53 Ų53113.7 Ų113.737%0.37164%0.643SS.*  trans-69.2100.6153.442.80000107.4N420 D441S418-N420 PolarHBondContact O-N 3.41Å; S418-D441 WeakPolarHBondContact CB-OD1 3.43Å; S418-D441 PolarHBondContact OG-OD1 2.73Å; S418-D441 VanDerWaalsContact OG-OD1 3.1Å
419S26.5Very low34.5Very low98 Ų98112 Ų11269%0.68564%0.643SS**  trans-71.796.517350.60000109S417 S421S417-S419 PolarHBondContact O-N 2.69Å; S419-S421 VanDerWaalsContact C-N 3.29Å; S419-S421 PolarHBondContact O-N 2.81Å
420N25.4Very low33.8Very low161 Ų161110.4 Ų110.486%0.86165%0.647SS**  trans-60.892156.7-85.9-17.9000108.3S418S418-N420 PolarHBondContact O-N 3.41Å
421S23.5Very low32.8Very low96 Ų96110.6 Ų110.667%0.67166%0.661SS**  trans164.8105.1152.7-177.50000109.6S419S419-S421 VanDerWaalsContact C-N 3.29Å; S419-S421 PolarHBondContact O-N 2.81Å
422M25.6Very low31.8Very low185 Ų185113.4 Ų113.491%0.91169%0.685SS**  -171.4145.4111.1-100.8-164.8-8600112
423R20.8Very low30.9Very low233 Ų233113.8 Ų113.888%0.87968%0.682SS**  trans-56.5144.6-175.7-81168.7165.6170.3-5.9113.3S425R423-S425 PolarHBondContact O-N 3.38Å
424S21.5Very low29.8Very low114 Ų114116.1 Ų116.180%0.79770%0.699SS**  trans-21.1123155.558.80000115.1
425S27.3Very low28.3Very low120 Ų120121.5 Ų121.584%0.83973%0.73SS**  trans-143.5138140.651.50000109.6R423R423-S425 PolarHBondContact O-N 3.38Å
426V22.8Very low27.5Very low152 Ų152120 Ų12092%0.92173%0.731SS**  trans-80.2144.1-168.9173.10000109.8
427G24.7Very low26.3Very low68 Ų68125.6 Ų125.670%0.70176%0.762SS**  trans147.3109.1153.700000117.7
428A27.1Very low25.8Very low99 Ų99125.5 Ų125.582%0.81876%0.761SS**  trans85.3115.7130.900000122.3
429D26.6Very low25.4Very low158 Ų158130.5 Ų130.585%0.84578%0.784SS**  trans71.6124.8140.9-81.8-15.6000124.4
430P31.1Very low25.7Very low125 Ų125128.6 Ų128.681%0.81277%0.77SS**  trans-103104.3178.836.6-23.4000111.1
431S24.6Very low26.1Very low105 Ų105125.2 Ų125.273%0.73475%0.752SS**  trans-150.7137.3155.570.70000109.4
432S26Very low26.7Very low111 Ų111121.2 Ų121.278%0.77672%0.724SS**SBendtrans79.9125.7177.880.10000117.1
433S26Very low27.5Very low97 Ų97113.7 Ų113.768%0.67869%0.69SS**SBendtrans42.9121.2169.252.90000117.6L435S433-L435 PolarHBondContact O-N 3.33Å
434V24.9Very low28.6Very low135 Ų135105.7 Ų105.782%0.81867%0.667SS**  trans-60.184.1172.8-178.50000109.7M436V434-M436 PolarHBondContact O-N 2.97Å
435L23Very low29.7Very low145 Ų145101.5 Ų101.576%0.75964%0.636SS**  trans-74.2113.2158-74.9171.2000105.7S433 N437S433-L435 PolarHBondContact O-N 3.33Å; L435-N437 VanDerWaalsContact C-N 3.35Å; L435-N437 PolarHBondContact O-N 2.84Å
436M29Very low30.6Very low142 Ų142102.6 Ų102.670%0.763%0.633SS**  trans-58.292.1178.8-71.1-88.6178.700110.5L233 V434L233-M436 HydrophobicContact CD1-SD 4.25Å; V434-M436 PolarHBondContact O-N 2.97Å
437N22.8Very low31.8Very low156 Ų156101.8 Ų101.883%0.83462%0.618SS**  trans-114.994.3162.8-82.9-6.1000107.6L435L435-N437 VanDerWaalsContact C-N 3.35Å; L435-N437 PolarHBondContact O-N 2.84Å
