A0A077ZKK6_TRITR Loading...

ETFB lysine methyltransferase

AlphaFold DB , UniProt , Accession A0A077ZKK6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 315 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M57.5Low82.8Confident160 Ų16040.5 Ų40.579%0.78819%0.194SC*.  0149.80-72.6-168.7-173.100108.3E107M1-E107 PolarHBondContact N-OE2 3.39Å; M1-E107 WeakPolarHBondContact O-CB 3.42Å; M1-E107 PolarHBondContact O-N 3.43Å
2K65.3Low82.9Confident83 Ų8339 Ų3936%0.36119%0.191SC..EExtended strand (participates in β ladder)trans-98.1142.4172.3-70.5165.4162.3-137.20108.2E70 E104K2-E70 HydrophobicContact CB-CB 4.43Å; K2-E70 WeakPolarHBondContact O-CB 3.47Å; K2-E70 PolarHBondContact O-N 2.79Å; K2-E104 WeakPolarHBondContact CD-OE1 3.38Å; K2-E104 WeakPolarHBondContact CE-OE1 2.88Å; K2-E104 IonicContact NZ-OE1 2.66Å; K2-E104 PolarHBondContact NZ-OE1 2.94Å
3W76.7Confident83.1Confident6 Ų644.3 Ų44.32%0.02322%0.215CC..EExtended strand (participates in β ladder)trans-116.1144.7174.1-7185.1000108.3S28 P69 V105 M152W3-S28 WeakPolarHBondContact CZ3-OG 3.38Å; W3-P69 HydrophobicContact CE3-CB 4.39Å; W3-P69 HydrophobicContact CH2-CB 4.22Å; W3-P69 HydrophobicContact CZ3-CB 4.01Å; W3-P69 HydrophobicContact CZ3-CG 4.4Å; W3-V105 PolarHBondContact N-O 3.44Å; W3-V105 PolarHBondContact O-N 3.47Å; W3-M152 HydrophobicContact CH2-CE 4.29Å; W3-M152 HydrophobicContact CZ2-CE 4.42Å; W3-M152 HydrophobicContact CZ2-SD 4.24Å
4N81.5Confident83.5Confident37 Ų3741.1 Ų41.120%0.19820%0.199CC..EExtended strand (participates in β ladder)trans-100.4126.8166.7-59-65.9000108.3Y67 F68 L74 S103N4-Y67 WeakPolarHBondContact O-CA 3.32Å; N4-F68 PolarHBondContact N-O 3.17Å; N4-F68 PolarHBondContact O-N 2.89Å; N4-L74 HydrophobicContact CB-CD1 3.22Å; N4-L74 HydrophobicContact CB-CG 4.01Å; N4-S103 CarbonylContact C-O 3.56Å; N4-S103 WeakPolarHBondContact CA-O 3.44Å
5E87.6Confident83.7Confident14 Ų1438.9 Ų38.97%0.06519%0.189CC..EExtended strand (participates in β ladder)trans-95.8131.2173.2178-168.170.400108.9K7 A66 Y67 V102 S103 V105E5-K7 VanDerWaalsContact CD-CE 3.5Å; E5-K7 HydrophobicContact CG-CG 3.89Å; E5-K7 WeakPolarHBondContact OE1-CD 2.99Å; E5-K7 VanDerWaalsContact OE1-CE 3.25Å; E5-K7 WeakPolarHBondContact OE1-CE 3.38Å; E5-K7 WeakPolarHBondContact OE1-CG 3.39Å; E5-K7 IonicContact OE1-NZ 2.85Å; E5-K7 PolarHBondContact OE1-NZ 2.75Å; E5-K7 WeakPolarHBondContact OE2-CE 3.49Å; E5-K7 IonicContact OE2-NZ 3.64Å; E5-K7 PolarHBondContact OE2-NZ 3.49Å; E5-K7 VanDerWaalsContact OE2-NZ 3.08Å; E5-A66 CarbonylContact C-O 3.59Å; E5-A66 WeakPolarHBondContact CA-O 3.31Å; E5-Y67 HydrophobicContact CB-CD1 3.84Å; E5-Y67 HydrophobicContact CB-CE1 3.71Å; E5-Y67 HydrophobicContact CG-CD1 4.03Å; E5-Y67 HydrophobicContact CG-CE1 3.52Å; E5-Y67 WeakPolarHBondContact OE2-CE1 3.41Å; E5-Y67 PolarHBondContact OE2-OH 2.81Å; E5-V102 CarbonylContact O-C 3.55Å; E5-V102 VanDerWaalsContact O-CA 3.26Å; E5-V102 WeakPolarHBondContact O-CA 3.43Å; E5-S103 PolarHBondContact N-O 2.81Å; E5-S103 PolarHBondContact O-N 2.96Å; E5-S103 PolarHBondContact OE1-OG 2.98Å; E5-V105 HydrophobicContact CB-CG2 3.57Å
6V89Confident83.7Confident0 Ų041.8 Ų41.80%020%0.202CC..EExtended strand (participates in β ladder)trans-111.4112.2169.3-178.80000107.3V8 L22 M65 A66 F68 L74 L78 V100 E101 V102V6-V8 HydrophobicContact CG1-CG2 4.31Å; V6-L22 HydrophobicContact CB-CD2 4.39Å; V6-L22 HydrophobicContact CG1-CD2 3.98Å; V6-M65 WeakPolarHBondContact O-CA 3.19Å; V6-A66 PolarHBondContact N-O 2.89Å; V6-A66 PolarHBondContact O-N 3.01Å; V6-F68 HydrophobicContact CB-CD2 4.35Å; V6-F68 HydrophobicContact CB-CE2 3.86Å; V6-F68 HydrophobicContact CG2-CD2 3.69Å; V6-F68 HydrophobicContact CG2-CE2 3.5Å; V6-F68 VanDerWaalsContact CG2-CE2 3.5Å; V6-F68 HydrophobicContact CG2-CZ 4.49Å; V6-L74 HydrophobicContact CG2-CD1 3.71Å; V6-L74 HydrophobicContact CG2-CD2 3.96Å; V6-L78 HydrophobicContact CG1-CD2 4.13Å; V6-L78 HydrophobicContact CG2-CD2 4.03Å; V6-V100 HydrophobicContact CG1-CG1 3.74Å; V6-E101 CarbonylContact C-O 3.52Å; V6-E101 WeakPolarHBondContact CA-O 3.47Å; V6-V102 HydrophobicContact CG2-CG2 4.35Å
7K91.1Very high83.8Confident61 Ų6140.7 Ų40.727%0.26520%0.202SC..EExtended strand (participates in β ladder)trans-97.5131.6174.5-59.3-169.5144.4112.70109.5E5 V63 V64 M65 V100 E101E5-K7 VanDerWaalsContact CD-CE 3.5Å; E5-K7 HydrophobicContact CG-CG 3.89Å; E5-K7 WeakPolarHBondContact OE1-CD 2.99Å; E5-K7 VanDerWaalsContact OE1-CE 3.25Å; E5-K7 WeakPolarHBondContact OE1-CE 3.38Å; E5-K7 WeakPolarHBondContact OE1-CG 3.39Å; E5-K7 IonicContact OE1-NZ 2.85Å; E5-K7 PolarHBondContact OE1-NZ 2.75Å; E5-K7 WeakPolarHBondContact OE2-CE 3.49Å; E5-K7 IonicContact OE2-NZ 3.64Å; E5-K7 PolarHBondContact OE2-NZ 3.49Å; E5-K7 VanDerWaalsContact OE2-NZ 3.08Å; K7-V63 HydrophobicContact CB-CG1 4.33Å; K7-V64 CarbonylContact C-O 3.52Å; K7-V64 WeakPolarHBondContact CA-O 3.35Å; K7-M65 HydrophobicContact CD-CG 4.28Å; K7-M65 HydrophobicContact CD-SD 4.31Å; K7-M65 WeakPolarHBondContact CE-SD 3.43Å; K7-M65 HydrophobicContact CG-CB 4.42Å; K7-M65 HydrophobicContact CG-CG 3.92Å; K7-V100 CarbonylContact O-C 3.56Å; K7-V100 VanDerWaalsContact O-CA 3.27Å; K7-V100 WeakPolarHBondContact O-CA 3.34Å; K7-E101 HydrophobicContact CB-CB 4.35Å; K7-E101 PolarHBondContact N-O 2.87Å; K7-E101 PolarHBondContact O-N 2.88Å
8V91.2Very high84.1Confident0 Ų038.4 Ų38.40%019%0.191CC..EExtended strand (participates in β ladder)trans-121.7107.8176-176.10000108.8V6 V18 L22 V63 V64 I85 I99 V100V6-V8 HydrophobicContact CG1-CG2 4.31Å; V8-V18 HydrophobicContact CB-CG1 3.66Å; V8-V18 HydrophobicContact CG1-CG1 3.61Å; V8-V18 HydrophobicContact CG1-CG2 4.34Å; V8-V18 HydrophobicContact CG2-CG1 3.99Å; V8-L22 HydrophobicContact CG2-CD1 3.97Å; V8-L22 HydrophobicContact CG2-CD2 4.28Å; V8-V63 WeakPolarHBondContact O-CA 3.18Å; V8-V64 HydrophobicContact CB-CB 4.48Å; V8-V64 PolarHBondContact N-O 2.99Å; V8-V64 PolarHBondContact O-N 3.3Å; V8-I85 HydrophobicContact CG1-CD1 3.93Å; V8-I85 HydrophobicContact CG2-CD1 4Å; V8-I99 CarbonylContact C-O 3.53Å; V8-I99 VanDerWaalsContact CA-O 3.3Å; V8-I99 WeakPolarHBondContact CA-O 3.45Å; V8-V100 HydrophobicContact CG1-CG2 4.37Å; V8-V100 HydrophobicContact CG2-CG1 4.39Å; V8-V100 HydrophobicContact CG2-CG2 4.18Å
9T91.9Very high84.2Confident22 Ų2237 Ų3714%0.13519%0.185CC..EExtended strand (participates in β ladder)trans-79.2121.1168.5-47.70000109.3A62 V63 K97 N98 I99T9-A62 CarbonylContact C-O 3.55Å; T9-A62 WeakPolarHBondContact CA-O 3.37Å; T9-V63 HydrophobicContact CG2-CG2 4.2Å; T9-K97 HydrophobicContact CG2-CB 4.27Å; T9-K97 HydrophobicContact CG2-CD 4.24Å; T9-N98 CarbonylContact O-C 3.55Å; T9-N98 WeakPolarHBondContact O-CA 3.15Å; T9-N98 PolarHBondContact O-N 3.26Å; T9-I99 PolarHBondContact N-O 3.2Å; T9-I99 PolarHBondContact O-N 2.87Å; T9-I99 VanDerWaalsContact O-N 3.11Å
10T90.2Very high84.2Confident2 Ų239.3 Ų39.31%0.01220%0.197CC..EExtended strand (participates in β ladder)trans-140.6177.4-175.7-173.90000110.7A14 V15 V18 G61 A62 V64 I95T10-A14 VanDerWaalsContact OG1-CB 3.26Å; T10-A14 WeakPolarHBondContact OG1-CB 3.46Å; T10-V15 HydrophobicContact CG2-CG2 4.21Å; T10-V18 HydrophobicContact CG2-CG2 4.14Å; T10-G61 WeakPolarHBondContact O-CA 3.37Å; T10-A62 PolarHBondContact N-O 3.47Å; T10-A62 PolarHBondContact O-N 3.43Å; T10-V64 HydrophobicContact CG2-CG2 4.08Å; T10-I95 WeakPolarHBondContact CA-O 3.02Å; T10-I95 PolarHBondContact OG1-O 3.31Å
11E89.3Confident84.3Confident61 Ų6137.9 Ų37.929%0.28519%0.19SC..  trans-75.8153.3162.1-62.4-58.3156.400110.9E13 A14 V15 N94 G96E11-E13 HydrophobicContact CB-CG 4Å; E11-E13 PolarHBondContact O-N 3.02Å; E11-E13 VanDerWaalsContact O-N 3.16Å; E11-A14 PolarHBondContact O-N 2.79Å; E11-V15 PolarHBondContact O-N 3.26Å; E11-N94 WeakPolarHBondContact CB-O 3.4Å; E11-N94 HydrophobicContact CG-CB 4.1Å; E11-G96 WeakPolarHBondContact OE1-CA 3.32Å
12S84.3Confident85.8Confident22 Ų2230.2 Ų30.215%0.15415%0.153CC..G310 helixtrans-49.2-38.1174.4-50.20000112.9A14 V15 D34 L36S12-A14 VanDerWaalsContact C-N 3.26Å; S12-A14 PolarHBondContact O-N 3.3Å; S12-V15 WeakPolarHBondContact O-CB 3.31Å; S12-V15 WeakPolarHBondContact O-CG2 3.49Å; S12-V15 PolarHBondContact O-N 2.96Å; S12-D34 WeakPolarHBondContact CA-OD2 3.31Å; S12-D34 VanDerWaalsContact CB-OD1 3.32Å; S12-D34 WeakPolarHBondContact CB-OD1 3.42Å; S12-D34 WeakPolarHBondContact CB-OD2 3.46Å; S12-D34 VanDerWaalsContact OG-CG 3.28Å; S12-D34 PolarHBondContact OG-OD1 2.95Å; S12-D34 PolarHBondContact OG-OD2 3.47Å; S12-L36 VanDerWaalsContact CB-CD1 3.43Å; S12-L36 WeakPolarHBondContact OG-CG 3.43Å
13E85.3Confident86.6Confident108 Ų10830.9 Ų30.951%0.50516%0.158SC..G310 helixtrans-66.9-23.1179.765.8177.6-139.600114.3E11 N94E11-E13 HydrophobicContact CB-CG 4Å; E11-E13 PolarHBondContact O-N 3.02Å; E11-E13 VanDerWaalsContact O-N 3.16Å; E13-N94 HydrophobicContact CG-CB 4.24Å; E13-N94 VanDerWaalsContact OE1-CA 3.29Å; E13-N94 WeakPolarHBondContact OE1-CA 3.15Å; E13-N94 WeakPolarHBondContact OE1-CB 3.45Å; E13-N94 PolarHBondContact OE1-N 3.46Å
14A87.7Confident86.9Confident0 Ų035.9 Ų35.90%018%0.182CC..G310 helixtrans-98.9-2.2-179.400000113.4T10 E11 S12 E16 A17 V18 L88 L93 N94 I95T10-A14 VanDerWaalsContact OG1-CB 3.26Å; T10-A14 WeakPolarHBondContact OG1-CB 3.46Å; E11-A14 PolarHBondContact O-N 2.79Å; S12-A14 VanDerWaalsContact C-N 3.26Å; S12-A14 PolarHBondContact O-N 3.3Å; A14-E16 PolarHBondContact O-N 2.91Å; A14-A17 PolarHBondContact O-N 2.98Å; A14-V18 HydrophobicContact CB-CG2 4.46Å; A14-V18 WeakPolarHBondContact O-CB 3.34Å; A14-V18 VanDerWaalsContact O-CG2 3.26Å; A14-V18 WeakPolarHBondContact O-CG2 3.37Å; A14-V18 PolarHBondContact O-N 2.81Å; A14-L88 HydrophobicContact CB-CD1 4.49Å; A14-L93 HydrophobicContact CB-CB 4.45Å; A14-N94 VanDerWaalsContact CB-O 3.28Å; A14-N94 WeakPolarHBondContact CB-O 3.38Å; A14-I95 HydrophobicContact CB-CG2 4.27Å
15V87.1Confident86.9Confident7 Ų734.7 Ų34.74%0.04218%0.177CC..Hα-helixtrans-52.5-49.2-177.8165.20000112.8T10 E11 S12 V18 S19 I32 A62 V64T10-V15 HydrophobicContact CG2-CG2 4.21Å; E11-V15 PolarHBondContact O-N 3.26Å; S12-V15 WeakPolarHBondContact O-CB 3.31Å; S12-V15 WeakPolarHBondContact O-CG2 3.49Å; S12-V15 PolarHBondContact O-N 2.96Å; V15-V18 PolarHBondContact O-N 3.24Å; V15-S19 VanDerWaalsContact O-CB 3.32Å; V15-S19 WeakPolarHBondContact O-CB 3.47Å; V15-S19 PolarHBondContact O-N 3.08Å; V15-S19 PolarHBondContact O-OG 2.78Å; V15-I32 HydrophobicContact CG1-CB 4.34Å; V15-I32 HydrophobicContact CG1-CD1 3.57Å; V15-I32 HydrophobicContact CG1-CG1 3.87Å; V15-I32 HydrophobicContact CG1-CG2 3.5Å; V15-I32 VanDerWaalsContact CG1-CG2 3.5Å; V15-I32 HydrophobicContact CG2-CG2 4.41Å; V15-A62 HydrophobicContact CG2-CB 3.2Å; V15-V64 HydrophobicContact CB-CG2 4.32Å; V15-V64 HydrophobicContact CG1-CG2 4.11Å; V15-V64 HydrophobicContact CG2-CG2 4.22Å
16E84.2Confident86.7Confident85 Ų8535.3 Ų35.340%0.39719%0.187SC..Hα-helixtrans-64.1-45.8-177.5-62.4-73.3178.600110.8A14 V18 S19 N20 K302A14-E16 PolarHBondContact O-N 2.91Å; E16-V18 PolarHBondContact O-N 2.81Å; E16-S19 PolarHBondContact O-N 3.46Å; E16-N20 PolarHBondContact O-N 3.19Å; E16-K302 IonicContact OE1-NZ 2.79Å; E16-K302 PolarHBondContact OE1-NZ 2.99Å
17A85.5Confident86.4Confident24 Ų2436 Ų3620%0.19819%0.193CC..Hα-helixtrans-65.8-41.6179.900000112A14 N20 I21 L88 L93A14-A17 PolarHBondContact O-N 2.98Å; A17-N20 PolarHBondContact O-N 2.77Å; A17-I21 WeakPolarHBondContact O-CD1 3.43Å; A17-I21 VanDerWaalsContact O-CG1 3.23Å; A17-I21 WeakPolarHBondContact O-CG1 3.42Å; A17-I21 PolarHBondContact O-N 2.78Å; A17-L88 HydrophobicContact CB-CD1 3.86Å; A17-L88 HydrophobicContact CB-CD2 3.68Å; A17-L88 HydrophobicContact CB-CG 4.42Å; A17-L93 HydrophobicContact CB-CD1 3.63Å
18V88.2Confident85.8Confident0 Ų035.9 Ų35.90%020%0.2CC..Hα-helixtrans-63.5-44174.7170.70000110.7V8 T10 A14 V15 E16 N20 I21 L22 V64 I85 L88V8-V18 HydrophobicContact CB-CG1 3.66Å; V8-V18 HydrophobicContact CG1-CG1 3.61Å; V8-V18 HydrophobicContact CG1-CG2 4.34Å; V8-V18 HydrophobicContact CG2-CG1 3.99Å; T10-V18 HydrophobicContact CG2-CG2 4.14Å; A14-V18 HydrophobicContact CB-CG2 4.46Å; A14-V18 WeakPolarHBondContact O-CB 3.34Å; A14-V18 VanDerWaalsContact O-CG2 3.26Å; A14-V18 WeakPolarHBondContact O-CG2 3.37Å; A14-V18 PolarHBondContact O-N 2.81Å; V15-V18 PolarHBondContact O-N 3.24Å; E16-V18 PolarHBondContact O-N 2.81Å; V18-N20 VanDerWaalsContact C-N 3.35Å; V18-N20 PolarHBondContact O-N 2.78Å; V18-I21 PolarHBondContact O-N 2.79Å; V18-L22 HydrophobicContact CG1-CD1 3.87Å; V18-L22 VanDerWaalsContact O-CG 3.31Å; V18-L22 WeakPolarHBondContact O-CG 3.34Å; V18-L22 PolarHBondContact O-N 2.89Å; V18-V64 HydrophobicContact CB-CG2 4.19Å; V18-V64 HydrophobicContact CG1-CB 3.78Å; V18-V64 HydrophobicContact CG1-CG1 4.05Å; V18-V64 HydrophobicContact CG1-CG2 3.88Å; V18-I85 HydrophobicContact CG1-CD1 4.35Å; V18-I85 HydrophobicContact CG2-CG1 4.29Å; V18-I85 HydrophobicContact CG2-CG2 4.2Å; V18-L88 HydrophobicContact CG2-CD1 3.87Å
19S86.7Confident85.1Confident11 Ų1137.1 Ų37.18%0.07721%0.212CC..Hα-helixtrans-59-46.6177.6-60.10000111.2V15 E16 I21 L22 M23 V64V15-S19 VanDerWaalsContact O-CB 3.32Å; V15-S19 WeakPolarHBondContact O-CB 3.47Å; V15-S19 PolarHBondContact O-N 3.08Å; V15-S19 PolarHBondContact O-OG 2.78Å; E16-S19 PolarHBondContact O-N 3.46Å; S19-I21 PolarHBondContact O-N 2.87Å; S19-L22 PolarHBondContact O-N 2.7Å; S19-M23 WeakPolarHBondContact O-CG 3.43Å; S19-M23 PolarHBondContact O-N 3.11Å; S19-V64 VanDerWaalsContact OG-CG1 3.32Å; S19-V64 WeakPolarHBondContact OG-CG1 3.32Å
20N83.7Confident84.7Confident82 Ų8238.1 Ų38.144%0.43922%0.219SC..Hα-helixtrans-62.4-43.2176.6-174.660000112.3E16 A17 V18 L22 M23 E24E16-N20 PolarHBondContact O-N 3.19Å; A17-N20 PolarHBondContact O-N 2.77Å; V18-N20 VanDerWaalsContact C-N 3.35Å; V18-N20 PolarHBondContact O-N 2.78Å; N20-L22 VanDerWaalsContact C-N 3.26Å; N20-L22 PolarHBondContact O-N 2.93Å; N20-M23 PolarHBondContact O-N 3.34Å; N20-E24 PolarHBondContact ND2-OE1 3.03Å; N20-E24 WeakPolarHBondContact O-CB 3.33Å; N20-E24 WeakPolarHBondContact O-CG 3.48Å; N20-E24 PolarHBondContact O-N 3.25Å
21I87Confident84.3Confident10 Ų1039.3 Ų39.35%0.05123%0.228CC..Hα-helixtrans-58.4-41.2176.7-70.5163.2000111.2A17 V18 S19 A25 I81 K84 I85 L88A17-I21 WeakPolarHBondContact O-CD1 3.43Å; A17-I21 VanDerWaalsContact O-CG1 3.23Å; A17-I21 WeakPolarHBondContact O-CG1 3.42Å; A17-I21 PolarHBondContact O-N 2.78Å; V18-I21 PolarHBondContact O-N 2.79Å; S19-I21 PolarHBondContact O-N 2.87Å; I21-A25 VanDerWaalsContact O-CB 3.28Å; I21-A25 WeakPolarHBondContact O-CB 3.18Å; I21-A25 PolarHBondContact O-N 2.73Å; I21-I81 HydrophobicContact CG2-CB 4.48Å; I21-I81 HydrophobicContact CG2-CG2 4.21Å; I21-K84 HydrophobicContact CD1-CB 3.81Å; I21-K84 HydrophobicContact CG1-CB 4Å; I21-K84 HydrophobicContact CG1-CD 4.24Å; I21-K84 HydrophobicContact CG2-CB 3.78Å; I21-K84 HydrophobicContact CG2-CD 4.1Å; I21-I85 HydrophobicContact CD1-CG1 3.86Å; I21-I85 HydrophobicContact CG2-CG1 4.27Å; I21-L88 HydrophobicContact CD1-CD1 4Å; I21-L88 HydrophobicContact CD1-CD2 3.96Å; I21-L88 HydrophobicContact CD1-CG 4.1Å
22L88.3Confident84Confident0 Ų039.9 Ų39.90%023%0.233CC..Hα-helixtrans-70.2-40.9179.7-66.8166.1000111.7V6 V8 V18 S19 N20 A25 G26 A27 V30 V64 A66 F68 I81V6-L22 HydrophobicContact CB-CD2 4.39Å; V6-L22 HydrophobicContact CG1-CD2 3.98Å; V8-L22 HydrophobicContact CG2-CD1 3.97Å; V8-L22 HydrophobicContact CG2-CD2 4.28Å; V18-L22 HydrophobicContact CG1-CD1 3.87Å; V18-L22 VanDerWaalsContact O-CG 3.31Å; V18-L22 WeakPolarHBondContact O-CG 3.34Å; V18-L22 PolarHBondContact O-N 2.89Å; S19-L22 PolarHBondContact O-N 2.7Å; N20-L22 VanDerWaalsContact C-N 3.26Å; N20-L22 PolarHBondContact O-N 2.93Å; L22-A25 WeakPolarHBondContact O-CB 3.46Å; L22-A25 PolarHBondContact O-N 3.31Å; L22-G26 PolarHBondContact O-N 3.43Å; L22-A27 HydrophobicContact CB-CB 4.48Å; L22-A27 WeakPolarHBondContact O-CB 3.28Å; L22-A27 PolarHBondContact O-N 3.42Å; L22-A27 VanDerWaalsContact O-N 3.08Å; L22-V30 HydrophobicContact CB-CG2 4.49Å; L22-V64 HydrophobicContact CD1-CB 4.34Å; L22-V64 HydrophobicContact CD1-CG1 3.7Å; L22-A66 HydrophobicContact CB-CB 3.54Å; L22-A66 HydrophobicContact CD1-CB 3.59Å; L22-A66 HydrophobicContact CD2-CB 4.02Å; L22-A66 HydrophobicContact CG-CB 3.9Å; L22-F68 HydrophobicContact CD2-CE2 4.4Å; L22-F68 HydrophobicContact CD2-CZ 4.27Å; L22-I81 HydrophobicContact CD2-CD1 4.05Å; L22-I81 HydrophobicContact CD2-CG1 4.44Å; L22-I81 HydrophobicContact CD2-CG2 3.75Å
23M83.3Confident84Confident97 Ų9740.1 Ų40.148%0.47823%0.232SC..Hα-helixtrans-61.9-47.6173.5-72.9-175.365.900111.9S19 N20 A25 G26 V30S19-M23 WeakPolarHBondContact O-CG 3.43Å; S19-M23 PolarHBondContact O-N 3.11Å; N20-M23 PolarHBondContact O-N 3.34Å; M23-A25 PolarHBondContact O-N 3.26Å; M23-G26 PolarHBondContact O-N 3.43Å; M23-V30 HydrophobicContact CG-CG2 3.76Å
24E82.5Confident83.7Confident111 Ų11135.7 Ų35.752%0.51921%0.211SC..Hα-helixtrans-60.8-29.4175.9-75.6-178.8-176.500112.9N20 G26 K84N20-E24 PolarHBondContact ND2-OE1 3.03Å; N20-E24 WeakPolarHBondContact O-CB 3.33Å; N20-E24 WeakPolarHBondContact O-CG 3.48Å; N20-E24 PolarHBondContact O-N 3.25Å; E24-G26 PolarHBondContact O-N 3.42Å; E24-K84 IonicContact OE2-NZ 3.41Å; E24-K84 PolarHBondContact OE2-NZ 3.5Å
25A82.1Confident83.3Confident11 Ų1136.5 Ų36.59%0.09122%0.218CC..THydrogen-bonded Turntrans-74.8-5.4175.700000113.4I21 L22 M23 F68 I77 I81I21-A25 VanDerWaalsContact O-CB 3.28Å; I21-A25 WeakPolarHBondContact O-CB 3.18Å; I21-A25 PolarHBondContact O-N 2.73Å; L22-A25 WeakPolarHBondContact O-CB 3.46Å; L22-A25 PolarHBondContact O-N 3.31Å; M23-A25 PolarHBondContact O-N 3.26Å; A25-F68 HydrophobicContact CB-CE1 4.05Å; A25-F68 HydrophobicContact CB-CZ 4.23Å; A25-I77 HydrophobicContact CB-CG2 3.64Å; A25-I81 HydrophobicContact CB-CD1 3.72Å; A25-I81 HydrophobicContact CB-CG1 3.56Å
26G81.8Confident82.5Confident28 Ų2839.5 Ų39.529%0.28923%0.233SC..THydrogen-bonded Turntrans102.618.2177.300000114.7L22 M23 E24 I72L22-G26 PolarHBondContact O-N 3.43Å; M23-G26 PolarHBondContact O-N 3.43Å; E24-G26 PolarHBondContact O-N 3.42Å; G26-I72 WeakPolarHBondContact O-CD1 3.46Å
27A82.8Confident81.6Confident14 Ų1440.3 Ų40.312%0.11624%0.24CC..  trans-63.3138171.300000110.5L22 G29 A66 Y67 F68L22-A27 HydrophobicContact CB-CB 4.48Å; L22-A27 WeakPolarHBondContact O-CB 3.28Å; L22-A27 PolarHBondContact O-N 3.42Å; L22-A27 VanDerWaalsContact O-N 3.08Å; A27-G29 VanDerWaalsContact C-N 3.31Å; A27-A66 HydrophobicContact CB-CB 3.79Å; A27-Y67 CarbonylContact C-O 3.57Å; A27-Y67 WeakPolarHBondContact CA-O 3.43Å; A27-F68 HydrophobicContact CB-CD1 4.38Å; A27-F68 HydrophobicContact CB-CD2 4.46Å; A27-F68 HydrophobicContact CB-CE1 3.95Å; A27-F68 HydrophobicContact CB-CE2 4.01Å; A27-F68 HydrophobicContact CB-CZ 3.75Å; A27-F68 VanDerWaalsContact N-CE1 3.27Å
28S78.6Confident80.3Confident58 Ų5842.7 Ų42.741%0.40625%0.246SC..SBendtrans-79.9-16175.4-57.60000113W3 Y67W3-S28 WeakPolarHBondContact CZ3-OG 3.38Å; S28-Y67 PolarHBondContact N-O 3.39Å
29G76.4Confident78.7Confident26 Ų2650.1 Ų50.127%0.26828%0.281SS..EExtended strand (participates in β ladder)trans-174.6161.5178.100000111.1A27 A66 Y67A27-G29 VanDerWaalsContact C-N 3.31Å; G29-A66 WeakPolarHBondContact O-CA 3.18Å; G29-Y67 PolarHBondContact O-N 3.15Å; G29-Y67 VanDerWaalsContact O-N 3.11Å
30V83Confident77Confident44 Ų4455.6 Ų55.627%0.26731%0.309SS..EExtended strand (participates in β ladder)trans-132.9135.9-179.2-175.20000109.5L22 M23 I32 V64 M65 A66L22-V30 HydrophobicContact CB-CG2 4.49Å; M23-V30 HydrophobicContact CG-CG2 3.76Å; V30-I32 HydrophobicContact CG1-CG1 4.36Å; V30-V64 HydrophobicContact CG1-CG1 3.25Å; V30-M65 CarbonylContact C-O 3.58Å; V30-M65 VanDerWaalsContact CA-O 3.27Å; V30-M65 WeakPolarHBondContact CA-O 3.43Å; V30-A66 HydrophobicContact CG2-CB 4.1Å
31A83.2Confident75.3Confident26 Ų2656.4 Ų56.422%0.21531%0.307CS..EExtended strand (participates in β ladder)trans-114.8142.1170.200000109.2M65 Y67A31-M65 HydrophobicContact CB-CB 4.42Å; A31-M65 HydrophobicContact CB-CE 4.1Å; A31-M65 PolarHBondContact N-O 3.4Å; A31-M65 PolarHBondContact O-N 3.38Å; A31-Y67 HydrophobicContact CB-CE2 4.4Å
32I83.2Confident73.3Confident73 Ų7364.2 Ų64.237%0.37434%0.343SS..EExtended strand (participates in β ladder)trans-124.4131-174.8-61.8161.3000108.1V15 V30 D34 V63 V64V15-I32 HydrophobicContact CG1-CB 4.34Å; V15-I32 HydrophobicContact CG1-CD1 3.57Å; V15-I32 HydrophobicContact CG1-CG1 3.87Å; V15-I32 HydrophobicContact CG1-CG2 3.5Å; V15-I32 VanDerWaalsContact CG1-CG2 3.5Å; V15-I32 HydrophobicContact CG2-CG2 4.41Å; V30-I32 HydrophobicContact CG1-CG1 4.36Å; I32-D34 HydrophobicContact CG2-CB 4.44Å; I32-V63 WeakPolarHBondContact CA-O 3.31Å; I32-V64 HydrophobicContact CG1-CG1 4.46Å
33E82.4Confident71.2Confident28 Ų2871.6 Ų71.613%0.13138%0.378CS..EExtended strand (participates in β ladder)trans-115.9114164.6-69.3-178.6-171.900108.2L58 A62 V63 M65 Y117E33-L58 HydrophobicContact CB-CD1 3.68Å; E33-L58 VanDerWaalsContact O-CD1 3.31Å; E33-L58 WeakPolarHBondContact O-CD1 3.49Å; E33-A62 CarbonylContact O-C 3.54Å; E33-A62 WeakPolarHBondContact O-CA 3.33Å; E33-A62 WeakPolarHBondContact O-CB 3.32Å; E33-V63 PolarHBondContact N-O 2.87Å; E33-V63 PolarHBondContact O-N 3.05Å; E33-M65 HydrophobicContact CG-CE 3.9Å; E33-Y117 HydrophobicContact CG-CE1 4.2Å; E33-Y117 WeakPolarHBondContact OE1-CE1 3.5Å; E33-Y117 PolarHBondContact OE1-OH 3.48Å
34D80.6Confident69.4Low15 Ų1570.8 Ų70.88%0.0838%0.376CS..EExtended strand (participates in β ladder)trans-116.6133.5-179.9-163.5-31.4000111S12 I32 L36 D37 F38 A62S12-D34 WeakPolarHBondContact CA-OD2 3.31Å; S12-D34 VanDerWaalsContact CB-OD1 3.32Å; S12-D34 WeakPolarHBondContact CB-OD1 3.42Å; S12-D34 WeakPolarHBondContact CB-OD2 3.46Å; S12-D34 VanDerWaalsContact OG-CG 3.28Å; S12-D34 PolarHBondContact OG-OD1 2.95Å; S12-D34 PolarHBondContact OG-OD2 3.47Å; I32-D34 HydrophobicContact CG2-CB 4.44Å; D34-L36 PolarHBondContact O-N 2.98Å; D34-L36 WeakPolarHBondContact OD1-CB 3.12Å; D34-L36 PolarHBondContact OD1-N 3.17Å; D34-D37 HydrophobicContact CB-CB 4.5Å; D34-D37 PolarHBondContact O-N 3.23Å; D34-F38 WeakPolarHBondContact O-CD2 3.31Å; D34-F38 WeakPolarHBondContact O-CE2 3.43Å; D34-A62 HydrophobicContact CB-CB 3.97Å
35A78.8Confident67.6Low16 Ų1674.6 Ų74.613%0.13239%0.393CS..THydrogen-bonded Turntrans-63.9-29.6173.700000112.4D37 F38 G61A35-D37 VanDerWaalsContact C-N 3.34Å; A35-F38 WeakPolarHBondContact O-CB 3.4Å; A35-F38 PolarHBondContact O-N 3.16Å; A35-G61 WeakPolarHBondContact CB-O 3.08Å; A35-G61 PolarHBondContact N-O 3.07Å
36L71Confident66Low70 Ų7082.7 Ų82.737%0.36642%0.423SS..Hα-helixtrans-74.9-20.4179.5-68.7-176.3000113.8S12 D34 F38 E39 N40S12-L36 VanDerWaalsContact CB-CD1 3.43Å; S12-L36 WeakPolarHBondContact OG-CG 3.43Å; D34-L36 PolarHBondContact O-N 2.98Å; D34-L36 WeakPolarHBondContact OD1-CB 3.12Å; D34-L36 PolarHBondContact OD1-N 3.17Å; L36-F38 PolarHBondContact O-N 3.38Å; L36-E39 HydrophobicContact CD2-CB 4.48Å; L36-E39 WeakPolarHBondContact CD2-OE2 3.25Å; L36-E39 PolarHBondContact O-N 3.4Å; L36-N40 PolarHBondContact O-N 2.92Å; L36-N40 VanDerWaalsContact O-N 3.11Å; L36-N40 PolarHBondContact O-ND2 2.98Å
37D64.2Low63.9Low102 Ų10283.7 Ų83.755%0.54543%0.433SS..Hα-helixtrans-60.2-27.6172.6-73-19.6000110.6D34 A35 Y41D34-D37 HydrophobicContact CB-CB 4.5Å; D34-D37 PolarHBondContact O-N 3.23Å; A35-D37 VanDerWaalsContact C-N 3.34Å; D37-Y41 PolarHBondContact O-N 3.39Å
38F59.3Low62.1Low74 Ų7489.2 Ų89.233%0.32546%0.457SS..Hα-helixtrans-83.7-34.4176.5-60.8-81.4000113.9D34 A35 L36 N40 Y41 F55D34-F38 WeakPolarHBondContact O-CD2 3.31Å; D34-F38 WeakPolarHBondContact O-CE2 3.43Å; A35-F38 WeakPolarHBondContact O-CB 3.4Å; A35-F38 PolarHBondContact O-N 3.16Å; L36-F38 PolarHBondContact O-N 3.38Å; F38-N40 VanDerWaalsContact C-N 3.3Å; F38-Y41 WeakPolarHBondContact O-CB 3.3Å; F38-Y41 PolarHBondContact O-N 3.46Å; F38-F55 HydrophobicContact CE1-CB 3.74Å; F38-F55 AromaticContact CE1-CD1 3.67Å; F38-F55 HydrophobicContact CE1-CD1 3.67Å; F38-F55 HydrophobicContact CE1-CG 4.09Å; F38-F55 HydrophobicContact CZ-CB 4.09Å; F38-F55 AromaticContact CZ-CD1 3.86Å; F38-F55 HydrophobicContact CZ-CD1 3.86Å; F38-F55 HydrophobicContact CZ-CG 4.47Å
39E53.7Low60.4Low156 Ų15694.2 Ų94.273%0.72948%0.478SS*.Hα-helixtrans-70.5-30.6177.3-71.5-162.4157.400111.9L36L36-E39 HydrophobicContact CD2-CB 4.48Å; L36-E39 WeakPolarHBondContact CD2-OE2 3.25Å; L36-E39 PolarHBondContact O-N 3.4Å
