A0A077ZRA8_TRITR Loading...

PAZ and DUF1785 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZRA8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 433 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
1M89.7Confident92.7Very high159 Ų15967.9 Ų67.978%0.78333%0.329SS*.  0152.80-60-178.6-53.200107.8E387 V388M1-E387 WeakPolarHBondContact O-CA 3.48Å; M1-V388 PolarHBondContact N-O 2.81Å; M1-V388 PolarHBondContact O-N 2.82Å
2V92.4Very high91.2Very high77 Ų7764.7 Ų64.747%0.46732%0.321SS..BIsolated β-bridgetrans-103.2126175.9-176.10000108.3L356 F385 E387V2-L356 HydrophobicContact CB-CD1 4.22Å; V2-L356 HydrophobicContact CG1-CD1 4.17Å; V2-F385 HydrophobicContact CG1-CB 3.55Å; V2-F385 HydrophobicContact CG1-CD2 4.16Å; V2-F385 HydrophobicContact CG1-CG 4.26Å; V2-E387 HydrophobicContact CG2-CG 4.41Å
3S94.4Very high89.6Confident27 Ų2771 Ų7119%0.18937%0.366CS..  trans-85176.3173.572.50000110.9F5 F385 V386S3-F5 VanDerWaalsContact C-N 3.35Å; S3-F5 PolarHBondContact OG-N 2.8Å; S3-F385 WeakPolarHBondContact O-CB 3.26Å; S3-F385 WeakPolarHBondContact O-CG 3.21Å; S3-V386 PolarHBondContact N-O 2.74Å; S3-V386 PolarHBondContact OG-O 3.45Å
4N96.2Very high89Confident37 Ų3769.5 Ų69.520%0.19838%0.377CS..SBendtrans-10120.6167.372.2-39.2000112.1N194 I195 L356 F385N4-N194 PolarHBondContact ND2-OD1 3.03Å; N4-I195 WeakPolarHBondContact CB-O 3.37Å; N4-I195 PolarHBondContact ND2-O 3.39Å; N4-I195 PolarHBondContact O-N 3.47Å; N4-L356 HydrophobicContact CB-CD2 3.84Å; N4-F385 HydrophobicContact CB-CE1 4.37Å
5F96.8Very high88.9Confident49 Ų4969.1 Ų69.122%0.21538%0.377CS..EExtended strand (participates in β ladder)trans-92.1141.8172.9-76-92.6000110.4S3 R184 M192 V193 N194 F385 V386S3-F5 VanDerWaalsContact C-N 3.35Å; S3-F5 PolarHBondContact OG-N 2.8Å; F5-R184 HydrophobicContact CE1-CB 3.91Å; F5-R184 HydrophobicContact CE1-CG 3.89Å; F5-R184 HydrophobicContact CZ-CG 4.42Å; F5-M192 HydrophobicContact CB-CB 4.41Å; F5-M192 HydrophobicContact CB-CE 4.42Å; F5-M192 HydrophobicContact CB-SD 4.23Å; F5-M192 HydrophobicContact CD1-CB 3.73Å; F5-M192 HydrophobicContact CD1-CE 3.79Å; F5-M192 HydrophobicContact CD1-SD 4.46Å; F5-M192 HydrophobicContact CE1-CE 4.17Å; F5-M192 HydrophobicContact CG-CB 4.49Å; F5-M192 HydrophobicContact CG-CE 4.06Å; F5-M192 HydrophobicContact CG-SD 4.5Å; F5-V193 WeakPolarHBondContact CA-O 3.42Å; F5-N194 HydrophobicContact CD1-CB 4.02Å; F5-N194 HydrophobicContact CE1-CB 3.56Å; F5-N194 HydrophobicContact CZ-CB 3.87Å; F5-F385 CarbonylContact O-C 3.56Å; F5-F385 VanDerWaalsContact O-CA 3.3Å; F5-F385 WeakPolarHBondContact O-CA 3.22Å; F5-V386 HydrophobicContact CB-CG2 4.48Å; F5-V386 PolarHBondContact O-N 3.42Å
6V95.7Very high89.1Confident0 Ų065.3 Ų65.30%036%0.356CS..EExtended strand (participates in β ladder)trans-117.1145.3167-63.30000108.7M192 V193 I195 M360 M363 I381 A382 F385V6-M192 CarbonylContact O-C 3.53Å; V6-M192 WeakPolarHBondContact O-CA 3.48Å; V6-V193 HydrophobicContact CG2-CB 3.94Å; V6-V193 PolarHBondContact N-O 3.39Å; V6-V193 PolarHBondContact O-N 3.1Å; V6-I195 HydrophobicContact CG2-CG1 3.72Å; V6-M360 HydrophobicContact CG1-CE 4.29Å; V6-M363 HydrophobicContact CG1-SD 4.46Å; V6-I381 HydrophobicContact CB-CG1 4.23Å; V6-I381 HydrophobicContact CG2-CD1 3.44Å; V6-I381 VanDerWaalsContact CG2-CD1 3.44Å; V6-I381 HydrophobicContact CG2-CG1 3.37Å; V6-A382 HydrophobicContact CB-CB 4.3Å; V6-F385 HydrophobicContact CG1-CD1 3.65Å; V6-F385 HydrophobicContact CG1-CE1 3.94Å
7E94.4Very high89.4Confident71 Ų7166.5 Ų66.533%0.33236%0.359SS..EExtended strand (participates in β ladder)trans-72.4135.9178.3-171170.6-154.200110.8K9 A382E7-K9 PolarHBondContact O-N 3.4Å; E7-A382 HydrophobicContact CB-CB 4.1Å; E7-A382 WeakPolarHBondContact O-CB 3.47Å; E7-A382 PolarHBondContact O-N 3.09Å
8L94.7Very high89.8Confident8 Ų862.8 Ų62.84%0.04234%0.339CS..EExtended strand (participates in β ladder)trans-84.3108.5168.4-173.876.9000107.8V132 P191 V193 L374 L379 D380L8-V132 HydrophobicContact CD1-CG1 4.37Å; L8-V132 HydrophobicContact CD2-CG1 3.69Å; L8-V132 HydrophobicContact CD2-CG2 3.93Å; L8-P191 HydrophobicContact CB-CB 4.01Å; L8-P191 HydrophobicContact CB-CG 4.18Å; L8-P191 WeakPolarHBondContact CB-O 3.4Å; L8-P191 HydrophobicContact CD2-CB 4.01Å; L8-P191 HydrophobicContact CD2-CG 4.41Å; L8-P191 PolarHBondContact N-O 3.31Å; L8-V193 HydrophobicContact CB-CG2 4.25Å; L8-V193 HydrophobicContact CD1-CG2 4.1Å; L8-L374 HydrophobicContact CD1-CD2 4.4Å; L8-L379 HydrophobicContact CD1-CB 4.44Å; L8-L379 HydrophobicContact CD2-CD1 4.45Å; L8-L379 HydrophobicContact CD2-CD2 4.16Å; L8-L379 HydrophobicContact CG-CD2 4.43Å; L8-D380 CarbonylContact C-O 3.5Å
9K91.2Very high90.2Very high98 Ų9860.3 Ų60.343%0.42633%0.326SS..EExtended strand (participates in β ladder)trans-83.6143.8178.2-63.5-175.7179.4-174.60109.8E7 L379 D380E7-K9 PolarHBondContact O-N 3.4Å; K9-L379 CarbonylContact O-C 3.52Å; K9-L379 WeakPolarHBondContact O-CA 3.33Å; K9-D380 HydrophobicContact CB-CB 4.2Å; K9-D380 PolarHBondContact N-O 3.37Å; K9-D380 PolarHBondContact O-N 2.87Å
10K88.5Confident90.6Very high100 Ų10059.4 Ų59.444%0.43532%0.32SS..EExtended strand (participates in β ladder)trans-114.7125.6171.3170.5-178.4164.7-169.30108.1A12 G14 I16K10-A12 WeakPolarHBondContact CE-O 3.4Å; K10-A12 HydrophobicContact CG-CB 4.48Å; K10-G14 WeakPolarHBondContact CE-O 3.35Å; K10-G14 PolarHBondContact NZ-O 3.31Å; K10-I16 HydrophobicContact CD-CD1 4.04Å; K10-I16 HydrophobicContact CD-CG1 4.38Å; K10-I16 HydrophobicContact CG-CD1 3.89Å
11F85.5Confident90.9Very high121 Ų12156.7 Ų56.753%0.53131%0.305SS..  trans-110-10.2174.663-98.4000112.9T13 K375 G378 L379 D380F11-T13 PolarHBondContact O-N 3.46Å; F11-K375 VanDerWaalsContact CZ-O 3.27Å; F11-K375 WeakPolarHBondContact CZ-O 3.48Å; F11-G378 VanDerWaalsContact CE1-C 3.4Å; F11-G378 PolarHBondContact N-O 2.89Å; F11-G378 VanDerWaalsContact N-O 3.16Å; F11-L379 VanDerWaalsContact CE1-O 3.3Å; F11-L379 WeakPolarHBondContact CE1-O 3.48Å; F11-D380 HydrophobicContact CD1-CB 4.08Å; F11-D380 HydrophobicContact CE1-CB 4.29Å
12A75Confident91.3Very high29 Ų2952.2 Ų52.224%0.2428%0.282CS..SBendtrans-63.5130.8173.100000111.2K10 G14 I16 G378K10-A12 WeakPolarHBondContact CE-O 3.4Å; K10-A12 HydrophobicContact CG-CB 4.48Å; A12-G14 PolarHBondContact O-N 2.89Å; A12-I16 HydrophobicContact CB-CD1 4.06Å; A12-I16 HydrophobicContact CB-CG1 3.83Å; A12-G378 PolarHBondContact N-O 3.15Å
13T70.3Confident91.6Very high147 Ų14748.7 Ų48.790%0.90226%0.26SS*.SBendtrans-70.3117.5170.149.60000109.2F11F11-T13 PolarHBondContact O-N 3.46Å
14G81.9Confident91.8Very high50 Ų5051.9 Ų51.952%0.51528%0.275SS..SBendtrans91177.6179.900000114.6K10 A12K10-G14 WeakPolarHBondContact CE-O 3.35Å; K10-G14 PolarHBondContact NZ-O 3.31Å; A12-G14 PolarHBondContact O-N 2.89Å
15V86.9Confident91.9Very high63 Ų6350.3 Ų50.338%0.38227%0.267SS..  trans-66132.3-177.8174.60000110.3E17 K108 I110V15-E17 PolarHBondContact O-N 2.91Å; V15-K108 HydrophobicContact CG1-CB 4.08Å; V15-K108 HydrophobicContact CG1-CD 4.43Å; V15-K108 HydrophobicContact CG1-CG 4.25Å; V15-I110 HydrophobicContact CG1-CD1 3.81Å; V15-I110 HydrophobicContact CG1-CG1 3.78Å; V15-I110 HydrophobicContact CG2-CD1 4.09Å; V15-I110 HydrophobicContact CG2-CG1 4.36Å
16I91.8Very high91.9Very high9 Ų949.3 Ų49.35%0.04627%0.271CS..  trans-82.5115.4169.7-58.4167.4000106.9K10 A12 V18 L109 F377 L379K10-I16 HydrophobicContact CD-CD1 4.04Å; K10-I16 HydrophobicContact CD-CG1 4.38Å; K10-I16 HydrophobicContact CG-CD1 3.89Å; A12-I16 HydrophobicContact CB-CD1 4.06Å; A12-I16 HydrophobicContact CB-CG1 3.83Å; I16-V18 HydrophobicContact CG2-CG1 4.24Å; I16-L109 HydrophobicContact CB-CB 4.17Å; I16-L109 HydrophobicContact CB-CD1 4.15Å; I16-L109 HydrophobicContact CB-CG 4.32Å; I16-L109 HydrophobicContact CG2-CD1 3.78Å; I16-L109 HydrophobicContact CG2-CG 4.17Å; I16-L109 PolarHBondContact O-N 2.81Å; I16-F377 WeakPolarHBondContact CD1-O 3.49Å; I16-L379 HydrophobicContact CD1-CD2 3.7Å; I16-L379 HydrophobicContact CD1-CG 4.3Å
17E94.4Very high91.8Very high85 Ų8550.5 Ų50.540%0.39728%0.279SS..EExtended strand (participates in β ladder)trans-111.8129.5170.5-175.7165.1-169.500108.4V15 S106 V107 K108V15-E17 PolarHBondContact O-N 2.91Å; E17-S106 VanDerWaalsContact OE1-CB 3.24Å; E17-S106 WeakPolarHBondContact OE1-CB 3.32Å; E17-S106 PolarHBondContact OE1-OG 3.2Å; E17-V107 WeakPolarHBondContact CA-O 3.36Å; E17-K108 HydrophobicContact CB-CG 4.09Å; E17-K108 VanDerWaalsContact CD-CE 3.49Å; E17-K108 HydrophobicContact CG-CG 3.87Å; E17-K108 WeakPolarHBondContact OE2-CE 3.42Å
18V96.7Very high91.8Very high0 Ų054.9 Ų54.90%031%0.305CS..EExtended strand (participates in β ladder)trans-110.2145.5176.5-580000109.5I16 F67 S68 S106 V107 V131 F377I16-V18 HydrophobicContact CG2-CG1 4.24Å; V18-F67 HydrophobicContact CG2-CB 4.36Å; V18-F67 HydrophobicContact CG2-CD1 4.02Å; V18-F67 HydrophobicContact CG2-CG 4.49Å; V18-S68 CarbonylContact C-O 3.6Å; V18-S68 WeakPolarHBondContact CA-O 3.42Å; V18-S68 WeakPolarHBondContact CB-O 3.46Å; V18-S106 CarbonylContact O-C 3.53Å; V18-S106 WeakPolarHBondContact O-CA 3.07Å; V18-S106 WeakPolarHBondContact O-CB 3.26Å; V18-V107 HydrophobicContact CG2-CB 3.88Å; V18-V107 WeakPolarHBondContact CG2-O 3.46Å; V18-V107 PolarHBondContact N-O 3.5Å; V18-V107 PolarHBondContact O-N 3.42Å; V18-V131 HydrophobicContact CG1-CG1 4.33Å; V18-V131 HydrophobicContact CG2-CG1 3.84Å; V18-V131 HydrophobicContact CG2-CG2 3.93Å; V18-F377 HydrophobicContact CB-CE1 4.48Å; V18-F377 HydrophobicContact CG1-CD1 3.77Å; V18-F377 HydrophobicContact CG1-CE1 3.7Å
19V97.1Very high91.4Very high15 Ų1561.9 Ų61.99%0.09134%0.335CS..EExtended strand (participates in β ladder)trans-87.3131.9173.6-169.50000108.7Y21 F67 S68 P71 K103V19-Y21 HydrophobicContact CB-CE2 3.72Å; V19-Y21 HydrophobicContact CG1-CD2 4.38Å; V19-Y21 HydrophobicContact CG1-CE1 4.38Å; V19-Y21 HydrophobicContact CG1-CE2 3.54Å; V19-Y21 WeakPolarHBondContact CG1-OH 3.27Å; V19-F67 CarbonylContact O-C 3.57Å; V19-F67 VanDerWaalsContact O-CA 3.29Å; V19-F67 WeakPolarHBondContact O-CA 3.26Å; V19-S68 PolarHBondContact N-O 3.42Å; V19-S68 PolarHBondContact O-N 3.05Å; V19-P71 HydrophobicContact CG2-CB 4.2Å; V19-P71 HydrophobicContact CG2-CG 3.87Å; V19-K103 HydrophobicContact CG1-CD 4.24Å; V19-K103 HydrophobicContact CG1-CG 3.94Å
20Q97.8Very high91.4Very high43 Ų4358.5 Ų58.520%0.20132%0.322CS..EExtended strand (participates in β ladder)trans-99.7138.6178.3-173.1-178-4900110.4L65 F67 S104 G105Q20-L65 HydrophobicContact CG-CD2 4.45Å; Q20-F67 HydrophobicContact CB-CD1 4.05Å; Q20-F67 HydrophobicContact CB-CE1 3.97Å; Q20-F67 HydrophobicContact CG-CD1 4.03Å; Q20-F67 HydrophobicContact CG-CE1 3.57Å; Q20-F67 HydrophobicContact CG-CZ 4.42Å; Q20-S104 WeakPolarHBondContact CG-OG 3.29Å; Q20-S104 PolarHBondContact NE2-OG 3.2Å; Q20-S104 PolarHBondContact O-N 3.28Å; Q20-S104 PolarHBondContact O-OG 2.97Å; Q20-G105 PolarHBondContact N-O 3.04Å; Q20-G105 PolarHBondContact O-N 3.15Å
21Y98.3Very high91.6Very high3 Ų362.9 Ų62.91%0.01234%0.341CS..EExtended strand (participates in β ladder)trans-128.3146.4175.5-56.2-99.5000110.2V19 L66 S68 P71 L72 I74 I101 R102 K103V19-Y21 HydrophobicContact CB-CE2 3.72Å; V19-Y21 HydrophobicContact CG1-CD2 4.38Å; V19-Y21 HydrophobicContact CG1-CE1 4.38Å; V19-Y21 HydrophobicContact CG1-CE2 3.54Å; V19-Y21 WeakPolarHBondContact CG1-OH 3.27Å; Y21-L66 HydrophobicContact CD2-CD2 4.34Å; Y21-L66 HydrophobicContact CD2-CG 4.27Å; Y21-L66 HydrophobicContact CG-CD2 4.34Å; Y21-L66 PolarHBondContact N-O 3.05Å; Y21-L66 PolarHBondContact O-N 3.38Å; Y21-S68 VanDerWaalsContact CE2-OG 3.28Å; Y21-S68 WeakPolarHBondContact CE2-OG 2.98Å; Y21-P71 WeakPolarHBondContact OH-CA 3.37Å; Y21-L72 HydrophobicContact CD1-CD1 4.43Å; Y21-L72 HydrophobicContact CD2-CD1 4.44Å; Y21-L72 HydrophobicContact CE1-CB 4.17Å; Y21-L72 HydrophobicContact CE1-CD1 4.15Å; Y21-L72 HydrophobicContact CE1-CG 4.35Å; Y21-L72 HydrophobicContact CE2-CD1 4.15Å; Y21-L72 HydrophobicContact CE2-CG 4.16Å; Y21-L72 PolarHBondContact OH-N 3.27Å; Y21-I74 HydrophobicContact CD1-CD1 4.28Å; Y21-I74 HydrophobicContact CE1-CD1 4.07Å; Y21-I101 HydrophobicContact CD1-CG2 3.9Å; Y21-I101 HydrophobicContact CG-CG2 4.06Å; Y21-R102 CarbonylContact C-O 3.55Å; Y21-R102 WeakPolarHBondContact CA-O 3.49Å; Y21-R102 WeakPolarHBondContact CB-O 3.46Å; Y21-K103 HydrophobicContact CD1-CB 4.03Å; Y21-K103 HydrophobicContact CE1-CB 3.92Å; Y21-K103 HydrophobicContact CE1-CG 4.28Å
22H98.1Very high92Very high65 Ų6558 Ų5830%0.30132%0.321SS..EExtended strand (participates in β ladder)trans-90.9130164.1-173.564.4000109.4A64 I101 R102H22-A64 WeakPolarHBondContact CA-O 2.86Å; H22-A64 PolarHBondContact ND1-O 2.72Å; H22-I101 WeakPolarHBondContact O-CA 3.25Å; H22-R102 HydrophobicContact CB-CG 3.89Å; H22-R102 PolarHBondContact N-O 3.18Å; H22-R102 PolarHBondContact O-N 3.48Å
23V98.4Very high92.9Very high2 Ų259.4 Ų59.41%0.01233%0.326CS..EExtended strand (participates in β ladder)trans-113.9127.5179.1-176.60000109.2I25 Y60 A64 L66 V99 S100 I101V23-I25 HydrophobicContact CG1-CD1 4.08Å; V23-I25 HydrophobicContact CG1-CG1 3.8Å; V23-Y60 HydrophobicContact CB-CE2 3.9Å; V23-Y60 HydrophobicContact CG1-CE2 4.04Å; V23-Y60 HydrophobicContact CG2-CD2 4.24Å; V23-Y60 HydrophobicContact CG2-CE2 4.09Å; V23-A64 PolarHBondContact N-O 3.34Å; V23-A64 WeakPolarHBondContact O-CA 3.39Å; V23-L66 HydrophobicContact CG2-CB 3.39Å; V23-L66 HydrophobicContact CG2-CD2 4Å; V23-L66 HydrophobicContact CG2-CG 4.34Å; V23-V99 HydrophobicContact CG1-CG1 4.47Å; V23-S100 CarbonylContact C-O 3.47Å; V23-S100 WeakPolarHBondContact CA-O 3.08Å; V23-I101 HydrophobicContact CG1-CG1 4.26Å; V23-I101 HydrophobicContact CG2-CG1 4.22Å; V23-I101 HydrophobicContact CG2-CG2 4.41Å
24D98Very high93.9Very high94 Ų9456.7 Ų56.750%0.50330%0.3SS..EExtended strand (participates in β ladder)trans-112.7129.2167-168.46.2000109.7V99 S100D24-V99 CarbonylContact O-C 3.55Å; D24-V99 VanDerWaalsContact O-CA 3.28Å; D24-V99 WeakPolarHBondContact O-CA 3.46Å; D24-S100 PolarHBondContact N-O 3.48Å; D24-S100 PolarHBondContact O-N 3.23Å
25I98Very high94.3Very high4 Ų458.4 Ų58.42%0.02130%0.297CS..EExtended strand (participates in β ladder)trans-131.3105.2176.6-56.9-177.4000106.8V23 L32 K37 I40 F41 Y60 V97 K98 V99V23-I25 HydrophobicContact CG1-CD1 4.08Å; V23-I25 HydrophobicContact CG1-CG1 3.8Å; I25-L32 HydrophobicContact CG2-CD1 3.74Å; I25-K37 HydrophobicContact CB-CG 4.19Å; I25-K37 HydrophobicContact CD1-CB 4.23Å; I25-K37 HydrophobicContact CG2-CG 4.36Å; I25-I40 HydrophobicContact CD1-CG2 4.41Å; I25-I40 HydrophobicContact CG2-CB 4.37Å; I25-I40 HydrophobicContact CG2-CD1 4.18Å; I25-I40 HydrophobicContact CG2-CG2 3.84Å; I25-F41 HydrophobicContact CD1-CB 4.14Å; I25-Y60 HydrophobicContact CD1-CE1 4.21Å; I25-V97 HydrophobicContact CG2-CG1 3.48Å; I25-V97 VanDerWaalsContact CG2-CG1 3.48Å; I25-K98 WeakPolarHBondContact CA-O 3.32Å; I25-V99 HydrophobicContact CG1-CG1 3.96Å; I25-V99 HydrophobicContact CG1-CG2 4.17Å; I25-V99 HydrophobicContact CG2-CG2 4.26Å
26G96.5Very high94.7Very high29 Ų2955.9 Ų55.930%0.29928%0.281SS..EExtended strand (participates in β ladder)trans-126.5153-172.200000113.5V97 K98G26-V97 WeakPolarHBondContact O-CA 3.16Å; G26-V97 WeakPolarHBondContact O-CG1 3.49Å; G26-K98 PolarHBondContact N-O 3.49Å; G26-K98 PolarHBondContact O-N 3.24Å
27S95Very high94.9Very high25 Ų2556.9 Ų56.918%0.17529%0.285CS..  trans-145.2137169.9-172.90000110.1K29 E96S27-K29 PolarHBondContact O-N 2.84Å; S27-K29 PolarHBondContact OG-N 2.64Å; S27-E96 WeakPolarHBondContact CB-O 3.14Å; S27-E96 PolarHBondContact OG-O 2.91Å
28D92.5Very high94.9Very high163 Ų16353.8 Ų53.887%0.87227%0.27SS*.SBendtrans-74.5-18.3179.1-55.8-32.3000112.5
29K88.2Confident94.8Very high154 Ų15455.8 Ų55.867%0.6728%0.284SS*.SBendtrans-94.3-34.9-172.3-65.7-178.1-178.3169.50113.6S27 I95S27-K29 PolarHBondContact O-N 2.84Å; S27-K29 PolarHBondContact OG-N 2.64Å; K29-I95 HydrophobicContact CB-CG2 4.26Å; K29-I95 HydrophobicContact CD-CG2 4.41Å
30V89.6Confident94.8Very high28 Ų2855.1 Ų55.117%0.1728%0.28CS..SBendtrans-145128.2-170.9-179.10000110.2L32 R90 I95V30-L32 PolarHBondContact O-N 3.49Å; V30-R90 HydrophobicContact CG1-CB 4.01Å; V30-I95 HydrophobicContact CB-CD1 4.03Å; V30-I95 HydrophobicContact CG2-CD1 4.35Å; V30-I95 HydrophobicContact CG2-CG2 4.13Å
31K92.8Very high94.8Very high191 Ų19153.1 Ų53.183%0.8327%0.27SS*.PPolyproline II helixtrans-63.4119168.6-176.1173.6-176.71720109.9R90K31-R90 PolarHBondContact O-NH1 3.16Å
32L95Very high94.7Very high19 Ų1953 Ų5310%0.09927%0.27CS..PPolyproline II helixtrans-81.2143179.3-57.8178.3000111.1I25 V30 D36 K37 I40 V88 I95 V97I25-L32 HydrophobicContact CG2-CD1 3.74Å; V30-L32 PolarHBondContact O-N 3.49Å; L32-D36 HydrophobicContact CB-CB 4.17Å; L32-D36 HydrophobicContact CD2-CB 4.06Å; L32-K37 HydrophobicContact CB-CG 4.14Å; L32-I40 HydrophobicContact CD1-CD1 3.85Å; L32-I40 HydrophobicContact CD2-CD1 4.14Å; L32-V88 HydrophobicContact CD2-CG1 4.13Å; L32-I95 HydrophobicContact CD2-CD1 3.96Å; L32-V97 HydrophobicContact CD1-CG1 4.27Å; L32-V97 HydrophobicContact CD1-CG2 4.43Å
33T92.6Very high94.6Very high58 Ų5854.1 Ų54.136%0.35627%0.274SS..PPolyproline II helixtrans-93.4167.1166.956.90000110.4D35 D36 K37 R90T33-D35 PolarHBondContact O-N 2.75Å; T33-D35 VanDerWaalsContact O-N 3.15Å; T33-D36 PolarHBondContact N-OD2 3.1Å; T33-D36 WeakPolarHBondContact O-CB 3.3Å; T33-D36 PolarHBondContact O-N 2.76Å; T33-D36 PolarHBondContact OG1-OD2 2.77Å; T33-K37 PolarHBondContact O-N 2.78Å; T33-R90 VanDerWaalsContact N-NH1 3.18Å; T33-R90 PolarHBondContact OG1-NH2 3.42Å