438S27.5Very low33.1Very low82 Ų8299.7 Ų99.757%0.57359%0.591SS**  trans-151.2124.2154.755.40000109.6S440S438-S440 PolarHBondContact O-N 3.31Å
439D27.3Very low34.8Very low158 Ų158101.5 Ų101.585%0.84559%0.587SS**  trans-61.3121.7172.6-65.5-54.2000110
440S32.8Very low37.1Very low58 Ų5896.2 Ų96.241%0.40656%0.557SS.*  trans-173.5116.5153.620.20000112.6L224 S438 S442L224-S440 WeakPolarHBondContact CD1-O 3.4Å; S438-S440 PolarHBondContact O-N 3.31Å; S440-S442 PolarHBondContact O-N 2.88Å
441D32.7Very low39.4Very low90 Ų9092.5 Ų92.548%0.48153%0.534SS..  trans-15.1110166.1-63.6-44000119.1K235 S418 S443K235-D441 PolarHBondContact NZ-O 3.49Å; S418-D441 WeakPolarHBondContact CB-OD1 3.43Å; S418-D441 PolarHBondContact OG-OD1 2.73Å; S418-D441 VanDerWaalsContact OG-OD1 3.1Å; D441-S443 PolarHBondContact O-N 3.2Å
442S37.4Very low42.3Very low12 Ų1290.5 Ų90.58%0.08451%0.513CS..  trans-61.6112.213953.10000107S440 T444S440-S442 PolarHBondContact O-N 2.88Å; S442-T444 PolarHBondContact O-N 3.36Å
443S41.6Very low45.1Very low27 Ų2786.6 Ų86.619%0.18948%0.483CS..  trans-75.8123.2171.6510000108K235 D441 D445K235-S443 WeakPolarHBondContact CE-OG 3.48Å; K235-S443 PolarHBondContact NZ-OG 2.63Å; D441-S443 PolarHBondContact O-N 3.2Å; S443-D445 WeakPolarHBondContact CB-OD1 3.44Å; S443-D445 PolarHBondContact O-N 3.16Å; S443-D445 PolarHBondContact OG-OD1 2.71Å
444T43.3Very low47.9Very low65 Ų6585.6 Ų85.640%0.39947%0.47SS..  trans-7396.3152.951.20000106.1S442 D446S442-T444 PolarHBondContact O-N 3.36Å; T444-D446 PolarHBondContact O-N 3.31Å
445D44.3Very low50.6Low26 Ų2680.6 Ų80.614%0.13944%0.44CS..  trans-73.5110.8172.8-65.8-11.8000106.8R222 S443 E447R222-D445 IonicContact CZ-OD2 3.78Å; R222-D445 IonicContact NH1-OD2 2.85Å; R222-D445 PolarHBondContact NH1-OD2 3.26Å; S443-D445 WeakPolarHBondContact CB-OD1 3.44Å; S443-D445 PolarHBondContact O-N 3.16Å; S443-D445 PolarHBondContact OG-OD1 2.71Å; D445-E447 PolarHBondContact O-N 3.13Å
446D46.8Very low53.2Low144 Ų14482.7 Ų82.777%0.7744%0.443SS*.G310 helixtrans-7012179.5-80.4-30.9000113.8T444 N448T444-D446 PolarHBondContact O-N 3.31Å; D446-N448 VanDerWaalsContact C-N 3.27Å; D446-N448 PolarHBondContact O-N 2.79Å; D446-N448 VanDerWaalsContact O-N 3.13Å
447E48.1Very low55.3Low134 Ų13482.5 Ų82.563%0.62644%0.441SS*.G310 helixtrans-64.7-20.8-169.3-75.4-170.5149.300115.4K221 D445 N449K221-E447 IonicContact NZ-OE2 3.03Å; K221-E447 PolarHBondContact NZ-OE2 2.89Å; D445-E447 PolarHBondContact O-N 3.13Å; E447-N449 VanDerWaalsContact C-N 3.28Å; E447-N449 PolarHBondContact O-N 3.25Å
448N51.5Low57.8Low24 Ų2475.8 Ų75.813%0.12840%0.404CS..G310 helixtrans-83.46.2-168.6-83.4-8.3000114.5S206 D446 F450S206-N448 PolarHBondContact OG-ND2 3.3Å; D446-N448 VanDerWaalsContact C-N 3.27Å; D446-N448 PolarHBondContact O-N 2.79Å; D446-N448 VanDerWaalsContact O-N 3.13Å; N448-F450 HydrophobicContact CB-CD2 3.29Å; N448-F450 HydrophobicContact CB-CE2 3.02Å; N448-F450 HydrophobicContact CB-CG 4.35Å; N448-F450 HydrophobicContact CB-CZ 3.9Å; N448-F450 VanDerWaalsContact ND2-CE2 3.31Å; N448-F450 WeakPolarHBondContact ND2-CE2 3.33Å; N448-F450 PolarHBondContact O-N 2.73Å
