A0A077ZD79_TRITR Loading...

FERM domain-containing protein 8

AlphaFold DB , UniProt , Accession A0A077ZD79, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 283 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
1M84.1Confident90.8Very high177 Ų17764.5 Ų64.587%0.87232%0.32SS*.  0-72.10-158.3171.3164.600110.4Y3 L4 D5M1-Y3 VanDerWaalsContact C-N 3.28Å; M1-Y3 PolarHBondContact O-N 3.17Å; M1-L4 WeakPolarHBondContact O-CA 3.39Å; M1-L4 WeakPolarHBondContact O-CB 3.4Å; M1-L4 PolarHBondContact O-N 3.5Å; M1-D5 PolarHBondContact O-N 3.03Å; M1-D5 VanDerWaalsContact O-N 3.09Å
2L89.3Confident90.9Very high105 Ų10563.5 Ų63.555%0.5532%0.324SS..Hα-helixtrans-47.9-41-177.4-63171000116A6 L103L2-A6 WeakPolarHBondContact O-CB 3.19Å; L2-A6 PolarHBondContact O-N 3.07Å; L2-L103 HydrophobicContact CB-CD1 4.42Å; L2-L103 HydrophobicContact CB-CD2 4.23Å
3Y91.9Very high91Very high25 Ų2558.6 Ų58.610%0.09830%0.299CS..Hα-helixtrans-66-41.1177148.8-99.1000112.8M1 A6 K7 Q29 I32 Q99 Y102M1-Y3 VanDerWaalsContact C-N 3.28Å; M1-Y3 PolarHBondContact O-N 3.17Å; Y3-A6 PolarHBondContact O-N 3.44Å; Y3-K7 PolarHBondContact O-N 3.27Å; Y3-Q29 PolarHBondContact OH-NE2 3.4Å; Y3-Q29 PolarHBondContact OH-OE1 3.27Å; Y3-I32 HydrophobicContact CD2-CD1 4.5Å; Y3-I32 HydrophobicContact CE2-CD1 3.65Å; Y3-Q99 HydrophobicContact CD1-CG 4.18Å; Y3-Q99 HydrophobicContact CD2-CG 4.19Å; Y3-Q99 HydrophobicContact CE1-CG 4.47Å; Y3-Q99 HydrophobicContact CE2-CG 4.48Å; Y3-Q99 HydrophobicContact CG-CB 4.47Å; Y3-Q99 HydrophobicContact CG-CG 4.02Å; Y3-Y102 HydrophobicContact CD2-CD1 4.02Å; Y3-Y102 HydrophobicContact CD2-CG 4.03Å; Y3-Y102 HydrophobicContact CE2-CD1 4.41Å; Y3-Y102 HydrophobicContact CE2-CD2 4.31Å; Y3-Y102 HydrophobicContact CE2-CG 4.16Å
4L92Very high90.9Very high91 Ų9159.6 Ų59.648%0.47630%0.298SS..Hα-helixtrans-66.8-45.1178.4-65173000109.9M1 A6 K7 D8M1-L4 WeakPolarHBondContact O-CA 3.39Å; M1-L4 WeakPolarHBondContact O-CB 3.4Å; M1-L4 PolarHBondContact O-N 3.5Å; L4-A6 VanDerWaalsContact C-N 3.26Å; L4-A6 PolarHBondContact O-N 3.36Å; L4-K7 WeakPolarHBondContact O-CA 3.47Å; L4-K7 WeakPolarHBondContact O-CB 3.26Å; L4-K7 PolarHBondContact O-N 2.79Å; L4-D8 VanDerWaalsContact O-CG 3.31Å; L4-D8 PolarHBondContact O-N 3.44Å
5D90.6Very high90.7Very high62 Ų6256.4 Ų56.433%0.33228%0.281SS..Hα-helixtrans-59.2-41.1175.3-51.4-31.3000110.7M1 D8 Y9M1-D5 PolarHBondContact O-N 3.03Å; M1-D5 VanDerWaalsContact O-N 3.09Å; D5-D8 PolarHBondContact O-N 3.25Å; D5-Y9 WeakPolarHBondContact O-CB 3.45Å; D5-Y9 WeakPolarHBondContact O-CD2 3.5Å; D5-Y9 PolarHBondContact O-N 3.23Å; D5-Y9 VanDerWaalsContact O-N 3.08Å
6A91.2Very high90.7Very high2 Ų252.9 Ų52.92%0.01726%0.264CS..Hα-helixtrans-64.1-40.9175.800000112.3L2 Y3 L4 T10 R15 Y102 L103L2-A6 WeakPolarHBondContact O-CB 3.19Å; L2-A6 PolarHBondContact O-N 3.07Å; Y3-A6 PolarHBondContact O-N 3.44Å; L4-A6 VanDerWaalsContact C-N 3.26Å; L4-A6 PolarHBondContact O-N 3.36Å; A6-T10 PolarHBondContact O-N 3Å; A6-T10 PolarHBondContact O-OG1 3.08Å; A6-T10 VanDerWaalsContact O-OG1 3.09Å; A6-R15 PolarHBondContact O-NH2 3.23Å; A6-Y102 HydrophobicContact CB-CD1 4.24Å; A6-Y102 HydrophobicContact CB-CE1 3.96Å; A6-L103 HydrophobicContact CB-CD2 3.94Å
7K93Very high90.7Very high35 Ų3550.4 Ų50.415%0.15225%0.251CS..Hα-helixtrans-60-52.6174.4-176-172175.2-178.50111Y3 L4 Y9 T10 L11 Q29 E33 Y102Y3-K7 PolarHBondContact O-N 3.27Å; L4-K7 WeakPolarHBondContact O-CA 3.47Å; L4-K7 WeakPolarHBondContact O-CB 3.26Å; L4-K7 PolarHBondContact O-N 2.79Å; K7-Y9 VanDerWaalsContact C-N 3.35Å; K7-Y9 PolarHBondContact O-N 2.92Å; K7-T10 WeakPolarHBondContact O-CB 3.28Å; K7-T10 PolarHBondContact O-N 3.1Å; K7-T10 VanDerWaalsContact O-N 3.1Å; K7-L11 HydrophobicContact CD-CD1 4.37Å; K7-L11 HydrophobicContact CG-CD1 3.95Å; K7-L11 HydrophobicContact CG-CG 4.38Å; K7-L11 PolarHBondContact O-N 3.42Å; K7-Q29 HydrophobicContact CD-CG 4.47Å; K7-E33 IonicContact NZ-OE1 3.58Å; K7-E33 PolarHBondContact NZ-OE1 3.28Å; K7-Y102 WeakPolarHBondContact CA-OH 3.25Å
8D92.6Very high90.6Very high87 Ų8748.7 Ų48.747%0.46524%0.244SC..Hα-helixtrans-61.6-42.4-175.1-66.8-13000111.8L4 D5 T10 L11 S12L4-D8 VanDerWaalsContact O-CG 3.31Å; L4-D8 PolarHBondContact O-N 3.44Å; D5-D8 PolarHBondContact O-N 3.25Å; D8-T10 VanDerWaalsContact C-N 3.34Å; D8-T10 PolarHBondContact O-N 3.45Å; D8-L11 PolarHBondContact O-N 3.46Å; D8-S12 VanDerWaalsContact O-CB 3.23Å; D8-S12 WeakPolarHBondContact O-CB 3.44Å; D8-S12 PolarHBondContact O-N 3.09Å; D8-S12 PolarHBondContact O-OG 2.97Å
9Y91Very high90.5Very high75 Ų7548.5 Ų48.529%0.29425%0.246SC..Hα-helixtrans-64.2-36.7175.8-92.2-107.5000113.5D5 K7 Y14 R15 V116D5-Y9 WeakPolarHBondContact O-CB 3.45Å; D5-Y9 WeakPolarHBondContact O-CD2 3.5Å; D5-Y9 PolarHBondContact O-N 3.23Å; D5-Y9 VanDerWaalsContact O-N 3.08Å; K7-Y9 VanDerWaalsContact C-N 3.35Å; K7-Y9 PolarHBondContact O-N 2.92Å; Y9-Y14 PolarHBondContact O-N 3.47Å; Y9-R15 VanDerWaalsContact CB-NH2 3.3Å; Y9-R15 HydrophobicContact CD1-CG 4.36Å; Y9-V116 HydrophobicContact CD1-CG2 4.39Å; Y9-V116 HydrophobicContact CE1-CG2 3.54Å
10T90.4Very high90.4Very high3 Ų351.8 Ų51.82%0.01826%0.264CS..Hα-helixtrans-66.4-54.2176.2-65.50000109.4A6 K7 D8 S12 G13 R15 L17 L25 P56A6-T10 PolarHBondContact O-N 3Å; A6-T10 PolarHBondContact O-OG1 3.08Å; A6-T10 VanDerWaalsContact O-OG1 3.09Å; K7-T10 WeakPolarHBondContact O-CB 3.28Å; K7-T10 PolarHBondContact O-N 3.1Å; K7-T10 VanDerWaalsContact O-N 3.1Å; D8-T10 VanDerWaalsContact C-N 3.34Å; D8-T10 PolarHBondContact O-N 3.45Å; T10-S12 PolarHBondContact O-N 2.93Å; T10-G13 PolarHBondContact O-N 3.4Å; T10-R15 PolarHBondContact OG1-NH2 3.05Å; T10-L17 HydrophobicContact CG2-CD1 4.06Å; T10-L25 HydrophobicContact CG2-CD1 3.9Å; T10-P56 HydrophobicContact CG2-CG 4.27Å; T10-P56 WeakPolarHBondContact O-CG 3.34Å
11L92.6Very high90.5Very high47 Ų4750 Ų5025%0.24626%0.255CS..Hα-helixtrans-65.1-35.3-176.8-65.6-178.5000113.3K7 D8 G13K7-L11 HydrophobicContact CD-CD1 4.37Å; K7-L11 HydrophobicContact CG-CD1 3.95Å; K7-L11 HydrophobicContact CG-CG 4.38Å; K7-L11 PolarHBondContact O-N 3.42Å; D8-L11 PolarHBondContact O-N 3.46Å; L11-G13 PolarHBondContact O-N 3.16Å
12S92.2Very high90.9Very high53 Ų5341.7 Ų41.737%0.37121%0.214SC..THydrogen-bonded Turntrans-65.1-17.9174.7-57.50000113D8 T10 Y14 R152D8-S12 VanDerWaalsContact O-CB 3.23Å; D8-S12 WeakPolarHBondContact O-CB 3.44Å; D8-S12 PolarHBondContact O-N 3.09Å; D8-S12 PolarHBondContact O-OG 2.97Å; T10-S12 PolarHBondContact O-N 2.93Å; S12-Y14 VanDerWaalsContact C-N 3.29Å; S12-Y14 VanDerWaalsContact CB-CD2 3.5Å; S12-Y14 VanDerWaalsContact CB-CE2 3.44Å; S12-Y14 PolarHBondContact O-N 2.97Å; S12-R152 PolarHBondContact O-NH2 2.98Å
13G91.5Very high91.1Very high0 Ų037 Ų370%019%0.19CC..THydrogen-bonded Turntrans73.316.4-177.800000114.5T10 L11 R15 R152T10-G13 PolarHBondContact O-N 3.4Å; L11-G13 PolarHBondContact O-N 3.16Å; G13-R15 PolarHBondContact O-N 3.25Å; G13-R152 WeakPolarHBondContact O-CD 3.48Å; G13-R152 PolarHBondContact O-NE 2.96Å
14Y90.6Very high91.2Very high73 Ų7341.3 Ų41.329%0.28621%0.206SC..SBendtrans-69.5-18171.7-58.6-42.8000112.5Y9 S12 V116 F118 I136Y9-Y14 PolarHBondContact O-N 3.47Å; S12-Y14 VanDerWaalsContact C-N 3.29Å; S12-Y14 VanDerWaalsContact CB-CD2 3.5Å; S12-Y14 VanDerWaalsContact CB-CE2 3.44Å; S12-Y14 PolarHBondContact O-N 2.97Å; Y14-V116 HydrophobicContact CD1-CG1 4.27Å; Y14-V116 HydrophobicContact CG-CG1 4.31Å; Y14-F118 HydrophobicContact CD1-CZ 4.47Å; Y14-F118 HydrophobicContact CE1-CE1 4.03Å; Y14-F118 AromaticContact CE1-CZ 3.81Å; Y14-F118 HydrophobicContact CE1-CZ 3.81Å; Y14-I136 HydrophobicContact CD1-CD1 3.99Å
15R87.2Confident91.4Very high11 Ų1137.3 Ų37.34%0.04219%0.185CC..SBendtrans-123.484.1173.2-67.6-169.3-49.1-128.5-2.2109.1A6 Y9 T10 G13 G111A6-R15 PolarHBondContact O-NH2 3.23Å; Y9-R15 VanDerWaalsContact CB-NH2 3.3Å; Y9-R15 HydrophobicContact CD1-CG 4.36Å; T10-R15 PolarHBondContact OG1-NH2 3.05Å; G13-R15 PolarHBondContact O-N 3.25Å; R15-G111 WeakPolarHBondContact CD-O 3.33Å
16P90.8Very high91.6Very high0 Ų034.3 Ų34.30%017%0.169CC..  trans-62139177.628.9-35.9000109.7H109 I147 R152 P154 F232 F233P16-H109 PolarHBondContact O-CD2 3.21Å; P16-H109 PolarHBondContact O-NE2 3.18Å; P16-H109 VanDerWaalsContact O-NE2 3.13Å; P16-I147 VanDerWaalsContact CD-CD1 3.46Å; P16-I147 HydrophobicContact CG-CD1 3.81Å; P16-I147 HydrophobicContact CG-CG1 4.01Å; P16-I147 HydrophobicContact CG-CG2 3.97Å; P16-R152 HydrophobicContact CB-CB 4.34Å; P16-R152 WeakPolarHBondContact CB-O 3.3Å; P16-R152 WeakPolarHBondContact CG-O 3.17Å; P16-P154 HydrophobicContact CG-CG 4.13Å; P16-F232 HydrophobicContact CB-CE1 3.94Å; P16-F232 HydrophobicContact CB-CZ 3.94Å; P16-F232 HydrophobicContact CG-CE1 4.22Å; P16-F232 WeakPolarHBondContact O-CE1 3.49Å; P16-F233 WeakPolarHBondContact O-CZ 3.27Å
17L90.4Very high91.8Very high10 Ų1034.2 Ų34.25%0.05217%0.168CC..  trans-129152-175.1-79.6162.3000109.5T10 H21 L25 H109 F229T10-L17 HydrophobicContact CG2-CD1 4.06Å; L17-H21 HydrophobicContact CB-CB 4.22Å; L17-H21 HydrophobicContact CD2-CB 4.06Å; L17-L25 HydrophobicContact CD1-CD1 3.56Å; L17-H109 HydrophobicContact CD2-CB 4.26Å; L17-F229 HydrophobicContact CD2-CE1 3.75Å; L17-F229 HydrophobicContact CD2-CZ 4.03Å
18P89.4Confident92Very high20 Ų2032.7 Ų32.713%0.1316%0.162CC..  trans-55.4146.2165.2-20.931.7000110.6D20 H21 C22 F229 F232P18-D20 PolarHBondContact O-N 3.3Å; P18-H21 WeakPolarHBondContact O-CB 3.42Å; P18-H21 PolarHBondContact O-N 3.2Å; P18-C22 PolarHBondContact O-N 2.78Å; P18-C22 VanDerWaalsContact O-N 3.13Å; P18-F229 HydrophobicContact CG-CD1 4.11Å; P18-F229 HydrophobicContact CG-CE1 4.08Å; P18-F232 HydrophobicContact CB-CD2 4.33Å; P18-F232 HydrophobicContact CG-CB 3.96Å; P18-F232 HydrophobicContact CG-CD1 4.47Å; P18-F232 HydrophobicContact CG-CD2 3.99Å; P18-F232 HydrophobicContact CG-CG 3.88Å
19V88.9Confident92.1Very high45 Ų4528.8 Ų28.827%0.27314%0.141SC..Hα-helixtrans-54.4-41.4-176.9179.30000111.6H21 C22 V23 V59 V63V19-H21 VanDerWaalsContact C-N 3.27Å; V19-H21 PolarHBondContact O-N 3.48Å; V19-C22 WeakPolarHBondContact O-CA 3.38Å; V19-C22 WeakPolarHBondContact O-CB 3.35Å; V19-C22 PolarHBondContact O-N 3.2Å; V19-C22 VanDerWaalsContact O-N 3.08Å; V19-V23 HydrophobicContact CG1-CG2 4.35Å; V19-V23 WeakPolarHBondContact O-CG2 3.42Å; V19-V23 PolarHBondContact O-N 3.32Å; V19-V59 HydrophobicContact CG2-CG1 4.29Å; V19-V63 HydrophobicContact CG1-CG2 4.01Å
20D89.3Confident92.4Very high115 Ų11525.2 Ų25.262%0.61513%0.127SC*.Hα-helixtrans-60.9-34.6178.6-62-30.4000113P18 V23 R24P18-D20 PolarHBondContact O-N 3.3Å; D20-V23 PolarHBondContact O-N 3.09Å; D20-R24 WeakPolarHBondContact O-CG 3.38Å; D20-R24 PolarHBondContact O-N 2.78Å; D20-R24 VanDerWaalsContact O-N 3.14Å
21H91.6Very high92.6Very high15 Ų1525.3 Ų25.37%0.06913%0.128CC..Hα-helixtrans-72-40.1175-73.180.6000111.2L17 P18 V19 V23 R24 L25 F229L17-H21 HydrophobicContact CB-CB 4.22Å; L17-H21 HydrophobicContact CD2-CB 4.06Å; P18-H21 WeakPolarHBondContact O-CB 3.42Å; P18-H21 PolarHBondContact O-N 3.2Å; V19-H21 VanDerWaalsContact C-N 3.27Å; V19-H21 PolarHBondContact O-N 3.48Å; H21-V23 VanDerWaalsContact C-N 3.32Å; H21-V23 PolarHBondContact O-N 2.93Å; H21-R24 PolarHBondContact O-N 3.3Å; H21-L25 WeakPolarHBondContact O-CG 3.18Å; H21-L25 PolarHBondContact O-N 2.91Å; H21-F229 AromaticContact CD2-CZ 3.72Å; H21-F229 AromaticContact NE2-CZ 3.59Å
22C92.7Very high92.8Very high2 Ų224 Ų241%0.01412%0.121CC..Hα-helixtrans-60.1-42.7172.8-68.40000111.5P18 V19 R24 L25 A26 F55 V59P18-C22 PolarHBondContact O-N 2.78Å; P18-C22 VanDerWaalsContact O-N 3.13Å; V19-C22 WeakPolarHBondContact O-CA 3.38Å; V19-C22 WeakPolarHBondContact O-CB 3.35Å; V19-C22 PolarHBondContact O-N 3.2Å; V19-C22 VanDerWaalsContact O-N 3.08Å; C22-R24 PolarHBondContact O-N 3.01Å; C22-L25 PolarHBondContact O-N 3.41Å; C22-A26 VanDerWaalsContact O-CB 3.23Å; C22-A26 WeakPolarHBondContact O-CB 3.35Å; C22-A26 PolarHBondContact O-N 2.77Å; C22-F55 HydrophobicContact CB-CD1 3.79Å; C22-F55 HydrophobicContact CB-CE1 3.81Å; C22-V59 HydrophobicContact CB-CG1 4.19Å
23V92.9Very high92.9Very high7 Ų725.8 Ų25.84%0.04212%0.124CC..Hα-helixtrans-59-47176.9168.40000111.3V19 D20 H21 A26 A27 F55 V79 A82 I83 Q86V19-V23 HydrophobicContact CG1-CG2 4.35Å; V19-V23 WeakPolarHBondContact O-CG2 3.42Å; V19-V23 PolarHBondContact O-N 3.32Å; D20-V23 PolarHBondContact O-N 3.09Å; H21-V23 VanDerWaalsContact C-N 3.32Å; H21-V23 PolarHBondContact O-N 2.93Å; V23-A26 PolarHBondContact O-N 2.66Å; V23-A27 WeakPolarHBondContact O-CB 3.46Å; V23-A27 PolarHBondContact O-N 3.04Å; V23-F55 HydrophobicContact CG2-CE1 4Å; V23-F55 HydrophobicContact CG2-CZ 4.09Å; V23-V79 HydrophobicContact CG2-CG1 3.82Å; V23-A82 HydrophobicContact CG1-CB 4.41Å; V23-I83 HydrophobicContact CB-CG1 4.4Å; V23-I83 HydrophobicContact CG1-CG1 3.76Å; V23-I83 HydrophobicContact CG2-CG1 4.07Å; V23-Q86 HydrophobicContact CG1-CG 4.5Å
24R94.6Very high93.1Very high115 Ų11529.1 Ų29.143%0.43414%0.136SC..Hα-helixtrans-62.7-44.5177.2-69.4173.6-174.5175.83.4112.4D20 H21 C22 A27 I28 L105D20-R24 WeakPolarHBondContact O-CG 3.38Å; D20-R24 PolarHBondContact O-N 2.78Å; D20-R24 VanDerWaalsContact O-N 3.14Å; H21-R24 PolarHBondContact O-N 3.3Å; C22-R24 PolarHBondContact O-N 3.01Å; R24-A27 PolarHBondContact O-N 3.16Å; R24-I28 VanDerWaalsContact O-CG1 3.3Å; R24-I28 WeakPolarHBondContact O-CG1 3.18Å; R24-I28 PolarHBondContact O-N 3.34Å; R24-I28 VanDerWaalsContact O-N 3.1Å; R24-L105 HydrophobicContact CB-CD1 3.95Å
25L95.5Very high93.3Very high6 Ų626.6 Ų26.63%0.03113%0.132CC..Hα-helixtrans-65-41.8177.8-70175.6000111.6T10 L17 H21 C22 I28 Q29 Y102 L105T10-L25 HydrophobicContact CG2-CD1 3.9Å; L17-L25 HydrophobicContact CD1-CD1 3.56Å; H21-L25 WeakPolarHBondContact O-CG 3.18Å; H21-L25 PolarHBondContact O-N 2.91Å; C22-L25 PolarHBondContact O-N 3.41Å; L25-I28 PolarHBondContact O-N 3.19Å; L25-Q29 WeakPolarHBondContact O-CB 3.21Å; L25-Q29 PolarHBondContact O-N 3.32Å; L25-Y102 HydrophobicContact CB-CE2 3.9Å; L25-Y102 HydrophobicContact CD2-CD1 4.19Å; L25-Y102 HydrophobicContact CD2-CD2 3.8Å; L25-Y102 HydrophobicContact CD2-CE1 4.09Å; L25-Y102 HydrophobicContact CD2-CE2 3.71Å; L25-Y102 HydrophobicContact CD2-CG 4.03Å; L25-Y102 HydrophobicContact CG-CE2 4.33Å; L25-L105 HydrophobicContact CD2-CB 3.86Å; L25-L105 HydrophobicContact CD2-CD1 4.09Å
26A94.8Very high93.5Very high0 Ų030.8 Ų30.80%016%0.161CC..Hα-helixtrans-61.6-46.2176.300000111.6C22 V23 I28 Q29 M30 F54 F55C22-A26 VanDerWaalsContact O-CB 3.23Å; C22-A26 WeakPolarHBondContact O-CB 3.35Å; C22-A26 PolarHBondContact O-N 2.77Å; V23-A26 PolarHBondContact O-N 2.66Å; A26-I28 PolarHBondContact O-N 2.63Å; A26-Q29 WeakPolarHBondContact O-CB 3.33Å; A26-Q29 PolarHBondContact O-N 3.1Å; A26-Q29 VanDerWaalsContact O-N 3.09Å; A26-M30 WeakPolarHBondContact O-CG 3.43Å; A26-M30 PolarHBondContact O-N 2.83Å; A26-F54 HydrophobicContact CB-CB 3.81Å; A26-F55 HydrophobicContact CB-CD2 3.95Å; A26-F55 HydrophobicContact CB-CE1 4.01Å; A26-F55 HydrophobicContact CB-CE2 3.35Å; A26-F55 HydrophobicContact CB-CZ 3.38Å
27A95.5Very high93.6Very high0 Ų032.9 Ų32.90%017%0.172CC..Hα-helixtrans-60-43.1176.700000112.6V23 R24 Q29 A31 Q86V23-A27 WeakPolarHBondContact O-CB 3.46Å; V23-A27 PolarHBondContact O-N 3.04Å; R24-A27 PolarHBondContact O-N 3.16Å; A27-Q29 VanDerWaalsContact C-N 3.31Å; A27-Q29 PolarHBondContact O-N 3.24Å; A27-A31 PolarHBondContact O-N 3.33Å; A27-Q86 HydrophobicContact CB-CB 3.57Å
28I96.8Very high93.7Very high3 Ų335.3 Ų35.32%0.01519%0.185CC..Hα-helixtrans-62.2-42.4173.5-66.7166.2000110.5R24 L25 A26 A31 I32 M90 L98 R101 Y102 L105R24-I28 VanDerWaalsContact O-CG1 3.3Å; R24-I28 WeakPolarHBondContact O-CG1 3.18Å; R24-I28 PolarHBondContact O-N 3.34Å; R24-I28 VanDerWaalsContact O-N 3.1Å; L25-I28 PolarHBondContact O-N 3.19Å; A26-I28 PolarHBondContact O-N 2.63Å; I28-A31 PolarHBondContact O-N 3Å; I28-I32 HydrophobicContact CG2-CD1 3.91Å; I28-I32 HydrophobicContact CG2-CG1 4.5Å; I28-I32 VanDerWaalsContact O-CG1 3.32Å; I28-I32 WeakPolarHBondContact O-CG1 3.39Å; I28-I32 PolarHBondContact O-N 2.82Å; I28-M90 HydrophobicContact CG1-CG 3.83Å; I28-M90 HydrophobicContact CG1-SD 3.95Å; I28-L98 HydrophobicContact CG2-CB 4.07Å; I28-L98 HydrophobicContact CG2-CD2 4.06Å; I28-L98 WeakPolarHBondContact CG2-O 3.33Å; I28-R101 HydrophobicContact CD1-CB 4.09Å; I28-Y102 HydrophobicContact CB-CD2 4.27Å; I28-Y102 HydrophobicContact CG2-CD2 3.91Å; I28-Y102 HydrophobicContact CG2-CG 4.46Å; I28-L105 HydrophobicContact CD1-CD1 3.59Å
29Q96.4Very high93.7Very high4 Ų438.8 Ų38.82%0.01921%0.21CC..Hα-helixtrans-65.7-43.3-179.1-17059.340.800112.1Y3 K7 L25 A26 A27 A31 I32 E33 F54Y3-Q29 PolarHBondContact OH-NE2 3.4Å; Y3-Q29 PolarHBondContact OH-OE1 3.27Å; K7-Q29 HydrophobicContact CD-CG 4.47Å; L25-Q29 WeakPolarHBondContact O-CB 3.21Å; L25-Q29 PolarHBondContact O-N 3.32Å; A26-Q29 WeakPolarHBondContact O-CB 3.33Å; A26-Q29 PolarHBondContact O-N 3.1Å; A26-Q29 VanDerWaalsContact O-N 3.09Å; A27-Q29 VanDerWaalsContact C-N 3.31Å; A27-Q29 PolarHBondContact O-N 3.24Å; Q29-A31 VanDerWaalsContact C-N 3.33Å; Q29-A31 PolarHBondContact O-N 3.5Å; Q29-I32 PolarHBondContact O-N 3.02Å; Q29-I32 VanDerWaalsContact O-N 3.14Å; Q29-E33 PolarHBondContact NE2-OE1 3.03Å; Q29-E33 PolarHBondContact O-N 3.35Å; Q29-F54 HydrophobicContact CB-CD1 3.78Å; Q29-F54 HydrophobicContact CB-CE1 4.27Å; Q29-F54 HydrophobicContact CG-CD1 3.53Å; Q29-F54 HydrophobicContact CG-CE1 3.83Å
30M95.4Very high93.8Very high0 Ų043.3 Ų43.30%023%0.232CC..Hα-helixtrans-57.9-45.2172-70.2171.5-172.100110.7A26 I32 E33 W34 I47 F54 I83 Y87A26-M30 WeakPolarHBondContact O-CG 3.43Å; A26-M30 PolarHBondContact O-N 2.83Å; M30-I32 VanDerWaalsContact C-N 3.3Å; M30-I32 PolarHBondContact O-N 3.47Å; M30-E33 PolarHBondContact O-N 2.85Å; M30-W34 HydrophobicContact CB-CE3 4.08Å; M30-W34 HydrophobicContact CB-CZ3 4.41Å; M30-W34 HydrophobicContact CG-CE3 4.19Å; M30-W34 HydrophobicContact CG-CH2 4.44Å; M30-W34 HydrophobicContact CG-CZ3 4.06Å; M30-W34 WeakPolarHBondContact O-CA 3.32Å; M30-W34 WeakPolarHBondContact O-CB 3.3Å; M30-W34 PolarHBondContact O-N 3.46Å; M30-W34 HydrophobicContact SD-CZ3 4.16Å; M30-I47 HydrophobicContact CE-CG2 4.02Å; M30-F54 HydrophobicContact CB-CE1 4.4Å; M30-F54 HydrophobicContact CB-CZ 4.47Å; M30-F54 HydrophobicContact CE-CB 4.01Å; M30-F54 HydrophobicContact CE-CD2 3.37Å; M30-F54 HydrophobicContact CE-CE2 3.97Å; M30-F54 HydrophobicContact CE-CG 3.75Å; M30-F54 HydrophobicContact CG-CD1 3.86Å; M30-F54 HydrophobicContact CG-CD2 3.84Å; M30-F54 HydrophobicContact CG-CE1 3.74Å; M30-F54 HydrophobicContact CG-CE2 3.72Å; M30-F54 HydrophobicContact CG-CG 3.9Å; M30-F54 HydrophobicContact CG-CZ 3.67Å; M30-F54 HydrophobicContact SD-CD2 4.47Å; M30-I83 HydrophobicContact CE-CG2 3.91Å; M30-I83 HydrophobicContact SD-CG2 3.9Å; M30-Y87 HydrophobicContact CB-CD1 4.44Å; M30-Y87 HydrophobicContact CB-CD2 3.89Å; M30-Y87 HydrophobicContact CB-CE2 4.09Å; M30-Y87 HydrophobicContact CB-CG 4.15Å
31A96.5Very high93.9Very high6 Ų642.6 Ų42.65%0.0523%0.228CC..Hα-helixtrans-63.1-32.3175.800000113.9A27 I28 Q29 G35 Y87 M90 L98A27-A31 PolarHBondContact O-N 3.33Å; I28-A31 PolarHBondContact O-N 3Å; Q29-A31 VanDerWaalsContact C-N 3.33Å; Q29-A31 PolarHBondContact O-N 3.5Å; A31-G35 VanDerWaalsContact O-CA 3.27Å; A31-G35 WeakPolarHBondContact O-CA 3.32Å; A31-G35 PolarHBondContact O-N 3.28Å; A31-Y87 HydrophobicContact CB-CD2 4.01Å; A31-Y87 HydrophobicContact CB-CE2 3.89Å; A31-M90 HydrophobicContact CB-CB 4.03Å; A31-L98 HydrophobicContact CB-CD1 3.65Å; A31-L98 HydrophobicContact CB-CD2 4.01Å; A31-L98 HydrophobicContact CB-CG 4.5Å
32I96.1Very high93.9Very high19 Ų1942.8 Ų42.810%0.09723%0.228CC..Hα-helixtrans-72-38.5175.9-70.2168.1000111.9Y3 I28 Q29 M30 K95 L98 Q99Y3-I32 HydrophobicContact CD2-CD1 4.5Å; Y3-I32 HydrophobicContact CE2-CD1 3.65Å; I28-I32 HydrophobicContact CG2-CD1 3.91Å; I28-I32 HydrophobicContact CG2-CG1 4.5Å; I28-I32 VanDerWaalsContact O-CG1 3.32Å; I28-I32 WeakPolarHBondContact O-CG1 3.39Å; I28-I32 PolarHBondContact O-N 2.82Å; Q29-I32 PolarHBondContact O-N 3.02Å; Q29-I32 VanDerWaalsContact O-N 3.14Å; M30-I32 VanDerWaalsContact C-N 3.3Å; M30-I32 PolarHBondContact O-N 3.47Å; I32-K95 HydrophobicContact CG2-CG 4.45Å; I32-L98 HydrophobicContact CD1-CB 3.99Å; I32-L98 HydrophobicContact CG1-CB 3.64Å; I32-L98 HydrophobicContact CG1-CD1 4.05Å; I32-L98 HydrophobicContact CG1-CG 4.44Å; I32-Q99 HydrophobicContact CD1-CG 4.05Å