34R92.7Very high94.6Very high91 Ų9154 Ų5434%0.34327%0.273SS..Hα-helixtrans-45.5-44.5171.3-157-178.1-175.997.9-0.8113.3K37 R38 D61 G62R34-K37 PolarHBondContact O-N 2.73Å; R34-R38 VanDerWaalsContact NE-NH2 3.14Å; R34-R38 WeakPolarHBondContact O-CG 3.45Å; R34-R38 PolarHBondContact O-N 2.94Å; R34-D61 IonicContact CZ-OD2 3.28Å; R34-D61 PolarHBondContact NE-O 3.34Å; R34-D61 IonicContact NH1-OD2 2.67Å; R34-D61 VanDerWaalsContact NH2-C 3.28Å; R34-D61 PolarHBondContact NH2-O 3.15Å; R34-D61 IonicContact NH2-OD2 3.1Å; R34-D61 PolarHBondContact NH2-OD2 3.41Å; R34-G62 VanDerWaalsContact CG-O 3.24Å; R34-G62 WeakPolarHBondContact CG-O 3.46Å
35D90.9Very high94.6Very high86 Ų8649.6 Ų49.646%0.4625%0.25SC..Hα-helixtrans-68.8-33.6178.4-66.2-22.4000114T33 R38 S39T33-D35 PolarHBondContact O-N 2.75Å; T33-D35 VanDerWaalsContact O-N 3.15Å; D35-R38 IonicContact OD1-NH1 2.78Å; D35-S39 WeakPolarHBondContact O-CB 3.33Å; D35-S39 PolarHBondContact O-N 3.41Å
36D93.7Very high94.5Very high10 Ų1055.8 Ų55.85%0.05328%0.276CS..Hα-helixtrans-66.6-47.7173.5-59.8-44.2000109.1L32 T33 R38 S39 I40 V88 R90L32-D36 HydrophobicContact CB-CB 4.17Å; L32-D36 HydrophobicContact CD2-CB 4.06Å; T33-D36 PolarHBondContact N-OD2 3.1Å; T33-D36 WeakPolarHBondContact O-CB 3.3Å; T33-D36 PolarHBondContact O-N 2.76Å; T33-D36 PolarHBondContact OG1-OD2 2.77Å; D36-R38 VanDerWaalsContact C-N 3.34Å; D36-R38 PolarHBondContact O-N 2.7Å; D36-S39 WeakPolarHBondContact O-CB 3.43Å; D36-S39 PolarHBondContact O-N 3.26Å; D36-S39 VanDerWaalsContact O-N 3.14Å; D36-I40 HydrophobicContact CB-CD1 4.29Å; D36-I40 WeakPolarHBondContact O-CB 3.37Å; D36-I40 WeakPolarHBondContact O-CD1 3.28Å; D36-I40 WeakPolarHBondContact O-CG1 3.28Å; D36-I40 PolarHBondContact O-N 2.84Å; D36-V88 HydrophobicContact CB-CG1 4.48Å; D36-R90 IonicContact OD1-NH2 3.51Å; D36-R90 IonicContact OD2-CZ 3.21Å; D36-R90 IonicContact OD2-NH1 3.59Å; D36-R90 PolarHBondContact OD2-NH1 3.48Å; D36-R90 IonicContact OD2-NH2 2.78Å; D36-R90 PolarHBondContact OD2-NH2 2.72Å
37K96.5Very high94.4Very high29 Ų2961.1 Ų61.113%0.12629%0.291CS..Hα-helixtrans-56.5-46.1178.4-70.5-174.4172.1-171.20111.5I25 L32 T33 R34 I40 F41 Y60 G62 E63I25-K37 HydrophobicContact CB-CG 4.19Å; I25-K37 HydrophobicContact CD1-CB 4.23Å; I25-K37 HydrophobicContact CG2-CG 4.36Å; L32-K37 HydrophobicContact CB-CG 4.14Å; T33-K37 PolarHBondContact O-N 2.78Å; R34-K37 PolarHBondContact O-N 2.73Å; K37-I40 PolarHBondContact O-N 2.99Å; K37-F41 VanDerWaalsContact O-CB 3.32Å; K37-F41 WeakPolarHBondContact O-CB 3.49Å; K37-F41 PolarHBondContact O-N 2.62Å; K37-Y60 HydrophobicContact CB-CE1 4.41Å; K37-G62 VanDerWaalsContact CB-O 3.3Å; K37-G62 WeakPolarHBondContact CB-O 3.39Å; K37-E63 IonicContact NZ-OE1 2.77Å; K37-E63 PolarHBondContact NZ-OE1 2.74Å
38R95.5Very high94.5Very high21 Ų2161.7 Ų61.78%0.07929%0.292CS..Hα-helixtrans-58.4-49.7173.3-73.7175.6177.5158.2-8.9112.3R34 D35 D36 I40 F41 W42 D61 G62R34-R38 VanDerWaalsContact NE-NH2 3.14Å; R34-R38 WeakPolarHBondContact O-CG 3.45Å; R34-R38 PolarHBondContact O-N 2.94Å; D35-R38 IonicContact OD1-NH1 2.78Å; D36-R38 VanDerWaalsContact C-N 3.34Å; D36-R38 PolarHBondContact O-N 2.7Å; R38-I40 VanDerWaalsContact C-N 3.3Å; R38-I40 PolarHBondContact O-N 2.9Å; R38-F41 PolarHBondContact O-N 2.8Å; R38-W42 PolarHBondContact O-N 2.83Å; R38-D61 PolarHBondContact NE-O 3.3Å; R38-D61 PolarHBondContact NH2-O 3.36Å; R38-G62 VanDerWaalsContact CG-CA 3.44Å
39S94Very high94.6Very high41 Ų4162.5 Ų62.529%0.28728%0.283SS..Hα-helixtrans-60.2-42179.4-1720000111.8D35 D36 K43D35-S39 WeakPolarHBondContact O-CB 3.33Å; D35-S39 PolarHBondContact O-N 3.41Å; D36-S39 WeakPolarHBondContact O-CB 3.43Å; D36-S39 PolarHBondContact O-N 3.26Å; D36-S39 VanDerWaalsContact O-N 3.14Å; S39-K43 VanDerWaalsContact O-CG 3.3Å; S39-K43 WeakPolarHBondContact O-CG 3.23Å; S39-K43 PolarHBondContact O-N 2.66Å; S39-K43 VanDerWaalsContact O-N 3.1Å
40I96.7Very high94.8Very high2 Ų264.5 Ų64.51%0.0129%0.292CS..Hα-helixtrans-65.4-48.3177.8-69.2163.1000110.5I25 L32 D36 K37 R38 W42 K43 L44 M84 V86 V88 V97 V99I25-I40 HydrophobicContact CD1-CG2 4.41Å; I25-I40 HydrophobicContact CG2-CB 4.37Å; I25-I40 HydrophobicContact CG2-CD1 4.18Å; I25-I40 HydrophobicContact CG2-CG2 3.84Å; L32-I40 HydrophobicContact CD1-CD1 3.85Å; L32-I40 HydrophobicContact CD2-CD1 4.14Å; D36-I40 HydrophobicContact CB-CD1 4.29Å; D36-I40 WeakPolarHBondContact O-CB 3.37Å; D36-I40 WeakPolarHBondContact O-CD1 3.28Å; D36-I40 WeakPolarHBondContact O-CG1 3.28Å; D36-I40 PolarHBondContact O-N 2.84Å; K37-I40 PolarHBondContact O-N 2.99Å; R38-I40 VanDerWaalsContact C-N 3.3Å; R38-I40 PolarHBondContact O-N 2.9Å; I40-W42 PolarHBondContact O-N 3.38Å; I40-K43 WeakPolarHBondContact O-CB 3.35Å; I40-K43 PolarHBondContact O-N 3.09Å; I40-L44 PolarHBondContact O-N 3.43Å; I40-M84 HydrophobicContact CG2-CE 4.06Å; I40-V86 HydrophobicContact CD1-CG2 4.09Å; I40-V86 HydrophobicContact CG1-CB 4.44Å; I40-V86 HydrophobicContact CG1-CG1 4.39Å; I40-V86 HydrophobicContact CG1-CG2 4.01Å; I40-V88 HydrophobicContact CD1-CG1 4.34Å; I40-V97 HydrophobicContact CD1-CG1 4.26Å; I40-V97 HydrophobicContact CD1-CG2 4.09Å; I40-V97 HydrophobicContact CG2-CG1 4.08Å; I40-V99 HydrophobicContact CG2-CG2 4.14Å
41F97.8Very high95.1Very high0 Ų064.3 Ų64.30%029%0.291CS..Hα-helixtrans-56.5-47.5177.6175.8-98.7000111.6I25 K37 R38 K43 L44 V45 V58 Y60 L66 I101I25-F41 HydrophobicContact CD1-CB 4.14Å; K37-F41 VanDerWaalsContact O-CB 3.32Å; K37-F41 WeakPolarHBondContact O-CB 3.49Å; K37-F41 PolarHBondContact O-N 2.62Å; R38-F41 PolarHBondContact O-N 2.8Å; F41-K43 VanDerWaalsContact C-N 3.33Å; F41-K43 PolarHBondContact O-N 2.91Å; F41-L44 WeakPolarHBondContact O-CA 3.41Å; F41-L44 VanDerWaalsContact O-CB 3.28Å; F41-L44 WeakPolarHBondContact O-CB 3.24Å; F41-L44 PolarHBondContact O-N 2.94Å; F41-L44 VanDerWaalsContact O-N 3.11Å; F41-V45 HydrophobicContact CD1-CG2 4.13Å; F41-V45 HydrophobicContact CE1-CG2 3.62Å; F41-V45 HydrophobicContact CE2-CG2 4.05Å; F41-V45 HydrophobicContact CZ-CG2 3.56Å; F41-V45 WeakPolarHBondContact O-CG2 3.22Å; F41-V45 PolarHBondContact O-N 2.84Å; F41-V58 HydrophobicContact CZ-CG2 4.37Å; F41-Y60 HydrophobicContact CB-CD1 3.53Å; F41-Y60 HydrophobicContact CB-CE1 3.66Å; F41-Y60 HydrophobicContact CB-CG 4.44Å; F41-Y60 AromaticContact CD1-CD1 3.61Å; F41-Y60 HydrophobicContact CD1-CD1 3.61Å; F41-Y60 AromaticContact CD1-CG 3.89Å; F41-Y60 HydrophobicContact CD1-CG 3.89Å; F41-Y60 HydrophobicContact CD2-CD1 4.07Å; F41-Y60 HydrophobicContact CD2-CE1 4.48Å; F41-Y60 HydrophobicContact CD2-CG 4.17Å; F41-Y60 HydrophobicContact CE1-CD1 4.36Å; F41-Y60 HydrophobicContact CE1-CG 4.19Å; F41-Y60 HydrophobicContact CE2-CG 4.45Å; F41-Y60 AromaticContact CG-CD1 3.43Å; F41-Y60 HydrophobicContact CG-CD1 3.43Å; F41-Y60 VanDerWaalsContact CG-CD1 3.43Å; F41-Y60 AromaticContact CG-CE1 3.99Å; F41-Y60 HydrophobicContact CG-CE1 3.99Å; F41-Y60 AromaticContact CG-CG 3.88Å; F41-Y60 HydrophobicContact CG-CG 3.88Å; F41-Y60 HydrophobicContact CZ-CG 4.47Å; F41-L66 HydrophobicContact CE1-CD1 4.38Å; F41-L66 HydrophobicContact CE2-CD1 3.97Å; F41-L66 HydrophobicContact CE2-CD2 4.05Å; F41-L66 HydrophobicContact CZ-CD1 3.51Å; F41-L66 HydrophobicContact CZ-CD2 4.32Å; F41-I101 HydrophobicContact CE2-CD1 4.36Å
42W96.9Very high95.2Very high1 Ų155.3 Ų55.30%0.00425%0.252CS..Hα-helixtrans-70.4-28.8-179.8-70.3117.3000113.6R38 I40 V45 K46 V58 Q138 C142 T143 L144 F373R38-W42 PolarHBondContact O-N 2.83Å; I40-W42 PolarHBondContact O-N 3.38Å; W42-V45 HydrophobicContact CE3-CB 4.05Å; W42-V45 HydrophobicContact CE3-CG1 4.09Å; W42-V45 HydrophobicContact CE3-CG2 4.1Å; W42-V45 HydrophobicContact CZ3-CB 4.4Å; W42-V45 HydrophobicContact CZ3-CG1 4.09Å; W42-V45 HydrophobicContact CZ3-CG2 4.24Å; W42-K46 WeakPolarHBondContact O-CB 3.18Å; W42-K46 PolarHBondContact O-N 3.41Å; W42-V58 HydrophobicContact CH2-CG2 4.1Å; W42-V58 HydrophobicContact CZ3-CG2 4.19Å; W42-Q138 VanDerWaalsContact CZ2-OE1 3.32Å; W42-C142 HydrophobicContact CD2-CB 4.22Å; W42-C142 HydrophobicContact CH2-CB 4.42Å; W42-C142 HydrophobicContact CZ2-CB 3.82Å; W42-T143 WeakPolarHBondContact CB-OG1 3.44Å; W42-L144 HydrophobicContact CE3-CD1 3.71Å; W42-L144 HydrophobicContact CE3-CG 4.05Å; W42-L144 HydrophobicContact CZ3-CD1 4.07Å; W42-F373 AromaticContact CH2-CE1 3.64Å; W42-F373 HydrophobicContact CH2-CE1 3.64Å; W42-F373 AromaticContact CH2-CZ 3.76Å; W42-F373 HydrophobicContact CH2-CZ 3.76Å; W42-F373 HydrophobicContact CZ2-CE1 4.2Å; W42-F373 HydrophobicContact CZ2-CZ 4.1Å; W42-F373 HydrophobicContact CZ3-CZ 4.48Å
43K96.3Very high95.2Very high88 Ų8859.5 Ų59.538%0.38328%0.278SS..Hα-helixtrans-65.7-41.8167.8-74.1172.6-175.8177.20111.6S39 I40 F41 K46 K47 M84 V86S39-K43 VanDerWaalsContact O-CG 3.3Å; S39-K43 WeakPolarHBondContact O-CG 3.23Å; S39-K43 PolarHBondContact O-N 2.66Å; S39-K43 VanDerWaalsContact O-N 3.1Å; I40-K43 WeakPolarHBondContact O-CB 3.35Å; I40-K43 PolarHBondContact O-N 3.09Å; F41-K43 VanDerWaalsContact C-N 3.33Å; F41-K43 PolarHBondContact O-N 2.91Å; K43-K46 PolarHBondContact O-N 2.96Å; K43-K47 WeakPolarHBondContact O-CB 3.14Å; K43-K47 PolarHBondContact O-N 2.93Å; K43-M84 HydrophobicContact CB-CE 3.89Å; K43-V86 HydrophobicContact CD-CG1 4.33Å
44L97.3Very high95.3Very high0 Ų060.5 Ų60.50%028%0.277CS..Hα-helixtrans-61.2-47.6175.9178.980.6000111.1I40 F41 K46 K47 N48 F52 F80 S82 M84 V99 I101I40-L44 PolarHBondContact O-N 3.43Å; F41-L44 WeakPolarHBondContact O-CA 3.41Å; F41-L44 VanDerWaalsContact O-CB 3.28Å; F41-L44 WeakPolarHBondContact O-CB 3.24Å; F41-L44 PolarHBondContact O-N 2.94Å; F41-L44 VanDerWaalsContact O-N 3.11Å; L44-K46 VanDerWaalsContact C-N 3.34Å; L44-K46 PolarHBondContact O-N 2.97Å; L44-K47 PolarHBondContact O-N 3.43Å; L44-N48 WeakPolarHBondContact CD1-ND2 3.29Å; L44-N48 WeakPolarHBondContact O-CB 3.23Å; L44-N48 PolarHBondContact O-N 3.24Å; L44-N48 PolarHBondContact O-ND2 2.98Å; L44-F52 HydrophobicContact CD2-CE2 4.44Å; L44-F52 HydrophobicContact CG-CE2 4.45Å; L44-F80 HydrophobicContact CD1-CE1 4.05Å; L44-F80 HydrophobicContact CD1-CZ 4.41Å; L44-F80 HydrophobicContact CD2-CE1 4.07Å; L44-F80 HydrophobicContact CG-CE1 4.31Å; L44-S82 VanDerWaalsContact CD1-CB 3.49Å; L44-S82 WeakPolarHBondContact CD1-OG 3.44Å; L44-M84 HydrophobicContact CB-CE 4.32Å; L44-M84 HydrophobicContact CB-SD 3.75Å; L44-M84 HydrophobicContact CD1-CG 4.27Å; L44-M84 HydrophobicContact CD1-SD 3.52Å; L44-M84 VanDerWaalsContact CD1-SD 3.52Å; L44-M84 HydrophobicContact CG-SD 4.28Å; L44-V99 HydrophobicContact CD2-CB 4.23Å; L44-V99 HydrophobicContact CD2-CG1 3.68Å; L44-I101 HydrophobicContact CD2-CD1 4.05Å
45V97.3Very high95.5Very high1 Ų157.9 Ų57.91%0.00627%0.272CS..Hα-helixtrans-57.1-47.2176169.50000110.7F41 W42 K47 N48 F52 P55 L144F41-V45 HydrophobicContact CD1-CG2 4.13Å; F41-V45 HydrophobicContact CE1-CG2 3.62Å; F41-V45 HydrophobicContact CE2-CG2 4.05Å; F41-V45 HydrophobicContact CZ-CG2 3.56Å; F41-V45 WeakPolarHBondContact O-CG2 3.22Å; F41-V45 PolarHBondContact O-N 2.84Å; W42-V45 HydrophobicContact CE3-CB 4.05Å; W42-V45 HydrophobicContact CE3-CG1 4.09Å; W42-V45 HydrophobicContact CE3-CG2 4.1Å; W42-V45 HydrophobicContact CZ3-CB 4.4Å; W42-V45 HydrophobicContact CZ3-CG1 4.09Å; W42-V45 HydrophobicContact CZ3-CG2 4.24Å; V45-K47 VanDerWaalsContact C-N 3.32Å; V45-K47 PolarHBondContact O-N 2.79Å; V45-N48 PolarHBondContact O-N 3.24Å; V45-F52 HydrophobicContact CB-CB 4.48Å; V45-F52 HydrophobicContact CB-CD2 4.31Å; V45-F52 HydrophobicContact CB-CG 4.27Å; V45-F52 HydrophobicContact CG1-CB 3.82Å; V45-F52 HydrophobicContact CG1-CG 4.11Å; V45-F52 HydrophobicContact CG2-CD1 3.99Å; V45-F52 HydrophobicContact CG2-CD2 4.09Å; V45-F52 HydrophobicContact CG2-CE1 4.14Å; V45-F52 HydrophobicContact CG2-CE2 4.25Å; V45-F52 HydrophobicContact CG2-CG 3.96Å; V45-F52 HydrophobicContact CG2-CZ 4.27Å; V45-P55 HydrophobicContact CG1-CB 3.81Å; V45-P55 HydrophobicContact CG1-CG 4.22Å; V45-L144 HydrophobicContact CG1-CD1 4.05Å
46K95.8Very high95.8Very high134 Ų13457 Ų5758%0.58327%0.265SS*.Hα-helixtrans-61.3-38.1177.6-170.5174178.9175.50112.8W42 K43 L44 L144W42-K46 WeakPolarHBondContact O-CB 3.18Å; W42-K46 PolarHBondContact O-N 3.41Å; K43-K46 PolarHBondContact O-N 2.96Å; L44-K46 VanDerWaalsContact C-N 3.34Å; L44-K46 PolarHBondContact O-N 2.97Å; K46-L144 HydrophobicContact CB-CD2 4.12Å; K46-L144 HydrophobicContact CD-CD2 4.19Å; K46-L144 HydrophobicContact CG-CD2 4.4Å
47K95.7Very high95.9Very high141 Ų14157 Ų5761%0.61327%0.265SS*.Hα-helixtrans-75.8-35-178.6-171.9-179.2175.9-170.30112.5K43 L44 V45K43-K47 WeakPolarHBondContact O-CB 3.14Å; K43-K47 PolarHBondContact O-N 2.93Å; L44-K47 PolarHBondContact O-N 3.43Å; V45-K47 VanDerWaalsContact C-N 3.32Å; V45-K47 PolarHBondContact O-N 2.79Å
48N96.1Very high96Very high37 Ų3755.6 Ų55.620%0.19826%0.259CS..  trans-107.255.3-172.1-65-75.9000112.7L44 V45 K50 V51 F52 F80L44-N48 WeakPolarHBondContact CD1-ND2 3.29Å; L44-N48 WeakPolarHBondContact O-CB 3.23Å; L44-N48 PolarHBondContact O-N 3.24Å; L44-N48 PolarHBondContact O-ND2 2.98Å; V45-N48 PolarHBondContact O-N 3.24Å; N48-K50 PolarHBondContact O-N 2.86Å; N48-K50 VanDerWaalsContact O-N 3.09Å; N48-V51 HydrophobicContact CB-CB 4.44Å; N48-V51 PolarHBondContact O-N 2.75Å; N48-F52 HydrophobicContact CB-CD2 4.06Å; N48-F52 HydrophobicContact CB-CE2 4.25Å; N48-F52 PolarHBondContact O-N 3.45Å; N48-F80 HydrophobicContact CB-CZ 4.27Å
49R94.5Very high96.1Very high180 Ų18054.6 Ų54.668%0.67926%0.255SS*.THydrogen-bonded Turntrans-59.5-22.8-177.5-68.3-170.7175.3-171.3-5.1115V51 F52 T53R49-V51 VanDerWaalsContact C-N 3.3Å; R49-F52 CarbonylContact O-C 3.42Å; R49-T53 WeakPolarHBondContact O-CA 3.49Å; R49-T53 WeakPolarHBondContact O-CG2 3.41Å; R49-T53 PolarHBondContact O-N 3Å
50K93.4Very high96.3Very high197 Ų19752.8 Ų52.886%0.85724%0.242SC*.THydrogen-bonded Turntrans-68.4-30.7174.2-65.9-174.4178.8-177.50112.5N48N48-K50 PolarHBondContact O-N 2.86Å; N48-K50 VanDerWaalsContact O-N 3.09Å
51V95.2Very high96.3Very high23 Ų2353.6 Ų53.614%0.13925%0.247CC..THydrogen-bonded Turntrans-88.8-42.4177.3-179.60000110.3N48 R49 P73 F80N48-V51 HydrophobicContact CB-CB 4.44Å; N48-V51 PolarHBondContact O-N 2.75Å; R49-V51 VanDerWaalsContact C-N 3.3Å; V51-P73 HydrophobicContact CB-CG 4.4Å; V51-P73 HydrophobicContact CG1-CG 4.24Å; V51-P73 WeakPolarHBondContact O-CD 3.41Å; V51-F80 HydrophobicContact CG1-CD2 4.36Å; V51-F80 HydrophobicContact CG2-CD2 4Å; V51-F80 HydrophobicContact CG2-CE2 3.71Å; V51-F80 HydrophobicContact CG2-CZ 4.48Å
52F96.2Very high96.2Very high3 Ų353.6 Ų53.61%0.01325%0.247CC..  trans-10767.3-179.2-54.8-80.9000111L44 V45 N48 R49 K54 V58 L72 I101L44-F52 HydrophobicContact CD2-CE2 4.44Å; L44-F52 HydrophobicContact CG-CE2 4.45Å; V45-F52 HydrophobicContact CB-CB 4.48Å; V45-F52 HydrophobicContact CB-CD2 4.31Å; V45-F52 HydrophobicContact CB-CG 4.27Å; V45-F52 HydrophobicContact CG1-CB 3.82Å; V45-F52 HydrophobicContact CG1-CG 4.11Å; V45-F52 HydrophobicContact CG2-CD1 3.99Å; V45-F52 HydrophobicContact CG2-CD2 4.09Å; V45-F52 HydrophobicContact CG2-CE1 4.14Å; V45-F52 HydrophobicContact CG2-CE2 4.25Å; V45-F52 HydrophobicContact CG2-CG 3.96Å; V45-F52 HydrophobicContact CG2-CZ 4.27Å; N48-F52 HydrophobicContact CB-CD2 4.06Å; N48-F52 HydrophobicContact CB-CE2 4.25Å; N48-F52 PolarHBondContact O-N 3.45Å; R49-F52 CarbonylContact O-C 3.42Å; F52-K54 VanDerWaalsContact C-N 3.28Å; F52-K54 PolarHBondContact O-N 3.23Å; F52-V58 HydrophobicContact CD1-CG1 4.28Å; F52-L72 HydrophobicContact CD1-CD1 4.46Å; F52-L72 HydrophobicContact CD1-CD2 3.9Å; F52-L72 HydrophobicContact CE1-CD1 3.8Å; F52-L72 HydrophobicContact CE1-CD2 4.08Å; F52-I101 HydrophobicContact CZ-CD1 3.78Å
53T94.4Very high96.1Very high106 Ų10657 Ų5765%0.6526%0.263SS*.SBendtrans-64.3-32.7-177.452.70000112.8R49 P55R49-T53 WeakPolarHBondContact O-CA 3.49Å; R49-T53 WeakPolarHBondContact O-CG2 3.41Å; R49-T53 PolarHBondContact O-N 3Å; T53-P55 WeakPolarHBondContact O-CD 3.25Å
54K95.4Very high96.1Very high79 Ų7954.3 Ų54.334%0.34326%0.256SS..SBendtrans-118.885.4174.6-64.9175.7-175.5165.30110.1F52 F56 S57 E70F52-K54 VanDerWaalsContact C-N 3.28Å; F52-K54 PolarHBondContact O-N 3.23Å; K54-F56 PolarHBondContact O-N 2.81Å; K54-F56 VanDerWaalsContact O-N 3.09Å; K54-S57 WeakPolarHBondContact CB-OG 3.49Å; K54-S57 PolarHBondContact O-N 2.64Å; K54-S57 PolarHBondContact O-OG 2.8Å; K54-E70 IonicContact NZ-OE1 3.23Å; K54-E70 PolarHBondContact NZ-OE1 3Å; K54-E70 IonicContact NZ-OE2 2.87Å; K54-E70 PolarHBondContact NZ-OE2 3.38Å
55P96.2Very high96.2Very high36 Ų3655.9 Ų55.923%0.23427%0.265CS..G310 helixtrans-58.5-25.3-175.4-28.236.2000115.4V45 T53 V58 L144V45-P55 HydrophobicContact CG1-CB 3.81Å; V45-P55 HydrophobicContact CG1-CG 4.22Å; T53-P55 WeakPolarHBondContact O-CD 3.25Å; P55-V58 WeakPolarHBondContact O-CG2 3.29Å; P55-L144 HydrophobicContact CB-CD1 3.85Å
56F96.9Very high96.2Very high69 Ų6955.8 Ų55.830%0.30326%0.264SS..G310 helixtrans-86.7-7.2178.2-55.2-47.6000113.3K54 V58 L144 V145 E372 F373 E376K54-F56 PolarHBondContact O-N 2.81Å; K54-F56 VanDerWaalsContact O-N 3.09Å; F56-V58 PolarHBondContact O-N 2.87Å; F56-L144 HydrophobicContact CE1-CB 4.42Å; F56-V145 HydrophobicContact CE1-CG2 3.83Å; F56-V145 HydrophobicContact CZ-CG2 4.49Å; F56-E372 HydrophobicContact CB-CB 4.35Å; F56-E372 HydrophobicContact CD1-CB 4.4Å; F56-E372 HydrophobicContact CD2-CB 4.05Å; F56-E372 HydrophobicContact CE2-CB 4.46Å; F56-E372 HydrophobicContact CG-CB 4.02Å; F56-F373 HydrophobicContact CB-CD1 4.34Å; F56-F373 HydrophobicContact CB-CE1 4.37Å; F56-F373 HydrophobicContact CD1-CD2 4.43Å; F56-F373 AromaticContact CD1-CE1 3.96Å; F56-F373 HydrophobicContact CD1-CE1 3.96Å; F56-F373 AromaticContact CD1-CE2 3.83Å; F56-F373 HydrophobicContact CD1-CE2 3.83Å; F56-F373 AromaticContact CD1-CZ 3.57Å; F56-F373 HydrophobicContact CD1-CZ 3.57Å; F56-F373 HydrophobicContact CE1-CE2 4.33Å; F56-F373 HydrophobicContact CE1-CZ 4.21Å; F56-F373 VanDerWaalsContact O-CD1 3.23Å; F56-F373 WeakPolarHBondContact O-CD1 3.45Å; F56-E376 HydrophobicContact CB-CB 4.25Å; F56-E376 HydrophobicContact CB-CG 4.41Å