40N50.7Low58.9Low127 Ų12795.7 Ų95.768%0.67948%0.479SS*.SBendtrans-87.3-4.6176.1-67.4-49.1000113.6L36 F38 Q42L36-N40 PolarHBondContact O-N 2.92Å; L36-N40 VanDerWaalsContact O-N 3.11Å; L36-N40 PolarHBondContact O-ND2 2.98Å; F38-N40 VanDerWaalsContact C-N 3.3Å; N40-Q42 PolarHBondContact O-N 3.5Å
41Y48.7Very low57.2Low98 Ų9898.2 Ų98.238%0.38449%0.492SS..  trans-69.3103.1173.1-165.1-90.4000109.6D37 F38 L50D37-Y41 PolarHBondContact O-N 3.39Å; F38-Y41 WeakPolarHBondContact O-CB 3.3Å; F38-Y41 PolarHBondContact O-N 3.46Å; Y41-L50 HydrophobicContact CD1-CD1 4.05Å; Y41-L50 HydrophobicContact CD2-CD1 3.85Å; Y41-L50 HydrophobicContact CE1-CD1 3.68Å; Y41-L50 HydrophobicContact CE2-CD1 3.47Å; Y41-L50 VanDerWaalsContact CE2-CD1 3.47Å; Y41-L50 HydrophobicContact CG-CD1 4.12Å
42Q44.7Very low55.5Low175 Ų175105.6 Ų105.682%0.81852%0.519SS*.PPolyproline II helixtrans-85.1124.7167.4-67.6-168.4-6.200108.4N40 D44N40-Q42 PolarHBondContact O-N 3.5Å; Q42-D44 PolarHBondContact O-N 3.06Å
43E44.6Very low53.8Low155 Ų155110.9 Ų110.972%0.72454%0.542SS*.PPolyproline II helixtrans-48.7117.9164.2-82.6-179.7159.700108.2
44D45.3Very low52.2Low80 Ų80114.7 Ų114.743%0.42857%0.567SS.*PPolyproline II helixtrans-71.3167.716571.37.7000109.6Q42 Y46 G47Q42-D44 PolarHBondContact O-N 3.06Å; D44-Y46 PolarHBondContact O-N 2.79Å; D44-Y46 WeakPolarHBondContact OD1-CA 3.49Å; D44-Y46 WeakPolarHBondContact OD1-CB 3.3Å; D44-Y46 PolarHBondContact OD1-N 2.96Å; D44-G47 PolarHBondContact OD1-N 2.92Å
45Q44.2Very low50.6Low191 Ų191117.6 Ų117.689%0.89358%0.579SS**THydrogen-bonded Turntrans-63.25.1178.8-103.5-174.3-1.500114.2
46Y48.6Very low49.3Very low180 Ų180117.8 Ų117.871%0.70658%0.58SS**THydrogen-bonded Turntrans-115.30.7-168.9-63.3-78.1000114.8D44D44-Y46 PolarHBondContact O-N 2.79Å; D44-Y46 WeakPolarHBondContact OD1-CA 3.49Å; D44-Y46 WeakPolarHBondContact OD1-CB 3.3Å; D44-Y46 PolarHBondContact OD1-N 2.96Å
47G38.2Very low48.8Very low50 Ų50119.7 Ų119.752%0.51560%0.599SS.*  trans72.634.2157.400000115.4D44 L49D44-G47 PolarHBondContact OD1-N 2.92Å; G47-L49 PolarHBondContact O-N 3.37Å; G47-L49 VanDerWaalsContact O-N 3.08Å
48E44.3Very low48.8Very low130 Ų130116.6 Ų116.661%0.60758%0.582SS**  trans-67.9103.5166-71-168.3166.300110.1L50E48-L50 PolarHBondContact O-N 2.89Å
49L43Very low49.2Very low162 Ų162119.4 Ų119.485%0.84861%0.606SS**  trans-73.589.8171.2-77.2151.9000108.9G47 D51G47-L49 PolarHBondContact O-N 3.37Å; G47-L49 VanDerWaalsContact O-N 3.08Å; L49-D51 PolarHBondContact O-N 3.03Å
50L45.4Very low50.3Low57 Ų57117 Ų11730%0.29860%0.595SS.*  trans-68.3110.8161.9-81.3166.1000108.6Y41 E48 K52 F55Y41-L50 HydrophobicContact CD1-CD1 4.05Å; Y41-L50 HydrophobicContact CD2-CD1 3.85Å; Y41-L50 HydrophobicContact CE1-CD1 3.68Å; Y41-L50 HydrophobicContact CE2-CD1 3.47Å; Y41-L50 VanDerWaalsContact CE2-CD1 3.47Å; Y41-L50 HydrophobicContact CG-CD1 4.12Å; E48-L50 PolarHBondContact O-N 2.89Å; L50-K52 PolarHBondContact O-N 3.02Å; L50-K52 VanDerWaalsContact O-N 3.15Å; L50-F55 HydrophobicContact CD2-CD1 4.17Å; L50-F55 HydrophobicContact CD2-CD2 3.37Å; L50-F55 HydrophobicContact CD2-CE1 3.99Å; L50-F55 HydrophobicContact CD2-CE2 3.16Å; L50-F55 HydrophobicContact CD2-CG 3.86Å; L50-F55 HydrophobicContact CD2-CZ 3.48Å; L50-F55 VanDerWaalsContact CD2-CZ 3.48Å
51D47.7Very low52Low98 Ų98111.4 Ų111.452%0.52457%0.567SS.*  trans-71.8108.2175.2-168.1-3000109.5L49 E53 T54 F55L49-D51 PolarHBondContact O-N 3.03Å; D51-E53 PolarHBondContact O-N 2.79Å; D51-T54 WeakPolarHBondContact CB-OG1 3.3Å; D51-T54 PolarHBondContact O-N 2.81Å; D51-T54 PolarHBondContact OD2-OG1 3.22Å; D51-F55 PolarHBondContact O-N 2.92Å
52K46.7Very low53.7Low181 Ų181106.8 Ų106.879%0.78755%0.548SS*.Hα-helixtrans-54.4-27.8-174.1-70.2-172.8176-171.20113.6L50L50-K52 PolarHBondContact O-N 3.02Å; L50-K52 VanDerWaalsContact O-N 3.15Å
53E47.6Very low55.8Low183 Ų18399.1 Ų99.186%0.85551%0.513SS*.Hα-helixtrans-83-15.3179.4-65-170167.800113.4D51D51-E53 PolarHBondContact O-N 2.79Å
54T48.9Very low57.8Low109 Ų10991.7 Ų91.767%0.66948%0.479SS*.Hα-helixtrans-96.6-24-174.2-400000112.6D51D51-T54 WeakPolarHBondContact CB-OG1 3.3Å; D51-T54 PolarHBondContact O-N 2.81Å; D51-T54 PolarHBondContact OD2-OG1 3.22Å
55F47Very low59.9Low75 Ų7588.4 Ų88.433%0.32946%0.461SS..Hα-helixtrans-98.9-26.2-164.3-130.5-96.2000114.5F38 L50 D51 H119F38-F55 HydrophobicContact CE1-CB 3.74Å; F38-F55 AromaticContact CE1-CD1 3.67Å; F38-F55 HydrophobicContact CE1-CD1 3.67Å; F38-F55 HydrophobicContact CE1-CG 4.09Å; F38-F55 HydrophobicContact CZ-CB 4.09Å; F38-F55 AromaticContact CZ-CD1 3.86Å; F38-F55 HydrophobicContact CZ-CD1 3.86Å; F38-F55 HydrophobicContact CZ-CG 4.47Å; L50-F55 HydrophobicContact CD2-CD1 4.17Å; L50-F55 HydrophobicContact CD2-CD2 3.37Å; L50-F55 HydrophobicContact CD2-CE1 3.99Å; L50-F55 HydrophobicContact CD2-CE2 3.16Å; L50-F55 HydrophobicContact CD2-CG 3.86Å; L50-F55 HydrophobicContact CD2-CZ 3.48Å; L50-F55 VanDerWaalsContact CD2-CZ 3.48Å; D51-F55 PolarHBondContact O-N 2.92Å; F55-H119 AromaticContact CZ-CD2 3.75Å; F55-H119 AromaticContact CZ-NE2 3.28Å; F55-H119 VanDerWaalsContact CZ-NE2 3.28Å; F55-H119 WeakPolarHBondContact CZ-NE2 3.49Å
56S51.2Low61.9Low20 Ų2079.3 Ų79.314%0.1442%0.419CS..  trans-157.4134.91781580000109.8L58S56-L58 VanDerWaalsContact C-N 3.27Å; S56-L58 WeakPolarHBondContact OG-CB 3.38Å; S56-L58 PolarHBondContact OG-N 2.92Å; S56-L58 PolarHBondContact OG-O 3.17Å
57S60Low63.7Low110 Ų11071.5 Ų71.577%0.76939%0.388SS*.  trans-87.60.6171.464.80000112.7
58L65.9Low65.8Low37 Ų3769.1 Ų69.119%0.19436%0.363CS..  trans-89.8122.6-174.4-61.1170.7000110.6E33 S56 V63E33-L58 HydrophobicContact CB-CD1 3.68Å; E33-L58 VanDerWaalsContact O-CD1 3.31Å; E33-L58 WeakPolarHBondContact O-CD1 3.49Å; S56-L58 VanDerWaalsContact C-N 3.27Å; S56-L58 WeakPolarHBondContact OG-CB 3.38Å; S56-L58 PolarHBondContact OG-N 2.92Å; S56-L58 PolarHBondContact OG-O 3.17Å; L58-V63 HydrophobicContact CD1-CB 4.1Å; L58-V63 HydrophobicContact CD1-CG2 3.71Å; L58-V63 HydrophobicContact CD2-CG2 3.59Å; L58-V63 HydrophobicContact CG-CG2 4.27Å
59T66.7Low67.4Low134 Ų13464.2 Ų64.282%0.82234%0.343SS*.SBendtrans-92.7-15.8174.656.20000113.1
60E77.9Confident69Low106 Ų10662.3 Ų62.350%0.49533%0.33SS..SBendtrans-161.1150.4-17761.7-175.1-179.700110.4K97E60-K97 WeakPolarHBondContact OE1-CE 3.49Å; E60-K97 IonicContact OE1-NZ 2.75Å; E60-K97 PolarHBondContact OE1-NZ 3.38Å
61G84.7Confident70.3Confident9 Ų965.7 Ų65.79%0.09335%0.353CS..SBendtrans67.2-154178.200000113.5T10 A35T10-G61 WeakPolarHBondContact O-CA 3.37Å; A35-G61 WeakPolarHBondContact CB-O 3.08Å; A35-G61 PolarHBondContact N-O 3.07Å
62A85.5Confident71.5Confident0 Ų062.8 Ų62.80%034%0.337CS..EExtended strand (participates in β ladder)trans-143.7159.7-177.200000112T9 T10 V15 E33 D34T9-A62 CarbonylContact C-O 3.55Å; T9-A62 WeakPolarHBondContact CA-O 3.37Å; T10-A62 PolarHBondContact N-O 3.47Å; T10-A62 PolarHBondContact O-N 3.43Å; V15-A62 HydrophobicContact CG2-CB 3.2Å; E33-A62 CarbonylContact O-C 3.54Å; E33-A62 WeakPolarHBondContact O-CA 3.33Å; E33-A62 WeakPolarHBondContact O-CB 3.32Å; D34-A62 HydrophobicContact CB-CB 3.97Å
63V87.6Confident72.8Confident14 Ų1460.2 Ų60.29%0.08533%0.326CS..EExtended strand (participates in β ladder)trans-122.2121.3172.9178.20000108.9K7 V8 T9 I32 E33 L58 M65K7-V63 HydrophobicContact CB-CG1 4.33Å; V8-V63 WeakPolarHBondContact O-CA 3.18Å; T9-V63 HydrophobicContact CG2-CG2 4.2Å; I32-V63 WeakPolarHBondContact CA-O 3.31Å; E33-V63 PolarHBondContact N-O 2.87Å; E33-V63 PolarHBondContact O-N 3.05Å; L58-V63 HydrophobicContact CD1-CB 4.1Å; L58-V63 HydrophobicContact CD1-CG2 3.71Å; L58-V63 HydrophobicContact CD2-CG2 3.59Å; L58-V63 HydrophobicContact CG-CG2 4.27Å; V63-M65 HydrophobicContact CG1-CG 3.85Å
64V87Confident74.2Confident0 Ų051.9 Ų51.90%029%0.287CS..EExtended strand (participates in β ladder)trans-102.2117.7174.6-172.70000108.6K7 V8 T10 V15 V18 S19 L22 V30 I32K7-V64 CarbonylContact C-O 3.52Å; K7-V64 WeakPolarHBondContact CA-O 3.35Å; V8-V64 HydrophobicContact CB-CB 4.48Å; V8-V64 PolarHBondContact N-O 2.99Å; V8-V64 PolarHBondContact O-N 3.3Å; T10-V64 HydrophobicContact CG2-CG2 4.08Å; V15-V64 HydrophobicContact CB-CG2 4.32Å; V15-V64 HydrophobicContact CG1-CG2 4.11Å; V15-V64 HydrophobicContact CG2-CG2 4.22Å; V18-V64 HydrophobicContact CB-CG2 4.19Å; V18-V64 HydrophobicContact CG1-CB 3.78Å; V18-V64 HydrophobicContact CG1-CG1 4.05Å; V18-V64 HydrophobicContact CG1-CG2 3.88Å; S19-V64 VanDerWaalsContact OG-CG1 3.32Å; S19-V64 WeakPolarHBondContact OG-CG1 3.32Å; L22-V64 HydrophobicContact CD1-CB 4.34Å; L22-V64 HydrophobicContact CD1-CG1 3.7Å; V30-V64 HydrophobicContact CG1-CG1 3.25Å; I32-V64 HydrophobicContact CG1-CG1 4.46Å
65M90.4Very high75.4Confident11 Ų1150.3 Ų50.35%0.05428%0.279CS..EExtended strand (participates in β ladder)trans-109.8116.6-178-52.3-178.6-89.800108.9V6 K7 V30 A31 E33 V63 Y67V6-M65 WeakPolarHBondContact O-CA 3.19Å; K7-M65 HydrophobicContact CD-CG 4.28Å; K7-M65 HydrophobicContact CD-SD 4.31Å; K7-M65 WeakPolarHBondContact CE-SD 3.43Å; K7-M65 HydrophobicContact CG-CB 4.42Å; K7-M65 HydrophobicContact CG-CG 3.92Å; V30-M65 CarbonylContact C-O 3.58Å; V30-M65 VanDerWaalsContact CA-O 3.27Å; V30-M65 WeakPolarHBondContact CA-O 3.43Å; A31-M65 HydrophobicContact CB-CB 4.42Å; A31-M65 HydrophobicContact CB-CE 4.1Å; A31-M65 PolarHBondContact N-O 3.4Å; A31-M65 PolarHBondContact O-N 3.38Å; E33-M65 HydrophobicContact CG-CE 3.9Å; V63-M65 HydrophobicContact CG1-CG 3.85Å; M65-Y67 HydrophobicContact CB-CE2 4.41Å
66A86.5Confident76.4Confident0 Ų053.9 Ų53.90%030%0.296CS..EExtended strand (participates in β ladder)trans-114.1143.517800000111.4E5 V6 L22 A27 G29 V30 F68E5-A66 CarbonylContact C-O 3.59Å; E5-A66 WeakPolarHBondContact CA-O 3.31Å; V6-A66 PolarHBondContact N-O 2.89Å; V6-A66 PolarHBondContact O-N 3.01Å; L22-A66 HydrophobicContact CB-CB 3.54Å; L22-A66 HydrophobicContact CD1-CB 3.59Å; L22-A66 HydrophobicContact CD2-CB 4.02Å; L22-A66 HydrophobicContact CG-CB 3.9Å; A27-A66 HydrophobicContact CB-CB 3.79Å; G29-A66 WeakPolarHBondContact O-CA 3.18Å; V30-A66 HydrophobicContact CG2-CB 4.1Å; A66-F68 HydrophobicContact CB-CE2 3.8Å; A66-F68 HydrophobicContact CB-CZ 4.42Å
67Y84.6Confident77.7Confident16 Ų1654.9 Ų54.96%0.06330%0.3CS..EExtended strand (participates in β ladder)trans-115.2127.4-175.3-58.5-81.6000110.9N4 E5 A27 S28 G29 A31 M65 W110N4-Y67 WeakPolarHBondContact O-CA 3.32Å; E5-Y67 HydrophobicContact CB-CD1 3.84Å; E5-Y67 HydrophobicContact CB-CE1 3.71Å; E5-Y67 HydrophobicContact CG-CD1 4.03Å; E5-Y67 HydrophobicContact CG-CE1 3.52Å; E5-Y67 WeakPolarHBondContact OE2-CE1 3.41Å; E5-Y67 PolarHBondContact OE2-OH 2.81Å; A27-Y67 CarbonylContact C-O 3.57Å; A27-Y67 WeakPolarHBondContact CA-O 3.43Å; S28-Y67 PolarHBondContact N-O 3.39Å; G29-Y67 PolarHBondContact O-N 3.15Å; G29-Y67 VanDerWaalsContact O-N 3.11Å; A31-Y67 HydrophobicContact CB-CE2 4.4Å; M65-Y67 HydrophobicContact CB-CE2 4.41Å; Y67-W110 AromaticContact CD1-CD1 3.3Å; Y67-W110 AromaticContact CD1-NE1 3.2Å; Y67-W110 AromaticContact CD2-NE1 3.32Å; Y67-W110 VanDerWaalsContact CD2-NE1 3.32Å; Y67-W110 AromaticContact CE1-CD1 3.49Å; Y67-W110 VanDerWaalsContact CE1-CD1 3.49Å; Y67-W110 AromaticContact CE1-NE1 3.62Å; Y67-W110 AromaticContact CE2-NE1 3.72Å; Y67-W110 AromaticContact CG-CD1 3.69Å; Y67-W110 AromaticContact CG-NE1 3.04Å; Y67-W110 AromaticContact CZ-NE1 3.87Å
68F83.3Confident78.7Confident0 Ų051 Ų510%027%0.27CS..EExtended strand (participates in β ladder)trans-116.2132.7-177.8-64.5-98.9000109.4N4 V6 L22 A25 A27 A66 I72 L74 I81N4-F68 PolarHBondContact N-O 3.17Å; N4-F68 PolarHBondContact O-N 2.89Å; V6-F68 HydrophobicContact CB-CD2 4.35Å; V6-F68 HydrophobicContact CB-CE2 3.86Å; V6-F68 HydrophobicContact CG2-CD2 3.69Å; V6-F68 HydrophobicContact CG2-CE2 3.5Å; V6-F68 VanDerWaalsContact CG2-CE2 3.5Å; V6-F68 HydrophobicContact CG2-CZ 4.49Å; L22-F68 HydrophobicContact CD2-CE2 4.4Å; L22-F68 HydrophobicContact CD2-CZ 4.27Å; A25-F68 HydrophobicContact CB-CE1 4.05Å; A25-F68 HydrophobicContact CB-CZ 4.23Å; A27-F68 HydrophobicContact CB-CD1 4.38Å; A27-F68 HydrophobicContact CB-CD2 4.46Å; A27-F68 HydrophobicContact CB-CE1 3.95Å; A27-F68 HydrophobicContact CB-CE2 4.01Å; A27-F68 HydrophobicContact CB-CZ 3.75Å; A27-F68 VanDerWaalsContact N-CE1 3.27Å; A66-F68 HydrophobicContact CB-CE2 3.8Å; A66-F68 HydrophobicContact CB-CZ 4.42Å; F68-I72 HydrophobicContact CB-CB 4.45Å; F68-I72 HydrophobicContact CD1-CD1 4.13Å; F68-I72 HydrophobicContact CD1-CG2 4.01Å; F68-L74 HydrophobicContact CB-CD2 3.97Å; F68-L74 HydrophobicContact CB-CG 4.39Å; F68-L74 HydrophobicContact CD1-CD2 3.86Å; F68-L74 HydrophobicContact CD2-CD2 3.77Å; F68-L74 HydrophobicContact CE1-CD2 4.26Å; F68-L74 HydrophobicContact CE2-CD2 4.2Å; F68-L74 HydrophobicContact CG-CD2 3.58Å; F68-L74 HydrophobicContact CG-CG 4.49Å; F68-L74 HydrophobicContact CZ-CD2 4.42Å; F68-I81 HydrophobicContact CZ-CD1 3.98Å
69P77.5Confident79.4Confident26 Ų2652.8 Ų52.817%0.16928%0.284CS..EExtended strand (participates in β ladder)trans-64.7153174.827.6-33.8000110.2W3 T71 I72W3-P69 HydrophobicContact CE3-CB 4.39Å; W3-P69 HydrophobicContact CH2-CB 4.22Å; W3-P69 HydrophobicContact CZ3-CB 4.01Å; W3-P69 HydrophobicContact CZ3-CG 4.4Å; P69-T71 WeakPolarHBondContact CG-OG1 3.43Å; P69-T71 PolarHBondContact O-N 2.96Å; P69-I72 HydrophobicContact CG-CD1 4.03Å; P69-I72 HydrophobicContact CG-CG1 4.01Å; P69-I72 PolarHBondContact O-N 3.27Å
70E76.2Confident80.2Confident123 Ų12351.4 Ų51.458%0.57527%0.267SS*.THydrogen-bonded Turntrans-56.4-19.8177.2-171.3174.3-163.400113.5K2 I72K2-E70 HydrophobicContact CB-CB 4.43Å; K2-E70 WeakPolarHBondContact O-CB 3.47Å; K2-E70 PolarHBondContact O-N 2.79Å; E70-I72 PolarHBondContact O-N 3.37Å
71T74.3Confident80.6Confident128 Ų12846.4 Ų46.479%0.78524%0.243SC*.THydrogen-bonded Turntrans-68.4-18.417453.50000113.6P69P69-T71 WeakPolarHBondContact CG-OG1 3.43Å; P69-T71 PolarHBondContact O-N 2.96Å
72I71.8Confident80.8Confident36 Ų3650.1 Ų50.119%0.18526%0.257CS..SBendtrans-94.1118.2176.7-67.4-174.9000109.8G26 F68 P69 E70 L74 I77G26-I72 WeakPolarHBondContact O-CD1 3.46Å; F68-I72 HydrophobicContact CB-CB 4.45Å; F68-I72 HydrophobicContact CD1-CD1 4.13Å; F68-I72 HydrophobicContact CD1-CG2 4.01Å; P69-I72 HydrophobicContact CG-CD1 4.03Å; P69-I72 HydrophobicContact CG-CG1 4.01Å; P69-I72 PolarHBondContact O-N 3.27Å; E70-I72 PolarHBondContact O-N 3.37Å; I72-L74 PolarHBondContact O-N 2.92Å; I72-I77 HydrophobicContact CG2-CD1 3.26Å
73F73.7Confident80.9Confident128 Ų12853.1 Ų53.156%0.56128%0.276SS*.  trans-79.784.7179.1-166.6-116000111.2P75 E76F73-P75 VanDerWaalsContact C-N 3.32Å; F73-P75 HydrophobicContact CD1-CB 4.36Å; F73-P75 HydrophobicContact CD1-CG 4.46Å; F73-P75 HydrophobicContact CD2-CG 4.45Å; F73-P75 HydrophobicContact CE1-CB 3.83Å; F73-P75 HydrophobicContact CE1-CG 4.02Å; F73-P75 HydrophobicContact CE2-CG 4.01Å; F73-P75 HydrophobicContact CZ-CB 4.02Å; F73-P75 HydrophobicContact CZ-CG 3.77Å; F73-P75 VanDerWaalsContact O-N 3.16Å; F73-E76 HydrophobicContact CD1-CB 4.17Å; F73-E76 HydrophobicContact CD1-CG 3.7Å; F73-E76 HydrophobicContact CE1-CG 4.07Å; F73-E76 PolarHBondContact O-N 2.79Å; F73-E76 VanDerWaalsContact O-N 3.15Å
74L77.4Confident80.9Confident7 Ų755.4 Ų55.44%0.03729%0.285CS..Hα-helixtrans-47.7-40.3-178.3-80.9-168.3000115.7N4 V6 F68 I72 E76 I77 L78 V102N4-L74 HydrophobicContact CB-CD1 3.22Å; N4-L74 HydrophobicContact CB-CG 4.01Å; V6-L74 HydrophobicContact CG2-CD1 3.71Å; V6-L74 HydrophobicContact CG2-CD2 3.96Å; F68-L74 HydrophobicContact CB-CD2 3.97Å; F68-L74 HydrophobicContact CB-CG 4.39Å; F68-L74 HydrophobicContact CD1-CD2 3.86Å; F68-L74 HydrophobicContact CD2-CD2 3.77Å; F68-L74 HydrophobicContact CE1-CD2 4.26Å; F68-L74 HydrophobicContact CE2-CD2 4.2Å; F68-L74 HydrophobicContact CG-CD2 3.58Å; F68-L74 HydrophobicContact CG-CG 4.49Å; F68-L74 HydrophobicContact CZ-CD2 4.42Å; I72-L74 PolarHBondContact O-N 2.92Å; L74-E76 PolarHBondContact O-N 2.98Å; L74-I77 PolarHBondContact O-N 2.72Å; L74-L78 HydrophobicContact CB-CD1 4.04Å; L74-L78 HydrophobicContact CB-CG 4.21Å; L74-L78 WeakPolarHBondContact O-CB 3.21Å; L74-L78 WeakPolarHBondContact O-CG 3.5Å; L74-L78 PolarHBondContact O-N 3.25Å; L74-V102 HydrophobicContact CD1-CG1 3.62Å
75P73.9Confident81Confident77 Ų7755.4 Ų55.450%0.529%0.285SS..Hα-helixtrans-56.5-26.7-178.7-28.436.9000115F73 P79F73-P75 VanDerWaalsContact C-N 3.32Å; F73-P75 HydrophobicContact CD1-CB 4.36Å; F73-P75 HydrophobicContact CD1-CG 4.46Å; F73-P75 HydrophobicContact CD2-CG 4.45Å; F73-P75 HydrophobicContact CE1-CB 3.83Å; F73-P75 HydrophobicContact CE1-CG 4.02Å; F73-P75 HydrophobicContact CE2-CG 4.01Å; F73-P75 HydrophobicContact CZ-CB 4.02Å; F73-P75 HydrophobicContact CZ-CG 3.77Å; F73-P75 VanDerWaalsContact O-N 3.16Å; P75-P79 VanDerWaalsContact O-CD 3.28Å; P75-P79 WeakPolarHBondContact O-CD 3.39Å
76E68.6Low81Confident149 Ų14960.5 Ų60.570%0.69631%0.308SS*.Hα-helixtrans-82.1-29.4176-79.2178.8-174.700113.1F73 L74F73-E76 HydrophobicContact CD1-CB 4.17Å; F73-E76 HydrophobicContact CD1-CG 3.7Å; F73-E76 HydrophobicContact CE1-CG 4.07Å; F73-E76 PolarHBondContact O-N 2.79Å; F73-E76 VanDerWaalsContact O-N 3.15Å; L74-E76 PolarHBondContact O-N 2.98Å
77I78.4Confident81.2Confident42 Ų4265.2 Ų65.222%0.21533%0.329CS..Hα-helixtrans-96.2-29.6-172.8-60.7162.8000111.7A25 I72 L74 F80 I81A25-I77 HydrophobicContact CB-CG2 3.64Å; I72-I77 HydrophobicContact CG2-CD1 3.26Å; L74-I77 PolarHBondContact O-N 2.72Å; I77-F80 WeakPolarHBondContact O-CA 3.42Å; I77-F80 VanDerWaalsContact O-CB 3.31Å; I77-F80 WeakPolarHBondContact O-CB 3.46Å; I77-F80 PolarHBondContact O-N 2.65Å; I77-I81 HydrophobicContact CG2-CD1 3.83Å; I77-I81 HydrophobicContact CG2-CG1 4.02Å; I77-I81 PolarHBondContact O-N 3.11Å
78L80.7Confident81.4Confident28 Ų2865.1 Ų65.115%0.14733%0.329CS..Hα-helixtrans-54.3-42.2177.6-75.8166.7000113.7V6 L74 F80 I81 K82 V100 V102V6-L78 HydrophobicContact CG1-CD2 4.13Å; V6-L78 HydrophobicContact CG2-CD2 4.03Å; L74-L78 HydrophobicContact CB-CD1 4.04Å; L74-L78 HydrophobicContact CB-CG 4.21Å; L74-L78 WeakPolarHBondContact O-CB 3.21Å; L74-L78 WeakPolarHBondContact O-CG 3.5Å; L74-L78 PolarHBondContact O-N 3.25Å; L78-F80 VanDerWaalsContact C-N 3.27Å; L78-F80 PolarHBondContact O-N 2.97Å; L78-I81 HydrophobicContact CD2-CD1 4.5Å; L78-I81 PolarHBondContact O-N 3.08Å; L78-K82 WeakPolarHBondContact O-CB 3.27Å; L78-K82 WeakPolarHBondContact O-CG 3.4Å; L78-K82 PolarHBondContact O-N 3.17Å; L78-V100 HydrophobicContact CD2-CG1 4.41Å; L78-V102 HydrophobicContact CD1-CG2 3.75Å; L78-V102 HydrophobicContact CD2-CG2 3.65Å; L78-V102 HydrophobicContact CG-CG2 4.36Å
79P79.7Confident81.7Confident75 Ų7568.3 Ų68.349%0.48735%0.35SS..Hα-helixtrans-60.4-36.8173.6-23.934.9000112.8P75 T83P75-P79 VanDerWaalsContact O-CD 3.28Å; P75-P79 WeakPolarHBondContact O-CD 3.39Å; P79-T83 VanDerWaalsContact O-CB 3.31Å; P79-T83 WeakPolarHBondContact O-CB 3.26Å; P79-T83 PolarHBondContact O-N 2.88Å; P79-T83 PolarHBondContact O-OG1 3.03Å
80F83.5Confident82.3Confident105 Ų10574.3 Ų74.346%0.46138%0.376SS..Hα-helixtrans-69.9-45.5177.8178.2-100.1000111.8I77 L78 T83 K84I77-F80 WeakPolarHBondContact O-CA 3.42Å; I77-F80 VanDerWaalsContact O-CB 3.31Å; I77-F80 WeakPolarHBondContact O-CB 3.46Å; I77-F80 PolarHBondContact O-N 2.65Å; L78-F80 VanDerWaalsContact C-N 3.27Å; L78-F80 PolarHBondContact O-N 2.97Å; F80-T83 PolarHBondContact O-N 3.5Å; F80-K84 HydrophobicContact CD1-CD 4.23Å; F80-K84 HydrophobicContact CE1-CD 3.57Å; F80-K84 HydrophobicContact CE1-CG 4.32Å; F80-K84 HydrophobicContact CE2-CD 4.38Å; F80-K84 HydrophobicContact CZ-CD 3.69Å; F80-K84 HydrophobicContact CZ-CG 4.28Å; F80-K84 PolarHBondContact O-N 3.23Å
81I87.4Confident82.8Confident0 Ų076 Ų760%038%0.381CS..Hα-helixtrans-55.4-53.6173.7-69.1164.9000109.8I21 L22 A25 F68 I77 L78 T83 K84 I85I21-I81 HydrophobicContact CG2-CB 4.48Å; I21-I81 HydrophobicContact CG2-CG2 4.21Å; L22-I81 HydrophobicContact CD2-CD1 4.05Å; L22-I81 HydrophobicContact CD2-CG1 4.44Å; L22-I81 HydrophobicContact CD2-CG2 3.75Å; A25-I81 HydrophobicContact CB-CD1 3.72Å; A25-I81 HydrophobicContact CB-CG1 3.56Å; F68-I81 HydrophobicContact CZ-CD1 3.98Å; I77-I81 HydrophobicContact CG2-CD1 3.83Å; I77-I81 HydrophobicContact CG2-CG1 4.02Å; I77-I81 PolarHBondContact O-N 3.11Å; L78-I81 HydrophobicContact CD2-CD1 4.5Å; L78-I81 PolarHBondContact O-N 3.08Å; I81-T83 PolarHBondContact O-N 3.31Å; I81-K84 PolarHBondContact O-N 3.2Å; I81-K84 VanDerWaalsContact O-N 3.17Å; I81-I85 HydrophobicContact CG2-CD1 3.58Å; I81-I85 HydrophobicContact CG2-CG1 4.42Å; I81-I85 WeakPolarHBondContact O-CG1 2.95Å; I81-I85 PolarHBondContact O-N 3.08Å
82K88.9Confident83.3Confident87 Ų8772.8 Ų72.838%0.37837%0.374SS..Hα-helixtrans-57.5-46.9179.2-74.3178.9175.5-1710112L78 K84 I85 E86 V100L78-K82 WeakPolarHBondContact O-CB 3.27Å; L78-K82 WeakPolarHBondContact O-CG 3.4Å; L78-K82 PolarHBondContact O-N 3.17Å; K82-K84 VanDerWaalsContact C-N 3.31Å; K82-K84 PolarHBondContact O-N 3.32Å; K82-I85 PolarHBondContact O-N 2.83Å; K82-E86 WeakPolarHBondContact O-CB 3.29Å; K82-E86 VanDerWaalsContact O-CG 3.27Å; K82-E86 WeakPolarHBondContact O-CG 3.44Å; K82-E86 PolarHBondContact O-N 3.28Å; K82-V100 HydrophobicContact CG-CB 4.47Å; K82-V100 HydrophobicContact CG-CG2 4.09Å
83T86.6Confident83.9Confident64 Ų6473.4 Ų73.439%0.39338%0.378SS..Hα-helixtrans-62.2-38.9179.1-57.90000111.9P79 F80 I81 K87P79-T83 VanDerWaalsContact O-CB 3.31Å; P79-T83 WeakPolarHBondContact O-CB 3.26Å; P79-T83 PolarHBondContact O-N 2.88Å; P79-T83 PolarHBondContact O-OG1 3.03Å; F80-T83 PolarHBondContact O-N 3.5Å; I81-T83 PolarHBondContact O-N 3.31Å; T83-K87 WeakPolarHBondContact O-CG 3.44Å; T83-K87 PolarHBondContact O-N 3.22Å
84K88.4Confident84.5Confident62 Ų6271.3 Ų71.327%0.2737%0.372SS..Hα-helixtrans-67.7-43.7176.6-84.4-168.7159.9179.20111.6I21 E24 F80 I81 K82 K87 L88I21-K84 HydrophobicContact CD1-CB 3.81Å; I21-K84 HydrophobicContact CG1-CB 4Å; I21-K84 HydrophobicContact CG1-CD 4.24Å; I21-K84 HydrophobicContact CG2-CB 3.78Å; I21-K84 HydrophobicContact CG2-CD 4.1Å; E24-K84 IonicContact OE2-NZ 3.41Å; E24-K84 PolarHBondContact OE2-NZ 3.5Å; F80-K84 HydrophobicContact CD1-CD 4.23Å; F80-K84 HydrophobicContact CE1-CD 3.57Å; F80-K84 HydrophobicContact CE1-CG 4.32Å; F80-K84 HydrophobicContact CE2-CD 4.38Å; F80-K84 HydrophobicContact CZ-CD 3.69Å; F80-K84 HydrophobicContact CZ-CG 4.28Å; F80-K84 PolarHBondContact O-N 3.23Å; I81-K84 PolarHBondContact O-N 3.2Å; I81-K84 VanDerWaalsContact O-N 3.17Å; K82-K84 VanDerWaalsContact C-N 3.31Å; K82-K84 PolarHBondContact O-N 3.32Å; K84-K87 PolarHBondContact O-N 2.79Å; K84-L88 PolarHBondContact O-N 2.89Å
85I89.6Confident85Confident0 Ų072 Ų720%038%0.375CS..Hα-helixtrans-64.4-43.5177.9-62.5165.1000110.5V8 V18 I21 I81 K82 K87 L88 I95 N98 V100V8-I85 HydrophobicContact CG1-CD1 3.93Å; V8-I85 HydrophobicContact CG2-CD1 4Å; V18-I85 HydrophobicContact CG1-CD1 4.35Å; V18-I85 HydrophobicContact CG2-CG1 4.29Å; V18-I85 HydrophobicContact CG2-CG2 4.2Å; I21-I85 HydrophobicContact CD1-CG1 3.86Å; I21-I85 HydrophobicContact CG2-CG1 4.27Å; I81-I85 HydrophobicContact CG2-CD1 3.58Å; I81-I85 HydrophobicContact CG2-CG1 4.42Å; I81-I85 WeakPolarHBondContact O-CG1 2.95Å; I81-I85 PolarHBondContact O-N 3.08Å; K82-I85 PolarHBondContact O-N 2.83Å; I85-K87 PolarHBondContact O-N 3.41Å; I85-K87 VanDerWaalsContact O-N 3.11Å; I85-L88 HydrophobicContact CG2-CD1 4.23Å; I85-L88 VanDerWaalsContact O-CB 3.27Å; I85-L88 WeakPolarHBondContact O-CB 3.31Å; I85-L88 WeakPolarHBondContact O-CG 3.47Å; I85-L88 PolarHBondContact O-N 3.1Å; I85-I95 HydrophobicContact CG2-CB 4.41Å; I85-I95 HydrophobicContact CG2-CG2 4.1Å; I85-N98 WeakPolarHBondContact CG2-OD1 3.42Å; I85-V100 HydrophobicContact CD1-CG2 4.5Å
86E90.8Very high85.6Confident117 Ų11769.9 Ų69.955%0.54737%0.368SS..Hα-helixtrans-61.3-20.3177.2-76.2174177.100113.9K82 P89K82-E86 WeakPolarHBondContact O-CB 3.29Å; K82-E86 VanDerWaalsContact O-CG 3.27Å; K82-E86 WeakPolarHBondContact O-CG 3.44Å; K82-E86 PolarHBondContact O-N 3.28Å; E86-P89 WeakPolarHBondContact O-CD 3.49Å
87K89.9Confident86.3Confident100 Ų10068.2 Ų68.244%0.43536%0.358SS..Hα-helixtrans-87.9-13.6175.2-73.6179.4-176.8-171.20113.8T83 K84 I85 P89 E90 F91T83-K87 WeakPolarHBondContact O-CG 3.44Å; T83-K87 PolarHBondContact O-N 3.22Å; K84-K87 PolarHBondContact O-N 2.79Å; I85-K87 PolarHBondContact O-N 3.41Å; I85-K87 VanDerWaalsContact O-N 3.11Å; K87-P89 VanDerWaalsContact C-N 3.27Å; K87-E90 WeakPolarHBondContact O-CB 3.23Å; K87-E90 PolarHBondContact O-N 3.19Å; K87-F91 HydrophobicContact CB-CE2 4.43Å; K87-F91 VanDerWaalsContact O-CD2 3.28Å; K87-F91 WeakPolarHBondContact O-CD2 3.48Å