33E95Very high93.6Very high91 Ų9145.6 Ų45.643%0.42525%0.246SC..Hα-helixtrans-89.9-44.1-173.2-69.6-173.7-165.900113.3K7 Q29 M30K7-E33 IonicContact NZ-OE1 3.58Å; K7-E33 PolarHBondContact NZ-OE1 3.28Å; Q29-E33 PolarHBondContact NE2-OE1 3.03Å; Q29-E33 PolarHBondContact O-N 3.35Å; M30-E33 PolarHBondContact O-N 2.85Å
34W95.3Very high93.2Very high69 Ų6948.7 Ų48.726%0.26126%0.261SS..Hα-helixtrans-95.9-16.6-176.5-59.3-13000113M30 L46 I47 A50 F54 Y87M30-W34 HydrophobicContact CB-CE3 4.08Å; M30-W34 HydrophobicContact CB-CZ3 4.41Å; M30-W34 HydrophobicContact CG-CE3 4.19Å; M30-W34 HydrophobicContact CG-CH2 4.44Å; M30-W34 HydrophobicContact CG-CZ3 4.06Å; M30-W34 WeakPolarHBondContact O-CA 3.32Å; M30-W34 WeakPolarHBondContact O-CB 3.3Å; M30-W34 PolarHBondContact O-N 3.46Å; M30-W34 HydrophobicContact SD-CZ3 4.16Å; W34-L46 HydrophobicContact CH2-CD2 4.32Å; W34-L46 HydrophobicContact CH2-CG 4.22Å; W34-L46 HydrophobicContact CZ3-CD2 4.44Å; W34-I47 HydrophobicContact CH2-CG1 4.28Å; W34-I47 HydrophobicContact CZ3-CG1 3.91Å; W34-A50 HydrophobicContact CH2-CB 3.84Å; W34-A50 HydrophobicContact CZ2-CB 3.58Å; W34-F54 HydrophobicContact CD2-CZ 4.42Å; W34-F54 AromaticContact CE2-CZ 3.72Å; W34-F54 AromaticContact CH2-CE2 3.76Å; W34-F54 HydrophobicContact CH2-CE2 3.76Å; W34-F54 HydrophobicContact CH2-CZ 4.26Å; W34-F54 AromaticContact CZ2-CE2 3.43Å; W34-F54 HydrophobicContact CZ2-CE2 3.43Å; W34-F54 VanDerWaalsContact CZ2-CE2 3.43Å; W34-F54 AromaticContact CZ2-CZ 3.66Å; W34-F54 HydrophobicContact CZ2-CZ 3.66Å; W34-F54 AromaticContact NE1-CZ 3.92Å; W34-Y87 AromaticContact CE3-CE1 3.97Å; W34-Y87 HydrophobicContact CE3-CE1 3.97Å; W34-Y87 HydrophobicContact CZ3-CE1 4.49Å
35G93.9Very high92.7Very high20 Ų2048.9 Ų48.921%0.20627%0.267CS..  trans76.2-153.3-179.500000112.9A31 Y87A31-G35 VanDerWaalsContact O-CA 3.27Å; A31-G35 WeakPolarHBondContact O-CA 3.32Å; A31-G35 PolarHBondContact O-N 3.28Å; G35-Y87 WeakPolarHBondContact O-CE2 3.23Å; G35-Y87 PolarHBondContact O-OH 2.87Å
36P92.6Very high92.4Very high99 Ų9951.5 Ų51.564%0.64328%0.281SS*.SBendtrans-53.8142.4-179.6-26.635.6000112.4N38 H42P36-N38 PolarHBondContact O-N 3.25Å; P36-H42 PolarHBondContact O-CE1 3.01Å
37L92.4Very high92Very high45 Ų4551.5 Ų51.524%0.23628%0.281CS..  trans-62.3122.7177.218067.9000110.4H42 M84 Y87 E88 S91L37-H42 HydrophobicContact CD1-CB 3.59Å; L37-M84 HydrophobicContact CD1-CE 3.38Å; L37-M84 HydrophobicContact CD2-CE 4.27Å; L37-Y87 HydrophobicContact CB-CE1 4.49Å; L37-Y87 HydrophobicContact CD1-CD1 3.71Å; L37-Y87 HydrophobicContact CD1-CE1 3.43Å; L37-Y87 VanDerWaalsContact CD1-CE1 3.43Å; L37-E88 HydrophobicContact CD2-CB 3.69Å; L37-E88 HydrophobicContact CD2-CG 3.75Å; L37-S91 WeakPolarHBondContact CB-OG 3.47Å; L37-S91 VanDerWaalsContact N-CB 3.34Å; L37-S91 PolarHBondContact N-OG 3.46Å
38N92.1Very high91.6Very high61 Ų6156.1 Ų56.133%0.32630%0.298SS..  trans-113.9105.4167.2-177.6-16.4000108.5P36 N40 I41 H42P36-N38 PolarHBondContact O-N 3.25Å; N38-N40 PolarHBondContact O-N 3.34Å; N38-N40 WeakPolarHBondContact OD1-CB 3.32Å; N38-N40 PolarHBondContact OD1-N 2.78Å; N38-N40 PolarHBondContact OD1-ND2 3.12Å; N38-I41 HydrophobicContact CB-CB 4.37Å; N38-I41 HydrophobicContact CB-CD1 4.41Å; N38-I41 HydrophobicContact CB-CG1 4.42Å; N38-I41 WeakPolarHBondContact ND2-CD1 3.44Å; N38-I41 PolarHBondContact O-N 3.04Å; N38-H42 PolarHBondContact N-ND1 2.68Å; N38-H42 PolarHBondContact O-N 2.67Å
39S89.7Confident91.1Very high92 Ų9261 Ų6164%0.64332%0.324SS*.THydrogen-bonded Turntrans-60.2-17.3-176.954.30000114.6
40N90.9Very high90.8Very high141 Ų14161.3 Ų61.375%0.75433%0.328SS*.THydrogen-bonded Turntrans-81.4-21.3174.7-57-63.7000113.2N38N38-N40 PolarHBondContact O-N 3.34Å; N38-N40 WeakPolarHBondContact OD1-CB 3.32Å; N38-N40 PolarHBondContact OD1-N 2.78Å; N38-N40 PolarHBondContact OD1-ND2 3.12Å
41I91.3Very high90.5Very high100 Ų10061.4 Ų61.451%0.51333%0.328SS..THydrogen-bonded Turntrans-109.4-53.7-177-57.8177.7000109.6N38 T43 L46N38-I41 HydrophobicContact CB-CB 4.37Å; N38-I41 HydrophobicContact CB-CD1 4.41Å; N38-I41 HydrophobicContact CB-CG1 4.42Å; N38-I41 WeakPolarHBondContact ND2-CD1 3.44Å; N38-I41 PolarHBondContact O-N 3.04Å; I41-T43 PolarHBondContact O-N 3.14Å; I41-L46 HydrophobicContact CG2-CD2 4.48Å
42H91.1Very high90.3Very high19 Ų1966.4 Ų66.49%0.08835%0.35CS..SBendtrans-8369-175.4-54.1151.5000110.5P36 L37 N38 Y87P36-H42 PolarHBondContact O-CE1 3.01Å; L37-H42 HydrophobicContact CD1-CB 3.59Å; N38-H42 PolarHBondContact N-ND1 2.68Å; N38-H42 PolarHBondContact O-N 2.67Å; H42-Y87 HydrophobicContact CB-CE1 4.01Å; H42-Y87 PolarHBondContact CE1-OH 3.14Å; H42-Y87 AromaticContact ND1-CE1 3.76Å; H42-Y87 AromaticContact ND1-CZ 3.8Å; H42-Y87 PolarHBondContact ND1-OH 2.85Å
43T87.2Confident90.1Very high61 Ų6170.2 Ų70.237%0.37437%0.371SS..  trans-82.7161.5175.364.70000111.1I41 H45 L46 I47I41-T43 PolarHBondContact O-N 3.14Å; T43-H45 PolarHBondContact O-N 2.82Å; T43-H45 VanDerWaalsContact O-N 3.16Å; T43-L46 PolarHBondContact O-N 3.19Å; T43-L46 VanDerWaalsContact O-N 3.08Å; T43-L46 PolarHBondContact OG1-N 2.95Å; T43-I47 PolarHBondContact O-N 2.98Å; T43-I47 VanDerWaalsContact O-N 3.09Å
44L83.7Confident90Very high71 Ų7166.2 Ų66.237%0.37235%0.352SS..Hα-helixtrans-55.7-30.9171.6-70.3177.1000112.5I47 R48 E80 M84L44-I47 PolarHBondContact O-N 3.18Å; L44-R48 VanDerWaalsContact O-CG 3.26Å; L44-R48 WeakPolarHBondContact O-CG 3.14Å; L44-R48 PolarHBondContact O-N 3.5Å; L44-E80 HydrophobicContact CD2-CB 4.41Å; L44-M84 HydrophobicContact CD2-CB 4.06Å; L44-M84 HydrophobicContact CD2-CG 4.28Å; L44-M84 HydrophobicContact CD2-SD 3.96Å; L44-M84 HydrophobicContact CG-SD 4.49Å
45H84.8Confident89.9Confident120 Ų12063.1 Ų63.156%0.55634%0.341SS*.Hα-helixtrans-65.3-46.5175.9-177.728.6000111.9T43 I47 R48 D49T43-H45 PolarHBondContact O-N 2.82Å; T43-H45 VanDerWaalsContact O-N 3.16Å; H45-I47 VanDerWaalsContact C-N 3.31Å; H45-I47 PolarHBondContact O-N 3.35Å; H45-R48 WeakPolarHBondContact O-CB 3.26Å; H45-R48 PolarHBondContact O-N 2.93Å; H45-D49 IonicContact CE1-OD1 3.68Å; H45-D49 PolarHBondContact CE1-OD1 3.12Å; H45-D49 IonicContact CE1-OD2 2.77Å; H45-D49 PolarHBondContact CE1-OD2 3.27Å; H45-D49 IonicContact ND1-OD1 3.17Å; H45-D49 PolarHBondContact ND1-OD1 3.15Å; H45-D49 IonicContact ND1-OD2 2.63Å; H45-D49 IonicContact NE2-OD2 3.1Å; H45-D49 PolarHBondContact O-N 3.29Å
46L88.4Confident89.9Confident60 Ų6062.4 Ų62.431%0.31433%0.332SS..Hα-helixtrans-60.6-42.5176-178.269.4000111.4W34 I41 T43 R48 D49 A50W34-L46 HydrophobicContact CH2-CD2 4.32Å; W34-L46 HydrophobicContact CH2-CG 4.22Å; W34-L46 HydrophobicContact CZ3-CD2 4.44Å; I41-L46 HydrophobicContact CG2-CD2 4.48Å; T43-L46 PolarHBondContact O-N 3.19Å; T43-L46 VanDerWaalsContact O-N 3.08Å; T43-L46 PolarHBondContact OG1-N 2.95Å; L46-R48 VanDerWaalsContact C-N 3.33Å; L46-R48 PolarHBondContact O-N 2.77Å; L46-D49 PolarHBondContact O-N 3.18Å; L46-A50 WeakPolarHBondContact O-CB 3.5Å; L46-A50 PolarHBondContact O-N 2.87Å
47I87.4Confident89.8Confident1 Ų165.5 Ų65.51%0.00534%0.338CS..Hα-helixtrans-60.8-43.1177.7-70.3171.3000111.1M30 W34 T43 L44 H45 D49 A50 I51 I83 M84M30-I47 HydrophobicContact CE-CG2 4.02Å; W34-I47 HydrophobicContact CH2-CG1 4.28Å; W34-I47 HydrophobicContact CZ3-CG1 3.91Å; T43-I47 PolarHBondContact O-N 2.98Å; T43-I47 VanDerWaalsContact O-N 3.09Å; L44-I47 PolarHBondContact O-N 3.18Å; H45-I47 VanDerWaalsContact C-N 3.31Å; H45-I47 PolarHBondContact O-N 3.35Å; I47-D49 VanDerWaalsContact C-N 3.32Å; I47-D49 PolarHBondContact O-N 3.23Å; I47-A50 PolarHBondContact O-N 3.47Å; I47-I51 WeakPolarHBondContact O-CA 3.41Å; I47-I51 WeakPolarHBondContact O-CB 3.21Å; I47-I51 PolarHBondContact O-N 3.22Å; I47-I83 HydrophobicContact CG2-CG2 3.97Å; I47-M84 HydrophobicContact CD1-CE 3.4Å; I47-M84 VanDerWaalsContact CD1-CE 3.4Å; I47-M84 HydrophobicContact CD1-SD 3.56Å; I47-M84 VanDerWaalsContact CD1-SD 3.56Å
48R85.9Confident89.6Confident96 Ų9666 Ų6636%0.36234%0.339SS..Hα-helixtrans-61.7-40.5176.7-75.3169.3177.2173.93.7112.3L44 H45 L46 I51 E80L44-R48 VanDerWaalsContact O-CG 3.26Å; L44-R48 WeakPolarHBondContact O-CG 3.14Å; L44-R48 PolarHBondContact O-N 3.5Å; H45-R48 WeakPolarHBondContact O-CB 3.26Å; H45-R48 PolarHBondContact O-N 2.93Å; L46-R48 VanDerWaalsContact C-N 3.33Å; L46-R48 PolarHBondContact O-N 2.77Å; R48-I51 VanDerWaalsContact O-CG2 3.28Å; R48-I51 WeakPolarHBondContact O-CG2 3.38Å; R48-E80 WeakPolarHBondContact CG-OE1 3.27Å; R48-E80 IonicContact CZ-OE1 3.44Å; R48-E80 IonicContact CZ-OE2 3.56Å; R48-E80 VanDerWaalsContact CZ-OE2 3.26Å; R48-E80 IonicContact NE-OE1 3.67Å; R48-E80 PolarHBondContact NE-OE1 3.01Å; R48-E80 IonicContact NE-OE2 3.38Å; R48-E80 PolarHBondContact NE-OE2 3.09Å; R48-E80 IonicContact NH2-OE1 2.78Å; R48-E80 IonicContact NH2-OE2 2.67Å; R48-E80 PolarHBondContact NH2-OE2 2.69Å
49D87.4Confident89.5Confident106 Ų10663.3 Ų63.357%0.56733%0.325SS*.Hα-helixtrans-71.1-35.5-178.9-67.3-6.3000111.5H45 L46 I47H45-D49 IonicContact CE1-OD1 3.68Å; H45-D49 PolarHBondContact CE1-OD1 3.12Å; H45-D49 IonicContact CE1-OD2 2.77Å; H45-D49 PolarHBondContact CE1-OD2 3.27Å; H45-D49 IonicContact ND1-OD1 3.17Å; H45-D49 PolarHBondContact ND1-OD1 3.15Å; H45-D49 IonicContact ND1-OD2 2.63Å; H45-D49 IonicContact NE2-OD2 3.1Å; H45-D49 PolarHBondContact O-N 3.29Å; L46-D49 PolarHBondContact O-N 3.18Å; I47-D49 VanDerWaalsContact C-N 3.32Å; I47-D49 PolarHBondContact O-N 3.23Å
50A90.6Very high89.4Confident11 Ų1159.6 Ų59.69%0.09130%0.298CS..THydrogen-bonded Turntrans-92.84.6-179.900000114.1W34 L46 I47 E52 D53 F54W34-A50 HydrophobicContact CH2-CB 3.84Å; W34-A50 HydrophobicContact CZ2-CB 3.58Å; L46-A50 WeakPolarHBondContact O-CB 3.5Å; L46-A50 PolarHBondContact O-N 2.87Å; I47-A50 PolarHBondContact O-N 3.47Å; A50-E52 PolarHBondContact O-N 3.19Å; A50-E52 VanDerWaalsContact O-N 3.16Å; A50-D53 WeakPolarHBondContact O-CB 3.43Å; A50-D53 PolarHBondContact O-N 3.39Å; A50-F54 HydrophobicContact CB-CD2 4.45Å; A50-F54 HydrophobicContact CB-CE2 3.88Å; A50-F54 WeakPolarHBondContact O-CD2 3.23Å
51I89.3Confident89.2Confident2 Ų257.6 Ų57.61%0.0129%0.293CS..Hα-helixtrans-62.6-30.4-168.7-155.3163.1000113.4I47 R48 D53 F54 F55 L60 V63 R64 I83I47-I51 WeakPolarHBondContact O-CA 3.41Å; I47-I51 WeakPolarHBondContact O-CB 3.21Å; I47-I51 PolarHBondContact O-N 3.22Å; R48-I51 VanDerWaalsContact O-CG2 3.28Å; R48-I51 WeakPolarHBondContact O-CG2 3.38Å; I51-D53 PolarHBondContact O-N 2.91Å; I51-F54 PolarHBondContact O-N 2.95Å; I51-F55 HydrophobicContact CD1-CD2 4.4Å; I51-F55 HydrophobicContact CD1-CE2 4.38Å; I51-F55 HydrophobicContact CG1-CD2 3.49Å; I51-F55 VanDerWaalsContact CG1-CD2 3.49Å; I51-F55 HydrophobicContact CG1-CE2 3.8Å; I51-F55 HydrophobicContact CG1-CG 4.4Å; I51-F55 WeakPolarHBondContact O-CD2 3.44Å; I51-F55 PolarHBondContact O-N 3.19Å; I51-F55 VanDerWaalsContact O-N 3.1Å; I51-L60 HydrophobicContact CG2-CD2 4.09Å; I51-V63 HydrophobicContact CD1-CB 4.3Å; I51-V63 HydrophobicContact CD1-CG1 3.32Å; I51-V63 HydrophobicContact CG1-CG1 4.19Å; I51-R64 HydrophobicContact CG2-CG 4.42Å; I51-I83 HydrophobicContact CD1-CD1 4.44Å
52E90.4Very high88.7Confident110 Ų11056.1 Ų56.151%0.51429%0.291SS..Hα-helixtrans-66.9-22.3177.7-56.3-169.7161.200112.6A50 F54 L60 R64A50-E52 PolarHBondContact O-N 3.19Å; A50-E52 VanDerWaalsContact O-N 3.16Å; E52-F54 VanDerWaalsContact C-N 3.29Å; E52-F54 PolarHBondContact O-N 3.39Å; E52-L60 HydrophobicContact CB-CD1 4.42Å; E52-L60 HydrophobicContact CG-CD1 3.81Å; E52-L60 HydrophobicContact CG-CD2 4.3Å; E52-R64 IonicContact OE1-CZ 3.5Å; E52-R64 IonicContact OE1-NH1 3.26Å; E52-R64 PolarHBondContact OE1-NH1 3.43Å; E52-R64 IonicContact OE1-NH2 3.49Å; E52-R64 PolarHBondContact OE1-NH2 2.92Å
53D92.1Very high88.3Confident100 Ų10055.2 Ų55.254%0.53529%0.287SS..Hα-helixtrans-77.6-19178.7-60.5-35.2000112.4A50 I51A50-D53 WeakPolarHBondContact O-CB 3.43Å; A50-D53 PolarHBondContact O-N 3.39Å; I51-D53 PolarHBondContact O-N 2.91Å
54F93.6Very high87.8Confident7 Ų757.1 Ų57.13%0.03129%0.287CS..Hα-helixtrans-115.8-16.5-172.7-57.6-68.9000114.2A26 Q29 M30 W34 A50 I51 E52A26-F54 HydrophobicContact CB-CB 3.81Å; Q29-F54 HydrophobicContact CB-CD1 3.78Å; Q29-F54 HydrophobicContact CB-CE1 4.27Å; Q29-F54 HydrophobicContact CG-CD1 3.53Å; Q29-F54 HydrophobicContact CG-CE1 3.83Å; M30-F54 HydrophobicContact CB-CE1 4.4Å; M30-F54 HydrophobicContact CB-CZ 4.47Å; M30-F54 HydrophobicContact CE-CB 4.01Å; M30-F54 HydrophobicContact CE-CD2 3.37Å; M30-F54 HydrophobicContact CE-CE2 3.97Å; M30-F54 HydrophobicContact CE-CG 3.75Å; M30-F54 HydrophobicContact CG-CD1 3.86Å; M30-F54 HydrophobicContact CG-CD2 3.84Å; M30-F54 HydrophobicContact CG-CE1 3.74Å; M30-F54 HydrophobicContact CG-CE2 3.72Å; M30-F54 HydrophobicContact CG-CG 3.9Å; M30-F54 HydrophobicContact CG-CZ 3.67Å; M30-F54 HydrophobicContact SD-CD2 4.47Å; W34-F54 HydrophobicContact CD2-CZ 4.42Å; W34-F54 AromaticContact CE2-CZ 3.72Å; W34-F54 AromaticContact CH2-CE2 3.76Å; W34-F54 HydrophobicContact CH2-CE2 3.76Å; W34-F54 HydrophobicContact CH2-CZ 4.26Å; W34-F54 AromaticContact CZ2-CE2 3.43Å; W34-F54 HydrophobicContact CZ2-CE2 3.43Å; W34-F54 VanDerWaalsContact CZ2-CE2 3.43Å; W34-F54 AromaticContact CZ2-CZ 3.66Å; W34-F54 HydrophobicContact CZ2-CZ 3.66Å; W34-F54 AromaticContact NE1-CZ 3.92Å; A50-F54 HydrophobicContact CB-CD2 4.45Å; A50-F54 HydrophobicContact CB-CE2 3.88Å; A50-F54 WeakPolarHBondContact O-CD2 3.23Å; I51-F54 PolarHBondContact O-N 2.95Å; E52-F54 VanDerWaalsContact C-N 3.29Å; E52-F54 PolarHBondContact O-N 3.39Å
55F93.1Very high86.9Confident4 Ų454.4 Ų54.42%0.01828%0.277CS..SBendtrans-119.5143.8-177.9-73.4-92.7000112C22 V23 A26 I51 V59 L60 V63 I83C22-F55 HydrophobicContact CB-CD1 3.79Å; C22-F55 HydrophobicContact CB-CE1 3.81Å; V23-F55 HydrophobicContact CG2-CE1 4Å; V23-F55 HydrophobicContact CG2-CZ 4.09Å; A26-F55 HydrophobicContact CB-CD2 3.95Å; A26-F55 HydrophobicContact CB-CE1 4.01Å; A26-F55 HydrophobicContact CB-CE2 3.35Å; A26-F55 HydrophobicContact CB-CZ 3.38Å; I51-F55 HydrophobicContact CD1-CD2 4.4Å; I51-F55 HydrophobicContact CD1-CE2 4.38Å; I51-F55 HydrophobicContact CG1-CD2 3.49Å; I51-F55 VanDerWaalsContact CG1-CD2 3.49Å; I51-F55 HydrophobicContact CG1-CE2 3.8Å; I51-F55 HydrophobicContact CG1-CG 4.4Å; I51-F55 WeakPolarHBondContact O-CD2 3.44Å; I51-F55 PolarHBondContact O-N 3.19Å; I51-F55 VanDerWaalsContact O-N 3.1Å; F55-V59 HydrophobicContact CD1-CG1 4.14Å; F55-L60 HydrophobicContact CB-CD2 3.73Å; F55-V63 HydrophobicContact CD1-CG2 3.82Å; F55-V63 HydrophobicContact CE1-CG1 4.22Å; F55-V63 HydrophobicContact CE1-CG2 3.8Å; F55-V63 HydrophobicContact CE2-CG1 4.25Å; F55-V63 HydrophobicContact CG-CG2 4.49Å; F55-V63 HydrophobicContact CZ-CG1 4.07Å; F55-V63 HydrophobicContact CZ-CG2 4.45Å; F55-I83 HydrophobicContact CE2-CD1 3.77Å; F55-I83 HydrophobicContact CE2-CG1 4.43Å; F55-I83 HydrophobicContact CZ-CD1 3.57Å; F55-I83 HydrophobicContact CZ-CG1 3.96Å
56P93Very high85.4Confident4 Ų457 Ų573%0.02628%0.281CS..  trans-63.2144.5170.8-17.631.7000111.2T10 H58 V59 L60T10-P56 HydrophobicContact CG2-CG 4.27Å; T10-P56 WeakPolarHBondContact O-CG 3.34Å; P56-H58 VanDerWaalsContact C-N 3.29Å; P56-H58 WeakPolarHBondContact CB-CE1 3.4Å; P56-H58 WeakPolarHBondContact CB-ND1 3.47Å; P56-H58 PolarHBondContact O-N 2.83Å; P56-H58 VanDerWaalsContact O-N 3.16Å; P56-V59 HydrophobicContact CB-CG2 4.22Å; P56-V59 HydrophobicContact CG-CG2 4.25Å; P56-V59 WeakPolarHBondContact O-CB 3.48Å; P56-V59 PolarHBondContact O-N 3.44Å; P56-L60 PolarHBondContact O-N 3.09Å
57E91.3Very high83.6Confident165 Ų16557.2 Ų57.277%0.77129%0.288SS*.G310 helixtrans-52.2-44.1-174.9-172.7-176.9174.200113.4V59 L60E57-V59 PolarHBondContact O-N 3.47Å; E57-L60 HydrophobicContact CG-CD1 4.49Å; E57-L60 WeakPolarHBondContact O-CB 3.45Å; E57-L60 WeakPolarHBondContact O-CG 3.3Å; E57-L60 PolarHBondContact O-N 2.98Å
58H88.4Confident81.5Confident54 Ų5461.3 Ų61.325%0.2531%0.309CS..G310 helixtrans-66.3-16.7-179.566.7-82.1000114.6P56 R152P56-H58 VanDerWaalsContact C-N 3.29Å; P56-H58 WeakPolarHBondContact CB-CE1 3.4Å; P56-H58 WeakPolarHBondContact CB-ND1 3.47Å; P56-H58 PolarHBondContact O-N 2.83Å; P56-H58 VanDerWaalsContact O-N 3.16Å; H58-R152 HydrophobicContact CB-CB 3.95Å; H58-R152 HydrophobicContact CB-CG 3.63Å; H58-R152 WeakPolarHBondContact CD2-CB 3.43Å; H58-R152 VanDerWaalsContact CG-CG 3.46Å
59V89.5Confident79.9Confident6 Ų666.9 Ų66.94%0.03634%0.337CS..G310 helixtrans-94-21.7179.4179.90000111.2V19 C22 F55 P56 E57 P61 S62 V63V19-V59 HydrophobicContact CG2-CG1 4.29Å; C22-V59 HydrophobicContact CB-CG1 4.19Å; F55-V59 HydrophobicContact CD1-CG1 4.14Å; P56-V59 HydrophobicContact CB-CG2 4.22Å; P56-V59 HydrophobicContact CG-CG2 4.25Å; P56-V59 WeakPolarHBondContact O-CB 3.48Å; P56-V59 PolarHBondContact O-N 3.44Å; E57-V59 PolarHBondContact O-N 3.47Å; V59-P61 VanDerWaalsContact C-CD 3.44Å; V59-P61 VanDerWaalsContact C-N 3.35Å; V59-S62 WeakPolarHBondContact O-CB 3.46Å; V59-S62 PolarHBondContact O-N 3.09Å; V59-V63 HydrophobicContact CG1-CG2 3.65Å; V59-V63 PolarHBondContact O-N 2.9Å
60L89Confident78Confident13 Ų1364.9 Ų64.97%0.06834%0.342CS..Hα-helixtrans-52.8-41.6-177.4-63.5174.5000114I51 E52 F55 P56 E57 S62 V63 R64I51-L60 HydrophobicContact CG2-CD2 4.09Å; E52-L60 HydrophobicContact CB-CD1 4.42Å; E52-L60 HydrophobicContact CG-CD1 3.81Å; E52-L60 HydrophobicContact CG-CD2 4.3Å; F55-L60 HydrophobicContact CB-CD2 3.73Å; P56-L60 PolarHBondContact O-N 3.09Å; E57-L60 HydrophobicContact CG-CD1 4.49Å; E57-L60 WeakPolarHBondContact O-CB 3.45Å; E57-L60 WeakPolarHBondContact O-CG 3.3Å; E57-L60 PolarHBondContact O-N 2.98Å; L60-S62 PolarHBondContact O-N 3.16Å; L60-V63 PolarHBondContact O-N 3.49Å; L60-R64 VanDerWaalsContact O-CB 3.23Å; L60-R64 WeakPolarHBondContact O-CB 3.46Å; L60-R64 WeakPolarHBondContact O-CG 3.37Å; L60-R64 PolarHBondContact O-N 3.47Å
61P84.7Confident75.9Confident100 Ų10074.9 Ų74.965%0.64938%0.377SS*.Hα-helixtrans-63.1-27.5178.2-23.635.6000114V59V59-P61 VanDerWaalsContact C-CD 3.44Å; V59-P61 VanDerWaalsContact C-N 3.35Å
62S82.7Confident73.9Confident68 Ų6877.4 Ų77.448%0.47639%0.393SS..Hα-helixtrans-81.4-26.9178.1-570000112.3V59 L60V59-S62 WeakPolarHBondContact O-CB 3.46Å; V59-S62 PolarHBondContact O-N 3.09Å; L60-S62 PolarHBondContact O-N 3.16Å
63V81.7Confident71.7Confident0 Ų076.3 Ų76.30%039%0.389CS..Hα-helixtrans-93-40.2-177.5-177.70000111.2V19 I51 F55 V59 L60 G65 V79 I83V19-V63 HydrophobicContact CG1-CG2 4.01Å; I51-V63 HydrophobicContact CD1-CB 4.3Å; I51-V63 HydrophobicContact CD1-CG1 3.32Å; I51-V63 HydrophobicContact CG1-CG1 4.19Å; F55-V63 HydrophobicContact CD1-CG2 3.82Å; F55-V63 HydrophobicContact CE1-CG1 4.22Å; F55-V63 HydrophobicContact CE1-CG2 3.8Å; F55-V63 HydrophobicContact CE2-CG1 4.25Å; F55-V63 HydrophobicContact CG-CG2 4.49Å; F55-V63 HydrophobicContact CZ-CG1 4.07Å; F55-V63 HydrophobicContact CZ-CG2 4.45Å; V59-V63 HydrophobicContact CG1-CG2 3.65Å; V59-V63 PolarHBondContact O-N 2.9Å; L60-V63 PolarHBondContact O-N 3.49Å; V63-G65 PolarHBondContact O-N 2.82Å; V63-V79 HydrophobicContact CB-CG1 4.39Å; V63-V79 HydrophobicContact CG1-CG1 3.86Å; V63-V79 HydrophobicContact CG2-CG1 4.36Å; V63-I83 HydrophobicContact CG1-CD1 3.78Å
64R77.6Confident69.5Low102 Ų10276.6 Ų76.639%0.38540%0.399SS..SBendtrans-67.7120173.4-72.3179.7161165.1-6.7108.5I51 E52 L60 W66I51-R64 HydrophobicContact CG2-CG 4.42Å; E52-R64 IonicContact OE1-CZ 3.5Å; E52-R64 IonicContact OE1-NH1 3.26Å; E52-R64 PolarHBondContact OE1-NH1 3.43Å; E52-R64 IonicContact OE1-NH2 3.49Å; E52-R64 PolarHBondContact OE1-NH2 2.92Å; L60-R64 VanDerWaalsContact O-CB 3.23Å; L60-R64 WeakPolarHBondContact O-CB 3.46Å; L60-R64 WeakPolarHBondContact O-CG 3.37Å; L60-R64 PolarHBondContact O-N 3.47Å; R64-W66 PolarHBondContact O-N 3.38Å
65G63.8Low67.2Low14 Ų1479.5 Ų79.514%0.14443%0.431CS..  trans-56.2133.8165.600000111.1V63 S67V63-G65 PolarHBondContact O-N 2.82Å; G65-S67 PolarHBondContact O-N 3.46Å
66W52.7Low65Low173 Ų17380.8 Ų80.866%0.65544%0.44SS*.  trans-62.3109.2167.6-163.1-16.2000107.3R64 L68 I73R64-W66 PolarHBondContact O-N 3.38Å; W66-L68 HydrophobicContact CZ2-CD2 4.47Å; W66-I73 HydrophobicContact CB-CD1 4.03Å; W66-I73 HydrophobicContact CD2-CD1 4.5Å; W66-I73 HydrophobicContact CG-CD1 4.26Å; W66-I73 PolarHBondContact O-N 3.1Å; W66-I73 VanDerWaalsContact O-N 3.09Å
67S51Low63.4Low65 Ų6582.8 Ų82.846%0.45546%0.457SS..EExtended strand (participates in β ladder)trans-87.7101.3167.6-179.90000107.5G65 G70 W71G65-S67 PolarHBondContact O-N 3.46Å; S67-G70 WeakPolarHBondContact OG-CA 3.39Å; S67-G70 PolarHBondContact OG-N 3.18Å; S67-G70 VanDerWaalsContact OG-N 3.1Å; S67-W71 WeakPolarHBondContact CA-O 3.23Å