449N64.2Low59.4Low137 Ų13780.7 Ų80.773%0.73342%0.415SS*.  trans48.143.9-177.1-73.3-16.7000112.3E447 S451E447-N449 VanDerWaalsContact C-N 3.28Å; E447-N449 PolarHBondContact O-N 3.25Å; N449-S451 PolarHBondContact O-N 2.79Å
450F73.5Confident60.7Low47 Ų4778.4 Ų78.421%0.20640%0.402CS..  trans-68.9132.3178.4-80.7-83.2000110.8Q180 C181 S208 F210 V219 N448Q180-F450 WeakPolarHBondContact O-CA 3.21Å; C181-F450 HydrophobicContact CB-CD1 4.21Å; C181-F450 HydrophobicContact CB-CE1 3.48Å; C181-F450 VanDerWaalsContact CB-CE1 3.48Å; C181-F450 HydrophobicContact CB-CZ 4Å; C181-F450 WeakPolarHBondContact SG-CE1 3.41Å; S208-F450 WeakPolarHBondContact OG-CE1 3.39Å; S208-F450 WeakPolarHBondContact OG-CE2 3.35Å; S208-F450 WeakPolarHBondContact OG-CZ 3.16Å; F210-F450 HydrophobicContact CE1-CD1 4.28Å; F210-F450 HydrophobicContact CZ-CD1 4.15Å; F210-F450 AromaticContact CZ-CE1 3.96Å; F210-F450 HydrophobicContact CZ-CE1 3.96Å; V219-F450 HydrophobicContact CB-CE2 4.49Å; V219-F450 HydrophobicContact CG1-CE2 4.35Å; V219-F450 HydrophobicContact CG2-CD2 3.51Å; V219-F450 HydrophobicContact CG2-CE2 3.31Å; V219-F450 HydrophobicContact CG2-CZ 4.29Å; N448-F450 HydrophobicContact CB-CD2 3.29Å; N448-F450 HydrophobicContact CB-CE2 3.02Å; N448-F450 HydrophobicContact CB-CG 4.35Å; N448-F450 HydrophobicContact CB-CZ 3.9Å; N448-F450 VanDerWaalsContact ND2-CE2 3.31Å; N448-F450 WeakPolarHBondContact ND2-CE2 3.33Å; N448-F450 PolarHBondContact O-N 2.73Å
451S80.9Confident61.3Low48 Ų4878.3 Ų78.334%0.33641%0.405SS..EExtended strand (participates in β ladder)trans-133.313517459.80000111W179 Q180 N449W179-S451 WeakPolarHBondContact CA-O 3.39Å; Q180-S451 PolarHBondContact N-O 2.79Å; Q180-S451 PolarHBondContact O-N 3Å; N449-S451 PolarHBondContact O-N 2.79Å
452E84.3Confident61.2Low63 Ų6378.1 Ų78.129%0.29442%0.416SS..EExtended strand (participates in β ladder)trans-72.6131.3160.9-174167.5-152.700108.5R177 V215R177-E452 IonicContact CZ-OE1 2.69Å; R177-E452 IonicContact NE-OE1 3.97Å; R177-E452 IonicContact NH1-OE1 2.76Å; R177-E452 PolarHBondContact NH1-OE1 2.96Å; R177-E452 IonicContact NH1-OE2 3.7Å; V215-E452 WeakPolarHBondContact CG1-OE2 3.36Å
453I86.1Confident61Low28 Ų2880.9 Ų80.914%0.14445%0.447CS..EExtended strand (participates in β ladder)trans-108.3131.9179.9-59.4-64.2000107.8V134 A178 Q180 P455V134-I453 HydrophobicContact CG1-CB 3.45Å; V134-I453 VanDerWaalsContact CG1-CB 3.45Å; V134-I453 HydrophobicContact CG1-CG1 3.46Å; V134-I453 VanDerWaalsContact CG1-CG1 3.46Å; V134-I453 HydrophobicContact CG1-CG2 3.54Å; A178-I453 HydrophobicContact CB-CB 4.41Å; A178-I453 PolarHBondContact O-N 3.27Å; Q180-I453 HydrophobicContact CB-CG1 4.2Å; I453-P455 VanDerWaalsContact O-CD 3.24Å; I453-P455 WeakPolarHBondContact O-CD 3.47Å