88L89.1Confident86.8Confident14 Ų1468 Ų687%0.07336%0.357CS..G310 helixtrans-54.9-35.5178.8-65.7179.4000113.8A14 A17 V18 I21 K84 I85 E90 F91 G92 L93 I95A14-L88 HydrophobicContact CB-CD1 4.49Å; A17-L88 HydrophobicContact CB-CD1 3.86Å; A17-L88 HydrophobicContact CB-CD2 3.68Å; A17-L88 HydrophobicContact CB-CG 4.42Å; V18-L88 HydrophobicContact CG2-CD1 3.87Å; I21-L88 HydrophobicContact CD1-CD1 4Å; I21-L88 HydrophobicContact CD1-CD2 3.96Å; I21-L88 HydrophobicContact CD1-CG 4.1Å; K84-L88 PolarHBondContact O-N 2.89Å; I85-L88 HydrophobicContact CG2-CD1 4.23Å; I85-L88 VanDerWaalsContact O-CB 3.27Å; I85-L88 WeakPolarHBondContact O-CB 3.31Å; I85-L88 WeakPolarHBondContact O-CG 3.47Å; I85-L88 PolarHBondContact O-N 3.1Å; L88-E90 PolarHBondContact O-N 3.41Å; L88-F91 CarbonylContact O-C 3.47Å; L88-F91 WeakPolarHBondContact O-CA 3.28Å; L88-F91 WeakPolarHBondContact O-CB 3.13Å; L88-F91 PolarHBondContact O-N 3.37Å; L88-G92 PolarHBondContact O-N 2.84Å; L88-L93 CarbonylContact C-O 3.54Å; L88-L93 HydrophobicContact CB-CB 4.08Å; L88-L93 HydrophobicContact CB-CD1 4.43Å; L88-L93 HydrophobicContact CD2-CD1 4.11Å; L88-L93 PolarHBondContact O-N 2.95Å; L88-I95 HydrophobicContact CB-CG2 3.59Å; L88-I95 HydrophobicContact CD1-CG2 3.87Å; L88-I95 HydrophobicContact CG-CG2 4.29Å
89P90.2Very high87.2Confident67 Ų6770.3 Ų70.344%0.43537%0.369SS..G310 helixtrans-60.2-26.2172.1-26.436.9000114.6E86 K87 F91 G92 L93 I95E86-P89 WeakPolarHBondContact O-CD 3.49Å; K87-P89 VanDerWaalsContact C-N 3.27Å; P89-F91 PolarHBondContact O-N 2.99Å; P89-G92 PolarHBondContact O-N 3.36Å; P89-G92 VanDerWaalsContact O-N 3.11Å; P89-L93 VanDerWaalsContact CA-O 3.23Å; P89-L93 WeakPolarHBondContact CA-O 3.01Å; P89-I95 HydrophobicContact CG-CD1 3.83Å; P89-I95 HydrophobicContact CG-CG1 3.95Å; P89-I95 HydrophobicContact CG-CG2 4.3Å
90E90Very high87.6Confident152 Ų15268 Ų6871%0.7135%0.353SS*.G310 helixtrans-66.4-22.2173.7-57.1-178.8179.200112K87 L88K87-E90 WeakPolarHBondContact O-CB 3.23Å; K87-E90 PolarHBondContact O-N 3.19Å; L88-E90 PolarHBondContact O-N 3.41Å
91F86Confident87.8Confident157 Ų15768.2 Ų68.269%0.68936%0.356SS*.G310 helixtrans-97.66.9175.5-56.8-82.7000112.8K87 L88 P89K87-F91 HydrophobicContact CB-CE2 4.43Å; K87-F91 VanDerWaalsContact O-CD2 3.28Å; K87-F91 WeakPolarHBondContact O-CD2 3.48Å; L88-F91 CarbonylContact O-C 3.47Å; L88-F91 WeakPolarHBondContact O-CA 3.28Å; L88-F91 WeakPolarHBondContact O-CB 3.13Å; L88-F91 PolarHBondContact O-N 3.37Å; P89-F91 PolarHBondContact O-N 2.99Å
92G84.8Confident87.8Confident62 Ų6271.6 Ų71.664%0.63938%0.376SS*.THydrogen-bonded Turntrans85.113.8178.500000115.1L88 P89L88-G92 PolarHBondContact O-N 2.84Å; P89-G92 PolarHBondContact O-N 3.36Å; P89-G92 VanDerWaalsContact O-N 3.11Å
93L83.6Confident87.5Confident49 Ų4969.7 Ų69.726%0.25737%0.374SS..  trans-100.1120.5177.3-64.4170.7000111A14 A17 L88 P89 I95A14-L93 HydrophobicContact CB-CB 4.45Å; A17-L93 HydrophobicContact CB-CD1 3.63Å; L88-L93 CarbonylContact C-O 3.54Å; L88-L93 HydrophobicContact CB-CB 4.08Å; L88-L93 HydrophobicContact CB-CD1 4.43Å; L88-L93 HydrophobicContact CD2-CD1 4.11Å; L88-L93 PolarHBondContact O-N 2.95Å; P89-L93 VanDerWaalsContact CA-O 3.23Å; P89-L93 WeakPolarHBondContact CA-O 3.01Å; L93-I95 PolarHBondContact O-N 2.88Å
94N86.1Confident87.1Confident84 Ų8472 Ų7245%0.44938%0.381SS..  trans-72.4119.9170.4-172.26.2000109.6E11 E13 A14 G96E11-N94 WeakPolarHBondContact CB-O 3.4Å; E11-N94 HydrophobicContact CG-CB 4.1Å; E13-N94 HydrophobicContact CG-CB 4.24Å; E13-N94 VanDerWaalsContact OE1-CA 3.29Å; E13-N94 WeakPolarHBondContact OE1-CA 3.15Å; E13-N94 WeakPolarHBondContact OE1-CB 3.45Å; E13-N94 PolarHBondContact OE1-N 3.46Å; A14-N94 VanDerWaalsContact CB-O 3.28Å; A14-N94 WeakPolarHBondContact CB-O 3.38Å; N94-G96 VanDerWaalsContact C-N 3.34Å; N94-G96 PolarHBondContact OD1-N 3.29Å
95I88.2Confident85.9Confident20 Ų2070.1 Ų70.110%0.10337%0.374CS..  trans-92.61.2177.959.6180000112.9T10 A14 I85 L88 P89 L93 K97 N98T10-I95 WeakPolarHBondContact CA-O 3.02Å; T10-I95 PolarHBondContact OG1-O 3.31Å; A14-I95 HydrophobicContact CB-CG2 4.27Å; I85-I95 HydrophobicContact CG2-CB 4.41Å; I85-I95 HydrophobicContact CG2-CG2 4.1Å; L88-I95 HydrophobicContact CB-CG2 3.59Å; L88-I95 HydrophobicContact CD1-CG2 3.87Å; L88-I95 HydrophobicContact CG-CG2 4.29Å; P89-I95 HydrophobicContact CG-CD1 3.83Å; P89-I95 HydrophobicContact CG-CG1 3.95Å; P89-I95 HydrophobicContact CG-CG2 4.3Å; L93-I95 PolarHBondContact O-N 2.88Å; I95-K97 PolarHBondContact O-N 3.03Å; I95-N98 HydrophobicContact CB-CB 4.25Å; I95-N98 HydrophobicContact CD1-CB 3.86Å; I95-N98 HydrophobicContact CG1-CB 3.99Å; I95-N98 PolarHBondContact O-N 3.13Å
96G86.9Confident84.4Confident33 Ų3375.7 Ų75.734%0.3440%0.4SS..THydrogen-bonded Turntrans56.1-125.6175.300000112.1E11 N94 N98E11-G96 WeakPolarHBondContact OE1-CA 3.32Å; N94-G96 VanDerWaalsContact C-N 3.34Å; N94-G96 PolarHBondContact OD1-N 3.29Å; G96-N98 VanDerWaalsContact C-N 3.29Å; G96-N98 PolarHBondContact O-N 2.64Å
97K84.4Confident82.3Confident115 Ų11574 Ų7450%0.539%0.392SS..THydrogen-bonded Turntrans-67.1-27.9-179-67.9177.6-178.7159.30113.3T9 E60 I95 I99T9-K97 HydrophobicContact CG2-CB 4.27Å; T9-K97 HydrophobicContact CG2-CD 4.24Å; E60-K97 WeakPolarHBondContact OE1-CE 3.49Å; E60-K97 IonicContact OE1-NZ 2.75Å; E60-K97 PolarHBondContact OE1-NZ 3.38Å; I95-K97 PolarHBondContact O-N 3.03Å; K97-I99 VanDerWaalsContact C-N 3.26Å; K97-I99 HydrophobicContact CB-CD1 3.93Å; K97-I99 HydrophobicContact CB-CG1 3.95Å; K97-I99 HydrophobicContact CD-CD1 4.29Å; K97-I99 PolarHBondContact O-N 3.41Å
98N88.5Confident80.3Confident36 Ų3672.8 Ų72.819%0.19340%0.396CS..  trans41.951.1-175.5-173.825.6000113.2T9 I85 I95 G96T9-N98 CarbonylContact O-C 3.55Å; T9-N98 WeakPolarHBondContact O-CA 3.15Å; T9-N98 PolarHBondContact O-N 3.26Å; I85-N98 WeakPolarHBondContact CG2-OD1 3.42Å; I95-N98 HydrophobicContact CB-CB 4.25Å; I95-N98 HydrophobicContact CD1-CB 3.86Å; I95-N98 HydrophobicContact CG1-CB 3.99Å; I95-N98 PolarHBondContact O-N 3.13Å; G96-N98 VanDerWaalsContact C-N 3.29Å; G96-N98 PolarHBondContact O-N 2.64Å
99I88.1Confident78.4Confident78 Ų7876.9 Ų76.940%0.442%0.418SS..EExtended strand (participates in β ladder)trans-92.4116.8178.9-61.3169.2000107.6V8 T9 K97 E101V8-I99 CarbonylContact C-O 3.53Å; V8-I99 VanDerWaalsContact CA-O 3.3Å; V8-I99 WeakPolarHBondContact CA-O 3.45Å; T9-I99 PolarHBondContact N-O 3.2Å; T9-I99 PolarHBondContact O-N 2.87Å; T9-I99 VanDerWaalsContact O-N 3.11Å; K97-I99 VanDerWaalsContact C-N 3.26Å; K97-I99 HydrophobicContact CB-CD1 3.93Å; K97-I99 HydrophobicContact CB-CG1 3.95Å; K97-I99 HydrophobicContact CD-CD1 4.29Å; K97-I99 PolarHBondContact O-N 3.41Å; I99-E101 HydrophobicContact CG2-CG 3.84Å
100V88Confident76.1Confident25 Ų2575.2 Ų75.215%0.15240%0.404CS..EExtended strand (participates in β ladder)trans-105113175.8-174.70000109.5V6 K7 V8 L78 K82 I85V6-V100 HydrophobicContact CG1-CG1 3.74Å; K7-V100 CarbonylContact O-C 3.56Å; K7-V100 VanDerWaalsContact O-CA 3.27Å; K7-V100 WeakPolarHBondContact O-CA 3.34Å; V8-V100 HydrophobicContact CG1-CG2 4.37Å; V8-V100 HydrophobicContact CG2-CG1 4.39Å; V8-V100 HydrophobicContact CG2-CG2 4.18Å; L78-V100 HydrophobicContact CD2-CG1 4.41Å; K82-V100 HydrophobicContact CG-CB 4.47Å; K82-V100 HydrophobicContact CG-CG2 4.09Å; I85-V100 HydrophobicContact CD1-CG2 4.5Å
101E88.9Confident74.2Confident110 Ų11070 Ų7051%0.51439%0.386SS..EExtended strand (participates in β ladder)trans-109.7147.8176.7-54.2-174.8105.300110.1V6 K7 I99V6-E101 CarbonylContact C-O 3.52Å; V6-E101 WeakPolarHBondContact CA-O 3.47Å; K7-E101 HydrophobicContact CB-CB 4.35Å; K7-E101 PolarHBondContact N-O 2.87Å; K7-E101 PolarHBondContact O-N 2.88Å; I99-E101 HydrophobicContact CG2-CG 3.84Å
102V86.5Confident72.5Confident71 Ų7166.4 Ų66.443%0.4338%0.377SS..EExtended strand (participates in β ladder)trans-128.6127.3178.7-174.50000108.3E5 V6 L74 L78E5-V102 CarbonylContact O-C 3.55Å; E5-V102 VanDerWaalsContact O-CA 3.26Å; E5-V102 WeakPolarHBondContact O-CA 3.43Å; V6-V102 HydrophobicContact CG2-CG2 4.35Å; L74-V102 HydrophobicContact CD1-CG1 3.62Å; L78-V102 HydrophobicContact CD1-CG2 3.75Å; L78-V102 HydrophobicContact CD2-CG2 3.65Å; L78-V102 HydrophobicContact CG-CG2 4.36Å
103S83.9Confident70.7Confident47 Ų4765.5 Ų65.533%0.32936%0.363SS..EExtended strand (participates in β ladder)trans-129.8153.6177830000110.5N4 E5N4-S103 CarbonylContact C-O 3.56Å; N4-S103 WeakPolarHBondContact CA-O 3.44Å; E5-S103 PolarHBondContact N-O 2.81Å; E5-S103 PolarHBondContact O-N 2.96Å; E5-S103 PolarHBondContact OE1-OG 2.98Å
104E76.6Confident69.3Low114 Ų11465 Ų6553%0.53336%0.358SS..EExtended strand (participates in β ladder)trans-93.6126.7169.9-168.6-177.5152.300107.6K2K2-E104 WeakPolarHBondContact CD-OE1 3.38Å; K2-E104 WeakPolarHBondContact CE-OE1 2.88Å; K2-E104 IonicContact NZ-OE1 2.66Å; K2-E104 PolarHBondContact NZ-OE1 2.94Å
105V64.8Low67.9Low21 Ų2163.6 Ų63.613%0.12735%0.348CS..EExtended strand (participates in β ladder)trans-115.8122.5-179.8-171.40000107.9W3 E5 D109 W110W3-V105 PolarHBondContact N-O 3.44Å; W3-V105 PolarHBondContact O-N 3.47Å; E5-V105 HydrophobicContact CB-CG2 3.57Å; V105-D109 HydrophobicContact CG1-CB 4.18Å; V105-W110 HydrophobicContact CG1-CB 3.96Å
106E57.1Low66.3Low117 Ų11770.2 Ų70.255%0.54738%0.376SS..EExtended strand (participates in β ladder)trans-66.9137.1170.8-69.4-162.8162.800109.3S108 D109 W110E106-S108 PolarHBondContact O-N 2.96Å; E106-D109 WeakPolarHBondContact O-CA 3.29Å; E106-D109 PolarHBondContact O-N 3.44Å; E106-W110 PolarHBondContact O-N 2.75Å
107E47.7Very low64.8Low82 Ų8274.5 Ų74.538%0.38338%0.383SS..Hα-helixtrans-53.6-28.4-179.5167.7179.8-125.100113.6M1 W110 A111M1-E107 PolarHBondContact N-OE2 3.39Å; M1-E107 WeakPolarHBondContact O-CB 3.42Å; M1-E107 PolarHBondContact O-N 3.43Å; E107-W110 PolarHBondContact O-N 2.86Å; E107-A111 VanDerWaalsContact O-CB 3.24Å; E107-A111 WeakPolarHBondContact O-CB 3.41Å; E107-A111 PolarHBondContact O-N 2.88Å
108S46.6Very low63.9Low75 Ų7570.1 Ų70.152%0.52436%0.364SS..Hα-helixtrans-66.5-37.3174.150.20000113.2E106 T112E106-S108 PolarHBondContact O-N 2.96Å; S108-T112 PolarHBondContact O-OG1 3.48Å; S108-T112 VanDerWaalsContact O-OG1 3.11Å
109D49Very low63.1Low100 Ų10071.6 Ų71.654%0.53537%0.369SS..Hα-helixtrans-76.8-37.6174.7-73.6-16.9000110.1V105 E106 T112 A113V105-D109 HydrophobicContact CG1-CB 4.18Å; E106-D109 WeakPolarHBondContact O-CA 3.29Å; E106-D109 PolarHBondContact O-N 3.44Å; D109-T112 PolarHBondContact O-N 3.46Å; D109-T112 PolarHBondContact O-OG1 2.93Å; D109-A113 WeakPolarHBondContact O-CB 3.45Å; D109-A113 PolarHBondContact O-N 3.25Å
110W43.2Very low63Low32 Ų3269.8 Ų69.812%0.12136%0.362CS..Hα-helixtrans-61.7-51176.2-171.979000112Y67 V105 E106 E107 T112 A113 M152Y67-W110 AromaticContact CD1-CD1 3.3Å; Y67-W110 AromaticContact CD1-NE1 3.2Å; Y67-W110 AromaticContact CD2-NE1 3.32Å; Y67-W110 VanDerWaalsContact CD2-NE1 3.32Å; Y67-W110 AromaticContact CE1-CD1 3.49Å; Y67-W110 VanDerWaalsContact CE1-CD1 3.49Å; Y67-W110 AromaticContact CE1-NE1 3.62Å; Y67-W110 AromaticContact CE2-NE1 3.72Å; Y67-W110 AromaticContact CG-CD1 3.69Å; Y67-W110 AromaticContact CG-NE1 3.04Å; Y67-W110 AromaticContact CZ-NE1 3.87Å; V105-W110 HydrophobicContact CG1-CB 3.96Å; E106-W110 PolarHBondContact O-N 2.75Å; E107-W110 PolarHBondContact O-N 2.86Å; W110-T112 PolarHBondContact O-N 3.16Å; W110-A113 PolarHBondContact O-N 2.97Å; W110-M152 HydrophobicContact CH2-CG 4.1Å; W110-M152 HydrophobicContact CZ3-CG 4.24Å
111A48.9Very low62.9Low41 Ų4170.2 Ų70.234%0.33937%0.365SS..Hα-helixtrans-59.8-14.5-176.700000113.9E107 K115E107-A111 VanDerWaalsContact O-CB 3.24Å; E107-A111 WeakPolarHBondContact O-CB 3.41Å; E107-A111 PolarHBondContact O-N 2.88Å; A111-K115 WeakPolarHBondContact O-CE 3.3Å
112T51.3Low63Low82 Ų8270.8 Ų70.850%0.50336%0.362SS..Hα-helixtrans-118.1-23.7-179.752.30000114.6S108 D109 W110 K115S108-T112 PolarHBondContact O-OG1 3.48Å; S108-T112 VanDerWaalsContact O-OG1 3.11Å; D109-T112 PolarHBondContact O-N 3.46Å; D109-T112 PolarHBondContact O-OG1 2.93Å; W110-T112 PolarHBondContact O-N 3.16Å; T112-K115 WeakPolarHBondContact O-CB 3.27Å; T112-K115 PolarHBondContact O-N 3.23Å
113A46.9Very low63.2Low43 Ų4368 Ų6836%0.35535%0.345SS..Hα-helixtrans-67.1-44-176.300000112.8D109 W110 K115 K116D109-A113 WeakPolarHBondContact O-CB 3.45Å; D109-A113 PolarHBondContact O-N 3.25Å; W110-A113 PolarHBondContact O-N 2.97Å; A113-K115 PolarHBondContact O-N 3.06Å; A113-K116 PolarHBondContact O-N 3.25Å
114W54.1Low63.5Low39 Ų3966.4 Ų66.415%0.14833%0.334CS..G310 helixtrans-66.9-25.8179.467.3-100.9000112.4K116 Y117 Y118 W133 P150W114-K116 PolarHBondContact O-N 2.75Å; W114-K116 VanDerWaalsContact O-N 3.1Å; W114-Y117 PolarHBondContact O-N 2.82Å; W114-Y117 VanDerWaalsContact O-N 3.13Å; W114-Y118 HydrophobicContact CE3-CG 4.3Å; W114-Y118 HydrophobicContact CZ3-CD1 4.13Å; W114-Y118 HydrophobicContact CZ3-CD2 4.47Å; W114-Y118 HydrophobicContact CZ3-CG 4Å; W114-W133 HydrophobicContact CE3-CH2 4.14Å; W114-W133 HydrophobicContact CE3-CZ2 4.17Å; W114-W133 AromaticContact CH2-CH2 3.01Å; W114-W133 HydrophobicContact CH2-CH2 3.01Å; W114-W133 AromaticContact CH2-CZ2 3.84Å; W114-W133 HydrophobicContact CH2-CZ2 3.84Å; W114-W133 AromaticContact CH2-CZ3 3.55Å; W114-W133 HydrophobicContact CH2-CZ3 3.55Å; W114-W133 HydrophobicContact CZ2-CH2 4.01Å; W114-W133 HydrophobicContact CZ2-CZ3 4.28Å; W114-W133 AromaticContact CZ3-CH2 3.09Å; W114-W133 HydrophobicContact CZ3-CH2 3.09Å; W114-W133 AromaticContact CZ3-CZ2 3.5Å; W114-W133 HydrophobicContact CZ3-CZ2 3.5Å; W114-W133 VanDerWaalsContact CZ3-CZ2 3.5Å; W114-W133 HydrophobicContact CZ3-CZ3 4.1Å; W114-P150 HydrophobicContact CH2-CB 3.49Å; W114-P150 VanDerWaalsContact CH2-CB 3.49Å; W114-P150 HydrophobicContact CH2-CG 3.61Å; W114-P150 HydrophobicContact CZ2-CB 4.43Å; W114-P150 HydrophobicContact CZ3-CB 3.71Å; W114-P150 HydrophobicContact CZ3-CG 3.6Å
115K56.9Low64.2Low54 Ų5469.3 Ų69.324%0.23534%0.34CS..G310 helixtrans-59.5-23.9179.2-64.3-167.7168.5-167.10113.4A111 T112 A113 Y117 W133A111-K115 WeakPolarHBondContact O-CE 3.3Å; T112-K115 WeakPolarHBondContact O-CB 3.27Å; T112-K115 PolarHBondContact O-N 3.23Å; A113-K115 PolarHBondContact O-N 3.06Å; K115-Y117 VanDerWaalsContact C-N 3.33Å; K115-W133 HydrophobicContact CB-CD2 4.12Å; K115-W133 HydrophobicContact CB-CZ2 3.82Å; K115-W133 HydrophobicContact CD-CD2 3.66Å; K115-W133 HydrophobicContact CD-CE3 3.73Å; K115-W133 HydrophobicContact CD-CG 4.17Å; K115-W133 HydrophobicContact CD-CH2 4.49Å; K115-W133 HydrophobicContact CD-CZ2 4.33Å; K115-W133 HydrophobicContact CD-CZ3 4.17Å; K115-W133 HydrophobicContact CG-CD2 3.94Å; K115-W133 HydrophobicContact CG-CE3 4.17Å; K115-W133 HydrophobicContact CG-CH2 4.07Å; K115-W133 HydrophobicContact CG-CZ2 3.71Å; K115-W133 HydrophobicContact CG-CZ3 4.24Å; K115-W133 PolarHBondContact O-NE1 3.28Å
116K53.5Low65.6Low160 Ų16072.2 Ų72.270%0.69635%0.349SS*.G310 helixtrans-73.1-23.3179.6-68.3-176.3179.9177.20114.2A113 W114 H119A113-K116 PolarHBondContact O-N 3.25Å; W114-K116 PolarHBondContact O-N 2.75Å; W114-K116 VanDerWaalsContact O-N 3.1Å; K116-H119 PolarHBondContact O-CE1 3.02Å; K116-H119 PolarHBondContact O-NE2 2.77Å
117Y56.4Low67.4Low123 Ų12366.6 Ų66.648%0.48232%0.323SS..G310 helixtrans-103.1-0.3-174.7-59.3-81.3000112.5E33 W114 K115E33-Y117 HydrophobicContact CG-CE1 4.2Å; E33-Y117 WeakPolarHBondContact OE1-CE1 3.5Å; E33-Y117 PolarHBondContact OE1-OH 3.48Å; W114-Y117 PolarHBondContact O-N 2.82Å; W114-Y117 VanDerWaalsContact O-N 3.13Å; K115-Y117 VanDerWaalsContact C-N 3.33Å
118Y64.5Low69.6Low23 Ų2362.8 Ų62.89%0.0931%0.305CS..  trans-113.597.5-167.7-165.6-92.2000107.8W114 P131 W133 P150 T156 T158W114-Y118 HydrophobicContact CE3-CG 4.3Å; W114-Y118 HydrophobicContact CZ3-CD1 4.13Å; W114-Y118 HydrophobicContact CZ3-CD2 4.47Å; W114-Y118 HydrophobicContact CZ3-CG 4Å; Y118-P131 HydrophobicContact CD1-CB 3.63Å; Y118-P131 HydrophobicContact CD1-CG 3.43Å; Y118-P131 VanDerWaalsContact CD1-CG 3.43Å; Y118-P131 HydrophobicContact CE1-CB 3.95Å; Y118-P131 HydrophobicContact CE1-CG 3.8Å; Y118-P131 WeakPolarHBondContact O-CG 3.4Å; Y118-W133 AromaticContact CD1-CH2 3.87Å; Y118-W133 HydrophobicContact CD1-CH2 3.87Å; Y118-W133 AromaticContact CD1-CZ2 3.63Å; Y118-W133 HydrophobicContact CD1-CZ2 3.63Å; Y118-W133 HydrophobicContact CE1-CH2 4.45Å; Y118-W133 HydrophobicContact CG-CZ2 4.18Å; Y118-P150 HydrophobicContact CD1-CG 4.06Å; Y118-P150 HydrophobicContact CE1-CG 3.45Å; Y118-P150 VanDerWaalsContact CE1-CG 3.45Å; Y118-P150 HydrophobicContact CE2-CG 4.12Å; Y118-P150 VanDerWaalsContact CZ-CG 3.45Å; Y118-T156 HydrophobicContact CE2-CG2 3.77Å; Y118-T156 VanDerWaalsContact OH-C 3.26Å; Y118-T156 WeakPolarHBondContact OH-CA 3.43Å; Y118-T156 WeakPolarHBondContact OH-CB 3.41Å; Y118-T156 PolarHBondContact OH-O 3.12Å; Y118-T158 HydrophobicContact CE2-CG2 4.43Å
119H73.3Confident71.7Confident66 Ų6659.3 Ų59.331%0.30628%0.281SS..  trans-109.4166.1-174.9-63.7-54.9000111.1F55 K116 V121 E134F55-H119 AromaticContact CZ-CD2 3.75Å; F55-H119 AromaticContact CZ-NE2 3.28Å; F55-H119 VanDerWaalsContact CZ-NE2 3.28Å; F55-H119 WeakPolarHBondContact CZ-NE2 3.49Å; K116-H119 PolarHBondContact O-CE1 3.02Å; K116-H119 PolarHBondContact O-NE2 2.77Å; H119-V121 WeakPolarHBondContact O-CG2 3.45Å; H119-V121 PolarHBondContact O-N 3.25Å; H119-E134 IonicContact CE1-OE1 3.68Å; H119-E134 PolarHBondContact CE1-OE1 3.06Å; H119-E134 IonicContact CG-OE1 2.7Å; H119-E134 IonicContact ND1-OE1 3.08Å; H119-E134 PolarHBondContact ND1-OE1 2.85Å; H119-E134 IonicContact ND1-OE2 3.85Å
120P85.8Confident73.8Confident40 Ų4054.8 Ų54.826%0.2626%0.257SS..  trans-48.2125.2170.3-31.532.8000112.6T128 I129 V130 E134 Y136P120-T128 HydrophobicContact CB-CG2 4.2Å; P120-I129 CarbonylContact C-O 3.54Å; P120-I129 VanDerWaalsContact CA-O 3.28Å; P120-I129 WeakPolarHBondContact CA-O 3.26Å; P120-V130 HydrophobicContact CB-CG2 4.26Å; P120-V130 HydrophobicContact CG-CG1 4.37Å; P120-V130 HydrophobicContact CG-CG2 4.4Å; P120-E134 WeakPolarHBondContact CD-OE2 3.49Å; P120-Y136 HydrophobicContact CB-CD2 3.72Å; P120-Y136 HydrophobicContact CB-CE2 4.05Å; P120-Y136 HydrophobicContact CB-CG 4.36Å; P120-Y136 HydrophobicContact CG-CD2 3.69Å; P120-Y136 HydrophobicContact CG-CE2 4.47Å; P120-Y136 HydrophobicContact CG-CG 4.21Å
121V86.2Confident75.8Confident34 Ų3453.2 Ų53.221%0.20625%0.251CS..EExtended strand (participates in β ladder)trans-110112.5176.3-178.80000108.3H119 V123 T128 I129 T158H119-V121 WeakPolarHBondContact O-CG2 3.45Å; H119-V121 PolarHBondContact O-N 3.25Å; V121-V123 HydrophobicContact CG1-CG2 4.47Å; V121-V123 PolarHBondContact O-N 3.3Å; V121-T128 WeakPolarHBondContact O-CA 3.38Å; V121-I129 PolarHBondContact N-O 3.11Å; V121-I129 PolarHBondContact O-N 3.14Å; V121-T158 HydrophobicContact CG2-CG2 3.65Å
122R90.5Very high77.6Confident122 Ų12253.5 Ų53.546%0.4625%0.25SC..EExtended strand (participates in β ladder)trans-76.9111.2170.6179.1166.5-83.3168.9-11109.5T124 Y136 E143R122-T124 WeakPolarHBondContact CG-O 3.47Å; R122-Y136 PolarHBondContact NH2-OH 2.71Å; R122-E143 IonicContact CZ-OE1 3.68Å; R122-E143 IonicContact NE-OE1 2.89Å; R122-E143 VanDerWaalsContact NH2-CD 3.27Å; R122-E143 IonicContact NH2-OE1 3.56Å; R122-E143 PolarHBondContact NH2-OE1 3.16Å; R122-E143 IonicContact NH2-OE2 3.42Å; R122-E143 PolarHBondContact NH2-OE2 2.95Å
123V90.1Very high79.1Confident12 Ų1253.2 Ų53.27%0.07324%0.24CC..  trans-86.9-44.8-176.8178.70000111.2V121 L127 I129 N163 L166V121-V123 HydrophobicContact CG1-CG2 4.47Å; V121-V123 PolarHBondContact O-N 3.3Å; V123-L127 PolarHBondContact N-O 3.44Å; V123-I129 HydrophobicContact CG2-CD1 3.69Å; V123-I129 HydrophobicContact CG2-CG1 4.02Å; V123-N163 HydrophobicContact CG1-CB 4.45Å; V123-N163 WeakPolarHBondContact CG1-OD1 3.22Å; V123-N163 WeakPolarHBondContact CG2-OD1 3.36Å; V123-L166 HydrophobicContact CB-CD1 4.44Å; V123-L166 HydrophobicContact CG1-CB 3.72Å; V123-L166 HydrophobicContact CG1-CD1 3.88Å; V123-L166 HydrophobicContact CG1-CG 4.47Å; V123-L166 HydrophobicContact CG2-CD1 4.01Å
124T90.8Very high80.9Confident14 Ų1453.8 Ų53.89%0.08624%0.235CC..SBendtrans-133.4-179.7175.780.10000109.6R122 Y126 L127 Q167 E170R122-T124 WeakPolarHBondContact CG-O 3.47Å; T124-Y126 PolarHBondContact O-N 3.23Å; T124-Y126 PolarHBondContact OG1-N 3.34Å; T124-L127 HydrophobicContact CG2-CB 4.45Å; T124-L127 PolarHBondContact N-O 2.9Å; T124-L127 VanDerWaalsContact N-O 3.16Å; T124-L127 WeakPolarHBondContact OG1-CB 3.48Å; T124-L127 PolarHBondContact OG1-N 3.01Å; T124-Q167 HydrophobicContact CG2-CG 3.83Å; T124-E170 WeakPolarHBondContact CB-OE1 3.18Å; T124-E170 VanDerWaalsContact CB-OE2 3.31Å; T124-E170 WeakPolarHBondContact CB-OE2 3.32Å; T124-E170 WeakPolarHBondContact CG2-OE2 3.38Å; T124-E170 PolarHBondContact OG1-OE1 3.47Å; T124-E170 PolarHBondContact OG1-OE2 3.02Å
125R90.8Very high82.4Confident176 Ų17662.1 Ų62.166%0.66427%0.272SS*.SBendtrans-59.2-29.1171-179.7173.8179166.10.3112.6H140R125-H140 PolarHBondContact O-CE1 2.66Å; R125-H140 PolarHBondContact O-NE2 3Å
126Y94Very high84Confident81 Ų8162.2 Ų62.232%0.31827%0.272SS..SBendtrans-116.84.4-171.7-59.3-76.5000113.6T124 H140 D142 K144T124-Y126 PolarHBondContact O-N 3.23Å; T124-Y126 PolarHBondContact OG1-N 3.34Å; Y126-H140 AromaticContact CD1-CE1 3.85Å; Y126-D142 HydrophobicContact CD1-CB 3.74Å; Y126-D142 HydrophobicContact CE1-CB 3.82Å; Y126-K144 WeakPolarHBondContact O-CB 3.32Å; Y126-K144 PolarHBondContact O-N 3.15Å
127L94.9Very high85.8Confident0 Ų062.8 Ų62.80%028%0.277CS..EExtended strand (participates in β ladder)trans-137.6124.7-177.8-167.373.5000111.4V123 T124 K144 I146 L166 A192 L195 Y196V123-L127 PolarHBondContact N-O 3.44Å; T124-L127 HydrophobicContact CG2-CB 4.45Å; T124-L127 PolarHBondContact N-O 2.9Å; T124-L127 VanDerWaalsContact N-O 3.16Å; T124-L127 WeakPolarHBondContact OG1-CB 3.48Å; T124-L127 PolarHBondContact OG1-N 3.01Å; L127-K144 WeakPolarHBondContact CA-O 3.44Å; L127-K144 HydrophobicContact CD1-CB 3.88Å; L127-I146 HydrophobicContact CD1-CD1 3.86Å; L127-I146 HydrophobicContact CD1-CG1 3.9Å; L127-I146 HydrophobicContact CD2-CD1 4.05Å; L127-I146 HydrophobicContact CG-CD1 4.22Å; L127-L166 HydrophobicContact CD2-CB 4.13Å; L127-L166 HydrophobicContact CD2-CD1 4.11Å; L127-L166 HydrophobicContact CD2-CD2 3.9Å; L127-L166 HydrophobicContact CD2-CG 4.28Å; L127-A192 HydrophobicContact CD2-CB 4.25Å; L127-L195 HydrophobicContact CD1-CD1 4.43Å; L127-Y196 HydrophobicContact CD2-CE2 4.44Å
128T94.1Very high87.5Confident1 Ų159.3 Ų59.31%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-129.6132.5175.9-61.90000109.7P120 V121 V130 Y136 E143 K144 I145 I146P120-T128 HydrophobicContact CB-CG2 4.2Å; V121-T128 WeakPolarHBondContact O-CA 3.38Å; T128-V130 HydrophobicContact CG2-CG2 3.95Å; T128-Y136 HydrophobicContact CG2-CD1 4.44Å; T128-Y136 HydrophobicContact CG2-CE1 3.89Å; T128-Y136 HydrophobicContact CG2-CE2 4.31Å; T128-E143 WeakPolarHBondContact CB-OE1 3.27Å; T128-E143 PolarHBondContact OG1-OE1 3.46Å; T128-K144 PolarHBondContact N-O 2.85Å; T128-I145 WeakPolarHBondContact O-CA 3.32Å; T128-I146 PolarHBondContact O-N 3.49Å
129I91.2Very high88.8Confident2 Ų264 Ų641%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-95.6126.7174-64.2167.7000108.1P120 V121 V123 I146 L148 T156 G157 L166 V188P120-I129 CarbonylContact C-O 3.54Å; P120-I129 VanDerWaalsContact CA-O 3.28Å; P120-I129 WeakPolarHBondContact CA-O 3.26Å; V121-I129 PolarHBondContact N-O 3.11Å; V121-I129 PolarHBondContact O-N 3.14Å; V123-I129 HydrophobicContact CG2-CD1 3.69Å; V123-I129 HydrophobicContact CG2-CG1 4.02Å; I129-I146 CarbonylContact C-O 3.59Å; I129-I146 WeakPolarHBondContact CA-O 3.36Å; I129-I146 HydrophobicContact CG1-CB 4.15Å; I129-I146 HydrophobicContact CG1-CD1 4.26Å; I129-L148 HydrophobicContact CG2-CD1 3.64Å; I129-L148 HydrophobicContact CG2-CG 4.06Å; I129-T156 WeakPolarHBondContact CG2-O 3.44Å; I129-G157 VanDerWaalsContact CD1-CA 3.45Å; I129-L166 HydrophobicContact CD1-CD1 3.7Å; I129-V188 HydrophobicContact CD1-CG2 3.7Å; I129-V188 HydrophobicContact CG1-CG2 4.34Å