68L44Very low62.4Low87 Ų8777.2 Ų77.246%0.45544%0.444SS..EExtended strand (participates in β ladder)trans-88.3116.2160.4-76.7171000106.1W66 G70 W71 I73W66-L68 HydrophobicContact CZ2-CD2 4.47Å; L68-G70 VanDerWaalsContact C-N 3.34Å; L68-G70 PolarHBondContact O-N 3.46Å; L68-W71 PolarHBondContact N-O 3.39Å; L68-W71 PolarHBondContact O-N 2.95Å; L68-I73 HydrophobicContact CD1-CD1 4.22Å
69F51.4Low62Low213 Ų21376.2 Ų76.293%0.93444%0.441SS*.THydrogen-bonded Turntrans56.237.3176.5-55.5-79.7000115.6W71F69-W71 VanDerWaalsContact C-N 3.31Å; F69-W71 PolarHBondContact O-N 2.88Å
70G47.7Very low61.6Low65 Ų6576.5 Ų76.567%0.6744%0.442SS*.THydrogen-bonded Turntrans84.4-1.3176.400000114.9S67 L68S67-G70 WeakPolarHBondContact OG-CA 3.39Å; S67-G70 PolarHBondContact OG-N 3.18Å; S67-G70 VanDerWaalsContact OG-N 3.1Å; L68-G70 VanDerWaalsContact C-N 3.34Å; L68-G70 PolarHBondContact O-N 3.46Å
71W47.1Very low61.3Low220 Ų22078.4 Ų78.483%0.83346%0.46SS*.EExtended strand (participates in β ladder)trans-104.7120.1172.4-113.732.5000110.3S67 L68 F69 I73S67-W71 WeakPolarHBondContact CA-O 3.23Å; L68-W71 PolarHBondContact N-O 3.39Å; L68-W71 PolarHBondContact O-N 2.95Å; F69-W71 VanDerWaalsContact C-N 3.31Å; F69-W71 PolarHBondContact O-N 2.88Å; W71-I73 PolarHBondContact O-N 3.1Å
72T47.9Very low61.5Low55 Ų5575.3 Ų75.334%0.33744%0.443SS..EExtended strand (participates in β ladder)trans-67.7122.8170.446.10000109.4S74T72-S74 PolarHBondContact O-N 3.37Å
73I44.5Very low61.8Low87 Ų8772.1 Ų72.145%0.44642%0.421SS..  trans-60127.3169.6-58.5176000108.1W66 L68 W71 G75 C76W66-I73 HydrophobicContact CB-CD1 4.03Å; W66-I73 HydrophobicContact CD2-CD1 4.5Å; W66-I73 HydrophobicContact CG-CD1 4.26Å; W66-I73 PolarHBondContact O-N 3.1Å; W66-I73 VanDerWaalsContact O-N 3.09Å; L68-I73 HydrophobicContact CD1-CD1 4.22Å; W71-I73 PolarHBondContact O-N 3.1Å; I73-G75 PolarHBondContact O-N 2.94Å; I73-C76 PolarHBondContact O-N 2.86Å
74S44.4Very low62.2Low107 Ų10773.8 Ų73.875%0.74843%0.429SS*.THydrogen-bonded Turntrans-52.8-13.3-170-169.50000116.3T72T72-S74 PolarHBondContact O-N 3.37Å
75G44.8Very low62.8Low67 Ų6775.1 Ų75.169%0.69144%0.439SS*.THydrogen-bonded Turntrans-73-26.5178.500000114.6I73I73-G75 PolarHBondContact O-N 2.94Å
76C48.7Very low64.3Low31 Ų3176.4 Ų76.421%0.20944%0.442CS..SBendtrans-95.6-10.5-178.9-67.50000114I73 G78 V79I73-C76 PolarHBondContact O-N 2.86Å; C76-G78 PolarHBondContact O-N 3.22Å; C76-G78 VanDerWaalsContact O-N 3.12Å; C76-V79 PolarHBondContact O-N 3.35Å; C76-V79 VanDerWaalsContact O-N 3.15Å
77A57.8Low66.3Low46 Ų4668.2 Ų68.238%0.3841%0.411SS..Hα-helixtrans-56.6-25.8171.600000112A81A77-A81 VanDerWaalsContact O-CB 3.3Å; A77-A81 WeakPolarHBondContact O-CB 3.47Å; A77-A81 PolarHBondContact O-N 2.69Å
78G72Confident68.3Low48 Ų4870.9 Ų70.950%0.49542%0.416SS..Hα-helixtrans-68.1-39.4176.600000114.2C76 A82C76-G78 PolarHBondContact O-N 3.22Å; C76-G78 VanDerWaalsContact O-N 3.12Å; G78-A82 VanDerWaalsContact O-CB 3.32Å; G78-A82 WeakPolarHBondContact O-CB 3.49Å; G78-A82 PolarHBondContact O-N 2.96Å
79V79.9Confident70.7Confident33 Ų3371.7 Ų71.720%0.242%0.417CS..Hα-helixtrans-71.7-43.4-177.4-176.50000110.7V23 V63 C76 A81 A82 I83V23-V79 HydrophobicContact CG2-CG1 3.82Å; V63-V79 HydrophobicContact CB-CG1 4.39Å; V63-V79 HydrophobicContact CG1-CG1 3.86Å; V63-V79 HydrophobicContact CG2-CG1 4.36Å; C76-V79 PolarHBondContact O-N 3.35Å; C76-V79 VanDerWaalsContact O-N 3.15Å; V79-A81 PolarHBondContact O-N 2.87Å; V79-A82 WeakPolarHBondContact O-CB 3.31Å; V79-A82 PolarHBondContact O-N 3.47Å; V79-I83 HydrophobicContact CG1-CD1 4.25Å; V79-I83 VanDerWaalsContact O-CG1 3.32Å; V79-I83 WeakPolarHBondContact O-CG1 3.37Å; V79-I83 PolarHBondContact O-N 2.91Å
80E80.1Confident72.8Confident12 Ų1262.2 Ų62.26%0.05638%0.376CS..Hα-helixtrans-64.1-41177.1-64.6179.8163.800112.1L44 R48 A82 I83 M84L44-E80 HydrophobicContact CD2-CB 4.41Å; R48-E80 WeakPolarHBondContact CG-OE1 3.27Å; R48-E80 IonicContact CZ-OE1 3.44Å; R48-E80 IonicContact CZ-OE2 3.56Å; R48-E80 VanDerWaalsContact CZ-OE2 3.26Å; R48-E80 IonicContact NE-OE1 3.67Å; R48-E80 PolarHBondContact NE-OE1 3.01Å; R48-E80 IonicContact NE-OE2 3.38Å; R48-E80 PolarHBondContact NE-OE2 3.09Å; R48-E80 IonicContact NH2-OE1 2.78Å; R48-E80 IonicContact NH2-OE2 2.67Å; R48-E80 PolarHBondContact NH2-OE2 2.69Å; E80-A82 VanDerWaalsContact C-N 3.33Å; E80-I83 PolarHBondContact O-N 2.84Å; E80-M84 PolarHBondContact O-N 3.2Å
81A82.5Confident75Confident54 Ų5459.9 Ų59.945%0.44635%0.35SS..Hα-helixtrans-61.9-42.6173.200000111.4A77 V79 I83 M84 E85A77-A81 VanDerWaalsContact O-CB 3.3Å; A77-A81 WeakPolarHBondContact O-CB 3.47Å; A77-A81 PolarHBondContact O-N 2.69Å; V79-A81 PolarHBondContact O-N 2.87Å; A81-I83 VanDerWaalsContact C-N 3.35Å; A81-I83 PolarHBondContact O-N 3.31Å; A81-M84 PolarHBondContact O-N 3.32Å; A81-E85 WeakPolarHBondContact O-CB 3.43Å; A81-E85 PolarHBondContact O-N 3.08Å
82A88.6Confident77.3Confident35 Ų3553.7 Ų53.729%0.28935%0.345SS..Hα-helixtrans-63-39175.700000112.1V23 G78 V79 E80 M84 Q86V23-A82 HydrophobicContact CG1-CB 4.41Å; G78-A82 VanDerWaalsContact O-CB 3.32Å; G78-A82 WeakPolarHBondContact O-CB 3.49Å; G78-A82 PolarHBondContact O-N 2.96Å; V79-A82 WeakPolarHBondContact O-CB 3.31Å; V79-A82 PolarHBondContact O-N 3.47Å; E80-A82 VanDerWaalsContact C-N 3.33Å; A82-M84 VanDerWaalsContact C-N 3.34Å; A82-Q86 VanDerWaalsContact O-CB 3.26Å; A82-Q86 WeakPolarHBondContact O-CB 3.49Å; A82-Q86 WeakPolarHBondContact O-CG 3.12Å; A82-Q86 PolarHBondContact O-N 3.06Å
83I90Very high79.5Confident0 Ų053 Ų530%034%0.34CS..Hα-helixtrans-60.7-45.9173.5-67.9163.8000110.2V23 M30 I47 I51 F55 V63 V79 E80 A81 Y87V23-I83 HydrophobicContact CB-CG1 4.4Å; V23-I83 HydrophobicContact CG1-CG1 3.76Å; V23-I83 HydrophobicContact CG2-CG1 4.07Å; M30-I83 HydrophobicContact CE-CG2 3.91Å; M30-I83 HydrophobicContact SD-CG2 3.9Å; I47-I83 HydrophobicContact CG2-CG2 3.97Å; I51-I83 HydrophobicContact CD1-CD1 4.44Å; F55-I83 HydrophobicContact CE2-CD1 3.77Å; F55-I83 HydrophobicContact CE2-CG1 4.43Å; F55-I83 HydrophobicContact CZ-CD1 3.57Å; F55-I83 HydrophobicContact CZ-CG1 3.96Å; V63-I83 HydrophobicContact CG1-CD1 3.78Å; V79-I83 HydrophobicContact CG1-CD1 4.25Å; V79-I83 VanDerWaalsContact O-CG1 3.32Å; V79-I83 WeakPolarHBondContact O-CG1 3.37Å; V79-I83 PolarHBondContact O-N 2.91Å; E80-I83 PolarHBondContact O-N 2.84Å; A81-I83 VanDerWaalsContact C-N 3.35Å; A81-I83 PolarHBondContact O-N 3.31Å; I83-Y87 WeakPolarHBondContact O-CB 3.49Å; I83-Y87 PolarHBondContact O-N 3.01Å
84M89Confident82Confident36 Ų3651.7 Ų51.718%0.17734%0.338CS..Hα-helixtrans-65.1-45.7-178-166.885.7-90.500111.9L37 L44 I47 E80 A81 A82 Y87 E88L37-M84 HydrophobicContact CD1-CE 3.38Å; L37-M84 HydrophobicContact CD2-CE 4.27Å; L44-M84 HydrophobicContact CD2-CB 4.06Å; L44-M84 HydrophobicContact CD2-CG 4.28Å; L44-M84 HydrophobicContact CD2-SD 3.96Å; L44-M84 HydrophobicContact CG-SD 4.49Å; I47-M84 HydrophobicContact CD1-CE 3.4Å; I47-M84 VanDerWaalsContact CD1-CE 3.4Å; I47-M84 HydrophobicContact CD1-SD 3.56Å; I47-M84 VanDerWaalsContact CD1-SD 3.56Å; E80-M84 PolarHBondContact O-N 3.2Å; A81-M84 PolarHBondContact O-N 3.32Å; A82-M84 VanDerWaalsContact C-N 3.34Å; M84-Y87 HydrophobicContact CE-CD1 3.66Å; M84-Y87 HydrophobicContact CE-CE1 4.35Å; M84-Y87 PolarHBondContact O-N 3.04Å; M84-E88 PolarHBondContact O-N 3.36Å
85E91.5Very high84.4Confident129 Ų12952.6 Ų52.660%0.60333%0.328SS*.Hα-helixtrans-61.3-47.9176.7-179.3-178.8-169.100111.5A81 Y87 E88 E89A81-E85 WeakPolarHBondContact O-CB 3.43Å; A81-E85 PolarHBondContact O-N 3.08Å; E85-Y87 VanDerWaalsContact C-N 3.33Å; E85-Y87 PolarHBondContact O-N 2.82Å; E85-E88 PolarHBondContact O-N 3.36Å; E85-E89 PolarHBondContact O-N 3.48Å; E85-E89 VanDerWaalsContact O-N 3.09Å
86Q93.9Very high86.8Confident42 Ų4253.5 Ų53.520%0.19632%0.317CS..Hα-helixtrans-65.6-38177.5-69.3-67.1-63.200111.5V23 A27 A82 E89 M90V23-Q86 HydrophobicContact CG1-CG 4.5Å; A27-Q86 HydrophobicContact CB-CB 3.57Å; A82-Q86 VanDerWaalsContact O-CB 3.26Å; A82-Q86 WeakPolarHBondContact O-CB 3.49Å; A82-Q86 WeakPolarHBondContact O-CG 3.12Å; A82-Q86 PolarHBondContact O-N 3.06Å; Q86-E89 PolarHBondContact O-N 3.09Å; Q86-M90 WeakPolarHBondContact O-CB 3.46Å; Q86-M90 WeakPolarHBondContact O-CG 3.37Å; Q86-M90 PolarHBondContact O-N 2.84Å
87Y94.8Very high89.1Confident0 Ų056.4 Ų56.40%033%0.328CS..Hα-helixtrans-65.2-44.2176.7176-146.4000110.8M30 A31 W34 G35 L37 H42 I83 M84 E85 E89 M90 S91M30-Y87 HydrophobicContact CB-CD1 4.44Å; M30-Y87 HydrophobicContact CB-CD2 3.89Å; M30-Y87 HydrophobicContact CB-CE2 4.09Å; M30-Y87 HydrophobicContact CB-CG 4.15Å; A31-Y87 HydrophobicContact CB-CD2 4.01Å; A31-Y87 HydrophobicContact CB-CE2 3.89Å; W34-Y87 AromaticContact CE3-CE1 3.97Å; W34-Y87 HydrophobicContact CE3-CE1 3.97Å; W34-Y87 HydrophobicContact CZ3-CE1 4.49Å; G35-Y87 WeakPolarHBondContact O-CE2 3.23Å; G35-Y87 PolarHBondContact O-OH 2.87Å; L37-Y87 HydrophobicContact CB-CE1 4.49Å; L37-Y87 HydrophobicContact CD1-CD1 3.71Å; L37-Y87 HydrophobicContact CD1-CE1 3.43Å; L37-Y87 VanDerWaalsContact CD1-CE1 3.43Å; H42-Y87 HydrophobicContact CB-CE1 4.01Å; H42-Y87 PolarHBondContact CE1-OH 3.14Å; H42-Y87 AromaticContact ND1-CE1 3.76Å; H42-Y87 AromaticContact ND1-CZ 3.8Å; H42-Y87 PolarHBondContact ND1-OH 2.85Å; I83-Y87 WeakPolarHBondContact O-CB 3.49Å; I83-Y87 PolarHBondContact O-N 3.01Å; M84-Y87 HydrophobicContact CE-CD1 3.66Å; M84-Y87 HydrophobicContact CE-CE1 4.35Å; M84-Y87 PolarHBondContact O-N 3.04Å; E85-Y87 VanDerWaalsContact C-N 3.33Å; E85-Y87 PolarHBondContact O-N 2.82Å; Y87-E89 VanDerWaalsContact C-N 3.34Å; Y87-E89 PolarHBondContact O-N 2.97Å; Y87-M90 PolarHBondContact O-N 2.92Å; Y87-S91 WeakPolarHBondContact O-CB 3.4Å; Y87-S91 PolarHBondContact O-N 3.08Å; Y87-S91 PolarHBondContact O-OG 3.28Å
88E94.3Very high91Very high121 Ų12154.3 Ų54.357%0.56531%0.31SS*.Hα-helixtrans-53.9-50.8174.7-172.6168.5-166.600111.3L37 M84 E85 M90 S91L37-E88 HydrophobicContact CD2-CB 3.69Å; L37-E88 HydrophobicContact CD2-CG 3.75Å; M84-E88 PolarHBondContact O-N 3.36Å; E85-E88 PolarHBondContact O-N 3.36Å; E88-M90 PolarHBondContact O-N 3.47Å; E88-S91 PolarHBondContact O-N 3.5Å; E88-S91 PolarHBondContact O-OG 3.38Å
89E94.4Very high92.2Very high104 Ų10454.8 Ų54.849%0.48630%0.299SS..Hα-helixtrans-58.8-47.3178.4-168.5-163.5148.800112.3E85 Q86 Y87E85-E89 PolarHBondContact O-N 3.48Å; E85-E89 VanDerWaalsContact O-N 3.09Å; Q86-E89 PolarHBondContact O-N 3.09Å; Y87-E89 VanDerWaalsContact C-N 3.34Å; Y87-E89 PolarHBondContact O-N 2.97Å
90M95.5Very high92.9Very high14 Ų1458.9 Ų58.97%0.06932%0.315CS..Hα-helixtrans-71.6-31.7-177.6-65.2-55134.700112I28 A31 Q86 Y87 E88 A92 L93 L98 R101I28-M90 HydrophobicContact CG1-CG 3.83Å; I28-M90 HydrophobicContact CG1-SD 3.95Å; A31-M90 HydrophobicContact CB-CB 4.03Å; Q86-M90 WeakPolarHBondContact O-CB 3.46Å; Q86-M90 WeakPolarHBondContact O-CG 3.37Å; Q86-M90 PolarHBondContact O-N 2.84Å; Y87-M90 PolarHBondContact O-N 2.92Å; E88-M90 PolarHBondContact O-N 3.47Å; M90-A92 PolarHBondContact O-N 3.42Å; M90-A92 VanDerWaalsContact O-N 3.12Å; M90-L93 WeakPolarHBondContact O-CB 3.38Å; M90-L93 PolarHBondContact O-N 3.31Å; M90-L93 HydrophobicContact SD-CD1 4Å; M90-L98 HydrophobicContact CB-CD2 3.8Å; M90-L98 WeakPolarHBondContact O-CD2 3.46Å; M90-R101 PolarHBondContact SD-NH1 2.99Å
91S94.4Very high93.7Very high16 Ų1662.7 Ų62.711%0.11233%0.329CS..Hα-helixtrans-65.5-17.2-17579.40000114.3L37 Y87 E88 L93L37-S91 WeakPolarHBondContact CB-OG 3.47Å; L37-S91 VanDerWaalsContact N-CB 3.34Å; L37-S91 PolarHBondContact N-OG 3.46Å; Y87-S91 WeakPolarHBondContact O-CB 3.4Å; Y87-S91 PolarHBondContact O-N 3.08Å; Y87-S91 PolarHBondContact O-OG 3.28Å; E88-S91 PolarHBondContact O-N 3.5Å; E88-S91 PolarHBondContact O-OG 3.38Å; S91-L93 VanDerWaalsContact C-N 3.29Å
92A93.4Very high94.4Very high90 Ų9060.4 Ų60.474%0.74431%0.308SS*.THydrogen-bonded Turntrans-77.2-12.1174.900000113.9M90M90-A92 PolarHBondContact O-N 3.42Å; M90-A92 VanDerWaalsContact O-N 3.12Å
93L95.9Very high94.7Very high42 Ų4259.7 Ų59.722%0.2230%0.3CS..SBendtrans-92.6157.9-173.7-57.1173.2000112.4M90 S91 E97 L98 R101M90-L93 WeakPolarHBondContact O-CB 3.38Å; M90-L93 PolarHBondContact O-N 3.31Å; M90-L93 HydrophobicContact SD-CD1 4Å; S91-L93 VanDerWaalsContact C-N 3.29Å; L93-E97 HydrophobicContact CB-CB 4.37Å; L93-L98 HydrophobicContact CB-CD2 4.13Å; L93-L98 HydrophobicContact CB-CG 4.02Å; L93-L98 HydrophobicContact CD1-CD2 4.12Å; L93-R101 VanDerWaalsContact CD1-NH1 3.29Å
94S95.9Very high94.8Very high58 Ų5865.3 Ų65.341%0.40633%0.326SS..  trans-70.2151.1172.870.60000111.5N96 E97 L98S94-N96 PolarHBondContact O-N 3.45Å; S94-N96 VanDerWaalsContact O-N 3.09Å; S94-E97 WeakPolarHBondContact CB-OE2 3.49Å; S94-E97 PolarHBondContact N-OE2 3.44Å; S94-E97 PolarHBondContact O-N 3.02Å; S94-E97 VanDerWaalsContact OG-CG 3.27Å; S94-E97 WeakPolarHBondContact OG-CG 3.4Å; S94-E97 PolarHBondContact OG-N 3.37Å; S94-E97 PolarHBondContact OG-OE2 2.93Å; S94-L98 WeakPolarHBondContact O-CG 3.2Å; S94-L98 PolarHBondContact O-N 2.96Å
95K94.8Very high95Very high127 Ų12765.2 Ų65.255%0.55233%0.326SS*.Hα-helixtrans-52.8-34.3175.4-175.3171-179.6163.60113.4I32 Q99I32-K95 HydrophobicContact CG2-CG 4.45Å; K95-Q99 VanDerWaalsContact O-CG 3.31Å; K95-Q99 WeakPolarHBondContact O-CG 3.5Å; K95-Q99 PolarHBondContact O-N 2.82Å
96N95.5Very high95Very high86 Ų8659.2 Ų59.246%0.4630%0.298SS..Hα-helixtrans-69.3-41.5178.3-170.1-90.7000112S94 K100S94-N96 PolarHBondContact O-N 3.45Å; S94-N96 VanDerWaalsContact O-N 3.09Å; N96-K100 WeakPolarHBondContact O-CG 3.36Å; N96-K100 PolarHBondContact O-N 3.45Å; N96-K100 VanDerWaalsContact O-N 3.08Å; N96-K100 WeakPolarHBondContact OD1-CE 3.33Å; N96-K100 PolarHBondContact OD1-NZ 3.23Å
97E96.7Very high94.7Very high91 Ų9163.4 Ų63.443%0.42531%0.312SS..Hα-helixtrans-66.5-41.1175.8-71163.3143.800111.2L93 S94 K100 R101L93-E97 HydrophobicContact CB-CB 4.37Å; S94-E97 WeakPolarHBondContact CB-OE2 3.49Å; S94-E97 PolarHBondContact N-OE2 3.44Å; S94-E97 PolarHBondContact O-N 3.02Å; S94-E97 VanDerWaalsContact OG-CG 3.27Å; S94-E97 WeakPolarHBondContact OG-CG 3.4Å; S94-E97 PolarHBondContact OG-N 3.37Å; S94-E97 PolarHBondContact OG-OE2 2.93Å; E97-K100 WeakPolarHBondContact O-CB 3.21Å; E97-K100 PolarHBondContact O-N 3.09Å; E97-R101 WeakPolarHBondContact O-CG 3.36Å; E97-R101 PolarHBondContact O-N 2.81Å
98L97.5Very high94.3Very high3 Ų367.5 Ų67.52%0.01633%0.332CS..Hα-helixtrans-59.1-48.8175.4-71.2169.6000112I28 A31 I32 M90 L93 S94 K100 R101 Y102I28-L98 HydrophobicContact CG2-CB 4.07Å; I28-L98 HydrophobicContact CG2-CD2 4.06Å; I28-L98 WeakPolarHBondContact CG2-O 3.33Å; A31-L98 HydrophobicContact CB-CD1 3.65Å; A31-L98 HydrophobicContact CB-CD2 4.01Å; A31-L98 HydrophobicContact CB-CG 4.5Å; I32-L98 HydrophobicContact CD1-CB 3.99Å; I32-L98 HydrophobicContact CG1-CB 3.64Å; I32-L98 HydrophobicContact CG1-CD1 4.05Å; I32-L98 HydrophobicContact CG1-CG 4.44Å; M90-L98 HydrophobicContact CB-CD2 3.8Å; M90-L98 WeakPolarHBondContact O-CD2 3.46Å; L93-L98 HydrophobicContact CB-CD2 4.13Å; L93-L98 HydrophobicContact CB-CG 4.02Å; L93-L98 HydrophobicContact CD1-CD2 4.12Å; S94-L98 WeakPolarHBondContact O-CG 3.2Å; S94-L98 PolarHBondContact O-N 2.96Å; L98-K100 VanDerWaalsContact C-N 3.29Å; L98-K100 PolarHBondContact O-N 3.16Å; L98-R101 PolarHBondContact O-N 3.39Å; L98-Y102 WeakPolarHBondContact O-CB 3.49Å; L98-Y102 PolarHBondContact O-N 3.08Å
99Q96.8Very high94Very high57 Ų5762.1 Ų62.127%0.26631%0.306SS..Hα-helixtrans-60.8-38.1176-73.7176-13.800112.4Y3 I32 K95 L103Y3-Q99 HydrophobicContact CD1-CG 4.18Å; Y3-Q99 HydrophobicContact CD2-CG 4.19Å; Y3-Q99 HydrophobicContact CE1-CG 4.47Å; Y3-Q99 HydrophobicContact CE2-CG 4.48Å; Y3-Q99 HydrophobicContact CG-CB 4.47Å; Y3-Q99 HydrophobicContact CG-CG 4.02Å; I32-Q99 HydrophobicContact CD1-CG 4.05Å; K95-Q99 VanDerWaalsContact O-CG 3.31Å; K95-Q99 WeakPolarHBondContact O-CG 3.5Å; K95-Q99 PolarHBondContact O-N 2.82Å; Q99-L103 WeakPolarHBondContact O-CG 3.32Å; Q99-L103 PolarHBondContact O-N 3.18Å; Q99-L103 VanDerWaalsContact O-N 3.12Å
100K96.2Very high93.5Very high119 Ų11957.6 Ų57.652%0.51729%0.286SS..Hα-helixtrans-65.3-45.3175-76.9169.7174.4162.40111.7N96 E97 L98 L103 Q104N96-K100 WeakPolarHBondContact O-CG 3.36Å; N96-K100 PolarHBondContact O-N 3.45Å; N96-K100 VanDerWaalsContact O-N 3.08Å; N96-K100 WeakPolarHBondContact OD1-CE 3.33Å; N96-K100 PolarHBondContact OD1-NZ 3.23Å; E97-K100 WeakPolarHBondContact O-CB 3.21Å; E97-K100 PolarHBondContact O-N 3.09Å; L98-K100 VanDerWaalsContact C-N 3.29Å; L98-K100 PolarHBondContact O-N 3.16Å; K100-L103 PolarHBondContact O-N 3.18Å; K100-Q104 VanDerWaalsContact O-CG 3.3Å; K100-Q104 WeakPolarHBondContact O-CG 3.33Å; K100-Q104 PolarHBondContact O-N 2.96Å
101R96.2Very high93.1Very high93 Ų9357 Ų5735%0.35128%0.284SS..Hα-helixtrans-62.9-42.2176.8-74.2-169.5-179.2-168.52.4111.8I28 M90 L93 E97 L98 L103 Q104 L105I28-R101 HydrophobicContact CD1-CB 4.09Å; M90-R101 PolarHBondContact SD-NH1 2.99Å; L93-R101 VanDerWaalsContact CD1-NH1 3.29Å; E97-R101 WeakPolarHBondContact O-CG 3.36Å; E97-R101 PolarHBondContact O-N 2.81Å; L98-R101 PolarHBondContact O-N 3.39Å; R101-L103 VanDerWaalsContact C-N 3.31Å; R101-L103 PolarHBondContact O-N 3.3Å; R101-Q104 WeakPolarHBondContact O-CB 3.37Å; R101-Q104 PolarHBondContact O-N 3.12Å; R101-Q104 VanDerWaalsContact O-N 3.16Å; R101-L105 PolarHBondContact O-N 2.88Å
102Y96.3Very high92.8Very high5 Ų559.1 Ų59.12%0.0229%0.29CS..Hα-helixtrans-55.7-48.3174.6-164.7-77.9000111.2Y3 A6 K7 L25 I28 L98 S106Y3-Y102 HydrophobicContact CD2-CD1 4.02Å; Y3-Y102 HydrophobicContact CD2-CG 4.03Å; Y3-Y102 HydrophobicContact CE2-CD1 4.41Å; Y3-Y102 HydrophobicContact CE2-CD2 4.31Å; Y3-Y102 HydrophobicContact CE2-CG 4.16Å; A6-Y102 HydrophobicContact CB-CD1 4.24Å; A6-Y102 HydrophobicContact CB-CE1 3.96Å; K7-Y102 WeakPolarHBondContact CA-OH 3.25Å; L25-Y102 HydrophobicContact CB-CE2 3.9Å; L25-Y102 HydrophobicContact CD2-CD1 4.19Å; L25-Y102 HydrophobicContact CD2-CD2 3.8Å; L25-Y102 HydrophobicContact CD2-CE1 4.09Å; L25-Y102 HydrophobicContact CD2-CE2 3.71Å; L25-Y102 HydrophobicContact CD2-CG 4.03Å; L25-Y102 HydrophobicContact CG-CE2 4.33Å; I28-Y102 HydrophobicContact CB-CD2 4.27Å; I28-Y102 HydrophobicContact CG2-CD2 3.91Å; I28-Y102 HydrophobicContact CG2-CG 4.46Å; L98-Y102 WeakPolarHBondContact O-CB 3.49Å; L98-Y102 PolarHBondContact O-N 3.08Å; Y102-S106 WeakPolarHBondContact CD1-OG 3.07Å; Y102-S106 WeakPolarHBondContact CE1-OG 3.49Å; Y102-S106 WeakPolarHBondContact O-CB 3.3Å; Y102-S106 PolarHBondContact O-N 3.34Å; Y102-S106 PolarHBondContact O-OG 2.6Å
103L94.9Very high92.6Very high21 Ų2157.7 Ų57.711%0.1128%0.283CS..Hα-helixtrans-67.3-35.9177.9-73.3174.4000112.7L2 A6 Q99 K100 R101 R107L2-L103 HydrophobicContact CB-CD1 4.42Å; L2-L103 HydrophobicContact CB-CD2 4.23Å; A6-L103 HydrophobicContact CB-CD2 3.94Å; Q99-L103 WeakPolarHBondContact O-CG 3.32Å; Q99-L103 PolarHBondContact O-N 3.18Å; Q99-L103 VanDerWaalsContact O-N 3.12Å; K100-L103 PolarHBondContact O-N 3.18Å; R101-L103 VanDerWaalsContact C-N 3.31Å; R101-L103 PolarHBondContact O-N 3.3Å; L103-R107 WeakPolarHBondContact O-CB 3.38Å; L103-R107 WeakPolarHBondContact O-CD 3.4Å; L103-R107 WeakPolarHBondContact O-CG 3.32Å; L103-R107 PolarHBondContact O-N 2.84Å
104Q93.4Very high92.5Very high117 Ų11756 Ų5655%0.54728%0.275SS..Hα-helixtrans-62.5-50175.8-77.4169.9-26.100111.1K100 R101 R107K100-Q104 VanDerWaalsContact O-CG 3.3Å; K100-Q104 WeakPolarHBondContact O-CG 3.33Å; K100-Q104 PolarHBondContact O-N 2.96Å; R101-Q104 WeakPolarHBondContact O-CB 3.37Å; R101-Q104 PolarHBondContact O-N 3.12Å; R101-Q104 VanDerWaalsContact O-N 3.16Å; Q104-R107 PolarHBondContact O-N 3.13Å
105L92Very high92.5Very high34 Ų3455 Ų5518%0.17827%0.271CS..Hα-helixtrans-61.2-46.2175.5-70.6175000111.5R24 L25 I28 R101 R107 Q108R24-L105 HydrophobicContact CB-CD1 3.95Å; L25-L105 HydrophobicContact CD2-CB 3.86Å; L25-L105 HydrophobicContact CD2-CD1 4.09Å; I28-L105 HydrophobicContact CD1-CD1 3.59Å; R101-L105 PolarHBondContact O-N 2.88Å; L105-R107 PolarHBondContact O-N 2.94Å; L105-Q108 WeakPolarHBondContact O-CB 3.15Å; L105-Q108 PolarHBondContact O-N 2.94Å; L105-Q108 VanDerWaalsContact O-N 3.12Å
106S91.5Very high92.5Very high4 Ų450.4 Ų50.43%0.02825%0.253CS..Hα-helixtrans-59.5-33.8179.8-62.40000112.8Y102 Q108 H109 Y112Y102-S106 WeakPolarHBondContact CD1-OG 3.07Å; Y102-S106 WeakPolarHBondContact CE1-OG 3.49Å; Y102-S106 WeakPolarHBondContact O-CB 3.3Å; Y102-S106 PolarHBondContact O-N 3.34Å; Y102-S106 PolarHBondContact O-OG 2.6Å; S106-Q108 VanDerWaalsContact C-N 3.3Å; S106-Q108 PolarHBondContact O-N 2.93Å; S106-H109 WeakPolarHBondContact O-CB 3.3Å; S106-H109 PolarHBondContact O-N 3.46Å; S106-Y112 WeakPolarHBondContact O-CB 3.38Å; S106-Y112 VanDerWaalsContact O-CD2 3.24Å; S106-Y112 WeakPolarHBondContact O-CD2 3.46Å