454N82.9Confident60.4Low76 Ų7684.5 Ų84.541%0.40647%0.467SS..  trans-63.9121.4177.6-176.2-17.4000109.1K456 Q457N454-K456 PolarHBondContact O-N 3.01Å; N454-K456 WeakPolarHBondContact OD1-CB 3.44Å; N454-K456 PolarHBondContact OD1-N 3.17Å; N454-Q457 HydrophobicContact CB-CG 4.05Å; N454-Q457 WeakPolarHBondContact O-CB 3.48Å; N454-Q457 PolarHBondContact O-N 3.27Å
455P82.5Confident59.6Low30 Ų3090.8 Ų90.820%0.19549%0.489CS..G310 helixtrans-54.7-26.8178.8-28.837000114P175 I453 Q457 M458P175-P455 HydrophobicContact CB-CB 3.98Å; P175-P455 HydrophobicContact CG-CB 3.83Å; P175-P455 WeakPolarHBondContact O-CB 3.35Å; I453-P455 VanDerWaalsContact O-CD 3.24Å; I453-P455 WeakPolarHBondContact O-CD 3.47Å; P455-Q457 VanDerWaalsContact C-N 3.27Å; P455-Q457 PolarHBondContact O-N 3.34Å; P455-M458 WeakPolarHBondContact O-CB 3.1Å; P455-M458 PolarHBondContact O-N 2.73Å
456K78.8Confident58.7Low189 Ų18993.1 Ų93.182%0.82252%0.519SS*.G310 helixtrans-69.9-20.5176-62.7-177.3179.4179.80114N454N454-K456 PolarHBondContact O-N 3.01Å; N454-K456 WeakPolarHBondContact OD1-CB 3.44Å; N454-K456 PolarHBondContact OD1-N 3.17Å
457Q72.6Confident57.7Low139 Ų13992.1 Ų92.165%0.6551%0.512SS*.G310 helixtrans-85.5-17.6177.1-67.9173.5-11.500112.3N454 P455 K459N454-Q457 HydrophobicContact CB-CG 4.05Å; N454-Q457 WeakPolarHBondContact O-CB 3.48Å; N454-Q457 PolarHBondContact O-N 3.27Å; P455-Q457 VanDerWaalsContact C-N 3.27Å; P455-Q457 PolarHBondContact O-N 3.34Å; Q457-K459 PolarHBondContact O-N 3.14Å
458M75.4Confident56.6Low14 Ų1495 Ų957%0.06953%0.526CS..SBendtrans-64.4123.3172.2-63.9-179.175.300108.3V134 I166 W168 P175 A178 P455 I460V134-M458 HydrophobicContact CB-CE 4.29Å; V134-M458 HydrophobicContact CG1-CG 4.49Å; V134-M458 HydrophobicContact CG2-CE 3.94Å; V134-M458 HydrophobicContact CG2-SD 4.49Å; I166-M458 HydrophobicContact CD1-CE 3.48Å; I166-M458 VanDerWaalsContact CD1-CE 3.48Å; I166-M458 HydrophobicContact CG1-CE 4.09Å; W168-M458 HydrophobicContact CH2-CE 4.41Å; P175-M458 HydrophobicContact CB-SD 3.92Å; P175-M458 HydrophobicContact CG-SD 3.92Å; A178-M458 HydrophobicContact CB-SD 3.58Å; A178-M458 VanDerWaalsContact CB-SD 3.58Å; P455-M458 WeakPolarHBondContact O-CB 3.1Å; P455-M458 PolarHBondContact O-N 2.73Å; M458-I460 VanDerWaalsContact C-N 3.35Å; M458-I460 PolarHBondContact O-N 3.24Å
459K61.4Low55.5Low185 Ų18598.5 Ų98.580%0.80455%0.552SS**  trans-64.999.4170.7-74.8-175.1179.8178.40107.7Q457 A461Q457-K459 PolarHBondContact O-N 3.14Å; K459-A461 PolarHBondContact O-N 3.45Å
460I53.6Low53.6Low110 Ų110101.2 Ų101.256%0.56456%0.557SS**  trans-63.8112.5168-56.8171.2000105.1L174 M458 A462L174-I460 HydrophobicContact CD2-CD1 3.66Å; M458-I460 VanDerWaalsContact C-N 3.35Å; M458-I460 PolarHBondContact O-N 3.24Å; I460-A462 PolarHBondContact O-N 3.01Å
461A46.3Very low51.2Low57 Ų57104.7 Ų104.747%0.47159%0.587SS.*  trans-61.990.9166.200000106.7F131 K459 G463F131-A461 HydrophobicContact CD2-CB 4.15Å; F131-A461 HydrophobicContact CE2-CB 4.26Å; K459-A461 PolarHBondContact O-N 3.45Å; A461-G463 PolarHBondContact O-N 2.81Å
462A30.8Very low48.6Very low85 Ų85107.5 Ų107.570%0.70261%0.607SS**  trans-53.3119170.200000106.1I460 V464I460-A462 PolarHBondContact O-N 3.01Å; A462-V464 PolarHBondContact O-N 2.8Å