57S96.7Very high96.3Very high8 Ų849.5 Ų49.56%0.05624%0.237CC..G310 helixtrans-88.410.9174.381.60000112.1K54 S68 K69 E376 F377K54-S57 WeakPolarHBondContact CB-OG 3.49Å; K54-S57 PolarHBondContact O-N 2.64Å; K54-S57 PolarHBondContact O-OG 2.8Å; S57-S68 CarbonylContact O-C 3.54Å; S57-S68 VanDerWaalsContact O-CA 3.23Å; S57-S68 WeakPolarHBondContact O-CA 3.44Å; S57-K69 PolarHBondContact O-N 3.35Å; S57-E376 VanDerWaalsContact CB-CG 3.49Å; S57-F377 VanDerWaalsContact C-CE2 3.44Å; S57-F377 VanDerWaalsContact O-CZ 3.29Å; S57-F377 WeakPolarHBondContact O-CZ 3.23Å
58V97.9Very high96.4Very high1 Ų142.8 Ų42.81%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-124.5141.1176.3-61.20000111F41 W42 F52 P55 F56 L66 F67 L72 F373F41-V58 HydrophobicContact CZ-CG2 4.37Å; W42-V58 HydrophobicContact CH2-CG2 4.1Å; W42-V58 HydrophobicContact CZ3-CG2 4.19Å; F52-V58 HydrophobicContact CD1-CG1 4.28Å; P55-V58 WeakPolarHBondContact O-CG2 3.29Å; F56-V58 PolarHBondContact O-N 2.87Å; V58-L66 HydrophobicContact CB-CD1 4.02Å; V58-F67 CarbonylContact C-O 3.57Å; V58-F67 VanDerWaalsContact CA-O 3.23Å; V58-F67 WeakPolarHBondContact CA-O 2.91Å; V58-L72 HydrophobicContact CG1-CD2 4.09Å; V58-F373 WeakPolarHBondContact O-CD1 3.4Å; V58-F373 WeakPolarHBondContact O-CE1 3.29Å
59A98Very high96.4Very high0 Ų044.4 Ų44.40%021%0.213CC..EExtended strand (participates in β ladder)trans-133115.6179.800000109.8L66 F67 V134 I135 Q138 F377A59-L66 WeakPolarHBondContact O-CA 3.01Å; A59-F67 PolarHBondContact N-O 3.18Å; A59-F67 PolarHBondContact O-N 3.09Å; A59-V134 HydrophobicContact CB-CG1 3.9Å; A59-I135 HydrophobicContact CB-CG1 3.84Å; A59-Q138 HydrophobicContact CB-CG 3.72Å; A59-F377 HydrophobicContact CB-CE2 4.21Å; A59-F377 HydrophobicContact CB-CZ 4.06Å
60Y97.9Very high96.4Very high2 Ų240 Ų401%0.00820%0.2CC..EExtended strand (participates in β ladder)trans-107128.5-178.7177.2-132.9000110.6V23 I25 K37 F41 G62 E63 L65 L66 Q138V23-Y60 HydrophobicContact CB-CE2 3.9Å; V23-Y60 HydrophobicContact CG1-CE2 4.04Å; V23-Y60 HydrophobicContact CG2-CD2 4.24Å; V23-Y60 HydrophobicContact CG2-CE2 4.09Å; I25-Y60 HydrophobicContact CD1-CE1 4.21Å; K37-Y60 HydrophobicContact CB-CE1 4.41Å; F41-Y60 HydrophobicContact CB-CD1 3.53Å; F41-Y60 HydrophobicContact CB-CE1 3.66Å; F41-Y60 HydrophobicContact CB-CG 4.44Å; F41-Y60 AromaticContact CD1-CD1 3.61Å; F41-Y60 HydrophobicContact CD1-CD1 3.61Å; F41-Y60 AromaticContact CD1-CG 3.89Å; F41-Y60 HydrophobicContact CD1-CG 3.89Å; F41-Y60 HydrophobicContact CD2-CD1 4.07Å; F41-Y60 HydrophobicContact CD2-CE1 4.48Å; F41-Y60 HydrophobicContact CD2-CG 4.17Å; F41-Y60 HydrophobicContact CE1-CD1 4.36Å; F41-Y60 HydrophobicContact CE1-CG 4.19Å; F41-Y60 HydrophobicContact CE2-CG 4.45Å; F41-Y60 AromaticContact CG-CD1 3.43Å; F41-Y60 HydrophobicContact CG-CD1 3.43Å; F41-Y60 VanDerWaalsContact CG-CD1 3.43Å; F41-Y60 AromaticContact CG-CE1 3.99Å; F41-Y60 HydrophobicContact CG-CE1 3.99Å; F41-Y60 AromaticContact CG-CG 3.88Å; F41-Y60 HydrophobicContact CG-CG 3.88Å; F41-Y60 HydrophobicContact CZ-CG 4.47Å; Y60-G62 PolarHBondContact O-N 3.43Å; Y60-G62 VanDerWaalsContact OH-C 3.28Å; Y60-G62 PolarHBondContact OH-O 3.43Å; Y60-E63 VanDerWaalsContact OH-C 3.3Å; Y60-E63 PolarHBondContact OH-N 2.8Å; Y60-E63 PolarHBondContact OH-O 3.09Å; Y60-L65 VanDerWaalsContact CD2-O 3.25Å; Y60-L65 WeakPolarHBondContact CD2-O 3.48Å; Y60-L66 HydrophobicContact CD2-CB 4.35Å; Y60-Q138 VanDerWaalsContact N-NE2 3.17Å; Y60-Q138 PolarHBondContact O-NE2 3.13Å
61D96.1Very high96.5Very high20 Ų2035.2 Ų35.211%0.10719%0.189CC..  trans-67.9-26.8-17888-50.5000111.8R34 R38 E63 A64 L65 V134R34-D61 IonicContact CZ-OD2 3.28Å; R34-D61 PolarHBondContact NE-O 3.34Å; R34-D61 IonicContact NH1-OD2 2.67Å; R34-D61 VanDerWaalsContact NH2-C 3.28Å; R34-D61 PolarHBondContact NH2-O 3.15Å; R34-D61 IonicContact NH2-OD2 3.1Å; R34-D61 PolarHBondContact NH2-OD2 3.41Å; R38-D61 PolarHBondContact NE-O 3.3Å; R38-D61 PolarHBondContact NH2-O 3.36Å; D61-E63 PolarHBondContact OD1-N 3.25Å; D61-E63 WeakPolarHBondContact OD2-CB 3.45Å; D61-A64 PolarHBondContact OD1-N 3.46Å; D61-L65 HydrophobicContact CB-CB 4.3Å; D61-L65 PolarHBondContact N-O 2.86Å; D61-L65 PolarHBondContact OD1-N 2.9Å; D61-V134 HydrophobicContact CB-CG1 4.18Å; D61-V134 HydrophobicContact CB-CG2 3.71Å
62G95.4Very high96.6Very high0 Ų034.8 Ų34.80%019%0.186CC..SBendtrans105.7-0.4-176.700000114R34 K37 R38 Y60R34-G62 VanDerWaalsContact CG-O 3.24Å; R34-G62 WeakPolarHBondContact CG-O 3.46Å; K37-G62 VanDerWaalsContact CB-O 3.3Å; K37-G62 WeakPolarHBondContact CB-O 3.39Å; R38-G62 VanDerWaalsContact CG-CA 3.44Å; Y60-G62 PolarHBondContact O-N 3.43Å; Y60-G62 VanDerWaalsContact OH-C 3.28Å; Y60-G62 PolarHBondContact OH-O 3.43Å
63E95.4Very high96.6Very high73 Ų7339 Ų3934%0.34121%0.214SC..SBendtrans-126.1-69.9-177.9-161.463.3-137.600111.4K37 Y60 D61K37-E63 IonicContact NZ-OE1 2.77Å; K37-E63 PolarHBondContact NZ-OE1 2.74Å; Y60-E63 VanDerWaalsContact OH-C 3.3Å; Y60-E63 PolarHBondContact OH-N 2.8Å; Y60-E63 PolarHBondContact OH-O 3.09Å; D61-E63 PolarHBondContact OD1-N 3.25Å; D61-E63 WeakPolarHBondContact OD2-CB 3.45Å
64A97.1Very high96.5Very high30 Ų3035.2 Ų35.225%0.24819%0.189CC..SBendtrans-146.2-11.5-168.200000115H22 V23 D61H22-A64 WeakPolarHBondContact CA-O 2.86Å; H22-A64 PolarHBondContact ND1-O 2.72Å; V23-A64 PolarHBondContact N-O 3.34Å; V23-A64 WeakPolarHBondContact O-CA 3.39Å; D61-A64 PolarHBondContact OD1-N 3.46Å
65L97.8Very high96.2Very high33 Ų3339.6 Ų39.617%0.17321%0.208CC..EExtended strand (participates in β ladder)trans-113.3126.2-175.3-67.2176000110.6Q20 Y60 D61 F67Q20-L65 HydrophobicContact CG-CD2 4.45Å; Y60-L65 VanDerWaalsContact CD2-O 3.25Å; Y60-L65 WeakPolarHBondContact CD2-O 3.48Å; D61-L65 HydrophobicContact CB-CB 4.3Å; D61-L65 PolarHBondContact N-O 2.86Å; D61-L65 PolarHBondContact OD1-N 2.9Å; L65-F67 HydrophobicContact CB-CE2 4.22Å; L65-F67 HydrophobicContact CB-CZ 4.3Å; L65-F67 HydrophobicContact CD1-CZ 4.42Å
66L98.4Very high95.8Very high0 Ų043.7 Ų43.70%022%0.224CC..EExtended strand (participates in β ladder)trans-123.1133.5172.8167.770.3000108.8Y21 V23 F41 V58 A59 Y60 L72 I101Y21-L66 HydrophobicContact CD2-CD2 4.34Å; Y21-L66 HydrophobicContact CD2-CG 4.27Å; Y21-L66 HydrophobicContact CG-CD2 4.34Å; Y21-L66 PolarHBondContact N-O 3.05Å; Y21-L66 PolarHBondContact O-N 3.38Å; V23-L66 HydrophobicContact CG2-CB 3.39Å; V23-L66 HydrophobicContact CG2-CD2 4Å; V23-L66 HydrophobicContact CG2-CG 4.34Å; F41-L66 HydrophobicContact CE1-CD1 4.38Å; F41-L66 HydrophobicContact CE2-CD1 3.97Å; F41-L66 HydrophobicContact CE2-CD2 4.05Å; F41-L66 HydrophobicContact CZ-CD1 3.51Å; F41-L66 HydrophobicContact CZ-CD2 4.32Å; V58-L66 HydrophobicContact CB-CD1 4.02Å; A59-L66 WeakPolarHBondContact O-CA 3.01Å; Y60-L66 HydrophobicContact CD2-CB 4.35Å; L66-L72 HydrophobicContact CD2-CD1 4.05Å; L66-I101 HydrophobicContact CD2-CD1 4.22Å; L66-I101 HydrophobicContact CD2-CG2 3.8Å
67F98.3Very high95.3Very high1 Ų148.4 Ų48.40%0.00425%0.252CS..EExtended strand (participates in β ladder)trans-115.3141.4173.3-57.2-73.7000109.5V18 V19 Q20 V58 A59 L65 V107 V131 V134V18-F67 HydrophobicContact CG2-CB 4.36Å; V18-F67 HydrophobicContact CG2-CD1 4.02Å; V18-F67 HydrophobicContact CG2-CG 4.49Å; V19-F67 CarbonylContact O-C 3.57Å; V19-F67 VanDerWaalsContact O-CA 3.29Å; V19-F67 WeakPolarHBondContact O-CA 3.26Å; Q20-F67 HydrophobicContact CB-CD1 4.05Å; Q20-F67 HydrophobicContact CB-CE1 3.97Å; Q20-F67 HydrophobicContact CG-CD1 4.03Å; Q20-F67 HydrophobicContact CG-CE1 3.57Å; Q20-F67 HydrophobicContact CG-CZ 4.42Å; V58-F67 CarbonylContact C-O 3.57Å; V58-F67 VanDerWaalsContact CA-O 3.23Å; V58-F67 WeakPolarHBondContact CA-O 2.91Å; A59-F67 PolarHBondContact N-O 3.18Å; A59-F67 PolarHBondContact O-N 3.09Å; L65-F67 HydrophobicContact CB-CE2 4.22Å; L65-F67 HydrophobicContact CB-CZ 4.3Å; L65-F67 HydrophobicContact CD1-CZ 4.42Å; F67-V107 HydrophobicContact CE1-CG2 4.31Å; F67-V131 HydrophobicContact CD1-CG2 3.73Å; F67-V131 HydrophobicContact CD2-CG2 4.23Å; F67-V131 HydrophobicContact CE1-CG2 3.52Å; F67-V131 HydrophobicContact CE2-CG2 4.06Å; F67-V131 HydrophobicContact CG-CG1 4.37Å; F67-V131 HydrophobicContact CG-CG2 4.07Å; F67-V131 HydrophobicContact CZ-CG2 3.69Å; F67-V134 HydrophobicContact CD2-CB 4.24Å; F67-V134 HydrophobicContact CD2-CG1 4.04Å; F67-V134 HydrophobicContact CE2-CB 4.23Å; F67-V134 HydrophobicContact CE2-CG1 4.34Å; F67-V134 HydrophobicContact CE2-CG2 4.16Å
68S97.9Very high95.2Very high0 Ų050 Ų500%027%0.266CS..EExtended strand (participates in β ladder)trans-129.9145.7168.973.10000111V18 V19 Y21 S57 E70V18-S68 CarbonylContact C-O 3.6Å; V18-S68 WeakPolarHBondContact CA-O 3.42Å; V18-S68 WeakPolarHBondContact CB-O 3.46Å; V19-S68 PolarHBondContact N-O 3.42Å; V19-S68 PolarHBondContact O-N 3.05Å; Y21-S68 VanDerWaalsContact CE2-OG 3.28Å; Y21-S68 WeakPolarHBondContact CE2-OG 2.98Å; S57-S68 CarbonylContact O-C 3.54Å; S57-S68 VanDerWaalsContact O-CA 3.23Å; S57-S68 WeakPolarHBondContact O-CA 3.44Å; S68-E70 VanDerWaalsContact CB-O 3.28Å; S68-E70 WeakPolarHBondContact CB-O 3.42Å; S68-E70 PolarHBondContact OG-O 2.82Å
69K95.7Very high95.1Very high72 Ų7252 Ų5231%0.31328%0.283SS..SBendtrans-67.9-45.4174.5-177.5-176.7-173.9-178.60111.7S57 E376 F377S57-K69 PolarHBondContact O-N 3.35Å; K69-E376 WeakPolarHBondContact CD-O 3.49Å; K69-E376 WeakPolarHBondContact CE-O 3.44Å; K69-E376 PolarHBondContact NZ-O 3.28Å; K69-F377 HydrophobicContact CB-CD1 4.2Å; K69-F377 HydrophobicContact CB-CE1 4.2Å
70E94.3Very high95.1Very high88 Ų8853.5 Ų53.541%0.41129%0.289SS..SBendtrans-108.3144.2176.2-70170.3-169.200108.9K54 S68 L72K54-E70 IonicContact NZ-OE1 3.23Å; K54-E70 PolarHBondContact NZ-OE1 3Å; K54-E70 IonicContact NZ-OE2 2.87Å; K54-E70 PolarHBondContact NZ-OE2 3.38Å; S68-E70 VanDerWaalsContact CB-O 3.28Å; S68-E70 WeakPolarHBondContact CB-O 3.42Å; S68-E70 PolarHBondContact OG-O 2.82Å; E70-L72 PolarHBondContact O-N 2.83Å
71P95.7Very high95Very high95 Ų9560.5 Ų60.562%0.61732%0.322SS*.  trans-55.8127.7176.2-19.727.7000111.5V19 Y21V19-P71 HydrophobicContact CG2-CB 4.2Å; V19-P71 HydrophobicContact CG2-CG 3.87Å; Y21-P71 WeakPolarHBondContact OH-CA 3.37Å
72L96.6Very high95Very high14 Ų1460.4 Ų60.47%0.07332%0.323CS..  trans-59.8150.1166.2-60.7178.6000109.9Y21 F52 V58 L66 E70 I74Y21-L72 HydrophobicContact CD1-CD1 4.43Å; Y21-L72 HydrophobicContact CD2-CD1 4.44Å; Y21-L72 HydrophobicContact CE1-CB 4.17Å; Y21-L72 HydrophobicContact CE1-CD1 4.15Å; Y21-L72 HydrophobicContact CE1-CG 4.35Å; Y21-L72 HydrophobicContact CE2-CD1 4.15Å; Y21-L72 HydrophobicContact CE2-CG 4.16Å; Y21-L72 PolarHBondContact OH-N 3.27Å; F52-L72 HydrophobicContact CD1-CD1 4.46Å; F52-L72 HydrophobicContact CD1-CD2 3.9Å; F52-L72 HydrophobicContact CE1-CD1 3.8Å; F52-L72 HydrophobicContact CE1-CD2 4.08Å; V58-L72 HydrophobicContact CG1-CD2 4.09Å; L66-L72 HydrophobicContact CD2-CD1 4.05Å; E70-L72 PolarHBondContact O-N 2.83Å; L72-I74 HydrophobicContact CB-CD1 3.99Å; L72-I74 HydrophobicContact CB-CG1 3.99Å; L72-I74 HydrophobicContact CD1-CD1 4.15Å; L72-I74 PolarHBondContact O-N 2.85Å
73P95.5Very high95.1Very high93 Ų9365.3 Ų65.360%0.60435%0.346SS*.SBendtrans-74.259.4-179.632.7-37000111.8V51V51-P73 HydrophobicContact CB-CG 4.4Å; V51-P73 HydrophobicContact CG1-CG 4.24Å; V51-P73 WeakPolarHBondContact O-CD 3.41Å
74I93.6Very high95.1Very high25 Ų2562.4 Ų62.413%0.12833%0.333CS..  trans-116.2124.7178-53.1177.1000106Y21 L72 A78 F80 I101Y21-I74 HydrophobicContact CD1-CD1 4.28Å; Y21-I74 HydrophobicContact CE1-CD1 4.07Å; L72-I74 HydrophobicContact CB-CD1 3.99Å; L72-I74 HydrophobicContact CB-CG1 3.99Å; L72-I74 HydrophobicContact CD1-CD1 4.15Å; L72-I74 PolarHBondContact O-N 2.85Å; I74-A78 HydrophobicContact CG2-CB 4.37Å; I74-A78 WeakPolarHBondContact CG2-O 3.45Å; I74-F80 HydrophobicContact CD1-CB 3.61Å; I74-F80 HydrophobicContact CG1-CB 3.97Å; I74-I101 HydrophobicContact CD1-CB 4.39Å; I74-I101 HydrophobicContact CD1-CG2 4.05Å
75K89.8Confident95Very high171 Ų17167 Ų6774%0.74335%0.353SS*.  trans-62.5153.3178.9-65.4-178.4-179.9179.80110.7N77 A78K75-N77 PolarHBondContact O-N 3.18Å; K75-A78 HydrophobicContact CB-CB 3.94Å; K75-A78 WeakPolarHBondContact O-CB 3.23Å; K75-A78 PolarHBondContact O-N 3.37Å
76E86.7Confident94.8Very high122 Ų12265.7 Ų65.757%0.5735%0.346SS*.THydrogen-bonded Turntrans-58.3135.5173.2-145.867.8-174.800109.8A78 K103E76-A78 PolarHBondContact O-N 3.45Å; E76-K103 IonicContact OE1-NZ 3.37Å; E76-K103 PolarHBondContact OE1-NZ 3.45Å; E76-K103 WeakPolarHBondContact OE2-CD 3.41Å; E76-K103 IonicContact OE2-NZ 2.89Å; E76-K103 PolarHBondContact OE2-NZ 2.99Å
77N86.9Confident94.5Very high168 Ų16869.6 Ų69.690%0.89837%0.365SS*.THydrogen-bonded Turntrans61.810.2-173.7-54.2-36.9000116.5K75K75-N77 PolarHBondContact O-N 3.18Å
78A95Very high94.2Very high41 Ų4169.9 Ų69.934%0.33937%0.367SS..  trans-98.5160.5170.300000111.6I74 K75 E76I74-A78 HydrophobicContact CG2-CB 4.37Å; I74-A78 WeakPolarHBondContact CG2-O 3.45Å; K75-A78 HydrophobicContact CB-CB 3.94Å; K75-A78 WeakPolarHBondContact O-CB 3.23Å; K75-A78 PolarHBondContact O-N 3.37Å; E76-A78 PolarHBondContact O-N 3.45Å
79A95.3Very high93.9Very high43 Ų4373.4 Ų73.436%0.35539%0.385SS..EExtended strand (participates in β ladder)trans-111141.2166.800000109.7E81 I101 R102A79-E81 HydrophobicContact CB-CG 4.23Å; A79-I101 CarbonylContact C-O 3.04Å; A79-I101 WeakPolarHBondContact CA-O 3.27Å; A79-R102 HydrophobicContact CB-CB 4.27Å
80F97Very high93.5Very high33 Ų3373.7 Ų73.715%0.14538%0.384CS..EExtended strand (participates in β ladder)trans-79.2119.1159.8170-94.7000108L44 N48 V51 I74 S100 I101L44-F80 HydrophobicContact CD1-CE1 4.05Å; L44-F80 HydrophobicContact CD1-CZ 4.41Å; L44-F80 HydrophobicContact CD2-CE1 4.07Å; L44-F80 HydrophobicContact CG-CE1 4.31Å; N48-F80 HydrophobicContact CB-CZ 4.27Å; V51-F80 HydrophobicContact CG1-CD2 4.36Å; V51-F80 HydrophobicContact CG2-CD2 4Å; V51-F80 HydrophobicContact CG2-CE2 3.71Å; V51-F80 HydrophobicContact CG2-CZ 4.48Å; I74-F80 HydrophobicContact CD1-CB 3.61Å; I74-F80 HydrophobicContact CG1-CB 3.97Å; F80-S100 CarbonylContact O-C 3.55Å; F80-S100 WeakPolarHBondContact O-CA 3.42Å; F80-I101 HydrophobicContact CB-CB 4.31Å; F80-I101 HydrophobicContact CD1-CB 4.43Å; F80-I101 HydrophobicContact CD1-CD1 4.04Å; F80-I101 HydrophobicContact CD1-CG1 4.31Å; F80-I101 PolarHBondContact N-O 3.33Å; F80-I101 PolarHBondContact O-N 3.05Å
81E97Very high93.3Very high148 Ų14870.5 Ų70.569%0.69237%0.371SS*.EExtended strand (participates in β ladder)trans-113.6138.7178.1-62.5-168.9165.500110.6A79 V99A79-E81 HydrophobicContact CB-CG 4.23Å; E81-V99 CarbonylContact C-O 3.57Å; E81-V99 WeakPolarHBondContact CA-O 3.3Å
82S96.4Very high92.8Very high19 Ų1969.1 Ų69.113%0.13336%0.359CS..EExtended strand (participates in β ladder)trans-148.3138.7174.1-179.40000110.3L44 V99L44-S82 VanDerWaalsContact CD1-CB 3.49Å; L44-S82 WeakPolarHBondContact CD1-OG 3.44Å; S82-V99 PolarHBondContact N-O 2.87Å; S82-V99 PolarHBondContact O-N 3.11Å
83E96Very high92.4Very high103 Ų10377.6 Ų77.648%0.48139%0.39SS..EExtended strand (participates in β ladder)trans-104.4138.7170-60.4-173.1151.100109.7V97 K98E83-V97 WeakPolarHBondContact CA-O 3.45Å; E83-K98 HydrophobicContact CG-CG 4.17Å; E83-K98 WeakPolarHBondContact OE1-CD 3.49Å; E83-K98 WeakPolarHBondContact OE1-CE 3.38Å; E83-K98 IonicContact OE1-NZ 2.7Å; E83-K98 PolarHBondContact OE1-NZ 3.09Å; E83-K98 VanDerWaalsContact OE1-NZ 3.14Å
84M95Very high92.2Very high12 Ų1276.8 Ų76.86%0.05939%0.385CS..EExtended strand (participates in β ladder)trans-140.5137180-38.4-156.7-36.200111.3I40 K43 L44 V86 V97I40-M84 HydrophobicContact CG2-CE 4.06Å; K43-M84 HydrophobicContact CB-CE 3.89Å; L44-M84 HydrophobicContact CB-CE 4.32Å; L44-M84 HydrophobicContact CB-SD 3.75Å; L44-M84 HydrophobicContact CD1-CG 4.27Å; L44-M84 HydrophobicContact CD1-SD 3.52Å; L44-M84 VanDerWaalsContact CD1-SD 3.52Å; L44-M84 HydrophobicContact CG-SD 4.28Å; M84-V86 HydrophobicContact CB-CG1 4.1Å; M84-V86 HydrophobicContact CE-CG1 3.57Å; M84-V97 PolarHBondContact N-O 2.88Å; M84-V97 PolarHBondContact O-N 3.24Å
85N95.3Very high92.3Very high125 Ų12575.8 Ų75.867%0.66838%0.379SS*.EExtended strand (participates in β ladder)trans-85.7118.6164.4-76.1-53.5000109.6I95N85-I95 WeakPolarHBondContact CA-O 3.41Å
86V94Very high92.6Very high6 Ų671.7 Ų71.74%0.03636%0.363CS..EExtended strand (participates in β ladder)trans-131135.5-176.4-690000111.2I40 K43 M84 V88 P94 I95 V97I40-V86 HydrophobicContact CD1-CG2 4.09Å; I40-V86 HydrophobicContact CG1-CB 4.44Å; I40-V86 HydrophobicContact CG1-CG1 4.39Å; I40-V86 HydrophobicContact CG1-CG2 4.01Å; K43-V86 HydrophobicContact CD-CG1 4.33Å; M84-V86 HydrophobicContact CB-CG1 4.1Å; M84-V86 HydrophobicContact CE-CG1 3.57Å; V86-V88 HydrophobicContact CG2-CG1 4.22Å; V86-V88 PolarHBondContact O-N 2.92Å; V86-P94 WeakPolarHBondContact O-CA 3.37Å; V86-I95 HydrophobicContact CG2-CG1 4.2Å; V86-I95 PolarHBondContact N-O 3.12Å; V86-I95 PolarHBondContact O-N 2.98Å; V86-V97 HydrophobicContact CG2-CB 4.1Å; V86-V97 HydrophobicContact CG2-CG2 3.35Å
87Q91.6Very high93.1Very high82 Ų8265.9 Ų65.938%0.38334%0.336SS..  trans-79.3117166.6-175.157.663.800109.1S91 R93Q87-S91 PolarHBondContact NE2-O 2.85Å; Q87-R93 VanDerWaalsContact OE1-C 3.26Å
88V92.6Very high93.6Very high8 Ų863.2 Ų63.25%0.04832%0.316CS..  trans-105.6159.5173-62.20000110.7L32 D36 I40 V86 R90 S91 I95L32-V88 HydrophobicContact CD2-CG1 4.13Å; D36-V88 HydrophobicContact CB-CG1 4.48Å; I40-V88 HydrophobicContact CD1-CG1 4.34Å; V86-V88 HydrophobicContact CG2-CG1 4.22Å; V86-V88 PolarHBondContact O-N 2.92Å; V88-R90 VanDerWaalsContact C-N 3.3Å; V88-R90 PolarHBondContact O-N 2.79Å; V88-S91 PolarHBondContact O-N 2.8Å; V88-I95 HydrophobicContact CB-CD1 4.38Å; V88-I95 HydrophobicContact CG1-CD1 3.87Å; V88-I95 HydrophobicContact CG1-CG1 4.22Å; V88-I95 HydrophobicContact CG2-CD1 3.57Å; V88-I95 HydrophobicContact CG2-CG1 4.04Å