107R89.4Confident92.6Very high129 Ų12946.9 Ų46.949%0.48723%0.234SC..Hα-helixtrans-72.3-19.5180-79.5170.9-171.2142.4-0.6114.3L103 Q104 L105 H109 Y112L103-R107 WeakPolarHBondContact O-CB 3.38Å; L103-R107 WeakPolarHBondContact O-CD 3.4Å; L103-R107 WeakPolarHBondContact O-CG 3.32Å; L103-R107 PolarHBondContact O-N 2.84Å; Q104-R107 PolarHBondContact O-N 3.13Å; L105-R107 PolarHBondContact O-N 2.94Å; R107-H109 PolarHBondContact O-N 3.13Å; R107-Y112 HydrophobicContact CG-CD1 3.92Å; R107-Y112 HydrophobicContact CG-CD2 4.15Å; R107-Y112 HydrophobicContact CG-CE1 3.65Å; R107-Y112 HydrophobicContact CG-CE2 3.85Å; R107-Y112 HydrophobicContact CG-CG 4.17Å
108Q86.2Confident92.7Very high87 Ų8746.2 Ų46.241%0.40723%0.229SC..Hα-helixtrans-72.1-23.3176.9-60.2171.4-42.900111.2L105 S106 F229L105-Q108 WeakPolarHBondContact O-CB 3.15Å; L105-Q108 PolarHBondContact O-N 2.94Å; L105-Q108 VanDerWaalsContact O-N 3.12Å; S106-Q108 VanDerWaalsContact C-N 3.3Å; S106-Q108 PolarHBondContact O-N 2.93Å; Q108-F229 HydrophobicContact CB-CE2 3.72Å; Q108-F229 HydrophobicContact CB-CZ 4.43Å; Q108-F229 WeakPolarHBondContact O-CE2 3.31Å
109H87.2Confident92.7Very high7 Ų746.5 Ų46.53%0.03223%0.233CC..SBendtrans-67133.9-179.6179.6-79.3000111.8P16 L17 S106 R107 G111 Y112 F233P16-H109 PolarHBondContact O-CD2 3.21Å; P16-H109 PolarHBondContact O-NE2 3.18Å; P16-H109 VanDerWaalsContact O-NE2 3.13Å; L17-H109 HydrophobicContact CD2-CB 4.26Å; S106-H109 WeakPolarHBondContact O-CB 3.3Å; S106-H109 PolarHBondContact O-N 3.46Å; R107-H109 PolarHBondContact O-N 3.13Å; H109-G111 VanDerWaalsContact C-N 3.27Å; H109-G111 PolarHBondContact CE1-N 2.84Å; H109-G111 VanDerWaalsContact CE1-N 3.26Å; H109-G111 VanDerWaalsContact ND1-CA 3.28Å; H109-G111 WeakPolarHBondContact ND1-CA 3.24Å; H109-G111 PolarHBondContact ND1-N 3.26Å; H109-G111 PolarHBondContact O-N 3.49Å; H109-Y112 WeakPolarHBondContact O-CB 3.46Å; H109-Y112 PolarHBondContact O-N 2.91Å; H109-F233 AromaticContact CD2-CZ 3.82Å; H109-F233 AromaticContact CE1-CZ 3.98Å; H109-F233 AromaticContact NE2-CZ 3.32Å; H109-F233 VanDerWaalsContact NE2-CZ 3.32Å; H109-F233 WeakPolarHBondContact NE2-CZ 3.17Å
110P84.4Confident92.7Very high10 Ų1047.3 Ų47.37%0.06524%0.239CC..THydrogen-bonded Turntrans-58.6-36.1-175.6-26.736.5000114.1N140 W143 T157 L225 F233P110-N140 PolarHBondContact O-ND2 2.68Å; P110-W143 HydrophobicContact CB-CG 4.44Å; P110-T157 HydrophobicContact CB-CG2 4.42Å; P110-L225 HydrophobicContact CB-CD2 3.67Å; P110-L225 HydrophobicContact CG-CD2 3.29Å; P110-F233 HydrophobicContact CG-CD2 4.01Å; P110-F233 HydrophobicContact CG-CE2 4.02Å; P110-F233 HydrophobicContact CG-CG 4.36Å; P110-F233 HydrophobicContact CG-CZ 4.43Å
111G86Confident92.6Very high2 Ų241.7 Ų41.72%0.02122%0.215CC..THydrogen-bonded Turntrans-85.314.3174.600000116R15 H109 G113 S114R15-G111 WeakPolarHBondContact CD-O 3.33Å; H109-G111 VanDerWaalsContact C-N 3.27Å; H109-G111 PolarHBondContact CE1-N 2.84Å; H109-G111 VanDerWaalsContact CE1-N 3.26Å; H109-G111 VanDerWaalsContact ND1-CA 3.28Å; H109-G111 WeakPolarHBondContact ND1-CA 3.24Å; H109-G111 PolarHBondContact ND1-N 3.26Å; H109-G111 PolarHBondContact O-N 3.49Å; G111-G113 PolarHBondContact O-N 3.37Å; G111-S114 WeakPolarHBondContact CA-OG 3.48Å; G111-S114 WeakPolarHBondContact O-CB 3.49Å; G111-S114 PolarHBondContact O-N 3.39Å; G111-S114 PolarHBondContact O-OG 3.12Å
112Y88.5Confident92.5Very high60 Ų6038.7 Ų38.724%0.23521%0.205CC..THydrogen-bonded Turntrans-61.9137.8173.4-178.1-92.3000111S106 R107 H109 S114 N140S106-Y112 WeakPolarHBondContact O-CB 3.38Å; S106-Y112 VanDerWaalsContact O-CD2 3.24Å; S106-Y112 WeakPolarHBondContact O-CD2 3.46Å; R107-Y112 HydrophobicContact CG-CD1 3.92Å; R107-Y112 HydrophobicContact CG-CD2 4.15Å; R107-Y112 HydrophobicContact CG-CE1 3.65Å; R107-Y112 HydrophobicContact CG-CE2 3.85Å; R107-Y112 HydrophobicContact CG-CG 4.17Å; H109-Y112 WeakPolarHBondContact O-CB 3.46Å; H109-Y112 PolarHBondContact O-N 2.91Å; Y112-S114 PolarHBondContact O-N 3.46Å; Y112-N140 PolarHBondContact O-ND2 2.86Å
113G89Confident92.3Very high59 Ų5939 Ų3961%0.60821%0.207SC*.THydrogen-bonded Turntrans67.516.7-17900000114.8G111G111-G113 PolarHBondContact O-N 3.37Å
114S93.3Very high92.1Very high6 Ų641.9 Ų41.94%0.04222%0.219CC..  trans-78.2145.4179.9-51.50000112.6G111 Y112 I139 N140G111-S114 WeakPolarHBondContact CA-OG 3.48Å; G111-S114 WeakPolarHBondContact O-CB 3.49Å; G111-S114 PolarHBondContact O-N 3.39Å; G111-S114 PolarHBondContact O-OG 3.12Å; Y112-S114 PolarHBondContact O-N 3.46Å; S114-I139 CarbonylContact C-O 3.48Å; S114-I139 VanDerWaalsContact CA-O 3.22Å; S114-I139 WeakPolarHBondContact CA-O 3.36Å; S114-I139 WeakPolarHBondContact CB-O 3.48Å; S114-N140 WeakPolarHBondContact OG-CB 3.36Å
115A95.7Very high91.6Very high38 Ų3838.2 Ų38.231%0.31421%0.206SC..EExtended strand (participates in β ladder)trans-70145.4154.300000109.4F117 T138 I139 L207A115-F117 HydrophobicContact CB-CE2 3.59Å; A115-F117 HydrophobicContact CB-CZ 3.86Å; A115-T138 VanDerWaalsContact O-CA 3.3Å; A115-T138 WeakPolarHBondContact O-CA 3.33Å; A115-I139 PolarHBondContact N-O 2.79Å; A115-I139 PolarHBondContact O-N 3.5Å; A115-L207 HydrophobicContact CB-CD2 3.84Å
116V96Very high91.2Very high30 Ų3046.1 Ų46.118%0.18223%0.234CC..EExtended strand (participates in β ladder)trans-114.7128.3-178.3-175.80000108.9Y9 Y14 F118 I136 T138Y9-V116 HydrophobicContact CD1-CG2 4.39Å; Y9-V116 HydrophobicContact CE1-CG2 3.54Å; Y14-V116 HydrophobicContact CD1-CG1 4.27Å; Y14-V116 HydrophobicContact CG-CG1 4.31Å; V116-F118 HydrophobicContact CG1-CE2 4.16Å; V116-F118 HydrophobicContact CG1-CZ 3.95Å; V116-I136 HydrophobicContact CG1-CG2 3.68Å; V116-T138 HydrophobicContact CG2-CG2 4.36Å
117F97.8Very high90.4Very high13 Ų1355.8 Ų55.86%0.05727%0.27CS..EExtended strand (participates in β ladder)trans-126.3164.6176.6-53.8-88.6000109.6A115 V137 I139 Q200 L203 M204 L207A115-F117 HydrophobicContact CB-CE2 3.59Å; A115-F117 HydrophobicContact CB-CZ 3.86Å; F117-V137 HydrophobicContact CB-CB 4.27Å; F117-V137 PolarHBondContact N-O 2.93Å; F117-V137 PolarHBondContact O-N 3.22Å; F117-I139 HydrophobicContact CD2-CD1 4.04Å; F117-I139 HydrophobicContact CD2-CG1 4.26Å; F117-I139 HydrophobicContact CE2-CB 4.3Å; F117-I139 HydrophobicContact CE2-CD1 3.86Å; F117-I139 HydrophobicContact CE2-CG1 4.17Å; F117-Q200 HydrophobicContact CD1-CB 4.02Å; F117-L203 HydrophobicContact CE1-CD2 3.86Å; F117-L203 HydrophobicContact CE1-CG 3.97Å; F117-M204 HydrophobicContact CB-CG 4.04Å; F117-M204 HydrophobicContact CB-SD 3.55Å; F117-M204 VanDerWaalsContact CB-SD 3.55Å; F117-M204 HydrophobicContact CD1-CG 3.64Å; F117-M204 HydrophobicContact CD1-SD 4.31Å; F117-M204 HydrophobicContact CD2-CG 3.77Å; F117-M204 HydrophobicContact CD2-SD 4.1Å; F117-M204 HydrophobicContact CE1-CG 3.96Å; F117-M204 HydrophobicContact CE2-CG 4.08Å; F117-M204 HydrophobicContact CG-CG 3.53Å; F117-M204 HydrophobicContact CG-SD 3.74Å; F117-M204 HydrophobicContact CZ-CG 4.17Å; F117-L207 HydrophobicContact CE2-CD2 3.71Å; F117-L207 HydrophobicContact CZ-CD2 3.74Å
118F97.7Very high89.5Confident76 Ų7661 Ų6133%0.33329%0.289SS..EExtended strand (participates in β ladder)trans-128144.8-179.5-58.1-90.1000109.8Y14 V116 A135 I136 S198Y14-F118 HydrophobicContact CD1-CZ 4.47Å; Y14-F118 HydrophobicContact CE1-CE1 4.03Å; Y14-F118 AromaticContact CE1-CZ 3.81Å; Y14-F118 HydrophobicContact CE1-CZ 3.81Å; V116-F118 HydrophobicContact CG1-CE2 4.16Å; V116-F118 HydrophobicContact CG1-CZ 3.95Å; F118-A135 WeakPolarHBondContact CA-O 3.43Å; F118-I136 HydrophobicContact CD1-CG1 4.18Å; F118-I136 HydrophobicContact CE1-CG1 3.98Å; F118-S198 VanDerWaalsContact O-CB 3.32Å; F118-S198 WeakPolarHBondContact O-CB 3.17Å; F118-S198 PolarHBondContact O-OG 3.31Å
119G97.3Very high89.5Confident10 Ų1064.8 Ų64.810%0.10330%0.3CS..EExtended strand (participates in β ladder)trans-161.6-176.2177.900000112.3A135 A197G119-A135 PolarHBondContact N-O 3.45Å; G119-A135 PolarHBondContact O-N 2.83Å; G119-A197 CarbonylContact C-O 3.53Å; G119-A197 WeakPolarHBondContact CA-O 3.1Å
120L96.7Very high89.5Confident74 Ų7467.7 Ų67.739%0.38732%0.318SS..EExtended strand (participates in β ladder)trans-113.4133.7172.1-60.2175.4000108.8H132 V133 P134 A197L120-H132 HydrophobicContact CB-CB 4.48Å; L120-V133 WeakPolarHBondContact CA-O 3.49Å; L120-P134 HydrophobicContact CD2-CB 4.43Å; L120-A197 HydrophobicContact CB-CB 4.32Å; L120-A197 PolarHBondContact N-O 2.91Å; L120-A197 PolarHBondContact O-N 3Å
121I95.1Very high89.8Confident1 Ų174.3 Ų74.31%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-118.6156.2169.964.1-178.6000108.8L123 H132 V133 A135 I146 L155 I196I121-L123 HydrophobicContact CD1-CD2 3.83Å; I121-L123 HydrophobicContact CD1-CG 4.42Å; I121-L123 HydrophobicContact CG1-CD2 4.15Å; I121-L123 HydrophobicContact CG1-CG 4.39Å; I121-H132 CarbonylContact O-C 3.58Å; I121-H132 VanDerWaalsContact O-CA 3.3Å; I121-H132 WeakPolarHBondContact O-CA 3.26Å; I121-V133 HydrophobicContact CD1-CG2 4Å; I121-V133 HydrophobicContact CG1-CG2 3.48Å; I121-V133 VanDerWaalsContact CG1-CG2 3.48Å; I121-V133 PolarHBondContact N-O 2.83Å; I121-V133 PolarHBondContact O-N 2.69Å; I121-A135 HydrophobicContact CD1-CB 3.83Å; I121-A135 HydrophobicContact CG1-CB 3.95Å; I121-A135 HydrophobicContact CG2-CB 3.93Å; I121-I146 HydrophobicContact CD1-CG2 3.94Å; I121-I146 HydrophobicContact CG2-CG2 4.25Å; I121-L155 HydrophobicContact CD1-CD1 3.14Å; I121-I196 HydrophobicContact CG2-CB 4.35Å; I121-I196 HydrophobicContact CG2-CG1 3.89Å; I121-I196 HydrophobicContact CG2-CG2 4.22Å
122E93.4Very high90.2Very high29 Ų2979.6 Ų79.614%0.13637%0.366CS..EExtended strand (participates in β ladder)trans-97.5124.7177.6-165.1-179.1172.500109.2T130 R131 V241 S258E122-T130 HydrophobicContact CG-CG2 4.42Å; E122-T130 WeakPolarHBondContact OE1-CB 3.39Å; E122-T130 WeakPolarHBondContact OE1-CG2 3.4Å; E122-T130 PolarHBondContact OE1-OG1 2.83Å; E122-R131 WeakPolarHBondContact CA-O 3.48Å; E122-V241 HydrophobicContact CB-CB 3.93Å; E122-V241 HydrophobicContact CB-CG1 4.5Å; E122-V241 HydrophobicContact CB-CG2 4.12Å; E122-V241 HydrophobicContact CG-CB 3.99Å; E122-V241 HydrophobicContact CG-CG1 4.36Å; E122-V241 HydrophobicContact CG-CG2 3.71Å; E122-V241 WeakPolarHBondContact O-CB 3.4Å; E122-V241 PolarHBondContact O-N 2.86Å; E122-S258 WeakPolarHBondContact OE2-CB 3.47Å; E122-S258 PolarHBondContact OE2-OG 3.03Å
123L93Very high90.5Very high12 Ų1277.1 Ų77.16%0.06336%0.357CS..EExtended strand (participates in β ladder)trans-114146.4178.2-62.5-171.1000111.7I121 T130 R131 V133 L155 T239 V240I121-L123 HydrophobicContact CD1-CD2 3.83Å; I121-L123 HydrophobicContact CD1-CG 4.42Å; I121-L123 HydrophobicContact CG1-CD2 4.15Å; I121-L123 HydrophobicContact CG1-CG 4.39Å; L123-T130 WeakPolarHBondContact O-CA 3.48Å; L123-R131 PolarHBondContact N-O 2.95Å; L123-R131 PolarHBondContact O-N 2.92Å; L123-R131 VanDerWaalsContact O-N 3.08Å; L123-V133 HydrophobicContact CB-CG1 4.48Å; L123-V133 HydrophobicContact CD1-CB 4.38Å; L123-V133 HydrophobicContact CD1-CG1 3.98Å; L123-V133 HydrophobicContact CD1-CG2 3.55Å; L123-V133 HydrophobicContact CD2-CG2 4.49Å; L123-V133 HydrophobicContact CG-CG1 4.19Å; L123-V133 HydrophobicContact CG-CG2 3.61Å; L123-L155 HydrophobicContact CD2-CD1 4.11Å; L123-T239 CarbonylContact C-O 3.45Å; L123-T239 WeakPolarHBondContact CA-O 3.48Å; L123-T239 WeakPolarHBondContact CB-O 3.5Å; L123-T239 WeakPolarHBondContact CD2-O 3.37Å; L123-V240 HydrophobicContact CD2-CB 4.1Å; L123-V240 HydrophobicContact CD2-CG1 4.23Å; L123-V240 HydrophobicContact CD2-CG2 3.71Å
124H89.7Confident90.9Very high82 Ų8276.5 Ų76.538%0.3834%0.342SS..EExtended strand (participates in β ladder)trans-68.3135.6168-68.9-67.4000110.9D238 T239H124-D238 PolarHBondContact CD2-O 3.04Å; H124-T239 PolarHBondContact N-O 2.9Å
125C84Confident91Very high40 Ų4076.2 Ų76.227%0.2734%0.34SS..  trans-118.1176.8174.1-680000110.4W127 R129 R131C125-W127 PolarHBondContact O-N 3.38Å; C125-R129 WeakPolarHBondContact CA-O 3.24Å; C125-R129 HydrophobicContact CB-CB 4.41Å; C125-R129 VanDerWaalsContact CB-O 3.31Å; C125-R129 WeakPolarHBondContact CB-O 3.39Å; C125-R129 PolarHBondContact N-O 3.03Å; C125-R131 WeakPolarHBondContact SG-CD 3.32Å; C125-R131 WeakPolarHBondContact SG-CG 3.17Å; C125-R131 PolarHBondContact SG-NE 3.5Å; C125-R131 VanDerWaalsContact SG-NE 3.38Å
126R83.2Confident91.1Very high199 Ų19974.4 Ų74.475%0.75133%0.325SS*.G310 helixtrans-53.9135.2174.5-58.3-176.987.8167.66.7110.4
127W75.2Confident91.2Very high208 Ų20873 Ų7379%0.78832%0.317SS*.G310 helixtrans69.840.8175.9-40.8101000115.3C125 R129C125-W127 PolarHBondContact O-N 3.38Å; W127-R129 PolarHBondContact O-N 3.27Å
128W70.4Confident91.1Very high237 Ų23772.5 Ų72.590%0.89832%0.315SS*.G310 helixtrans60.59.9177.7-49.3109.6000115.5
129R85.2Confident91Very high168 Ų16869 Ų6963%0.63430%0.3SS*.  trans-73.8146.4171.5-70.2-169-68.4159.7-4.6109.3C125 W127C125-R129 WeakPolarHBondContact CA-O 3.24Å; C125-R129 HydrophobicContact CB-CB 4.41Å; C125-R129 VanDerWaalsContact CB-O 3.31Å; C125-R129 WeakPolarHBondContact CB-O 3.39Å; C125-R129 PolarHBondContact N-O 3.03Å; W127-R129 PolarHBondContact O-N 3.27Å
130T88.1Confident90.8Very high67 Ų6769.4 Ų69.441%0.41130%0.299SS..EExtended strand (participates in β ladder)trans-110.2156.4172.363.80000109.7E122 L123 V241E122-T130 HydrophobicContact CG-CG2 4.42Å; E122-T130 WeakPolarHBondContact OE1-CB 3.39Å; E122-T130 WeakPolarHBondContact OE1-CG2 3.4Å; E122-T130 PolarHBondContact OE1-OG1 2.83Å; L123-T130 WeakPolarHBondContact O-CA 3.48Å; T130-V241 HydrophobicContact CG2-CG2 3.53Å
131R91.2Very high90.6Very high150 Ų15069.8 Ų69.857%0.56631%0.308SS*.EExtended strand (participates in β ladder)trans-144.1145.7169.472.2-176.6172.8170.4-0.9109.6E122 L123 C125 V133E122-R131 WeakPolarHBondContact CA-O 3.48Å; L123-R131 PolarHBondContact N-O 2.95Å; L123-R131 PolarHBondContact O-N 2.92Å; L123-R131 VanDerWaalsContact O-N 3.08Å; C125-R131 WeakPolarHBondContact SG-CD 3.32Å; C125-R131 WeakPolarHBondContact SG-CG 3.17Å; C125-R131 PolarHBondContact SG-NE 3.5Å; C125-R131 VanDerWaalsContact SG-NE 3.38Å; R131-V133 HydrophobicContact CG-CG1 3.78Å
132H92.6Very high90.3Very high113 Ų11370.2 Ų70.252%0.52331%0.311SS..EExtended strand (participates in β ladder)trans-73132.6165.4-67.2-71000109.5L120 I121L120-H132 HydrophobicContact CB-CB 4.48Å; I121-H132 CarbonylContact O-C 3.58Å; I121-H132 VanDerWaalsContact O-CA 3.3Å; I121-H132 WeakPolarHBondContact O-CA 3.26Å
133V95.1Very high90.3Very high8 Ų870.3 Ų70.35%0.04831%0.31CS..EExtended strand (participates in β ladder)trans-123.7145.9172.7-54.50000109.7L120 I121 L123 R131L120-V133 WeakPolarHBondContact CA-O 3.49Å; I121-V133 HydrophobicContact CD1-CG2 4Å; I121-V133 HydrophobicContact CG1-CG2 3.48Å; I121-V133 VanDerWaalsContact CG1-CG2 3.48Å; I121-V133 PolarHBondContact N-O 2.83Å; I121-V133 PolarHBondContact O-N 2.69Å; L123-V133 HydrophobicContact CB-CG1 4.48Å; L123-V133 HydrophobicContact CD1-CB 4.38Å; L123-V133 HydrophobicContact CD1-CG1 3.98Å; L123-V133 HydrophobicContact CD1-CG2 3.55Å; L123-V133 HydrophobicContact CD2-CG2 4.49Å; L123-V133 HydrophobicContact CG-CG1 4.19Å; L123-V133 HydrophobicContact CG-CG2 3.61Å; R131-V133 HydrophobicContact CG-CG1 3.78Å
134P97.4Very high90.4Very high46 Ų4669.8 Ų69.830%0.29931%0.307SS..EExtended strand (participates in β ladder)trans-64.2137.4170.128.2-34.1000110.8L120 E149L120-P134 HydrophobicContact CD2-CB 4.43Å; P134-E149 HydrophobicContact CB-CB 3.8Å; P134-E149 HydrophobicContact CB-CG 4.47Å; P134-E149 VanDerWaalsContact CB-OE2 3.32Å; P134-E149 WeakPolarHBondContact CB-OE2 3.37Å; P134-E149 HydrophobicContact CG-CB 4.05Å; P134-E149 VanDerWaalsContact O-CB 3.3Å; P134-E149 WeakPolarHBondContact O-CB 3.48Å; P134-E149 PolarHBondContact O-N 3.02Å
135A97Very high90.7Very high0 Ų066 Ų660%029%0.29CS..EExtended strand (participates in β ladder)trans-133.9141.3-179.500000111F118 G119 I121 I146 I147F118-A135 WeakPolarHBondContact CA-O 3.43Å; G119-A135 PolarHBondContact N-O 3.45Å; G119-A135 PolarHBondContact O-N 2.83Å; I121-A135 HydrophobicContact CD1-CB 3.83Å; I121-A135 HydrophobicContact CG1-CB 3.95Å; I121-A135 HydrophobicContact CG2-CB 3.93Å; A135-I146 HydrophobicContact CB-CG2 4.14Å; A135-I147 CarbonylContact C-O 3.52Å; A135-I147 VanDerWaalsContact CA-O 3.24Å; A135-I147 WeakPolarHBondContact CA-O 3.36Å
136I97Very high91.2Very high0 Ų064.2 Ų64.20%028%0.278CS..EExtended strand (participates in β ladder)trans-92.2130.3167.8-61.2161.9000107.3Y14 V116 F118 T138 I147 E149 R152Y14-I136 HydrophobicContact CD1-CD1 3.99Å; V116-I136 HydrophobicContact CG1-CG2 3.68Å; F118-I136 HydrophobicContact CD1-CG1 4.18Å; F118-I136 HydrophobicContact CE1-CG1 3.98Å; I136-T138 HydrophobicContact CG2-CG2 3.97Å; I136-I147 HydrophobicContact CB-CB 4.28Å; I136-I147 PolarHBondContact N-O 3.26Å; I136-I147 PolarHBondContact O-N 2.85Å; I136-E149 HydrophobicContact CD1-CG 4.12Å; I136-E149 HydrophobicContact CG1-CB 4.24Å; I136-E149 HydrophobicContact CG1-CG 4Å; I136-R152 VanDerWaalsContact CD1-NH1 3.29Å
137V97.3Very high91.8Very high0 Ų054.8 Ų54.80%024%0.242CC..EExtended strand (participates in β ladder)trans-113.8120.8174.4-174.60000108F117 I139 L144 C145 I196 M204F117-V137 HydrophobicContact CB-CB 4.27Å; F117-V137 PolarHBondContact N-O 2.93Å; F117-V137 PolarHBondContact O-N 3.22Å; V137-I139 HydrophobicContact CG1-CD1 4.37Å; V137-I139 HydrophobicContact CG1-CG1 4.14Å; V137-L144 HydrophobicContact CG1-CD1 4.24Å; V137-L144 HydrophobicContact CG1-CG 4.22Å; V137-C145 CarbonylContact C-O 3.53Å; V137-C145 WeakPolarHBondContact CA-O 3.28Å; V137-I196 HydrophobicContact CG1-CD1 4.46Å; V137-I196 HydrophobicContact CG2-CD1 3.91Å; V137-I196 HydrophobicContact CG2-CG2 4.06Å; V137-M204 HydrophobicContact CB-SD 4.26Å; V137-M204 HydrophobicContact CG1-SD 4.15Å
138T96.1Very high92.8Very high3 Ų345.5 Ų45.52%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-112.1128.3176.770.30000110.3A115 V116 I136 L144 C145 I147A115-T138 VanDerWaalsContact O-CA 3.3Å; A115-T138 WeakPolarHBondContact O-CA 3.33Å; V116-T138 HydrophobicContact CG2-CG2 4.36Å; I136-T138 HydrophobicContact CG2-CG2 3.97Å; T138-L144 WeakPolarHBondContact O-CA 3.3Å; T138-C145 PolarHBondContact N-O 2.72Å; T138-C145 PolarHBondContact O-N 3.18Å; T138-C145 WeakPolarHBondContact OG1-CB 3.38Å; T138-I147 HydrophobicContact CG2-CD1 4.25Å
139I96.2Very high94Very high2 Ų237.3 Ų37.31%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-125.8123.4-178.8-53177000108.8S114 A115 F117 V137 L144 I160 M204 L207 L208S114-I139 CarbonylContact C-O 3.48Å; S114-I139 VanDerWaalsContact CA-O 3.22Å; S114-I139 WeakPolarHBondContact CA-O 3.36Å; S114-I139 WeakPolarHBondContact CB-O 3.48Å; A115-I139 PolarHBondContact N-O 2.79Å; A115-I139 PolarHBondContact O-N 3.5Å; F117-I139 HydrophobicContact CD2-CD1 4.04Å; F117-I139 HydrophobicContact CD2-CG1 4.26Å; F117-I139 HydrophobicContact CE2-CB 4.3Å; F117-I139 HydrophobicContact CE2-CD1 3.86Å; F117-I139 HydrophobicContact CE2-CG1 4.17Å; V137-I139 HydrophobicContact CG1-CD1 4.37Å; V137-I139 HydrophobicContact CG1-CG1 4.14Å; I139-L144 HydrophobicContact CD1-CD1 4.19Å; I139-L144 HydrophobicContact CG1-CD1 4.11Å; I139-L144 HydrophobicContact CG1-CG 4.27Å; I139-I160 HydrophobicContact CG2-CD1 4.16Å; I139-M204 HydrophobicContact CD1-CB 3.97Å; I139-M204 HydrophobicContact CD1-CG 4.09Å; I139-L207 HydrophobicContact CB-CD2 3.84Å; I139-L207 HydrophobicContact CD1-CD2 4.42Å; I139-L207 HydrophobicContact CG2-CD2 3.79Å; I139-L207 HydrophobicContact CG2-CG 4.07Å; I139-L208 HydrophobicContact CD1-CD1 4.46Å; I139-L208 HydrophobicContact CD1-CD2 4.27Å; I139-L208 HydrophobicContact CD1-CG 4.14Å; I139-L208 HydrophobicContact CG2-CD2 3.73Å; I139-L208 HydrophobicContact CG2-CG 4.37Å
140N93.2Very high94.3Very high19 Ų1934.8 Ų34.810%0.10218%0.183CC..  trans-125-164.5170.270.117.2000111.6P110 Y112 S114 C142 W143 I160P110-N140 PolarHBondContact O-ND2 2.68Å; Y112-N140 PolarHBondContact O-ND2 2.86Å; S114-N140 WeakPolarHBondContact OG-CB 3.36Å; N140-C142 PolarHBondContact O-N 2.85Å; N140-C142 PolarHBondContact OD1-N 2.89Å; N140-W143 PolarHBondContact N-O 3.33Å; N140-W143 VanDerWaalsContact N-O 3.08Å; N140-W143 PolarHBondContact OD1-N 2.68Å; N140-W143 PolarHBondContact OD1-O 3.49Å; N140-I160 WeakPolarHBondContact O-CD1 3.47Å
141S91.5Very high94.5Very high81 Ų8134.1 Ų34.157%0.56618%0.181SC*.SBendtrans-69.61.8-177.868.40000114.9Q215S141-Q215 PolarHBondContact O-NE2 2.81Å