463G31.6Very low45.7Very low71 Ų71109.9 Ų109.973%0.73263%0.63SS**  trans-36.3112.2-165.200000112.4A461 K465A461-G463 PolarHBondContact O-N 2.81Å; G463-K465 VanDerWaalsContact C-N 3.31Å; G463-K465 PolarHBondContact O-N 3.37Å
464V29.1Very low42.8Very low102 Ų102113.4 Ų113.462%0.61866%0.657SS**  trans-61.598.9173.2177.80000106.5A462 G466 I467A462-V464 PolarHBondContact O-N 2.8Å; V464-G466 PolarHBondContact O-N 3.49Å; V464-I467 HydrophobicContact CG1-CB 4.21Å; V464-I467 HydrophobicContact CG1-CD1 3.94Å; V464-I467 HydrophobicContact CG1-CG1 3.83Å
465K26.6Very low40.1Very low198 Ų198117.9 Ų117.986%0.86168%0.676SS**  trans-64.1105.3162.1-80-174.9175.7-179.50106.2G463 I467G463-K465 VanDerWaalsContact C-N 3.31Å; G463-K465 PolarHBondContact O-N 3.37Å; K465-I467 PolarHBondContact O-N 3.47Å
466G25.9Very low37.2Very low75 Ų75121.7 Ų121.777%0.77370%0.702SS**  trans22.281.4166.900000115.7V464 H468V464-G466 PolarHBondContact O-N 3.49Å; G466-H468 PolarHBondContact O-N 3.41Å
467I26Very low34.6Very low122 Ų122120.8 Ų120.863%0.62670%0.701SS**  trans-86.4104.3160.5-62174.7000105.6V464 K465 S469V464-I467 HydrophobicContact CG1-CB 4.21Å; V464-I467 HydrophobicContact CG1-CD1 3.94Å; V464-I467 HydrophobicContact CG1-CG1 3.83Å; K465-I467 PolarHBondContact O-N 3.47Å; I467-S469 PolarHBondContact O-N 3.42Å
468H24.8Very low32.3Very low196 Ų196119.7 Ų119.791%0.90770%0.704SS**  trans-62.876.9153.4-82.8-60000107.6G466 K470G466-H468 PolarHBondContact O-N 3.41Å; H468-K470 PolarHBondContact O-N 3.47Å
469S28.2Very low29.8Very low97 Ų97123.6 Ų123.668%0.67873%0.728SS**  trans-79107.3171.2480000106.5I467 S471I467-S469 PolarHBondContact O-N 3.42Å; S469-S471 PolarHBondContact O-N 2.93Å
470K24.3Very low28Very low194 Ų194122.8 Ų122.884%0.84373%0.727SS**  trans-39.4128.6164-73.9176.1173.5178.40109.3H468 S472H468-K470 PolarHBondContact O-N 3.47Å; K470-S472 PolarHBondContact O-N 2.99Å
471S24.1Very low27.2Very low120 Ų120126.5 Ų126.584%0.83973%0.734SS**  trans-33.3104.1166.654.80000111.7S469S469-S471 PolarHBondContact O-N 2.93Å
472S24.6Very low26.2Very low106 Ų106129.3 Ų129.374%0.74175%0.745SS**  trans-107.1105.7139.250.90000104.3K470 S474K470-S472 PolarHBondContact O-N 2.99Å; S472-S474 PolarHBondContact O-N 2.86Å
473S24.7Very low26Very low113 Ų113128.2 Ų128.279%0.7974%0.742SS**  trans-58.685.8174.446.40000108.8
474S25.2Very low25.6Very low102 Ų102132.9 Ų132.971%0.71375%0.751SS**  trans-83.6103.2149.739.90000104.5S472 C476S472-S474 PolarHBondContact O-N 2.86Å; S474-C476 VanDerWaalsContact C-N 3.29Å; S474-C476 PolarHBondContact O-N 3.41Å
475E24.8Very low25.6Very low171 Ų171132.6 Ų132.680%0.79975%0.753SS**  trans-55.298.8169-71.8174.5157.100107.2Q477E475-Q477 VanDerWaalsContact C-N 3.28Å; E475-Q477 PolarHBondContact O-N 3.01Å
476C23.2Very low25.5Very low109 Ų109135 Ų13574%0.73676%0.757SS**  trans-60.2104.6154.8-77.60000104.8S474 T478S474-C476 VanDerWaalsContact C-N 3.29Å; S474-C476 PolarHBondContact O-N 3.41Å; C476-T478 PolarHBondContact O-N 3.34Å