89L90.9Very high93.8Very high74 Ų7461.5 Ų61.539%0.38730%0.301SS..THydrogen-bonded Turntrans-67.4-29.3-177.5-65.4173.9000112.6S91 A262 Q263L89-S91 VanDerWaalsContact C-N 3.32Å; L89-S91 PolarHBondContact O-N 2.87Å; L89-A262 CarbonylContact O-C 3.59Å; L89-A262 WeakPolarHBondContact O-CA 3.42Å; L89-Q263 HydrophobicContact CB-CG 4.21Å; L89-Q263 PolarHBondContact O-N 2.85Å
90R88.4Confident93.9Very high78 Ų7860.9 Ų60.929%0.29430%0.295SS..THydrogen-bonded Turntrans-87.66-178.3-67.1-176.1-137.38741.5114.7V30 K31 T33 D36 V88V30-R90 HydrophobicContact CG1-CB 4.01Å; K31-R90 PolarHBondContact O-NH1 3.16Å; T33-R90 VanDerWaalsContact N-NH1 3.18Å; T33-R90 PolarHBondContact OG1-NH2 3.42Å; D36-R90 IonicContact OD1-NH2 3.51Å; D36-R90 IonicContact OD2-CZ 3.21Å; D36-R90 IonicContact OD2-NH1 3.59Å; D36-R90 PolarHBondContact OD2-NH1 3.48Å; D36-R90 IonicContact OD2-NH2 2.78Å; D36-R90 PolarHBondContact OD2-NH2 2.72Å; V88-R90 VanDerWaalsContact C-N 3.3Å; V88-R90 PolarHBondContact O-N 2.79Å
91S89Confident94Very high20 Ų2059.3 Ų59.314%0.1429%0.288CS..  trans-126.1142.3179.1-175.50000110.5Q87 V88 L89 R93 A262Q87-S91 PolarHBondContact NE2-O 2.85Å; V88-S91 PolarHBondContact O-N 2.8Å; L89-S91 VanDerWaalsContact C-N 3.32Å; L89-S91 PolarHBondContact O-N 2.87Å; S91-R93 VanDerWaalsContact C-N 3.29Å; S91-R93 VanDerWaalsContact CB-O 3.3Å; S91-R93 WeakPolarHBondContact CB-O 3.21Å; S91-R93 PolarHBondContact OG-N 2.77Å; S91-R93 PolarHBondContact OG-O 2.95Å; S91-A262 WeakPolarHBondContact O-CB 3.29Å
92N85.2Confident94Very high67 Ų6759 Ų5936%0.35828%0.28SS..SBendtrans-79.5-14.2172.6-77.2-41.5000113.4R258 A262 Y264N92-R258 PolarHBondContact ND2-NH2 3.08Å; N92-R258 PolarHBondContact OD1-NH2 3.34Å; N92-A262 WeakPolarHBondContact OD1-CB 3.39Å; N92-Y264 PolarHBondContact ND2-OH 3.17Å; N92-Y264 PolarHBondContact OD1-OH 3.41Å; N92-Y264 VanDerWaalsContact OD1-OH 3.06Å
93R88.2Confident94Very high191 Ų19161.8 Ų61.872%0.72129%0.29SS*.SBendtrans-128.8155.1-178.8-63-178.9-179.3-175.7-3109.5Q87 S91 I95Q87-R93 VanDerWaalsContact OE1-C 3.26Å; S91-R93 VanDerWaalsContact C-N 3.29Å; S91-R93 VanDerWaalsContact CB-O 3.3Å; S91-R93 WeakPolarHBondContact CB-O 3.21Å; S91-R93 PolarHBondContact OG-N 2.77Å; S91-R93 PolarHBondContact OG-O 2.95Å; R93-I95 PolarHBondContact O-N 3Å
94P92.4Very high94Very high77 Ų7759.7 Ų59.750%0.529%0.287SS..  trans-52.4137.8167.1-25.335000110.3V86V86-P94 WeakPolarHBondContact O-CA 3.37Å
95I94.6Very high94Very high3 Ų360.6 Ų60.62%0.01530%0.299CS..EExtended strand (participates in β ladder)trans-111.1148.1173.659.9172.1000108.6K29 V30 L32 N85 V86 V88 R93 V97K29-I95 HydrophobicContact CB-CG2 4.26Å; K29-I95 HydrophobicContact CD-CG2 4.41Å; V30-I95 HydrophobicContact CB-CD1 4.03Å; V30-I95 HydrophobicContact CG2-CD1 4.35Å; V30-I95 HydrophobicContact CG2-CG2 4.13Å; L32-I95 HydrophobicContact CD2-CD1 3.96Å; N85-I95 WeakPolarHBondContact CA-O 3.41Å; V86-I95 HydrophobicContact CG2-CG1 4.2Å; V86-I95 PolarHBondContact N-O 3.12Å; V86-I95 PolarHBondContact O-N 2.98Å; V88-I95 HydrophobicContact CB-CD1 4.38Å; V88-I95 HydrophobicContact CG1-CD1 3.87Å; V88-I95 HydrophobicContact CG1-CG1 4.22Å; V88-I95 HydrophobicContact CG2-CD1 3.57Å; V88-I95 HydrophobicContact CG2-CG1 4.04Å; R93-I95 PolarHBondContact O-N 3Å; I95-V97 HydrophobicContact CD1-CG2 4.12Å; I95-V97 HydrophobicContact CG1-CG2 4.06Å
96E96.5Very high94Very high86 Ų8657.7 Ų57.740%0.40229%0.289SS..EExtended strand (participates in β ladder)trans-77.6135.2168.5-174.6170.3-154.800109S27S27-E96 WeakPolarHBondContact CB-O 3.14Å; S27-E96 PolarHBondContact OG-O 2.91Å
97V97.6Very high94.1Very high0 Ų058 Ų580%029%0.29CS..EExtended strand (participates in β ladder)trans-130.7132.7178.4176.50000108I25 G26 L32 I40 E83 M84 V86 I95 V99I25-V97 HydrophobicContact CG2-CG1 3.48Å; I25-V97 VanDerWaalsContact CG2-CG1 3.48Å; G26-V97 WeakPolarHBondContact O-CA 3.16Å; G26-V97 WeakPolarHBondContact O-CG1 3.49Å; L32-V97 HydrophobicContact CD1-CG1 4.27Å; L32-V97 HydrophobicContact CD1-CG2 4.43Å; I40-V97 HydrophobicContact CD1-CG1 4.26Å; I40-V97 HydrophobicContact CD1-CG2 4.09Å; I40-V97 HydrophobicContact CG2-CG1 4.08Å; E83-V97 WeakPolarHBondContact CA-O 3.45Å; M84-V97 PolarHBondContact N-O 2.88Å; M84-V97 PolarHBondContact O-N 3.24Å; V86-V97 HydrophobicContact CG2-CB 4.1Å; V86-V97 HydrophobicContact CG2-CG2 3.35Å; I95-V97 HydrophobicContact CD1-CG2 4.12Å; I95-V97 HydrophobicContact CG1-CG2 4.06Å; V97-V99 HydrophobicContact CG1-CG2 4.23Å
98K97.8Very high94.1Very high112 Ų11259.1 Ų59.149%0.48729%0.294SS..EExtended strand (participates in β ladder)trans-98.5132.9172.3-54.6-166179.3-159.30108.7I25 G26 E83I25-K98 WeakPolarHBondContact CA-O 3.32Å; G26-K98 PolarHBondContact N-O 3.49Å; G26-K98 PolarHBondContact O-N 3.24Å; E83-K98 HydrophobicContact CG-CG 4.17Å; E83-K98 WeakPolarHBondContact OE1-CD 3.49Å; E83-K98 WeakPolarHBondContact OE1-CE 3.38Å; E83-K98 IonicContact OE1-NZ 2.7Å; E83-K98 PolarHBondContact OE1-NZ 3.09Å; E83-K98 VanDerWaalsContact OE1-NZ 3.14Å
99V98.2Very high94.1Very high4 Ų459.3 Ų59.32%0.02430%0.295CS..EExtended strand (participates in β ladder)trans-121128.9176-173.80000109.2V23 D24 I25 I40 L44 E81 S82 V97 I101V23-V99 HydrophobicContact CG1-CG1 4.47Å; D24-V99 CarbonylContact O-C 3.55Å; D24-V99 VanDerWaalsContact O-CA 3.28Å; D24-V99 WeakPolarHBondContact O-CA 3.46Å; I25-V99 HydrophobicContact CG1-CG1 3.96Å; I25-V99 HydrophobicContact CG1-CG2 4.17Å; I25-V99 HydrophobicContact CG2-CG2 4.26Å; I40-V99 HydrophobicContact CG2-CG2 4.14Å; L44-V99 HydrophobicContact CD2-CB 4.23Å; L44-V99 HydrophobicContact CD2-CG1 3.68Å; E81-V99 CarbonylContact C-O 3.57Å; E81-V99 WeakPolarHBondContact CA-O 3.3Å; S82-V99 PolarHBondContact N-O 2.87Å; S82-V99 PolarHBondContact O-N 3.11Å; V97-V99 HydrophobicContact CG1-CG2 4.23Å; V99-I101 HydrophobicContact CG1-CG1 4.21Å
100S98.1Very high93.9Very high30 Ų3057.6 Ų57.621%0.2129%0.286CS..EExtended strand (participates in β ladder)trans-123.7132.1173.1-174.70000109.6V23 D24 F80V23-S100 CarbonylContact C-O 3.47Å; V23-S100 WeakPolarHBondContact CA-O 3.08Å; D24-S100 PolarHBondContact N-O 3.48Å; D24-S100 PolarHBondContact O-N 3.23Å; F80-S100 CarbonylContact O-C 3.55Å; F80-S100 WeakPolarHBondContact O-CA 3.42Å
101I98.4Very high93.5Very high0 Ų054.9 Ų54.90%028%0.276CS..EExtended strand (participates in β ladder)trans-127.9117.8177.2-55.8176.7000108.2Y21 H22 V23 F41 L44 F52 L66 I74 A79 F80 V99Y21-I101 HydrophobicContact CD1-CG2 3.9Å; Y21-I101 HydrophobicContact CG-CG2 4.06Å; H22-I101 WeakPolarHBondContact O-CA 3.25Å; V23-I101 HydrophobicContact CG1-CG1 4.26Å; V23-I101 HydrophobicContact CG2-CG1 4.22Å; V23-I101 HydrophobicContact CG2-CG2 4.41Å; F41-I101 HydrophobicContact CE2-CD1 4.36Å; L44-I101 HydrophobicContact CD2-CD1 4.05Å; F52-I101 HydrophobicContact CZ-CD1 3.78Å; L66-I101 HydrophobicContact CD2-CD1 4.22Å; L66-I101 HydrophobicContact CD2-CG2 3.8Å; I74-I101 HydrophobicContact CD1-CB 4.39Å; I74-I101 HydrophobicContact CD1-CG2 4.05Å; A79-I101 CarbonylContact C-O 3.04Å; A79-I101 WeakPolarHBondContact CA-O 3.27Å; F80-I101 HydrophobicContact CB-CB 4.31Å; F80-I101 HydrophobicContact CD1-CB 4.43Å; F80-I101 HydrophobicContact CD1-CD1 4.04Å; F80-I101 HydrophobicContact CD1-CG1 4.31Å; F80-I101 PolarHBondContact N-O 3.33Å; F80-I101 PolarHBondContact O-N 3.05Å; V99-I101 HydrophobicContact CG1-CG1 4.21Å
102R97.7Very high93.2Very high141 Ų14158.7 Ų58.753%0.53229%0.29SS..EExtended strand (participates in β ladder)trans-126.7135.8-178.462.6-173.6-162.3-176.83.6110.7Y21 H22 A79 S104Y21-R102 CarbonylContact C-O 3.55Å; Y21-R102 WeakPolarHBondContact CA-O 3.49Å; Y21-R102 WeakPolarHBondContact CB-O 3.46Å; H22-R102 HydrophobicContact CB-CG 3.89Å; H22-R102 PolarHBondContact N-O 3.18Å; H22-R102 PolarHBondContact O-N 3.48Å; A79-R102 HydrophobicContact CB-CB 4.27Å; R102-S104 PolarHBondContact O-N 3.22Å
103K97.5Very high92.6Very high78 Ų7858.3 Ų58.334%0.33929%0.288SS..EExtended strand (participates in β ladder)trans-62.5133.9175.9-172.3-176177.6-162.10109V19 Y21 E76V19-K103 HydrophobicContact CG1-CD 4.24Å; V19-K103 HydrophobicContact CG1-CG 3.94Å; Y21-K103 HydrophobicContact CD1-CB 4.03Å; Y21-K103 HydrophobicContact CE1-CB 3.92Å; Y21-K103 HydrophobicContact CE1-CG 4.28Å; E76-K103 IonicContact OE1-NZ 3.37Å; E76-K103 PolarHBondContact OE1-NZ 3.45Å; E76-K103 WeakPolarHBondContact OE2-CD 3.41Å; E76-K103 IonicContact OE2-NZ 2.89Å; E76-K103 PolarHBondContact OE2-NZ 2.99Å
104S95.8Very high91.9Very high60 Ų6056.2 Ų56.242%0.4229%0.286SS..EExtended strand (participates in β ladder)trans-126.1-9.1-177.768.20000114Q20 R102Q20-S104 WeakPolarHBondContact CG-OG 3.29Å; Q20-S104 PolarHBondContact NE2-OG 3.2Å; Q20-S104 PolarHBondContact O-N 3.28Å; Q20-S104 PolarHBondContact O-OG 2.97Å; R102-S104 PolarHBondContact O-N 3.22Å
105G95Very high91Very high31 Ų3162.3 Ų62.332%0.3231%0.305SS..EExtended strand (participates in β ladder)trans160.9-160.8176.200000113.2Q20Q20-G105 PolarHBondContact N-O 3.04Å; Q20-G105 PolarHBondContact O-N 3.15Å
106S95.1Very high90.2Very high64 Ų6465.6 Ų65.645%0.44833%0.328SS..EExtended strand (participates in β ladder)trans-137.9154.4169.165.50000110.6E17 V18E17-S106 VanDerWaalsContact OE1-CB 3.24Å; E17-S106 WeakPolarHBondContact OE1-CB 3.32Å; E17-S106 PolarHBondContact OE1-OG 3.2Å; V18-S106 CarbonylContact O-C 3.53Å; V18-S106 WeakPolarHBondContact O-CA 3.07Å; V18-S106 WeakPolarHBondContact O-CB 3.26Å
107V95.2Very high89.1Confident11 Ų1163 Ų637%0.06733%0.325CS..EExtended strand (participates in β ladder)trans-129.4125.4177.3-177.90000108.5E17 V18 F67 P128 V131E17-V107 WeakPolarHBondContact CA-O 3.36Å; V18-V107 HydrophobicContact CG2-CB 3.88Å; V18-V107 WeakPolarHBondContact CG2-O 3.46Å; V18-V107 PolarHBondContact N-O 3.5Å; V18-V107 PolarHBondContact O-N 3.42Å; F67-V107 HydrophobicContact CE1-CG2 4.31Å; V107-P128 HydrophobicContact CG1-CG 4.21Å; V107-V131 HydrophobicContact CB-CG2 4.04Å; V107-V131 HydrophobicContact CG1-CG2 3.87Å; V107-V131 HydrophobicContact CG2-CG2 4.31Å
108K92.6Very high88.1Confident107 Ų10767 Ų6747%0.46535%0.349SS..EExtended strand (participates in β ladder)trans-90.4126.2173.7-66.3178179.7176.20109V15 E17 I110 P128V15-K108 HydrophobicContact CG1-CB 4.08Å; V15-K108 HydrophobicContact CG1-CD 4.43Å; V15-K108 HydrophobicContact CG1-CG 4.25Å; E17-K108 HydrophobicContact CB-CG 4.09Å; E17-K108 VanDerWaalsContact CD-CE 3.49Å; E17-K108 HydrophobicContact CG-CG 3.87Å; E17-K108 WeakPolarHBondContact OE2-CE 3.42Å; K108-I110 HydrophobicContact CB-CD1 3.95Å; K108-I110 HydrophobicContact CB-CG1 4.04Å; K108-I110 HydrophobicContact CD-CD1 4.24Å; K108-I110 PolarHBondContact O-N 2.76Å; K108-P128 WeakPolarHBondContact O-CG 3.38Å
109L91.5Very high87Confident11 Ų1162.5 Ų62.56%0.05834%0.335CS..  trans-77.670.1173.6-56.8-172.9000110I16 F111 P128 V131 V132 L379I16-L109 HydrophobicContact CB-CB 4.17Å; I16-L109 HydrophobicContact CB-CD1 4.15Å; I16-L109 HydrophobicContact CB-CG 4.32Å; I16-L109 HydrophobicContact CG2-CD1 3.78Å; I16-L109 HydrophobicContact CG2-CG 4.17Å; I16-L109 PolarHBondContact O-N 2.81Å; L109-F111 HydrophobicContact CB-CE2 4.48Å; L109-P128 HydrophobicContact CD2-CB 4.17Å; L109-V131 HydrophobicContact CD1-CG1 4.47Å; L109-V131 HydrophobicContact CD2-CB 3.81Å; L109-V131 HydrophobicContact CD2-CG1 3.75Å; L109-V131 HydrophobicContact CD2-CG2 4.39Å; L109-V132 HydrophobicContact CD2-CG2 4.42Å; L109-L379 HydrophobicContact CD1-CD1 4.25Å
110I86.6Confident86Confident39 Ų3964.4 Ų64.420%0.234%0.344CS..  trans-116134.1174.7-62.4175.1000106.3V15 K108 K112 L120V15-I110 HydrophobicContact CG1-CD1 3.81Å; V15-I110 HydrophobicContact CG1-CG1 3.78Å; V15-I110 HydrophobicContact CG2-CD1 4.09Å; V15-I110 HydrophobicContact CG2-CG1 4.36Å; K108-I110 HydrophobicContact CB-CD1 3.95Å; K108-I110 HydrophobicContact CB-CG1 4.04Å; K108-I110 HydrophobicContact CD-CD1 4.24Å; K108-I110 PolarHBondContact O-N 2.76Å; I110-K112 WeakPolarHBondContact CG2-O 3.34Å; I110-L120 HydrophobicContact CG2-CD1 4.29Å; I110-L120 WeakPolarHBondContact O-CD1 3.42Å
111F81.4Confident85.1Confident20 Ų2065.7 Ų65.79%0.08835%0.354CS..  trans-117.2-7.2177.1-58-79.4000111.8L109 P128 I129 V132 V185 Y189 P191L109-F111 HydrophobicContact CB-CE2 4.48Å; F111-P128 HydrophobicContact CD1-CB 4.12Å; F111-P128 HydrophobicContact CE1-CB 3.45Å; F111-P128 VanDerWaalsContact CE1-CB 3.45Å; F111-P128 HydrophobicContact CZ-CB 3.76Å; F111-I129 HydrophobicContact CE1-CG1 4.14Å; F111-V132 HydrophobicContact CZ-CG2 4.1Å; F111-V185 HydrophobicContact CB-CG1 4.42Å; F111-V185 HydrophobicContact CB-CG2 4.18Å; F111-V185 HydrophobicContact CD1-CG2 3.42Å; F111-V185 VanDerWaalsContact CD1-CG2 3.42Å; F111-V185 HydrophobicContact CE1-CG2 4.16Å; F111-V185 HydrophobicContact CG-CG2 4.12Å; F111-Y189 WeakPolarHBondContact CB-O 3.37Å; F111-Y189 WeakPolarHBondContact O-CB 3.38Å; F111-P191 HydrophobicContact CD2-CB 3.74Å; F111-P191 HydrophobicContact CD2-CG 3.91Å; F111-P191 HydrophobicContact CE2-CB 3.68Å; F111-P191 HydrophobicContact CE2-CG 4.07Å; F111-P191 HydrophobicContact CG-CB 4.26Å; F111-P191 HydrophobicContact CZ-CB 4.13Å
112K81.5Confident84.1Confident101 Ų10170.4 Ų70.444%0.43938%0.384SS..BIsolated β-bridgetrans-130.9131.5179.7-175.1178-176.6179.30109.7I110 Q114 G117 Y189I110-K112 WeakPolarHBondContact CG2-O 3.34Å; K112-Q114 PolarHBondContact O-N 2.83Å; K112-G117 WeakPolarHBondContact CE-O 3.29Å; K112-Y189 HydrophobicContact CB-CD2 4.04Å; K112-Y189 HydrophobicContact CB-CG 4.13Å; K112-Y189 HydrophobicContact CD-CD2 3.79Å; K112-Y189 HydrophobicContact CG-CD2 3.56Å; K112-Y189 HydrophobicContact CG-CE2 4.28Å; K112-Y189 HydrophobicContact CG-CG 4.16Å
113D74Confident83.2Confident58 Ų5869.8 Ų69.831%0.3139%0.391SS..  trans-64.8120.9170.5-173-49.8000109.4K115 S116 G117 V118 L120D113-K115 VanDerWaalsContact C-N 3.3Å; D113-K115 PolarHBondContact O-N 3.22Å; D113-K115 WeakPolarHBondContact OD1-CA 3.47Å; D113-K115 WeakPolarHBondContact OD1-CB 3.3Å; D113-K115 PolarHBondContact OD1-N 3.41Å; D113-S116 VanDerWaalsContact CB-OG 3.27Å; D113-S116 WeakPolarHBondContact CB-OG 3.45Å; D113-S116 VanDerWaalsContact CG-OG 3.26Å; D113-S116 PolarHBondContact OD1-N 2.86Å; D113-G117 VanDerWaalsContact O-CA 3.29Å; D113-G117 WeakPolarHBondContact O-CA 3.37Å; D113-G117 PolarHBondContact O-N 3.43Å; D113-V118 VanDerWaalsContact CB-O 3.25Å; D113-V118 WeakPolarHBondContact CB-O 3.16Å; D113-V118 PolarHBondContact N-O 2.99Å; D113-L120 HydrophobicContact CB-CD2 4.32Å
114Q73Confident82.5Confident148 Ų14869 Ų6969%0.69240%0.395SS*.THydrogen-bonded Turntrans-72.6-23.1-176.2-66.5-171.3600113.3K112K112-Q114 PolarHBondContact O-N 2.83Å
115K73.9Confident82Confident205 Ų20567.5 Ų67.589%0.89138%0.382SS*.THydrogen-bonded Turntrans-87.6-49.9-178.9-65.5-174.5178-177.20111.5D113D113-K115 VanDerWaalsContact C-N 3.3Å; D113-K115 PolarHBondContact O-N 3.22Å; D113-K115 WeakPolarHBondContact OD1-CA 3.47Å; D113-K115 WeakPolarHBondContact OD1-CB 3.3Å; D113-K115 PolarHBondContact OD1-N 3.41Å
116S76.1Confident81.8Confident72 Ų7272.4 Ų72.450%0.50340%0.397SS..THydrogen-bonded Turntrans-84.3-21-176.767.60000112.5D113 V118D113-S116 VanDerWaalsContact CB-OG 3.27Å; D113-S116 WeakPolarHBondContact CB-OG 3.45Å; D113-S116 VanDerWaalsContact CG-OG 3.26Å; D113-S116 PolarHBondContact OD1-N 2.86Å; S116-V118 PolarHBondContact O-N 3.31Å; S116-V118 WeakPolarHBondContact OG-CB 3.26Å; S116-V118 PolarHBondContact OG-N 3.27Å
117G74.6Confident81.7Confident32 Ų3272 Ų7233%0.3339%0.393SS..  trans70.83-170.900000113.6K112 D113 Y189K112-G117 WeakPolarHBondContact CE-O 3.29Å; D113-G117 VanDerWaalsContact O-CA 3.29Å; D113-G117 WeakPolarHBondContact O-CA 3.37Å; D113-G117 PolarHBondContact O-N 3.43Å; G117-Y189 WeakPolarHBondContact O-CE2 3.18Å
118V77Confident81.6Confident82 Ų8271.7 Ų71.750%0.49739%0.392SS..SBendtrans-92.3162.5178.8-170.50000109.5D113 S116D113-V118 VanDerWaalsContact CB-O 3.25Å; D113-V118 WeakPolarHBondContact CB-O 3.16Å; D113-V118 PolarHBondContact N-O 2.99Å; S116-V118 PolarHBondContact O-N 3.31Å; S116-V118 WeakPolarHBondContact OG-CB 3.26Å; S116-V118 PolarHBondContact OG-N 3.27Å
119G73.9Confident81.7Confident19 Ų1967.9 Ų67.920%0.19638%0.376CS..BIsolated β-bridgetrans-64.2154.4176.100000111.4Y189G119-Y189 PolarHBondContact N-OH 3.11Å
120L77.5Confident81.9Confident43 Ų4371.4 Ų71.423%0.22539%0.393CS..PPolyproline II helixtrans-68157168.4-68.4178.3000109.3I110 D113 E125I110-L120 HydrophobicContact CG2-CD1 4.29Å; I110-L120 WeakPolarHBondContact O-CD1 3.42Å; D113-L120 HydrophobicContact CB-CD2 4.32Å; L120-E125 HydrophobicContact CB-CG 3.57Å
121S80Confident82.4Confident58 Ų5869.6 Ų69.641%0.40638%0.383SS..PPolyproline II helixtrans-62150.9170.767.90000109.8D123 S124 E125S121-D123 PolarHBondContact O-N 2.79Å; S121-D123 VanDerWaalsContact O-N 3.1Å; S121-S124 WeakPolarHBondContact O-CA 3.44Å; S121-S124 WeakPolarHBondContact O-CB 3.4Å; S121-S124 PolarHBondContact O-N 2.78Å; S121-S124 WeakPolarHBondContact OG-CB 3.34Å; S121-S124 PolarHBondContact OG-N 2.79Å; S121-S124 PolarHBondContact OG-OG 3.5Å; S121-E125 PolarHBondContact O-N 3.41Å
122P76.4Confident83.1Confident99 Ų9968.6 Ų68.664%0.64338%0.379SS*.Hα-helixtrans-51-38.8178.9-29.335.5000113.6E125 Q126P122-E125 PolarHBondContact O-N 3Å; P122-Q126 WeakPolarHBondContact O-CG 3.46Å; P122-Q126 PolarHBondContact O-N 2.94Å
123D79Confident83.8Confident127 Ų12765.1 Ų65.168%0.67937%0.365SS*.Hα-helixtrans-66.3-37.3177.2-62-32.9000112.5S121 E125 Q126S121-D123 PolarHBondContact O-N 2.79Å; S121-D123 VanDerWaalsContact O-N 3.1Å; D123-E125 VanDerWaalsContact C-N 3.34Å; D123-Q126 PolarHBondContact O-N 3.39Å