142C90Very high94.6Very high10 Ų1029.1 Ų29.17%0.06816%0.163CC..SBendtrans-143.8-40-174.4-168.20000113.4N140 N159 I160N140-C142 PolarHBondContact O-N 2.85Å; N140-C142 PolarHBondContact OD1-N 2.89Å; C142-N159 WeakPolarHBondContact O-CA 3.44Å; C142-I160 PolarHBondContact O-N 3.35Å
143W93Very high94.6Very high32 Ų3227.3 Ų27.312%0.12116%0.156CC..EExtended strand (participates in β ladder)trans-124.1144.6-169.1-61.2104000112P110 N140 T157 I158 N159 R223 L225P110-W143 HydrophobicContact CB-CG 4.44Å; N140-W143 PolarHBondContact N-O 3.33Å; N140-W143 VanDerWaalsContact N-O 3.08Å; N140-W143 PolarHBondContact OD1-N 2.68Å; N140-W143 PolarHBondContact OD1-O 3.49Å; W143-T157 HydrophobicContact CD2-CG2 4.48Å; W143-T157 HydrophobicContact CE3-CG2 3.93Å; W143-T157 HydrophobicContact CZ3-CG2 4.39Å; W143-I158 WeakPolarHBondContact CA-O 3.24Å; W143-N159 HydrophobicContact CE3-CB 4.07Å; W143-N159 VanDerWaalsContact CE3-N 3.25Å; W143-N159 HydrophobicContact CH2-CB 4.26Å; W143-N159 HydrophobicContact CZ3-CB 3.78Å; W143-N159 VanDerWaalsContact CZ3-N 3.29Å; W143-R223 WeakPolarHBondContact CZ2-O 3.1Å; W143-L225 HydrophobicContact CD2-CD2 4.43Å; W143-L225 HydrophobicContact CH2-CD1 4.36Å; W143-L225 HydrophobicContact CH2-CD2 3.99Å; W143-L225 HydrophobicContact CH2-CG 3.74Å; W143-L225 HydrophobicContact CZ2-CD2 3.63Å; W143-L225 HydrophobicContact CZ2-CG 3.76Å; W143-L225 HydrophobicContact CZ3-CD2 4.48Å; W143-L225 HydrophobicContact CZ3-CG 4.39Å
144L95.2Very high94.5Very high0 Ų027 Ų270%015%0.154CC..EExtended strand (participates in β ladder)trans-106.7132156.4-179.7151.3000108.2V137 T138 I139 I146 I158 I160 M163 L180 L208V137-L144 HydrophobicContact CG1-CD1 4.24Å; V137-L144 HydrophobicContact CG1-CG 4.22Å; T138-L144 WeakPolarHBondContact O-CA 3.3Å; I139-L144 HydrophobicContact CD1-CD1 4.19Å; I139-L144 HydrophobicContact CG1-CD1 4.11Å; I139-L144 HydrophobicContact CG1-CG 4.27Å; L144-I146 HydrophobicContact CD2-CD1 4.34Å; L144-I146 HydrophobicContact CD2-CG1 3.73Å; L144-I158 HydrophobicContact CB-CG2 4.22Å; L144-I158 HydrophobicContact CD2-CG2 4.24Å; L144-I158 PolarHBondContact N-O 2.96Å; L144-I158 PolarHBondContact O-N 3.04Å; L144-I160 HydrophobicContact CB-CG1 4.5Å; L144-M163 HydrophobicContact CB-CE 3.6Å; L144-M163 HydrophobicContact CB-SD 4.46Å; L144-M163 HydrophobicContact CD1-CE 3.87Å; L144-M163 HydrophobicContact CG-CE 4.3Å; L144-L180 HydrophobicContact CD1-CD1 3.98Å; L144-L180 HydrophobicContact CD1-CD2 4.04Å; L144-L180 HydrophobicContact CD2-CD1 3.68Å; L144-L208 HydrophobicContact CD1-CD1 4.22Å; L144-L208 HydrophobicContact CD1-CD2 4.24Å
145C95Very high94.4Very high3 Ų325.2 Ų25.22%0.0214%0.142CC..EExtended strand (participates in β ladder)trans-125.5132.3173.6-171.50000110.3V137 T138 L156 T157V137-C145 CarbonylContact C-O 3.53Å; V137-C145 WeakPolarHBondContact CA-O 3.28Å; T138-C145 PolarHBondContact N-O 2.72Å; T138-C145 PolarHBondContact O-N 3.18Å; T138-C145 WeakPolarHBondContact OG1-CB 3.38Å; C145-L156 CarbonylContact C-O 3.58Å; C145-L156 VanDerWaalsContact CA-O 3.25Å; C145-L156 WeakPolarHBondContact CA-O 3.35Å; C145-T157 PolarHBondContact SG-OG1 3.3Å
146I96.4Very high94.2Very high3 Ų325.3 Ų25.32%0.01514%0.142CC..EExtended strand (participates in β ladder)trans-105.2125.7171.2-53178000107.2I121 A135 L144 L155 L156 L180 I194 I196I121-I146 HydrophobicContact CD1-CG2 3.94Å; I121-I146 HydrophobicContact CG2-CG2 4.25Å; A135-I146 HydrophobicContact CB-CG2 4.14Å; L144-I146 HydrophobicContact CD2-CD1 4.34Å; L144-I146 HydrophobicContact CD2-CG1 3.73Å; I146-L155 HydrophobicContact CG2-CB 4.49Å; I146-L155 HydrophobicContact CG2-CD1 4.4Å; I146-L155 PolarHBondContact O-N 2.75Å; I146-L156 HydrophobicContact CB-CB 4.21Å; I146-L156 HydrophobicContact CD1-CB 4.09Å; I146-L156 HydrophobicContact CD1-CD2 3.8Å; I146-L156 HydrophobicContact CG1-CB 4.22Å; I146-L156 HydrophobicContact CG1-CD2 4.41Å; I146-L156 PolarHBondContact N-O 2.67Å; I146-L156 PolarHBondContact O-N 2.88Å; I146-L180 HydrophobicContact CD1-CD1 3.96Å; I146-I194 HydrophobicContact CD1-CG2 4.23Å; I146-I196 HydrophobicContact CD1-CD1 3.74Å; I146-I196 HydrophobicContact CD1-CG1 4.22Å; I146-I196 HydrophobicContact CG1-CD1 4.13Å
147I95.6Very high94.1Very high0 Ų025.6 Ų25.60%014%0.144CC..EExtended strand (participates in β ladder)trans-124.7134.5-178-62.8151.5000107.9P16 A135 I136 T138 E149P16-I147 VanDerWaalsContact CD-CD1 3.46Å; P16-I147 HydrophobicContact CG-CD1 3.81Å; P16-I147 HydrophobicContact CG-CG1 4.01Å; P16-I147 HydrophobicContact CG-CG2 3.97Å; A135-I147 CarbonylContact C-O 3.52Å; A135-I147 VanDerWaalsContact CA-O 3.24Å; A135-I147 WeakPolarHBondContact CA-O 3.36Å; I136-I147 HydrophobicContact CB-CB 4.28Å; I136-I147 PolarHBondContact N-O 3.26Å; I136-I147 PolarHBondContact O-N 2.85Å; T138-I147 HydrophobicContact CG2-CD1 4.25Å; I147-E149 PolarHBondContact O-N 3.02Å
148N95.2Very high93.7Very high14 Ų1426.2 Ų26.28%0.07515%0.147CC..EExtended strand (participates in β ladder)trans-62.9123.4170.3-175.2-62000109.2T150 S151 R152 I153 L155N148-T150 PolarHBondContact O-N 3.09Å; N148-T150 PolarHBondContact OD1-N 2.92Å; N148-S151 VanDerWaalsContact CB-OG 3.25Å; N148-S151 WeakPolarHBondContact CB-OG 3.39Å; N148-S151 PolarHBondContact OD1-N 2.98Å; N148-S151 PolarHBondContact OD1-OG 2.9Å; N148-R152 WeakPolarHBondContact O-CA 3.14Å; N148-R152 PolarHBondContact O-N 3.03Å; N148-I153 PolarHBondContact N-O 2.91Å; N148-L155 HydrophobicContact CB-CD1 4.05Å; N148-L155 HydrophobicContact CB-CG 4.33Å
149E95.2Very high93.5Very high65 Ų6526.7 Ų26.730%0.30415%0.15SC..THydrogen-bonded Turntrans-64.1-45.7-176.2-167.4178.4156.500110.4P134 I136 I147 R152P134-E149 HydrophobicContact CB-CB 3.8Å; P134-E149 HydrophobicContact CB-CG 4.47Å; P134-E149 VanDerWaalsContact CB-OE2 3.32Å; P134-E149 WeakPolarHBondContact CB-OE2 3.37Å; P134-E149 HydrophobicContact CG-CB 4.05Å; P134-E149 VanDerWaalsContact O-CB 3.3Å; P134-E149 WeakPolarHBondContact O-CB 3.48Å; P134-E149 PolarHBondContact O-N 3.02Å; I136-E149 HydrophobicContact CD1-CG 4.12Å; I136-E149 HydrophobicContact CG1-CB 4.24Å; I136-E149 HydrophobicContact CG1-CG 4Å; I147-E149 PolarHBondContact O-N 3.02Å; E149-R152 VanDerWaalsContact C-NH1 3.34Å; E149-R152 WeakPolarHBondContact O-CD 3.32Å; E149-R152 PolarHBondContact O-NH1 3.07Å
150T92.4Very high93.3Very high115 Ų11526.6 Ų26.671%0.70615%0.149SC*.THydrogen-bonded Turntrans-69.6-49.5-176.5-51.10000113N148N148-T150 PolarHBondContact O-N 3.09Å; N148-T150 PolarHBondContact OD1-N 2.92Å
151S91.2Very high93.1Very high52 Ų5228.6 Ų28.636%0.36417%0.168SC..THydrogen-bonded Turntrans-86.4-14-175.665.10000113.8N148 I153N148-S151 VanDerWaalsContact CB-OG 3.25Å; N148-S151 WeakPolarHBondContact CB-OG 3.39Å; N148-S151 PolarHBondContact OD1-N 2.98Å; N148-S151 PolarHBondContact OD1-OG 2.9Å; S151-I153 PolarHBondContact O-N 2.85Å
152R93.4Very high92.9Very high46 Ų4626.8 Ų26.817%0.17416%0.158CC..  trans5625.3-173.9-57.2-66.7-158-126.24.6113.5S12 G13 P16 H58 I136 N148 E149S12-R152 PolarHBondContact O-NH2 2.98Å; G13-R152 WeakPolarHBondContact O-CD 3.48Å; G13-R152 PolarHBondContact O-NE 2.96Å; P16-R152 HydrophobicContact CB-CB 4.34Å; P16-R152 WeakPolarHBondContact CB-O 3.3Å; P16-R152 WeakPolarHBondContact CG-O 3.17Å; H58-R152 HydrophobicContact CB-CB 3.95Å; H58-R152 HydrophobicContact CB-CG 3.63Å; H58-R152 WeakPolarHBondContact CD2-CB 3.43Å; H58-R152 VanDerWaalsContact CG-CG 3.46Å; I136-R152 VanDerWaalsContact CD1-NH1 3.29Å; N148-R152 WeakPolarHBondContact O-CA 3.14Å; N148-R152 PolarHBondContact O-N 3.03Å; E149-R152 VanDerWaalsContact C-NH1 3.34Å; E149-R152 WeakPolarHBondContact O-CD 3.32Å; E149-R152 PolarHBondContact O-NH1 3.07Å
153I92.3Very high92.9Very high75 Ų7526.6 Ų26.639%0.38516%0.156SC..  trans-87.8128175.4-63.1172.7000108.7N148 S151 L155N148-I153 PolarHBondContact N-O 2.91Å; S151-I153 PolarHBondContact O-N 2.85Å; I153-L155 PolarHBondContact O-N 3.34Å
154P94.1Very high92.8Very high2 Ų232 Ų321%0.01318%0.181CC..EExtended strand (participates in β ladder)trans-60.8133.9169.9-2132.8000111.1P16 F232 F233 R236P16-P154 HydrophobicContact CG-CG 4.13Å; P154-F232 HydrophobicContact CG-CD1 3.87Å; P154-F232 HydrophobicContact CG-CE1 3.62Å; P154-F232 HydrophobicContact CG-CZ 4.48Å; P154-F233 HydrophobicContact CB-CD1 3.61Å; P154-F233 HydrophobicContact CB-CE1 3.99Å; P154-F233 HydrophobicContact CB-CG 4.47Å; P154-F233 HydrophobicContact CG-CD1 3.54Å; P154-F233 HydrophobicContact CG-CE1 3.54Å; P154-F233 HydrophobicContact CG-CG 4.3Å; P154-F233 HydrophobicContact CG-CZ 4.29Å; P154-R236 PolarHBondContact O-NH1 2.72Å
155L94.7Very high92.8Very high8 Ų833.8 Ų33.84%0.04219%0.187CC..EExtended strand (participates in β ladder)trans-107-36.7-179.8-62.5173000111.7I121 L123 I146 N148 I153 R236 V240I121-L155 HydrophobicContact CD1-CD1 3.14Å; L123-L155 HydrophobicContact CD2-CD1 4.11Å; I146-L155 HydrophobicContact CG2-CB 4.49Å; I146-L155 HydrophobicContact CG2-CD1 4.4Å; I146-L155 PolarHBondContact O-N 2.75Å; N148-L155 HydrophobicContact CB-CD1 4.05Å; N148-L155 HydrophobicContact CB-CG 4.33Å; I153-L155 PolarHBondContact O-N 3.34Å; L155-R236 PolarHBondContact O-N 3.03Å; L155-V240 HydrophobicContact CB-CG2 4.12Å
156L94Very high92.5Very high1 Ų134.4 Ų34.41%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-146.6130.5177.2179.972.6000108.4C145 I146 I158 L180 F182 I194 N235 T237C145-L156 CarbonylContact C-O 3.58Å; C145-L156 VanDerWaalsContact CA-O 3.25Å; C145-L156 WeakPolarHBondContact CA-O 3.35Å; I146-L156 HydrophobicContact CB-CB 4.21Å; I146-L156 HydrophobicContact CD1-CB 4.09Å; I146-L156 HydrophobicContact CD1-CD2 3.8Å; I146-L156 HydrophobicContact CG1-CB 4.22Å; I146-L156 HydrophobicContact CG1-CD2 4.41Å; I146-L156 PolarHBondContact N-O 2.67Å; I146-L156 PolarHBondContact O-N 2.88Å; L156-I158 HydrophobicContact CD2-CG2 4.09Å; L156-I158 HydrophobicContact CG-CB 4.41Å; L156-I158 HydrophobicContact CG-CG2 4.23Å; L156-L180 HydrophobicContact CD2-CD1 4.35Å; L156-F182 HydrophobicContact CD1-CD2 4.42Å; L156-F182 HydrophobicContact CD1-CE1 4.34Å; L156-F182 HydrophobicContact CD1-CE2 3.83Å; L156-F182 HydrophobicContact CD1-CZ 3.8Å; L156-F182 HydrophobicContact CD2-CD1 4.41Å; L156-F182 HydrophobicContact CD2-CE1 3.93Å; L156-F182 HydrophobicContact CD2-CZ 4.17Å; L156-I194 HydrophobicContact CD2-CD1 4.19Å; L156-N235 WeakPolarHBondContact CA-OD1 3.17Å; L156-T237 HydrophobicContact CD1-CG2 3.85Å
157T93.2Very high92.3Very high6 Ų635.4 Ų35.44%0.03720%0.199CC..EExtended strand (participates in β ladder)trans-127.4114.4168.5-54.10000108.1P110 W143 C145 L225 F233 N235P110-T157 HydrophobicContact CB-CG2 4.42Å; W143-T157 HydrophobicContact CD2-CG2 4.48Å; W143-T157 HydrophobicContact CE3-CG2 3.93Å; W143-T157 HydrophobicContact CZ3-CG2 4.39Å; C145-T157 PolarHBondContact SG-OG1 3.3Å; T157-L225 HydrophobicContact CG2-CD1 4.24Å; T157-L225 HydrophobicContact CG2-CD2 4.33Å; T157-F233 HydrophobicContact CG2-CB 4.45Å; T157-F233 HydrophobicContact CG2-CD1 4.46Å; T157-F233 VanDerWaalsContact OG1-CD1 3.26Å; T157-F233 WeakPolarHBondContact OG1-CD1 3.13Å; T157-N235 PolarHBondContact N-OD1 3.06Å; T157-N235 PolarHBondContact O-OD1 3.09Å
158I90.9Very high92Very high13 Ų1335.8 Ų35.87%0.06720%0.201CC..EExtended strand (participates in β ladder)trans-136.2138.3-172.3-172.8155.9000112.2W143 L144 L156 I160 M163 F182W143-I158 WeakPolarHBondContact CA-O 3.24Å; L144-I158 HydrophobicContact CB-CG2 4.22Å; L144-I158 HydrophobicContact CD2-CG2 4.24Å; L144-I158 PolarHBondContact N-O 2.96Å; L144-I158 PolarHBondContact O-N 3.04Å; L156-I158 HydrophobicContact CD2-CG2 4.09Å; L156-I158 HydrophobicContact CG-CB 4.41Å; L156-I158 HydrophobicContact CG-CG2 4.23Å; I158-I160 PolarHBondContact O-N 3.05Å; I158-M163 HydrophobicContact CD1-CB 3.79Å; I158-M163 HydrophobicContact CD1-CG 4.48Å; I158-M163 HydrophobicContact CG1-CB 4.2Å; I158-M163 HydrophobicContact CG1-CG 4.41Å; I158-M163 HydrophobicContact CG2-CE 4.39Å; I158-M163 HydrophobicContact CG2-CG 4.42Å; I158-M163 HydrophobicContact CG2-SD 3.55Å; I158-M163 VanDerWaalsContact CG2-SD 3.55Å; I158-F182 HydrophobicContact CD1-CB 3.08Å; I158-F182 HydrophobicContact CD1-CD1 4.35Å; I158-F182 HydrophobicContact CD1-CD2 3.97Å; I158-F182 HydrophobicContact CD1-CG 3.59Å
159N90.2Very high91.6Very high13 Ų1342.4 Ų42.47%0.0723%0.232CC..EExtended strand (participates in β ladder)trans-68.9130.6174.2-169.5-62000108.5C142 W143 A161 A162C142-N159 WeakPolarHBondContact O-CA 3.44Å; W143-N159 HydrophobicContact CE3-CB 4.07Å; W143-N159 VanDerWaalsContact CE3-N 3.25Å; W143-N159 HydrophobicContact CH2-CB 4.26Å; W143-N159 HydrophobicContact CZ3-CB 3.78Å; W143-N159 VanDerWaalsContact CZ3-N 3.29Å; N159-A161 PolarHBondContact O-N 3.32Å; N159-A161 VanDerWaalsContact OD1-CB 3.25Å; N159-A161 WeakPolarHBondContact OD1-CB 3.28Å; N159-A161 PolarHBondContact OD1-N 2.69Å; N159-A162 HydrophobicContact CB-CB 4.17Å; N159-A162 WeakPolarHBondContact O-CB 3.29Å; N159-A162 PolarHBondContact O-N 3.38Å
160I92.4Very high91Very high1 Ų141 Ų411%0.00524%0.235CC..G310 helixtrans-57.8-37.4-179.3-65.6167.4000110.8I139 N140 C142 L144 I158 A162 M163 W165 L208 V211I139-I160 HydrophobicContact CG2-CD1 4.16Å; N140-I160 WeakPolarHBondContact O-CD1 3.47Å; C142-I160 PolarHBondContact O-N 3.35Å; L144-I160 HydrophobicContact CB-CG1 4.5Å; I158-I160 PolarHBondContact O-N 3.05Å; I160-A162 PolarHBondContact O-N 3.31Å; I160-M163 HydrophobicContact CB-CE 4.18Å; I160-M163 HydrophobicContact CG1-CE 3.76Å; I160-M163 HydrophobicContact CG2-CE 4.34Å; I160-M163 WeakPolarHBondContact O-CG 3.22Å; I160-M163 PolarHBondContact O-N 2.88Å; I160-W165 HydrophobicContact CG2-CH2 3.53Å; I160-W165 HydrophobicContact CG2-CZ2 4.5Å; I160-W165 HydrophobicContact CG2-CZ3 3.63Å; I160-W165 WeakPolarHBondContact O-CZ3 3.47Å; I160-L208 HydrophobicContact CD1-CD2 3.95Å; I160-L208 HydrophobicContact CG1-CD2 3.97Å; I160-L208 HydrophobicContact CG2-CD2 4.24Å; I160-V211 HydrophobicContact CD1-CB 4.37Å; I160-V211 HydrophobicContact CD1-CG1 3.69Å; I160-V211 HydrophobicContact CG2-CG1 4.38Å
161A89.2Confident90.3Very high60 Ų6038.5 Ų38.550%0.49622%0.222SC..G310 helixtrans-67.9-17.2177.800000114.1N159 F222N159-A161 PolarHBondContact O-N 3.32Å; N159-A161 VanDerWaalsContact OD1-CB 3.25Å; N159-A161 WeakPolarHBondContact OD1-CB 3.28Å; N159-A161 PolarHBondContact OD1-N 2.69Å; A161-F222 HydrophobicContact CB-CE1 4.14Å; A161-F222 HydrophobicContact CB-CZ 4.49Å
162A87.7Confident89.6Confident43 Ų4345.6 Ų45.636%0.35525%0.249SC..G310 helixtrans-96.3-3.3-179.300000113.5N159 I160 P183N159-A162 HydrophobicContact CB-CB 4.17Å; N159-A162 WeakPolarHBondContact O-CB 3.29Å; N159-A162 PolarHBondContact O-N 3.38Å; I160-A162 PolarHBondContact O-N 3.31Å; A162-P183 WeakPolarHBondContact O-CD 3.33Å
163M90.3Very high89.1Confident6 Ų650.4 Ų50.43%0.0328%0.278CS..  trans-123.9167.8-178.263.8166.2-176.800112.3L144 I158 I160 W165 L180 L181 F182 L208L144-M163 HydrophobicContact CB-CE 3.6Å; L144-M163 HydrophobicContact CB-SD 4.46Å; L144-M163 HydrophobicContact CD1-CE 3.87Å; L144-M163 HydrophobicContact CG-CE 4.3Å; I158-M163 HydrophobicContact CD1-CB 3.79Å; I158-M163 HydrophobicContact CD1-CG 4.48Å; I158-M163 HydrophobicContact CG1-CB 4.2Å; I158-M163 HydrophobicContact CG1-CG 4.41Å; I158-M163 HydrophobicContact CG2-CE 4.39Å; I158-M163 HydrophobicContact CG2-CG 4.42Å; I158-M163 HydrophobicContact CG2-SD 3.55Å; I158-M163 VanDerWaalsContact CG2-SD 3.55Å; I160-M163 HydrophobicContact CB-CE 4.18Å; I160-M163 HydrophobicContact CG1-CE 3.76Å; I160-M163 HydrophobicContact CG2-CE 4.34Å; I160-M163 WeakPolarHBondContact O-CG 3.22Å; I160-M163 PolarHBondContact O-N 2.88Å; M163-W165 HydrophobicContact CE-CE3 3.96Å; M163-W165 HydrophobicContact CE-CZ3 4.22Å; M163-W165 HydrophobicContact CG-CE3 3.97Å; M163-W165 HydrophobicContact CG-CZ3 4.05Å; M163-W165 WeakPolarHBondContact O-CZ3 3.31Å; M163-W165 HydrophobicContact SD-CE3 4.38Å; M163-L180 HydrophobicContact SD-CD2 4.2Å; M163-L181 CarbonylContact C-O 3.58Å; M163-L181 VanDerWaalsContact CA-O 3.29Å; M163-L181 WeakPolarHBondContact CA-O 3.33Å; M163-L181 WeakPolarHBondContact CB-O 3.39Å; M163-F182 HydrophobicContact CB-CB 4.09Å; M163-L208 HydrophobicContact CE-CD1 4.49Å; M163-L208 HydrophobicContact CE-CD2 3.72Å
164K90.9Very high88.8Confident145 Ų14551.2 Ų51.263%0.6328%0.283SS*.EExtended strand (participates in β ladder)trans-121.6157.1167.6-61-63.2179.6-177.70108.9L181K164-L181 HydrophobicContact CB-CB 4.21Å; K164-L181 PolarHBondContact N-O 2.86Å; K164-L181 PolarHBondContact O-N 3.36Å
165W93.9Very high88.8Confident38 Ų3854 Ų5414%0.14430%0.298CS..EExtended strand (participates in β ladder)trans-146.9161.3-18054.985.1000111.2I160 M163 L178 V179 L180 L208 D209 A212I160-W165 HydrophobicContact CG2-CH2 3.53Å; I160-W165 HydrophobicContact CG2-CZ2 4.5Å; I160-W165 HydrophobicContact CG2-CZ3 3.63Å; I160-W165 WeakPolarHBondContact O-CZ3 3.47Å; M163-W165 HydrophobicContact CE-CE3 3.96Å; M163-W165 HydrophobicContact CE-CZ3 4.22Å; M163-W165 HydrophobicContact CG-CE3 3.97Å; M163-W165 HydrophobicContact CG-CZ3 4.05Å; M163-W165 WeakPolarHBondContact O-CZ3 3.31Å; M163-W165 HydrophobicContact SD-CE3 4.38Å; W165-L178 HydrophobicContact CB-CD1 4.36Å; W165-V179 CarbonylContact C-O 3.59Å; W165-V179 WeakPolarHBondContact CA-O 3.41Å; W165-V179 WeakPolarHBondContact CB-O 2.97Å; W165-L180 HydrophobicContact CB-CD2 3.91Å; W165-L208 HydrophobicContact CB-CD1 4.13Å; W165-L208 HydrophobicContact CD2-CB 3.81Å; W165-L208 HydrophobicContact CD2-CD1 3.88Å; W165-L208 HydrophobicContact CD2-CG 4.35Å; W165-L208 HydrophobicContact CE3-CB 4.48Å; W165-L208 HydrophobicContact CE3-CD1 4.44Å; W165-L208 HydrophobicContact CG-CB 4.19Å; W165-L208 HydrophobicContact CG-CD1 3.69Å; W165-L208 HydrophobicContact CH2-CB 4.38Å; W165-L208 HydrophobicContact CZ2-CB 3.68Å; W165-L208 WeakPolarHBondContact CZ2-O 3.41Å; W165-D209 PolarHBondContact NE1-OD1 3.03Å; W165-A212 HydrophobicContact CH2-CB 3.81Å; W165-A212 HydrophobicContact CZ2-CB 3.88Å
166C90.3Very high88.7Confident17 Ų1754.7 Ų54.712%0.11530%0.303CS..EExtended strand (participates in β ladder)trans-154.6156.1162.966.60000110V179 E205 M278C166-V179 PolarHBondContact N-O 2.86Å; C166-V179 PolarHBondContact O-N 3.09Å; C166-E205 WeakPolarHBondContact CA-OE1 3.43Å; C166-M278 HydrophobicContact CB-CE 3.87Å; C166-M278 HydrophobicContact CB-SD 4.46Å; C166-M278 WeakPolarHBondContact SG-CE 3.47Å
167S90.9Very high88.7Confident24 Ų2455.2 Ų55.217%0.16831%0.306CS..EExtended strand (participates in β ladder)trans-92.9130.1165.7-176.20000110.2L177 E205S167-L177 CarbonylContact C-O 3.55Å; S167-L177 VanDerWaalsContact CA-O 3.29Å; S167-L177 WeakPolarHBondContact CA-O 3.48Å; S167-E205 WeakPolarHBondContact CB-OE2 3.46Å; S167-E205 VanDerWaalsContact N-CD 3.35Å; S167-E205 PolarHBondContact N-OE1 3.45Å
168L89.8Confident88.8Confident7 Ų755 Ų554%0.03730%0.304CS..EExtended strand (participates in β ladder)trans-100.5132.9169-54.1-176000109.9P176 L177 V179 R262 W263 N266L168-P176 VanDerWaalsContact O-CA 3.31Å; L168-P176 WeakPolarHBondContact O-CA 3.47Å; L168-P176 WeakPolarHBondContact O-CB 3.49Å; L168-L177 HydrophobicContact CB-CB 4.27Å; L168-L177 HydrophobicContact CD1-CD1 4.37Å; L168-L177 PolarHBondContact N-O 3.08Å; L168-L177 PolarHBondContact O-N 2.6Å; L168-V179 HydrophobicContact CD1-CG2 3.68Å; L168-V179 HydrophobicContact CG-CG2 3.8Å; L168-R262 HydrophobicContact CD1-CB 4.41Å; L168-R262 PolarHBondContact O-NH2 2.91Å; L168-W263 HydrophobicContact CD1-CE3 4.05Å; L168-N266 HydrophobicContact CD2-CB 3.73Å
169E87.7Confident88.9Confident154 Ų15454.3 Ų54.372%0.7230%0.301SS*.PPolyproline II helixtrans-57145.5179.3-66.9-164.9165.200112.1R262E169-R262 PolarHBondContact O-NE 2.73Å; E169-R262 PolarHBondContact O-NH2 2.68Å
170G81.1Confident89.1Confident36 Ų3653.7 Ų53.737%0.37130%0.298SS..PPolyproline II helixtrans-68.5166.6170.600000111.9N174G170-N174 CarbonylContact C-O 3.5Å; G170-N174 WeakPolarHBondContact CA-O 3.48Å
171S78.8Confident89Confident62 Ų6253.9 Ų53.943%0.43430%0.299SS..BIsolated β-bridgetrans-107.9173.7162.568.70000108.6N173 N174S171-N173 PolarHBondContact O-N 2.96Å; S171-N174 PolarHBondContact N-O 3.44Å; S171-N174 PolarHBondContact O-N 3.04Å; S171-N174 WeakPolarHBondContact OG-CB 3.33Å; S171-N174 PolarHBondContact OG-ND2 3.28Å
172Q76.1Confident89Confident200 Ų20051.4 Ų51.494%0.93528%0.277SS*.THydrogen-bonded Turntrans-51-28.3-179.2-67.1-173.110.700114.2
173N82Confident88.9Confident148 Ų14852.6 Ų52.679%0.79128%0.281SS*.THydrogen-bonded Turntrans-110.4-3.6-177.9-63.4-32.8000114.4S171S171-N173 PolarHBondContact O-N 2.96Å