477Q23.1Very low25.6Very low171 Ų171137.5 Ų137.580%0.79976%0.757SS**  trans-63.488.9165.5-76.9-176.8-7.600107E475 V479E475-Q477 VanDerWaalsContact C-N 3.28Å; E475-Q477 PolarHBondContact O-N 3.01Å; Q477-V479 PolarHBondContact O-N 3.25Å
478T24.3Very low25.6Very low115 Ų115139.8 Ų139.871%0.70677%0.765SS**  trans-57109.4152.4-54.80000104.5C476 E480C476-T478 PolarHBondContact O-N 3.34Å; T478-E480 HydrophobicContact CG2-CG 4.46Å; T478-E480 PolarHBondContact O-N 2.88Å
479V24.2Very low25.6Very low96 Ų96139.4 Ų139.458%0.58276%0.764SS**  trans-69.490.3170.2-165.50000105.5Q477 R481Q477-V479 PolarHBondContact O-N 3.25Å; V479-R481 HydrophobicContact CB-CG 4.19Å; V479-R481 HydrophobicContact CG1-CG 3.44Å; V479-R481 VanDerWaalsContact CG1-CG 3.44Å; V479-R481 PolarHBondContact O-N 3.47Å
480E23.3Very low25.6Very low168 Ų168142.9 Ų142.979%0.78577%0.769SS**  trans-62.189.7164.9-75.2-172.9162.600106.9T478 T482T478-E480 HydrophobicContact CG2-CG 4.46Å; T478-E480 PolarHBondContact O-N 2.88Å; E480-T482 VanDerWaalsContact C-N 3.29Å; E480-T482 PolarHBondContact O-N 3.26Å; E480-T482 VanDerWaalsContact O-N 3.17Å
481R36.3Very low25.5Very low189 Ų189146 Ų14671%0.71378%0.776SS**  trans-87.180.3173.5-66.8-169.2177.2159.83.1107.5V479 G483V479-R481 HydrophobicContact CB-CG 4.19Å; V479-R481 HydrophobicContact CG1-CG 3.44Å; V479-R481 VanDerWaalsContact CG1-CG 3.44Å; V479-R481 PolarHBondContact O-N 3.47Å; R481-G483 PolarHBondContact O-N 3.39Å; R481-G483 VanDerWaalsContact O-N 3.08Å
482T25.8Very low25.6Very low115 Ų115143.7 Ų143.771%0.70676%0.764SS**  trans-57.6111.116351.80000107.3E480 D484E480-T482 VanDerWaalsContact C-N 3.29Å; E480-T482 PolarHBondContact O-N 3.26Å; E480-T482 VanDerWaalsContact O-N 3.17Å; T482-D484 PolarHBondContact O-N 3.05Å
483G26.4Very low25.8Very low62 Ų62146 Ų14664%0.63977%0.768SS**  trans-56.9124.8155.900000106.2R481 S485R481-G483 PolarHBondContact O-N 3.39Å; R481-G483 VanDerWaalsContact O-N 3.08Å; G483-S485 VanDerWaalsContact C-N 3.29Å; G483-S485 PolarHBondContact O-N 3Å
484D23.7Very low26Very low170 Ų170150.1 Ų150.191%0.90977%0.774SS**  trans-53.794.3175.8-83.8-38.9000109.3T482T482-D484 PolarHBondContact O-N 3.05Å
485S28.3Very low26.4Very low96 Ų96150.1 Ų150.167%0.67177%0.774SS**  trans-11398.316559.80000106.6G483 T487G483-S485 VanDerWaalsContact C-N 3.29Å; G483-S485 PolarHBondContact O-N 3Å; S485-T487 PolarHBondContact O-N 3.42Å
486R25.2Very low26.8Very low248 Ų248149 Ų14994%0.93677%0.768SS**  trans-55.6104.9162.6-77.5179.7172.3179.8-2.9107.2E488R486-E488 VanDerWaalsContact C-N 3.31Å; R486-E488 PolarHBondContact O-N 2.98Å
487T26.4Very low27.4Very low128 Ų128148.9 Ų148.979%0.78577%0.769SS**  trans-74.283.9172.533.10000109S485 Q489S485-T487 PolarHBondContact O-N 3.42Å; T487-Q489 PolarHBondContact O-N 3.37Å
488E26.5Very low28.2Very low170 Ų170146.1 Ų146.179%0.79476%0.756SS**  trans-80.2107.8154.1-78.8-169.4167.300108.2R486 H490R486-E488 VanDerWaalsContact C-N 3.31Å; R486-E488 PolarHBondContact O-N 2.98Å; E488-H490 PolarHBondContact O-N 3.44Å