130V91.4Very high89.8Confident5 Ų563.8 Ų63.83%0.0330%0.295CS..EExtended strand (participates in β ladder)trans-122.9131.2-173.1178.90000109.2P120 T128 Y136 I145 I146 T147 L148P120-V130 HydrophobicContact CB-CG2 4.26Å; P120-V130 HydrophobicContact CG-CG1 4.37Å; P120-V130 HydrophobicContact CG-CG2 4.4Å; T128-V130 HydrophobicContact CG2-CG2 3.95Å; V130-Y136 HydrophobicContact CG2-CD1 3.67Å; V130-Y136 HydrophobicContact CG2-CE1 4.44Å; V130-Y136 HydrophobicContact CG2-CG 3.7Å; V130-I145 HydrophobicContact CB-CG2 4Å; V130-I145 HydrophobicContact CG2-CG2 3.6Å; V130-I146 PolarHBondContact N-O 3.42Å; V130-T147 CarbonylContact O-C 3.51Å; V130-T147 VanDerWaalsContact O-CA 3.28Å; V130-T147 WeakPolarHBondContact O-CA 3.47Å; V130-L148 PolarHBondContact O-N 3.4Å
131P86.4Confident90.1Very high0 Ų071.5 Ų71.50%033%0.328CS..EExtended strand (participates in β ladder)trans-65.4141171.7-8.218.2000112.4Y118 W133 E134 L148Y118-P131 HydrophobicContact CD1-CB 3.63Å; Y118-P131 HydrophobicContact CD1-CG 3.43Å; Y118-P131 VanDerWaalsContact CD1-CG 3.43Å; Y118-P131 HydrophobicContact CE1-CB 3.95Å; Y118-P131 HydrophobicContact CE1-CG 3.8Å; Y118-P131 WeakPolarHBondContact O-CG 3.4Å; P131-W133 HydrophobicContact CB-CD2 3.91Å; P131-W133 VanDerWaalsContact CB-CE2 3.45Å; P131-W133 HydrophobicContact CB-CE3 4.28Å; P131-W133 HydrophobicContact CB-CG 4.5Å; P131-W133 HydrophobicContact CB-CH2 3.69Å; P131-W133 HydrophobicContact CB-CZ2 3.39Å; P131-W133 HydrophobicContact CB-CZ3 4.18Å; P131-W133 HydrophobicContact CG-CZ2 4.28Å; P131-W133 PolarHBondContact O-N 3.32Å; P131-E134 HydrophobicContact CB-CB 4.43Å; P131-E134 HydrophobicContact CB-CG 4.25Å; P131-E134 HydrophobicContact CG-CB 4.22Å; P131-E134 HydrophobicContact CG-CG 3.98Å; P131-E134 PolarHBondContact O-N 2.93Å; P131-L148 CarbonylContact C-O 3.44Å; P131-L148 WeakPolarHBondContact CA-O 3.42Å
132S87.5Confident90.5Very high46 Ų4675.1 Ų75.132%0.32235%0.346SS..THydrogen-bonded Turntrans-59.3-19.7-177.168.70000115.1L148 D149S132-L148 PolarHBondContact N-O 3.32Å; S132-D149 PolarHBondContact OG-OD2 2.82Å
133W82.4Confident90.7Very high76 Ų7670 Ų7029%0.28833%0.327SS..THydrogen-bonded Turntrans-95.9-8.7177.255.585.7000114.4W114 K115 Y118 P131 P150W114-W133 HydrophobicContact CE3-CH2 4.14Å; W114-W133 HydrophobicContact CE3-CZ2 4.17Å; W114-W133 AromaticContact CH2-CH2 3.01Å; W114-W133 HydrophobicContact CH2-CH2 3.01Å; W114-W133 AromaticContact CH2-CZ2 3.84Å; W114-W133 HydrophobicContact CH2-CZ2 3.84Å; W114-W133 AromaticContact CH2-CZ3 3.55Å; W114-W133 HydrophobicContact CH2-CZ3 3.55Å; W114-W133 HydrophobicContact CZ2-CH2 4.01Å; W114-W133 HydrophobicContact CZ2-CZ3 4.28Å; W114-W133 AromaticContact CZ3-CH2 3.09Å; W114-W133 HydrophobicContact CZ3-CH2 3.09Å; W114-W133 AromaticContact CZ3-CZ2 3.5Å; W114-W133 HydrophobicContact CZ3-CZ2 3.5Å; W114-W133 VanDerWaalsContact CZ3-CZ2 3.5Å; W114-W133 HydrophobicContact CZ3-CZ3 4.1Å; K115-W133 HydrophobicContact CB-CD2 4.12Å; K115-W133 HydrophobicContact CB-CZ2 3.82Å; K115-W133 HydrophobicContact CD-CD2 3.66Å; K115-W133 HydrophobicContact CD-CE3 3.73Å; K115-W133 HydrophobicContact CD-CG 4.17Å; K115-W133 HydrophobicContact CD-CH2 4.49Å; K115-W133 HydrophobicContact CD-CZ2 4.33Å; K115-W133 HydrophobicContact CD-CZ3 4.17Å; K115-W133 HydrophobicContact CG-CD2 3.94Å; K115-W133 HydrophobicContact CG-CE3 4.17Å; K115-W133 HydrophobicContact CG-CH2 4.07Å; K115-W133 HydrophobicContact CG-CZ2 3.71Å; K115-W133 HydrophobicContact CG-CZ3 4.24Å; K115-W133 PolarHBondContact O-NE1 3.28Å; Y118-W133 AromaticContact CD1-CH2 3.87Å; Y118-W133 HydrophobicContact CD1-CH2 3.87Å; Y118-W133 AromaticContact CD1-CZ2 3.63Å; Y118-W133 HydrophobicContact CD1-CZ2 3.63Å; Y118-W133 HydrophobicContact CE1-CH2 4.45Å; Y118-W133 HydrophobicContact CG-CZ2 4.18Å; P131-W133 HydrophobicContact CB-CD2 3.91Å; P131-W133 VanDerWaalsContact CB-CE2 3.45Å; P131-W133 HydrophobicContact CB-CE3 4.28Å; P131-W133 HydrophobicContact CB-CG 4.5Å; P131-W133 HydrophobicContact CB-CH2 3.69Å; P131-W133 HydrophobicContact CB-CZ2 3.39Å; P131-W133 HydrophobicContact CB-CZ3 4.18Å; P131-W133 HydrophobicContact CG-CZ2 4.28Å; P131-W133 PolarHBondContact O-N 3.32Å; W133-P150 HydrophobicContact CH2-CG 4.2Å
134E83.9Confident90.9Very high55 Ų5572.4 Ų72.426%0.25734%0.337SS..SBendtrans-95.9145.1178-67.7-147.6176.200111.8H119 P120 P131H119-E134 IonicContact CE1-OE1 3.68Å; H119-E134 PolarHBondContact CE1-OE1 3.06Å; H119-E134 IonicContact CG-OE1 2.7Å; H119-E134 IonicContact ND1-OE1 3.08Å; H119-E134 PolarHBondContact ND1-OE1 2.85Å; H119-E134 IonicContact ND1-OE2 3.85Å; P120-E134 WeakPolarHBondContact CD-OE2 3.49Å; P131-E134 HydrophobicContact CB-CB 4.43Å; P131-E134 HydrophobicContact CB-CG 4.25Å; P131-E134 HydrophobicContact CG-CB 4.22Å; P131-E134 HydrophobicContact CG-CG 3.98Å; P131-E134 PolarHBondContact O-N 2.93Å
135K85.2Confident91.1Very high214 Ų21474.1 Ų74.193%0.9335%0.345SS*.  trans-92.7119.3171-69.1-174.4178.9-177.30108.2
136Y91.5Very high91.3Very high57 Ų5765.7 Ų65.722%0.22431%0.313CS..  trans-126.5132.4174.8-177.1-98.2000109.4P120 R122 T128 V130 E143 I145P120-Y136 HydrophobicContact CB-CD2 3.72Å; P120-Y136 HydrophobicContact CB-CE2 4.05Å; P120-Y136 HydrophobicContact CB-CG 4.36Å; P120-Y136 HydrophobicContact CG-CD2 3.69Å; P120-Y136 HydrophobicContact CG-CE2 4.47Å; P120-Y136 HydrophobicContact CG-CG 4.21Å; R122-Y136 PolarHBondContact NH2-OH 2.71Å; T128-Y136 HydrophobicContact CG2-CD1 4.44Å; T128-Y136 HydrophobicContact CG2-CE1 3.89Å; T128-Y136 HydrophobicContact CG2-CE2 4.31Å; V130-Y136 HydrophobicContact CG2-CD1 3.67Å; V130-Y136 HydrophobicContact CG2-CE1 4.44Å; V130-Y136 HydrophobicContact CG2-CG 3.7Å; Y136-E143 PolarHBondContact OH-OE1 3.05Å; Y136-I145 HydrophobicContact CD1-CD1 3.77Å; Y136-I145 HydrophobicContact CD1-CG1 4.1Å; Y136-I145 HydrophobicContact CE1-CD1 4.12Å; Y136-I145 HydrophobicContact CE1-CG1 4.19Å
137E90.8Very high91.3Very high172 Ų17263.6 Ų63.680%0.80431%0.309SS*.  trans-104131.9172.3-68-174176.400108.7Q139E137-Q139 PolarHBondContact O-N 3.19Å
138A92.8Very high91Very high50 Ų5063.6 Ų63.641%0.41331%0.309SS..  trans-56.4130.5174.200000110.3H140 E143 I145A138-H140 VanDerWaalsContact C-N 3.27Å; A138-H140 PolarHBondContact O-N 2.89Å; A138-E143 WeakPolarHBondContact CA-OE2 3.35Å; A138-E143 HydrophobicContact CB-CB 4.19Å; A138-I145 HydrophobicContact CB-CD1 3.96Å
139Q91.4Very high90.4Very high120 Ų12066 Ų6656%0.56132%0.322SS*.SBendtrans-72-22.7178.3-64-78.1-25.500111.7E137 E143E137-Q139 PolarHBondContact O-N 3.19Å; Q139-E143 WeakPolarHBondContact CB-OE2 3.37Å; Q139-E143 PolarHBondContact N-OE2 3.11Å
140H93.5Very high88.9Confident63 Ų6366.3 Ų66.329%0.29232%0.324SS..SBendtrans-155.6161.1172.553.264.2000112.3R125 Y126 A138 D142 E143R125-H140 PolarHBondContact O-CE1 2.66Å; R125-H140 PolarHBondContact O-NE2 3Å; Y126-H140 AromaticContact CD1-CE1 3.85Å; A138-H140 VanDerWaalsContact C-N 3.27Å; A138-H140 PolarHBondContact O-N 2.89Å; H140-D142 PolarHBondContact O-N 2.99Å; H140-D142 VanDerWaalsContact O-N 3.14Å; H140-E143 PolarHBondContact ND1-N 3.26Å; H140-E143 VanDerWaalsContact ND1-N 3.15Å; H140-E143 WeakPolarHBondContact O-CB 3.41Å; H140-E143 PolarHBondContact O-N 3.26Å
141E93.1Very high87.6Confident202 Ų20267.7 Ų67.794%0.94434%0.339SS*.THydrogen-bonded Turntrans-58.5-30.1-173.9-63.3-177.6172.200114.2E143E141-E143 VanDerWaalsContact C-N 3.32Å
142D93.3Very high85.9Confident110 Ų11072.6 Ų72.659%0.58836%0.363SS*.THydrogen-bonded Turntrans-84.7-1.8-179.7-60.6-41.9000113.7Y126 H140 K144Y126-D142 HydrophobicContact CD1-CB 3.74Å; Y126-D142 HydrophobicContact CE1-CB 3.82Å; H140-D142 PolarHBondContact O-N 2.99Å; H140-D142 VanDerWaalsContact O-N 3.14Å; D142-K144 PolarHBondContact O-N 3.08Å
143E95.4Very high84Confident14 Ų1471.1 Ų71.17%0.06535%0.353CS..  trans-77.5123.5-179.8-175.3173.1-163.500110.4R122 T128 Y136 A138 Q139 H140 E141R122-E143 IonicContact CZ-OE1 3.68Å; R122-E143 IonicContact NE-OE1 2.89Å; R122-E143 VanDerWaalsContact NH2-CD 3.27Å; R122-E143 IonicContact NH2-OE1 3.56Å; R122-E143 PolarHBondContact NH2-OE1 3.16Å; R122-E143 IonicContact NH2-OE2 3.42Å; R122-E143 PolarHBondContact NH2-OE2 2.95Å; T128-E143 WeakPolarHBondContact CB-OE1 3.27Å; T128-E143 PolarHBondContact OG1-OE1 3.46Å; Y136-E143 PolarHBondContact OH-OE1 3.05Å; A138-E143 WeakPolarHBondContact CA-OE2 3.35Å; A138-E143 HydrophobicContact CB-CB 4.19Å; Q139-E143 WeakPolarHBondContact CB-OE2 3.37Å; Q139-E143 PolarHBondContact N-OE2 3.11Å; H140-E143 PolarHBondContact ND1-N 3.26Å; H140-E143 VanDerWaalsContact ND1-N 3.15Å; H140-E143 WeakPolarHBondContact O-CB 3.41Å; H140-E143 PolarHBondContact O-N 3.26Å; E141-E143 VanDerWaalsContact C-N 3.32Å
144K95.1Very high82.7Confident62 Ų6273 Ų7327%0.2736%0.364SS..EExtended strand (participates in β ladder)trans-93.2131.4175.5-49.2-164.2-170.270.30109.1Y126 L127 T128 D142 L195 Y196Y126-K144 WeakPolarHBondContact O-CB 3.32Å; Y126-K144 PolarHBondContact O-N 3.15Å; L127-K144 WeakPolarHBondContact CA-O 3.44Å; L127-K144 HydrophobicContact CD1-CB 3.88Å; T128-K144 PolarHBondContact N-O 2.85Å; D142-K144 PolarHBondContact O-N 3.08Å; K144-L195 HydrophobicContact CB-CB 4.39Å; K144-L195 HydrophobicContact CB-CD1 4.2Å; K144-L195 HydrophobicContact CD-CB 3.74Å; K144-L195 WeakPolarHBondContact CD-O 3.37Å; K144-L195 WeakPolarHBondContact CE-O 3.44Å; K144-Y196 HydrophobicContact CD-CD1 4.25Å; K144-Y196 HydrophobicContact CD-CE1 4.39Å
145I95.1Very high81.2Confident50 Ų5070.7 Ų70.726%0.25636%0.355SS..EExtended strand (participates in β ladder)trans-111124-178.2-64.5167000108.5T128 V130 Y136 A138T128-I145 WeakPolarHBondContact O-CA 3.32Å; V130-I145 HydrophobicContact CB-CG2 4Å; V130-I145 HydrophobicContact CG2-CG2 3.6Å; Y136-I145 HydrophobicContact CD1-CD1 3.77Å; Y136-I145 HydrophobicContact CD1-CG1 4.1Å; Y136-I145 HydrophobicContact CE1-CD1 4.12Å; Y136-I145 HydrophobicContact CE1-CG1 4.19Å; A138-I145 HydrophobicContact CB-CD1 3.96Å
146I94.6Very high79.9Confident0 Ų062 Ų620%032%0.32CS..EExtended strand (participates in β ladder)trans-98.9116.4168.6-58.9179.4000107.5L127 T128 I129 V130 L148 V188 I191 A192 L195L127-I146 HydrophobicContact CD1-CD1 3.86Å; L127-I146 HydrophobicContact CD1-CG1 3.9Å; L127-I146 HydrophobicContact CD2-CD1 4.05Å; L127-I146 HydrophobicContact CG-CD1 4.22Å; T128-I146 PolarHBondContact O-N 3.49Å; I129-I146 CarbonylContact C-O 3.59Å; I129-I146 WeakPolarHBondContact CA-O 3.36Å; I129-I146 HydrophobicContact CG1-CB 4.15Å; I129-I146 HydrophobicContact CG1-CD1 4.26Å; V130-I146 PolarHBondContact N-O 3.42Å; I146-L148 HydrophobicContact CG2-CD1 4.4Å; I146-L148 HydrophobicContact CG2-CD2 3.68Å; I146-L148 HydrophobicContact CG2-CG 3.79Å; I146-V188 HydrophobicContact CD1-CG2 4.12Å; I146-V188 HydrophobicContact CG2-CG2 4.45Å; I146-I191 HydrophobicContact CB-CG2 4.45Å; I146-I191 HydrophobicContact CG1-CG2 4.1Å; I146-I191 HydrophobicContact CG2-CB 4.25Å; I146-I191 HydrophobicContact CG2-CD1 4.28Å; I146-I191 HydrophobicContact CG2-CG2 3.87Å; I146-A192 HydrophobicContact CD1-CB 3.77Å; I146-L195 HydrophobicContact CD1-CD1 4.48Å; I146-L195 HydrophobicContact CG1-CD1 3.59Å
147T93.8Very high78.3Confident37 Ų3759.3 Ų59.323%0.22731%0.309CS..EExtended strand (participates in β ladder)trans-89.5122.1171.9-540000109.5V130 L220 N221V130-T147 CarbonylContact O-C 3.51Å; V130-T147 VanDerWaalsContact O-CA 3.28Å; V130-T147 WeakPolarHBondContact O-CA 3.47Å; T147-L220 HydrophobicContact CG2-CB 4.45Å; T147-N221 PolarHBondContact N-OD1 3.1Å; T147-N221 PolarHBondContact O-ND2 2.81Å
148L88.2Confident77.1Confident0 Ų054.7 Ų54.70%029%0.293CS..EExtended strand (participates in β ladder)trans-122143.8176.4-61.5180000111I129 V130 P131 S132 I146 P150 V188 I191 N217I129-L148 HydrophobicContact CG2-CD1 3.64Å; I129-L148 HydrophobicContact CG2-CG 4.06Å; V130-L148 PolarHBondContact O-N 3.4Å; P131-L148 CarbonylContact C-O 3.44Å; P131-L148 WeakPolarHBondContact CA-O 3.42Å; S132-L148 PolarHBondContact N-O 3.32Å; I146-L148 HydrophobicContact CG2-CD1 4.4Å; I146-L148 HydrophobicContact CG2-CD2 3.68Å; I146-L148 HydrophobicContact CG2-CG 3.79Å; L148-P150 WeakPolarHBondContact O-CD 3.43Å; L148-V188 HydrophobicContact CD1-CB 4Å; L148-V188 HydrophobicContact CD1-CG2 3.91Å; L148-I191 HydrophobicContact CD2-CD1 3.83Å; L148-N217 HydrophobicContact CD2-CB 3.8Å
149D81.9Confident76.3Confident52 Ų5254.4 Ų54.428%0.27828%0.283SS..  trans-104.596.8153.8-162.1-27.6000108S132 G151 N217 L220S132-D149 PolarHBondContact OG-OD2 2.82Å; D149-G151 PolarHBondContact O-N 2.85Å; D149-G151 PolarHBondContact OD1-N 3.21Å; D149-N217 PolarHBondContact N-OD1 3.17Å; D149-N217 PolarHBondContact O-OD1 3.24Å; D149-L220 HydrophobicContact CB-CD1 3.94Å
150P60.3Low75.9Confident8 Ų849.1 Ų49.15%0.05226%0.259CS..  trans-48.5-27.5179.4-32.533.1000115.2W114 Y118 W133 L148 M152 A153 T156W114-P150 HydrophobicContact CH2-CB 3.49Å; W114-P150 VanDerWaalsContact CH2-CB 3.49Å; W114-P150 HydrophobicContact CH2-CG 3.61Å; W114-P150 HydrophobicContact CZ2-CB 4.43Å; W114-P150 HydrophobicContact CZ3-CB 3.71Å; W114-P150 HydrophobicContact CZ3-CG 3.6Å; Y118-P150 HydrophobicContact CD1-CG 4.06Å; Y118-P150 HydrophobicContact CE1-CG 3.45Å; Y118-P150 VanDerWaalsContact CE1-CG 3.45Å; Y118-P150 HydrophobicContact CE2-CG 4.12Å; Y118-P150 VanDerWaalsContact CZ-CG 3.45Å; W133-P150 HydrophobicContact CH2-CG 4.2Å; L148-P150 WeakPolarHBondContact O-CD 3.43Å; P150-M152 PolarHBondContact O-N 3.11Å; P150-A153 PolarHBondContact O-N 3.2Å; P150-T156 HydrophobicContact CB-CG2 3.82Å; P150-T156 HydrophobicContact CG-CG2 4.05Å
151G63.5Low75.5Confident33 Ų3346.3 Ų46.334%0.3425%0.246SC..THydrogen-bonded Turntrans42.6-118.6179.100000112.3D149D149-G151 PolarHBondContact O-N 2.85Å; D149-G151 PolarHBondContact OD1-N 3.21Å
152M50.3Low75.2Confident103 Ų10336.7 Ų36.751%0.50720%0.201SC..THydrogen-bonded Turntrans-1095.3174.6-73178.546.900114W3 W110 P150W3-M152 HydrophobicContact CH2-CE 4.29Å; W3-M152 HydrophobicContact CZ2-CE 4.42Å; W3-M152 HydrophobicContact CZ2-SD 4.24Å; W110-M152 HydrophobicContact CH2-CG 4.1Å; W110-M152 HydrophobicContact CZ3-CG 4.24Å; P150-M152 PolarHBondContact O-N 3.11Å
153A48.4Very low75.1Confident15 Ų1532.1 Ų32.112%0.12418%0.177CC..  trans-99.3146.1-171.200000113P150 S213P150-A153 PolarHBondContact O-N 3.2Å; A153-S213 WeakPolarHBondContact CB-OG 3.19Å
154F53.5Low75.1Confident116 Ų11631.6 Ų31.651%0.50917%0.174SC..SBendtrans-69.3151.8172.3-170-95.8000110.9H159 S186F154-H159 HydrophobicContact CZ-CB 4.3Å; F154-H159 AromaticContact CZ-CG 3.98Å; F154-S186 VanDerWaalsContact O-CB 3.29Å; F154-S186 WeakPolarHBondContact O-CB 3.39Å; F154-S186 PolarHBondContact O-N 3.2Å; F154-S186 PolarHBondContact O-OG 3.44Å
155G53.1Low75.1Confident6 Ų628.7 Ų28.76%0.06216%0.162CC..  trans105.745.6178.800000113.9G157 S186G155-G157 VanDerWaalsContact C-N 3.31Å; G155-S186 WeakPolarHBondContact CA-OG 3.45Å; G155-S186 PolarHBondContact O-OG 3.16Å
156T57.6Low75.2Confident32 Ų3226.3 Ų26.320%0.19615%0.149CC..  trans-73.6-18.7176.350.40000114.3Y118 I129 P150 T158Y118-T156 HydrophobicContact CE2-CG2 3.77Å; Y118-T156 VanDerWaalsContact OH-C 3.26Å; Y118-T156 WeakPolarHBondContact OH-CA 3.43Å; Y118-T156 WeakPolarHBondContact OH-CB 3.41Å; Y118-T156 PolarHBondContact OH-O 3.12Å; I129-T156 WeakPolarHBondContact CG2-O 3.44Å; P150-T156 HydrophobicContact CB-CG2 3.82Å; P150-T156 HydrophobicContact CG-CG2 4.05Å; T156-T158 PolarHBondContact OG1-OG1 2.98Å
157G58Low75.2Confident0 Ų029.2 Ų29.20%016%0.163CC..SBendtrans92.1-13.4-17500000115.1I129 G155 N163I129-G157 VanDerWaalsContact CD1-CA 3.45Å; G155-G157 VanDerWaalsContact C-N 3.31Å; G157-N163 VanDerWaalsContact O-CG 3.3Å; G157-N163 PolarHBondContact O-ND2 3.38Å; G157-N163 PolarHBondContact O-OD1 2.96Å; G157-N163 VanDerWaalsContact O-OD1 3.12Å
158T66.2Low75.4Confident76 Ų7627.4 Ų27.447%0.46615%0.152SC..  trans-76.7-26.2173.9510000112.6Y118 V121 T156 N163Y118-T158 HydrophobicContact CE2-CG2 4.43Å; V121-T158 HydrophobicContact CG2-CG2 3.65Å; T156-T158 PolarHBondContact OG1-OG1 2.98Å; T158-N163 PolarHBondContact O-ND2 3.3Å
159H75.7Confident75.8Confident44 Ų4427.4 Ų27.420%0.20415%0.152CC..SBendtrans-70.1138.1-177-162.6-96.4000111.7F154 T161 T162 N163 W304F154-H159 HydrophobicContact CZ-CB 4.3Å; F154-H159 AromaticContact CZ-CG 3.98Å; H159-T161 PolarHBondContact ND1-N 3.47Å; H159-T161 PolarHBondContact ND1-OG1 2.87Å; H159-T161 PolarHBondContact O-N 2.88Å; H159-T162 PolarHBondContact O-N 3.43Å; H159-T162 VanDerWaalsContact O-N 3.11Å; H159-N163 PolarHBondContact O-N 3.36Å; H159-N163 VanDerWaalsContact O-N 3.13Å; H159-N163 PolarHBondContact O-ND2 3.25Å; H159-W304 AromaticContact CE1-CE2 3.75Å; H159-W304 AromaticContact CE1-CZ2 3.88Å; H159-W304 AromaticContact CE1-NE1 3.97Å
160P82.7Confident76.5Confident9 Ų927.5 Ų27.56%0.05815%0.151CC..Hα-helixtrans-50.9-41.8178.6-30.236.2000113.3T162 N163 L164 Q301 K302 W304P160-T162 PolarHBondContact O-N 3.13Å; P160-N163 PolarHBondContact O-N 3.13Å; P160-L164 WeakPolarHBondContact O-CB 3.23Å; P160-L164 WeakPolarHBondContact O-CG 3.28Å; P160-L164 PolarHBondContact O-N 3.24Å; P160-Q301 HydrophobicContact CB-CB 4.28Å; P160-Q301 HydrophobicContact CB-CG 4.08Å; P160-K302 HydrophobicContact CG-CD 4.42Å; P160-W304 HydrophobicContact CB-CB 4.26Å; P160-W304 HydrophobicContact CB-CG 4.25Å
161T85.4Confident78.2Confident3 Ų329.2 Ų29.22%0.01816%0.161CC..Hα-helixtrans-65.4-37.4-177.865.40000112.7H159 T165 N248 S274 W304H159-T161 PolarHBondContact ND1-N 3.47Å; H159-T161 PolarHBondContact ND1-OG1 2.87Å; H159-T161 PolarHBondContact O-N 2.88Å; T161-T165 WeakPolarHBondContact O-CB 3.42Å; T161-T165 PolarHBondContact O-N 3.25Å; T161-T165 PolarHBondContact O-OG1 2.65Å; T161-N248 WeakPolarHBondContact CB-OD1 3.45Å; T161-N248 PolarHBondContact OG1-ND2 2.79Å; T161-N248 PolarHBondContact OG1-OD1 2.87Å; T161-N248 VanDerWaalsContact OG1-OD1 3.1Å; T161-S274 WeakPolarHBondContact CB-OG 3.35Å; T161-S274 PolarHBondContact O-OG 2.66Å; T161-S274 VanDerWaalsContact O-OG 3.13Å; T161-W304 HydrophobicContact CG2-CB 3.87Å; T161-W304 HydrophobicContact CG2-CD2 3.47Å; T161-W304 VanDerWaalsContact CG2-CD2 3.47Å; T161-W304 HydrophobicContact CG2-CE3 3.29Å; T161-W304 HydrophobicContact CG2-CG 3.73Å; T161-W304 HydrophobicContact CG2-CZ3 3.97Å
162T88.1Confident79.8Confident0 Ų028.7 Ų28.70%015%0.152CC..Hα-helixtrans-66.6-46.8174.2-53.10000110.6H159 P160 L164 T165 L166 V188H159-T162 PolarHBondContact O-N 3.43Å; H159-T162 VanDerWaalsContact O-N 3.11Å; P160-T162 PolarHBondContact O-N 3.13Å; T162-L164 PolarHBondContact O-N 2.96Å; T162-T165 PolarHBondContact O-N 3.3Å; T162-L166 HydrophobicContact CG2-CD1 3.84Å; T162-L166 HydrophobicContact CG2-CG 4.33Å; T162-L166 WeakPolarHBondContact O-CB 3.27Å; T162-L166 VanDerWaalsContact O-CG 3.27Å; T162-L166 WeakPolarHBondContact O-CG 3.37Å; T162-L166 PolarHBondContact O-N 2.98Å; T162-V188 HydrophobicContact CG2-CG1 3.83Å; T162-V188 HydrophobicContact CG2-CG2 4.49Å
163N91.1Very high82.1Confident15 Ų1524.2 Ų24.28%0.0813%0.13CC..Hα-helixtrans-56.9-48.9176.6-77.7-53.2000112.3V123 G157 T158 H159 P160 T165 L166 Q167V123-N163 HydrophobicContact CG1-CB 4.45Å; V123-N163 WeakPolarHBondContact CG1-OD1 3.22Å; V123-N163 WeakPolarHBondContact CG2-OD1 3.36Å; G157-N163 VanDerWaalsContact O-CG 3.3Å; G157-N163 PolarHBondContact O-ND2 3.38Å; G157-N163 PolarHBondContact O-OD1 2.96Å; G157-N163 VanDerWaalsContact O-OD1 3.12Å; T158-N163 PolarHBondContact O-ND2 3.3Å; H159-N163 PolarHBondContact O-N 3.36Å; H159-N163 VanDerWaalsContact O-N 3.13Å; H159-N163 PolarHBondContact O-ND2 3.25Å; P160-N163 PolarHBondContact O-N 3.13Å; N163-T165 VanDerWaalsContact C-N 3.34Å; N163-T165 PolarHBondContact O-N 3.03Å; N163-L166 PolarHBondContact O-N 2.92Å; N163-Q167 WeakPolarHBondContact O-CB 3.28Å; N163-Q167 VanDerWaalsContact O-CG 3.29Å; N163-Q167 WeakPolarHBondContact O-CG 3.4Å; N163-Q167 PolarHBondContact O-N 3.33Å
164L94.1Very high84.3Confident3 Ų332 Ų322%0.01616%0.156CC..Hα-helixtrans-60.8-42.1178.4-71.3178.1000112.1P160 T162 Q167 A168 F299 Q301 W304 A306P160-L164 WeakPolarHBondContact O-CB 3.23Å; P160-L164 WeakPolarHBondContact O-CG 3.28Å; P160-L164 PolarHBondContact O-N 3.24Å; T162-L164 PolarHBondContact O-N 2.96Å; L164-Q167 PolarHBondContact O-N 3.49Å; L164-A168 WeakPolarHBondContact O-CB 3.34Å; L164-A168 PolarHBondContact O-N 3.06Å; L164-F299 HydrophobicContact CD2-CB 3.73Å; L164-Q301 HydrophobicContact CD1-CB 3.89Å; L164-Q301 HydrophobicContact CD2-CB 3.67Å; L164-Q301 HydrophobicContact CG-CB 3.81Å; L164-W304 HydrophobicContact CD1-CB 4.22Å; L164-W304 WeakPolarHBondContact CD1-O 3.19Å; L164-A306 HydrophobicContact CB-CB 3.64Å; L164-A306 HydrophobicContact CD1-CB 4.49Å
165T96.1Very high86.4Confident0 Ų028.3 Ų28.30%015%0.15CC..Hα-helixtrans-69.4-40.4-179.7-48.30000111.8T161 T162 N163 A168 L169 L189 V246 I272 S274T161-T165 WeakPolarHBondContact O-CB 3.42Å; T161-T165 PolarHBondContact O-N 3.25Å; T161-T165 PolarHBondContact O-OG1 2.65Å; T162-T165 PolarHBondContact O-N 3.3Å; N163-T165 VanDerWaalsContact C-N 3.34Å; N163-T165 PolarHBondContact O-N 3.03Å; T165-A168 WeakPolarHBondContact O-CB 3.39Å; T165-A168 PolarHBondContact O-N 2.87Å; T165-L169 WeakPolarHBondContact O-CG 3.36Å; T165-L169 PolarHBondContact O-N 2.89Å; T165-L189 HydrophobicContact CG2-CD1 3.64Å; T165-L189 HydrophobicContact CG2-CD2 3.88Å; T165-L189 HydrophobicContact CG2-CG 4.41Å; T165-V246 HydrophobicContact CG2-CG2 3.37Å; T165-I272 HydrophobicContact CG2-CG2 4.17Å; T165-S274 WeakPolarHBondContact OG1-CB 3.14Å; T165-S274 PolarHBondContact OG1-OG 3.11Å
166L95.9Very high88.5Confident0 Ų030.2 Ų30.20%017%0.169CC..Hα-helixtrans-64.4-40.9175.5-71.9172.4000111.7V123 L127 I129 T162 N163 A168 L169 E170 V188 L189 A192V123-L166 HydrophobicContact CB-CD1 4.44Å; V123-L166 HydrophobicContact CG1-CB 3.72Å; V123-L166 HydrophobicContact CG1-CD1 3.88Å; V123-L166 HydrophobicContact CG1-CG 4.47Å; V123-L166 HydrophobicContact CG2-CD1 4.01Å; L127-L166 HydrophobicContact CD2-CB 4.13Å; L127-L166 HydrophobicContact CD2-CD1 4.11Å; L127-L166 HydrophobicContact CD2-CD2 3.9Å; L127-L166 HydrophobicContact CD2-CG 4.28Å; I129-L166 HydrophobicContact CD1-CD1 3.7Å; T162-L166 HydrophobicContact CG2-CD1 3.84Å; T162-L166 HydrophobicContact CG2-CG 4.33Å; T162-L166 WeakPolarHBondContact O-CB 3.27Å; T162-L166 VanDerWaalsContact O-CG 3.27Å; T162-L166 WeakPolarHBondContact O-CG 3.37Å; T162-L166 PolarHBondContact O-N 2.98Å; N163-L166 PolarHBondContact O-N 2.92Å; L166-A168 VanDerWaalsContact C-N 3.34Å; L166-L169 PolarHBondContact O-N 3.13Å; L166-E170 PolarHBondContact O-N 2.84Å; L166-V188 HydrophobicContact CD1-CG2 4.27Å; L166-L189 HydrophobicContact CD2-CD2 3.64Å; L166-L189 HydrophobicContact CG-CD2 3.82Å; L166-A192 HydrophobicContact CD2-CB 3.26Å
167Q95.4Very high90.4Very high61 Ų6130 Ų3029%0.28517%0.166SC..Hα-helixtrans-61.5-42.5171.5-73.2172.138.500111.6T124 N163 L164 E170 T171T124-Q167 HydrophobicContact CG2-CG 3.83Å; N163-Q167 WeakPolarHBondContact O-CB 3.28Å; N163-Q167 VanDerWaalsContact O-CG 3.29Å; N163-Q167 WeakPolarHBondContact O-CG 3.4Å; N163-Q167 PolarHBondContact O-N 3.33Å; L164-Q167 PolarHBondContact O-N 3.49Å; Q167-E170 PolarHBondContact O-N 2.7Å; Q167-T171 WeakPolarHBondContact O-CG2 3.26Å; Q167-T171 PolarHBondContact O-N 3.14Å
168A97.4Very high92.4Very high0 Ų030.5 Ų30.50%017%0.17CC..Hα-helixtrans-61.5-47.4176.200000111.4L164 T165 L166 E170 T171 V172 I272 F299 I308L164-A168 WeakPolarHBondContact O-CB 3.34Å; L164-A168 PolarHBondContact O-N 3.06Å; T165-A168 WeakPolarHBondContact O-CB 3.39Å; T165-A168 PolarHBondContact O-N 2.87Å; L166-A168 VanDerWaalsContact C-N 3.34Å; A168-E170 VanDerWaalsContact C-N 3.34Å; A168-E170 PolarHBondContact O-N 2.58Å; A168-T171 CarbonylContact O-C 3.52Å; A168-T171 WeakPolarHBondContact O-CA 3.42Å; A168-T171 PolarHBondContact O-N 2.97Å; A168-T171 PolarHBondContact O-OG1 2.68Å; A168-V172 WeakPolarHBondContact O-CG2 3.47Å; A168-V172 PolarHBondContact O-N 2.66Å; A168-V172 VanDerWaalsContact O-N 3.07Å; A168-I272 HydrophobicContact CB-CD1 4.3Å; A168-I272 HydrophobicContact CB-CG2 3.68Å; A168-F299 HydrophobicContact CB-CD2 4.35Å; A168-F299 HydrophobicContact CB-CE2 3.96Å; A168-I308 HydrophobicContact CB-CD1 4.03Å; A168-I308 HydrophobicContact CB-CG1 4Å