124S82.7Confident84.9Confident61 Ų6163 Ų6343%0.42735%0.354SS..Hα-helixtrans-72.3-28.8177.6-58.70000112.2S121 P128S121-S124 WeakPolarHBondContact O-CA 3.44Å; S121-S124 WeakPolarHBondContact O-CB 3.4Å; S121-S124 PolarHBondContact O-N 2.78Å; S121-S124 WeakPolarHBondContact OG-CB 3.34Å; S121-S124 PolarHBondContact OG-N 2.79Å; S121-S124 PolarHBondContact OG-OG 3.5Å; S124-P128 WeakPolarHBondContact O-CD 3.38Å
125E84.9Confident86Confident30 Ų3056 Ų5614%0.1432%0.321CS..Hα-helixtrans-77.4-25.9176.9-66.7-175.1166.700113.3L120 S121 P122 D123 S127 P128 I129L120-E125 HydrophobicContact CB-CG 3.57Å; S121-E125 PolarHBondContact O-N 3.41Å; P122-E125 PolarHBondContact O-N 3Å; D123-E125 VanDerWaalsContact C-N 3.34Å; E125-S127 VanDerWaalsContact C-N 3.34Å; E125-S127 PolarHBondContact O-N 3.32Å; E125-P128 VanDerWaalsContact O-CD 3.29Å; E125-P128 WeakPolarHBondContact O-CD 3.19Å; E125-I129 HydrophobicContact CB-CD1 4.09Å; E125-I129 WeakPolarHBondContact O-CB 3.38Å; E125-I129 WeakPolarHBondContact O-CD1 3.28Å; E125-I129 VanDerWaalsContact O-CG1 3.23Å; E125-I129 WeakPolarHBondContact O-CG1 3.33Å; E125-I129 PolarHBondContact O-N 3.25Å
126Q90.6Very high87Confident134 Ų13446.2 Ų46.263%0.62628%0.279SS*.Hα-helixtrans-59.4-42.4-176.1-78.1-150.5-3.600113.1P122 D123 I129 Q130P122-Q126 WeakPolarHBondContact O-CG 3.46Å; P122-Q126 PolarHBondContact O-N 2.94Å; D123-Q126 PolarHBondContact O-N 3.39Å; Q126-I129 PolarHBondContact O-N 2.95Å; Q126-Q130 WeakPolarHBondContact O-CB 3.4Å; Q126-Q130 PolarHBondContact O-N 2.83Å
127S92.8Very high87.9Confident54 Ų5443.6 Ų43.638%0.37826%0.261SS..Hα-helixtrans-65.6-50.1-177.7-63.80000111.7E125 I129 Q130 V131E125-S127 VanDerWaalsContact C-N 3.34Å; E125-S127 PolarHBondContact O-N 3.32Å; S127-I129 PolarHBondContact O-N 2.97Å; S127-Q130 PolarHBondContact O-N 3.39Å; S127-V131 WeakPolarHBondContact O-CG2 3.3Å; S127-V131 PolarHBondContact O-N 3.48Å
128P93.9Very high88.9Confident5 Ų542.2 Ų42.23%0.03225%0.247CC..Hα-helixtrans-55.6-43.8170.9-28.135000114.2V107 K108 L109 F111 S124 E125 Q130 V131 V132V107-P128 HydrophobicContact CG1-CG 4.21Å; K108-P128 WeakPolarHBondContact O-CG 3.38Å; L109-P128 HydrophobicContact CD2-CB 4.17Å; F111-P128 HydrophobicContact CD1-CB 4.12Å; F111-P128 HydrophobicContact CE1-CB 3.45Å; F111-P128 VanDerWaalsContact CE1-CB 3.45Å; F111-P128 HydrophobicContact CZ-CB 3.76Å; S124-P128 WeakPolarHBondContact O-CD 3.38Å; E125-P128 VanDerWaalsContact O-CD 3.29Å; E125-P128 WeakPolarHBondContact O-CD 3.19Å; P128-Q130 VanDerWaalsContact C-N 3.34Å; P128-Q130 PolarHBondContact O-N 2.84Å; P128-V131 PolarHBondContact O-N 2.96Å; P128-V132 WeakPolarHBondContact O-CG2 3.28Å; P128-V132 PolarHBondContact O-N 3.43Å; P128-V132 VanDerWaalsContact O-N 3.09Å
129I94.9Very high89.7Confident28 Ų2838.3 Ų38.314%0.14422%0.223CC..Hα-helixtrans-59.8-46.3176.8-71.8165.7000110.5F111 E125 Q126 S127 V131 V132 D133 A183 V185F111-I129 HydrophobicContact CE1-CG1 4.14Å; E125-I129 HydrophobicContact CB-CD1 4.09Å; E125-I129 WeakPolarHBondContact O-CB 3.38Å; E125-I129 WeakPolarHBondContact O-CD1 3.28Å; E125-I129 VanDerWaalsContact O-CG1 3.23Å; E125-I129 WeakPolarHBondContact O-CG1 3.33Å; E125-I129 PolarHBondContact O-N 3.25Å; Q126-I129 PolarHBondContact O-N 2.95Å; S127-I129 PolarHBondContact O-N 2.97Å; I129-V131 VanDerWaalsContact C-N 3.35Å; I129-V131 PolarHBondContact O-N 3.39Å; I129-V132 PolarHBondContact O-N 2.87Å; I129-D133 PolarHBondContact O-N 2.88Å; I129-A183 HydrophobicContact CG2-CB 4.15Å; I129-A183 WeakPolarHBondContact CG2-O 3.47Å; I129-V185 HydrophobicContact CD1-CG2 4.1Å; I129-V185 HydrophobicContact CG1-CG2 4.27Å
130Q95.6Very high90.6Very high85 Ų8537.7 Ų37.740%0.39722%0.215SC..Hα-helixtrans-62.4-41.4179.6-175.7179.755.600111.7Q126 S127 P128 V132 D133 V134Q126-Q130 WeakPolarHBondContact O-CB 3.4Å; Q126-Q130 PolarHBondContact O-N 2.83Å; S127-Q130 PolarHBondContact O-N 3.39Å; P128-Q130 VanDerWaalsContact C-N 3.34Å; P128-Q130 PolarHBondContact O-N 2.84Å; Q130-V132 VanDerWaalsContact C-N 3.34Å; Q130-V132 PolarHBondContact O-N 3Å; Q130-D133 PolarHBondContact O-N 2.85Å; Q130-V134 HydrophobicContact CG-CG2 4.47Å; Q130-V134 WeakPolarHBondContact O-CB 3.45Å; Q130-V134 VanDerWaalsContact O-CG2 3.27Å; Q130-V134 WeakPolarHBondContact O-CG2 3.25Å; Q130-V134 PolarHBondContact O-N 2.85Å
131V96.6Very high91.4Very high0 Ų036.5 Ų36.50%021%0.211CC..Hα-helixtrans-58.3-48.7175173.40000110.4V18 F67 V107 L109 S127 P128 I129 D133 V134 I135V18-V131 HydrophobicContact CG1-CG1 4.33Å; V18-V131 HydrophobicContact CG2-CG1 3.84Å; V18-V131 HydrophobicContact CG2-CG2 3.93Å; F67-V131 HydrophobicContact CD1-CG2 3.73Å; F67-V131 HydrophobicContact CD2-CG2 4.23Å; F67-V131 HydrophobicContact CE1-CG2 3.52Å; F67-V131 HydrophobicContact CE2-CG2 4.06Å; F67-V131 HydrophobicContact CG-CG1 4.37Å; F67-V131 HydrophobicContact CG-CG2 4.07Å; F67-V131 HydrophobicContact CZ-CG2 3.69Å; V107-V131 HydrophobicContact CB-CG2 4.04Å; V107-V131 HydrophobicContact CG1-CG2 3.87Å; V107-V131 HydrophobicContact CG2-CG2 4.31Å; L109-V131 HydrophobicContact CD1-CG1 4.47Å; L109-V131 HydrophobicContact CD2-CB 3.81Å; L109-V131 HydrophobicContact CD2-CG1 3.75Å; L109-V131 HydrophobicContact CD2-CG2 4.39Å; S127-V131 WeakPolarHBondContact O-CG2 3.3Å; S127-V131 PolarHBondContact O-N 3.48Å; P128-V131 PolarHBondContact O-N 2.96Å; I129-V131 VanDerWaalsContact C-N 3.35Å; I129-V131 PolarHBondContact O-N 3.39Å; V131-D133 PolarHBondContact O-N 2.91Å; V131-V134 PolarHBondContact O-N 3.4Å; V131-I135 HydrophobicContact CG1-CD1 3.68Å; V131-I135 HydrophobicContact CG1-CG1 4.36Å; V131-I135 VanDerWaalsContact O-CG1 3.3Å; V131-I135 WeakPolarHBondContact O-CG1 3.15Å; V131-I135 PolarHBondContact O-N 2.98Å
132V96.2Very high92.1Very high0 Ų033.7 Ų33.70%019%0.191CC..Hα-helixtrans-63.2-43.4179.6177.10000111.1L8 L109 F111 P128 I129 Q130 V134 I135 L136 A183L8-V132 HydrophobicContact CD1-CG1 4.37Å; L8-V132 HydrophobicContact CD2-CG1 3.69Å; L8-V132 HydrophobicContact CD2-CG2 3.93Å; L109-V132 HydrophobicContact CD2-CG2 4.42Å; F111-V132 HydrophobicContact CZ-CG2 4.1Å; P128-V132 WeakPolarHBondContact O-CG2 3.28Å; P128-V132 PolarHBondContact O-N 3.43Å; P128-V132 VanDerWaalsContact O-N 3.09Å; I129-V132 PolarHBondContact O-N 2.87Å; Q130-V132 VanDerWaalsContact C-N 3.34Å; Q130-V132 PolarHBondContact O-N 3Å; V132-V134 VanDerWaalsContact C-N 3.3Å; V132-V134 PolarHBondContact O-N 2.92Å; V132-I135 PolarHBondContact O-N 2.86Å; V132-L136 HydrophobicContact CG1-CD1 3.78Å; V132-L136 HydrophobicContact CG1-CG 4.11Å; V132-L136 WeakPolarHBondContact O-CB 3.46Å; V132-L136 VanDerWaalsContact O-CG 3.26Å; V132-L136 WeakPolarHBondContact O-CG 3.29Å; V132-L136 PolarHBondContact O-N 3.31Å; V132-A183 HydrophobicContact CB-CB 3.8Å; V132-A183 HydrophobicContact CG1-CB 3.58Å
133D96.2Very high92.9Very high27 Ų2732.8 Ų32.814%0.14418%0.184CC..Hα-helixtrans-57.7-43.4175.2-88.9-15.6000111.9I129 Q130 V131 A137 S182 A183I129-D133 PolarHBondContact O-N 2.88Å; Q130-D133 PolarHBondContact O-N 2.85Å; V131-D133 PolarHBondContact O-N 2.91Å; D133-A137 PolarHBondContact O-N 2.92Å; D133-S182 VanDerWaalsContact OD1-CA 3.29Å; D133-S182 WeakPolarHBondContact OD1-CA 3.32Å; D133-A183 PolarHBondContact OD1-N 2.98Å
134V96.7Very high93.7Very high14 Ų1429.4 Ų29.49%0.08517%0.166CC..Hα-helixtrans-66.6-42.41781730000111A59 D61 F67 Q130 V131 V132 A137 Q138A59-V134 HydrophobicContact CB-CG1 3.9Å; D61-V134 HydrophobicContact CB-CG1 4.18Å; D61-V134 HydrophobicContact CB-CG2 3.71Å; F67-V134 HydrophobicContact CD2-CB 4.24Å; F67-V134 HydrophobicContact CD2-CG1 4.04Å; F67-V134 HydrophobicContact CE2-CB 4.23Å; F67-V134 HydrophobicContact CE2-CG1 4.34Å; F67-V134 HydrophobicContact CE2-CG2 4.16Å; Q130-V134 HydrophobicContact CG-CG2 4.47Å; Q130-V134 WeakPolarHBondContact O-CB 3.45Å; Q130-V134 VanDerWaalsContact O-CG2 3.27Å; Q130-V134 WeakPolarHBondContact O-CG2 3.25Å; Q130-V134 PolarHBondContact O-N 2.85Å; V131-V134 PolarHBondContact O-N 3.4Å; V132-V134 VanDerWaalsContact C-N 3.3Å; V132-V134 PolarHBondContact O-N 2.92Å; V134-A137 PolarHBondContact O-N 2.9Å; V134-Q138 VanDerWaalsContact O-CG 3.32Å; V134-Q138 WeakPolarHBondContact O-CG 3.41Å; V134-Q138 PolarHBondContact O-NE2 3.42Å
135I96.5Very high94.2Very high0 Ų026.9 Ų26.90%015%0.147CC..Hα-helixtrans-62.4-49.7175.7-66.4164.3000110.5A59 V131 V132 A137 Q138 F373 L374 F377 L379A59-I135 HydrophobicContact CB-CG1 3.84Å; V131-I135 HydrophobicContact CG1-CD1 3.68Å; V131-I135 HydrophobicContact CG1-CG1 4.36Å; V131-I135 VanDerWaalsContact O-CG1 3.3Å; V131-I135 WeakPolarHBondContact O-CG1 3.15Å; V131-I135 PolarHBondContact O-N 2.98Å; V132-I135 PolarHBondContact O-N 2.86Å; I135-A137 PolarHBondContact O-N 2.89Å; I135-A137 VanDerWaalsContact O-N 3.12Å; I135-Q138 WeakPolarHBondContact O-CB 3.16Å; I135-Q138 WeakPolarHBondContact O-CG 3.46Å; I135-Q138 PolarHBondContact O-N 2.81Å; I135-F373 HydrophobicContact CG2-CB 4.1Å; I135-L374 HydrophobicContact CG2-CD2 3.83Å; I135-L374 HydrophobicContact CG2-CG 4.45Å; I135-F377 HydrophobicContact CD1-CB 4.01Å; I135-F377 HydrophobicContact CD1-CD1 3.47Å; I135-F377 VanDerWaalsContact CD1-CD1 3.47Å; I135-F377 HydrophobicContact CD1-CD2 4.17Å; I135-F377 HydrophobicContact CD1-CE1 3.9Å; I135-F377 HydrophobicContact CD1-CG 3.62Å; I135-F377 HydrophobicContact CD1-CZ 4.39Å; I135-F377 HydrophobicContact CG1-CD1 4.2Å; I135-F377 HydrophobicContact CG1-CD2 4.19Å; I135-F377 HydrophobicContact CG1-CE1 4.26Å; I135-F377 HydrophobicContact CG1-CE2 4.24Å; I135-F377 HydrophobicContact CG1-CG 4.15Å; I135-F377 HydrophobicContact CG1-CZ 4.27Å; I135-F377 HydrophobicContact CG2-CD2 4.31Å; I135-L379 HydrophobicContact CD1-CD1 4.1Å
136L95.4Very high94.5Very high0 Ų030.2 Ų30.20%017%0.174CC..Hα-helixtrans-55.8-33.3-178.7-77.7169000112.3V132 R140 A183 V193 L368 L374V132-L136 HydrophobicContact CG1-CD1 3.78Å; V132-L136 HydrophobicContact CG1-CG 4.11Å; V132-L136 WeakPolarHBondContact O-CB 3.46Å; V132-L136 VanDerWaalsContact O-CG 3.26Å; V132-L136 WeakPolarHBondContact O-CG 3.29Å; V132-L136 PolarHBondContact O-N 3.31Å; L136-R140 PolarHBondContact O-NH1 3.4Å; L136-R140 PolarHBondContact O-NH2 3.2Å; L136-A183 HydrophobicContact CD1-CB 4.46Å; L136-V193 HydrophobicContact CD1-CB 4.49Å; L136-V193 HydrophobicContact CD1-CG1 3.73Å; L136-V193 HydrophobicContact CD1-CG2 3.89Å; L136-V193 HydrophobicContact CD2-CG2 4.39Å; L136-L368 HydrophobicContact CD2-CD2 3.63Å; L136-L374 HydrophobicContact CD2-CD1 4.04Å; L136-L374 HydrophobicContact CD2-CD2 3.91Å; L136-L374 HydrophobicContact CD2-CG 4.41Å; L136-L374 HydrophobicContact CG-CD2 4.43Å
137A94.4Very high94.6Very high17 Ų1724.9 Ų24.914%0.1415%0.148CC..Hα-helixtrans-75-21.9-179.600000114D133 V134 I135 G139 R140 A141D133-A137 PolarHBondContact O-N 2.92Å; V134-A137 PolarHBondContact O-N 2.9Å; I135-A137 PolarHBondContact O-N 2.89Å; I135-A137 VanDerWaalsContact O-N 3.12Å; A137-G139 PolarHBondContact O-N 3.03Å; A137-R140 PolarHBondContact O-N 3.01Å; A137-A141 WeakPolarHBondContact O-CB 3.27Å; A137-A141 PolarHBondContact O-N 2.92Å
138Q95.4Very high94.7Very high4 Ų422.9 Ų22.92%0.01914%0.135CC..Hα-helixtrans-64.7-46.8-166.6-62.6-49.8-39.600113.6W42 A59 Y60 V134 I135 R140 A141 C142 F373W42-Q138 VanDerWaalsContact CZ2-OE1 3.32Å; A59-Q138 HydrophobicContact CB-CG 3.72Å; Y60-Q138 VanDerWaalsContact N-NE2 3.17Å; Y60-Q138 PolarHBondContact O-NE2 3.13Å; V134-Q138 VanDerWaalsContact O-CG 3.32Å; V134-Q138 WeakPolarHBondContact O-CG 3.41Å; V134-Q138 PolarHBondContact O-NE2 3.42Å; I135-Q138 WeakPolarHBondContact O-CB 3.16Å; I135-Q138 WeakPolarHBondContact O-CG 3.46Å; I135-Q138 PolarHBondContact O-N 2.81Å; Q138-R140 PolarHBondContact O-N 3.1Å; Q138-A141 PolarHBondContact O-N 3.34Å; Q138-C142 WeakPolarHBondContact O-CB 3.48Å; Q138-C142 PolarHBondContact O-N 2.84Å; Q138-F373 HydrophobicContact CB-CB 4.08Å; Q138-F373 HydrophobicContact CB-CD1 3.57Å; Q138-F373 HydrophobicContact CB-CD2 3.36Å; Q138-F373 HydrophobicContact CB-CE1 3.73Å; Q138-F373 HydrophobicContact CB-CE2 3.51Å; Q138-F373 HydrophobicContact CB-CG 3.38Å; Q138-F373 HydrophobicContact CB-CZ 3.69Å; Q138-F373 HydrophobicContact CG-CD1 3.82Å; Q138-F373 HydrophobicContact CG-CD2 4.46Å; Q138-F373 HydrophobicContact CG-CE1 4.06Å; Q138-F373 HydrophobicContact CG-CG 4.04Å; Q138-F373 HydrophobicContact CG-CZ 4.46Å
139G93.4Very high94.6Very high0 Ų029.7 Ų29.70%017%0.166CC..Hα-helixtrans-60.4-18.5-17800000114.8A137 D371A137-G139 PolarHBondContact O-N 3.03Å; G139-D371 WeakPolarHBondContact CA-OD2 3.45Å
140R94.3Very high94.6Very high6 Ų633.8 Ų33.82%0.02318%0.18CC..Hα-helixtrans-101.7-10.9177.4-62.3178.9-63.2-68.33.1113.3L136 A137 Q138 F151 V153 A158 T181L136-R140 PolarHBondContact O-NH1 3.4Å; L136-R140 PolarHBondContact O-NH2 3.2Å; A137-R140 PolarHBondContact O-N 3.01Å; Q138-R140 PolarHBondContact O-N 3.1Å; R140-F151 HydrophobicContact CB-CD2 4.32Å; R140-F151 HydrophobicContact CB-CG 4.47Å; R140-F151 HydrophobicContact CG-CD2 4.19Å; R140-F151 HydrophobicContact CG-CE2 4.39Å; R140-V153 HydrophobicContact CB-CG2 4.14Å; R140-V153 WeakPolarHBondContact O-CG2 3.44Å; R140-A158 HydrophobicContact CB-CB 4.05Å; R140-A158 VanDerWaalsContact CD-CB 3.45Å; R140-A158 HydrophobicContact CG-CB 4.28Å; R140-T181 PolarHBondContact NH2-OG1 3.4Å; R140-T181 VanDerWaalsContact NH2-OG1 3.09Å
141A93.3Very high94.5Very high17 Ų1730 Ų3014%0.1416%0.162CC..Hα-helixtrans-118.2-22.4-17600000114.1A137 Q138 V153A137-A141 WeakPolarHBondContact O-CB 3.27Å; A137-A141 PolarHBondContact O-N 2.92Å; Q138-A141 PolarHBondContact O-N 3.34Å; A141-V153 HydrophobicContact CB-CG2 4.14Å
142C95.1Very high94.4Very high0 Ų030.4 Ų30.40%017%0.165CC..  trans-76.8121.5-176177.90000111.4W42 Q138 L144 V145 A148 F373W42-C142 HydrophobicContact CD2-CB 4.22Å; W42-C142 HydrophobicContact CH2-CB 4.42Å; W42-C142 HydrophobicContact CZ2-CB 3.82Å; Q138-C142 WeakPolarHBondContact O-CB 3.48Å; Q138-C142 PolarHBondContact O-N 2.84Å; C142-L144 PolarHBondContact O-N 3.29Å; C142-L144 VanDerWaalsContact O-N 3.17Å; C142-L144 PolarHBondContact SG-N 2.8Å; C142-L144 VanDerWaalsContact SG-N 3.41Å; C142-V145 HydrophobicContact CB-CG2 4.13Å; C142-V145 PolarHBondContact O-N 3Å; C142-V145 VanDerWaalsContact O-N 3.08Å; C142-A148 WeakPolarHBondContact O-CB 3.33Å; C142-F373 HydrophobicContact CB-CE2 3.86Å; C142-F373 HydrophobicContact CB-CZ 3.68Å
143T93.5Very high94.3Very high80 Ų8031.2 Ų31.249%0.49117%0.17SC..THydrogen-bonded Turntrans-73.6-2.9-179.6600000114.2W42 V145W42-T143 WeakPolarHBondContact CB-OG1 3.44Å; T143-V145 VanDerWaalsContact C-N 3.34Å
144L94.5Very high94Very high56 Ų5632 Ų3229%0.29318%0.175SC..THydrogen-bonded Turntrans-83.8-14.5169.9-54.6-178.8000112.3W42 V45 K46 P55 F56 C142W42-L144 HydrophobicContact CE3-CD1 3.71Å; W42-L144 HydrophobicContact CE3-CG 4.05Å; W42-L144 HydrophobicContact CZ3-CD1 4.07Å; V45-L144 HydrophobicContact CG1-CD1 4.05Å; K46-L144 HydrophobicContact CB-CD2 4.12Å; K46-L144 HydrophobicContact CD-CD2 4.19Å; K46-L144 HydrophobicContact CG-CD2 4.4Å; P55-L144 HydrophobicContact CB-CD1 3.85Å; F56-L144 HydrophobicContact CE1-CB 4.42Å; C142-L144 PolarHBondContact O-N 3.29Å; C142-L144 VanDerWaalsContact O-N 3.17Å; C142-L144 PolarHBondContact SG-N 2.8Å; C142-L144 VanDerWaalsContact SG-N 3.41Å
145V94.6Very high93.7Very high7 Ų733.6 Ų33.64%0.04220%0.195CC..SBendtrans-102.4119.2178.5-171.10000108.8F56 C142 T143 R147 A148 F373F56-V145 HydrophobicContact CE1-CG2 3.83Å; F56-V145 HydrophobicContact CZ-CG2 4.49Å; C142-V145 HydrophobicContact CB-CG2 4.13Å; C142-V145 PolarHBondContact O-N 3Å; C142-V145 VanDerWaalsContact O-N 3.08Å; T143-V145 VanDerWaalsContact C-N 3.34Å; V145-R147 VanDerWaalsContact C-N 3.25Å; V145-R147 HydrophobicContact CG1-CG 3.73Å; V145-R147 VanDerWaalsContact CG1-NH1 3.31Å; V145-R147 PolarHBondContact O-N 3.34Å; V145-A148 VanDerWaalsContact O-CB 3.29Å; V145-A148 WeakPolarHBondContact O-CB 3.44Å; V145-A148 PolarHBondContact O-N 2.88Å; V145-F373 HydrophobicContact CG2-CE2 3.86Å
146S91.9Very high93.5Very high100 Ų10036.9 Ų36.970%0.69921%0.212SC*.G310 helixtrans-56.1-37.9-176.957.10000113.1A148 E149S146-A148 PolarHBondContact O-N 3.24Å; S146-E149 PolarHBondContact O-N 3.42Å
147R92.4Very high93.5Very high23 Ų2337.4 Ų37.49%0.08722%0.216CC..G310 helixtrans-64.6-22.3-18078.8-174.3171.9-92.1-4113.7V145 E149 R150 F151 A366 D371 E372V145-R147 VanDerWaalsContact C-N 3.25Å; V145-R147 HydrophobicContact CG1-CG 3.73Å; V145-R147 VanDerWaalsContact CG1-NH1 3.31Å; V145-R147 PolarHBondContact O-N 3.34Å; R147-E149 PolarHBondContact O-N 2.78Å; R147-R150 WeakPolarHBondContact O-CB 3.06Å; R147-R150 PolarHBondContact O-N 3.39Å; R147-F151 WeakPolarHBondContact O-CD2 3.35Å; R147-A366 PolarHBondContact NE-O 3.17Å; R147-D371 IonicContact NH2-OD2 3.41Å; R147-D371 PolarHBondContact NH2-OD2 2.82Å; R147-E372 IonicContact CZ-OE1 2.87Å; R147-E372 IonicContact CZ-OE2 3.17Å; R147-E372 IonicContact NH1-OE1 3.66Å; R147-E372 PolarHBondContact NH1-OE1 2.67Å; R147-E372 IonicContact NH1-OE2 3.61Å; R147-E372 PolarHBondContact NH1-OE2 2.89Å; R147-E372 IonicContact NH2-OE2 3.14Å; R147-E372 PolarHBondContact NH2-OE2 2.96Å
148A93.4Very high93.5Very high11 Ų1136.6 Ų36.69%0.09121%0.209CC..G310 helixtrans-62.9-25.4177.900000112.4C142 V145 S146 R150 F151C142-A148 WeakPolarHBondContact O-CB 3.33Å; V145-A148 VanDerWaalsContact O-CB 3.29Å; V145-A148 WeakPolarHBondContact O-CB 3.44Å; V145-A148 PolarHBondContact O-N 2.88Å; S146-A148 PolarHBondContact O-N 3.24Å; A148-R150 PolarHBondContact O-N 3.39Å; A148-F151 PolarHBondContact O-N 3.5Å; A148-F151 VanDerWaalsContact O-N 3.12Å
149E92.8Very high93.6Very high148 Ų14837 Ų3769%0.69221%0.211SC*.G310 helixtrans-64-25.2178.6-64.3-171.8162.500113.2S146 R147 F151 I161 K328S146-E149 PolarHBondContact O-N 3.42Å; R147-E149 PolarHBondContact O-N 2.78Å; E149-F151 PolarHBondContact O-N 3.44Å; E149-I161 WeakPolarHBondContact O-CD1 3.23Å; E149-K328 PolarHBondContact O-NZ 2.92Å