489Q24.6Very low29.3Very low188 Ų188147.4 Ų147.488%0.87976%0.759SS**  trans-62.396.7172.8-74.1175.9-21.900109.9T487T487-Q489 PolarHBondContact O-N 3.37Å
490H28.1Very low30.8Very low169 Ų169145.4 Ų145.478%0.78275%0.746SS**  trans-114.2103.4154.3-86-73000108.9E488 A492E488-H490 PolarHBondContact O-N 3.44Å; H490-A492 PolarHBondContact O-N 3Å; H490-A492 VanDerWaalsContact O-N 3.09Å
491R21.8Very low32.8Very low261 Ų261143 Ų14399%0.98573%0.733SS**  trans-55.4108.3160.5-84.8178.7169.1165.7-3.5107.6
492A27.8Very low34.4Very low71 Ų71136.4 Ų136.459%0.58771%0.714SS**  trans-134.7133165.300000108.3H490H490-A492 PolarHBondContact O-N 3Å; H490-A492 VanDerWaalsContact O-N 3.09Å
493D27.5Very low36.5Very low154 Ų154139.5 Ų139.582%0.82471%0.713SS**  trans-55.4141.2-167.8-69.4-50.7000114.5S495D493-S495 PolarHBondContact O-N 3.48Å
494H30.3Very low38.3Very low199 Ų199143.6 Ų143.692%0.92171%0.709SS**SBendtrans-6790.8-177.1-69.3-75.1000112.6
495S31.8Very low40Very low102 Ų102138.8 Ų138.871%0.71368%0.683SS**  trans-151.754.5150.457.60000110.4D493 S497D493-S495 PolarHBondContact O-N 3.48Å; S495-S497 VanDerWaalsContact C-N 3.28Å; S495-S497 PolarHBondContact O-N 3.23Å
496H33.8Very low41.3Very low147 Ų147139.1 Ų139.168%0.68169%0.685SS**  trans-80.675173-83.1-19.6000111.4Q498H496-Q498 HydrophobicContact CB-CG 4.4Å; H496-Q498 PolarHBondContact O-N 3.01Å; H496-Q498 VanDerWaalsContact O-N 3.16Å
497S35.8Very low42.6Very low108 Ų108128.5 Ų128.576%0.75565%0.646SS**  trans-77.470.9145.3510000108S495 N499S495-S497 VanDerWaalsContact C-N 3.28Å; S495-S497 PolarHBondContact O-N 3.23Å; S497-N499 PolarHBondContact O-N 3.16Å
498Q41.2Very low43.6Very low113 Ų113130.2 Ų130.253%0.52865%0.645SS.*  trans-53.5140165.3-75-172-5.300108.6H496 V500H496-Q498 HydrophobicContact CB-CG 4.4Å; H496-Q498 PolarHBondContact O-N 3.01Å; H496-Q498 VanDerWaalsContact O-N 3.16Å; Q498-V500 VanDerWaalsContact C-N 3.28Å; Q498-V500 VanDerWaalsContact O-CG2 3.28Å; Q498-V500 WeakPolarHBondContact O-CG2 3.36Å; Q498-V500 PolarHBondContact O-N 3.45Å
499N47.5Very low44.7Very low142 Ų142126.8 Ų126.876%0.75964%0.638SS**  trans-29.675.2-176.9-70.2-49.5000116S497 K501S497-N499 PolarHBondContact O-N 3.16Å; N499-K501 PolarHBondContact O-N 3.31Å
500V54.1Low45.7Very low53 Ų53121.6 Ų121.632%0.32162%0.619SS.*  trans-66.9108.6176.31790000107.2V3 I351 Q498 V502V3-V500 HydrophobicContact CB-CG1 4.14Å; V3-V500 HydrophobicContact CG1-CG1 4.44Å; V3-V500 HydrophobicContact CG2-CG1 3.95Å; I351-V500 HydrophobicContact CG2-CG1 4.44Å; Q498-V500 VanDerWaalsContact C-N 3.28Å; Q498-V500 VanDerWaalsContact O-CG2 3.28Å; Q498-V500 WeakPolarHBondContact O-CG2 3.36Å; Q498-V500 PolarHBondContact O-N 3.45Å; V500-V502 HydrophobicContact CG1-CG2 3.78Å; V500-V502 PolarHBondContact O-N 3.07Å
501K65.7Low46.3Very low118 Ų118122 Ų12251%0.51362%0.621SS.*EExtended strand (participates in β ladder)trans-87.192.9176.9-70.9-179.5-176.6174.30108.3A352 N499A352-K501 PolarHBondContact N-O 2.75Å; A352-K501 PolarHBondContact O-N 2.98Å; N499-K501 PolarHBondContact O-N 3.31Å