169L97.7Very high93.9Very high0 Ų026.9 Ų26.90%015%0.147CC..Hα-helixtrans-57.8-43.4176.3-75.8167.5000112.2T165 L166 T171 V172 L173 L189 Y196 V246 I272T165-L169 WeakPolarHBondContact O-CG 3.36Å; T165-L169 PolarHBondContact O-N 2.89Å; L166-L169 PolarHBondContact O-N 3.13Å; L169-T171 PolarHBondContact O-N 3.19Å; L169-V172 PolarHBondContact O-N 2.85Å; L169-L173 HydrophobicContact CB-CD1 4.41Å; L169-L173 HydrophobicContact CD2-CD1 4.04Å; L169-L173 HydrophobicContact CD2-CG 4.41Å; L169-L173 PolarHBondContact O-N 3.31Å; L169-L189 HydrophobicContact CD1-CB 4.09Å; L169-L189 HydrophobicContact CD1-CD2 4.16Å; L169-Y196 HydrophobicContact CB-CD2 4.44Å; L169-Y196 HydrophobicContact CB-CE2 4.39Å; L169-V246 HydrophobicContact CD1-CG2 4.47Å; L169-V246 HydrophobicContact CD2-CB 4.38Å; L169-V246 HydrophobicContact CD2-CG1 4.49Å; L169-V246 HydrophobicContact CD2-CG2 4.44Å; L169-I272 HydrophobicContact CD2-CD1 3.78Å; L169-I272 HydrophobicContact CG-CD1 4.15Å
170E96.3Very high95Very high54 Ų5424.8 Ų24.825%0.25214%0.138SC..Hα-helixtrans-57.8-36175-171.3169.3-99.300112.1T124 L166 Q167 A168 Y196T124-E170 WeakPolarHBondContact CB-OE1 3.18Å; T124-E170 VanDerWaalsContact CB-OE2 3.31Å; T124-E170 WeakPolarHBondContact CB-OE2 3.32Å; T124-E170 WeakPolarHBondContact CG2-OE2 3.38Å; T124-E170 PolarHBondContact OG1-OE1 3.47Å; T124-E170 PolarHBondContact OG1-OE2 3.02Å; L166-E170 PolarHBondContact O-N 2.84Å; Q167-E170 PolarHBondContact O-N 2.7Å; A168-E170 VanDerWaalsContact C-N 3.34Å; A168-E170 PolarHBondContact O-N 2.58Å; E170-Y196 HydrophobicContact CB-CE1 4.13Å; E170-Y196 HydrophobicContact CB-CE2 4.14Å; E170-Y196 WeakPolarHBondContact CB-OH 3.36Å; E170-Y196 HydrophobicContact CG-CE1 3.87Å; E170-Y196 PolarHBondContact OE1-OH 3.4Å
171T96.4Very high95.8Very high43 Ų4324.4 Ų24.426%0.26414%0.135SC..Hα-helixtrans-80-17.4177.566.80000114.1Q167 A168 L169 R174 F299 I308Q167-T171 WeakPolarHBondContact O-CG2 3.26Å; Q167-T171 PolarHBondContact O-N 3.14Å; A168-T171 CarbonylContact O-C 3.52Å; A168-T171 WeakPolarHBondContact O-CA 3.42Å; A168-T171 PolarHBondContact O-N 2.97Å; A168-T171 PolarHBondContact O-OG1 2.68Å; L169-T171 PolarHBondContact O-N 3.19Å; T171-R174 VanDerWaalsContact C-NH1 3.32Å; T171-R174 VanDerWaalsContact O-CZ 3.23Å; T171-R174 PolarHBondContact O-NH1 3.33Å; T171-R174 PolarHBondContact O-NH2 2.89Å; T171-F299 HydrophobicContact CG2-CZ 4.21Å; T171-I308 WeakPolarHBondContact OG1-CD1 3.46Å
172V97.4Very high96.3Very high23 Ų2324.3 Ų24.314%0.13913%0.134CC..Hα-helixtrans-100.9-49-175171.30000112A168 L169 R174 V244 T270 I272 I308A168-V172 WeakPolarHBondContact O-CG2 3.47Å; A168-V172 PolarHBondContact O-N 2.66Å; A168-V172 VanDerWaalsContact O-N 3.07Å; L169-V172 PolarHBondContact O-N 2.85Å; V172-R174 PolarHBondContact O-NH1 3.22Å; V172-V244 HydrophobicContact CG1-CG1 4.33Å; V172-V244 HydrophobicContact CG1-CG2 3.77Å; V172-T270 HydrophobicContact CG1-CG2 3.82Å; V172-T270 HydrophobicContact CG2-CG2 3.93Å; V172-I272 HydrophobicContact CB-CD1 4.05Å; V172-I272 HydrophobicContact CG1-CD1 4.33Å; V172-I272 HydrophobicContact CG2-CD1 3.82Å; V172-I272 HydrophobicContact CG2-CG1 4.38Å; V172-I308 HydrophobicContact CG2-CD1 3.68Å; V172-I308 HydrophobicContact CG2-CG1 4.36Å; V172-I308 HydrophobicContact CG2-CG2 4.11Å
173L97.7Very high96.6Very high9 Ų925.4 Ų25.45%0.04715%0.146CC..  trans-71.2137-173.3-66173.2000111.9L169 E177 V179 Y196 V244L169-L173 HydrophobicContact CB-CD1 4.41Å; L169-L173 HydrophobicContact CD2-CD1 4.04Å; L169-L173 HydrophobicContact CD2-CG 4.41Å; L169-L173 PolarHBondContact O-N 3.31Å; L173-E177 HydrophobicContact CD2-CB 4.05Å; L173-E177 HydrophobicContact CD2-CG 4.15Å; L173-V179 HydrophobicContact CD2-CG2 3.9Å; L173-Y196 HydrophobicContact CD1-CD2 4.12Å; L173-Y196 HydrophobicContact CD1-CG 4.41Å; L173-V244 HydrophobicContact CD2-CG2 3.97Å
174R95.6Very high96.7Very high179 Ų17925 Ų2568%0.67514%0.144SC*.  trans-127.6-7.5179.8-61.4-62.3179.3-90.8-7.6112.9T171 V172 E177T171-R174 VanDerWaalsContact C-NH1 3.32Å; T171-R174 VanDerWaalsContact O-CZ 3.23Å; T171-R174 PolarHBondContact O-NH1 3.33Å; T171-R174 PolarHBondContact O-NH2 2.89Å; V172-R174 PolarHBondContact O-NH1 3.22Å; R174-E177 WeakPolarHBondContact CA-OE1 3.35Å; R174-E177 WeakPolarHBondContact CB-OE1 3.47Å; R174-E177 PolarHBondContact N-OE1 2.99Å
175G96Very high96.5Very high37 Ų3725.3 Ų25.338%0.38115%0.148SC..SBendtrans103137.3178.900000111.8E177 G197G175-E177 WeakPolarHBondContact CA-OE2 3.48Å; G175-E177 PolarHBondContact N-OE1 3.5Å; G175-E177 PolarHBondContact N-OE2 2.94Å; G175-G197 CarbonylContact C-O 3.6Å; G175-G197 VanDerWaalsContact CA-O 3.25Å; G175-G197 WeakPolarHBondContact CA-O 3.06Å
176G97.4Very high96.2Very high46 Ų4625.4 Ų25.447%0.47415%0.149SC..SBendtrans94.2-6.3179.500000115.4G197 K199G176-G197 PolarHBondContact N-O 3.21Å; G176-K199 VanDerWaalsContact O-CB 3.3Å; G176-K199 WeakPolarHBondContact O-CB 3.32Å
177E98.5Very high96.1Very high27 Ų2725.4 Ų25.413%0.12615%0.149CC..  trans-71.9146.5-178.4-62.288.9168.300113L173 R174 G175 V179 A198 K199 D243 V244L173-E177 HydrophobicContact CD2-CB 4.05Å; L173-E177 HydrophobicContact CD2-CG 4.15Å; R174-E177 WeakPolarHBondContact CA-OE1 3.35Å; R174-E177 WeakPolarHBondContact CB-OE1 3.47Å; R174-E177 PolarHBondContact N-OE1 2.99Å; G175-E177 WeakPolarHBondContact CA-OE2 3.48Å; G175-E177 PolarHBondContact N-OE1 3.5Å; G175-E177 PolarHBondContact N-OE2 2.94Å; E177-V179 HydrophobicContact CB-CG2 4.46Å; E177-A198 CarbonylContact O-C 3.55Å; E177-K199 PolarHBondContact O-N 2.68Å; E177-D243 HydrophobicContact CB-CB 3.93Å; E177-D243 HydrophobicContact CG-CB 4.06Å; E177-V244 HydrophobicContact CB-CG2 4.5Å; E177-V244 HydrophobicContact CG-CG2 4.44Å
178T98.6Very high96Very high12 Ų1222.7 Ų22.77%0.07414%0.137CC..EExtended strand (participates in β ladder)trans-87.1128.5160.7-61.80000109.4D200 Y202 A242 D243 V244T178-D200 CarbonylContact C-O 3.55Å; T178-D200 VanDerWaalsContact CA-O 3.31Å; T178-D200 WeakPolarHBondContact CA-O 3.19Å; T178-D200 HydrophobicContact CG2-CB 4.45Å; T178-Y202 HydrophobicContact CG2-CD2 4.23Å; T178-Y202 HydrophobicContact CG2-CE2 4Å; T178-A242 HydrophobicContact CG2-CB 4.2Å; T178-D243 PolarHBondContact N-OD2 3.04Å; T178-D243 PolarHBondContact O-N 2.92Å; T178-V244 PolarHBondContact O-N 3.49Å; T178-V244 VanDerWaalsContact O-N 3.15Å
179V98.8Very high95.9Very high0 Ų023 Ų230%014%0.138CC..EExtended strand (participates in β ladder)trans-118.1132.4-176.2-174.90000110.7L173 E177 A198 D200 I201 Y202 V244 V246L173-V179 HydrophobicContact CD2-CG2 3.9Å; E177-V179 HydrophobicContact CB-CG2 4.46Å; V179-A198 HydrophobicContact CG2-CB 3.7Å; V179-D200 PolarHBondContact N-O 3.36Å; V179-I201 HydrophobicContact CB-CG1 4.18Å; V179-I201 HydrophobicContact CB-CG2 4.31Å; V179-I201 CarbonylContact O-C 3.49Å; V179-I201 WeakPolarHBondContact O-CA 3.26Å; V179-Y202 PolarHBondContact O-N 3.01Å; V179-V244 CarbonylContact C-O 3.6Å; V179-V244 VanDerWaalsContact CA-O 3.26Å; V179-V244 WeakPolarHBondContact CA-O 3.22Å; V179-V244 HydrophobicContact CG2-CB 4.28Å; V179-V246 HydrophobicContact CG1-CG1 4.16Å
180L98.8Very high96Very high0 Ų023 Ų230%014%0.138CC..EExtended strand (participates in β ladder)trans-104123.5163.4-49.9-179.4000109Y202 Y204 L235 V238 A242 V244 I245 V246 L264L180-Y202 CarbonylContact C-O 3.42Å; L180-Y202 WeakPolarHBondContact CA-O 3.38Å; L180-Y202 HydrophobicContact CD2-CD2 3.82Å; L180-Y202 HydrophobicContact CD2-CG 4.14Å; L180-Y204 HydrophobicContact CD2-CE2 4.5Å; L180-L235 HydrophobicContact CB-CD2 4.47Å; L180-L235 HydrophobicContact CD1-CD2 3.84Å; L180-V238 HydrophobicContact CD1-CG1 4.32Å; L180-A242 HydrophobicContact CD1-CB 4.05Å; L180-A242 HydrophobicContact CD2-CB 4.26Å; L180-A242 HydrophobicContact CG-CB 3.62Å; L180-V244 PolarHBondContact N-O 2.83Å; L180-I245 HydrophobicContact CB-CG1 4.12Å; L180-I245 HydrophobicContact CB-CG2 4.39Å; L180-I245 HydrophobicContact CD1-CD1 3.99Å; L180-I245 HydrophobicContact CD1-CG1 4.04Å; L180-I245 HydrophobicContact CG-CG1 4.23Å; L180-I245 CarbonylContact O-C 3.53Å; L180-I245 WeakPolarHBondContact O-CA 3.35Å; L180-V246 PolarHBondContact O-N 3.29Å; L180-L264 HydrophobicContact CD1-CB 4.34Å; L180-L264 HydrophobicContact CD1-CD1 4.24Å
181D98.5Very high96Very high0 Ų020.4 Ų20.40%013%0.126CC..EExtended strand (participates in β ladder)trans-108.6109.1176.3-179.917.6000109.1T184 S190 Y202 A203 Y204 V246D181-T184 WeakPolarHBondContact OD2-CB 3.42Å; D181-T184 PolarHBondContact OD2-OG1 3.01Å; D181-S190 VanDerWaalsContact CB-OG 3.32Å; D181-S190 WeakPolarHBondContact CB-OG 3.4Å; D181-S190 PolarHBondContact OD2-N 3.3Å; D181-S190 PolarHBondContact OD2-OG 2.86Å; D181-Y202 PolarHBondContact N-O 2.96Å; D181-A203 HydrophobicContact CB-CB 4.45Å; D181-A203 WeakPolarHBondContact O-CA 3.39Å; D181-Y204 PolarHBondContact O-N 3.43Å; D181-V246 HydrophobicContact CB-CG1 3.92Å
182V97.6Very high96Very high1 Ų118.3 Ų18.31%0.00611%0.113CC..EExtended strand (participates in β ladder)trans-105.7121.5-171.9-173.30000110.4L234 L235 I245 V246 A247 M257V182-L234 HydrophobicContact CG1-CB 4.33Å; V182-L234 HydrophobicContact CG1-CD2 3.86Å; V182-L235 HydrophobicContact CG2-CD1 4.37Å; V182-L235 HydrophobicContact CG2-CD2 3.56Å; V182-L235 HydrophobicContact CG2-CG 3.9Å; V182-I245 HydrophobicContact CG2-CG2 4.32Å; V182-V246 PolarHBondContact N-O 2.79Å; V182-A247 HydrophobicContact CB-CB 4.21Å; V182-A247 WeakPolarHBondContact O-CA 3.43Å; V182-M257 HydrophobicContact CB-CE 3.96Å; V182-M257 HydrophobicContact CB-SD 4.27Å; V182-M257 HydrophobicContact CG1-CE 4Å; V182-M257 HydrophobicContact CG1-SD 3.85Å; V182-M257 HydrophobicContact CG2-CE 3.77Å
183G93.4Very high96.1Very high23 Ų2317.2 Ų17.224%0.23711%0.107CC..SBendtrans74.252-168.100000110.9G185 Y204G183-G185 PolarHBondContact O-N 3.41Å; G183-Y204 WeakPolarHBondContact CA-O 3.48Å; G183-Y204 PolarHBondContact N-O 3.46Å
184T93.4Very high96.1Very high6 Ų617.3 Ų17.34%0.03711%0.108CC..  trans-63.9-24.5-169.6-165.10000113.6D181 S186 G187 A203 Y204 D205 A214 V229D181-T184 WeakPolarHBondContact OD2-CB 3.42Å; D181-T184 PolarHBondContact OD2-OG1 3.01Å; T184-S186 PolarHBondContact O-N 3.36Å; T184-S186 VanDerWaalsContact O-N 3.08Å; T184-G187 PolarHBondContact O-N 3.19Å; T184-G187 WeakPolarHBondContact OG1-CA 3.46Å; T184-A203 HydrophobicContact CG2-CB 4.01Å; T184-Y204 PolarHBondContact N-O 3.25Å; T184-D205 HydrophobicContact CG2-CB 4.16Å; T184-D205 PolarHBondContact N-OD2 2.77Å; T184-A214 HydrophobicContact CG2-CB 3.93Å; T184-V229 HydrophobicContact CG2-CG1 4.49Å
185G89.7Confident96.1Very high11 Ų1111 Ų1111%0.1139%0.087CC..THydrogen-bonded Turntrans57.3-114.2177.900000112G183 G187 D205 A210G183-G185 PolarHBondContact O-N 3.41Å; G185-G187 PolarHBondContact O-N 3.15Å; G185-D205 PolarHBondContact N-OD2 2.98Å; G185-A210 VanDerWaalsContact O-O 3.09Å
186S89Confident96.2Very high1 Ų110.5 Ų10.51%0.0077%0.074CC..THydrogen-bonded Turntrans-71.1-8.8175.767.10000115F154 G155 T184 V188 A214 N217F154-S186 VanDerWaalsContact O-CB 3.29Å; F154-S186 WeakPolarHBondContact O-CB 3.39Å; F154-S186 PolarHBondContact O-N 3.2Å; F154-S186 PolarHBondContact O-OG 3.44Å; G155-S186 WeakPolarHBondContact CA-OG 3.45Å; G155-S186 PolarHBondContact O-OG 3.16Å; T184-S186 PolarHBondContact O-N 3.36Å; T184-S186 VanDerWaalsContact O-N 3.08Å; S186-V188 VanDerWaalsContact C-N 3.31Å; S186-V188 WeakPolarHBondContact OG-CB 3.35Å; S186-V188 WeakPolarHBondContact OG-CG1 3.42Å; S186-V188 PolarHBondContact OG-N 3.48Å; S186-A214 WeakPolarHBondContact O-CA 3.32Å; S186-N217 VanDerWaalsContact O-CB 3.3Å; S186-N217 WeakPolarHBondContact O-CB 3.17Å; S186-N217 PolarHBondContact O-ND2 2.95Å
187G93.8Very high96.1Very high1 Ų110 Ų101%0.017%0.069CC..SBendtrans82.82.5-173.600000114.6T184 G185 L189 S190 I191T184-G187 PolarHBondContact O-N 3.19Å; T184-G187 WeakPolarHBondContact OG1-CA 3.46Å; G185-G187 PolarHBondContact O-N 3.15Å; G187-L189 VanDerWaalsContact C-N 3.32Å; G187-L189 PolarHBondContact O-N 3.31Å; G187-S190 WeakPolarHBondContact O-CB 3.49Å; G187-S190 PolarHBondContact O-N 2.73Å; G187-S190 VanDerWaalsContact O-N 3.13Å; G187-I191 WeakPolarHBondContact O-CG1 3.49Å; G187-I191 PolarHBondContact O-N 2.96Å
188V93.9Very high96.1Very high4 Ų48.9 Ų8.92%0.0247%0.065CC..Hα-helixtrans-57.2-39.7-17363.60000113.6I129 I146 L148 T162 L166 S186 A192I129-V188 HydrophobicContact CD1-CG2 3.7Å; I129-V188 HydrophobicContact CG1-CG2 4.34Å; I146-V188 HydrophobicContact CD1-CG2 4.12Å; I146-V188 HydrophobicContact CG2-CG2 4.45Å; L148-V188 HydrophobicContact CD1-CB 4Å; L148-V188 HydrophobicContact CD1-CG2 3.91Å; T162-V188 HydrophobicContact CG2-CG1 3.83Å; T162-V188 HydrophobicContact CG2-CG2 4.49Å; L166-V188 HydrophobicContact CD1-CG2 4.27Å; S186-V188 VanDerWaalsContact C-N 3.31Å; S186-V188 WeakPolarHBondContact OG-CB 3.35Å; S186-V188 WeakPolarHBondContact OG-CG1 3.42Å; S186-V188 PolarHBondContact OG-N 3.48Å; V188-A192 WeakPolarHBondContact O-CB 3.42Å; V188-A192 PolarHBondContact O-N 2.81Å
189L96.5Very high96.1Very high5 Ų514.4 Ų14.43%0.0269%0.088CC..Hα-helixtrans-71.9-37.6-180-56.8-175.5000111.6T165 L166 L169 G187 A192 S193 V246 N248T165-L189 HydrophobicContact CG2-CD1 3.64Å; T165-L189 HydrophobicContact CG2-CD2 3.88Å; T165-L189 HydrophobicContact CG2-CG 4.41Å; L166-L189 HydrophobicContact CD2-CD2 3.64Å; L166-L189 HydrophobicContact CG-CD2 3.82Å; L169-L189 HydrophobicContact CD1-CB 4.09Å; L169-L189 HydrophobicContact CD1-CD2 4.16Å; G187-L189 VanDerWaalsContact C-N 3.32Å; G187-L189 PolarHBondContact O-N 3.31Å; L189-A192 PolarHBondContact O-N 3.34Å; L189-S193 WeakPolarHBondContact O-CB 3.5Å; L189-S193 PolarHBondContact O-N 3.27Å; L189-S193 PolarHBondContact O-OG 2.9Å; L189-V246 HydrophobicContact CD1-CG2 3.98Å; L189-N248 HydrophobicContact CD1-CB 3.86Å
190S98Very high96.1Very high0 Ų016.2 Ų16.20%010%0.097CC..Hα-helixtrans-63.2-45.3173.5-72.20000112.1D181 G187 S193 S194 A203 I227D181-S190 VanDerWaalsContact CB-OG 3.32Å; D181-S190 WeakPolarHBondContact CB-OG 3.4Å; D181-S190 PolarHBondContact OD2-N 3.3Å; D181-S190 PolarHBondContact OD2-OG 2.86Å; G187-S190 WeakPolarHBondContact O-CB 3.49Å; G187-S190 PolarHBondContact O-N 2.73Å; G187-S190 VanDerWaalsContact O-N 3.13Å; S190-S193 PolarHBondContact O-N 2.89Å; S190-S194 PolarHBondContact O-N 3.01Å; S190-A203 VanDerWaalsContact OG-CB 3.26Å; S190-A203 WeakPolarHBondContact OG-CB 3.46Å; S190-I227 WeakPolarHBondContact O-CD1 3.5Å
191I97.6Very high96.1Very high0 Ų016.2 Ų16.20%010%0.097CC..Hα-helixtrans-64-45.4177.1-61.4157.8000110.2I146 L148 G187 S193 S194 L195 N217 V218 N221 T224 I227I146-I191 HydrophobicContact CB-CG2 4.45Å; I146-I191 HydrophobicContact CG1-CG2 4.1Å; I146-I191 HydrophobicContact CG2-CB 4.25Å; I146-I191 HydrophobicContact CG2-CD1 4.28Å; I146-I191 HydrophobicContact CG2-CG2 3.87Å; L148-I191 HydrophobicContact CD2-CD1 3.83Å; G187-I191 WeakPolarHBondContact O-CG1 3.49Å; G187-I191 PolarHBondContact O-N 2.96Å; I191-S193 VanDerWaalsContact C-N 3.3Å; I191-S193 PolarHBondContact O-N 3.35Å; I191-S194 PolarHBondContact O-N 3.37Å; I191-L195 HydrophobicContact CG2-CD1 4.09Å; I191-L195 HydrophobicContact CG2-CG 4.43Å; I191-L195 WeakPolarHBondContact O-CB 2.88Å; I191-L195 WeakPolarHBondContact O-CG 3.28Å; I191-L195 PolarHBondContact O-N 3.33Å; I191-N217 HydrophobicContact CD1-CB 3.96Å; I191-V218 HydrophobicContact CD1-CG2 4.47Å; I191-V218 HydrophobicContact CG1-CG2 4.06Å; I191-N221 HydrophobicContact CG2-CB 3.99Å; I191-T224 HydrophobicContact CG2-CG2 4.24Å; I191-I227 HydrophobicContact CG1-CD1 4.13Å
192A96.9Very high96.1Very high0 Ų018.7 Ų18.70%011%0.107CC..Hα-helixtrans-57.2-44.2174.400000111.9L127 I146 L166 V188 L189 S194 L195 Y196L127-A192 HydrophobicContact CD2-CB 4.25Å; I146-A192 HydrophobicContact CD1-CB 3.77Å; L166-A192 HydrophobicContact CD2-CB 3.26Å; V188-A192 WeakPolarHBondContact O-CB 3.42Å; V188-A192 PolarHBondContact O-N 2.81Å; L189-A192 PolarHBondContact O-N 3.34Å; A192-S194 PolarHBondContact O-N 3.27Å; A192-L195 WeakPolarHBondContact O-CB 3.2Å; A192-L195 PolarHBondContact O-N 2.57Å; A192-Y196 HydrophobicContact CB-CD2 4.4Å; A192-Y196 HydrophobicContact CB-CE2 4.15Å; A192-Y196 WeakPolarHBondContact O-CD2 3.23Å; A192-Y196 PolarHBondContact O-N 2.84Å
193S98.2Very high96.1Very high0 Ų018.7 Ų18.70%011%0.107CC..Hα-helixtrans-62.2-43.3179.6-60.70000112.2L189 S190 I191 Y196 G197 A198L189-S193 WeakPolarHBondContact O-CB 3.5Å; L189-S193 PolarHBondContact O-N 3.27Å; L189-S193 PolarHBondContact O-OG 2.9Å; S190-S193 PolarHBondContact O-N 2.89Å; I191-S193 VanDerWaalsContact C-N 3.3Å; I191-S193 PolarHBondContact O-N 3.35Å; S193-Y196 PolarHBondContact O-N 3.21Å; S193-G197 PolarHBondContact O-N 3.08Å; S193-A198 VanDerWaalsContact O-CB 3.23Å; S193-A198 WeakPolarHBondContact O-CB 3.46Å; S193-A198 PolarHBondContact O-N 3.38Å
194S98.1Very high96.3Very high11 Ų1119.1 Ų19.18%0.07710%0.102CC..Hα-helixtrans-61.2-45.7173.6-179.90000111.7S190 I191 A192 Y196 G197 N223 N226S190-S194 PolarHBondContact O-N 3.01Å; I191-S194 PolarHBondContact O-N 3.37Å; A192-S194 PolarHBondContact O-N 3.27Å; S194-Y196 VanDerWaalsContact C-N 3.27Å; S194-Y196 PolarHBondContact O-N 2.84Å; S194-G197 WeakPolarHBondContact O-CA 3.41Å; S194-G197 PolarHBondContact O-N 3.33Å; S194-N223 PolarHBondContact OG-O 2.83Å; S194-N223 VanDerWaalsContact OG-O 3.13Å; S194-N226 WeakPolarHBondContact CB-OD1 3.34Å; S194-N226 PolarHBondContact OG-ND2 2.96Å; S194-N226 VanDerWaalsContact OG-ND2 3.14Å; S194-N226 PolarHBondContact OG-OD1 2.85Å
195L96.4Very high96.3Very high46 Ų4620 Ų2024%0.24111%0.106CC..Hα-helixtrans-62.1-31.5176-72.6176.8000112.9L127 K144 I146 I191 A192 G197L127-L195 HydrophobicContact CD1-CD1 4.43Å; K144-L195 HydrophobicContact CB-CB 4.39Å; K144-L195 HydrophobicContact CB-CD1 4.2Å; K144-L195 HydrophobicContact CD-CB 3.74Å; K144-L195 WeakPolarHBondContact CD-O 3.37Å; K144-L195 WeakPolarHBondContact CE-O 3.44Å; I146-L195 HydrophobicContact CD1-CD1 4.48Å; I146-L195 HydrophobicContact CG1-CD1 3.59Å; I191-L195 HydrophobicContact CG2-CD1 4.09Å; I191-L195 HydrophobicContact CG2-CG 4.43Å; I191-L195 WeakPolarHBondContact O-CB 2.88Å; I191-L195 WeakPolarHBondContact O-CG 3.28Å; I191-L195 PolarHBondContact O-N 3.33Å; A192-L195 WeakPolarHBondContact O-CB 3.2Å; A192-L195 PolarHBondContact O-N 2.57Å; L195-G197 PolarHBondContact O-N 2.93Å
196Y96.4Very high96.3Very high26 Ų2625.5 Ų25.510%0.10213%0.132CC..THydrogen-bonded Turntrans-78.8-1172.7-67.7-51.3000114.1L127 K144 L169 E170 L173 A192 S193 S194L127-Y196 HydrophobicContact CD2-CE2 4.44Å; K144-Y196 HydrophobicContact CD-CD1 4.25Å; K144-Y196 HydrophobicContact CD-CE1 4.39Å; L169-Y196 HydrophobicContact CB-CD2 4.44Å; L169-Y196 HydrophobicContact CB-CE2 4.39Å; E170-Y196 HydrophobicContact CB-CE1 4.13Å; E170-Y196 HydrophobicContact CB-CE2 4.14Å; E170-Y196 WeakPolarHBondContact CB-OH 3.36Å; E170-Y196 HydrophobicContact CG-CE1 3.87Å; E170-Y196 PolarHBondContact OE1-OH 3.4Å; L173-Y196 HydrophobicContact CD1-CD2 4.12Å; L173-Y196 HydrophobicContact CD1-CG 4.41Å; A192-Y196 HydrophobicContact CB-CD2 4.4Å; A192-Y196 HydrophobicContact CB-CE2 4.15Å; A192-Y196 WeakPolarHBondContact O-CD2 3.23Å; A192-Y196 PolarHBondContact O-N 2.84Å; S193-Y196 PolarHBondContact O-N 3.21Å; S194-Y196 VanDerWaalsContact C-N 3.27Å; S194-Y196 PolarHBondContact O-N 2.84Å
197G96.8Very high96.3Very high36 Ų3629.5 Ų29.537%0.37115%0.153SC..THydrogen-bonded Turntrans9714.6171.600000115.1G175 G176 S193 S194 L195G175-G197 CarbonylContact C-O 3.6Å; G175-G197 VanDerWaalsContact CA-O 3.25Å; G175-G197 WeakPolarHBondContact CA-O 3.06Å; G176-G197 PolarHBondContact N-O 3.21Å; S193-G197 PolarHBondContact O-N 3.08Å; S194-G197 WeakPolarHBondContact O-CA 3.41Å; S194-G197 PolarHBondContact O-N 3.33Å; L195-G197 PolarHBondContact O-N 2.93Å
198A98.2Very high96.1Very high4 Ų434.5 Ų34.53%0.03318%0.177CC..  trans-54.5142.8172.200000110.9E177 V179 S193 I201 N226E177-A198 CarbonylContact O-C 3.55Å; V179-A198 HydrophobicContact CG2-CB 3.7Å; S193-A198 VanDerWaalsContact O-CB 3.23Å; S193-A198 WeakPolarHBondContact O-CB 3.46Å; S193-A198 PolarHBondContact O-N 3.38Å; A198-I201 HydrophobicContact CB-CD1 3.8Å; A198-I201 HydrophobicContact CB-CG1 3.94Å; A198-N226 PolarHBondContact O-ND2 3.03Å
199K98.1Very high95.7Very high128 Ų12836.8 Ų36.856%0.55719%0.19SC*.SBendtrans-78.5-48.9-175.5-177.7179.9164.7-84.70112.4G176 E177 N226G176-K199 VanDerWaalsContact O-CB 3.3Å; G176-K199 WeakPolarHBondContact O-CB 3.32Å; E177-K199 PolarHBondContact O-N 2.68Å; K199-N226 VanDerWaalsContact O-CB 3.28Å; K199-N226 WeakPolarHBondContact O-CB 3.33Å
200D98.2Very high95.1Very high37 Ų3737 Ų3720%0.19819%0.193CC..EExtended strand (participates in β ladder)trans-140.3130.2-178.7-66.6-65.9000108T178 V179 Y202T178-D200 CarbonylContact C-O 3.55Å; T178-D200 VanDerWaalsContact CA-O 3.31Å; T178-D200 WeakPolarHBondContact CA-O 3.19Å; T178-D200 HydrophobicContact CG2-CB 4.45Å; V179-D200 PolarHBondContact N-O 3.36Å; D200-Y202 HydrophobicContact CB-CE2 4.06Å
201I98.8Very high94.8Very high0 Ų037.9 Ų37.90%020%0.198CC..EExtended strand (participates in β ladder)trans-121.6127.2178.9-55.487.3000108.5V179 A198 N226 I227 H228V179-I201 HydrophobicContact CB-CG1 4.18Å; V179-I201 HydrophobicContact CB-CG2 4.31Å; V179-I201 CarbonylContact O-C 3.49Å; V179-I201 WeakPolarHBondContact O-CA 3.26Å; A198-I201 HydrophobicContact CB-CD1 3.8Å; A198-I201 HydrophobicContact CB-CG1 3.94Å; I201-N226 HydrophobicContact CD1-CB 4.15Å; I201-N226 VanDerWaalsContact CD1-CG 3.48Å; I201-N226 WeakPolarHBondContact CD1-ND2 3.4Å; I201-N226 PolarHBondContact N-O 2.93Å; I201-I227 HydrophobicContact CB-CG1 4.16Å; I201-I227 HydrophobicContact CD1-CG1 4.06Å; I201-I227 HydrophobicContact CG1-CG1 4.43Å; I201-I227 HydrophobicContact CG2-CG2 4.49Å; I201-H228 PolarHBondContact O-N 2.65Å
202Y98.7Very high94.6Very high53 Ų5344 Ų4421%0.20822%0.221CC..EExtended strand (participates in β ladder)trans-111.8112.8173-58.9-87.6000109T178 V179 L180 D181 D200 H228 Q240T178-Y202 HydrophobicContact CG2-CD2 4.23Å; T178-Y202 HydrophobicContact CG2-CE2 4Å; V179-Y202 PolarHBondContact O-N 3.01Å; L180-Y202 CarbonylContact C-O 3.42Å; L180-Y202 WeakPolarHBondContact CA-O 3.38Å; L180-Y202 HydrophobicContact CD2-CD2 3.82Å; L180-Y202 HydrophobicContact CD2-CG 4.14Å; D181-Y202 PolarHBondContact N-O 2.96Å; D200-Y202 HydrophobicContact CB-CE2 4.06Å; Y202-H228 HydrophobicContact CD1-CB 3.84Å; Y202-H228 AromaticContact CD1-CD2 3.9Å; Y202-H228 HydrophobicContact CE1-CB 4.2Å; Y202-H228 AromaticContact CE1-CD2 3.51Å; Y202-H228 AromaticContact CZ-CD2 3.95Å; Y202-Q240 HydrophobicContact CD2-CG 4.28Å; Y202-Q240 HydrophobicContact CE2-CG 3.8Å
203A98.4Very high94.2Very high0 Ų044.4 Ų44.40%022%0.224CC..EExtended strand (participates in β ladder)trans-106.3118.2-173.800000109.6D181 T184 S190 I227 H228 V229 A230D181-A203 HydrophobicContact CB-CB 4.45Å; D181-A203 WeakPolarHBondContact O-CA 3.39Å; T184-A203 HydrophobicContact CG2-CB 4.01Å; S190-A203 VanDerWaalsContact OG-CB 3.26Å; S190-A203 WeakPolarHBondContact OG-CB 3.46Å; A203-I227 HydrophobicContact CB-CG2 4.38Å; A203-H228 PolarHBondContact N-O 3.07Å; A203-V229 HydrophobicContact CB-CG1 4.44Å; A203-V229 HydrophobicContact CB-CG2 4.26Å; A203-V229 WeakPolarHBondContact O-CA 3.31Å; A203-A230 PolarHBondContact O-N 3.26Å
204Y98Very high94Very high33 Ų3344.4 Ų44.413%0.12922%0.224CC..EExtended strand (participates in β ladder)trans-117.1136.9-175.3-63.4-56.2000111.6L180 D181 G183 T184 A230 N232 L235 V238L180-Y204 HydrophobicContact CD2-CE2 4.5Å; D181-Y204 PolarHBondContact O-N 3.43Å; G183-Y204 WeakPolarHBondContact CA-O 3.48Å; G183-Y204 PolarHBondContact N-O 3.46Å; T184-Y204 PolarHBondContact N-O 3.25Å; Y204-A230 WeakPolarHBondContact CA-O 3.28Å; Y204-A230 HydrophobicContact CD1-CB 4.16Å; Y204-A230 HydrophobicContact CE1-CB 4.1Å; Y204-N232 HydrophobicContact CD1-CB 3.6Å; Y204-N232 HydrophobicContact CE1-CB 4.31Å; Y204-N232 HydrophobicContact CG-CB 3.88Å; Y204-L235 HydrophobicContact CD2-CD2 4.48Å; Y204-V238 HydrophobicContact CD2-CG2 4.45Å; Y204-V238 HydrophobicContact CE2-CG1 4.4Å; Y204-V238 HydrophobicContact CE2-CG2 3.79Å
205D93.1Very high93.9Very high24 Ų2447.2 Ų47.213%0.12824%0.236CC..EExtended strand (participates in β ladder)trans-140.7150.8168.2-149.3-67.2000110.6T184 G185 D207 A210 V211 A230 A231 N232T184-D205 HydrophobicContact CG2-CB 4.16Å; T184-D205 PolarHBondContact N-OD2 2.77Å; G185-D205 PolarHBondContact N-OD2 2.98Å; D205-D207 PolarHBondContact OD1-N 2.8Å; D205-A210 HydrophobicContact CB-CB 4.03Å; D205-A210 VanDerWaalsContact CG-CB 3.49Å; D205-V211 HydrophobicContact CB-CG2 3.99Å; D205-A230 PolarHBondContact N-O 2.75Å; D205-A231 CarbonylContact O-C 3.59Å; D205-A231 WeakPolarHBondContact O-CA 3.49Å; D205-N232 CarbonylContact C-O 3.53Å; D205-N232 VanDerWaalsContact C-O 3.31Å; D205-N232 PolarHBondContact O-N 2.84Å