174N86.9Confident88.4Confident91 Ų9153.1 Ų53.149%0.48729%0.286SS..BIsolated β-bridgetrans-131.2132.7-172.8-65-35.9000111.4G170 S171G170-N174 CarbonylContact C-O 3.5Å; G170-N174 WeakPolarHBondContact CA-O 3.48Å; S171-N174 PolarHBondContact N-O 3.44Å; S171-N174 PolarHBondContact O-N 3.04Å; S171-N174 WeakPolarHBondContact OG-CB 3.33Å; S171-N174 PolarHBondContact OG-ND2 3.28Å
175D92.9Very high87.4Confident61 Ų6152.6 Ų52.633%0.32629%0.29SS..  trans-60.4152.7174.6-71.6-19.2000111.8K199 R262D175-K199 HydrophobicContact CB-CG 4.41Å; D175-K199 WeakPolarHBondContact OD1-CE 3.5Å; D175-K199 VanDerWaalsContact OD1-CG 3.24Å; D175-K199 WeakPolarHBondContact OD1-CG 3.42Å; D175-R262 VanDerWaalsContact O-CZ 3.22Å; D175-R262 PolarHBondContact O-NH1 3.45Å; D175-R262 PolarHBondContact O-NH2 2.85Å
176P93.5Very high85.6Confident23 Ų2356.6 Ų56.615%0.14932%0.315CS..  trans-58.2152.6172.719.4-23.1000111.6L168 S198 A201 P202 R262L168-P176 VanDerWaalsContact O-CA 3.31Å; L168-P176 WeakPolarHBondContact O-CA 3.47Å; L168-P176 WeakPolarHBondContact O-CB 3.49Å; P176-S198 VanDerWaalsContact CG-O 3.28Å; P176-S198 WeakPolarHBondContact CG-O 3.47Å; P176-S198 PolarHBondContact O-N 3.08Å; P176-A201 HydrophobicContact CB-CB 4.04Å; P176-A201 HydrophobicContact CG-CB 4.28Å; P176-P202 HydrophobicContact CG-CG 4.41Å; P176-R262 VanDerWaalsContact CA-NH2 3.29Å
177L93.6Very high83.8Confident12 Ų1268.3 Ų68.36%0.06336%0.356CS..EExtended strand (participates in β ladder)trans-105130.7177-62.3173.1000109.3S167 L168 V179 A195 I196 A197 I259 R262S167-L177 CarbonylContact C-O 3.55Å; S167-L177 VanDerWaalsContact CA-O 3.29Å; S167-L177 WeakPolarHBondContact CA-O 3.48Å; L168-L177 HydrophobicContact CB-CB 4.27Å; L168-L177 HydrophobicContact CD1-CD1 4.37Å; L168-L177 PolarHBondContact N-O 3.08Å; L168-L177 PolarHBondContact O-N 2.6Å; L177-V179 HydrophobicContact CB-CG2 4.21Å; L177-A195 HydrophobicContact CB-CB 4.47Å; L177-A195 HydrophobicContact CD1-CB 4.19Å; L177-A195 HydrophobicContact CD2-CB 4.35Å; L177-I196 CarbonylContact C-O 3.53Å; L177-I196 WeakPolarHBondContact CA-O 3.22Å; L177-A197 HydrophobicContact CD2-CB 3.63Å; L177-I259 HydrophobicContact CD1-CG2 4.44Å; L177-R262 VanDerWaalsContact CG-CZ 3.4Å
178L95.7Very high82.3Confident0 Ų070 Ų700%037%0.366CS..EExtended strand (participates in β ladder)trans-85.8116.2155.8-179.767.8000107.5W165 L180 A195 I196 A201 M204 E205 L208W165-L178 HydrophobicContact CB-CD1 4.36Å; L178-L180 HydrophobicContact CD1-CD2 4.44Å; L178-L180 HydrophobicContact CD2-CD2 3.99Å; L178-L180 HydrophobicContact CG-CD2 3.91Å; L178-A195 CarbonylContact O-C 3.46Å; L178-A195 WeakPolarHBondContact O-CA 3.42Å; L178-I196 HydrophobicContact CB-CB 4.38Å; L178-I196 HydrophobicContact CD2-CD1 4.28Å; L178-I196 PolarHBondContact N-O 3.44Å; L178-I196 PolarHBondContact O-N 2.85Å; L178-A201 HydrophobicContact CB-CB 3.99Å; L178-M204 HydrophobicContact CB-CE 4.17Å; L178-M204 HydrophobicContact CD2-CB 3.78Å; L178-M204 HydrophobicContact CD2-CE 4.15Å; L178-M204 HydrophobicContact CD2-CG 4.49Å; L178-M204 HydrophobicContact CD2-SD 4Å; L178-E205 HydrophobicContact CD1-CB 4.38Å; L178-L208 HydrophobicContact CD1-CD1 4.26Å; L178-L208 HydrophobicContact CD2-CD1 4.27Å
179V92.9Very high81.3Confident0 Ų075.2 Ų75.20%039%0.39CS..EExtended strand (participates in β ladder)trans-98.3131.7175.5-179.30000108.7W165 C166 L168 L177 M193 I194 A195 W263W165-V179 CarbonylContact C-O 3.59Å; W165-V179 WeakPolarHBondContact CA-O 3.41Å; W165-V179 WeakPolarHBondContact CB-O 2.97Å; C166-V179 PolarHBondContact N-O 2.86Å; C166-V179 PolarHBondContact O-N 3.09Å; L168-V179 HydrophobicContact CD1-CG2 3.68Å; L168-V179 HydrophobicContact CG-CG2 3.8Å; L177-V179 HydrophobicContact CB-CG2 4.21Å; V179-M193 HydrophobicContact CG1-CE 4.43Å; V179-M193 HydrophobicContact CG1-CG 3.34Å; V179-M193 HydrophobicContact CG1-SD 3.57Å; V179-M193 VanDerWaalsContact CG1-SD 3.57Å; V179-I194 WeakPolarHBondContact CA-O 3.33Å; V179-A195 HydrophobicContact CG2-CB 4.29Å; V179-W263 HydrophobicContact CB-CZ3 4.39Å; V179-W263 HydrophobicContact CG1-CE3 4.43Å; V179-W263 HydrophobicContact CG1-CZ3 3.82Å; V179-W263 HydrophobicContact CG2-CZ3 4.47Å
180L93.9Very high80.6Confident0 Ų069.7 Ų69.70%037%0.365CS..EExtended strand (participates in β ladder)trans-117.2130.3178.1-54.4179.5000108.6L144 I146 L156 M163 W165 L178 M193 I194 I196L144-L180 HydrophobicContact CD1-CD1 3.98Å; L144-L180 HydrophobicContact CD1-CD2 4.04Å; L144-L180 HydrophobicContact CD2-CD1 3.68Å; I146-L180 HydrophobicContact CD1-CD1 3.96Å; L156-L180 HydrophobicContact CD2-CD1 4.35Å; M163-L180 HydrophobicContact SD-CD2 4.2Å; W165-L180 HydrophobicContact CB-CD2 3.91Å; L178-L180 HydrophobicContact CD1-CD2 4.44Å; L178-L180 HydrophobicContact CD2-CD2 3.99Å; L178-L180 HydrophobicContact CG-CD2 3.91Å; L180-M193 CarbonylContact O-C 3.53Å; L180-M193 WeakPolarHBondContact O-CA 3.45Å; L180-I194 PolarHBondContact N-O 2.8Å; L180-I194 PolarHBondContact O-N 2.71Å; L180-I196 HydrophobicContact CD1-CD1 3.89Å; L180-I196 HydrophobicContact CG-CD1 4.47Å
181L90.6Very high80.7Confident5 Ų569.2 Ų69.23%0.02635%0.354CS..EExtended strand (participates in β ladder)trans-118.9128.4177.1-74.2143.4000109M163 K164 N192 M193 F245 W263 M278M163-L181 CarbonylContact C-O 3.58Å; M163-L181 VanDerWaalsContact CA-O 3.29Å; M163-L181 WeakPolarHBondContact CA-O 3.33Å; M163-L181 WeakPolarHBondContact CB-O 3.39Å; K164-L181 HydrophobicContact CB-CB 4.21Å; K164-L181 PolarHBondContact N-O 2.86Å; K164-L181 PolarHBondContact O-N 3.36Å; L181-N192 WeakPolarHBondContact CA-O 3.15Å; L181-M193 HydrophobicContact CD2-CB 3.85Å; L181-M193 HydrophobicContact CD2-CG 3.94Å; L181-M193 HydrophobicContact CD2-SD 4.36Å; L181-M193 HydrophobicContact CG-CB 4.38Å; L181-M193 HydrophobicContact CG-CG 4.1Å; L181-F245 HydrophobicContact CD2-CD2 4.3Å; L181-F245 HydrophobicContact CD2-CE2 4.18Å; L181-W263 HydrophobicContact CD1-CH2 4.21Å; L181-M278 HydrophobicContact CD1-CG 4.28Å; L181-M278 HydrophobicContact CD1-SD 3.19Å; L181-M278 WeakPolarHBondContact CD1-SD 3.49Å
182F89.9Confident81.2Confident7 Ų767.1 Ų67.13%0.03134%0.338CS..EExtended strand (participates in β ladder)trans-151.7154.2-175.456.1-85.7000112.4L156 I158 M163 A184 N191 N192 I194 T237L156-F182 HydrophobicContact CD1-CD2 4.42Å; L156-F182 HydrophobicContact CD1-CE1 4.34Å; L156-F182 HydrophobicContact CD1-CE2 3.83Å; L156-F182 HydrophobicContact CD1-CZ 3.8Å; L156-F182 HydrophobicContact CD2-CD1 4.41Å; L156-F182 HydrophobicContact CD2-CE1 3.93Å; L156-F182 HydrophobicContact CD2-CZ 4.17Å; I158-F182 HydrophobicContact CD1-CB 3.08Å; I158-F182 HydrophobicContact CD1-CD1 4.35Å; I158-F182 HydrophobicContact CD1-CD2 3.97Å; I158-F182 HydrophobicContact CD1-CG 3.59Å; M163-F182 HydrophobicContact CB-CB 4.09Å; F182-A184 PolarHBondContact O-N 3.36Å; F182-N191 CarbonylContact O-C 3.51Å; F182-N191 VanDerWaalsContact O-CA 3.3Å; F182-N191 WeakPolarHBondContact O-CA 3.25Å; F182-N192 HydrophobicContact CD2-CB 4.05Å; F182-N192 HydrophobicContact CE1-CB 4.07Å; F182-N192 HydrophobicContact CE2-CB 3.55Å; F182-N192 HydrophobicContact CG-CB 4.5Å; F182-N192 HydrophobicContact CZ-CB 3.55Å; F182-N192 PolarHBondContact N-O 3.42Å; F182-N192 PolarHBondContact O-N 2.79Å; F182-I194 HydrophobicContact CE1-CB 4.33Å; F182-I194 HydrophobicContact CE1-CD1 3.77Å; F182-I194 HydrophobicContact CE1-CG1 3.96Å; F182-I194 HydrophobicContact CZ-CD1 3.61Å; F182-I194 HydrophobicContact CZ-CG1 4.13Å; F182-T237 HydrophobicContact CE2-CG2 3.86Å; F182-T237 HydrophobicContact CZ-CG2 3.87Å
183P85.5Confident81.9Confident68 Ų6857.6 Ų57.644%0.44229%0.294SS..EExtended strand (participates in β ladder)trans-62.3138.3177.526.4-34.9000110.5A162A162-P183 WeakPolarHBondContact O-CD 3.33Å
184A79.6Confident82.4Confident18 Ų1850.6 Ų50.615%0.14926%0.256CS..  trans-64.6153.1164.600000110.2F182 D186 L190F182-A184 PolarHBondContact O-N 3.36Å; A184-D186 PolarHBondContact O-N 3.38Å; A184-D186 VanDerWaalsContact O-N 3.12Å; A184-L190 HydrophobicContact CB-CB 4.21Å; A184-L190 PolarHBondContact N-O 2.76Å
185D70.7Confident82.7Confident133 Ų13346.8 Ų46.871%0.71124%0.238SC*.SBendtrans-60.5-22.1178.4-69.9-36.2000112.6
186D54.7Low82.8Confident123 Ų12343.9 Ų43.966%0.65822%0.222SC*.SBendtrans-81.3145.4-178.4-79.5-30.5000113.1A184 T188A184-D186 PolarHBondContact O-N 3.38Å; A184-D186 VanDerWaalsContact O-N 3.12Å; D186-T188 PolarHBondContact O-N 2.89Å
187R53.8Low82.9Confident262 Ų26243.8 Ų43.899%0.98922%0.223SC*.SBendtrans-55.61.4174.8-62.5177175.7172.8-1.1115.3
188T58.2Low83.1Confident60 Ų6043.5 Ų43.537%0.36822%0.222SC..SBendtrans-82134170.655.10000108.5D186 L190D186-T188 PolarHBondContact O-N 2.89Å; T188-L190 PolarHBondContact O-N 3.17Å; T188-L190 WeakPolarHBondContact OG1-CD1 3.47Å; T188-L190 WeakPolarHBondContact OG1-CG 3.14Å
189Q69.2Low83.1Confident117 Ų11751.2 Ų51.255%0.54726%0.255SS..  trans-69.554.5173.2-68.6-160.1-22.800112.2I247 R248Q189-I247 WeakPolarHBondContact O-CG1 3.21Å; Q189-I247 PolarHBondContact O-N 3.3Å; Q189-R248 HydrophobicContact CB-CG 4.33Å
190L72.2Confident83.3Confident37 Ų3754.8 Ų54.819%0.19427%0.272CS..EExtended strand (participates in β ladder)trans-96.9133175.2-64.2178.4000108.2A184 T188 L244 F245 D246 L253A184-L190 HydrophobicContact CB-CB 4.21Å; A184-L190 PolarHBondContact N-O 2.76Å; T188-L190 PolarHBondContact O-N 3.17Å; T188-L190 WeakPolarHBondContact OG1-CD1 3.47Å; T188-L190 WeakPolarHBondContact OG1-CG 3.14Å; L190-L244 HydrophobicContact CB-CD1 3.98Å; L190-L244 HydrophobicContact CD1-CD1 4.22Å; L190-L244 HydrophobicContact CD1-CD2 4.33Å; L190-F245 VanDerWaalsContact CA-O 3.24Å; L190-F245 WeakPolarHBondContact CA-O 3.44Å; L190-F245 WeakPolarHBondContact CD2-O 3.31Å; L190-D246 HydrophobicContact CD2-CB 4.01Å; L190-L253 HydrophobicContact CD2-CD1 3.91Å
191N83.8Confident83.4Confident26 Ų2654.8 Ų54.814%0.13927%0.272CS..EExtended strand (participates in β ladder)trans-102.5132.5169.7-78.2-15.6000109.3F182 F245 I247F182-N191 CarbonylContact O-C 3.51Å; F182-N191 VanDerWaalsContact O-CA 3.3Å; F182-N191 WeakPolarHBondContact O-CA 3.25Å; N191-F245 HydrophobicContact CB-CB 4.38Å; N191-F245 PolarHBondContact N-O 2.83Å; N191-F245 PolarHBondContact O-N 3.39Å; N191-I247 HydrophobicContact CB-CD1 4.39Å; N191-I247 HydrophobicContact CB-CG1 4.47Å; N191-I247 VanDerWaalsContact CG-CD1 3.41Å; N191-I247 WeakPolarHBondContact ND2-CD1 3.38Å; N191-I247 WeakPolarHBondContact OD1-CD1 3.29Å
192N89.6Confident83.7Confident19 Ų1957.6 Ų57.610%0.10229%0.291CS..EExtended strand (participates in β ladder)trans-88.5143.4166.2-69.9-28.4000108.9L181 F182 A243 L244L181-N192 WeakPolarHBondContact CA-O 3.15Å; F182-N192 HydrophobicContact CD2-CB 4.05Å; F182-N192 HydrophobicContact CE1-CB 4.07Å; F182-N192 HydrophobicContact CE2-CB 3.55Å; F182-N192 HydrophobicContact CG-CB 4.5Å; F182-N192 HydrophobicContact CZ-CB 3.55Å; F182-N192 PolarHBondContact N-O 3.42Å; F182-N192 PolarHBondContact O-N 2.79Å; N192-A243 CarbonylContact C-O 3.56Å; N192-L244 VanDerWaalsContact OD1-CD1 3.31Å; N192-L244 WeakPolarHBondContact OD1-CD1 3.43Å
193M90.1Very high84Confident0 Ų062.1 Ų62.10%032%0.315CS..EExtended strand (participates in β ladder)trans-126.4125.2175.3-175.2-170.186.800110.3V179 L180 L181 S242 A243 F245 M255 I259 W263V179-M193 HydrophobicContact CG1-CE 4.43Å; V179-M193 HydrophobicContact CG1-CG 3.34Å; V179-M193 HydrophobicContact CG1-SD 3.57Å; V179-M193 VanDerWaalsContact CG1-SD 3.57Å; L180-M193 CarbonylContact O-C 3.53Å; L180-M193 WeakPolarHBondContact O-CA 3.45Å; L181-M193 HydrophobicContact CD2-CB 3.85Å; L181-M193 HydrophobicContact CD2-CG 3.94Å; L181-M193 HydrophobicContact CD2-SD 4.36Å; L181-M193 HydrophobicContact CG-CB 4.38Å; L181-M193 HydrophobicContact CG-CG 4.1Å; M193-S242 CarbonylContact O-C 3.53Å; M193-S242 WeakPolarHBondContact O-CA 3.19Å; M193-S242 VanDerWaalsContact O-CB 3.22Å; M193-S242 WeakPolarHBondContact O-CB 3.33Å; M193-A243 HydrophobicContact CB-CB 4.04Å; M193-A243 HydrophobicContact CE-CB 3.55Å; M193-A243 PolarHBondContact N-O 3.41Å; M193-A243 PolarHBondContact O-N 2.98Å; M193-A243 HydrophobicContact SD-CB 4.36Å; M193-F245 HydrophobicContact CB-CD2 4.27Å; M193-F245 HydrophobicContact CB-CE2 3.66Å; M193-F245 HydrophobicContact CE-CE2 4.49Å; M193-F245 HydrophobicContact CG-CE2 4.26Å; M193-F245 HydrophobicContact SD-CE2 3.68Å; M193-F245 HydrophobicContact SD-CZ 3.83Å; M193-M255 HydrophobicContact CE-CE 4.2Å; M193-I259 HydrophobicContact CE-CB 4.29Å; M193-I259 HydrophobicContact CE-CD1 3.93Å; M193-I259 HydrophobicContact CE-CG2 3.57Å; M193-W263 HydrophobicContact SD-CE3 4Å; M193-W263 HydrophobicContact SD-CH2 4.26Å; M193-W263 HydrophobicContact SD-CZ3 3.9Å
194I92.7Very high84.6Confident1 Ų158.9 Ų58.91%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-117.3139.8174.3-68.9171.3000108.4I146 L156 V179 L180 F182 T237 V240I146-I194 HydrophobicContact CD1-CG2 4.23Å; L156-I194 HydrophobicContact CD2-CD1 4.19Å; V179-I194 WeakPolarHBondContact CA-O 3.33Å; L180-I194 PolarHBondContact N-O 2.8Å; L180-I194 PolarHBondContact O-N 2.71Å; F182-I194 HydrophobicContact CE1-CB 4.33Å; F182-I194 HydrophobicContact CE1-CD1 3.77Å; F182-I194 HydrophobicContact CE1-CG1 3.96Å; F182-I194 HydrophobicContact CZ-CD1 3.61Å; F182-I194 HydrophobicContact CZ-CG1 4.13Å; I194-T237 HydrophobicContact CD1-CG2 4.43Å; I194-V240 HydrophobicContact CD1-CB 4.05Å; I194-V240 HydrophobicContact CD1-CG1 3.77Å; I194-V240 HydrophobicContact CD1-CG2 4.48Å; I194-V240 HydrophobicContact CG1-CG1 3.91Å; I194-V240 HydrophobicContact CG2-CG1 3.91Å
195A93.2Very high85.5Confident11 Ų1159.9 Ų59.99%0.09130%0.295CS..EExtended strand (participates in β ladder)trans-113.1138173.500000111.3L177 L178 V179 I259L177-A195 HydrophobicContact CB-CB 4.47Å; L177-A195 HydrophobicContact CD1-CB 4.19Å; L177-A195 HydrophobicContact CD2-CB 4.35Å; L178-A195 CarbonylContact O-C 3.46Å; L178-A195 WeakPolarHBondContact O-CA 3.42Å; V179-A195 HydrophobicContact CG2-CB 4.29Å; A195-I259 HydrophobicContact CB-CD1 3.46Å; A195-I259 VanDerWaalsContact CB-CD1 3.46Å; A195-I259 HydrophobicContact CB-CG1 3.77Å
196I96.1Very high86.8Confident0 Ų056.1 Ų56.10%028%0.283CS..EExtended strand (participates in β ladder)trans-117.4113.2177.7-53.5164.6000107.5I121 V137 I146 L177 L178 L180 S198I121-I196 HydrophobicContact CG2-CB 4.35Å; I121-I196 HydrophobicContact CG2-CG1 3.89Å; I121-I196 HydrophobicContact CG2-CG2 4.22Å; V137-I196 HydrophobicContact CG1-CD1 4.46Å; V137-I196 HydrophobicContact CG2-CD1 3.91Å; V137-I196 HydrophobicContact CG2-CG2 4.06Å; I146-I196 HydrophobicContact CD1-CD1 3.74Å; I146-I196 HydrophobicContact CD1-CG1 4.22Å; I146-I196 HydrophobicContact CG1-CD1 4.13Å; L177-I196 CarbonylContact C-O 3.53Å; L177-I196 WeakPolarHBondContact CA-O 3.22Å; L178-I196 HydrophobicContact CB-CB 4.38Å; L178-I196 HydrophobicContact CD2-CD1 4.28Å; L178-I196 PolarHBondContact N-O 3.44Å; L178-I196 PolarHBondContact O-N 2.85Å; L180-I196 HydrophobicContact CD1-CD1 3.89Å; L180-I196 HydrophobicContact CG-CD1 4.47Å; I196-S198 PolarHBondContact O-N 2.82Å
197A95.5Very high88.8Confident20 Ų2052.7 Ų52.717%0.16526%0.264CS..EExtended strand (participates in β ladder)trans-78.2118.4173.500000110.1G119 L120 L177G119-A197 CarbonylContact C-O 3.53Å; G119-A197 WeakPolarHBondContact CA-O 3.1Å; L120-A197 HydrophobicContact CB-CB 4.32Å; L120-A197 PolarHBondContact N-O 2.91Å; L120-A197 PolarHBondContact O-N 3Å; L177-A197 HydrophobicContact CD2-CB 3.63Å
198S97.2Very high90.9Very high6 Ų640.2 Ų40.24%0.04222%0.217CC..  trans-159.7137.1179.9178.90000110.9F118 P176 I196 Q200 A201F118-S198 VanDerWaalsContact O-CB 3.32Å; F118-S198 WeakPolarHBondContact O-CB 3.17Å; F118-S198 PolarHBondContact O-OG 3.31Å; P176-S198 VanDerWaalsContact CG-O 3.28Å; P176-S198 WeakPolarHBondContact CG-O 3.47Å; P176-S198 PolarHBondContact O-N 3.08Å; I196-S198 PolarHBondContact O-N 2.82Å; S198-Q200 PolarHBondContact O-N 3.41Å; S198-Q200 VanDerWaalsContact O-N 3.09Å; S198-Q200 PolarHBondContact OG-N 2.79Å; S198-A201 VanDerWaalsContact O-CB 3.29Å; S198-A201 WeakPolarHBondContact O-CB 2.96Å; S198-A201 PolarHBondContact O-N 3.05Å
199K96.2Very high92.7Very high162 Ų16240.6 Ų40.670%0.70422%0.217SC*.THydrogen-bonded Turntrans-57.4-21.9168.6-63-177.4-178178.50113.4D175D175-K199 HydrophobicContact CB-CG 4.41Å; D175-K199 WeakPolarHBondContact OD1-CE 3.5Å; D175-K199 VanDerWaalsContact OD1-CG 3.24Å; D175-K199 WeakPolarHBondContact OD1-CG 3.42Å
200Q96.8Very high93.9Very high75 Ų7538.7 Ų38.735%0.3522%0.216SC..THydrogen-bonded Turntrans-92.64.1-179.7-60.6176.4-41.800112.7F117 S198 L203 M204F117-Q200 HydrophobicContact CD1-CB 4.02Å; S198-Q200 PolarHBondContact O-N 3.41Å; S198-Q200 VanDerWaalsContact O-N 3.09Å; S198-Q200 PolarHBondContact OG-N 2.79Å; Q200-L203 WeakPolarHBondContact O-CA 3.48Å; Q200-L203 WeakPolarHBondContact O-CB 3.48Å; Q200-L203 PolarHBondContact O-N 2.9Å; Q200-M204 WeakPolarHBondContact O-CG 3.36Å; Q200-M204 PolarHBondContact O-N 3.37Å
201A96.8Very high94.9Very high0 Ų037.8 Ų37.80%021%0.212CC..Hα-helixtrans-52.2-43.9-179.200000114.3P176 L178 S198 L203 M204 E205P176-A201 HydrophobicContact CB-CB 4.04Å; P176-A201 HydrophobicContact CG-CB 4.28Å; L178-A201 HydrophobicContact CB-CB 3.99Å; S198-A201 VanDerWaalsContact O-CB 3.29Å; S198-A201 WeakPolarHBondContact O-CB 2.96Å; S198-A201 PolarHBondContact O-N 3.05Å; A201-L203 VanDerWaalsContact C-N 3.29Å; A201-L203 PolarHBondContact O-N 2.81Å; A201-M204 HydrophobicContact CB-CE 4.16Å; A201-M204 PolarHBondContact O-N 2.76Å; A201-E205 PolarHBondContact O-N 2.76Å
202P95.4Very high95.3Very high64 Ų6437.6 Ų37.642%0.41622%0.215SC..Hα-helixtrans-63.1-33.4175-24.235000113.8P176 A206P176-P202 HydrophobicContact CG-CG 4.41Å; P202-A206 WeakPolarHBondContact O-CB 3.48Å; P202-A206 PolarHBondContact O-N 2.98Å
203L97.8Very high95.3Very high102 Ų10241.2 Ų41.253%0.53424%0.238SC..Hα-helixtrans-73-37.1176.6179.461.5000111.4F117 Q200 A201 L207F117-L203 HydrophobicContact CE1-CD2 3.86Å; F117-L203 HydrophobicContact CE1-CG 3.97Å; Q200-L203 WeakPolarHBondContact O-CA 3.48Å; Q200-L203 WeakPolarHBondContact O-CB 3.48Å; Q200-L203 PolarHBondContact O-N 2.9Å; A201-L203 VanDerWaalsContact C-N 3.29Å; A201-L203 PolarHBondContact O-N 2.81Å; L203-L207 WeakPolarHBondContact O-CB 3.25Å; L203-L207 PolarHBondContact O-N 3.4Å
204M98.3Very high95.3Very high0 Ų044.1 Ų44.10%026%0.261CS..Hα-helixtrans-64.9-44.2174.7-67.8-172.9-77.300111.2F117 V137 I139 L178 Q200 A201 L207 L208F117-M204 HydrophobicContact CB-CG 4.04Å; F117-M204 HydrophobicContact CB-SD 3.55Å; F117-M204 VanDerWaalsContact CB-SD 3.55Å; F117-M204 HydrophobicContact CD1-CG 3.64Å; F117-M204 HydrophobicContact CD1-SD 4.31Å; F117-M204 HydrophobicContact CD2-CG 3.77Å; F117-M204 HydrophobicContact CD2-SD 4.1Å; F117-M204 HydrophobicContact CE1-CG 3.96Å; F117-M204 HydrophobicContact CE2-CG 4.08Å; F117-M204 HydrophobicContact CG-CG 3.53Å; F117-M204 HydrophobicContact CG-SD 3.74Å; F117-M204 HydrophobicContact CZ-CG 4.17Å; V137-M204 HydrophobicContact CB-SD 4.26Å; V137-M204 HydrophobicContact CG1-SD 4.15Å; I139-M204 HydrophobicContact CD1-CB 3.97Å; I139-M204 HydrophobicContact CD1-CG 4.09Å; L178-M204 HydrophobicContact CB-CE 4.17Å; L178-M204 HydrophobicContact CD2-CB 3.78Å; L178-M204 HydrophobicContact CD2-CE 4.15Å; L178-M204 HydrophobicContact CD2-CG 4.49Å; L178-M204 HydrophobicContact CD2-SD 4Å; Q200-M204 WeakPolarHBondContact O-CG 3.36Å; Q200-M204 PolarHBondContact O-N 3.37Å; A201-M204 HydrophobicContact CB-CE 4.16Å; A201-M204 PolarHBondContact O-N 2.76Å; M204-L207 PolarHBondContact O-N 3.06Å; M204-L208 VanDerWaalsContact O-CG 3.29Å; M204-L208 WeakPolarHBondContact O-CG 3.42Å; M204-L208 PolarHBondContact O-N 3.2Å
205E97.2Very high94.9Very high39 Ų3946.1 Ų46.118%0.18227%0.271CS..Hα-helixtrans-58-52.4173.7176.7177.7-125.300111.3C166 S167 L178 A201 L207 L208 D209C166-E205 WeakPolarHBondContact CA-OE1 3.43Å; S167-E205 WeakPolarHBondContact CB-OE2 3.46Å; S167-E205 VanDerWaalsContact N-CD 3.35Å; S167-E205 PolarHBondContact N-OE1 3.45Å; L178-E205 HydrophobicContact CD1-CB 4.38Å; A201-E205 PolarHBondContact O-N 2.76Å; E205-L207 PolarHBondContact O-N 2.77Å; E205-L208 PolarHBondContact O-N 3.02Å; E205-D209 PolarHBondContact O-N 3.34Å
206A97.5Very high94.2Very high55 Ų5553.4 Ų53.446%0.45530%0.303SS..Hα-helixtrans-58.7-35.7178.900000113P202 S210P202-A206 WeakPolarHBondContact O-CB 3.48Å; P202-A206 PolarHBondContact O-N 2.98Å; A206-S210 WeakPolarHBondContact O-CB 3.29Å; A206-S210 PolarHBondContact O-N 3.32Å