502V69.4Low47.5Very low50 Ų50117.6 Ų117.630%0.30362%0.617SS.*EExtended strand (participates in β ladder)trans-89.8112.3165.3-171.80000108M1 V3 V500 R504M1-V502 HydrophobicContact CB-CG1 4.01Å; V3-V502 HydrophobicContact CG2-CG2 3.66Å; V500-V502 HydrophobicContact CG1-CG2 3.78Å; V500-V502 PolarHBondContact O-N 3.07Å; V502-R504 HydrophobicContact CG1-CG 4.32Å
503R71Confident48Very low180 Ų180121.3 Ų121.368%0.67966%0.663SS**EExtended strand (participates in β ladder)trans-105.7120.6169.8-72.5-173.9174.9-178.8-1.8109G349 C350G349-R503 WeakPolarHBondContact CA-O 3.44Å; C350-R503 PolarHBondContact N-O 2.83Å; C350-R503 PolarHBondContact O-N 3.03Å
504R62.8Low49Very low149 Ų149119.7 Ų119.756%0.56266%0.655SS**EExtended strand (participates in β ladder)trans-104.2138.4169.5-56.5-175.9-168170.92107.9M1 E389 V502M1-R504 VanDerWaalsContact C-NH2 3.27Å; M1-R504 HydrophobicContact CB-CG 4.45Å; M1-R504 HydrophobicContact CE-CG 4.45Å; M1-R504 PolarHBondContact O-NE 3.07Å; M1-R504 PolarHBondContact O-NH2 3.4Å; E389-R504 IonicContact OE1-NE 3.37Å; V502-R504 HydrophobicContact CG1-CG 4.32Å
505I59.6Low50Low69 Ų69115.5 Ų115.535%0.35464%0.641SS.*  trans-99.5115.1166-54-169000106.3R346 P347 I348 L507R346-I505 HydrophobicContact CG-CD1 4.39Å; P347-I505 WeakPolarHBondContact O-CD1 3.41Å; I348-I505 PolarHBondContact O-N 2.83Å; I505-L507 HydrophobicContact CG2-CD2 4.33Å; I505-L507 PolarHBondContact O-N 3.43Å
506S55.5Low51Low102 Ų102116.3 Ų116.371%0.71364%0.637SS**  trans-64.3125.6173.2-169.20000108.5
507L53.1Low52Low26 Ų26114.5 Ų114.514%0.13663%0.634CS.*  trans-112.695.3178-62.3174.5000106.6R313 I348 I505R313-L507 VanDerWaalsContact NH1-CD1 3.33Å; I348-L507 HydrophobicContact CB-CD1 4.33Å; I348-L507 HydrophobicContact CG2-CD1 3.75Å; I505-L507 HydrophobicContact CG2-CD2 4.33Å; I505-L507 PolarHBondContact O-N 3.43Å
508Q48.8Very low53Low163 Ų163114.9 Ų114.976%0.76263%0.626SS**PPolyproline II helixtrans-77.6133175-72-172.9-2200109.7
509P48.6Very low53.8Low98 Ų98115 Ų11564%0.63663%0.633SS**PPolyproline II helixtrans-60143.4160.6-14.228.1000109E511P509-E511 PolarHBondContact O-N 3.31Å
510V45.8Very low54.3Low79 Ų79113.1 Ų113.148%0.47962%0.624SS.*PPolyproline II helixtrans-71.9120.8167.51800000106.4K316 D512K316-V510 HydrophobicContact CG-CG2 4.42Å; V510-D512 PolarHBondContact O-N 3.23Å
511E41.6Very low54.3Low177 Ų177117.7 Ų117.783%0.82765%0.647SS**PPolyproline II helixtrans-61.9124.2165.7-70.3-175.8162.700107.4P509 G513P509-E511 PolarHBondContact O-N 3.31Å; E511-G513 PolarHBondContact O-N 3.22Å
512D46.1Very low53.3Low169 Ų169117.7 Ų117.790%0.90466%0.658SS**  trans-55.9110.9172.7-73.6-35000107.7V510V510-D512 PolarHBondContact O-N 3.23Å
513G37.5Very low51.8Low150 Ų150123.8 Ų123.8100%1.54669%0.691SS**  trans-81.50174.600000111.9E511E511-G513 PolarHBondContact O-N 3.22Å

Retrieved 513 of 513 residues in 653.1 ms (Link to these results)

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