206L90.4Very high93.8Very high126 Ų12650.9 Ų50.966%0.6625%0.252SS*.SBendtrans-77.5-31.6175.3-176.867.2000110.9N232 D233L206-N232 WeakPolarHBondContact CA-O 3.02Å; L206-N232 PolarHBondContact N-O 2.9Å; L206-D233 HydrophobicContact CD1-CB 4.09Å
207D87.4Confident93.6Very high85 Ų8549.7 Ų49.746%0.45525%0.248SC..  trans-88.5117.1-177.4-172.8-3000111.6D205 V209 A210 V211D205-D207 PolarHBondContact OD1-N 2.8Å; D207-V209 PolarHBondContact O-N 2.89Å; D207-V209 VanDerWaalsContact O-N 3.12Å; D207-V209 WeakPolarHBondContact OD1-CB 3.38Å; D207-V209 WeakPolarHBondContact OD1-CG2 3.48Å; D207-V209 PolarHBondContact OD1-N 3.35Å; D207-A210 HydrophobicContact CB-CB 4.15Å; D207-A210 WeakPolarHBondContact O-CA 3.32Å; D207-A210 WeakPolarHBondContact O-CB 3.45Å; D207-A210 PolarHBondContact O-N 3.05Å; D207-V211 WeakPolarHBondContact O-CG2 3.48Å; D207-V211 PolarHBondContact O-N 3.08Å
208E90Very high93.6Very high107 Ų10748.1 Ų48.150%0.523%0.231SC..Hα-helixtrans-55.8-25.8173.4-72.9-76-178.700113.6R212E208-R212 WeakPolarHBondContact O-CG 3.21Å; E208-R212 VanDerWaalsContact O-CZ 3.29Å; E208-R212 PolarHBondContact O-N 3.17Å; E208-R212 PolarHBondContact O-NH1 3.11Å
209V84.9Confident93.5Very high52 Ų5253.4 Ų53.432%0.31526%0.259SS..Hα-helixtrans-68.8-45.2172.5-179.20000110.6D207 R212 S213D207-V209 PolarHBondContact O-N 2.89Å; D207-V209 VanDerWaalsContact O-N 3.12Å; D207-V209 WeakPolarHBondContact OD1-CB 3.38Å; D207-V209 WeakPolarHBondContact OD1-CG2 3.48Å; D207-V209 PolarHBondContact OD1-N 3.35Å; V209-R212 PolarHBondContact O-N 3.22Å; V209-S213 PolarHBondContact O-N 2.86Å
210A85.1Confident93.3Very high10 Ų1051 Ų518%0.08325%0.252CS..Hα-helixtrans-63.7-44.3176.200000111G185 D205 D207 R212 S213 A214G185-A210 VanDerWaalsContact O-O 3.09Å; D205-A210 HydrophobicContact CB-CB 4.03Å; D205-A210 VanDerWaalsContact CG-CB 3.49Å; D207-A210 HydrophobicContact CB-CB 4.15Å; D207-A210 WeakPolarHBondContact O-CA 3.32Å; D207-A210 WeakPolarHBondContact O-CB 3.45Å; D207-A210 PolarHBondContact O-N 3.05Å; A210-R212 VanDerWaalsContact C-N 3.32Å; A210-R212 PolarHBondContact O-N 3.27Å; A210-S213 PolarHBondContact O-N 2.94Å; A210-S213 VanDerWaalsContact O-N 3.11Å; A210-A214 WeakPolarHBondContact O-CB 3.19Å; A210-A214 PolarHBondContact O-N 3.39Å
211V92.2Very high93.2Very high18 Ų1850 Ų5011%0.10925%0.246CC..Hα-helixtrans-54.6-46.7175.3173.80000111.9D205 D207 Q215 V229 A231D205-V211 HydrophobicContact CB-CG2 3.99Å; D207-V211 WeakPolarHBondContact O-CG2 3.48Å; D207-V211 PolarHBondContact O-N 3.08Å; V211-Q215 PolarHBondContact O-N 3.03Å; V211-V229 HydrophobicContact CG1-CG1 4.02Å; V211-A231 HydrophobicContact CG2-CB 4Å
212R91.7Very high92.9Very high127 Ų12753.5 Ų53.548%0.47928%0.275SS..Hα-helixtrans-65.1-44176.8-73.3-170.6-58.6-80.7-1.7112.1E208 V209 A210 Q215 E216E208-R212 WeakPolarHBondContact O-CG 3.21Å; E208-R212 VanDerWaalsContact O-CZ 3.29Å; E208-R212 PolarHBondContact O-N 3.17Å; E208-R212 PolarHBondContact O-NH1 3.11Å; V209-R212 PolarHBondContact O-N 3.22Å; A210-R212 VanDerWaalsContact C-N 3.32Å; A210-R212 PolarHBondContact O-N 3.27Å; R212-Q215 PolarHBondContact O-N 3.24Å; R212-E216 WeakPolarHBondContact O-CG 3.15Å; R212-E216 PolarHBondContact O-N 2.91Å
213S89.5Confident92.6Very high10 Ų1056.9 Ų56.97%0.0730%0.296CS..Hα-helixtrans-63.8-42.1178.9-177.40000112.2A153 V209 A210 E216 N217A153-S213 WeakPolarHBondContact CB-OG 3.19Å; V209-S213 PolarHBondContact O-N 2.86Å; A210-S213 PolarHBondContact O-N 2.94Å; A210-S213 VanDerWaalsContact O-N 3.11Å; S213-E216 PolarHBondContact O-N 2.6Å; S213-N217 WeakPolarHBondContact O-CB 3.47Å; S213-N217 PolarHBondContact O-N 3.41Å; S213-N217 PolarHBondContact O-ND2 3.32Å
214A93.3Very high92.5Very high0 Ų057.3 Ų57.30%030%0.299CS..Hα-helixtrans-59.3-46.217300000111.4T184 S186 A210 E216 N217 V218 V229T184-A214 HydrophobicContact CG2-CB 3.93Å; S186-A214 WeakPolarHBondContact O-CA 3.32Å; A210-A214 WeakPolarHBondContact O-CB 3.19Å; A210-A214 PolarHBondContact O-N 3.39Å; A214-E216 PolarHBondContact O-N 3.07Å; A214-N217 PolarHBondContact O-N 3.35Å; A214-V218 WeakPolarHBondContact O-CB 3.44Å; A214-V218 WeakPolarHBondContact O-CG2 3.15Å; A214-V218 PolarHBondContact O-N 3.27Å; A214-V229 HydrophobicContact CB-CG1 3.78Å; A214-V229 HydrophobicContact CB-CG2 4.38Å
215Q95.9Very high92.4Very high69 Ų6963 Ų6332%0.32233%0.327SS..Hα-helixtrans-62.4-43.9177.2-172.361.663.100112.1V211 R212 N217 V218 D219V211-Q215 PolarHBondContact O-N 3.03Å; R212-Q215 PolarHBondContact O-N 3.24Å; Q215-N217 VanDerWaalsContact C-N 3.32Å; Q215-N217 PolarHBondContact O-N 3.45Å; Q215-V218 PolarHBondContact O-N 3.05Å; Q215-D219 PolarHBondContact NE2-OD1 2.95Å; Q215-D219 PolarHBondContact O-N 3.48Å
216E94.1Very high92.7Very high124 Ų12463.4 Ų63.458%0.57933%0.329SS*.Hα-helixtrans-60.2-42.5176.3-72.8171.1-176.400111.5R212 S213 A214 D219 L220R212-E216 WeakPolarHBondContact O-CG 3.15Å; R212-E216 PolarHBondContact O-N 2.91Å; S213-E216 PolarHBondContact O-N 2.6Å; A214-E216 PolarHBondContact O-N 3.07Å; E216-D219 PolarHBondContact O-N 3.46Å; E216-L220 WeakPolarHBondContact O-CG 3.31Å; E216-L220 PolarHBondContact O-N 3.5Å
217N93.8Very high93.1Very high1 Ų157.9 Ų57.91%0.00530%0.3CS..Hα-helixtrans-68.9-37.1176.3-75.5-36.2000112.9L148 D149 S186 I191 S213 A214 Q215 D219 L220 N221L148-N217 HydrophobicContact CD2-CB 3.8Å; D149-N217 PolarHBondContact N-OD1 3.17Å; D149-N217 PolarHBondContact O-OD1 3.24Å; S186-N217 VanDerWaalsContact O-CB 3.3Å; S186-N217 WeakPolarHBondContact O-CB 3.17Å; S186-N217 PolarHBondContact O-ND2 2.95Å; I191-N217 HydrophobicContact CD1-CB 3.96Å; S213-N217 WeakPolarHBondContact O-CB 3.47Å; S213-N217 PolarHBondContact O-N 3.41Å; S213-N217 PolarHBondContact O-ND2 3.32Å; A214-N217 PolarHBondContact O-N 3.35Å; Q215-N217 VanDerWaalsContact C-N 3.32Å; Q215-N217 PolarHBondContact O-N 3.45Å; N217-D219 VanDerWaalsContact C-N 3.3Å; N217-D219 PolarHBondContact O-N 2.9Å; N217-L220 WeakPolarHBondContact O-CB 3.29Å; N217-L220 PolarHBondContact O-N 2.86Å; N217-N221 PolarHBondContact O-ND2 3.26Å
218V96.5Very high93.6Very high3 Ų357.6 Ų57.62%0.01830%0.296CS..Hα-helixtrans-59.2-44.7172.8165.30000110.1I191 A214 Q215 L220 N221 T224 I227 V229I191-V218 HydrophobicContact CD1-CG2 4.47Å; I191-V218 HydrophobicContact CG1-CG2 4.06Å; A214-V218 WeakPolarHBondContact O-CB 3.44Å; A214-V218 WeakPolarHBondContact O-CG2 3.15Å; A214-V218 PolarHBondContact O-N 3.27Å; Q215-V218 PolarHBondContact O-N 3.05Å; V218-L220 VanDerWaalsContact C-N 3.25Å; V218-L220 PolarHBondContact O-N 2.93Å; V218-N221 PolarHBondContact O-N 3.23Å; V218-N221 VanDerWaalsContact O-N 3.12Å; V218-T224 PolarHBondContact O-OG1 3Å; V218-I227 HydrophobicContact CG1-CB 4.18Å; V218-I227 HydrophobicContact CG1-CD1 4.38Å; V218-I227 HydrophobicContact CG2-CB 4.22Å; V218-I227 HydrophobicContact CG2-CD1 3.93Å; V218-I227 HydrophobicContact CG2-CG2 3.81Å; V218-V229 HydrophobicContact CG2-CG2 4.19Å
219D95.6Very high94Very high115 Ų11553.6 Ų53.662%0.61528%0.279SS*.Hα-helixtrans-67.8-21.8-180-66.4-9.5000113.2Q215 E216 N217 N221Q215-D219 PolarHBondContact NE2-OD1 2.95Å; Q215-D219 PolarHBondContact O-N 3.48Å; E216-D219 PolarHBondContact O-N 3.46Å; N217-D219 VanDerWaalsContact C-N 3.3Å; N217-D219 PolarHBondContact O-N 2.9Å; D219-N221 VanDerWaalsContact C-N 3.29Å
220L94.5Very high94.6Very high78 Ų7853 Ų5341%0.40828%0.28SS..THydrogen-bonded Turntrans-75.8-14.7174-71.3174.6000113.4T147 D149 E216 N217 V218T147-L220 HydrophobicContact CG2-CB 4.45Å; D149-L220 HydrophobicContact CB-CD1 3.94Å; E216-L220 WeakPolarHBondContact O-CG 3.31Å; E216-L220 PolarHBondContact O-N 3.5Å; N217-L220 WeakPolarHBondContact O-CB 3.29Å; N217-L220 PolarHBondContact O-N 2.86Å; V218-L220 VanDerWaalsContact C-N 3.25Å; V218-L220 PolarHBondContact O-N 2.93Å
221N96Very high95.2Very high15 Ų1554.7 Ų54.78%0.0829%0.293CS..SBendtrans-110.1143.6-175.9-69.8-85.5000111T147 I191 N217 V218 D219 T224T147-N221 PolarHBondContact N-OD1 3.1Å; T147-N221 PolarHBondContact O-ND2 2.81Å; I191-N221 HydrophobicContact CG2-CB 3.99Å; N217-N221 PolarHBondContact O-ND2 3.26Å; V218-N221 PolarHBondContact O-N 3.23Å; V218-N221 VanDerWaalsContact O-N 3.12Å; D219-N221 VanDerWaalsContact C-N 3.29Å; N221-T224 HydrophobicContact CB-CG2 3.68Å; N221-T224 PolarHBondContact O-OG1 3.12Å
222A93Very high95.4Very high74 Ų7455.8 Ų55.861%0.61230%0.299SS*.THydrogen-bonded Turntrans-83.6149.5177.900000111.5T224A222-T224 VanDerWaalsContact C-N 3.34Å
223N91.5Very high95.6Very high123 Ų12353.9 Ų53.966%0.65830%0.298SS*.THydrogen-bonded Turntrans64.531.9177-44.7-65.8000114.4S194 E225S194-N223 PolarHBondContact OG-O 2.83Å; S194-N223 VanDerWaalsContact OG-O 3.13Å; N223-E225 WeakPolarHBondContact CA-OE2 3.22Å
224T96.7Very high95.9Very high9 Ų954.7 Ų54.76%0.05530%0.301CS..  trans-106.115.8-178.951.60000113I191 V218 N221 A222 N226 I227I191-T224 HydrophobicContact CG2-CG2 4.24Å; V218-T224 PolarHBondContact O-OG1 3Å; N221-T224 HydrophobicContact CB-CG2 3.68Å; N221-T224 PolarHBondContact O-OG1 3.12Å; A222-T224 VanDerWaalsContact C-N 3.34Å; T224-N226 PolarHBondContact O-N 2.98Å; T224-N226 VanDerWaalsContact O-N 3.07Å; T224-N226 PolarHBondContact O-OD1 2.69Å; T224-I227 HydrophobicContact CG2-CD1 4.01Å; T224-I227 WeakPolarHBondContact O-CB 3.44Å; T224-I227 PolarHBondContact O-N 2.88Å
225E96.2Very high96.1Very high154 Ų15454.7 Ų54.772%0.7230%0.301SS*.THydrogen-bonded Turntrans-66.1-11.8-177.3-56.686.1169.100113.8N223 I227N223-E225 WeakPolarHBondContact CA-OE2 3.22Å; E225-I227 VanDerWaalsContact C-N 3.29Å
226N98.1Very high96.1Very high31 Ų3155.4 Ų55.417%0.16631%0.31CS..THydrogen-bonded Turntrans-81.9-1.2173.259.4-18.4000113.8S194 A198 K199 I201 T224S194-N226 WeakPolarHBondContact CB-OD1 3.34Å; S194-N226 PolarHBondContact OG-ND2 2.96Å; S194-N226 VanDerWaalsContact OG-ND2 3.14Å; S194-N226 PolarHBondContact OG-OD1 2.85Å; A198-N226 PolarHBondContact O-ND2 3.03Å; K199-N226 VanDerWaalsContact O-CB 3.28Å; K199-N226 WeakPolarHBondContact O-CB 3.33Å; I201-N226 HydrophobicContact CD1-CB 4.15Å; I201-N226 VanDerWaalsContact CD1-CG 3.48Å; I201-N226 WeakPolarHBondContact CD1-ND2 3.4Å; I201-N226 PolarHBondContact N-O 2.93Å; T224-N226 PolarHBondContact O-N 2.98Å; T224-N226 VanDerWaalsContact O-N 3.07Å; T224-N226 PolarHBondContact O-OD1 2.69Å
227I98.6Very high96.2Very high10 Ų1052.9 Ų52.95%0.05132%0.317CS..EExtended strand (participates in β ladder)trans-95.5125.6178.3-54.7174.6000109.8S190 I191 I201 A203 V218 T224 E225 V229S190-I227 WeakPolarHBondContact O-CD1 3.5Å; I191-I227 HydrophobicContact CG1-CD1 4.13Å; I201-I227 HydrophobicContact CB-CG1 4.16Å; I201-I227 HydrophobicContact CD1-CG1 4.06Å; I201-I227 HydrophobicContact CG1-CG1 4.43Å; I201-I227 HydrophobicContact CG2-CG2 4.49Å; A203-I227 HydrophobicContact CB-CG2 4.38Å; V218-I227 HydrophobicContact CG1-CB 4.18Å; V218-I227 HydrophobicContact CG1-CD1 4.38Å; V218-I227 HydrophobicContact CG2-CB 4.22Å; V218-I227 HydrophobicContact CG2-CD1 3.93Å; V218-I227 HydrophobicContact CG2-CG2 3.81Å; T224-I227 HydrophobicContact CG2-CD1 4.01Å; T224-I227 WeakPolarHBondContact O-CB 3.44Å; T224-I227 PolarHBondContact O-N 2.88Å; E225-I227 VanDerWaalsContact C-N 3.29Å; I227-V229 HydrophobicContact CG2-CG2 4.01Å
228H98.3Very high96.4Very high80 Ų8053.2 Ų53.237%0.3732%0.32SS..EExtended strand (participates in β ladder)trans-114.6102.9177.9-56-58.3000109.6I201 Y202 A203I201-H228 PolarHBondContact O-N 2.65Å; Y202-H228 HydrophobicContact CD1-CB 3.84Å; Y202-H228 AromaticContact CD1-CD2 3.9Å; Y202-H228 HydrophobicContact CE1-CB 4.2Å; Y202-H228 AromaticContact CE1-CD2 3.51Å; Y202-H228 AromaticContact CZ-CD2 3.95Å; A203-H228 PolarHBondContact N-O 3.07Å
229V98Very high96.4Very high23 Ų2361.4 Ų61.414%0.13936%0.357CS..EExtended strand (participates in β ladder)trans-92.2131.5179.6-1650000110.1T184 A203 V211 A214 V218 I227T184-V229 HydrophobicContact CG2-CG1 4.49Å; A203-V229 HydrophobicContact CB-CG1 4.44Å; A203-V229 HydrophobicContact CB-CG2 4.26Å; A203-V229 WeakPolarHBondContact O-CA 3.31Å; V211-V229 HydrophobicContact CG1-CG1 4.02Å; A214-V229 HydrophobicContact CB-CG1 3.78Å; A214-V229 HydrophobicContact CB-CG2 4.38Å; V218-V229 HydrophobicContact CG2-CG2 4.19Å; I227-V229 HydrophobicContact CG2-CG2 4.01Å
230A97.9Very high96.4Very high40 Ų4060 Ų6033%0.33135%0.347SS..EExtended strand (participates in β ladder)trans-149.5154175.900000112.2A203 Y204 D205A203-A230 PolarHBondContact O-N 3.26Å; Y204-A230 WeakPolarHBondContact CA-O 3.28Å; Y204-A230 HydrophobicContact CD1-CB 4.16Å; Y204-A230 HydrophobicContact CE1-CB 4.1Å; D205-A230 PolarHBondContact N-O 2.75Å
231A97.3Very high96.6Very high45 Ų4561.1 Ų61.137%0.37235%0.351SS..EExtended strand (participates in β ladder)trans-70.9130.5168.300000110.2D205 V211D205-A231 CarbonylContact O-C 3.59Å; D205-A231 WeakPolarHBondContact O-CA 3.49Å; V211-A231 HydrophobicContact CG2-CB 4Å
232N97.4Very high96.7Very high41 Ų4160.4 Ų60.422%0.21935%0.347CS..  trans-156.3153.1170.5-158.833.3000112.4Y204 D205 L206 L234 V236 V238Y204-N232 HydrophobicContact CD1-CB 3.6Å; Y204-N232 HydrophobicContact CE1-CB 4.31Å; Y204-N232 HydrophobicContact CG-CB 3.88Å; D205-N232 CarbonylContact C-O 3.53Å; D205-N232 VanDerWaalsContact C-O 3.31Å; D205-N232 PolarHBondContact O-N 2.84Å; L206-N232 WeakPolarHBondContact CA-O 3.02Å; L206-N232 PolarHBondContact N-O 2.9Å; N232-L234 PolarHBondContact ND2-O 3.48Å; N232-L234 PolarHBondContact O-N 2.75Å; N232-V236 PolarHBondContact ND2-O 3.36Å; N232-V236 VanDerWaalsContact ND2-O 3.15Å; N232-V236 PolarHBondContact OD1-O 3.48Å; N232-V238 WeakPolarHBondContact ND2-CG2 3.43Å
233D95.9Very high96.9Very high86 Ų8659.1 Ų59.146%0.4633%0.33SS..SBendtrans-85.598.5168.5-174.79000109.2L206 L235 V236L206-D233 HydrophobicContact CD1-CB 4.09Å; D233-L235 PolarHBondContact O-N 2.92Å; D233-L235 VanDerWaalsContact O-N 3.16Å; D233-V236 VanDerWaalsContact O-CB 3.3Å; D233-V236 WeakPolarHBondContact O-CB 3.3Å; D233-V236 VanDerWaalsContact O-CG2 3.27Å; D233-V236 WeakPolarHBondContact O-CG2 3.45Å; D233-V236 PolarHBondContact O-N 3.31Å
234L95.3Very high97.3Very high28 Ų2853.5 Ų53.515%0.14730%0.299CS..THydrogen-bonded Turntrans49.4-120.2-176-56.3173.7000111.2V182 N232 I249 I253 L256 M257V182-L234 HydrophobicContact CG1-CB 4.33Å; V182-L234 HydrophobicContact CG1-CD2 3.86Å; N232-L234 PolarHBondContact ND2-O 3.48Å; N232-L234 PolarHBondContact O-N 2.75Å; L234-I249 HydrophobicContact CD2-CD1 3.9Å; L234-I253 HydrophobicContact CD1-CG2 4.15Å; L234-I253 HydrophobicContact CD2-CG2 3.67Å; L234-I253 HydrophobicContact CG-CG2 4.46Å; L234-L256 HydrophobicContact CD1-CB 3.99Å; L234-M257 HydrophobicContact CB-CB 4.27Å; L234-M257 HydrophobicContact CD1-CB 4.13Å; L234-M257 HydrophobicContact CD2-SD 4.24Å
235L97.3Very high97.4Very high0 Ų053 Ų530%030%0.297CS..THydrogen-bonded Turntrans-10913.4179.7-66175.6000112.7L180 V182 Y204 D233 G237 V238 I245 M257 D260 A261 L264L180-L235 HydrophobicContact CB-CD2 4.47Å; L180-L235 HydrophobicContact CD1-CD2 3.84Å; V182-L235 HydrophobicContact CG2-CD1 4.37Å; V182-L235 HydrophobicContact CG2-CD2 3.56Å; V182-L235 HydrophobicContact CG2-CG 3.9Å; Y204-L235 HydrophobicContact CD2-CD2 4.48Å; D233-L235 PolarHBondContact O-N 2.92Å; D233-L235 VanDerWaalsContact O-N 3.16Å; L235-G237 PolarHBondContact O-N 3.11Å; L235-V238 HydrophobicContact CD2-CG2 4.42Å; L235-V238 WeakPolarHBondContact O-CB 3.45Å; L235-V238 PolarHBondContact O-N 2.78Å; L235-V238 VanDerWaalsContact O-N 3.08Å; L235-I245 HydrophobicContact CD1-CD1 4.14Å; L235-I245 HydrophobicContact CD1-CG2 4.47Å; L235-M257 HydrophobicContact CD1-CE 3.62Å; L235-M257 HydrophobicContact CG-CE 4.11Å; L235-D260 HydrophobicContact CB-CB 3.7Å; L235-D260 HydrophobicContact CD1-CB 4.13Å; L235-A261 HydrophobicContact CD1-CB 4.21Å; L235-L264 HydrophobicContact CB-CD1 3.87Å; L235-L264 HydrophobicContact CD1-CD1 3.95Å; L235-L264 HydrophobicContact CD2-CD1 4.09Å; L235-L264 HydrophobicContact CG-CD1 4.19Å
236V96.6Very high97.5Very high83 Ų8345.7 Ų45.750%0.50326%0.262SS..THydrogen-bonded Turntrans-60.2127.3-178.9177.40000109.7N232 D233 V238N232-V236 PolarHBondContact ND2-O 3.36Å; N232-V236 VanDerWaalsContact ND2-O 3.15Å; N232-V236 PolarHBondContact OD1-O 3.48Å; D233-V236 VanDerWaalsContact O-CB 3.3Å; D233-V236 WeakPolarHBondContact O-CB 3.3Å; D233-V236 VanDerWaalsContact O-CG2 3.27Å; D233-V236 WeakPolarHBondContact O-CG2 3.45Å; D233-V236 PolarHBondContact O-N 3.31Å; V236-V238 PolarHBondContact O-N 3.24Å
237G96.3Very high97.5Very high71 Ų7144.2 Ų44.273%0.73226%0.255SS*.THydrogen-bonded Turntrans72.50.9179.300000115.3L235L235-G237 PolarHBondContact O-N 3.11Å
238V97.5Very high97.3Very high9 Ų944.7 Ų44.76%0.05526%0.257CS..  trans-75.2130.2173.3-1790000109L180 Y204 N232 L235 V236 Q240 R263 L264L180-V238 HydrophobicContact CD1-CG1 4.32Å; Y204-V238 HydrophobicContact CD2-CG2 4.45Å; Y204-V238 HydrophobicContact CE2-CG1 4.4Å; Y204-V238 HydrophobicContact CE2-CG2 3.79Å; N232-V238 WeakPolarHBondContact ND2-CG2 3.43Å; L235-V238 HydrophobicContact CD2-CG2 4.42Å; L235-V238 WeakPolarHBondContact O-CB 3.45Å; L235-V238 PolarHBondContact O-N 2.78Å; L235-V238 VanDerWaalsContact O-N 3.08Å; V236-V238 PolarHBondContact O-N 3.24Å; V238-Q240 HydrophobicContact CG1-CB 4.46Å; V238-R263 PolarHBondContact O-NH1 2.96Å; V238-R263 PolarHBondContact O-NH2 3.39Å; V238-R263 VanDerWaalsContact O-NH2 3.1Å; V238-L264 HydrophobicContact CB-CD1 3.94Å; V238-L264 HydrophobicContact CG1-CD1 3.91Å; V238-L264 HydrophobicContact CG1-CD2 4.21Å; V238-L264 WeakPolarHBondContact O-CD2 3.18Å
239E96.5Very high96.9Very high174 Ų17442.3 Ų42.381%0.81325%0.247SC*.  trans-115.5-9.3177.2-63.8-171.7165.700113E241E239-E241 PolarHBondContact O-N 2.89Å
240Q95.9Very high96.6Very high86 Ų8646.7 Ų46.740%0.40227%0.269SS..  trans-75.8113.2-177.4179.256.96400110.7Y202 V238 L264Y202-Q240 HydrophobicContact CD2-CG 4.28Å; Y202-Q240 HydrophobicContact CE2-CG 3.8Å; V238-Q240 HydrophobicContact CG1-CB 4.46Å; Q240-L264 WeakPolarHBondContact O-CD2 3.03Å
241E97.5Very high96.2Very high102 Ų10245 Ų4548%0.47726%0.255SS..  trans-66.5147.6172.9-65.5-176.4143.500111.7E239 L264 K266E239-E241 PolarHBondContact O-N 2.89Å; E241-L264 CarbonylContact C-O 3.55Å; E241-L264 WeakPolarHBondContact CA-O 3.44Å; E241-K266 HydrophobicContact CB-CG 4.03Å
242A98.4Very high95.8Very high0 Ų046.9 Ų46.90%026%0.259CS..EExtended strand (participates in β ladder)trans-133.6153.1-177.400000112.5T178 L180 I245 L264 K266T178-A242 HydrophobicContact CG2-CB 4.2Å; L180-A242 HydrophobicContact CD1-CB 4.05Å; L180-A242 HydrophobicContact CD2-CB 4.26Å; L180-A242 HydrophobicContact CG-CB 3.62Å; A242-I245 HydrophobicContact CB-CG1 4.29Å; A242-L264 PolarHBondContact N-O 2.94Å; A242-K266 PolarHBondContact O-N 2.91Å
243D98.6Very high95.5Very high47 Ų4748.2 Ų48.225%0.25127%0.265SS..EExtended strand (participates in β ladder)trans-82-32.4173.5-53.2-76.9000110.2E177 T178 K266 G269 T270E177-D243 HydrophobicContact CB-CB 3.93Å; E177-D243 HydrophobicContact CG-CB 4.06Å; T178-D243 PolarHBondContact N-OD2 3.04Å; T178-D243 PolarHBondContact O-N 2.92Å; D243-K266 WeakPolarHBondContact OD1-CD 3.44Å; D243-K266 IonicContact OD1-NZ 3.19Å; D243-K266 PolarHBondContact OD1-NZ 3.34Å; D243-K266 IonicContact OD2-NZ 2.95Å; D243-K266 PolarHBondContact OD2-NZ 3.27Å; D243-G269 CarbonylContact O-C 3.55Å; D243-G269 VanDerWaalsContact O-CA 3.31Å; D243-G269 WeakPolarHBondContact O-CA 3.42Å; D243-T270 PolarHBondContact O-N 3.08Å
244V98.8Very high95.5Very high4 Ų444.1 Ų44.12%0.02424%0.243CC..EExtended strand (participates in β ladder)trans-132.8133.2177.2-174.50000110.2V172 L173 E177 T178 V179 L180 T270 I272V172-V244 HydrophobicContact CG1-CG1 4.33Å; V172-V244 HydrophobicContact CG1-CG2 3.77Å; L173-V244 HydrophobicContact CD2-CG2 3.97Å; E177-V244 HydrophobicContact CB-CG2 4.5Å; E177-V244 HydrophobicContact CG-CG2 4.44Å; T178-V244 PolarHBondContact O-N 3.49Å; T178-V244 VanDerWaalsContact O-N 3.15Å; V179-V244 CarbonylContact C-O 3.6Å; V179-V244 VanDerWaalsContact CA-O 3.26Å; V179-V244 WeakPolarHBondContact CA-O 3.22Å; V179-V244 HydrophobicContact CG2-CB 4.28Å; L180-V244 PolarHBondContact N-O 2.83Å; V244-T270 CarbonylContact C-O 3.59Å; V244-T270 VanDerWaalsContact CA-O 3.28Å; V244-T270 WeakPolarHBondContact CA-O 3.46Å; V244-I272 HydrophobicContact CG1-CD1 4.13Å; V244-I272 HydrophobicContact CG1-CG1 4.43Å
245I98.7Very high95.5Very high0 Ų044.6 Ų44.60%025%0.247CC..EExtended strand (participates in β ladder)trans-113.7135.1163.8-60.5-177.3000106.9L180 V182 L235 A242 M257 A261 L264 L265 T270 F271 I272L180-I245 HydrophobicContact CB-CG1 4.12Å; L180-I245 HydrophobicContact CB-CG2 4.39Å; L180-I245 HydrophobicContact CD1-CD1 3.99Å; L180-I245 HydrophobicContact CD1-CG1 4.04Å; L180-I245 HydrophobicContact CG-CG1 4.23Å; L180-I245 CarbonylContact O-C 3.53Å; L180-I245 WeakPolarHBondContact O-CA 3.35Å; V182-I245 HydrophobicContact CG2-CG2 4.32Å; L235-I245 HydrophobicContact CD1-CD1 4.14Å; L235-I245 HydrophobicContact CD1-CG2 4.47Å; A242-I245 HydrophobicContact CB-CG1 4.29Å; I245-M257 HydrophobicContact CG2-CE 4.2Å; I245-A261 HydrophobicContact CD1-CB 4.09Å; I245-L264 HydrophobicContact CD1-CB 3.98Å; I245-L265 HydrophobicContact CB-CD2 4.27Å; I245-L265 HydrophobicContact CB-CG 4.46Å; I245-L265 HydrophobicContact CD1-CD1 4.28Å; I245-L265 HydrophobicContact CD1-CD2 4.13Å; I245-L265 HydrophobicContact CD1-CG 3.68Å; I245-L265 HydrophobicContact CG1-CD1 4.44Å; I245-L265 HydrophobicContact CG1-CD2 3.71Å; I245-L265 HydrophobicContact CG1-CG 3.84Å; I245-T270 PolarHBondContact N-O 3.44Å; I245-F271 HydrophobicContact CB-CD2 3.89Å; I245-F271 HydrophobicContact CB-CE2 4.29Å; I245-F271 HydrophobicContact CG2-CD2 3.82Å; I245-F271 HydrophobicContact CG2-CE2 3.69Å; I245-F271 CarbonylContact O-C 3.59Å; I245-F271 WeakPolarHBondContact O-CA 3.48Å; I245-F271 WeakPolarHBondContact O-CD2 3.41Å; I245-I272 PolarHBondContact O-N 2.84Å
246V98.7Very high95.5Very high0 Ų050.3 Ų50.30%028%0.277CS..EExtended strand (participates in β ladder)trans-126.8137.1175.862.70000110.1T165 L169 V179 L180 D181 V182 L189 I272T165-V246 HydrophobicContact CG2-CG2 3.37Å; L169-V246 HydrophobicContact CD1-CG2 4.47Å; L169-V246 HydrophobicContact CD2-CB 4.38Å; L169-V246 HydrophobicContact CD2-CG1 4.49Å; L169-V246 HydrophobicContact CD2-CG2 4.44Å; V179-V246 HydrophobicContact CG1-CG1 4.16Å; L180-V246 PolarHBondContact O-N 3.29Å; D181-V246 HydrophobicContact CB-CG1 3.92Å; V182-V246 PolarHBondContact N-O 2.79Å; L189-V246 HydrophobicContact CD1-CG2 3.98Å; V246-I272 CarbonylContact C-O 3.57Å; V246-I272 VanDerWaalsContact CA-O 3.27Å; V246-I272 WeakPolarHBondContact CA-O 3.19Å; V246-I272 HydrophobicContact CB-CB 4.29Å; V246-I272 HydrophobicContact CG2-CB 4.03Å; V246-I272 HydrophobicContact CG2-CG2 4.16Å
247A97.1Very high95.4Very high0 Ų046.4 Ų46.40%025%0.253CS..EExtended strand (participates in β ladder)trans-143.3117.1176.100000110.6V182 I249 M257 F271 I272 V273 S274V182-A247 HydrophobicContact CB-CB 4.21Å; V182-A247 WeakPolarHBondContact O-CA 3.43Å; A247-I249 HydrophobicContact CB-CD1 4.21Å; A247-I249 HydrophobicContact CB-CG1 4.28Å; A247-M257 HydrophobicContact CB-CE 4.24Å; A247-M257 HydrophobicContact CB-SD 4.08Å; A247-F271 HydrophobicContact CB-CE2 4.35Å; A247-I272 PolarHBondContact N-O 3.11Å; A247-V273 CarbonylContact O-C 3.31Å; A247-V273 WeakPolarHBondContact O-CA 3.27Å; A247-S274 PolarHBondContact O-N 2.74Å
248N94.9Very high95.5Very high20 Ų2043.3 Ų43.311%0.10722%0.22CC..EExtended strand (participates in β ladder)trans-110.572.8173.1-179.518.8000109.5T161 L189 G275T161-N248 WeakPolarHBondContact CB-OD1 3.45Å; T161-N248 PolarHBondContact OG1-ND2 2.79Å; T161-N248 PolarHBondContact OG1-OD1 2.87Å; T161-N248 VanDerWaalsContact OG1-OD1 3.1Å; L189-N248 HydrophobicContact CD1-CB 3.86Å; N248-G275 PolarHBondContact OD1-N 2.84Å
249I91.4Very high95.5Very high30 Ų3049.8 Ų49.815%0.15425%0.25CC..SBendtrans-136.8172.9-174.365-171.3000109.9L234 A247 I253 I254 M257 S274 G275L234-I249 HydrophobicContact CD2-CD1 3.9Å; A247-I249 HydrophobicContact CB-CD1 4.21Å; A247-I249 HydrophobicContact CB-CG1 4.28Å; I249-I253 HydrophobicContact CD1-CB 4.28Å; I249-I253 HydrophobicContact CD1-CG2 3.75Å; I249-I253 HydrophobicContact CG1-CB 4.43Å; I249-I253 HydrophobicContact CG1-CG2 4.4Å; I249-I254 HydrophobicContact CD1-CG1 4.28Å; I249-I254 HydrophobicContact CG1-CD1 4.37Å; I249-I254 HydrophobicContact CG1-CG1 3.61Å; I249-I254 VanDerWaalsContact O-CD1 3.3Å; I249-I254 WeakPolarHBondContact O-CD1 3.28Å; I249-M257 HydrophobicContact CD1-SD 3.93Å; I249-S274 PolarHBondContact N-O 2.83Å; I249-G275 WeakPolarHBondContact O-CA 3.38Å