150R93.7Very high93.7Very high114 Ų11438.4 Ų38.443%0.4322%0.217SC..G310 helixtrans-76.2-8.3177.9-63.3173.557-177.6-4.8113.7R147 A148 E160 I161R147-R150 WeakPolarHBondContact O-CB 3.06Å; R147-R150 PolarHBondContact O-N 3.39Å; A148-R150 PolarHBondContact O-N 3.39Å; R150-E160 IonicContact CZ-OE1 2.75Å; R150-E160 IonicContact NE-OE1 2.83Å; R150-E160 IonicContact NH2-OE1 3.18Å; R150-E160 PolarHBondContact NH2-OE1 3.1Å; R150-E160 WeakPolarHBondContact O-CA 3.33Å; R150-I161 PolarHBondContact O-N 3.2Å
151F95.1Very high93.7Very high6 Ų640.3 Ų40.33%0.02623%0.228CC..EExtended strand (participates in β ladder)trans-120.1152.7-175-62.2-78.5000112.7R140 R147 A148 E149 A158 Y159 E160 A366R140-F151 HydrophobicContact CB-CD2 4.32Å; R140-F151 HydrophobicContact CB-CG 4.47Å; R140-F151 HydrophobicContact CG-CD2 4.19Å; R140-F151 HydrophobicContact CG-CE2 4.39Å; R147-F151 WeakPolarHBondContact O-CD2 3.35Å; A148-F151 PolarHBondContact O-N 3.5Å; A148-F151 VanDerWaalsContact O-N 3.12Å; E149-F151 PolarHBondContact O-N 3.44Å; F151-A158 HydrophobicContact CB-CB 4.32Å; F151-A158 HydrophobicContact CD1-CB 4.02Å; F151-A158 HydrophobicContact CG-CB 4.3Å; F151-Y159 CarbonylContact C-O 3.54Å; F151-Y159 VanDerWaalsContact CA-O 3.3Å; F151-Y159 WeakPolarHBondContact CA-O 3.41Å; F151-E160 HydrophobicContact CD1-CB 4.28Å; F151-E160 HydrophobicContact CE1-CB 4.07Å; F151-E160 HydrophobicContact CE1-CG 4.36Å; F151-A366 HydrophobicContact CZ-CB 4.22Å
152C94.2Very high93.7Very high9 Ų941.2 Ų41.26%0.06123%0.232CC..EExtended strand (participates in β ladder)trans-117113161.9179.80000107.9Y159 W176 F202 K328C152-Y159 PolarHBondContact N-O 3.21Å; C152-Y159 PolarHBondContact O-N 3.35Å; C152-W176 HydrophobicContact CB-CE3 4.41Å; C152-W176 HydrophobicContact CB-CZ3 3.78Å; C152-F202 HydrophobicContact CB-CE1 4.39Å; C152-K328 HydrophobicContact CB-CB 4.5Å; C152-K328 HydrophobicContact CB-CG 4.46Å
153V93.5Very high93.4Very high16 Ų1646.5 Ų46.510%0.09728%0.275CS..EExtended strand (participates in β ladder)trans-92.5122.5-175.1-179.50000110.3R140 A141 S157 A158R140-V153 HydrophobicContact CB-CG2 4.14Å; R140-V153 WeakPolarHBondContact O-CG2 3.44Å; A141-V153 HydrophobicContact CB-CG2 4.14Å; V153-S157 CarbonylContact C-O 3.6Å; V153-S157 WeakPolarHBondContact CA-O 3.36Å; V153-A158 HydrophobicContact CG2-CB 4.11Å
154V90.7Very high93Very high43 Ų4354.5 Ų54.526%0.26130%0.297SS..EExtended strand (participates in β ladder)trans-130.9110.7176.5-174.90000108.8N156 S157 Y159 F202V154-N156 PolarHBondContact O-N 2.89Å; V154-S157 PolarHBondContact N-O 3.38Å; V154-S157 PolarHBondContact O-N 2.86Å; V154-S157 VanDerWaalsContact O-N 3.14Å; V154-Y159 HydrophobicContact CB-CD2 4.38Å; V154-Y159 HydrophobicContact CB-CE2 4.02Å; V154-Y159 HydrophobicContact CG2-CD2 4.26Å; V154-Y159 HydrophobicContact CG2-CE2 4.31Å; V154-F202 HydrophobicContact CG2-CZ 4.5Å
155G89Confident92.5Very high48 Ų4855.5 Ų55.550%0.49531%0.308SS..THydrogen-bonded Turntrans59.1-128.4-17000000110.7S157G155-S157 VanDerWaalsContact C-N 3.32Å
156N92.5Very high92.3Very high70 Ų7055.8 Ų55.837%0.37431%0.313SS..THydrogen-bonded Turntrans-89.64.9179.1-73.816.1000113.5V154 F180 T181V154-N156 PolarHBondContact O-N 2.89Å; N156-F180 HydrophobicContact CB-CD2 4.07Å; N156-F180 HydrophobicContact CB-CE2 3.75Å; N156-F180 HydrophobicContact CB-CZ 4.5Å; N156-T181 WeakPolarHBondContact CB-O 3.29Å; N156-T181 PolarHBondContact O-N 3.46Å; N156-T181 VanDerWaalsContact O-N 3.1Å
157S95.5Very high92.4Very high10 Ų1053.7 Ų53.77%0.0730%0.296CS..EExtended strand (participates in β ladder)trans-105.5133.9178.9-64.10000111.2V153 V154 G155 Y159 L179V153-S157 CarbonylContact C-O 3.6Å; V153-S157 WeakPolarHBondContact CA-O 3.36Å; V154-S157 PolarHBondContact N-O 3.38Å; V154-S157 PolarHBondContact O-N 2.86Å; V154-S157 VanDerWaalsContact O-N 3.14Å; G155-S157 VanDerWaalsContact C-N 3.32Å; S157-Y159 WeakPolarHBondContact CB-OH 3.34Å; S157-L179 CarbonylContact C-O 3.59Å; S157-L179 VanDerWaalsContact CA-O 3.29Å; S157-L179 WeakPolarHBondContact CA-O 3.45Å
158A95.6Very high92.5Very high1 Ų155.8 Ų55.81%0.00831%0.309CS..EExtended strand (participates in β ladder)trans-109108.1169.400000109.5R140 F151 V153 G178 L179R140-A158 HydrophobicContact CB-CB 4.05Å; R140-A158 VanDerWaalsContact CD-CB 3.45Å; R140-A158 HydrophobicContact CG-CB 4.28Å; F151-A158 HydrophobicContact CB-CB 4.32Å; F151-A158 HydrophobicContact CD1-CB 4.02Å; F151-A158 HydrophobicContact CG-CB 4.3Å; V153-A158 HydrophobicContact CG2-CB 4.11Å; A158-G178 CarbonylContact O-C 3.54Å; A158-G178 WeakPolarHBondContact O-CA 3.49Å; A158-L179 PolarHBondContact N-O 3.47Å; A158-L179 PolarHBondContact O-N 3.01Å
159Y96.4Very high92.6Very high11 Ų1155.3 Ų55.34%0.04330%0.304CS..EExtended strand (participates in β ladder)trans-87.1125.6179.4-61-78.6000110.1F151 C152 V154 S157 S198 A200 F202F151-Y159 CarbonylContact C-O 3.54Å; F151-Y159 VanDerWaalsContact CA-O 3.3Å; F151-Y159 WeakPolarHBondContact CA-O 3.41Å; C152-Y159 PolarHBondContact N-O 3.21Å; C152-Y159 PolarHBondContact O-N 3.35Å; V154-Y159 HydrophobicContact CB-CD2 4.38Å; V154-Y159 HydrophobicContact CB-CE2 4.02Å; V154-Y159 HydrophobicContact CG2-CD2 4.26Å; V154-Y159 HydrophobicContact CG2-CE2 4.31Å; S157-Y159 WeakPolarHBondContact CB-OH 3.34Å; Y159-S198 PolarHBondContact OH-OG 3.02Å; Y159-A200 HydrophobicContact CD1-CB 3.98Å; Y159-A200 HydrophobicContact CD2-CB 4.5Å; Y159-A200 HydrophobicContact CE1-CB 3.43Å; Y159-A200 VanDerWaalsContact CE1-CB 3.43Å; Y159-A200 HydrophobicContact CE2-CB 3.98Å; Y159-A200 HydrophobicContact CG-CB 4.49Å; Y159-A200 VanDerWaalsContact CZ-CB 3.42Å; Y159-F202 HydrophobicContact CD1-CE2 4.29Å; Y159-F202 HydrophobicContact CD2-CE2 4.03Å; Y159-F202 AromaticContact CD2-CZ 3.81Å; Y159-F202 HydrophobicContact CD2-CZ 3.81Å; Y159-F202 AromaticContact CG-CE2 3.81Å; Y159-F202 HydrophobicContact CG-CE2 3.81Å; Y159-F202 AromaticContact CG-CZ 3.98Å; Y159-F202 HydrophobicContact CG-CZ 3.98Å
160E95.3Very high92.7Very high30 Ų3051.4 Ų51.414%0.1429%0.285CS..EExtended strand (participates in β ladder)trans-71.3130.5177.4-169.2173.1-149.800109.3R150 F151 P162 R177 R365R150-E160 IonicContact CZ-OE1 2.75Å; R150-E160 IonicContact NE-OE1 2.83Å; R150-E160 IonicContact NH2-OE1 3.18Å; R150-E160 PolarHBondContact NH2-OE1 3.1Å; R150-E160 WeakPolarHBondContact O-CA 3.33Å; F151-E160 HydrophobicContact CD1-CB 4.28Å; F151-E160 HydrophobicContact CE1-CB 4.07Å; F151-E160 HydrophobicContact CE1-CG 4.36Å; E160-P162 WeakPolarHBondContact O-CD 3.34Å; E160-R177 PolarHBondContact N-O 3.34Å; E160-R365 IonicContact OE1-CZ 2.7Å; E160-R365 IonicContact OE1-NE 2.68Å; E160-R365 PolarHBondContact OE1-NE 3.37Å; E160-R365 IonicContact OE1-NH2 3.07Å; E160-R365 PolarHBondContact OE1-NH2 3.43Å; E160-R365 IonicContact OE2-CZ 2.73Å; E160-R365 VanDerWaalsContact OE2-CZ 3.23Å; E160-R365 IonicContact OE2-NE 2.92Å; E160-R365 PolarHBondContact OE2-NE 3.24Å; E160-R365 IonicContact OE2-NH2 3.85Å; E160-R365 PolarHBondContact OE2-NH2 3.12Å
161I95.7Very high92.8Very high47 Ų4747.6 Ų47.624%0.24127%0.273CS..PPolyproline II helixtrans-76.1122.7176.3-59.3154.3000107.2E149 R150 A163 W176 K328E149-I161 WeakPolarHBondContact O-CD1 3.23Å; R150-I161 PolarHBondContact O-N 3.2Å; I161-A163 PolarHBondContact O-N 3.22Å; I161-W176 HydrophobicContact CB-CH2 4.22Å; I161-W176 HydrophobicContact CB-CZ3 4.21Å; I161-W176 HydrophobicContact CG1-CE3 4.44Å; I161-W176 HydrophobicContact CG1-CH2 3.83Å; I161-W176 HydrophobicContact CG1-CZ3 3.58Å; I161-W176 HydrophobicContact CG2-CH2 3.97Å; I161-W176 HydrophobicContact CG2-CZ2 4.38Å; I161-W176 HydrophobicContact CG2-CZ3 4.46Å; I161-K328 HydrophobicContact CD1-CD 4.24Å; I161-K328 HydrophobicContact CD1-CG 4.48Å; I161-K328 VanDerWaalsContact CD1-NZ 3.33Å
162P93.1Very high92.8Very high36 Ų3647.3 Ų47.323%0.23427%0.272CS..PPolyproline II helixtrans-60.8134179.1-21.632.2000111.5E160 R164 W176E160-P162 WeakPolarHBondContact O-CD 3.34Å; P162-R164 PolarHBondContact O-N 3.24Å; P162-W176 HydrophobicContact CG-CD2 4.36Å; P162-W176 HydrophobicContact CG-CG 4.19Å
163A88Confident92.9Very high110 Ų11046.9 Ų46.991%0.90927%0.269SS*.SBendtrans-66.4-22.6178.200000113.6I161I161-A163 PolarHBondContact O-N 3.22Å
164R85.6Confident93Very high248 Ų24846.3 Ų46.394%0.93627%0.266SS*.SBendtrans-125.6-69.3176.2-65.9-176.6179.6-179.7-0.1110.9P162P162-R164 PolarHBondContact O-N 3.24Å
165S84.5Confident93.3Very high77 Ų7744.7 Ų44.754%0.53826%0.255SS..  trans-152.1147.7177.759.30000109.7
166G88.9Confident93.7Very high13 Ų1342.6 Ų42.613%0.13423%0.232CC..  trans-73.4-176.5170.700000111.6N168 E174G166-N168 PolarHBondContact O-N 3.09Å; G166-E174 PolarHBondContact N-OE2 3.29Å
167V94.6Very high93.8Very high57 Ų5743 Ų4335%0.34523%0.228SC..EExtended strand (participates in β ladder)trans-70.4119.4174.8-177.50000108.7L169 E174 L175 Q347V167-L169 PolarHBondContact O-N 2.72Å; V167-L169 VanDerWaalsContact O-N 3.16Å; V167-E174 CarbonylContact O-C 3.6Å; V167-E174 WeakPolarHBondContact O-CA 3.38Å; V167-L175 HydrophobicContact CB-CB 4.17Å; V167-L175 PolarHBondContact N-O 2.89Å; V167-L175 PolarHBondContact O-N 2.81Å; V167-Q347 HydrophobicContact CB-CG 4.18Å; V167-Q347 HydrophobicContact CG1-CG 3.91Å; V167-Q347 HydrophobicContact CG2-CG 3.87Å
168N95.1Very high93.8Very high67 Ų6742.5 Ų42.536%0.35823%0.225SC..EExtended strand (participates in β ladder)trans-64.3113.6-175.4-1742.7000111.4G166 K170 R204G166-N168 PolarHBondContact O-N 3.09Å; N168-K170 VanDerWaalsContact C-N 3.34Å; N168-K170 WeakPolarHBondContact OD1-CA 3.43Å; N168-K170 PolarHBondContact OD1-N 2.8Å; N168-R204 PolarHBondContact OD1-NH2 3.48Å
169L95.5Very high93.9Very high0 Ų042.4 Ų42.40%023%0.225CC..  trans-96.517.8172.9-60.4-177.1000112V167 V173 L175 A201 Q340 L343 V344V167-L169 PolarHBondContact O-N 2.72Å; V167-L169 VanDerWaalsContact O-N 3.16Å; L169-V173 HydrophobicContact CB-CB 4.2Å; L169-V173 HydrophobicContact CB-CG1 4.26Å; L169-V173 HydrophobicContact CD1-CG1 4.17Å; L169-V173 PolarHBondContact N-O 2.87Å; L169-L175 HydrophobicContact CD1-CB 3.9Å; L169-L175 HydrophobicContact CD1-CD1 4.21Å; L169-L175 HydrophobicContact CD2-CB 4.16Å; L169-L175 HydrophobicContact CG-CB 4.01Å; L169-A201 HydrophobicContact CD1-CB 4.08Å; L169-Q340 WeakPolarHBondContact O-CG 3.44Å; L169-Q340 PolarHBondContact O-NE2 3.01Å; L169-L343 HydrophobicContact CD2-CB 3.79Å; L169-V344 HydrophobicContact CD1-CG2 3.56Å; L169-V344 HydrophobicContact CD2-CG2 3.71Å; L169-V344 HydrophobicContact CG-CG2 4.3Å
170K94.6Very high93.9Very high66 Ų6644.7 Ų44.729%0.28724%0.235SC..SBendtrans57.6179.8-172.9-55.4-65-173.6163.10112.8N168 G172 V173 A218 F339 Q340 L343N168-K170 VanDerWaalsContact C-N 3.34Å; N168-K170 WeakPolarHBondContact OD1-CA 3.43Å; N168-K170 PolarHBondContact OD1-N 2.8Å; K170-G172 PolarHBondContact O-N 3.19Å; K170-V173 WeakPolarHBondContact O-CB 3.4Å; K170-V173 PolarHBondContact O-N 3.03Å; K170-A218 WeakPolarHBondContact CB-O 3.2Å; K170-F339 HydrophobicContact CB-CE1 4.27Å; K170-F339 HydrophobicContact CG-CD1 4.46Å; K170-F339 HydrophobicContact CG-CE1 3.54Å; K170-F339 HydrophobicContact CG-CZ 4.25Å; K170-Q340 PolarHBondContact O-NE2 2.85Å; K170-L343 HydrophobicContact CG-CD1 4.46Å
171L95Very high94Very high35 Ų3543.4 Ų43.418%0.18323%0.229CC..THydrogen-bonded Turntrans54.928.1178.5-60.2167.4000113.7V173 Y211 A218 T337L171-V173 PolarHBondContact O-N 2.81Å; L171-Y211 WeakPolarHBondContact O-CE2 3.05Å; L171-A218 HydrophobicContact CD2-CB 4.08Å; L171-T337 HydrophobicContact CD1-CG2 3.93Å
172G95.3Very high94.1Very high0 Ų041.2 Ų41.20%022%0.218CC..THydrogen-bonded Turntrans67.723.4-176.700000114.3K170 R204 Q206 D214K170-G172 PolarHBondContact O-N 3.19Å; G172-R204 PolarHBondContact O-N 3.47Å; G172-Q206 VanDerWaalsContact CA-NE2 3.35Å; G172-D214 VanDerWaalsContact CA-OD2 3.28Å; G172-D214 WeakPolarHBondContact CA-OD2 3.34Å; G172-D214 PolarHBondContact N-OD2 2.8Å
173V96.6Very high94.2Very high0 Ų039.7 Ų39.70%021%0.209CC..EExtended strand (participates in β ladder)trans-111.9145.2178.6-171.40000109.3L169 K170 L171 A201 F202 Y331L169-V173 HydrophobicContact CB-CB 4.2Å; L169-V173 HydrophobicContact CB-CG1 4.26Å; L169-V173 HydrophobicContact CD1-CG1 4.17Å; L169-V173 PolarHBondContact N-O 2.87Å; K170-V173 WeakPolarHBondContact O-CB 3.4Å; K170-V173 PolarHBondContact O-N 3.03Å; L171-V173 PolarHBondContact O-N 2.81Å; V173-A201 HydrophobicContact CG1-CB 3.8Å; V173-F202 CarbonylContact C-O 3.53Å; V173-F202 WeakPolarHBondContact CA-O 3.49Å; V173-F202 WeakPolarHBondContact CG1-O 3.4Å; V173-Y331 HydrophobicContact CB-CD2 4.47Å; V173-Y331 HydrophobicContact CG1-CD2 4.09Å; V173-Y331 HydrophobicContact CG1-CG 4.09Å; V173-Y331 HydrophobicContact CG2-CD2 3.46Å; V173-Y331 VanDerWaalsContact CG2-CD2 3.46Å; V173-Y331 HydrophobicContact CG2-CE2 3.48Å; V173-Y331 VanDerWaalsContact CG2-CE2 3.48Å; V173-Y331 HydrophobicContact CG2-CG 4.23Å
174E96.5Very high94.5Very high4 Ų439.6 Ų39.62%0.01919%0.185CC..EExtended strand (participates in β ladder)trans-135.2151.6173.755.6-179.9-153.200111.7G166 V167 W176 A201 F202 R204G166-E174 PolarHBondContact N-OE2 3.29Å; V167-E174 CarbonylContact O-C 3.6Å; V167-E174 WeakPolarHBondContact O-CA 3.38Å; E174-W176 PolarHBondContact OE1-NE1 3Å; E174-A201 CarbonylContact O-C 3.6Å; E174-A201 WeakPolarHBondContact O-CA 3.32Å; E174-F202 PolarHBondContact N-O 3.37Å; E174-F202 PolarHBondContact O-N 3.03Å; E174-R204 HydrophobicContact CG-CB 4.17Å; E174-R204 IonicContact OE2-NE 3.16Å
175L96.9Very high94.9Very high8 Ų829.5 Ų29.54%0.04215%0.151CC..EExtended strand (participates in β ladder)trans-92.3126.4177.3-168.366.7000109.6V167 L169 H199 V344 Q347V167-L175 HydrophobicContact CB-CB 4.17Å; V167-L175 PolarHBondContact N-O 2.89Å; V167-L175 PolarHBondContact O-N 2.81Å; L169-L175 HydrophobicContact CD1-CB 3.9Å; L169-L175 HydrophobicContact CD1-CD1 4.21Å; L169-L175 HydrophobicContact CD2-CB 4.16Å; L169-L175 HydrophobicContact CG-CB 4.01Å; L175-H199 HydrophobicContact CD1-CB 3.89Å; L175-H199 HydrophobicContact CD2-CB 4.29Å; L175-H199 HydrophobicContact CG-CB 4.16Å; L175-V344 HydrophobicContact CD1-CG1 4.29Å; L175-V344 HydrophobicContact CD1-CG2 4.05Å; L175-V344 HydrophobicContact CD2-CG1 4.39Å; L175-V344 HydrophobicContact CD2-CG2 4.46Å; L175-Q347 HydrophobicContact CD2-CB 3.99Å; L175-Q347 HydrophobicContact CD2-CG 3.92Å
176W96.5Very high95.1Very high5 Ų526.6 Ų26.62%0.01913%0.132CC..EExtended strand (participates in β ladder)trans-104.6139.4172.1-65.49.2000109.6C152 I161 P162 E174 H199 A200 F202 K328C152-W176 HydrophobicContact CB-CE3 4.41Å; C152-W176 HydrophobicContact CB-CZ3 3.78Å; I161-W176 HydrophobicContact CB-CH2 4.22Å; I161-W176 HydrophobicContact CB-CZ3 4.21Å; I161-W176 HydrophobicContact CG1-CE3 4.44Å; I161-W176 HydrophobicContact CG1-CH2 3.83Å; I161-W176 HydrophobicContact CG1-CZ3 3.58Å; I161-W176 HydrophobicContact CG2-CH2 3.97Å; I161-W176 HydrophobicContact CG2-CZ2 4.38Å; I161-W176 HydrophobicContact CG2-CZ3 4.46Å; P162-W176 HydrophobicContact CG-CD2 4.36Å; P162-W176 HydrophobicContact CG-CG 4.19Å; E174-W176 PolarHBondContact OE1-NE1 3Å; W176-H199 VanDerWaalsContact O-CA 3.28Å; W176-H199 WeakPolarHBondContact O-CA 3.42Å; W176-A200 PolarHBondContact N-O 3.37Å; W176-A200 PolarHBondContact O-N 2.99Å; W176-F202 HydrophobicContact CB-CD2 3.72Å; W176-F202 HydrophobicContact CB-CE2 3.93Å; W176-F202 HydrophobicContact CD2-CB 4.02Å; W176-F202 HydrophobicContact CD2-CD1 4.24Å; W176-F202 AromaticContact CD2-CD2 3.49Å; W176-F202 HydrophobicContact CD2-CD2 3.49Å; W176-F202 VanDerWaalsContact CD2-CD2 3.49Å; W176-F202 AromaticContact CD2-CE2 3.97Å; W176-F202 HydrophobicContact CD2-CE2 3.97Å; W176-F202 AromaticContact CD2-CG 3.65Å; W176-F202 HydrophobicContact CD2-CG 3.65Å; W176-F202 AromaticContact CE2-CG 3.89Å; W176-F202 AromaticContact CE3-CD1 4Å; W176-F202 HydrophobicContact CE3-CD1 4Å; W176-F202 AromaticContact CE3-CD2 3.73Å; W176-F202 HydrophobicContact CE3-CD2 3.73Å; W176-F202 HydrophobicContact CE3-CE1 4.05Å; W176-F202 AromaticContact CE3-CE2 3.77Å; W176-F202 HydrophobicContact CE3-CE2 3.77Å; W176-F202 AromaticContact CE3-CG 3.86Å; W176-F202 HydrophobicContact CE3-CG 3.86Å; W176-F202 AromaticContact CE3-CZ 3.94Å; W176-F202 HydrophobicContact CE3-CZ 3.94Å; W176-F202 HydrophobicContact CG-CB 4.29Å; W176-F202 AromaticContact CG-CD2 3.5Å; W176-F202 HydrophobicContact CG-CD2 3.5Å; W176-F202 HydrophobicContact CG-CE2 4.08Å; W176-F202 HydrophobicContact CG-CG 4.05Å; W176-F202 HydrophobicContact CH2-CD1 4.26Å; W176-F202 HydrophobicContact CH2-CG 4.48Å; W176-F202 HydrophobicContact CZ2-CB 4.16Å; W176-F202 HydrophobicContact CZ2-CD1 4.48Å; W176-F202 HydrophobicContact CZ2-CG 4.3Å; W176-F202 HydrophobicContact CZ3-CD1 4.01Å; W176-F202 HydrophobicContact CZ3-CE1 4.09Å; W176-F202 HydrophobicContact CZ3-CG 4.27Å; W176-F202 HydrophobicContact CZ3-CZ 4.38Å; W176-K328 HydrophobicContact CH2-CG 4.46Å
177R95.3Very high94.9Very high77 Ų7733.3 Ų33.329%0.29116%0.16SC..EExtended strand (participates in β ladder)trans-88144.8169.9-173.9177.2-66.2160.81.9109E160 V197 S198 H199 M358 M362E160-R177 PolarHBondContact N-O 3.34Å; R177-V197 HydrophobicContact CG-CG2 3.61Å; R177-S198 CarbonylContact C-O 3.6Å; R177-H199 PolarHBondContact NE-NE2 2.99Å; R177-M358 VanDerWaalsContact NH1-CE 3.28Å; R177-M358 PolarHBondContact NH1-SD 3.37Å; R177-M362 HydrophobicContact CG-SD 4.06Å
178G95.6Very high94.4Very high0 Ų033 Ų330%017%0.169CC..EExtended strand (participates in β ladder)trans-146.3169.8-179.600000112.9A158 S198A158-G178 CarbonylContact O-C 3.54Å; A158-G178 WeakPolarHBondContact O-CA 3.49Å; G178-S198 PolarHBondContact N-O 3.24Å; G178-S198 PolarHBondContact O-N 2.87Å