207L97.7Very high93Very high51 Ų5157 Ų5727%0.26734%0.339SS..Hα-helixtrans-68-44.8174.3178.161.6000111.6A115 F117 I139 L203 M204 E205 D209 S210 V211A115-L207 HydrophobicContact CB-CD2 3.84Å; F117-L207 HydrophobicContact CE2-CD2 3.71Å; F117-L207 HydrophobicContact CZ-CD2 3.74Å; I139-L207 HydrophobicContact CB-CD2 3.84Å; I139-L207 HydrophobicContact CD1-CD2 4.42Å; I139-L207 HydrophobicContact CG2-CD2 3.79Å; I139-L207 HydrophobicContact CG2-CG 4.07Å; L203-L207 WeakPolarHBondContact O-CB 3.25Å; L203-L207 PolarHBondContact O-N 3.4Å; M204-L207 PolarHBondContact O-N 3.06Å; E205-L207 PolarHBondContact O-N 2.77Å; L207-D209 VanDerWaalsContact C-N 3.35Å; L207-S210 PolarHBondContact O-N 3.07Å; L207-V211 HydrophobicContact CD1-CG2 4.29Å; L207-V211 WeakPolarHBondContact O-CG2 3.12Å; L207-V211 PolarHBondContact O-N 2.93Å
208L97.3Very high91.6Very high0 Ų063 Ų630%036%0.364CS..Hα-helixtrans-62.1-43.3178-71.2167.8000111.3I139 L144 I160 M163 W165 L178 M204 E205 S210 V211 A212I139-L208 HydrophobicContact CD1-CD1 4.46Å; I139-L208 HydrophobicContact CD1-CD2 4.27Å; I139-L208 HydrophobicContact CD1-CG 4.14Å; I139-L208 HydrophobicContact CG2-CD2 3.73Å; I139-L208 HydrophobicContact CG2-CG 4.37Å; L144-L208 HydrophobicContact CD1-CD1 4.22Å; L144-L208 HydrophobicContact CD1-CD2 4.24Å; I160-L208 HydrophobicContact CD1-CD2 3.95Å; I160-L208 HydrophobicContact CG1-CD2 3.97Å; I160-L208 HydrophobicContact CG2-CD2 4.24Å; M163-L208 HydrophobicContact CE-CD1 4.49Å; M163-L208 HydrophobicContact CE-CD2 3.72Å; W165-L208 HydrophobicContact CB-CD1 4.13Å; W165-L208 HydrophobicContact CD2-CB 3.81Å; W165-L208 HydrophobicContact CD2-CD1 3.88Å; W165-L208 HydrophobicContact CD2-CG 4.35Å; W165-L208 HydrophobicContact CE3-CB 4.48Å; W165-L208 HydrophobicContact CE3-CD1 4.44Å; W165-L208 HydrophobicContact CG-CB 4.19Å; W165-L208 HydrophobicContact CG-CD1 3.69Å; W165-L208 HydrophobicContact CH2-CB 4.38Å; W165-L208 HydrophobicContact CZ2-CB 3.68Å; W165-L208 WeakPolarHBondContact CZ2-O 3.41Å; L178-L208 HydrophobicContact CD1-CD1 4.26Å; L178-L208 HydrophobicContact CD2-CD1 4.27Å; M204-L208 VanDerWaalsContact O-CG 3.29Å; M204-L208 WeakPolarHBondContact O-CG 3.42Å; M204-L208 PolarHBondContact O-N 3.2Å; E205-L208 PolarHBondContact O-N 3.02Å; L208-S210 PolarHBondContact O-N 3.22Å; L208-V211 PolarHBondContact O-N 3.3Å; L208-A212 WeakPolarHBondContact O-CB 3.36Å; L208-A212 PolarHBondContact O-N 2.81Å
209D95.5Very high89.1Confident68 Ų6869.3 Ų69.336%0.36441%0.407SS..Hα-helixtrans-58.5-48.5174.4-68.8-13.7000110.8W165 E205 L207 V211 A212 T213W165-D209 PolarHBondContact NE1-OD1 3.03Å; E205-D209 PolarHBondContact O-N 3.34Å; L207-D209 VanDerWaalsContact C-N 3.35Å; D209-V211 VanDerWaalsContact C-N 3.3Å; D209-V211 PolarHBondContact O-N 3.48Å; D209-A212 PolarHBondContact O-N 3.24Å; D209-T213 PolarHBondContact O-N 3.19Å; D209-T213 PolarHBondContact O-OG1 2.93Å; D209-T213 VanDerWaalsContact O-OG1 3.09Å
210S95.1Very high86.9Confident76 Ų7664.5 Ų64.553%0.53140%0.404SS..Hα-helixtrans-60.9-37.8177.6-179.50000112.8A206 L207 L208 A214A206-S210 WeakPolarHBondContact O-CB 3.29Å; A206-S210 PolarHBondContact O-N 3.32Å; L207-S210 PolarHBondContact O-N 3.07Å; L208-S210 PolarHBondContact O-N 3.22Å; S210-A214 WeakPolarHBondContact O-CB 3.46Å; S210-A214 PolarHBondContact O-N 2.93Å
211V93Very high84.8Confident18 Ų1865.6 Ų65.611%0.10942%0.419CS..Hα-helixtrans-69.6-43.2177.1170.40000110.5I160 L207 L208 D209 A214 Q215I160-V211 HydrophobicContact CD1-CB 4.37Å; I160-V211 HydrophobicContact CD1-CG1 3.69Å; I160-V211 HydrophobicContact CG2-CG1 4.38Å; L207-V211 HydrophobicContact CD1-CG2 4.29Å; L207-V211 WeakPolarHBondContact O-CG2 3.12Å; L207-V211 PolarHBondContact O-N 2.93Å; L208-V211 PolarHBondContact O-N 3.3Å; D209-V211 VanDerWaalsContact C-N 3.3Å; D209-V211 PolarHBondContact O-N 3.48Å; V211-A214 PolarHBondContact O-N 3.3Å; V211-Q215 HydrophobicContact CG1-CG 4.42Å; V211-Q215 WeakPolarHBondContact O-CG 3.37Å; V211-Q215 PolarHBondContact O-N 3.12Å
212A91.6Very high82.9Confident23 Ų2372.1 Ų72.119%0.1945%0.448CS..Hα-helixtrans-60.6-48.7178.400000111.5W165 L208 D209 A214 Q215 E216W165-A212 HydrophobicContact CH2-CB 3.81Å; W165-A212 HydrophobicContact CZ2-CB 3.88Å; L208-A212 WeakPolarHBondContact O-CB 3.36Å; L208-A212 PolarHBondContact O-N 2.81Å; D209-A212 PolarHBondContact O-N 3.24Å; A212-A214 VanDerWaalsContact C-N 3.26Å; A212-A214 PolarHBondContact O-N 3.38Å; A212-Q215 WeakPolarHBondContact O-CB 3.42Å; A212-Q215 PolarHBondContact O-N 3.37Å; A212-E216 PolarHBondContact O-N 2.78Å; A212-E216 VanDerWaalsContact O-N 3.12Å
213T91.4Very high81.4Confident95 Ų9577 Ų7758%0.58346%0.458SS*.Hα-helixtrans-59.6-36.7175.4-54.70000112.1D209 Q215D209-T213 PolarHBondContact O-N 3.19Å; D209-T213 PolarHBondContact O-OG1 2.93Å; D209-T213 VanDerWaalsContact O-OG1 3.09Å; T213-Q215 VanDerWaalsContact C-N 3.33Å
214A89.1Confident80.2Confident60 Ų6078.8 Ų78.850%0.49646%0.464SS..Hα-helixtrans-70.4-28.3176.400000113.2S210 V211 A212S210-A214 WeakPolarHBondContact O-CB 3.46Å; S210-A214 PolarHBondContact O-N 2.93Å; V211-A214 PolarHBondContact O-N 3.3Å; A212-A214 VanDerWaalsContact C-N 3.26Å; A212-A214 PolarHBondContact O-N 3.38Å
215Q84.3Confident79.1Confident44 Ų4480.1 Ų80.121%0.20647%0.47CS..Hα-helixtrans-78.7-30177.9-74.1-179.1-12.800113.2S141 V211 A212 T213 G217 Q218S141-Q215 PolarHBondContact O-NE2 2.81Å; V211-Q215 HydrophobicContact CG1-CG 4.42Å; V211-Q215 WeakPolarHBondContact O-CG 3.37Å; V211-Q215 PolarHBondContact O-N 3.12Å; A212-Q215 WeakPolarHBondContact O-CB 3.42Å; A212-Q215 PolarHBondContact O-N 3.37Å; T213-Q215 VanDerWaalsContact C-N 3.33Å; Q215-G217 PolarHBondContact O-N 2.93Å; Q215-G217 VanDerWaalsContact O-N 3.08Å; Q215-Q218 PolarHBondContact O-N 3.21Å; Q215-Q218 VanDerWaalsContact O-O 3.11Å
216E78.9Confident78.3Confident163 Ų16381.6 Ų81.676%0.76248%0.48SS*.Hα-helixtrans-55.9-27.9178.2-73.2174.4177.400113.2A212A212-E216 PolarHBondContact O-N 2.78Å; A212-E216 VanDerWaalsContact O-N 3.12Å
217G70.5Confident77.4Confident75 Ų7586.2 Ų86.277%0.77349%0.492SS*.THydrogen-bonded Turntrans-84.6-9175.300000115.5Q215Q215-G217 PolarHBondContact O-N 2.93Å; Q215-G217 VanDerWaalsContact O-N 3.08Å
218Q66.8Low76.4Confident147 Ų14787.5 Ų87.569%0.68750%0.502SS*.SBendtrans-112.6107.4-176.3-62-177.213.200109.2Q215 G220Q215-Q218 PolarHBondContact O-N 3.21Å; Q215-Q218 VanDerWaalsContact O-O 3.11Å; Q218-G220 PolarHBondContact O-N 2.91Å
219C44.7Very low75.9Confident138 Ų13887.5 Ų87.593%0.93250%0.502SS*.  trans-51.4113.2176.9-170.40000110S221C219-S221 PolarHBondContact O-N 2.97Å
220G50Low75.3Confident62 Ų6287.7 Ų87.764%0.63950%0.501SS*.  trans-58.3103.5-160.700000114.3Q218 F222Q218-G220 PolarHBondContact O-N 2.91Å; G220-F222 PolarHBondContact O-N 2.83Å
221S52.5Low74.9Confident97 Ų9790.3 Ų90.368%0.67851%0.509SS*.  trans-80.3101.7145.3-1790000106C219 R223C219-S221 PolarHBondContact O-N 2.97Å; S221-R223 PolarHBondContact O-N 3.47Å
222F55.5Low74.8Confident137 Ų13792 Ų9260%0.60152%0.515SS*.  trans-55.9100.1153.5-74.5-87.4000105A161 G220 H224A161-F222 HydrophobicContact CB-CE1 4.14Å; A161-F222 HydrophobicContact CB-CZ 4.49Å; G220-F222 PolarHBondContact O-N 2.83Å; F222-H224 PolarHBondContact O-N 2.92Å
223R64.3Low74.7Confident166 Ų16691.1 Ų91.163%0.62651%0.506SS*.  trans-60.9113.7170.4-70.6-173.5174.7-177.80.7104.3W143 S221W143-R223 WeakPolarHBondContact CZ2-O 3.1Å; S221-R223 PolarHBondContact O-N 3.47Å
224H72.8Confident74.6Confident141 Ų14192.4 Ų92.465%0.65351%0.506SS*.PPolyproline II helixtrans-68.7147.3169.7-166.1-101.1000107.7F222 E230F222-H224 PolarHBondContact O-N 2.92Å; H224-E230 IonicContact CE1-OE1 2.59Å; H224-E230 PolarHBondContact CE1-OE1 2.86Å; H224-E230 IonicContact ND1-OE1 3.18Å; H224-E230 IonicContact NE2-OE1 3.81Å; H224-E230 PolarHBondContact NE2-OE1 2.95Å
225L76.2Confident74.7Confident27 Ų2791.5 Ų91.514%0.14149%0.493CS..PPolyproline II helixtrans-62.4141.6167.9-67.1173.4000107.8P110 W143 T157 E227 E230 F233P110-L225 HydrophobicContact CB-CD2 3.67Å; P110-L225 HydrophobicContact CG-CD2 3.29Å; W143-L225 HydrophobicContact CD2-CD2 4.43Å; W143-L225 HydrophobicContact CH2-CD1 4.36Å; W143-L225 HydrophobicContact CH2-CD2 3.99Å; W143-L225 HydrophobicContact CH2-CG 3.74Å; W143-L225 HydrophobicContact CZ2-CD2 3.63Å; W143-L225 HydrophobicContact CZ2-CG 3.76Å; W143-L225 HydrophobicContact CZ3-CD2 4.48Å; W143-L225 HydrophobicContact CZ3-CG 4.39Å; T157-L225 HydrophobicContact CG2-CD1 4.24Å; T157-L225 HydrophobicContact CG2-CD2 4.33Å; L225-E227 PolarHBondContact O-N 2.94Å; L225-E230 HydrophobicContact CB-CG 4.11Å; L225-F233 HydrophobicContact CD1-CB 4.32Å
226D78.7Confident75Confident71 Ų7192.4 Ų92.438%0.3849%0.494SS..PPolyproline II helixtrans-59.2138.7170-169.5-57.2000108.1T228 F229 E230D226-T228 VanDerWaalsContact CG-OG1 3.22Å; D226-T228 PolarHBondContact O-N 2.84Å; D226-T228 WeakPolarHBondContact OD1-CB 3.47Å; D226-T228 WeakPolarHBondContact OD1-CG2 3.41Å; D226-T228 PolarHBondContact OD1-N 3.48Å; D226-T228 PolarHBondContact OD1-OG1 2.83Å; D226-F229 HydrophobicContact CB-CD2 3.91Å; D226-F229 WeakPolarHBondContact O-CA 3.5Å; D226-F229 WeakPolarHBondContact O-CB 3.42Å; D226-F229 PolarHBondContact O-N 2.79Å; D226-E230 PolarHBondContact O-N 3.06Å; D226-E230 VanDerWaalsContact O-N 3.17Å
227E79.3Confident75.3Confident152 Ų15285.8 Ų85.871%0.7147%0.465SS*.Hα-helixtrans-51.3-31.8178.8-64.8177.7-17800111.7L225 F229 E230L225-E227 PolarHBondContact O-N 2.94Å; E227-F229 PolarHBondContact O-N 3.24Å; E227-E230 PolarHBondContact O-N 2.85Å
228T77Confident76.1Confident77 Ų7788 Ų8847%0.47246%0.459SS..Hα-helixtrans-65-22.717658.50000114.1D226D226-T228 VanDerWaalsContact CG-OG1 3.22Å; D226-T228 PolarHBondContact O-N 2.84Å; D226-T228 WeakPolarHBondContact OD1-CB 3.47Å; D226-T228 WeakPolarHBondContact OD1-CG2 3.41Å; D226-T228 PolarHBondContact OD1-N 3.48Å; D226-T228 PolarHBondContact OD1-OG1 2.83Å
229F86.3Confident77.2Confident0 Ų083.2 Ų83.20%044%0.44CS..Hα-helixtrans-101.8-21.2179.6-75.4-56.6000113.6L17 P18 H21 Q108 D226 E227 N231 F232 F233L17-F229 HydrophobicContact CD2-CE1 3.75Å; L17-F229 HydrophobicContact CD2-CZ 4.03Å; P18-F229 HydrophobicContact CG-CD1 4.11Å; P18-F229 HydrophobicContact CG-CE1 4.08Å; H21-F229 AromaticContact CD2-CZ 3.72Å; H21-F229 AromaticContact NE2-CZ 3.59Å; Q108-F229 HydrophobicContact CB-CE2 3.72Å; Q108-F229 HydrophobicContact CB-CZ 4.43Å; Q108-F229 WeakPolarHBondContact O-CE2 3.31Å; D226-F229 HydrophobicContact CB-CD2 3.91Å; D226-F229 WeakPolarHBondContact O-CA 3.5Å; D226-F229 WeakPolarHBondContact O-CB 3.42Å; D226-F229 PolarHBondContact O-N 2.79Å; E227-F229 PolarHBondContact O-N 3.24Å; F229-N231 PolarHBondContact O-N 3.22Å; F229-F232 PolarHBondContact O-N 2.86Å; F229-F233 HydrophobicContact CB-CD2 3.87Å; F229-F233 HydrophobicContact CB-CE2 4.36Å; F229-F233 AromaticContact CD1-CD2 3.98Å; F229-F233 HydrophobicContact CD1-CD2 3.98Å; F229-F233 AromaticContact CD1-CE2 3.65Å; F229-F233 HydrophobicContact CD1-CE2 3.65Å; F229-F233 HydrophobicContact CE1-CE2 4.36Å; F229-F233 HydrophobicContact CG-CD2 4.25Å; F229-F233 HydrophobicContact CG-CE2 4.24Å; F229-F233 WeakPolarHBondContact O-CD2 3.12Å; F229-F233 PolarHBondContact O-N 3.22Å
230E83.5Confident79.4Confident73 Ų7376.8 Ų76.834%0.34140%0.396SS..Hα-helixtrans-52.8-50.3-175.7-70.2-169.5132.200112.8H224 L225 D226 E227 F232 F233 E234H224-E230 IonicContact CE1-OE1 2.59Å; H224-E230 PolarHBondContact CE1-OE1 2.86Å; H224-E230 IonicContact ND1-OE1 3.18Å; H224-E230 IonicContact NE2-OE1 3.81Å; H224-E230 PolarHBondContact NE2-OE1 2.95Å; L225-E230 HydrophobicContact CB-CG 4.11Å; D226-E230 PolarHBondContact O-N 3.06Å; D226-E230 VanDerWaalsContact O-N 3.17Å; E227-E230 PolarHBondContact O-N 2.85Å; E230-F232 VanDerWaalsContact C-N 3.3Å; E230-F232 PolarHBondContact O-N 3.2Å; E230-F233 CarbonylContact O-C 3.58Å; E230-F233 PolarHBondContact O-N 2.82Å; E230-E234 WeakPolarHBondContact O-CA 3.37Å; E230-E234 PolarHBondContact O-N 2.82Å
231N87Confident81.3Confident131 Ų13174.4 Ų74.470%0.70137%0.369SS*.THydrogen-bonded Turntrans-65.7-33.4-179.7-67-29.4000112.7F229F229-N231 PolarHBondContact O-N 3.22Å
232F89.5Confident83Confident54 Ų5471.1 Ų71.124%0.23735%0.346CS..THydrogen-bonded Turntrans-75.1-42.4-178.5-172.4-94.6000111.3P16 P18 P154 F229 E230 E234 R236P16-F232 HydrophobicContact CB-CE1 3.94Å; P16-F232 HydrophobicContact CB-CZ 3.94Å; P16-F232 HydrophobicContact CG-CE1 4.22Å; P16-F232 WeakPolarHBondContact O-CE1 3.49Å; P18-F232 HydrophobicContact CB-CD2 4.33Å; P18-F232 HydrophobicContact CG-CB 3.96Å; P18-F232 HydrophobicContact CG-CD1 4.47Å; P18-F232 HydrophobicContact CG-CD2 3.99Å; P18-F232 HydrophobicContact CG-CG 3.88Å; P154-F232 HydrophobicContact CG-CD1 3.87Å; P154-F232 HydrophobicContact CG-CE1 3.62Å; P154-F232 HydrophobicContact CG-CZ 4.48Å; F229-F232 PolarHBondContact O-N 2.86Å; E230-F232 VanDerWaalsContact C-N 3.3Å; E230-F232 PolarHBondContact O-N 3.2Å; F232-E234 VanDerWaalsContact C-N 3.34Å; F232-R236 PolarHBondContact O-NH1 3Å; F232-R236 PolarHBondContact O-NH2 3.33Å
233F90.6Very high84.5Confident3 Ų364.6 Ų64.61%0.01332%0.318CS..SBendtrans-92.812.2-179.7-72.7-79.1000114P16 H109 P110 P154 T157 L225 F229 E230 N235P16-F233 WeakPolarHBondContact O-CZ 3.27Å; H109-F233 AromaticContact CD2-CZ 3.82Å; H109-F233 AromaticContact CE1-CZ 3.98Å; H109-F233 AromaticContact NE2-CZ 3.32Å; H109-F233 VanDerWaalsContact NE2-CZ 3.32Å; H109-F233 WeakPolarHBondContact NE2-CZ 3.17Å; P110-F233 HydrophobicContact CG-CD2 4.01Å; P110-F233 HydrophobicContact CG-CE2 4.02Å; P110-F233 HydrophobicContact CG-CG 4.36Å; P110-F233 HydrophobicContact CG-CZ 4.43Å; P154-F233 HydrophobicContact CB-CD1 3.61Å; P154-F233 HydrophobicContact CB-CE1 3.99Å; P154-F233 HydrophobicContact CB-CG 4.47Å; P154-F233 HydrophobicContact CG-CD1 3.54Å; P154-F233 HydrophobicContact CG-CE1 3.54Å; P154-F233 HydrophobicContact CG-CG 4.3Å; P154-F233 HydrophobicContact CG-CZ 4.29Å; T157-F233 HydrophobicContact CG2-CB 4.45Å; T157-F233 HydrophobicContact CG2-CD1 4.46Å; T157-F233 VanDerWaalsContact OG1-CD1 3.26Å; T157-F233 WeakPolarHBondContact OG1-CD1 3.13Å; L225-F233 HydrophobicContact CD1-CB 4.32Å; F229-F233 HydrophobicContact CB-CD2 3.87Å; F229-F233 HydrophobicContact CB-CE2 4.36Å; F229-F233 AromaticContact CD1-CD2 3.98Å; F229-F233 HydrophobicContact CD1-CD2 3.98Å; F229-F233 AromaticContact CD1-CE2 3.65Å; F229-F233 HydrophobicContact CD1-CE2 3.65Å; F229-F233 HydrophobicContact CE1-CE2 4.36Å; F229-F233 HydrophobicContact CG-CD2 4.25Å; F229-F233 HydrophobicContact CG-CE2 4.24Å; F229-F233 WeakPolarHBondContact O-CD2 3.12Å; F229-F233 PolarHBondContact O-N 3.22Å; E230-F233 CarbonylContact O-C 3.58Å; E230-F233 PolarHBondContact O-N 2.82Å; F233-N235 PolarHBondContact O-N 3.48Å
234E89.2Confident85.4Confident122 Ų12259 Ų5957%0.5730%0.3SS*.  trans-49.1134.1172-174.2-178.7-162.100110.2E230 F232 R236E230-E234 WeakPolarHBondContact O-CA 3.37Å; E230-E234 PolarHBondContact O-N 2.82Å; F232-E234 VanDerWaalsContact C-N 3.34Å; E234-R236 PolarHBondContact O-N 3.18Å; E234-R236 PolarHBondContact O-NH1 2.97Å
235N91Very high85.8Confident42 Ų4252.4 Ų52.423%0.22527%0.269CS..  trans-70.4122.3-178-72.9-28.7000110L156 T157 F233 T237L156-N235 WeakPolarHBondContact CA-OD1 3.17Å; T157-N235 PolarHBondContact N-OD1 3.06Å; T157-N235 PolarHBondContact O-OD1 3.09Å; F233-N235 PolarHBondContact O-N 3.48Å; N235-T237 HydrophobicContact CB-CG2 4.23Å
236R91.1Very high86Confident63 Ų6351.7 Ų51.724%0.23827%0.266CS..  trans-105.945.7-179.6-61.7173.6-17987.611.1110.1P154 L155 F232 E234 D238 T239P154-R236 PolarHBondContact O-NH1 2.72Å; L155-R236 PolarHBondContact O-N 3.03Å; F232-R236 PolarHBondContact O-NH1 3Å; F232-R236 PolarHBondContact O-NH2 3.33Å; E234-R236 PolarHBondContact O-N 3.18Å; E234-R236 PolarHBondContact O-NH1 2.97Å; R236-D238 WeakPolarHBondContact CA-OD1 3.3Å; R236-D238 PolarHBondContact O-N 2.59Å; R236-T239 HydrophobicContact CB-CG2 4.31Å; R236-T239 WeakPolarHBondContact O-CB 3.3Å; R236-T239 PolarHBondContact O-N 3.18Å; R236-T239 PolarHBondContact O-OG1 2.93Å
237T85.8Confident85.6Confident23 Ų2350.7 Ų50.714%0.14126%0.26CS..G310 helixtrans-66.3-24.4-172.950.10000112.5L156 F182 I194 N235 T239 V240L156-T237 HydrophobicContact CD1-CG2 3.85Å; F182-T237 HydrophobicContact CE2-CG2 3.86Å; F182-T237 HydrophobicContact CZ-CG2 3.87Å; I194-T237 HydrophobicContact CD1-CG2 4.43Å; N235-T237 HydrophobicContact CB-CG2 4.23Å; T237-T239 PolarHBondContact O-N 2.83Å; T237-V240 PolarHBondContact O-N 2.81Å; T237-V240 VanDerWaalsContact O-N 3.09Å
238D86.1Confident85.3Confident123 Ų12351.9 Ų51.966%0.65826%0.258SS*.G310 helixtrans-60-27.8170.568.2-52.7000113.1H124 R236H124-D238 PolarHBondContact CD2-O 3.04Å; R236-D238 WeakPolarHBondContact CA-OD1 3.3Å; R236-D238 PolarHBondContact O-N 2.59Å
239T89.4Confident85.3Confident45 Ų4555.4 Ų55.428%0.27627%0.267SS..G310 helixtrans-84.8-18.6176.972.20000113L123 H124 R236 T237L123-T239 CarbonylContact C-O 3.45Å; L123-T239 WeakPolarHBondContact CA-O 3.48Å; L123-T239 WeakPolarHBondContact CB-O 3.5Å; L123-T239 WeakPolarHBondContact CD2-O 3.37Å; H124-T239 PolarHBondContact N-O 2.9Å; R236-T239 HydrophobicContact CB-CG2 4.31Å; R236-T239 WeakPolarHBondContact O-CB 3.3Å; R236-T239 PolarHBondContact O-N 3.18Å; R236-T239 PolarHBondContact O-OG1 2.93Å; T237-T239 PolarHBondContact O-N 2.83Å
240V91.9Very high84.6Confident3 Ų357 Ų572%0.01828%0.275CS..BIsolated β-bridgetrans-97.2131.4-177.1-171.20000109.4L123 L155 I194 T237 S242L123-V240 HydrophobicContact CD2-CB 4.1Å; L123-V240 HydrophobicContact CD2-CG1 4.23Å; L123-V240 HydrophobicContact CD2-CG2 3.71Å; L155-V240 HydrophobicContact CB-CG2 4.12Å; I194-V240 HydrophobicContact CD1-CB 4.05Å; I194-V240 HydrophobicContact CD1-CG1 3.77Å; I194-V240 HydrophobicContact CD1-CG2 4.48Å; I194-V240 HydrophobicContact CG1-CG1 3.91Å; I194-V240 HydrophobicContact CG2-CG1 3.91Å; T237-V240 PolarHBondContact O-N 2.81Å; T237-V240 VanDerWaalsContact O-N 3.09Å; V240-S242 PolarHBondContact O-N 3.3Å; V240-S242 VanDerWaalsContact O-N 3.12Å
241V89.2Confident84.2Confident12 Ų1256.9 Ų56.97%0.07328%0.279CS..  trans-64.9116.9173175.90000108.3E122 T130 P256E122-V241 HydrophobicContact CB-CB 3.93Å; E122-V241 HydrophobicContact CB-CG1 4.5Å; E122-V241 HydrophobicContact CB-CG2 4.12Å; E122-V241 HydrophobicContact CG-CB 3.99Å; E122-V241 HydrophobicContact CG-CG1 4.36Å; E122-V241 HydrophobicContact CG-CG2 3.71Å; E122-V241 WeakPolarHBondContact O-CB 3.4Å; E122-V241 PolarHBondContact O-N 2.86Å; T130-V241 HydrophobicContact CG2-CG2 3.53Å; V241-P256 HydrophobicContact CG1-CB 3.76Å; V241-P256 HydrophobicContact CG1-CG 3.35Å
242S89Confident83.9Confident28 Ų2852.7 Ų52.720%0.19626%0.26CS..  trans-131.3151.9-176.5530000111.3M193 V240M193-S242 CarbonylContact O-C 3.53Å; M193-S242 WeakPolarHBondContact O-CA 3.19Å; M193-S242 VanDerWaalsContact O-CB 3.22Å; M193-S242 WeakPolarHBondContact O-CB 3.33Å; V240-S242 PolarHBondContact O-N 3.3Å; V240-S242 VanDerWaalsContact O-N 3.12Å
243A85.8Confident83.5Confident0 Ų054.4 Ų54.40%027%0.271CS..EExtended strand (participates in β ladder)trans-91.1149.6165.900000109.4N192 M193 F245 D254 M255N192-A243 CarbonylContact C-O 3.56Å; M193-A243 HydrophobicContact CB-CB 4.04Å; M193-A243 HydrophobicContact CE-CB 3.55Å; M193-A243 PolarHBondContact N-O 3.41Å; M193-A243 PolarHBondContact O-N 2.98Å; M193-A243 HydrophobicContact SD-CB 4.36Å; A243-F245 HydrophobicContact CB-CE2 3.78Å; A243-F245 HydrophobicContact CB-CZ 4.39Å; A243-D254 CarbonylContact C-O 3.54Å; A243-D254 WeakPolarHBondContact CA-O 3.29Å; A243-D254 WeakPolarHBondContact CB-O 3.25Å; A243-M255 HydrophobicContact CB-CB 4.19Å; A243-M255 HydrophobicContact CB-CG 4.2Å
244L84.3Confident83.2Confident49 Ų4959 Ų5926%0.25730%0.296SS..EExtended strand (participates in β ladder)trans-118.8132.9-177.9-171.769.9000109.9L190 N192 L253 D254L190-L244 HydrophobicContact CB-CD1 3.98Å; L190-L244 HydrophobicContact CD1-CD1 4.22Å; L190-L244 HydrophobicContact CD1-CD2 4.33Å; N192-L244 VanDerWaalsContact OD1-CD1 3.31Å; N192-L244 WeakPolarHBondContact OD1-CD1 3.43Å; L244-L253 HydrophobicContact CB-CB 4.34Å; L244-L253 HydrophobicContact CD2-CB 4.3Å; L244-L253 HydrophobicContact CD2-CD1 3.78Å; L244-L253 HydrophobicContact CG-CB 4.41Å; L244-L253 HydrophobicContact CG-CD1 4.1Å; L244-L253 PolarHBondContact O-N 3.39Å; L244-D254 PolarHBondContact N-O 3.08Å; L244-D254 PolarHBondContact O-N 3.12Å