250L89.8Confident95.6Very high114 Ų11443.5 Ų43.560%0.59722%0.222SC*.  trans-62.1142.2-176.8-61.3175.9000112.2D252 I253 I254L250-D252 VanDerWaalsContact C-N 3.29Å; L250-D252 PolarHBondContact O-N 2.75Å; L250-I253 HydrophobicContact CB-CG1 4.2Å; L250-I253 WeakPolarHBondContact O-CA 3.5Å; L250-I253 WeakPolarHBondContact O-CB 3.37Å; L250-I253 PolarHBondContact O-N 3.25Å; L250-I254 PolarHBondContact O-N 2.84Å
251A89.4Confident95.7Very high5 Ų539.4 Ų39.44%0.04120%0.202CC..Hα-helixtrans-48.4-45.4179.800000114I253 I254 V255 I276 K280 V284A251-I253 PolarHBondContact O-N 3.47Å; A251-I254 WeakPolarHBondContact O-CB 3.28Å; A251-I254 PolarHBondContact O-N 2.9Å; A251-V255 WeakPolarHBondContact O-CG2 3.31Å; A251-V255 PolarHBondContact O-N 3.31Å; A251-I276 HydrophobicContact CB-CG1 4.28Å; A251-I276 HydrophobicContact CB-CG2 4.49Å; A251-K280 HydrophobicContact CB-CB 3.66Å; A251-K280 HydrophobicContact CB-CG 4.1Å; A251-V284 HydrophobicContact CB-CG2 3.7Å
252D90Very high95.7Very high85 Ų8537.6 Ų37.646%0.45519%0.191SC..Hα-helixtrans-65.9-24.7-179.3-63.4-48.5000112.6L250 K280L250-D252 VanDerWaalsContact C-N 3.29Å; L250-D252 PolarHBondContact O-N 2.75Å; D252-K280 IonicContact OD1-NZ 3.53Å; D252-K280 PolarHBondContact OD1-NZ 3.02Å; D252-K280 IonicContact OD2-NZ 2.79Å; D252-K280 PolarHBondContact OD2-NZ 2.99Å
253I91.4Very high95.6Very high68 Ų6842.8 Ų42.835%0.34921%0.211SC..Hα-helixtrans-84.4-37.5175.8-53.7-58.2000110.9L234 I249 L250 A251 V255 L256L234-I253 HydrophobicContact CD1-CG2 4.15Å; L234-I253 HydrophobicContact CD2-CG2 3.67Å; L234-I253 HydrophobicContact CG-CG2 4.46Å; I249-I253 HydrophobicContact CD1-CB 4.28Å; I249-I253 HydrophobicContact CD1-CG2 3.75Å; I249-I253 HydrophobicContact CG1-CB 4.43Å; I249-I253 HydrophobicContact CG1-CG2 4.4Å; L250-I253 HydrophobicContact CB-CG1 4.2Å; L250-I253 WeakPolarHBondContact O-CA 3.5Å; L250-I253 WeakPolarHBondContact O-CB 3.37Å; L250-I253 PolarHBondContact O-N 3.25Å; A251-I253 PolarHBondContact O-N 3.47Å; I253-V255 PolarHBondContact O-N 3.36Å; I253-L256 HydrophobicContact CD1-CD1 4.28Å; I253-L256 WeakPolarHBondContact O-CB 3.31Å; I253-L256 PolarHBondContact O-N 2.89Å; I253-L256 VanDerWaalsContact O-N 3.08Å
254I94.9Very high95.6Very high0 Ų040.7 Ų40.70%020%0.2CC..Hα-helixtrans-54.3-44.9174.1-69.6164.8000110.5I249 L250 A251 L256 M257 I258 V273 S274 I276 V284 M288I249-I254 HydrophobicContact CD1-CG1 4.28Å; I249-I254 HydrophobicContact CG1-CD1 4.37Å; I249-I254 HydrophobicContact CG1-CG1 3.61Å; I249-I254 VanDerWaalsContact O-CD1 3.3Å; I249-I254 WeakPolarHBondContact O-CD1 3.28Å; L250-I254 PolarHBondContact O-N 2.84Å; A251-I254 WeakPolarHBondContact O-CB 3.28Å; A251-I254 PolarHBondContact O-N 2.9Å; I254-L256 PolarHBondContact O-N 3.15Å; I254-M257 WeakPolarHBondContact O-CG 3.05Å; I254-M257 PolarHBondContact O-N 3.43Å; I254-M257 VanDerWaalsContact O-N 3.08Å; I254-I258 PolarHBondContact O-N 3.18Å; I254-V273 HydrophobicContact CD1-CB 4Å; I254-V273 HydrophobicContact CD1-CG1 4.46Å; I254-V273 HydrophobicContact CG2-CB 4.35Å; I254-V273 HydrophobicContact CG2-CG1 3.86Å; I254-S274 WeakPolarHBondContact CD1-O 3.5Å; I254-I276 HydrophobicContact CD1-CD1 4.05Å; I254-I276 HydrophobicContact CD1-CG1 3.84Å; I254-V284 HydrophobicContact CG2-CG1 4.3Å; I254-M288 HydrophobicContact CG2-CE 3.62Å
255V96.2Very high95.6Very high38 Ų3840.5 Ų40.523%0.2320%0.198CC..G310 helixtrans-56.6-34.4-179.51730000112.1A251 I253 M257 I258 V284 E287A251-V255 WeakPolarHBondContact O-CG2 3.31Å; A251-V255 PolarHBondContact O-N 3.31Å; I253-V255 PolarHBondContact O-N 3.36Å; V255-M257 VanDerWaalsContact C-N 3.26Å; V255-M257 PolarHBondContact O-N 2.97Å; V255-I258 HydrophobicContact CG2-CD1 4.43Å; V255-I258 PolarHBondContact O-N 3.27Å; V255-V284 HydrophobicContact CG2-CG2 4.48Å; V255-E287 HydrophobicContact CG1-CG 3.96Å; V255-E287 HydrophobicContact CG2-CG 4.2Å
256L96Very high95.5Very high121 Ų12143.2 Ų43.263%0.63421%0.21SC*.G310 helixtrans-68.2-23.1-178.7-56.3178000113.6L234 I253 I254L234-L256 HydrophobicContact CD1-CB 3.99Å; I253-L256 HydrophobicContact CD1-CD1 4.28Å; I253-L256 WeakPolarHBondContact O-CB 3.31Å; I253-L256 PolarHBondContact O-N 2.89Å; I253-L256 VanDerWaalsContact O-N 3.08Å; I254-L256 PolarHBondContact O-N 3.15Å
257M96.3Very high95.4Very high0 Ų046.8 Ų46.80%023%0.233CC..G310 helixtrans-105.32.3-176.458.5174.3-68.500114.1V182 L234 L235 I245 A247 I249 I254 V255 E259 D260 A261 F271V182-M257 HydrophobicContact CB-CE 3.96Å; V182-M257 HydrophobicContact CB-SD 4.27Å; V182-M257 HydrophobicContact CG1-CE 4Å; V182-M257 HydrophobicContact CG1-SD 3.85Å; V182-M257 HydrophobicContact CG2-CE 3.77Å; L234-M257 HydrophobicContact CB-CB 4.27Å; L234-M257 HydrophobicContact CD1-CB 4.13Å; L234-M257 HydrophobicContact CD2-SD 4.24Å; L235-M257 HydrophobicContact CD1-CE 3.62Å; L235-M257 HydrophobicContact CG-CE 4.11Å; I245-M257 HydrophobicContact CG2-CE 4.2Å; A247-M257 HydrophobicContact CB-CE 4.24Å; A247-M257 HydrophobicContact CB-SD 4.08Å; I249-M257 HydrophobicContact CD1-SD 3.93Å; I254-M257 WeakPolarHBondContact O-CG 3.05Å; I254-M257 PolarHBondContact O-N 3.43Å; I254-M257 VanDerWaalsContact O-N 3.08Å; V255-M257 VanDerWaalsContact C-N 3.26Å; V255-M257 PolarHBondContact O-N 2.97Å; M257-E259 PolarHBondContact O-N 3.44Å; M257-D260 PolarHBondContact O-N 2.9Å; M257-A261 WeakPolarHBondContact O-CB 3.42Å; M257-A261 PolarHBondContact O-N 3.06Å; M257-F271 HydrophobicContact CE-CE2 4.03Å; M257-F271 HydrophobicContact CE-CZ 3.87Å
258I97.8Very high95.3Very high6 Ų650.7 Ų50.73%0.03125%0.254CS..Hα-helixtrans-59.4-43.9-175.3-73.1176.5000112I254 V255 A261 W262 E287 M288 Q291 F293I254-I258 PolarHBondContact O-N 3.18Å; V255-I258 HydrophobicContact CG2-CD1 4.43Å; V255-I258 PolarHBondContact O-N 3.27Å; I258-A261 PolarHBondContact O-N 3.49Å; I258-W262 WeakPolarHBondContact O-CB 3.27Å; I258-W262 PolarHBondContact O-N 3.34Å; I258-E287 HydrophobicContact CD1-CB 3.56Å; I258-M288 HydrophobicContact CD1-CE 3.8Å; I258-M288 HydrophobicContact CD1-CG 4.19Å; I258-M288 HydrophobicContact CD1-SD 3.84Å; I258-M288 HydrophobicContact CG1-CE 3.78Å; I258-M288 HydrophobicContact CG1-SD 3.88Å; I258-M288 HydrophobicContact CG2-SD 4.42Å; I258-Q291 HydrophobicContact CG2-CB 3.48Å; I258-Q291 VanDerWaalsContact CG2-CB 3.48Å; I258-Q291 HydrophobicContact CG2-CG 3.62Å; I258-F293 HydrophobicContact CG2-CD2 4.47Å; I258-F293 HydrophobicContact CG2-CE2 4.2Å
259E97.3Very high95.4Very high146 Ų14649.9 Ų49.968%0.68225%0.251SS*.Hα-helixtrans-65.5-42.5179.4-173.3178.1174.800111.6M257 W262 R263M257-E259 PolarHBondContact O-N 3.44Å; E259-W262 PolarHBondContact O-N 3.01Å; E259-R263 WeakPolarHBondContact O-CB 3.43Å; E259-R263 PolarHBondContact O-N 3.32Å
260D97.8Very high95.8Very high41 Ų4149 Ų4922%0.21925%0.247CC..Hα-helixtrans-66.2-41.9175.7-80.3-45.3000112L235 M257 W262 R263 L264L235-D260 HydrophobicContact CB-CB 3.7Å; L235-D260 HydrophobicContact CD1-CB 4.13Å; M257-D260 PolarHBondContact O-N 2.9Å; D260-W262 VanDerWaalsContact C-N 3.32Å; D260-W262 PolarHBondContact O-N 3.12Å; D260-R263 PolarHBondContact O-N 3.24Å; D260-R263 IonicContact OD1-CZ 2.85Å; D260-R263 IonicContact OD1-NE 2.69Å; D260-R263 PolarHBondContact OD1-NE 2.75Å; D260-R263 IonicContact OD1-NH2 2.6Å; D260-R263 PolarHBondContact OD1-NH2 2.97Å; D260-L264 WeakPolarHBondContact O-CB 3.33Å; D260-L264 VanDerWaalsContact O-CG 3.31Å; D260-L264 WeakPolarHBondContact O-CG 3.15Å; D260-L264 PolarHBondContact O-N 3.42Å
261A98.2Very high96.2Very high0 Ų043.6 Ų43.60%022%0.218CC..Hα-helixtrans-61.4-42.417600000111.1L235 I245 M257 I258 R263 L264 L265 F271 F293L235-A261 HydrophobicContact CD1-CB 4.21Å; I245-A261 HydrophobicContact CD1-CB 4.09Å; M257-A261 WeakPolarHBondContact O-CB 3.42Å; M257-A261 PolarHBondContact O-N 3.06Å; I258-A261 PolarHBondContact O-N 3.49Å; A261-R263 PolarHBondContact O-N 2.68Å; A261-L264 PolarHBondContact O-N 3.33Å; A261-L265 WeakPolarHBondContact O-CB 3.3Å; A261-L265 WeakPolarHBondContact O-CG 3.4Å; A261-L265 PolarHBondContact O-N 3.41Å; A261-F271 HydrophobicContact CB-CD1 4.07Å; A261-F271 HydrophobicContact CB-CE1 3.69Å; A261-F271 HydrophobicContact CB-CE2 4.31Å; A261-F271 HydrophobicContact CB-CZ 3.83Å; A261-F293 HydrophobicContact CB-CZ 4.45Å
262W97.8Very high96.6Very high65 Ų6543.3 Ų43.325%0.24622%0.216CC..Hα-helixtrans-61.3-43.6174.4-179.6-93.5000112.3I258 E259 D260 Q291 G292 F293 K311I258-W262 WeakPolarHBondContact O-CB 3.27Å; I258-W262 PolarHBondContact O-N 3.34Å; E259-W262 PolarHBondContact O-N 3.01Å; D260-W262 VanDerWaalsContact C-N 3.32Å; D260-W262 PolarHBondContact O-N 3.12Å; W262-Q291 HydrophobicContact CB-CG 3.6Å; W262-Q291 VanDerWaalsContact CD1-NE2 3.3Å; W262-Q291 HydrophobicContact CD2-CG 3.93Å; W262-Q291 HydrophobicContact CE3-CG 4.02Å; W262-Q291 HydrophobicContact CG-CG 3.76Å; W262-Q291 VanDerWaalsContact CG-NE2 3.26Å; W262-G292 WeakPolarHBondContact CH2-O 3.25Å; W262-G292 VanDerWaalsContact CZ3-O 3.31Å; W262-G292 WeakPolarHBondContact CZ3-O 3.49Å; W262-F293 HydrophobicContact CB-CE2 4.1Å; W262-F293 HydrophobicContact CB-CZ 4.13Å; W262-F293 HydrophobicContact CE3-CD1 4.07Å; W262-F293 AromaticContact CE3-CD2 3.97Å; W262-F293 HydrophobicContact CE3-CD2 3.97Å; W262-F293 AromaticContact CE3-CE1 3.93Å; W262-F293 HydrophobicContact CE3-CE1 3.93Å; W262-F293 AromaticContact CE3-CE2 3.83Å; W262-F293 HydrophobicContact CE3-CE2 3.83Å; W262-F293 HydrophobicContact CE3-CG 4.09Å; W262-F293 AromaticContact CE3-CZ 3.81Å; W262-F293 HydrophobicContact CE3-CZ 3.81Å; W262-F293 HydrophobicContact CZ3-CD1 4.17Å; W262-F293 HydrophobicContact CZ3-CD2 4.48Å; W262-F293 HydrophobicContact CZ3-CE1 4.41Å; W262-F293 HydrophobicContact CZ3-CG 4.21Å; W262-K311 HydrophobicContact CD2-CD 4.36Å; W262-K311 HydrophobicContact CE3-CD 4.33Å; W262-K311 HydrophobicContact CE3-CG 4.14Å; W262-K311 HydrophobicContact CH2-CG 3.94Å; W262-K311 HydrophobicContact CZ2-CG 4.35Å; W262-K311 HydrophobicContact CZ3-CB 4.28Å; W262-K311 HydrophobicContact CZ3-CD 4.46Å; W262-K311 HydrophobicContact CZ3-CG 3.81Å; W262-K311 PolarHBondContact O-NZ 3.11Å
263R97.4Very high97Very high109 Ų10939.3 Ų39.341%0.41120%0.195SC..Hα-helixtrans-64.5-39.3178178.8179.459.877.4-1.2112.3V238 E259 D260 A261V238-R263 PolarHBondContact O-NH1 2.96Å; V238-R263 PolarHBondContact O-NH2 3.39Å; V238-R263 VanDerWaalsContact O-NH2 3.1Å; E259-R263 WeakPolarHBondContact O-CB 3.43Å; E259-R263 PolarHBondContact O-N 3.32Å; D260-R263 PolarHBondContact O-N 3.24Å; D260-R263 IonicContact OD1-CZ 2.85Å; D260-R263 IonicContact OD1-NE 2.69Å; D260-R263 PolarHBondContact OD1-NE 2.75Å; D260-R263 IonicContact OD1-NH2 2.6Å; D260-R263 PolarHBondContact OD1-NH2 2.97Å; A261-R263 PolarHBondContact O-N 2.68Å
264L98.2Very high97.2Very high2 Ų236 Ų361%0.0118%0.178CC..Hα-helixtrans-89.1-20.2-173.1-70.5167.8000114L180 L235 V238 Q240 E241 A242 I245 D260 A261L180-L264 HydrophobicContact CD1-CB 4.34Å; L180-L264 HydrophobicContact CD1-CD1 4.24Å; L235-L264 HydrophobicContact CB-CD1 3.87Å; L235-L264 HydrophobicContact CD1-CD1 3.95Å; L235-L264 HydrophobicContact CD2-CD1 4.09Å; L235-L264 HydrophobicContact CG-CD1 4.19Å; V238-L264 HydrophobicContact CB-CD1 3.94Å; V238-L264 HydrophobicContact CG1-CD1 3.91Å; V238-L264 HydrophobicContact CG1-CD2 4.21Å; V238-L264 WeakPolarHBondContact O-CD2 3.18Å; Q240-L264 WeakPolarHBondContact O-CD2 3.03Å; E241-L264 CarbonylContact C-O 3.55Å; E241-L264 WeakPolarHBondContact CA-O 3.44Å; A242-L264 PolarHBondContact N-O 2.94Å; I245-L264 HydrophobicContact CD1-CB 3.98Å; D260-L264 WeakPolarHBondContact O-CB 3.33Å; D260-L264 VanDerWaalsContact O-CG 3.31Å; D260-L264 WeakPolarHBondContact O-CG 3.15Å; D260-L264 PolarHBondContact O-N 3.42Å; A261-L264 PolarHBondContact O-N 3.33Å
265L98.3Very high97Very high0 Ų036.4 Ų36.40%018%0.182CC..EExtended strand (participates in β ladder)trans-73.7130.8172.9-80165.9000111.1I245 A261 T270 F271 F293 K311I245-L265 HydrophobicContact CB-CD2 4.27Å; I245-L265 HydrophobicContact CB-CG 4.46Å; I245-L265 HydrophobicContact CD1-CD1 4.28Å; I245-L265 HydrophobicContact CD1-CD2 4.13Å; I245-L265 HydrophobicContact CD1-CG 3.68Å; I245-L265 HydrophobicContact CG1-CD1 4.44Å; I245-L265 HydrophobicContact CG1-CD2 3.71Å; I245-L265 HydrophobicContact CG1-CG 3.84Å; A261-L265 WeakPolarHBondContact O-CB 3.3Å; A261-L265 WeakPolarHBondContact O-CG 3.4Å; A261-L265 PolarHBondContact O-N 3.41Å; L265-T270 WeakPolarHBondContact CD2-O 3.35Å; L265-F271 HydrophobicContact CD1-CB 3.69Å; L265-F271 HydrophobicContact CD1-CG 4.31Å; L265-F293 HydrophobicContact CD1-CE1 3.63Å; L265-F293 HydrophobicContact CD1-CZ 3.91Å; L265-K311 HydrophobicContact CB-CB 4.48Å; L265-K311 HydrophobicContact CB-CD 3.97Å; L265-K311 WeakPolarHBondContact O-CD 3.12Å; L265-K311 PolarHBondContact O-NZ 2.66Å
266K97.5Very high96.7Very high58 Ų5834.6 Ų34.625%0.25217%0.171SC..EExtended strand (participates in β ladder)trans-61.9159.6167.9-64.3-179.8-160.9159.40110.6E241 A242 D243 D268 G269E241-K266 HydrophobicContact CB-CG 4.03Å; A242-K266 PolarHBondContact O-N 2.91Å; D243-K266 WeakPolarHBondContact OD1-CD 3.44Å; D243-K266 IonicContact OD1-NZ 3.19Å; D243-K266 PolarHBondContact OD1-NZ 3.34Å; D243-K266 IonicContact OD2-NZ 2.95Å; D243-K266 PolarHBondContact OD2-NZ 3.27Å; K266-D268 PolarHBondContact O-N 3.36Å; K266-G269 WeakPolarHBondContact O-CA 3.48Å; K266-G269 PolarHBondContact O-N 2.99Å
267P95.3Very high96.3Very high74 Ų7432 Ų3248%0.48116%0.157SC..EExtended strand (participates in β ladder)trans-52.3138.8166.4-24.534.8000111.2G269P267-G269 PolarHBondContact O-N 3.26Å
268D95.4Very high96.1Very high83 Ų8336.8 Ų36.844%0.44418%0.179SC..EExtended strand (participates in β ladder)trans61.210.8-169.5-164.231.4000115.2K266 K310 K311 E313K266-D268 PolarHBondContact O-N 3.36Å; D268-K310 PolarHBondContact O-NZ 3.38Å; D268-K310 IonicContact OD1-NZ 2.71Å; D268-K310 PolarHBondContact OD1-NZ 3.23Å; D268-K310 IonicContact OD2-NZ 2.75Å; D268-K311 WeakPolarHBondContact CA-O 3.18Å; D268-K311 PolarHBondContact N-O 3.04Å; D268-E313 HydrophobicContact CB-CG 3.97Å
269G97.9Very high95.7Very high3 Ų343.5 Ų43.53%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-64.7155.8174.800000112.7D243 K266 P267 K311D243-G269 CarbonylContact O-C 3.55Å; D243-G269 VanDerWaalsContact O-CA 3.31Å; D243-G269 WeakPolarHBondContact O-CA 3.42Å; K266-G269 WeakPolarHBondContact O-CA 3.48Å; K266-G269 PolarHBondContact O-N 2.99Å; P267-G269 PolarHBondContact O-N 3.26Å; G269-K311 PolarHBondContact O-N 2.88Å
270T98.6Very high95.5Very high11 Ų1139.2 Ų39.27%0.06719%0.194CC..EExtended strand (participates in β ladder)trans-113.1129.1-176.4-52.20000111.5V172 D243 V244 I245 L265 I272 I308 L309V172-T270 HydrophobicContact CG1-CG2 3.82Å; V172-T270 HydrophobicContact CG2-CG2 3.93Å; D243-T270 PolarHBondContact O-N 3.08Å; V244-T270 CarbonylContact C-O 3.59Å; V244-T270 VanDerWaalsContact CA-O 3.28Å; V244-T270 WeakPolarHBondContact CA-O 3.46Å; I245-T270 PolarHBondContact N-O 3.44Å; L265-T270 WeakPolarHBondContact CD2-O 3.35Å; T270-I272 HydrophobicContact CG2-CG1 4.06Å; T270-I308 HydrophobicContact CG2-CG2 3.5Å; T270-I308 VanDerWaalsContact CG2-CG2 3.5Å; T270-L309 CarbonylContact C-O 3.45Å; T270-L309 WeakPolarHBondContact CA-O 3.49Å
271F98.6Very high95.4Very high0 Ų039.4 Ų39.40%019%0.193CC..EExtended strand (participates in β ladder)trans-106.2120.8170.2-166.5-167.6000109.6I245 A247 M257 A261 L265 V273 M288 F293 L309I245-F271 HydrophobicContact CB-CD2 3.89Å; I245-F271 HydrophobicContact CB-CE2 4.29Å; I245-F271 HydrophobicContact CG2-CD2 3.82Å; I245-F271 HydrophobicContact CG2-CE2 3.69Å; I245-F271 CarbonylContact O-C 3.59Å; I245-F271 WeakPolarHBondContact O-CA 3.48Å; I245-F271 WeakPolarHBondContact O-CD2 3.41Å; A247-F271 HydrophobicContact CB-CE2 4.35Å; M257-F271 HydrophobicContact CE-CE2 4.03Å; M257-F271 HydrophobicContact CE-CZ 3.87Å; A261-F271 HydrophobicContact CB-CD1 4.07Å; A261-F271 HydrophobicContact CB-CE1 3.69Å; A261-F271 HydrophobicContact CB-CE2 4.31Å; A261-F271 HydrophobicContact CB-CZ 3.83Å; L265-F271 HydrophobicContact CD1-CB 3.69Å; L265-F271 HydrophobicContact CD1-CG 4.31Å; F271-V273 HydrophobicContact CD1-CG1 4.14Å; F271-V273 HydrophobicContact CD2-CG1 3.85Å; F271-V273 HydrophobicContact CE1-CG1 3.75Å; F271-V273 HydrophobicContact CE2-CG1 3.4Å; F271-V273 HydrophobicContact CG-CG1 4.2Å; F271-V273 HydrophobicContact CZ-CG1 3.33Å; F271-M288 HydrophobicContact CD1-CE 4Å; F271-M288 HydrophobicContact CD1-SD 3.95Å; F271-M288 HydrophobicContact CE1-CE 3.54Å; F271-M288 HydrophobicContact CE1-SD 3.92Å; F271-M288 HydrophobicContact CZ-CE 4.35Å; F271-F293 HydrophobicContact CB-CD1 4.5Å; F271-F293 HydrophobicContact CB-CE1 3.97Å; F271-F293 HydrophobicContact CB-CZ 4.35Å; F271-F293 HydrophobicContact CD1-CE1 4.22Å; F271-F293 HydrophobicContact CD1-CE2 4.05Å; F271-F293 AromaticContact CD1-CZ 3.82Å; F271-F293 HydrophobicContact CD1-CZ 3.82Å; F271-F293 HydrophobicContact CG-CZ 4.47Å; F271-L309 HydrophobicContact CB-CB 4.3Å; F271-L309 PolarHBondContact N-O 3.37Å; F271-L309 PolarHBondContact O-N 3.42Å
272I98.7Very high95.3Very high0 Ų044.8 Ų44.80%022%0.222CC..EExtended strand (participates in β ladder)trans-109120.1176.2-53.7176.4000108.1T165 A168 L169 V172 V244 I245 V246 A247 T270 I307 I308T165-I272 HydrophobicContact CG2-CG2 4.17Å; A168-I272 HydrophobicContact CB-CD1 4.3Å; A168-I272 HydrophobicContact CB-CG2 3.68Å; L169-I272 HydrophobicContact CD2-CD1 3.78Å; L169-I272 HydrophobicContact CG-CD1 4.15Å; V172-I272 HydrophobicContact CB-CD1 4.05Å; V172-I272 HydrophobicContact CG1-CD1 4.33Å; V172-I272 HydrophobicContact CG2-CD1 3.82Å; V172-I272 HydrophobicContact CG2-CG1 4.38Å; V244-I272 HydrophobicContact CG1-CD1 4.13Å; V244-I272 HydrophobicContact CG1-CG1 4.43Å; I245-I272 PolarHBondContact O-N 2.84Å; V246-I272 CarbonylContact C-O 3.57Å; V246-I272 VanDerWaalsContact CA-O 3.27Å; V246-I272 WeakPolarHBondContact CA-O 3.19Å; V246-I272 HydrophobicContact CB-CB 4.29Å; V246-I272 HydrophobicContact CG2-CB 4.03Å; V246-I272 HydrophobicContact CG2-CG2 4.16Å; A247-I272 PolarHBondContact N-O 3.11Å; T270-I272 HydrophobicContact CG2-CG1 4.06Å; I272-I307 WeakPolarHBondContact CA-O 3.48Å; I272-I308 HydrophobicContact CG1-CG1 4.41Å
273V98.2Very high95.2Very high0 Ų045 Ų450%023%0.227CC..EExtended strand (participates in β ladder)trans-121142.8176.4-63.80000111A247 I254 F271 I276 M288 A306 I307 L309A247-V273 CarbonylContact O-C 3.31Å; A247-V273 WeakPolarHBondContact O-CA 3.27Å; I254-V273 HydrophobicContact CD1-CB 4Å; I254-V273 HydrophobicContact CD1-CG1 4.46Å; I254-V273 HydrophobicContact CG2-CB 4.35Å; I254-V273 HydrophobicContact CG2-CG1 3.86Å; F271-V273 HydrophobicContact CD1-CG1 4.14Å; F271-V273 HydrophobicContact CD2-CG1 3.85Å; F271-V273 HydrophobicContact CE1-CG1 3.75Å; F271-V273 HydrophobicContact CE2-CG1 3.4Å; F271-V273 HydrophobicContact CG-CG1 4.2Å; F271-V273 HydrophobicContact CZ-CG1 3.33Å; V273-I276 HydrophobicContact CB-CD1 4.28Å; V273-I276 HydrophobicContact CG2-CD1 3.76Å; V273-M288 HydrophobicContact CG1-CE 3.95Å; V273-M288 HydrophobicContact CG2-CE 4.22Å; V273-A306 CarbonylContact O-C 3.57Å; V273-A306 WeakPolarHBondContact O-CA 3.43Å; V273-I307 HydrophobicContact CG2-CB 3.9Å; V273-I307 HydrophobicContact CG2-CG1 4.48Å; V273-I307 PolarHBondContact N-O 2.85Å; V273-I307 PolarHBondContact O-N 2.94Å; V273-L309 HydrophobicContact CG2-CD1 3.78Å
274S96Very high95.2Very high0 Ų039.8 Ų39.80%021%0.207CC..EExtended strand (participates in β ladder)trans-148179.5175.8-169.10000109.5T161 T165 A247 I249 I254 F305T161-S274 WeakPolarHBondContact CB-OG 3.35Å; T161-S274 PolarHBondContact O-OG 2.66Å; T161-S274 VanDerWaalsContact O-OG 3.13Å; T165-S274 WeakPolarHBondContact OG1-CB 3.14Å; T165-S274 PolarHBondContact OG1-OG 3.11Å; A247-S274 PolarHBondContact O-N 2.74Å; I249-S274 PolarHBondContact N-O 2.83Å; I254-S274 WeakPolarHBondContact CD1-O 3.5Å; S274-F305 WeakPolarHBondContact CA-O 3.21Å; S274-F305 PolarHBondContact OG-O 2.95Å
275G89.5Confident95.1Very high8 Ų840.4 Ų40.48%0.08221%0.21CC..EExtended strand (participates in β ladder)trans83.420.5-170.300000112.8N248 I249N248-G275 PolarHBondContact OD1-N 2.84Å; I249-G275 WeakPolarHBondContact O-CA 3.38Å
276I89.9Confident95.1Very high0 Ų046.7 Ų46.70%024%0.24CC..EExtended strand (participates in β ladder)trans-106.3122.4-177.5-57.6167.1000108.7A251 I254 V273 K280 K281 V284 W304 F305 I307A251-I276 HydrophobicContact CB-CG1 4.28Å; A251-I276 HydrophobicContact CB-CG2 4.49Å; I254-I276 HydrophobicContact CD1-CD1 4.05Å; I254-I276 HydrophobicContact CD1-CG1 3.84Å; V273-I276 HydrophobicContact CB-CD1 4.28Å; V273-I276 HydrophobicContact CG2-CD1 3.76Å; I276-K280 HydrophobicContact CG2-CB 4.3Å; I276-K281 HydrophobicContact CG2-CB 4.11Å; I276-V284 HydrophobicContact CD1-CB 4.28Å; I276-V284 HydrophobicContact CD1-CG1 3.87Å; I276-V284 HydrophobicContact CD1-CG2 4.22Å; I276-V284 HydrophobicContact CG1-CG2 4.37Å; I276-V284 HydrophobicContact CG2-CG2 4.4Å; I276-W304 CarbonylContact O-C 3.45Å; I276-W304 WeakPolarHBondContact O-CA 3.42Å; I276-F305 HydrophobicContact CB-CB 4.43Å; I276-F305 PolarHBondContact O-N 3.29Å; I276-I307 HydrophobicContact CD1-CD1 3.97Å; I276-I307 HydrophobicContact CD1-CG1 4.5Å
277I88.8Confident95.2Very high66 Ų6648 Ų4834%0.33825%0.246SC..EExtended strand (participates in β ladder)trans-84.9160.4171.160.1174.2000111.2D279 K280 K281 D303 W304I277-D279 VanDerWaalsContact C-N 3.31Å; I277-D279 HydrophobicContact CD1-CB 4.4Å; I277-D279 PolarHBondContact O-N 2.77Å; I277-K280 HydrophobicContact CD1-CG 4.19Å; I277-K280 HydrophobicContact CG1-CB 4.05Å; I277-K280 HydrophobicContact CG1-CG 3.78Å; I277-K280 PolarHBondContact O-N 2.95Å; I277-K281 PolarHBondContact O-N 2.65Å; I277-K281 VanDerWaalsContact O-N 3.16Å; I277-D303 CarbonylContact C-O 3.57Å; I277-D303 VanDerWaalsContact CA-O 3.3Å; I277-D303 WeakPolarHBondContact CA-O 3.34Å; I277-W304 HydrophobicContact CG2-CD2 4.08Å; I277-W304 HydrophobicContact CG2-CE3 3.62Å; I277-W304 HydrophobicContact CG2-CH2 3.56Å; I277-W304 HydrophobicContact CG2-CZ2 3.99Å; I277-W304 HydrophobicContact CG2-CZ3 3.36Å
278E90.1Very high95.3Very high100 Ų10044.4 Ų44.447%0.46722%0.223SC..Hα-helixtrans-48.1-48.8-179.1-169.6159.6-146.100113.4K280 K281 D303 F305E278-K280 PolarHBondContact O-N 2.99Å; E278-K280 VanDerWaalsContact O-N 3.11Å; E278-K281 WeakPolarHBondContact O-CB 3.28Å; E278-K281 PolarHBondContact O-N 2.79Å; E278-K281 VanDerWaalsContact O-N 3.17Å; E278-D303 PolarHBondContact N-O 2.84Å; E278-F305 VanDerWaalsContact CA-CE2 3.45Å; E278-F305 HydrophobicContact CB-CE2 3.75Å; E278-F305 HydrophobicContact CB-CZ 4.4Å; E278-F305 HydrophobicContact CG-CE2 4.14Å; E278-F305 HydrophobicContact CG-CZ 4.32Å
279D91.2Very high95.4Very high147 Ų14746.4 Ų46.479%0.78623%0.226SC*.Hα-helixtrans-61.5-21.4-179.1-73-1.9000114.5I277I277-D279 VanDerWaalsContact C-N 3.31Å; I277-D279 HydrophobicContact CD1-CB 4.4Å; I277-D279 PolarHBondContact O-N 2.77Å
280K91.9Very high95.3Very high57 Ų5751.4 Ų51.425%0.24826%0.256CS..Hα-helixtrans-103.8-12.6-178-67.7-71-166.6156.50112.9A251 D252 I276 I277 E278 D282 M283 V284A251-K280 HydrophobicContact CB-CB 3.66Å; A251-K280 HydrophobicContact CB-CG 4.1Å; D252-K280 IonicContact OD1-NZ 3.53Å; D252-K280 PolarHBondContact OD1-NZ 3.02Å; D252-K280 IonicContact OD2-NZ 2.79Å; D252-K280 PolarHBondContact OD2-NZ 2.99Å; I276-K280 HydrophobicContact CG2-CB 4.3Å; I277-K280 HydrophobicContact CD1-CG 4.19Å; I277-K280 HydrophobicContact CG1-CB 4.05Å; I277-K280 HydrophobicContact CG1-CG 3.78Å; I277-K280 PolarHBondContact O-N 2.95Å; E278-K280 PolarHBondContact O-N 2.99Å; E278-K280 VanDerWaalsContact O-N 3.11Å; K280-D282 PolarHBondContact O-N 3.06Å; K280-M283 HydrophobicContact CD-CE 3.45Å; K280-M283 VanDerWaalsContact CD-CE 3.45Å; K280-M283 HydrophobicContact CD-SD 4.44Å; K280-M283 PolarHBondContact O-N 3.38Å; K280-V284 WeakPolarHBondContact O-CG2 3.41Å; K280-V284 PolarHBondContact O-N 3.2Å; K280-V284 VanDerWaalsContact O-N 3.11Å