179L96.4Very high94Very high0 Ų033.5 Ų33.50%017%0.166CC..EExtended strand (participates in β ladder)trans-106.5117.9177.6177.765.2000108.6S157 A158 T181 I195 M362 A366 L368S157-L179 CarbonylContact C-O 3.59Å; S157-L179 VanDerWaalsContact CA-O 3.29Å; S157-L179 WeakPolarHBondContact CA-O 3.45Å; A158-L179 PolarHBondContact N-O 3.47Å; A158-L179 PolarHBondContact O-N 3.01Å; L179-T181 HydrophobicContact CD1-CG2 4.45Å; L179-T181 HydrophobicContact CD2-CG2 4.02Å; L179-T181 HydrophobicContact CG-CG2 3.86Å; L179-I195 HydrophobicContact CD1-CG2 3.66Å; L179-M362 HydrophobicContact CB-CB 4.28Å; L179-M362 HydrophobicContact CB-CE 4.01Å; L179-M362 HydrophobicContact CD1-CB 3.92Å; L179-A366 HydrophobicContact CD2-CB 3.55Å; L179-L368 HydrophobicContact CD2-CD1 3.38Å
180F97.6Very high93.6Very high58 Ų5838.2 Ų38.225%0.25418%0.184SC..EExtended strand (participates in β ladder)trans-89.7131.9167.8175-93000109.3N156 S182 D196N156-F180 HydrophobicContact CB-CD2 4.07Å; N156-F180 HydrophobicContact CB-CE2 3.75Å; N156-F180 HydrophobicContact CB-CZ 4.5Å; F180-S182 WeakPolarHBondContact CE1-OG 3.48Å; F180-D196 HydrophobicContact CB-CB 4.4Å; F180-D196 HydrophobicContact CD1-CB 4.31Å; F180-D196 PolarHBondContact N-O 2.95Å; F180-D196 PolarHBondContact O-N 3.42Å
181T96.9Very high93.5Very high4 Ų436.5 Ų36.53%0.02518%0.179CC..EExtended strand (participates in β ladder)trans-130.6129.7175.658.90000110.6R140 N156 L179 N194 I195 L368R140-T181 PolarHBondContact NH2-OG1 3.4Å; R140-T181 VanDerWaalsContact NH2-OG1 3.09Å; N156-T181 WeakPolarHBondContact CB-O 3.29Å; N156-T181 PolarHBondContact O-N 3.46Å; N156-T181 VanDerWaalsContact O-N 3.1Å; L179-T181 HydrophobicContact CD1-CG2 4.45Å; L179-T181 HydrophobicContact CD2-CG2 4.02Å; L179-T181 HydrophobicContact CG-CG2 3.86Å; T181-N194 WeakPolarHBondContact CA-O 3.14Å; T181-I195 HydrophobicContact CG2-CD1 3.58Å; T181-L368 HydrophobicContact CG2-CD1 4.04Å
182S96.9Very high93.5Very high0 Ų036 Ų360%018%0.177CC..EExtended strand (participates in β ladder)trans-144.7129.517072.10000112.9D133 F180 N194D133-S182 VanDerWaalsContact OD1-CA 3.29Å; D133-S182 WeakPolarHBondContact OD1-CA 3.32Å; F180-S182 WeakPolarHBondContact CE1-OG 3.48Å; S182-N194 PolarHBondContact N-O 3.34Å; S182-N194 PolarHBondContact O-N 3.39Å; S182-N194 WeakPolarHBondContact OG-CB 3.36Å
183A96.3Very high93.6Very high5 Ų536 Ų364%0.04118%0.177CC..EExtended strand (participates in β ladder)trans-69.4138.917300000111.2I129 V132 D133 L136 M192I129-A183 HydrophobicContact CG2-CB 4.15Å; I129-A183 WeakPolarHBondContact CG2-O 3.47Å; V132-A183 HydrophobicContact CB-CB 3.8Å; V132-A183 HydrophobicContact CG1-CB 3.58Å; D133-A183 PolarHBondContact OD1-N 2.98Å; L136-A183 HydrophobicContact CD1-CB 4.46Å; A183-M192 CarbonylContact C-O 3.43Å; A183-M192 WeakPolarHBondContact CA-O 3.05Å
184R95Very high93.6Very high108 Ų10837.5 Ų37.541%0.40818%0.184SC..EExtended strand (participates in β ladder)trans-146.1160.5179-64.1-64.6179.5-104.25.7109.5F5 M192F5-R184 HydrophobicContact CE1-CB 3.91Å; F5-R184 HydrophobicContact CE1-CG 3.89Å; F5-R184 HydrophobicContact CZ-CG 4.42Å; R184-M192 PolarHBondContact N-O 3.22Å; R184-M192 PolarHBondContact O-N 3.4Å; R184-M192 VanDerWaalsContact O-O 3.09Å
185V92.3Very high93.6Very high36 Ų3637.3 Ų37.322%0.21818%0.184CC..EExtended strand (participates in β ladder)trans-102.6123.4171.9-178.20000108.2F111 I129F111-V185 HydrophobicContact CB-CG1 4.42Å; F111-V185 HydrophobicContact CB-CG2 4.18Å; F111-V185 HydrophobicContact CD1-CG2 3.42Å; F111-V185 VanDerWaalsContact CD1-CG2 3.42Å; F111-V185 HydrophobicContact CE1-CG2 4.16Å; F111-V185 HydrophobicContact CG-CG2 4.12Å; I129-V185 HydrophobicContact CD1-CG2 4.1Å; I129-V185 HydrophobicContact CG1-CG2 4.27Å
186G89.7Confident93.6Very high15 Ų1538.7 Ų38.716%0.15519%0.191CC..  trans-95.3-175.1177.900000113.2Y189 R190G186-Y189 WeakPolarHBondContact O-CA 3.43Å; G186-Y189 PolarHBondContact O-N 2.93Å; G186-R190 PolarHBondContact N-O 3.22Å; G186-R190 PolarHBondContact O-N 2.91Å
187E83.9Confident93.6Very high155 Ų15538.6 Ų38.672%0.72419%0.191SC*.G310 helixtrans-54.3139.5174-175.7177.5-153.100111.7Y189 R190E187-Y189 PolarHBondContact O-N 3.29Å; E187-R190 PolarHBondContact O-NE 3.17Å
188G84.7Confident93.6Very high51 Ų5136.2 Ų36.253%0.52619%0.186SC..G310 helixtrans70.516.6-174.400000113.5R190G188-R190 PolarHBondContact O-N 3.42Å
189Y87.5Confident93.6Very high77 Ų7738 Ų3830%0.30219%0.194SC..G310 helixtrans65.427.8179-42.2-61.7000113.6F111 K112 G117 G119 G186 E187F111-Y189 WeakPolarHBondContact CB-O 3.37Å; F111-Y189 WeakPolarHBondContact O-CB 3.38Å; K112-Y189 HydrophobicContact CB-CD2 4.04Å; K112-Y189 HydrophobicContact CB-CG 4.13Å; K112-Y189 HydrophobicContact CD-CD2 3.79Å; K112-Y189 HydrophobicContact CG-CD2 3.56Å; K112-Y189 HydrophobicContact CG-CE2 4.28Å; K112-Y189 HydrophobicContact CG-CG 4.16Å; G117-Y189 WeakPolarHBondContact O-CE2 3.18Å; G119-Y189 PolarHBondContact N-OH 3.11Å; G186-Y189 WeakPolarHBondContact O-CA 3.43Å; G186-Y189 PolarHBondContact O-N 2.93Å; E187-Y189 PolarHBondContact O-N 3.29Å
190R87.1Confident93.5Very high99 Ų9938.3 Ų38.337%0.37420%0.197SC..  trans-75.8125.7179-69.7-179.2-69.6-177.9-0.3109.6G186 E187 G188 M192G186-R190 PolarHBondContact N-O 3.22Å; G186-R190 PolarHBondContact O-N 2.91Å; E187-R190 PolarHBondContact O-NE 3.17Å; G188-R190 PolarHBondContact O-N 3.42Å; R190-M192 PolarHBondContact O-N 2.97Å
191P92Very high93.5Very high29 Ų2936.2 Ų36.219%0.18819%0.19CC..EExtended strand (participates in β ladder)trans-69.5128.6171.629.5-32.6000109.3L8 F111L8-P191 HydrophobicContact CB-CB 4.01Å; L8-P191 HydrophobicContact CB-CG 4.18Å; L8-P191 WeakPolarHBondContact CB-O 3.4Å; L8-P191 HydrophobicContact CD2-CB 4.01Å; L8-P191 HydrophobicContact CD2-CG 4.41Å; L8-P191 PolarHBondContact N-O 3.31Å; F111-P191 HydrophobicContact CD2-CB 3.74Å; F111-P191 HydrophobicContact CD2-CG 3.91Å; F111-P191 HydrophobicContact CE2-CB 3.68Å; F111-P191 HydrophobicContact CE2-CG 4.07Å; F111-P191 HydrophobicContact CG-CB 4.26Å; F111-P191 HydrophobicContact CZ-CB 4.13Å
192M95.3Very high93.5Very high26 Ų2636 Ų3613%0.12819%0.189CC..EExtended strand (participates in β ladder)trans-127.8156.5179.9-56-169.9-56.900109.7F5 V6 A183 R184 R190 V386F5-M192 HydrophobicContact CB-CB 4.41Å; F5-M192 HydrophobicContact CB-CE 4.42Å; F5-M192 HydrophobicContact CB-SD 4.23Å; F5-M192 HydrophobicContact CD1-CB 3.73Å; F5-M192 HydrophobicContact CD1-CE 3.79Å; F5-M192 HydrophobicContact CD1-SD 4.46Å; F5-M192 HydrophobicContact CE1-CE 4.17Å; F5-M192 HydrophobicContact CG-CB 4.49Å; F5-M192 HydrophobicContact CG-CE 4.06Å; F5-M192 HydrophobicContact CG-SD 4.5Å; V6-M192 CarbonylContact O-C 3.53Å; V6-M192 WeakPolarHBondContact O-CA 3.48Å; A183-M192 CarbonylContact C-O 3.43Å; A183-M192 WeakPolarHBondContact CA-O 3.05Å; R184-M192 PolarHBondContact N-O 3.22Å; R184-M192 PolarHBondContact O-N 3.4Å; R184-M192 VanDerWaalsContact O-O 3.09Å; R190-M192 PolarHBondContact O-N 2.97Å; M192-V386 HydrophobicContact SD-CG2 4.44Å
193V96.9Very high93.5Very high0 Ų036.2 Ų36.20%019%0.19CC..EExtended strand (participates in β ladder)trans-115.8118.9172-171.20000107.9F5 V6 L8 L136 I195 I381F5-V193 WeakPolarHBondContact CA-O 3.42Å; V6-V193 HydrophobicContact CG2-CB 3.94Å; V6-V193 PolarHBondContact N-O 3.39Å; V6-V193 PolarHBondContact O-N 3.1Å; L8-V193 HydrophobicContact CB-CG2 4.25Å; L8-V193 HydrophobicContact CD1-CG2 4.1Å; L136-V193 HydrophobicContact CD1-CB 4.49Å; L136-V193 HydrophobicContact CD1-CG1 3.73Å; L136-V193 HydrophobicContact CD1-CG2 3.89Å; L136-V193 HydrophobicContact CD2-CG2 4.39Å; V193-I195 HydrophobicContact CB-CD1 4.38Å; V193-I195 HydrophobicContact CG1-CD1 3.57Å; V193-I195 HydrophobicContact CG1-CG1 4.18Å; V193-I195 PolarHBondContact O-N 3.29Å; V193-I381 HydrophobicContact CB-CD1 4.17Å; V193-I381 HydrophobicContact CG1-CD1 4.41Å; V193-I381 HydrophobicContact CG2-CD1 4.16Å
194N97.3Very high93.5Very high30 Ų3037.8 Ų37.816%0.1620%0.195CC..EExtended strand (participates in β ladder)trans-70.8120.4166.7-177.85000108.2N4 F5 T181 S182N4-N194 PolarHBondContact ND2-OD1 3.03Å; F5-N194 HydrophobicContact CD1-CB 4.02Å; F5-N194 HydrophobicContact CE1-CB 3.56Å; F5-N194 HydrophobicContact CZ-CB 3.87Å; T181-N194 WeakPolarHBondContact CA-O 3.14Å; S182-N194 PolarHBondContact N-O 3.34Å; S182-N194 PolarHBondContact O-N 3.39Å; S182-N194 WeakPolarHBondContact OG-CB 3.36Å
195I96.7Very high93.5Very high0 Ų035.2 Ų35.20%019%0.192CC..EExtended strand (participates in β ladder)trans-115.6119.5178.1-61.7-62.9000108.3N4 V6 L179 T181 V193 C359 M363 I381 F385N4-I195 WeakPolarHBondContact CB-O 3.37Å; N4-I195 PolarHBondContact ND2-O 3.39Å; N4-I195 PolarHBondContact O-N 3.47Å; V6-I195 HydrophobicContact CG2-CG1 3.72Å; L179-I195 HydrophobicContact CD1-CG2 3.66Å; T181-I195 HydrophobicContact CG2-CD1 3.58Å; V193-I195 HydrophobicContact CB-CD1 4.38Å; V193-I195 HydrophobicContact CG1-CD1 3.57Å; V193-I195 HydrophobicContact CG1-CG1 4.18Å; V193-I195 PolarHBondContact O-N 3.29Å; I195-C359 HydrophobicContact CG2-CB 4.27Å; I195-M363 HydrophobicContact CG1-SD 4.46Å; I195-M363 HydrophobicContact CG2-CB 4.36Å; I195-I381 HydrophobicContact CD1-CD1 4.35Å; I195-F385 HydrophobicContact CB-CE1 4.37Å
196D96.7Very high93.7Very high38 Ų3834.9 Ų34.920%0.20319%0.188CC..EExtended strand (participates in β ladder)trans-141152.6-179.6-159.617.2000113.2F180 R355 C359F180-D196 HydrophobicContact CB-CB 4.4Å; F180-D196 HydrophobicContact CD1-CB 4.31Å; F180-D196 PolarHBondContact N-O 2.95Å; F180-D196 PolarHBondContact O-N 3.42Å; D196-R355 IonicContact OD1-CZ 3.8Å; D196-R355 IonicContact OD1-NE 2.73Å; D196-R355 PolarHBondContact OD1-NE 3.33Å; D196-R355 IonicContact OD1-NH2 3.22Å; D196-R355 PolarHBondContact OD1-NH2 2.85Å; D196-R355 IonicContact OD2-CZ 3.53Å; D196-R355 IonicContact OD2-NE 2.7Å; D196-R355 IonicContact OD2-NH2 3.68Å; D196-R355 PolarHBondContact OD2-NH2 2.79Å; D196-C359 PolarHBondContact OD1-SG 3.4Å
197V96Very high94.1Very high3 Ų335.6 Ų35.62%0.01819%0.191CC..EExtended strand (participates in β ladder)trans-79.8124.3172.266.10000109.5R177 M350 R355 M358 C359R177-V197 HydrophobicContact CG-CG2 3.61Å; V197-M350 HydrophobicContact CG1-SD 4.33Å; V197-R355 HydrophobicContact CG1-CG 3.86Å; V197-R355 VanDerWaalsContact CG1-CZ 3.43Å; V197-R355 VanDerWaalsContact CG1-NH1 3.29Å; V197-R355 PolarHBondContact O-NH2 2.89Å; V197-M358 HydrophobicContact CB-CG 4.27Å; V197-M358 HydrophobicContact CG2-CG 3.95Å; V197-C359 PolarHBondContact N-SG 3.14Å; V197-C359 VanDerWaalsContact N-SG 3.36Å
198S94.9Very high94.8Very high26 Ų2628.2 Ų28.218%0.18216%0.156CC..EExtended strand (participates in β ladder)trans-111.3155.8175.5-168.60000110.2Y159 R177 G178Y159-S198 PolarHBondContact OH-OG 3.02Å; R177-S198 CarbonylContact C-O 3.6Å; G178-S198 PolarHBondContact N-O 3.24Å; G178-S198 PolarHBondContact O-N 2.87Å
199H95.3Very high95.4Very high38 Ų3826.2 Ų26.218%0.17613%0.133CC..EExtended strand (participates in β ladder)trans-133.9143.5171.6-60.683.2000109.4L175 W176 R177L175-H199 HydrophobicContact CD1-CB 3.89Å; L175-H199 HydrophobicContact CD2-CB 4.29Å; L175-H199 HydrophobicContact CG-CB 4.16Å; W176-H199 VanDerWaalsContact O-CA 3.28Å; W176-H199 WeakPolarHBondContact O-CA 3.42Å; R177-H199 PolarHBondContact NE-NE2 2.99Å
200A95.3Very high95.9Very high7 Ų725.9 Ų25.96%0.05814%0.137CC..EExtended strand (participates in β ladder)trans-146.4147.117400000111Y159 W176 F202Y159-A200 HydrophobicContact CD1-CB 3.98Å; Y159-A200 HydrophobicContact CD2-CB 4.5Å; Y159-A200 HydrophobicContact CE1-CB 3.43Å; Y159-A200 VanDerWaalsContact CE1-CB 3.43Å; Y159-A200 HydrophobicContact CE2-CB 3.98Å; Y159-A200 HydrophobicContact CG-CB 4.49Å; Y159-A200 VanDerWaalsContact CZ-CB 3.42Å; W176-A200 PolarHBondContact N-O 3.37Å; W176-A200 PolarHBondContact O-N 2.99Å; A200-F202 HydrophobicContact CB-CD2 4.43Å; A200-F202 HydrophobicContact CB-CE2 3.81Å; A200-F202 WeakPolarHBondContact O-CD2 3.36Å
201A96.7Very high96.5Very high13 Ų1321.4 Ų21.411%0.10712%0.12CC..EExtended strand (participates in β ladder)trans-80.6135.4176.100000110.6L169 V173 E174 Y331 L336L169-A201 HydrophobicContact CD1-CB 4.08Å; V173-A201 HydrophobicContact CG1-CB 3.8Å; E174-A201 CarbonylContact O-C 3.6Å; E174-A201 WeakPolarHBondContact O-CA 3.32Å; A201-Y331 WeakPolarHBondContact O-CB 3.3Å; A201-Y331 PolarHBondContact O-N 2.77Å; A201-L336 HydrophobicContact CB-CD2 4.08Å
202F97Very high96.7Very high0 Ų020.1 Ų20.10%011%0.111CC..EExtended strand (participates in β ladder)trans-127.4152.2175.7-73.7-99.5000109.5C152 V154 Y159 V173 E174 W176 A200 Q329 R330C152-F202 HydrophobicContact CB-CE1 4.39Å; V154-F202 HydrophobicContact CG2-CZ 4.5Å; Y159-F202 HydrophobicContact CD1-CE2 4.29Å; Y159-F202 HydrophobicContact CD2-CE2 4.03Å; Y159-F202 AromaticContact CD2-CZ 3.81Å; Y159-F202 HydrophobicContact CD2-CZ 3.81Å; Y159-F202 AromaticContact CG-CE2 3.81Å; Y159-F202 HydrophobicContact CG-CE2 3.81Å; Y159-F202 AromaticContact CG-CZ 3.98Å; Y159-F202 HydrophobicContact CG-CZ 3.98Å; V173-F202 CarbonylContact C-O 3.53Å; V173-F202 WeakPolarHBondContact CA-O 3.49Å; V173-F202 WeakPolarHBondContact CG1-O 3.4Å; E174-F202 PolarHBondContact N-O 3.37Å; E174-F202 PolarHBondContact O-N 3.03Å; W176-F202 HydrophobicContact CB-CD2 3.72Å; W176-F202 HydrophobicContact CB-CE2 3.93Å; W176-F202 HydrophobicContact CD2-CB 4.02Å; W176-F202 HydrophobicContact CD2-CD1 4.24Å; W176-F202 AromaticContact CD2-CD2 3.49Å; W176-F202 HydrophobicContact CD2-CD2 3.49Å; W176-F202 VanDerWaalsContact CD2-CD2 3.49Å; W176-F202 AromaticContact CD2-CE2 3.97Å; W176-F202 HydrophobicContact CD2-CE2 3.97Å; W176-F202 AromaticContact CD2-CG 3.65Å; W176-F202 HydrophobicContact CD2-CG 3.65Å; W176-F202 AromaticContact CE2-CG 3.89Å; W176-F202 AromaticContact CE3-CD1 4Å; W176-F202 HydrophobicContact CE3-CD1 4Å; W176-F202 AromaticContact CE3-CD2 3.73Å; W176-F202 HydrophobicContact CE3-CD2 3.73Å; W176-F202 HydrophobicContact CE3-CE1 4.05Å; W176-F202 AromaticContact CE3-CE2 3.77Å; W176-F202 HydrophobicContact CE3-CE2 3.77Å; W176-F202 AromaticContact CE3-CG 3.86Å; W176-F202 HydrophobicContact CE3-CG 3.86Å; W176-F202 AromaticContact CE3-CZ 3.94Å; W176-F202 HydrophobicContact CE3-CZ 3.94Å; W176-F202 HydrophobicContact CG-CB 4.29Å; W176-F202 AromaticContact CG-CD2 3.5Å; W176-F202 HydrophobicContact CG-CD2 3.5Å; W176-F202 HydrophobicContact CG-CE2 4.08Å; W176-F202 HydrophobicContact CG-CG 4.05Å; W176-F202 HydrophobicContact CH2-CD1 4.26Å; W176-F202 HydrophobicContact CH2-CG 4.48Å; W176-F202 HydrophobicContact CZ2-CB 4.16Å; W176-F202 HydrophobicContact CZ2-CD1 4.48Å; W176-F202 HydrophobicContact CZ2-CG 4.3Å; W176-F202 HydrophobicContact CZ3-CD1 4.01Å; W176-F202 HydrophobicContact CZ3-CE1 4.09Å; W176-F202 HydrophobicContact CZ3-CG 4.27Å; W176-F202 HydrophobicContact CZ3-CZ 4.38Å; A200-F202 HydrophobicContact CB-CD2 4.43Å; A200-F202 HydrophobicContact CB-CE2 3.81Å; A200-F202 WeakPolarHBondContact O-CD2 3.36Å; F202-Q329 WeakPolarHBondContact CA-O 3.5Å; F202-Q329 VanDerWaalsContact CD1-C 3.47Å; F202-Q329 WeakPolarHBondContact CD1-O 3.24Å; F202-R330 HydrophobicContact CD1-CB 4.29Å; F202-R330 HydrophobicContact CE1-CB 4.01Å; F202-R330 HydrophobicContact CZ-CB 4.43Å
203Y96.9Very high96.9Very high4 Ų419.3 Ų19.32%0.01611%0.108CC..EExtended strand (participates in β ladder)trans-69134.4166.6-67.6-82.4000109.2Y211 L251 Q329 Y331 A333Y203-Y211 HydrophobicContact CD1-CE2 4.14Å; Y203-Y211 HydrophobicContact CE1-CE2 4.43Å; Y203-L251 HydrophobicContact CD1-CD1 3.55Å; Y203-L251 HydrophobicContact CD2-CD1 3.98Å; Y203-L251 HydrophobicContact CE1-CD1 3.6Å; Y203-L251 HydrophobicContact CE2-CD1 4.02Å; Y203-L251 HydrophobicContact CG-CD1 3.74Å; Y203-Q329 HydrophobicContact CD2-CB 4.03Å; Y203-Q329 HydrophobicContact CD2-CG 3.65Å; Y203-Q329 HydrophobicContact CE2-CG 4.07Å; Y203-Q329 PolarHBondContact N-O 2.9Å; Y203-Y331 AromaticContact CD1-CD2 3.99Å; Y203-Y331 HydrophobicContact CD1-CD2 3.99Å; Y203-Y331 HydrophobicContact CD1-CE2 4.45Å; Y203-Y331 HydrophobicContact CD2-CD2 4.4Å; Y203-Y331 AromaticContact CE1-CD2 3.45Å; Y203-Y331 HydrophobicContact CE1-CD2 3.45Å; Y203-Y331 VanDerWaalsContact CE1-CD2 3.45Å; Y203-Y331 AromaticContact CE1-CE2 3.63Å; Y203-Y331 HydrophobicContact CE1-CE2 3.63Å; Y203-Y331 AromaticContact CE2-CD2 3.92Å; Y203-Y331 HydrophobicContact CE2-CD2 3.92Å; Y203-Y331 HydrophobicContact CG-CD2 4.44Å; Y203-Y331 AromaticContact CZ-CD2 3.41Å; Y203-Y331 VanDerWaalsContact CZ-CD2 3.41Å; Y203-Y331 AromaticContact CZ-CE2 3.78Å; Y203-A333 WeakPolarHBondContact OH-CB 3.47Å
204R96.6Very high96.9Very high38 Ų3820.9 Ų20.914%0.14312%0.117CC..  trans-66.4130.2174.6-178.6-177.5-61.213612.9109.4N168 G172 E174 Q206 D214N168-R204 PolarHBondContact OD1-NH2 3.48Å; G172-R204 PolarHBondContact O-N 3.47Å; E174-R204 HydrophobicContact CG-CB 4.17Å; E174-R204 IonicContact OE2-NE 3.16Å; R204-Q206 PolarHBondContact O-N 3.29Å; R204-D214 IonicContact NH1-OD2 2.67Å; R204-D214 PolarHBondContact NH1-OD2 2.88Å
205P95Very high96.8Very high55 Ų5519.9 Ų19.936%0.35711%0.112SC..  trans-64.2113.2167.2-1932.4000110.3E327P205-E327 HydrophobicContact CB-CG 3.87Å; P205-E327 HydrophobicContact CG-CB 4.48Å; P205-E327 HydrophobicContact CG-CG 3.91Å
206Q96.7Very high96.9Very high28 Ų2820.8 Ų20.813%0.13112%0.117CC..  trans-161170.3-179.959.7-175.8-25.600111.2G172 R204 N210 D214 N324 V325G172-Q206 VanDerWaalsContact CA-NE2 3.35Å; R204-Q206 PolarHBondContact O-N 3.29Å; Q206-N210 HydrophobicContact CB-CB 4.29Å; Q206-N210 HydrophobicContact CG-CB 4.36Å; Q206-D214 PolarHBondContact NE2-OD2 2.86Å; Q206-D214 PolarHBondContact OE1-OD2 2.81Å; Q206-N324 CarbonylContact O-C 3.57Å; Q206-N324 WeakPolarHBondContact O-CA 3.24Å; Q206-V325 HydrophobicContact CG-CG2 4.25Å; Q206-V325 PolarHBondContact O-N 3.2Å
207S98Very high96.9Very high30 Ų3019.7 Ų19.721%0.2111%0.111CC..BIsolated β-bridgetrans-62.5148.9169.569.80000110.8L209 N210 Y211 N324S207-L209 PolarHBondContact O-N 3.01Å; S207-N210 PolarHBondContact O-N 2.96Å; S207-N210 VanDerWaalsContact O-N 3.16Å; S207-N210 WeakPolarHBondContact OG-CB 3.42Å; S207-N210 PolarHBondContact OG-N 2.9Å; S207-N210 VanDerWaalsContact OG-N 3.14Å; S207-N210 PolarHBondContact OG-ND2 2.91Å; S207-Y211 PolarHBondContact O-N 3.36Å; S207-N324 WeakPolarHBondContact CA-OD1 3.29Å