245F81.2Confident83Confident2 Ų253.9 Ų53.91%0.00927%0.272CS..EExtended strand (participates in β ladder)trans-124.3133.4-179.7-63.9-100000111L181 L190 N191 M193 A243 C252 M255 L282L181-F245 HydrophobicContact CD2-CD2 4.3Å; L181-F245 HydrophobicContact CD2-CE2 4.18Å; L190-F245 VanDerWaalsContact CA-O 3.24Å; L190-F245 WeakPolarHBondContact CA-O 3.44Å; L190-F245 WeakPolarHBondContact CD2-O 3.31Å; N191-F245 HydrophobicContact CB-CB 4.38Å; N191-F245 PolarHBondContact N-O 2.83Å; N191-F245 PolarHBondContact O-N 3.39Å; M193-F245 HydrophobicContact CB-CD2 4.27Å; M193-F245 HydrophobicContact CB-CE2 3.66Å; M193-F245 HydrophobicContact CE-CE2 4.49Å; M193-F245 HydrophobicContact CG-CE2 4.26Å; M193-F245 HydrophobicContact SD-CE2 3.68Å; M193-F245 HydrophobicContact SD-CZ 3.83Å; A243-F245 HydrophobicContact CB-CE2 3.78Å; A243-F245 HydrophobicContact CB-CZ 4.39Å; F245-C252 HydrophobicContact CD1-CB 3.73Å; F245-C252 HydrophobicContact CE1-CB 3.59Å; F245-C252 HydrophobicContact CZ-CB 4.36Å; F245-M255 HydrophobicContact CE1-CE 4.1Å; F245-M255 HydrophobicContact CE2-CE 4.44Å; F245-M255 HydrophobicContact CZ-CE 3.5Å; F245-L282 HydrophobicContact CE1-CD2 4.45Å
246D79.3Confident82.6Confident12 Ų1252.6 Ų52.66%0.06427%0.266CS..EExtended strand (participates in β ladder)trans-94.1102165.2-174.3-16.1000108.9L190 R248 K249 N250 V251 L253L190-D246 HydrophobicContact CD2-CB 4.01Å; D246-R248 VanDerWaalsContact C-N 3.29Å; D246-R248 PolarHBondContact O-N 3.14Å; D246-R248 PolarHBondContact OD1-N 3.21Å; D246-R248 VanDerWaalsContact OD1-N 3.09Å; D246-K249 HydrophobicContact CB-CB 4.35Å; D246-K249 PolarHBondContact O-N 2.8Å; D246-K249 PolarHBondContact OD1-N 3.4Å; D246-K249 VanDerWaalsContact OD2-CD 3.28Å; D246-K249 WeakPolarHBondContact OD2-CD 3.24Å; D246-K249 WeakPolarHBondContact OD2-CE 3.49Å; D246-K249 WeakPolarHBondContact OD2-CG 3.31Å; D246-K249 IonicContact OD2-NZ 2.78Å; D246-N250 VanDerWaalsContact O-CA 3.29Å; D246-N250 WeakPolarHBondContact O-CA 3.28Å; D246-N250 PolarHBondContact O-N 2.81Å; D246-V251 PolarHBondContact N-O 3.04Å; D246-V251 PolarHBondContact O-N 2.97Å; D246-L253 HydrophobicContact CB-CD1 4.06Å; D246-L253 HydrophobicContact CB-CD2 4.12Å; D246-L253 HydrophobicContact CB-CG 4.09Å
247I71.4Confident82.1Confident51 Ų5155.7 Ų55.726%0.26228%0.283SS..THydrogen-bonded Turntrans-65.7-33.7-176.8-51.2167.5000111.1Q189 N191 K249 N250Q189-I247 WeakPolarHBondContact O-CG1 3.21Å; Q189-I247 PolarHBondContact O-N 3.3Å; N191-I247 HydrophobicContact CB-CD1 4.39Å; N191-I247 HydrophobicContact CB-CG1 4.47Å; N191-I247 VanDerWaalsContact CG-CD1 3.41Å; N191-I247 WeakPolarHBondContact ND2-CD1 3.38Å; N191-I247 WeakPolarHBondContact OD1-CD1 3.29Å; I247-K249 VanDerWaalsContact C-N 3.32Å; I247-K249 PolarHBondContact O-N 3.48Å; I247-N250 PolarHBondContact O-N 3.23Å; I247-N250 VanDerWaalsContact O-N 3.14Å
248R73Confident81.7Confident177 Ų17757 Ų5767%0.66829%0.293SS*.THydrogen-bonded Turntrans-68.5-35.7-177.2-70.9-175.2-68.5-174.4-6.1112.4Q189 D246 N250Q189-R248 HydrophobicContact CB-CG 4.33Å; D246-R248 VanDerWaalsContact C-N 3.29Å; D246-R248 PolarHBondContact O-N 3.14Å; D246-R248 PolarHBondContact OD1-N 3.21Å; D246-R248 VanDerWaalsContact OD1-N 3.09Å; R248-N250 VanDerWaalsContact C-N 3.33Å
249K76.6Confident81.5Confident151 Ų15151.5 Ų51.566%0.65726%0.263SS*.THydrogen-bonded Turntrans-89.4-12.5174.5-65.5-177.1-171.5163.80112.1D246 I247 V251D246-K249 HydrophobicContact CB-CB 4.35Å; D246-K249 PolarHBondContact O-N 2.8Å; D246-K249 PolarHBondContact OD1-N 3.4Å; D246-K249 VanDerWaalsContact OD2-CD 3.28Å; D246-K249 WeakPolarHBondContact OD2-CD 3.24Å; D246-K249 WeakPolarHBondContact OD2-CE 3.49Å; D246-K249 WeakPolarHBondContact OD2-CG 3.31Å; D246-K249 IonicContact OD2-NZ 2.78Å; I247-K249 VanDerWaalsContact C-N 3.32Å; I247-K249 PolarHBondContact O-N 3.48Å; K249-V251 HydrophobicContact CB-CB 4.42Å; K249-V251 HydrophobicContact CB-CG2 4.15Å; K249-V251 WeakPolarHBondContact O-CG2 3.29Å
250N71.9Confident81.2Confident33 Ų3353.5 Ų53.518%0.17627%0.266CS..THydrogen-bonded Turntrans5454.8-172.2176.251.8000112.1D246 I247 R248 C281 L282 A283D246-N250 VanDerWaalsContact O-CA 3.29Å; D246-N250 WeakPolarHBondContact O-CA 3.28Å; D246-N250 PolarHBondContact O-N 2.81Å; I247-N250 PolarHBondContact O-N 3.23Å; I247-N250 VanDerWaalsContact O-N 3.14Å; R248-N250 VanDerWaalsContact C-N 3.33Å; N250-C281 PolarHBondContact OD1-O 2.76Å; N250-L282 PolarHBondContact ND2-O 3.25Å; N250-L282 WeakPolarHBondContact OD1-CA 3.47Å; N250-L282 PolarHBondContact OD1-N 2.93Å; N250-A283 WeakPolarHBondContact CB-O 3.24Å; N250-A283 VanDerWaalsContact CB-OXT 3.24Å; N250-A283 WeakPolarHBondContact CB-OXT 3.41Å; N250-A283 WeakPolarHBondContact ND2-CA 3.43Å; N250-A283 PolarHBondContact ND2-N 3.29Å; N250-A283 PolarHBondContact ND2-O 2.8Å; N250-A283 PolarHBondContact ND2-OXT 2.8Å; N250-A283 PolarHBondContact OD1-N 3.03Å; N250-A283 PolarHBondContact OD1-OXT 3.05Å
251V75.7Confident80.6Confident70 Ų7056.3 Ų56.342%0.42429%0.286SS..EExtended strand (participates in β ladder)trans-134.7131.9-177.5175.30000110D246 K249 L253D246-V251 PolarHBondContact N-O 3.04Å; D246-V251 PolarHBondContact O-N 2.97Å; K249-V251 HydrophobicContact CB-CB 4.42Å; K249-V251 HydrophobicContact CB-CG2 4.15Å; K249-V251 WeakPolarHBondContact O-CG2 3.29Å; V251-L253 HydrophobicContact CG1-CD2 4.39Å; V251-L253 PolarHBondContact O-N 3.3Å
252C80.6Confident80.2Confident44 Ų4456.8 Ų56.830%0.29729%0.286SS..EExtended strand (participates in β ladder)trans-71.3114.1162.9-173.20000109.3F245 D254F245-C252 HydrophobicContact CD1-CB 3.73Å; F245-C252 HydrophobicContact CE1-CB 3.59Å; F245-C252 HydrophobicContact CZ-CB 4.36Å; C252-D254 PolarHBondContact SG-O 2.88Å; C252-D254 VanDerWaalsContact SG-O 3.35Å
253L81.4Confident79.7Confident89 Ų8955.8 Ų55.847%0.46628%0.278SS..EExtended strand (participates in β ladder)trans-79.6-39.1-178.6-61.4-178.1000111.9L190 L244 D246 V251L190-L253 HydrophobicContact CD2-CD1 3.91Å; L244-L253 HydrophobicContact CB-CB 4.34Å; L244-L253 HydrophobicContact CD2-CB 4.3Å; L244-L253 HydrophobicContact CD2-CD1 3.78Å; L244-L253 HydrophobicContact CG-CB 4.41Å; L244-L253 HydrophobicContact CG-CD1 4.1Å; L244-L253 PolarHBondContact O-N 3.39Å; D246-L253 HydrophobicContact CB-CD1 4.06Å; D246-L253 HydrophobicContact CB-CD2 4.12Å; D246-L253 HydrophobicContact CB-CG 4.09Å; V251-L253 HydrophobicContact CG1-CD2 4.39Å; V251-L253 PolarHBondContact O-N 3.3Å
254D83.6Confident79.3Confident100 Ų10060.8 Ų60.854%0.53530%0.304SS..EExtended strand (participates in β ladder)trans-148.6138.3177-1719.8000109.2A243 L244 C252A243-D254 CarbonylContact C-O 3.54Å; A243-D254 WeakPolarHBondContact CA-O 3.29Å; A243-D254 WeakPolarHBondContact CB-O 3.25Å; L244-D254 PolarHBondContact N-O 3.08Å; L244-D254 PolarHBondContact O-N 3.12Å; C252-D254 PolarHBondContact SG-O 2.88Å; C252-D254 VanDerWaalsContact SG-O 3.35Å
255M84.9Confident78.8Confident14 Ų1464.8 Ų64.87%0.06932%0.322CS..  trans-142.1124.5176-175.9169.7-75.100109.9M193 A243 F245 R260 W263M193-M255 HydrophobicContact CE-CE 4.2Å; A243-M255 HydrophobicContact CB-CB 4.19Å; A243-M255 HydrophobicContact CB-CG 4.2Å; F245-M255 HydrophobicContact CE1-CE 4.1Å; F245-M255 HydrophobicContact CE2-CE 4.44Å; F245-M255 HydrophobicContact CZ-CE 3.5Å; M255-R260 HydrophobicContact CG-CB 3.99Å; M255-R260 HydrophobicContact CG-CG 4.37Å; M255-R260 PolarHBondContact O-NH2 3.43Å; M255-R260 WeakPolarHBondContact SD-CA 3.12Å; M255-R260 HydrophobicContact SD-CB 3.85Å; M255-R260 HydrophobicContact SD-CG 3.87Å; M255-W263 HydrophobicContact CE-CB 4.39Å; M255-W263 HydrophobicContact CE-CD2 4.26Å; M255-W263 HydrophobicContact CE-CG 3.84Å; M255-W263 HydrophobicContact SD-CB 4.07Å; M255-W263 HydrophobicContact SD-CG 4.12Å
256P82.8Confident78.2Confident15 Ų1566.5 Ų66.510%0.09733%0.331CS..  trans-57.4138.4173.9-2433.6000111.8V241 S258 I259 R260V241-P256 HydrophobicContact CG1-CB 3.76Å; V241-P256 HydrophobicContact CG1-CG 3.35Å; P256-S258 PolarHBondContact O-N 3.35Å; P256-I259 HydrophobicContact CB-CD1 4.3Å; P256-I259 HydrophobicContact CG-CD1 4.12Å; P256-I259 PolarHBondContact O-N 2.82Å; P256-R260 PolarHBondContact O-N 3.32Å
257E81Confident77.5Confident129 Ų12968.8 Ų68.860%0.60335%0.345SS*.Hα-helixtrans-57.2-34.8179.3-161.868.5-127.500112.3I259 R260E257-I259 PolarHBondContact O-N 2.75Å; E257-R260 PolarHBondContact O-N 3.12Å; E257-R260 IonicContact OE1-NH1 3.75Å; E257-R260 PolarHBondContact OE1-NH1 3.49Å; E257-R260 IonicContact OE2-CZ 3.7Å; E257-R260 IonicContact OE2-NH1 2.82Å; E257-R260 PolarHBondContact OE2-NH1 2.92Å; E257-R260 IonicContact OE2-NH2 3.62Å
258S77.1Confident76.4Confident49 Ų4973.1 Ų73.134%0.34337%0.369SS..Hα-helixtrans-58.8-28.4178.753.90000113E122 P256E122-S258 WeakPolarHBondContact OE2-CB 3.47Å; E122-S258 PolarHBondContact OE2-OG 3.03Å; P256-S258 PolarHBondContact O-N 3.35Å
259I80.7Confident74.8Confident8 Ų874.4 Ų74.44%0.04138%0.375CS..Hα-helixtrans-103.2-33.1-179.2-53.9165.6000111L177 M193 A195 P256 E257 S261 R262 W263L177-I259 HydrophobicContact CD1-CG2 4.44Å; M193-I259 HydrophobicContact CE-CB 4.29Å; M193-I259 HydrophobicContact CE-CD1 3.93Å; M193-I259 HydrophobicContact CE-CG2 3.57Å; A195-I259 HydrophobicContact CB-CD1 3.46Å; A195-I259 VanDerWaalsContact CB-CD1 3.46Å; A195-I259 HydrophobicContact CB-CG1 3.77Å; P256-I259 HydrophobicContact CB-CD1 4.3Å; P256-I259 HydrophobicContact CG-CD1 4.12Å; P256-I259 PolarHBondContact O-N 2.82Å; E257-I259 PolarHBondContact O-N 2.75Å; I259-S261 PolarHBondContact O-N 2.86Å; I259-R262 PolarHBondContact O-N 2.87Å; I259-R262 VanDerWaalsContact O-N 3.14Å; I259-W263 HydrophobicContact CG2-CB 4.27Å; I259-W263 WeakPolarHBondContact O-CB 3.45Å; I259-W263 PolarHBondContact O-N 3.33Å
260R83Confident73.1Confident88 Ų8870.2 Ų70.233%0.33237%0.365SS..Hα-helixtrans-53.5-50.9-170.4-167.4-176.2-58.5136.82.7114.4M255 P256 E257 R262 W263 L264M255-R260 HydrophobicContact CG-CB 3.99Å; M255-R260 HydrophobicContact CG-CG 4.37Å; M255-R260 PolarHBondContact O-NH2 3.43Å; M255-R260 WeakPolarHBondContact SD-CA 3.12Å; M255-R260 HydrophobicContact SD-CB 3.85Å; M255-R260 HydrophobicContact SD-CG 3.87Å; P256-R260 PolarHBondContact O-N 3.32Å; E257-R260 PolarHBondContact O-N 3.12Å; E257-R260 IonicContact OE1-NH1 3.75Å; E257-R260 PolarHBondContact OE1-NH1 3.49Å; E257-R260 IonicContact OE2-CZ 3.7Å; E257-R260 IonicContact OE2-NH1 2.82Å; E257-R260 PolarHBondContact OE2-NH1 2.92Å; E257-R260 IonicContact OE2-NH2 3.62Å; R260-R262 VanDerWaalsContact C-N 3.33Å; R260-R262 PolarHBondContact O-N 2.76Å; R260-W263 PolarHBondContact O-N 2.95Å; R260-L264 HydrophobicContact CG-CD1 3.97Å; R260-L264 HydrophobicContact CG-CG 4.43Å; R260-L264 WeakPolarHBondContact O-CB 3.49Å; R260-L264 VanDerWaalsContact O-CG 3.3Å; R260-L264 WeakPolarHBondContact O-CG 2.84Å; R260-L264 PolarHBondContact O-N 3.03Å
261S80.8Confident71.5Confident62 Ų6275.3 Ų75.343%0.43438%0.381SS..Hα-helixtrans-61-42-178.855.40000112.5I259 Q265I259-S261 PolarHBondContact O-N 2.86Å; S261-Q265 VanDerWaalsContact O-CG 3.25Å; S261-Q265 WeakPolarHBondContact O-CG 3.46Å; S261-Q265 PolarHBondContact O-N 3.4Å
262R79.4Confident69.4Low22 Ų2279.9 Ų79.98%0.08340%0.398CS..Hα-helixtrans-73.2-38.9-180-63.2177.866.7167.51.1112L168 E169 D175 P176 L177 I259 R260 Q265 N266L168-R262 HydrophobicContact CD1-CB 4.41Å; L168-R262 PolarHBondContact O-NH2 2.91Å; E169-R262 PolarHBondContact O-NE 2.73Å; E169-R262 PolarHBondContact O-NH2 2.68Å; D175-R262 VanDerWaalsContact O-CZ 3.22Å; D175-R262 PolarHBondContact O-NH1 3.45Å; D175-R262 PolarHBondContact O-NH2 2.85Å; P176-R262 VanDerWaalsContact CA-NH2 3.29Å; L177-R262 VanDerWaalsContact CG-CZ 3.4Å; I259-R262 PolarHBondContact O-N 2.87Å; I259-R262 VanDerWaalsContact O-N 3.14Å; R260-R262 VanDerWaalsContact C-N 3.33Å; R260-R262 PolarHBondContact O-N 2.76Å; R262-Q265 PolarHBondContact O-N 3.4Å; R262-N266 PolarHBondContact O-N 3.19Å; R262-N266 PolarHBondContact O-ND2 3.2Å
263W79.9Confident67.2Low7 Ų784 Ų843%0.02743%0.425CS..Hα-helixtrans-60.5-53.9175.5-176.4-94.2000110.4L168 V179 L181 M193 M255 I259 R260 Q265 N266 V267 M278 L282L168-W263 HydrophobicContact CD1-CE3 4.05Å; V179-W263 HydrophobicContact CB-CZ3 4.39Å; V179-W263 HydrophobicContact CG1-CE3 4.43Å; V179-W263 HydrophobicContact CG1-CZ3 3.82Å; V179-W263 HydrophobicContact CG2-CZ3 4.47Å; L181-W263 HydrophobicContact CD1-CH2 4.21Å; M193-W263 HydrophobicContact SD-CE3 4Å; M193-W263 HydrophobicContact SD-CH2 4.26Å; M193-W263 HydrophobicContact SD-CZ3 3.9Å; M255-W263 HydrophobicContact CE-CB 4.39Å; M255-W263 HydrophobicContact CE-CD2 4.26Å; M255-W263 HydrophobicContact CE-CG 3.84Å; M255-W263 HydrophobicContact SD-CB 4.07Å; M255-W263 HydrophobicContact SD-CG 4.12Å; I259-W263 HydrophobicContact CG2-CB 4.27Å; I259-W263 WeakPolarHBondContact O-CB 3.45Å; I259-W263 PolarHBondContact O-N 3.33Å; R260-W263 PolarHBondContact O-N 2.95Å; W263-Q265 VanDerWaalsContact C-N 3.28Å; W263-Q265 PolarHBondContact O-N 3Å; W263-N266 PolarHBondContact O-N 3.01Å; W263-V267 HydrophobicContact CD2-CG2 4.21Å; W263-V267 HydrophobicContact CG-CG2 4.14Å; W263-V267 HydrophobicContact CZ2-CG2 4.28Å; W263-V267 VanDerWaalsContact NE1-CG2 3.3Å; W263-V267 VanDerWaalsContact O-CG2 3.28Å; W263-V267 WeakPolarHBondContact O-CG2 3.4Å; W263-V267 PolarHBondContact O-N 2.84Å; W263-M278 HydrophobicContact CH2-CE 3.49Å; W263-M278 VanDerWaalsContact CH2-CE 3.49Å; W263-M278 HydrophobicContact CH2-SD 3.69Å; W263-M278 HydrophobicContact CZ2-CE 4.33Å; W263-M278 HydrophobicContact CZ3-CE 3.94Å; W263-M278 HydrophobicContact CZ3-SD 4.38Å; W263-L282 HydrophobicContact CZ2-CD1 4.34Å
264L77.2Confident65Low104 Ų10487.5 Ų87.555%0.54544%0.444SS..Hα-helixtrans-59-36.5179.9-68.4174000113R260 N266R260-L264 HydrophobicContact CG-CD1 3.97Å; R260-L264 HydrophobicContact CG-CG 4.43Å; R260-L264 WeakPolarHBondContact O-CB 3.49Å; R260-L264 VanDerWaalsContact O-CG 3.3Å; R260-L264 WeakPolarHBondContact O-CG 2.84Å; R260-L264 PolarHBondContact O-N 3.03Å; L264-N266 VanDerWaalsContact C-N 3.31Å; L264-N266 PolarHBondContact O-N 3.43Å
265Q73Confident62.8Low133 Ų13386.5 Ų86.562%0.62144%0.438SS*.Hα-helixtrans-66.1-30.3176.4-75.9171.62.600113.9S261 R262 W263S261-Q265 VanDerWaalsContact O-CG 3.25Å; S261-Q265 WeakPolarHBondContact O-CG 3.46Å; S261-Q265 PolarHBondContact O-N 3.4Å; R262-Q265 PolarHBondContact O-N 3.4Å; W263-Q265 VanDerWaalsContact C-N 3.28Å; W263-Q265 PolarHBondContact O-N 3Å
266N69.8Low60.4Low39 Ų3991.2 Ų91.221%0.20947%0.473CS..Hα-helixtrans-97.1-23.8-176.1-75.6-85000113.1L168 R262 W263 L264 D268 Y269L168-N266 HydrophobicContact CD2-CB 3.73Å; R262-N266 PolarHBondContact O-N 3.19Å; R262-N266 PolarHBondContact O-ND2 3.2Å; W263-N266 PolarHBondContact O-N 3.01Å; L264-N266 VanDerWaalsContact C-N 3.31Å; L264-N266 PolarHBondContact O-N 3.43Å; N266-D268 PolarHBondContact O-N 3.47Å; N266-Y269 PolarHBondContact O-N 2.88Å
267V62.9Low58.3Low59 Ų5992 Ų9236%0.35848%0.478SS..Hα-helixtrans-60.7-35.3174.3168.20000111.2W263 Y269 L282W263-V267 HydrophobicContact CD2-CG2 4.21Å; W263-V267 HydrophobicContact CG-CG2 4.14Å; W263-V267 HydrophobicContact CZ2-CG2 4.28Å; W263-V267 VanDerWaalsContact NE1-CG2 3.3Å; W263-V267 VanDerWaalsContact O-CG2 3.28Å; W263-V267 WeakPolarHBondContact O-CG2 3.4Å; W263-V267 PolarHBondContact O-N 2.84Å; V267-Y269 PolarHBondContact O-N 2.93Å; V267-L282 HydrophobicContact CB-CD1 4.26Å; V267-L282 HydrophobicContact CG1-CD1 3.54Å; V267-L282 HydrophobicContact CG2-CD1 3.58Å
268D50.1Low56.5Low142 Ų14288.3 Ų88.376%0.75946%0.462SS*.THydrogen-bonded Turntrans-71.2-5.8175.9-77-21000113.6N266N266-D268 PolarHBondContact O-N 3.47Å
269Y38.3Very low54.7Low204 Ų20492 Ų9280%0.847%0.474SS*.THydrogen-bonded Turntrans-1265.2-166.9-91-79.4000117.5N266 V267N266-Y269 PolarHBondContact O-N 2.88Å; V267-Y269 PolarHBondContact O-N 2.93Å
270S40.8Very low52.7Low63 Ų6398.4 Ų98.444%0.44150%0.503SS..  trans-134126.2-179.2-121.80000109.9
271R38.7Very low50.7Low140 Ų14095.2 Ų95.253%0.52849%0.494SS..  cis-164.5170.59.1-108.2154.8167.1-148.317.4108.1D275R271-D275 HydrophobicContact CB-CB 3.96Å; R271-D275 WeakPolarHBondContact CD-OD2 3.28Å; R271-D275 IonicContact CZ-OD2 3.04Å; R271-D275 IonicContact NE-OD2 2.66Å; R271-D275 IonicContact NH1-OD2 3.61Å; R271-D275 PolarHBondContact NH1-OD2 2.71Å
272E31.7Very low48.6Very low166 Ų16695.5 Ų95.578%0.77649%0.491SS*.  trans-48.4148.7179.3-75.2-168.5171.700113.8N274 D275E272-N274 PolarHBondContact O-N 2.87Å; E272-D275 PolarHBondContact O-N 3.13Å
273P34.3Very low46.5Very low132 Ų13299.3 Ų99.386%0.85753%0.527SS*.THydrogen-bonded Turntrans-60.9-0.6-166.720.9-33.4000117.3
274N35.4Very low44.8Very low162 Ų162104 Ų10487%0.86655%0.552SS**THydrogen-bonded Turntrans-104.9-3.4173.9-77.1-14.5000114.1E272 S276E272-N274 PolarHBondContact O-N 2.87Å; N274-S276 PolarHBondContact O-N 2.64Å
275D36.3Very low43.1Very low78 Ų78103.9 Ų103.942%0.41755%0.552SS.*  trans-84.6108.7165.8-109-9000107.6R271 E272 S277R271-D275 HydrophobicContact CB-CB 3.96Å; R271-D275 WeakPolarHBondContact CD-OD2 3.28Å; R271-D275 IonicContact CZ-OD2 3.04Å; R271-D275 IonicContact NE-OD2 2.66Å; R271-D275 IonicContact NH1-OD2 3.61Å; R271-D275 PolarHBondContact NH1-OD2 2.71Å; E272-D275 PolarHBondContact O-N 3.13Å; D275-S277 PolarHBondContact O-N 2.76Å
276S35.3Very low41.5Very low113 Ų113102.3 Ų102.379%0.7955%0.548SS*.  trans-70.658.9168.654.10000109.8N274N274-S276 PolarHBondContact O-N 2.64Å
277S38.6Very low39.8Very low31 Ų31106.1 Ų106.122%0.21757%0.568CS.*  trans-108.5106.9-168.568.10000109.2D275 E279D275-S277 PolarHBondContact O-N 2.76Å; S277-E279 PolarHBondContact O-N 3.35Å
278M43.5Very low38.4Very low52 Ų52109 Ų10926%0.25658%0.581SS.*SBendtrans49.4-10.9164.1-61.2-155.1-55.700121C166 L181 W263 H280 C281C166-M278 HydrophobicContact CB-CE 3.87Å; C166-M278 HydrophobicContact CB-SD 4.46Å; C166-M278 WeakPolarHBondContact SG-CE 3.47Å; L181-M278 HydrophobicContact CD1-CG 4.28Å; L181-M278 HydrophobicContact CD1-SD 3.19Å; L181-M278 WeakPolarHBondContact CD1-SD 3.49Å; W263-M278 HydrophobicContact CH2-CE 3.49Å; W263-M278 VanDerWaalsContact CH2-CE 3.49Å; W263-M278 HydrophobicContact CH2-SD 3.69Å; W263-M278 HydrophobicContact CZ2-CE 4.33Å; W263-M278 HydrophobicContact CZ3-CE 3.94Å; W263-M278 HydrophobicContact CZ3-SD 4.38Å; M278-H280 PolarHBondContact O-N 3.14Å; M278-C281 WeakPolarHBondContact O-CB 3.35Å; M278-C281 PolarHBondContact O-N 3.44Å
279E38.3Very low37.6Very low127 Ų127106.8 Ų106.859%0.59357%0.57SS**G310 helixtrans-57.6-31.7171.8-71.6-167.6160.700109.9S277 C281 L282 A283S277-E279 PolarHBondContact O-N 3.35Å; E279-C281 PolarHBondContact O-N 3.09Å; E279-C281 VanDerWaalsContact O-N 3.13Å; E279-L282 CarbonylContact O-C 3.29Å; E279-L282 VanDerWaalsContact O-C 3.29Å; E279-L282 WeakPolarHBondContact O-CA 3.01Å; E279-L282 PolarHBondContact O-N 3.46Å; E279-A283 WeakPolarHBondContact O-CB 3.47Å; E279-A283 PolarHBondContact O-N 2.95Å
280H39.9Very low37.5Very low143 Ų14399.9 Ų99.966%0.66255%0.553SS**G310 helixtrans-66-10.6172.9-74.5-59.4000115.4M278M278-H280 PolarHBondContact O-N 3.14Å
281C39.8Very low37.3Very low20 Ų20102.7 Ų102.714%0.13556%0.562CS.*G310 helixtrans-94.4-7.8169-65.30000112.4N250 M278 E279N250-C281 PolarHBondContact OD1-O 2.76Å; M278-C281 WeakPolarHBondContact O-CB 3.35Å; M278-C281 PolarHBondContact O-N 3.44Å; E279-C281 PolarHBondContact O-N 3.09Å; E279-C281 VanDerWaalsContact O-N 3.13Å
282L36.9Very low37.2Very low69 Ų6999.6 Ų99.636%0.36157%0.565SS.*THydrogen-bonded Turntrans-129.75.1179.8-65.4176.5000115.4F245 N250 W263 V267 E279F245-L282 HydrophobicContact CE1-CD2 4.45Å; N250-L282 PolarHBondContact ND2-O 3.25Å; N250-L282 WeakPolarHBondContact OD1-CA 3.47Å; N250-L282 PolarHBondContact OD1-N 2.93Å; W263-L282 HydrophobicContact CZ2-CD1 4.34Å; V267-L282 HydrophobicContact CB-CD1 4.26Å; V267-L282 HydrophobicContact CG1-CD1 3.54Å; V267-L282 HydrophobicContact CG2-CD1 3.58Å; E279-L282 CarbonylContact O-C 3.29Å; E279-L282 VanDerWaalsContact O-C 3.29Å; E279-L282 WeakPolarHBondContact O-CA 3.01Å; E279-L282 PolarHBondContact O-N 3.46Å
283A36.3Very low37.7Very low102 Ų10293.5 Ų93.584%0.84355%0.545SS*.  trans-113.60168.800000114.6N250 E279N250-A283 WeakPolarHBondContact CB-O 3.24Å; N250-A283 VanDerWaalsContact CB-OXT 3.24Å; N250-A283 WeakPolarHBondContact CB-OXT 3.41Å; N250-A283 WeakPolarHBondContact ND2-CA 3.43Å; N250-A283 PolarHBondContact ND2-N 3.29Å; N250-A283 PolarHBondContact ND2-O 2.8Å; N250-A283 PolarHBondContact ND2-OXT 2.8Å; N250-A283 PolarHBondContact OD1-N 3.03Å; N250-A283 PolarHBondContact OD1-OXT 3.05Å; E279-A283 WeakPolarHBondContact O-CB 3.47Å; E279-A283 PolarHBondContact O-N 2.95Å

Retrieved 283 of 283 residues in 137.7 ms (Link to these results)

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