281K95.6Very high95.3Very high45 Ų4553.8 Ų53.820%0.19627%0.266CS..Hα-helixtrans-57.8-49.8-173.8-171.8-166.576.6-160.70112.5I276 I277 E278 M283 V284 L285 F305 I307I276-K281 HydrophobicContact CG2-CB 4.11Å; I277-K281 PolarHBondContact O-N 2.65Å; I277-K281 VanDerWaalsContact O-N 3.16Å; E278-K281 WeakPolarHBondContact O-CB 3.28Å; E278-K281 PolarHBondContact O-N 2.79Å; E278-K281 VanDerWaalsContact O-N 3.17Å; K281-M283 VanDerWaalsContact C-N 3.32Å; K281-M283 PolarHBondContact O-N 2.97Å; K281-V284 PolarHBondContact O-N 3.1Å; K281-L285 HydrophobicContact CG-CD1 4.18Å; K281-L285 WeakPolarHBondContact O-CG 3.27Å; K281-L285 PolarHBondContact O-N 3.36Å; K281-F305 HydrophobicContact CB-CD2 4.46Å; K281-F305 HydrophobicContact CD-CD1 3.67Å; K281-F305 HydrophobicContact CD-CD2 4.24Å; K281-F305 HydrophobicContact CD-CE1 3.7Å; K281-F305 HydrophobicContact CD-CE2 4.3Å; K281-F305 HydrophobicContact CD-CG 3.94Å; K281-F305 HydrophobicContact CD-CZ 4.03Å; K281-F305 HydrophobicContact CG-CD1 4.47Å; K281-F305 HydrophobicContact CG-CG 4.3Å; K281-I307 HydrophobicContact CG-CD1 4.29Å
282D96.3Very high95.2Very high112 Ų11255.2 Ų55.260%0.59928%0.281SS*.Hα-helixtrans-67.3-35.1-175.2-68.7-10.4000111.9K280 L285 E286K280-D282 PolarHBondContact O-N 3.06Å; D282-L285 PolarHBondContact O-N 3.33Å; D282-E286 PolarHBondContact O-N 3.02Å
283M96.4Very high95.2Very high70 Ų7055.4 Ų55.435%0.34528%0.281SS..Hα-helixtrans-61.8-48.9172.8179.6-144.6-62.800111.4K280 K281 L285 E286 E287K280-M283 HydrophobicContact CD-CE 3.45Å; K280-M283 VanDerWaalsContact CD-CE 3.45Å; K280-M283 HydrophobicContact CD-SD 4.44Å; K280-M283 PolarHBondContact O-N 3.38Å; K281-M283 VanDerWaalsContact C-N 3.32Å; K281-M283 PolarHBondContact O-N 2.97Å; M283-L285 VanDerWaalsContact C-N 3.31Å; M283-L285 PolarHBondContact O-N 2.93Å; M283-E286 PolarHBondContact O-N 3.31Å; M283-E287 PolarHBondContact O-N 3.13Å
284V96.3Very high95.2Very high0 Ų061.1 Ų61.10%031%0.308CS..Hα-helixtrans-61.8-42.9179175.50000110.4A251 I254 V255 I276 K280 K281 E286 E287 M288A251-V284 HydrophobicContact CB-CG2 3.7Å; I254-V284 HydrophobicContact CG2-CG1 4.3Å; V255-V284 HydrophobicContact CG2-CG2 4.48Å; I276-V284 HydrophobicContact CD1-CB 4.28Å; I276-V284 HydrophobicContact CD1-CG1 3.87Å; I276-V284 HydrophobicContact CD1-CG2 4.22Å; I276-V284 HydrophobicContact CG1-CG2 4.37Å; I276-V284 HydrophobicContact CG2-CG2 4.4Å; K280-V284 WeakPolarHBondContact O-CG2 3.41Å; K280-V284 PolarHBondContact O-N 3.2Å; K280-V284 VanDerWaalsContact O-N 3.11Å; K281-V284 PolarHBondContact O-N 3.1Å; V284-E286 PolarHBondContact O-N 3.37Å; V284-E287 PolarHBondContact O-N 3.42Å; V284-M288 HydrophobicContact CG1-CE 3.88Å; V284-M288 HydrophobicContact CG1-CG 4.22Å; V284-M288 WeakPolarHBondContact O-CG 3.26Å; V284-M288 PolarHBondContact O-N 2.83Å
285L97.9Very high95.3Very high15 Ų1563.3 Ų63.38%0.07932%0.321CS..Hα-helixtrans-62-41.3178.1-73.1177.7000112.6K281 D282 M283 E287 M288 Y289 V295 I298 I307K281-L285 HydrophobicContact CG-CD1 4.18Å; K281-L285 WeakPolarHBondContact O-CG 3.27Å; K281-L285 PolarHBondContact O-N 3.36Å; D282-L285 PolarHBondContact O-N 3.33Å; M283-L285 VanDerWaalsContact C-N 3.31Å; M283-L285 PolarHBondContact O-N 2.93Å; L285-E287 PolarHBondContact O-N 3.39Å; L285-M288 PolarHBondContact O-N 2.98Å; L285-Y289 HydrophobicContact CB-CD2 4.41Å; L285-Y289 HydrophobicContact CB-CE2 3.9Å; L285-Y289 WeakPolarHBondContact O-CD2 3.49Å; L285-Y289 PolarHBondContact O-N 2.79Å; L285-V295 HydrophobicContact CD2-CG2 3.52Å; L285-I298 HydrophobicContact CD1-CD1 4.44Å; L285-I307 HydrophobicContact CD2-CD1 3.89Å; L285-I307 HydrophobicContact CD2-CG2 4.25Å; L285-I307 HydrophobicContact CG-CD1 4.24Å
286E98Very high95.6Very high132 Ų13267.2 Ų67.262%0.61734%0.341SS*.Hα-helixtrans-60.3-44.1177.8-174.9171.8-162.600112.2D282 M283 V284 Y289 T290D282-E286 PolarHBondContact O-N 3.02Å; M283-E286 PolarHBondContact O-N 3.31Å; V284-E286 PolarHBondContact O-N 3.37Å; E286-Y289 PolarHBondContact O-N 3.4Å; E286-T290 WeakPolarHBondContact O-CB 3.44Å; E286-T290 PolarHBondContact O-N 3.08Å; E286-T290 PolarHBondContact O-OG1 2.9Å
287E97.9Very high96Very high84 Ų8472.8 Ų72.839%0.39336%0.361SS..Hα-helixtrans-66.4-40.7176.8-65.9-65.6162.800111.8V255 I258 M283 V284 L285 T290 Q291V255-E287 HydrophobicContact CG1-CG 3.96Å; V255-E287 HydrophobicContact CG2-CG 4.2Å; I258-E287 HydrophobicContact CD1-CB 3.56Å; M283-E287 PolarHBondContact O-N 3.13Å; V284-E287 PolarHBondContact O-N 3.42Å; L285-E287 PolarHBondContact O-N 3.39Å; E287-T290 PolarHBondContact O-N 2.7Å; E287-Q291 PolarHBondContact O-N 2.94Å
288M97.7Very high96.4Very high0 Ų073.2 Ų73.20%036%0.364CS..Hα-helixtrans-61.4-46.2175.6-67.8-70179.600112I254 I258 F271 V273 V284 L285 T290 Q291 G292 F293 L309I254-M288 HydrophobicContact CG2-CE 3.62Å; I258-M288 HydrophobicContact CD1-CE 3.8Å; I258-M288 HydrophobicContact CD1-CG 4.19Å; I258-M288 HydrophobicContact CD1-SD 3.84Å; I258-M288 HydrophobicContact CG1-CE 3.78Å; I258-M288 HydrophobicContact CG1-SD 3.88Å; I258-M288 HydrophobicContact CG2-SD 4.42Å; F271-M288 HydrophobicContact CD1-CE 4Å; F271-M288 HydrophobicContact CD1-SD 3.95Å; F271-M288 HydrophobicContact CE1-CE 3.54Å; F271-M288 HydrophobicContact CE1-SD 3.92Å; F271-M288 HydrophobicContact CZ-CE 4.35Å; V273-M288 HydrophobicContact CG1-CE 3.95Å; V273-M288 HydrophobicContact CG2-CE 4.22Å; V284-M288 HydrophobicContact CG1-CE 3.88Å; V284-M288 HydrophobicContact CG1-CG 4.22Å; V284-M288 WeakPolarHBondContact O-CG 3.26Å; V284-M288 PolarHBondContact O-N 2.83Å; L285-M288 PolarHBondContact O-N 2.98Å; M288-T290 VanDerWaalsContact C-N 3.31Å; M288-T290 PolarHBondContact O-N 3.04Å; M288-Q291 PolarHBondContact O-N 3.31Å; M288-G292 PolarHBondContact O-N 2.84Å; M288-G292 VanDerWaalsContact O-N 3.08Å; M288-F293 HydrophobicContact CB-CB 4.16Å; M288-F293 WeakPolarHBondContact O-CB 3.37Å; M288-F293 PolarHBondContact O-N 2.83Å; M288-F293 HydrophobicContact SD-CD2 3.78Å; M288-F293 HydrophobicContact SD-CE2 4.21Å; M288-F293 HydrophobicContact SD-CG 4.39Å; M288-L309 HydrophobicContact CB-CD2 3.52Å; M288-L309 HydrophobicContact CE-CD1 4.39Å; M288-L309 HydrophobicContact CG-CD2 3.58Å; M288-L309 HydrophobicContact SD-CD1 4.3Å; M288-L309 HydrophobicContact SD-CD2 3.93Å
289Y97.6Very high96.7Very high125 Ų12570 Ų7049%0.4935%0.348SS..Hα-helixtrans-64.4-36.9176.4-64.9-42.5000112L285 E286 Q291 G292 F293 V295L285-Y289 HydrophobicContact CB-CD2 4.41Å; L285-Y289 HydrophobicContact CB-CE2 3.9Å; L285-Y289 WeakPolarHBondContact O-CD2 3.49Å; L285-Y289 PolarHBondContact O-N 2.79Å; E286-Y289 PolarHBondContact O-N 3.4Å; Y289-Q291 VanDerWaalsContact C-N 3.31Å; Y289-Q291 PolarHBondContact O-N 2.91Å; Y289-G292 PolarHBondContact O-N 2.81Å; Y289-G292 VanDerWaalsContact O-N 3.17Å; Y289-F293 WeakPolarHBondContact CD1-O 3.39Å; Y289-V295 HydrophobicContact CE1-CG2 3.83Å; Y289-V295 WeakPolarHBondContact OH-CG2 3.36Å
290T97.4Very high96.9Very high108 Ų10868.2 Ų68.266%0.66334%0.335SS*.Hα-helixtrans-63.7-38.2177.2-62.50000111.6E286 E287 M288 G292E286-T290 WeakPolarHBondContact O-CB 3.44Å; E286-T290 PolarHBondContact O-N 3.08Å; E286-T290 PolarHBondContact O-OG1 2.9Å; E287-T290 PolarHBondContact O-N 2.7Å; M288-T290 VanDerWaalsContact C-N 3.31Å; M288-T290 PolarHBondContact O-N 3.04Å; T290-G292 VanDerWaalsContact C-N 3.33Å
291Q97.4Very high96.7Very high61 Ų6168.7 Ų68.729%0.28534%0.338SS..Hα-helixtrans-71.4-27.9174.6-172.961.547.500113I258 W262 E287 M288 Y289 F293I258-Q291 HydrophobicContact CG2-CB 3.48Å; I258-Q291 VanDerWaalsContact CG2-CB 3.48Å; I258-Q291 HydrophobicContact CG2-CG 3.62Å; W262-Q291 HydrophobicContact CB-CG 3.6Å; W262-Q291 VanDerWaalsContact CD1-NE2 3.3Å; W262-Q291 HydrophobicContact CD2-CG 3.93Å; W262-Q291 HydrophobicContact CE3-CG 4.02Å; W262-Q291 HydrophobicContact CG-CG 3.76Å; W262-Q291 VanDerWaalsContact CG-NE2 3.26Å; E287-Q291 PolarHBondContact O-N 2.94Å; M288-Q291 PolarHBondContact O-N 3.31Å; Y289-Q291 VanDerWaalsContact C-N 3.31Å; Y289-Q291 PolarHBondContact O-N 2.91Å; Q291-F293 HydrophobicContact CB-CD2 4.22Å; Q291-F293 HydrophobicContact CG-CD2 4.22Å; Q291-F293 HydrophobicContact CG-CE2 4.1Å
292G97.1Very high96.2Very high30 Ų3072.6 Ų72.631%0.30936%0.355SS..THydrogen-bonded Turntrans113.89.8178.300000115W262 M288 Y289 T290W262-G292 WeakPolarHBondContact CH2-O 3.25Å; W262-G292 VanDerWaalsContact CZ3-O 3.31Å; W262-G292 WeakPolarHBondContact CZ3-O 3.49Å; M288-G292 PolarHBondContact O-N 2.84Å; M288-G292 VanDerWaalsContact O-N 3.08Å; Y289-G292 PolarHBondContact O-N 2.81Å; Y289-G292 VanDerWaalsContact O-N 3.17Å; T290-G292 VanDerWaalsContact C-N 3.33Å
293F98Very high95.9Very high3 Ų372.1 Ų72.11%0.01335%0.353CS..  trans-70.7146.3174.1-75.7-73000111.7I258 A261 W262 L265 F271 M288 Y289 Q291 L309 K311I258-F293 HydrophobicContact CG2-CD2 4.47Å; I258-F293 HydrophobicContact CG2-CE2 4.2Å; A261-F293 HydrophobicContact CB-CZ 4.45Å; W262-F293 HydrophobicContact CB-CE2 4.1Å; W262-F293 HydrophobicContact CB-CZ 4.13Å; W262-F293 HydrophobicContact CE3-CD1 4.07Å; W262-F293 AromaticContact CE3-CD2 3.97Å; W262-F293 HydrophobicContact CE3-CD2 3.97Å; W262-F293 AromaticContact CE3-CE1 3.93Å; W262-F293 HydrophobicContact CE3-CE1 3.93Å; W262-F293 AromaticContact CE3-CE2 3.83Å; W262-F293 HydrophobicContact CE3-CE2 3.83Å; W262-F293 HydrophobicContact CE3-CG 4.09Å; W262-F293 AromaticContact CE3-CZ 3.81Å; W262-F293 HydrophobicContact CE3-CZ 3.81Å; W262-F293 HydrophobicContact CZ3-CD1 4.17Å; W262-F293 HydrophobicContact CZ3-CD2 4.48Å; W262-F293 HydrophobicContact CZ3-CE1 4.41Å; W262-F293 HydrophobicContact CZ3-CG 4.21Å; L265-F293 HydrophobicContact CD1-CE1 3.63Å; L265-F293 HydrophobicContact CD1-CZ 3.91Å; F271-F293 HydrophobicContact CB-CD1 4.5Å; F271-F293 HydrophobicContact CB-CE1 3.97Å; F271-F293 HydrophobicContact CB-CZ 4.35Å; F271-F293 HydrophobicContact CD1-CE1 4.22Å; F271-F293 HydrophobicContact CD1-CE2 4.05Å; F271-F293 AromaticContact CD1-CZ 3.82Å; F271-F293 HydrophobicContact CD1-CZ 3.82Å; F271-F293 HydrophobicContact CG-CZ 4.47Å; M288-F293 HydrophobicContact CB-CB 4.16Å; M288-F293 WeakPolarHBondContact O-CB 3.37Å; M288-F293 PolarHBondContact O-N 2.83Å; M288-F293 HydrophobicContact SD-CD2 3.78Å; M288-F293 HydrophobicContact SD-CE2 4.21Å; M288-F293 HydrophobicContact SD-CG 4.39Å; Y289-F293 WeakPolarHBondContact CD1-O 3.39Å; Q291-F293 HydrophobicContact CB-CD2 4.22Å; Q291-F293 HydrophobicContact CG-CD2 4.22Å; Q291-F293 HydrophobicContact CG-CE2 4.1Å; F293-L309 HydrophobicContact CB-CB 4.15Å; F293-L309 HydrophobicContact CB-CD2 3.76Å; F293-L309 HydrophobicContact CD1-CB 4.15Å; F293-L309 HydrophobicContact CG-CB 4.37Å; F293-L309 HydrophobicContact CG-CD2 4.43Å; F293-K311 HydrophobicContact CE1-CB 4.27Å
294E97.6Very high95.6Very high120 Ų12071.3 Ų71.356%0.56135%0.346SS*.EExtended strand (participates in β ladder)trans-108.8137.9171.7-65.8-174.6172.200110.4D296 L309 K310 P312E294-D296 PolarHBondContact O-N 2.85Å; E294-L309 CarbonylContact O-C 3.56Å; E294-L309 WeakPolarHBondContact O-CA 3.4Å; E294-K310 PolarHBondContact N-O 2.91Å; E294-K310 PolarHBondContact O-N 2.88Å; E294-P312 HydrophobicContact CG-CG 3.82Å
295V97.9Very high95.5Very high46 Ų4671.5 Ų71.528%0.27935%0.347SS..EExtended strand (participates in β ladder)trans-79.4120.4176.1174.70000109.8L285 Y289 I298 I307 L309L285-V295 HydrophobicContact CD2-CG2 3.52Å; Y289-V295 HydrophobicContact CE1-CG2 3.83Å; Y289-V295 WeakPolarHBondContact OH-CG2 3.36Å; V295-I298 HydrophobicContact CG1-CD1 4.09Å; V295-I298 HydrophobicContact CG1-CG1 3.76Å; V295-I307 HydrophobicContact CG1-CG2 4.21Å; V295-I307 HydrophobicContact CG2-CG2 4.27Å; V295-L309 HydrophobicContact CG2-CD2 4.14Å
296D97.5Very high95.5Very high91 Ų9170.8 Ų70.849%0.48734%0.343SS..EExtended strand (participates in β ladder)trans-86.6-47.1171.2176.772.8000111.1E294 I308 K310E294-D296 PolarHBondContact O-N 2.85Å; D296-I308 HydrophobicContact CB-CB 4.43Å; D296-I308 HydrophobicContact CB-CG2 4.01Å; D296-I308 PolarHBondContact N-O 3.07Å; D296-K310 HydrophobicContact CB-CG 4.13Å
297R97.4Very high95.5Very high116 Ų11664.5 Ų64.544%0.43831%0.314SS..EExtended strand (participates in β ladder)trans-153146.7-176.3-164.1172.2-62175.47.8112.6F299 I308R297-F299 HydrophobicContact CB-CE2 4.31Å; R297-F299 VanDerWaalsContact CD-CZ 3.41Å; R297-F299 HydrophobicContact CG-CD2 4.33Å; R297-F299 HydrophobicContact CG-CE2 3.92Å; R297-F299 HydrophobicContact CG-CZ 4.2Å; R297-I308 HydrophobicContact CB-CB 4.25Å; R297-I308 HydrophobicContact CB-CD1 4.29Å; R297-I308 PolarHBondContact N-O 3.15Å; R297-I308 PolarHBondContact O-N 2.98Å
298I97.8Very high95.5Very high75 Ų7560.6 Ų60.639%0.38530%0.295SS..EExtended strand (participates in β ladder)trans-120.5127.6170.5-60174000107.9L285 V295 F305 I307L285-I298 HydrophobicContact CD1-CD1 4.44Å; V295-I298 HydrophobicContact CG1-CD1 4.09Å; V295-I298 HydrophobicContact CG1-CG1 3.76Å; I298-F305 HydrophobicContact CG2-CD1 3.72Å; I298-F305 HydrophobicContact CG2-CE1 4.4Å; I298-I307 HydrophobicContact CG1-CG1 4.39Å; I298-I307 HydrophobicContact CG1-CG2 4.13Å
299F96.1Very high95.6Very high33 Ų3360.6 Ų60.615%0.14530%0.295CS..EExtended strand (participates in β ladder)trans-104.6148.6167.8-56.7-102.3000109.4L164 A168 T171 R297 F305 A306 I308L164-F299 HydrophobicContact CD2-CB 3.73Å; A168-F299 HydrophobicContact CB-CD2 4.35Å; A168-F299 HydrophobicContact CB-CE2 3.96Å; T171-F299 HydrophobicContact CG2-CZ 4.21Å; R297-F299 HydrophobicContact CB-CE2 4.31Å; R297-F299 VanDerWaalsContact CD-CZ 3.41Å; R297-F299 HydrophobicContact CG-CD2 4.33Å; R297-F299 HydrophobicContact CG-CE2 3.92Å; R297-F299 HydrophobicContact CG-CZ 4.2Å; F299-F305 VanDerWaalsContact O-CA 3.31Å; F299-F305 WeakPolarHBondContact O-CA 3.2Å; F299-A306 HydrophobicContact CB-CB 4.46Å; F299-A306 PolarHBondContact N-O 3.38Å; F299-A306 PolarHBondContact O-N 2.56Å; F299-I308 HydrophobicContact CE2-CD1 3.57Å; F299-I308 HydrophobicContact CE2-CG1 3.97Å; F299-I308 HydrophobicContact CZ-CD1 4.2Å
300Q94.9Very high95.6Very high110 Ų11057 Ų5751%0.51428%0.283SS..EExtended strand (participates in β ladder)trans-138.8135.5178.3-177.5179.83.300109.6K302 W304 F305Q300-K302 WeakPolarHBondContact CG-O 3.46Å; Q300-K302 PolarHBondContact NE2-O 2.89Å; Q300-W304 WeakPolarHBondContact CA-O 3.24Å; Q300-F305 HydrophobicContact CB-CD1 3.98Å; Q300-F305 HydrophobicContact CB-CE1 3.81Å; Q300-F305 HydrophobicContact CB-CZ 4.5Å; Q300-F305 VanDerWaalsContact CD-CE1 3.49Å; Q300-F305 VanDerWaalsContact CD-CZ 3.46Å; Q300-F305 HydrophobicContact CG-CD1 4.11Å; Q300-F305 HydrophobicContact CG-CE1 3.65Å; Q300-F305 HydrophobicContact CG-CE2 4.43Å; Q300-F305 HydrophobicContact CG-CZ 3.83Å
301Q87.7Confident95.6Very high66 Ų6652.6 Ų52.631%0.30825%0.254SS..EExtended strand (participates in β ladder)trans-140.7115.4170.2-178.4176.8-14.700108.1P160 L164 D303 W304P160-Q301 HydrophobicContact CB-CB 4.28Å; P160-Q301 HydrophobicContact CB-CG 4.08Å; L164-Q301 HydrophobicContact CD1-CB 3.89Å; L164-Q301 HydrophobicContact CD2-CB 3.67Å; L164-Q301 HydrophobicContact CG-CB 3.81Å; Q301-D303 PolarHBondContact O-N 2.81Å; Q301-W304 PolarHBondContact N-O 2.8Å; Q301-W304 PolarHBondContact O-N 2.85Å
302K86.3Confident95.4Very high128 Ų12851.8 Ų51.856%0.55725%0.254SS*.THydrogen-bonded Turntrans54-129.1-165.5-54.3178.6175.1-178.30109.6E16 P160 Q300 W304E16-K302 IonicContact OE1-NZ 2.79Å; E16-K302 PolarHBondContact OE1-NZ 2.99Å; P160-K302 HydrophobicContact CG-CD 4.42Å; Q300-K302 WeakPolarHBondContact CG-O 3.46Å; Q300-K302 PolarHBondContact NE2-O 2.89Å; K302-W304 VanDerWaalsContact C-N 3.32Å
303D88.5Confident94.8Very high101 Ų10157.2 Ų57.254%0.5427%0.271SS..THydrogen-bonded Turntrans-89.42.9-178.2-52.6-37.8000113.3I277 E278 Q301I277-D303 CarbonylContact C-O 3.57Å; I277-D303 VanDerWaalsContact CA-O 3.3Å; I277-D303 WeakPolarHBondContact CA-O 3.34Å; E278-D303 PolarHBondContact N-O 2.84Å; Q301-D303 PolarHBondContact O-N 2.81Å
304W90.4Very high93.7Very high53 Ų5364.7 Ų64.720%0.20131%0.306CS..EExtended strand (participates in β ladder)trans-101.4143.6-176.1-62.298.1000112.1H159 P160 T161 L164 I276 I277 Q300 Q301 K302H159-W304 AromaticContact CE1-CE2 3.75Å; H159-W304 AromaticContact CE1-CZ2 3.88Å; H159-W304 AromaticContact CE1-NE1 3.97Å; P160-W304 HydrophobicContact CB-CB 4.26Å; P160-W304 HydrophobicContact CB-CG 4.25Å; T161-W304 HydrophobicContact CG2-CB 3.87Å; T161-W304 HydrophobicContact CG2-CD2 3.47Å; T161-W304 VanDerWaalsContact CG2-CD2 3.47Å; T161-W304 HydrophobicContact CG2-CE3 3.29Å; T161-W304 HydrophobicContact CG2-CG 3.73Å; T161-W304 HydrophobicContact CG2-CZ3 3.97Å; L164-W304 HydrophobicContact CD1-CB 4.22Å; L164-W304 WeakPolarHBondContact CD1-O 3.19Å; I276-W304 CarbonylContact O-C 3.45Å; I276-W304 WeakPolarHBondContact O-CA 3.42Å; I277-W304 HydrophobicContact CG2-CD2 4.08Å; I277-W304 HydrophobicContact CG2-CE3 3.62Å; I277-W304 HydrophobicContact CG2-CH2 3.56Å; I277-W304 HydrophobicContact CG2-CZ2 3.99Å; I277-W304 HydrophobicContact CG2-CZ3 3.36Å; Q300-W304 WeakPolarHBondContact CA-O 3.24Å; Q301-W304 PolarHBondContact N-O 2.8Å; Q301-W304 PolarHBondContact O-N 2.85Å; K302-W304 VanDerWaalsContact C-N 3.32Å
305F94.8Very high92Very high4 Ų470.4 Ų70.42%0.01834%0.341CS..EExtended strand (participates in β ladder)trans-121.3143.1-179.4-64.5-92.6000111.3S274 I276 E278 K281 I298 F299 Q300S274-F305 WeakPolarHBondContact CA-O 3.21Å; S274-F305 PolarHBondContact OG-O 2.95Å; I276-F305 HydrophobicContact CB-CB 4.43Å; I276-F305 PolarHBondContact O-N 3.29Å; E278-F305 VanDerWaalsContact CA-CE2 3.45Å; E278-F305 HydrophobicContact CB-CE2 3.75Å; E278-F305 HydrophobicContact CB-CZ 4.4Å; E278-F305 HydrophobicContact CG-CE2 4.14Å; E278-F305 HydrophobicContact CG-CZ 4.32Å; K281-F305 HydrophobicContact CB-CD2 4.46Å; K281-F305 HydrophobicContact CD-CD1 3.67Å; K281-F305 HydrophobicContact CD-CD2 4.24Å; K281-F305 HydrophobicContact CD-CE1 3.7Å; K281-F305 HydrophobicContact CD-CE2 4.3Å; K281-F305 HydrophobicContact CD-CG 3.94Å; K281-F305 HydrophobicContact CD-CZ 4.03Å; K281-F305 HydrophobicContact CG-CD1 4.47Å; K281-F305 HydrophobicContact CG-CG 4.3Å; I298-F305 HydrophobicContact CG2-CD1 3.72Å; I298-F305 HydrophobicContact CG2-CE1 4.4Å; F299-F305 VanDerWaalsContact O-CA 3.31Å; F299-F305 WeakPolarHBondContact O-CA 3.2Å; Q300-F305 HydrophobicContact CB-CD1 3.98Å; Q300-F305 HydrophobicContact CB-CE1 3.81Å; Q300-F305 HydrophobicContact CB-CZ 4.5Å; Q300-F305 VanDerWaalsContact CD-CE1 3.49Å; Q300-F305 VanDerWaalsContact CD-CZ 3.46Å; Q300-F305 HydrophobicContact CG-CD1 4.11Å; Q300-F305 HydrophobicContact CG-CE1 3.65Å; Q300-F305 HydrophobicContact CG-CE2 4.43Å; Q300-F305 HydrophobicContact CG-CZ 3.83Å
306A97.1Very high91.7Very high0 Ų071.7 Ų71.70%034%0.344CS..EExtended strand (participates in β ladder)trans-119.6137.4157.600000109.2L164 V273 F299L164-A306 HydrophobicContact CB-CB 3.64Å; L164-A306 HydrophobicContact CD1-CB 4.49Å; V273-A306 CarbonylContact O-C 3.57Å; V273-A306 WeakPolarHBondContact O-CA 3.43Å; F299-A306 HydrophobicContact CB-CB 4.46Å; F299-A306 PolarHBondContact N-O 3.38Å; F299-A306 PolarHBondContact O-N 2.56Å
307I98.4Very high91.4Very high1 Ų170.6 Ų70.61%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-125.5125.7-173-50.2175.4000107.7I272 V273 I276 K281 L285 V295 I298 L309I272-I307 WeakPolarHBondContact CA-O 3.48Å; V273-I307 HydrophobicContact CG2-CB 3.9Å; V273-I307 HydrophobicContact CG2-CG1 4.48Å; V273-I307 PolarHBondContact N-O 2.85Å; V273-I307 PolarHBondContact O-N 2.94Å; I276-I307 HydrophobicContact CD1-CD1 3.97Å; I276-I307 HydrophobicContact CD1-CG1 4.5Å; K281-I307 HydrophobicContact CG-CD1 4.29Å; L285-I307 HydrophobicContact CD2-CD1 3.89Å; L285-I307 HydrophobicContact CD2-CG2 4.25Å; L285-I307 HydrophobicContact CG-CD1 4.24Å; V295-I307 HydrophobicContact CG1-CG2 4.21Å; V295-I307 HydrophobicContact CG2-CG2 4.27Å; I298-I307 HydrophobicContact CG1-CG1 4.39Å; I298-I307 HydrophobicContact CG1-CG2 4.13Å; I307-L309 HydrophobicContact CB-CD1 4.12Å; I307-L309 HydrophobicContact CG2-CD1 3.73Å; I307-L309 HydrophobicContact CG2-CD2 4.46Å; I307-L309 HydrophobicContact CG2-CG 3.85Å
308I98.6Very high91Very high1 Ų168.1 Ų68.11%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-94120.7168.4-59.3-179.4000107.2A168 T171 V172 T270 I272 D296 R297 F299A168-I308 HydrophobicContact CB-CD1 4.03Å; A168-I308 HydrophobicContact CB-CG1 4Å; T171-I308 WeakPolarHBondContact OG1-CD1 3.46Å; V172-I308 HydrophobicContact CG2-CD1 3.68Å; V172-I308 HydrophobicContact CG2-CG1 4.36Å; V172-I308 HydrophobicContact CG2-CG2 4.11Å; T270-I308 HydrophobicContact CG2-CG2 3.5Å; T270-I308 VanDerWaalsContact CG2-CG2 3.5Å; I272-I308 HydrophobicContact CG1-CG1 4.41Å; D296-I308 HydrophobicContact CB-CB 4.43Å; D296-I308 HydrophobicContact CB-CG2 4.01Å; D296-I308 PolarHBondContact N-O 3.07Å; R297-I308 HydrophobicContact CB-CB 4.25Å; R297-I308 HydrophobicContact CB-CD1 4.29Å; R297-I308 PolarHBondContact N-O 3.15Å; R297-I308 PolarHBondContact O-N 2.98Å; F299-I308 HydrophobicContact CE2-CD1 3.57Å; F299-I308 HydrophobicContact CE2-CG1 3.97Å; F299-I308 HydrophobicContact CZ-CD1 4.2Å
309L98.5Very high90.6Very high0 Ų067.7 Ų67.70%033%0.328CS..EExtended strand (participates in β ladder)trans-116.3152.1174.3-54.5102.9000110.9T270 F271 V273 M288 F293 E294 V295 I307T270-L309 CarbonylContact C-O 3.45Å; T270-L309 WeakPolarHBondContact CA-O 3.49Å; F271-L309 HydrophobicContact CB-CB 4.3Å; F271-L309 PolarHBondContact N-O 3.37Å; F271-L309 PolarHBondContact O-N 3.42Å; V273-L309 HydrophobicContact CG2-CD1 3.78Å; M288-L309 HydrophobicContact CB-CD2 3.52Å; M288-L309 HydrophobicContact CE-CD1 4.39Å; M288-L309 HydrophobicContact CG-CD2 3.58Å; M288-L309 HydrophobicContact SD-CD1 4.3Å; M288-L309 HydrophobicContact SD-CD2 3.93Å; F293-L309 HydrophobicContact CB-CB 4.15Å; F293-L309 HydrophobicContact CB-CD2 3.76Å; F293-L309 HydrophobicContact CD1-CB 4.15Å; F293-L309 HydrophobicContact CG-CB 4.37Å; F293-L309 HydrophobicContact CG-CD2 4.43Å; E294-L309 CarbonylContact O-C 3.56Å; E294-L309 WeakPolarHBondContact O-CA 3.4Å; V295-L309 HydrophobicContact CG2-CD2 4.14Å; I307-L309 HydrophobicContact CB-CD1 4.12Å; I307-L309 HydrophobicContact CG2-CD1 3.73Å; I307-L309 HydrophobicContact CG2-CD2 4.46Å; I307-L309 HydrophobicContact CG2-CG 3.85Å
310K98.1Very high90.3Very high51 Ų5169.9 Ų69.922%0.22234%0.339CS..EExtended strand (participates in β ladder)trans-116.6140.4177.7-75.5-64.9-140.4150.10110.3D268 E294 D296 P312D268-K310 PolarHBondContact O-NZ 3.38Å; D268-K310 IonicContact OD1-NZ 2.71Å; D268-K310 PolarHBondContact OD1-NZ 3.23Å; D268-K310 IonicContact OD2-NZ 2.75Å; E294-K310 PolarHBondContact N-O 2.91Å; E294-K310 PolarHBondContact O-N 2.88Å; D296-K310 HydrophobicContact CB-CG 4.13Å; K310-P312 WeakPolarHBondContact O-CD 2.96Å
311K97.7Very high90Very high15 Ų1567.2 Ų67.27%0.06533%0.327CS..  trans-88111.1162.7179.2172.3176.2-1780107.7W262 L265 D268 G269 F293W262-K311 HydrophobicContact CD2-CD 4.36Å; W262-K311 HydrophobicContact CE3-CD 4.33Å; W262-K311 HydrophobicContact CE3-CG 4.14Å; W262-K311 HydrophobicContact CH2-CG 3.94Å; W262-K311 HydrophobicContact CZ2-CG 4.35Å; W262-K311 HydrophobicContact CZ3-CB 4.28Å; W262-K311 HydrophobicContact CZ3-CD 4.46Å; W262-K311 HydrophobicContact CZ3-CG 3.81Å; W262-K311 PolarHBondContact O-NZ 3.11Å; L265-K311 HydrophobicContact CB-CB 4.48Å; L265-K311 HydrophobicContact CB-CD 3.97Å; L265-K311 WeakPolarHBondContact O-CD 3.12Å; L265-K311 PolarHBondContact O-NZ 2.66Å; D268-K311 WeakPolarHBondContact CA-O 3.18Å; D268-K311 PolarHBondContact N-O 3.04Å; G269-K311 PolarHBondContact O-N 2.88Å; F293-K311 HydrophobicContact CE1-CB 4.27Å
312P93.7Very high90.2Very high44 Ų4467.3 Ų67.329%0.28633%0.329SS..PPolyproline II helixtrans-55.7151.5179.9-25.235.4000112.1E294 K310E294-P312 HydrophobicContact CG-CG 3.82Å; K310-P312 WeakPolarHBondContact O-CD 2.96Å
313E85Confident90.5Very high144 Ų14462.6 Ų62.667%0.67331%0.311SS*.PPolyproline II helixtrans-61.6140.2168.5-68.5-171157.100109.7D268 D315D268-E313 HydrophobicContact CB-CG 3.97Å; E313-D315 PolarHBondContact O-N 3.25Å
314E74.9Confident90.6Very high160 Ų16059.4 Ų59.475%0.74829%0.292SS*.PPolyproline II helixtrans-71.2123170.1-66.2-177.2179.300108.6
315D60.5Low90.6Very high240 Ų24060 Ų60100%1.28330%0.3SS*.  trans-54.60175.6-80.7-34.3000114.1E313E313-D315 PolarHBondContact O-N 3.25Å

Retrieved 315 of 315 residues in 239.3 ms (Link to these results)

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