208V98.4Very high96.8Very high0 Ų021.2 Ų21.20%012%0.124CC..Hα-helixtrans-64.7-28.7176.3171.20000111.1Y211 I212 V253 L307 V320 C323 V325V208-Y211 WeakPolarHBondContact O-CB 3.41Å; V208-Y211 PolarHBondContact O-N 2.82Å; V208-I212 HydrophobicContact CG1-CD1 4Å; V208-I212 HydrophobicContact CG1-CG1 4.3Å; V208-I212 WeakPolarHBondContact O-CB 3.29Å; V208-I212 VanDerWaalsContact O-CG1 3.3Å; V208-I212 WeakPolarHBondContact O-CG1 3.4Å; V208-I212 PolarHBondContact O-N 3.14Å; V208-V253 HydrophobicContact CG2-CG1 3.84Å; V208-L307 HydrophobicContact CG1-CD1 4.1Å; V208-L307 HydrophobicContact CG1-CD2 4.37Å; V208-L307 HydrophobicContact CG2-CD1 4.16Å; V208-V320 HydrophobicContact CG1-CB 3.93Å; V208-V320 HydrophobicContact CG1-CG1 3.86Å; V208-C323 HydrophobicContact CB-CB 4Å; V208-C323 HydrophobicContact CG2-CB 3.51Å; V208-C323 WeakPolarHBondContact CG2-O 3.42Å; V208-C323 PolarHBondContact N-O 3.22Å; V208-V325 HydrophobicContact CG2-CG2 4.34Å
209L98.2Very high96.6Very high9 Ų924 Ų245%0.04714%0.137CC..Hα-helixtrans-58.7-49.7170.7-69.4173.5000111.8S207 Y211 I212 C213 V227 I230 Y301 M304 V320 E321S207-L209 PolarHBondContact O-N 3.01Å; L209-Y211 VanDerWaalsContact C-N 3.32Å; L209-Y211 PolarHBondContact O-N 3.4Å; L209-I212 WeakPolarHBondContact O-CB 3.49Å; L209-I212 PolarHBondContact O-N 2.9Å; L209-C213 PolarHBondContact O-N 3.02Å; L209-C213 PolarHBondContact O-SG 2.87Å; L209-V227 HydrophobicContact CB-CG1 4.34Å; L209-V227 HydrophobicContact CB-CG2 3.9Å; L209-V227 HydrophobicContact CD1-CG1 4.49Å; L209-I230 HydrophobicContact CB-CD1 4.45Å; L209-I230 HydrophobicContact CD2-CD1 3.96Å; L209-Y301 HydrophobicContact CD1-CD2 3.85Å; L209-Y301 HydrophobicContact CD1-CE2 3.72Å; L209-M304 HydrophobicContact CD2-CE 3.89Å; L209-V320 HydrophobicContact CD2-CB 4.32Å; L209-V320 HydrophobicContact CD2-CG2 3.62Å; L209-V320 HydrophobicContact CG-CG2 4.48Å; L209-E321 HydrophobicContact CD1-CB 4.31Å; L209-E321 HydrophobicContact CD1-CG 4.34Å
210N97.8Very high96.5Very high70 Ų7029.1 Ų29.137%0.37415%0.154SC..Hα-helixtrans-62.3-40.6175.5-81.5-39.5000111.5Q206 S207 I212 C213 D214 V227Q206-N210 HydrophobicContact CB-CB 4.29Å; Q206-N210 HydrophobicContact CG-CB 4.36Å; S207-N210 PolarHBondContact O-N 2.96Å; S207-N210 VanDerWaalsContact O-N 3.16Å; S207-N210 WeakPolarHBondContact OG-CB 3.42Å; S207-N210 PolarHBondContact OG-N 2.9Å; S207-N210 VanDerWaalsContact OG-N 3.14Å; S207-N210 PolarHBondContact OG-ND2 2.91Å; N210-I212 VanDerWaalsContact C-N 3.34Å; N210-I212 PolarHBondContact O-N 2.83Å; N210-C213 PolarHBondContact O-N 2.97Å; N210-D214 PolarHBondContact O-N 3.34Å; N210-V227 HydrophobicContact CB-CG2 4.3Å; N210-V227 WeakPolarHBondContact OD1-CG2 3.47Å
211Y98Very high96.2Very high5 Ų534.1 Ų34.12%0.0219%0.189CC..Hα-helixtrans-60.1-41.8175.4-178.5-104.5000112.5L171 Y203 S207 V208 L209 D214 V215 A247 V248 L251 V325L171-Y211 WeakPolarHBondContact O-CE2 3.05Å; Y203-Y211 HydrophobicContact CD1-CE2 4.14Å; Y203-Y211 HydrophobicContact CE1-CE2 4.43Å; S207-Y211 PolarHBondContact O-N 3.36Å; V208-Y211 WeakPolarHBondContact O-CB 3.41Å; V208-Y211 PolarHBondContact O-N 2.82Å; L209-Y211 VanDerWaalsContact C-N 3.32Å; L209-Y211 PolarHBondContact O-N 3.4Å; Y211-D214 WeakPolarHBondContact O-CB 3.46Å; Y211-D214 PolarHBondContact O-N 2.83Å; Y211-V215 HydrophobicContact CD1-CG2 4.23Å; Y211-V215 HydrophobicContact CD2-CG2 4.44Å; Y211-V215 HydrophobicContact CE1-CG2 3.75Å; Y211-V215 HydrophobicContact CE2-CG2 3.97Å; Y211-V215 VanDerWaalsContact O-CG2 3.29Å; Y211-V215 WeakPolarHBondContact O-CG2 3.3Å; Y211-V215 PolarHBondContact O-N 2.86Å; Y211-A247 HydrophobicContact CE1-CB 4.32Å; Y211-A247 PolarHBondContact OH-O 3.17Å; Y211-V248 HydrophobicContact CD1-CG1 4.31Å; Y211-V248 HydrophobicContact CE1-CG1 4Å; Y211-L251 HydrophobicContact CD1-CD2 4.07Å; Y211-L251 HydrophobicContact CE1-CD2 3.88Å; Y211-V325 HydrophobicContact CD2-CG2 4.27Å; Y211-V325 HydrophobicContact CG-CG2 4.04Å
212I97.9Very high96Very high2 Ų238.8 Ų38.81%0.0122%0.218CC..Hα-helixtrans-60.9-47.7175.1-75.1168.4000110.3V208 L209 N210 D214 V215 L216 L236 I244 M304 V320V208-I212 HydrophobicContact CG1-CD1 4Å; V208-I212 HydrophobicContact CG1-CG1 4.3Å; V208-I212 WeakPolarHBondContact O-CB 3.29Å; V208-I212 VanDerWaalsContact O-CG1 3.3Å; V208-I212 WeakPolarHBondContact O-CG1 3.4Å; V208-I212 PolarHBondContact O-N 3.14Å; L209-I212 WeakPolarHBondContact O-CB 3.49Å; L209-I212 PolarHBondContact O-N 2.9Å; N210-I212 VanDerWaalsContact C-N 3.34Å; N210-I212 PolarHBondContact O-N 2.83Å; I212-D214 PolarHBondContact O-N 3.14Å; I212-V215 PolarHBondContact O-N 3.1Å; I212-L216 HydrophobicContact CG2-CD1 3.98Å; I212-L216 HydrophobicContact CG2-CG 4.4Å; I212-L216 WeakPolarHBondContact O-CG 3.5Å; I212-L216 PolarHBondContact O-N 2.68Å; I212-L236 HydrophobicContact CG2-CD1 4.24Å; I212-I244 HydrophobicContact CB-CD1 4.24Å; I212-I244 HydrophobicContact CD1-CG2 4.31Å; I212-I244 HydrophobicContact CG1-CD1 4.18Å; I212-I244 HydrophobicContact CG1-CG1 4.34Å; I212-I244 HydrophobicContact CG1-CG2 3.89Å; I212-I244 HydrophobicContact CG2-CD1 3.97Å; I212-I244 HydrophobicContact CG2-CG1 4.11Å; I212-M304 HydrophobicContact CD1-CE 4.47Å; I212-V320 HydrophobicContact CD1-CB 4.02Å; I212-V320 HydrophobicContact CD1-CG1 3.69Å; I212-V320 HydrophobicContact CD1-CG2 4.32Å
213C97.8Very high95.9Very high9 Ų943 Ų436%0.06125%0.246CC..Hα-helixtrans-58.4-46.9175.7-65.80000111.5L209 N210 V215 L216 N217L209-C213 PolarHBondContact O-N 3.02Å; L209-C213 PolarHBondContact O-SG 2.87Å; N210-C213 PolarHBondContact O-N 2.97Å; C213-V215 VanDerWaalsContact C-N 3.31Å; C213-V215 PolarHBondContact O-N 3.03Å; C213-L216 PolarHBondContact O-N 3.05Å; C213-N217 VanDerWaalsContact O-CB 3.23Å; C213-N217 WeakPolarHBondContact O-CB 3.42Å; C213-N217 PolarHBondContact O-N 3.32Å; C213-N217 PolarHBondContact O-ND2 2.87Å
214D97.1Very high95.8Very high33 Ų3350.3 Ų50.318%0.17627%0.273CS..Hα-helixtrans-57.1-42.4176.8-87.5-16.3000112.4G172 R204 Q206 N210 Y211 I212 A218G172-D214 VanDerWaalsContact CA-OD2 3.28Å; G172-D214 WeakPolarHBondContact CA-OD2 3.34Å; G172-D214 PolarHBondContact N-OD2 2.8Å; R204-D214 IonicContact NH1-OD2 2.67Å; R204-D214 PolarHBondContact NH1-OD2 2.88Å; Q206-D214 PolarHBondContact NE2-OD2 2.86Å; Q206-D214 PolarHBondContact OE1-OD2 2.81Å; N210-D214 PolarHBondContact O-N 3.34Å; Y211-D214 WeakPolarHBondContact O-CB 3.46Å; Y211-D214 PolarHBondContact O-N 2.83Å; I212-D214 PolarHBondContact O-N 3.14Å; D214-A218 PolarHBondContact O-N 3.37Å; D214-A218 VanDerWaalsContact O-N 3.13Å
215V96.6Very high95.7Very high9 Ų950.9 Ų50.96%0.05528%0.276CS..Hα-helixtrans-69.6-44.5179.6171.60000111.4Y211 I212 C213 A218 I243 I244 A247Y211-V215 HydrophobicContact CD1-CG2 4.23Å; Y211-V215 HydrophobicContact CD2-CG2 4.44Å; Y211-V215 HydrophobicContact CE1-CG2 3.75Å; Y211-V215 HydrophobicContact CE2-CG2 3.97Å; Y211-V215 VanDerWaalsContact O-CG2 3.29Å; Y211-V215 WeakPolarHBondContact O-CG2 3.3Å; Y211-V215 PolarHBondContact O-N 2.86Å; I212-V215 PolarHBondContact O-N 3.1Å; C213-V215 VanDerWaalsContact C-N 3.31Å; C213-V215 PolarHBondContact O-N 3.03Å; V215-A218 PolarHBondContact O-N 3.28Å; V215-I243 HydrophobicContact CG1-CG2 3.8Å; V215-I244 HydrophobicContact CB-CD1 3.77Å; V215-I244 HydrophobicContact CG1-CD1 3.6Å; V215-A247 HydrophobicContact CB-CB 4.43Å; V215-A247 HydrophobicContact CG1-CB 3.69Å; V215-A247 HydrophobicContact CG2-CB 3.89Å
216L97.2Very high95.8Very high20 Ų2050.4 Ų50.411%0.10527%0.274CS..Hα-helixtrans-70.3-32179.6-66.4-179.3000112.7I212 C213 A218 Y225 L236 E240 I243 I244I212-L216 HydrophobicContact CG2-CD1 3.98Å; I212-L216 HydrophobicContact CG2-CG 4.4Å; I212-L216 WeakPolarHBondContact O-CG 3.5Å; I212-L216 PolarHBondContact O-N 2.68Å; C213-L216 PolarHBondContact O-N 3.05Å; L216-A218 VanDerWaalsContact C-N 3.33Å; L216-Y225 HydrophobicContact CB-CD2 3.59Å; L216-Y225 HydrophobicContact CB-CE2 3.67Å; L216-Y225 HydrophobicContact CB-CG 4.22Å; L216-Y225 HydrophobicContact CD1-CD1 4.25Å; L216-Y225 HydrophobicContact CD1-CD2 4.43Å; L216-Y225 HydrophobicContact CD1-CE1 4.14Å; L216-Y225 HydrophobicContact CD1-CE2 4.37Å; L216-Y225 HydrophobicContact CD1-CG 4.4Å; L216-L236 HydrophobicContact CD1-CD2 4.05Å; L216-E240 HydrophobicContact CD1-CB 4.44Å; L216-E240 HydrophobicContact CD1-CG 4.38Å; L216-E240 HydrophobicContact CD2-CB 3.92Å; L216-E240 HydrophobicContact CD2-CG 3.97Å; L216-I243 HydrophobicContact CD2-CB 4.44Å; L216-I243 HydrophobicContact CD2-CG2 4.29Å; L216-I244 HydrophobicContact CD2-CD1 3.79Å; L216-I244 HydrophobicContact CD2-CG1 4.02Å; L216-I244 HydrophobicContact CG-CD1 3.84Å; L216-I244 HydrophobicContact CG-CG1 4.32Å
217N96.9Very high95.7Very high14 Ų1450.2 Ų50.28%0.07528%0.275CS..Hα-helixtrans-70.8-29.9173.6-74.8-34.5000112.3C213 D219 R220 P223 R224 Y225C213-N217 VanDerWaalsContact O-CB 3.23Å; C213-N217 WeakPolarHBondContact O-CB 3.42Å; C213-N217 PolarHBondContact O-N 3.32Å; C213-N217 PolarHBondContact O-ND2 2.87Å; N217-D219 PolarHBondContact O-N 2.84Å; N217-R220 WeakPolarHBondContact O-CB 3.47Å; N217-R220 VanDerWaalsContact O-CG 3.26Å; N217-R220 WeakPolarHBondContact O-CG 3.16Å; N217-R220 PolarHBondContact O-N 3.42Å; N217-P223 HydrophobicContact CB-CB 4.45Å; N217-P223 WeakPolarHBondContact ND2-CB 3.44Å; N217-R224 PolarHBondContact OD1-N 2.75Å; N217-Y225 PolarHBondContact ND2-O 2.73Å; N217-Y225 WeakPolarHBondContact OD1-CD2 3.43Å; N217-Y225 PolarHBondContact OD1-N 3.36Å
218A94.2Very high95.6Very high36 Ų3656 Ų5630%0.29830%0.303SS..THydrogen-bonded Turntrans51.7-118.9-174.900000112.1K170 L171 D214 V215 L216K170-A218 WeakPolarHBondContact CB-O 3.2Å; L171-A218 HydrophobicContact CD2-CB 4.08Å; D214-A218 PolarHBondContact O-N 3.37Å; D214-A218 VanDerWaalsContact O-N 3.13Å; V215-A218 PolarHBondContact O-N 3.28Å; L216-A218 VanDerWaalsContact C-N 3.33Å
219D91.1Very high95.5Very high85 Ų8562 Ų6246%0.45533%0.331SS..THydrogen-bonded Turntrans-101.85.1177.162.4-17000113.5N217 F339N217-D219 PolarHBondContact O-N 2.84Å; D219-F339 HydrophobicContact CB-CD1 3.83Å; D219-F339 HydrophobicContact CB-CD2 4.04Å; D219-F339 HydrophobicContact CB-CE1 3.83Å; D219-F339 HydrophobicContact CB-CE2 4.03Å; D219-F339 HydrophobicContact CB-CG 3.93Å; D219-F339 HydrophobicContact CB-CZ 3.94Å
220R92.5Very high95.4Very high145 Ų14562.6 Ų62.655%0.54733%0.334SS..  trans-58.4140.7-179.2-65.7180-179.8-139.50.4111.9N217N217-R220 WeakPolarHBondContact O-CB 3.47Å; N217-R220 VanDerWaalsContact O-CG 3.26Å; N217-R220 WeakPolarHBondContact O-CG 3.16Å; N217-R220 PolarHBondContact O-N 3.42Å
221S89.5Confident95.3Very high112 Ų11265 Ų6578%0.78334%0.343SS*.SBendtrans-141.9112.1173.8-170.70000108.7
222P93Very high95.2Very high110 Ų11068.2 Ų68.271%0.71437%0.366SS*.SBendcis-72.9161.64.431.5-36.1000113.9
223P93.6Very high95.1Very high90 Ų9072.2 Ų72.258%0.58439%0.388SS*.  trans-65.7146.7173.228.3-34.1000111.4N217N217-P223 HydrophobicContact CB-CB 4.45Å; N217-P223 WeakPolarHBondContact ND2-CB 3.44Å
224R94.6Very high95Very high156 Ų15673.7 Ų73.759%0.58940%0.396SS*.SBendtrans-90.5-33.7176.5-179.9178.3-178.6-160.47.2112.7N217N217-R224 PolarHBondContact OD1-N 2.75Å
225Y96Very high94.9Very high50 Ų5077.7 Ų77.720%0.19641%0.409CS..  trans-113.5135.2-176-56.4-92.1000110.4L216 N217 E240L216-Y225 HydrophobicContact CB-CD2 3.59Å; L216-Y225 HydrophobicContact CB-CE2 3.67Å; L216-Y225 HydrophobicContact CB-CG 4.22Å; L216-Y225 HydrophobicContact CD1-CD1 4.25Å; L216-Y225 HydrophobicContact CD1-CD2 4.43Å; L216-Y225 HydrophobicContact CD1-CE1 4.14Å; L216-Y225 HydrophobicContact CD1-CE2 4.37Å; L216-Y225 HydrophobicContact CD1-CG 4.4Å; N217-Y225 PolarHBondContact ND2-O 2.73Å; N217-Y225 WeakPolarHBondContact OD1-CD2 3.43Å; N217-Y225 PolarHBondContact OD1-N 3.36Å; Y225-E240 WeakPolarHBondContact CE1-OE1 3Å; Y225-E240 VanDerWaalsContact CZ-OE1 3.22Å; Y225-E240 PolarHBondContact OH-OE1 2.65Å
226S96Very high94.8Very high46 Ų4678 Ų7832%0.32241%0.41SS..  trans-130150.4166.6-178.30000109.9D228 Q229S226-D228 PolarHBondContact O-N 3.03Å; S226-D228 PolarHBondContact OG-N 3.4Å; S226-Q229 PolarHBondContact O-N 3.24Å
227V96.1Very high94.7Very high24 Ų2480 Ų8015%0.14543%0.426CS..G310 helixtrans-63.2-32.1176.3172.10000111.7L209 N210 Q229 I230L209-V227 HydrophobicContact CB-CG1 4.34Å; L209-V227 HydrophobicContact CB-CG2 3.9Å; L209-V227 HydrophobicContact CD1-CG1 4.49Å; N210-V227 HydrophobicContact CB-CG2 4.3Å; N210-V227 WeakPolarHBondContact OD1-CG2 3.47Å; V227-Q229 PolarHBondContact O-N 2.75Å; V227-Q229 VanDerWaalsContact O-N 3.16Å; V227-I230 HydrophobicContact CB-CD1 4.42Å; V227-I230 HydrophobicContact CG1-CD1 4.43Å; V227-I230 HydrophobicContact CG2-CD1 4.26Å; V227-I230 WeakPolarHBondContact O-CB 3.3Å; V227-I230 WeakPolarHBondContact O-CG1 3.4Å; V227-I230 PolarHBondContact O-N 3.48Å
228D95.7Very high94.6Very high152 Ų15286 Ų8681%0.81346%0.458SS*.G310 helixtrans-66.2-18179.1-54.5-42.9000113.2S226S226-D228 PolarHBondContact O-N 3.03Å; S226-D228 PolarHBondContact OG-N 3.4Å
229Q95Very high94.8Very high126 Ų12686.4 Ų86.459%0.58947%0.466SS*.G310 helixtrans-91.3-6.4177.5-64.4172-19.700112.6S226 V227 Q231S226-Q229 PolarHBondContact O-N 3.24Å; V227-Q229 PolarHBondContact O-N 2.75Å; V227-Q229 VanDerWaalsContact O-N 3.16Å; Q229-Q231 PolarHBondContact O-N 2.92Å
230I95.8Very high95Very high20 Ų2083.8 Ų83.810%0.10345%0.451CS..  trans-74.8121.9178.8-56.5178.3000108.4L209 V227 T234 Y301 M304L209-I230 HydrophobicContact CB-CD1 4.45Å; L209-I230 HydrophobicContact CD2-CD1 3.96Å; V227-I230 HydrophobicContact CB-CD1 4.42Å; V227-I230 HydrophobicContact CG1-CD1 4.43Å; V227-I230 HydrophobicContact CG2-CD1 4.26Å; V227-I230 WeakPolarHBondContact O-CB 3.3Å; V227-I230 WeakPolarHBondContact O-CG1 3.4Å; V227-I230 PolarHBondContact O-N 3.48Å; I230-T234 HydrophobicContact CG2-CG2 4.38Å; I230-Y301 HydrophobicContact CB-CD1 4.38Å; I230-Y301 HydrophobicContact CB-CE1 4.23Å; I230-Y301 HydrophobicContact CG2-CD1 3.54Å; I230-Y301 HydrophobicContact CG2-CD2 4.4Å; I230-Y301 HydrophobicContact CG2-CE1 3.88Å; I230-Y301 HydrophobicContact CG2-CG 3.81Å; I230-Y301 WeakPolarHBondContact O-CE1 3.38Å; I230-M304 HydrophobicContact CD1-CE 4.32Å; I230-M304 HydrophobicContact CG2-CG 4.13Å; I230-M304 HydrophobicContact CG2-SD 4.34Å
231Q96.6Very high95.2Very high120 Ų12078.8 Ų78.856%0.56144%0.435SS*.  trans-110.3167.8177.1-63.5-175.8-3.900110.4Q229 N233 T234Q229-Q231 PolarHBondContact O-N 2.92Å; Q231-N233 WeakPolarHBondContact CB-OD1 3.45Å; Q231-N233 PolarHBondContact O-N 2.83Å; Q231-N233 PolarHBondContact OE1-OD1 3.11Å; Q231-T234 PolarHBondContact N-OG1 3.43Å; Q231-T234 WeakPolarHBondContact O-CB 3.44Å; Q231-T234 PolarHBondContact O-N 2.91Å; Q231-T234 PolarHBondContact O-OG1 3.45Å
232S95.7Very high95.5Very high73 Ų7379.9 Ų79.951%0.5143%0.426SS..THydrogen-bonded Turntrans-61.1-26.8-179.760.40000113.6R300S232-R300 VanDerWaalsContact CA-O 3.29Å; S232-R300 WeakPolarHBondContact CA-O 3.43Å; S232-R300 VanDerWaalsContact CB-O 3.29Å; S232-R300 WeakPolarHBondContact CB-O 3.32Å
233N95.5Very high95.6Very high86 Ų8678.9 Ų78.946%0.4641%0.413SS..THydrogen-bonded Turntrans-93.8-3.3178.368.2-8.9000113.9Q231 R235Q231-N233 WeakPolarHBondContact CB-OD1 3.45Å; Q231-N233 PolarHBondContact O-N 2.83Å; Q231-N233 PolarHBondContact OE1-OD1 3.11Å; N233-R235 PolarHBondContact O-N 3.22Å
234T95.9Very high95.8Very high40 Ų4074.6 Ų74.625%0.24539%0.385CS..  trans-62.8125.1179.7-60.10000110.1I230 Q231 R303 M304I230-T234 HydrophobicContact CG2-CG2 4.38Å; Q231-T234 PolarHBondContact N-OG1 3.43Å; Q231-T234 WeakPolarHBondContact O-CB 3.44Å; Q231-T234 PolarHBondContact O-N 2.91Å; Q231-T234 PolarHBondContact O-OG1 3.45Å; T234-R303 CarbonylContact O-C 3.6Å; T234-R303 VanDerWaalsContact O-C 3.27Å; T234-R303 VanDerWaalsContact O-CB 3.24Å; T234-R303 WeakPolarHBondContact O-CB 3.37Å; T234-M304 HydrophobicContact CG2-SD 4.15Å
235R95.6Very high95.8Very high118 Ų11868 Ų6845%0.44537%0.365SS..  trans-130133.4176.9179.6176.2-82.8163.60.4109N233 D272 R303N233-R235 PolarHBondContact O-N 3.22Å; R235-D272 IonicContact CZ-OD2 3.18Å; R235-D272 IonicContact NE-OD2 2.98Å; R235-D272 PolarHBondContact NE-OD2 2.83Å; R235-D272 IonicContact NH2-OD1 3.78Å; R235-D272 IonicContact NH2-OD2 3.05Å; R235-D272 PolarHBondContact NH2-OD2 3.24Å; R235-R303 HydrophobicContact CB-CB 4.41Å
236L94.9Very high95.8Very high15 Ų1574.3 Ų74.38%0.07939%0.389CS..  trans-75.7140.6173.1-59.2-174000110.3I212 L216 E240 L241 I244 M304 P305I212-L236 HydrophobicContact CG2-CD1 4.24Å; L216-L236 HydrophobicContact CD1-CD2 4.05Å; L236-E240 WeakPolarHBondContact CA-OE2 3.47Å; L236-E240 HydrophobicContact CB-CB 4.05Å; L236-L241 HydrophobicContact CB-CD2 3.98Å; L236-L241 HydrophobicContact CB-CG 4.03Å; L236-L241 HydrophobicContact CD1-CD2 4.22Å; L236-I244 HydrophobicContact CD1-CG1 4.33Å; L236-M304 HydrophobicContact CD1-CE 4.47Å; L236-M304 HydrophobicContact CD2-SD 4.45Å; L236-M304 HydrophobicContact CG-CE 4.48Å; L236-M304 HydrophobicContact CG-SD 4.29Å; L236-P305 HydrophobicContact CD1-CG 4Å
237S95.2Very high95.7Very high62 Ų6273 Ų7343%0.43438%0.381SS..  trans-66.4160.7169.263.90000111.8G239 E240 L241S237-G239 PolarHBondContact O-N 2.95Å; S237-E240 WeakPolarHBondContact CB-OE2 3.37Å; S237-E240 PolarHBondContact N-OE2 2.62Å; S237-E240 PolarHBondContact O-N 2.91Å; S237-E240 VanDerWaalsContact O-N 3.08Å; S237-E240 VanDerWaalsContact OG-CG 3.29Å; S237-E240 WeakPolarHBondContact OG-CG 3.39Å; S237-E240 PolarHBondContact OG-N 2.79Å; S237-E240 PolarHBondContact OG-OE2 3.23Å; S237-L241 WeakPolarHBondContact O-CG 3.26Å; S237-L241 PolarHBondContact O-N 3.4Å
238D94.9Very high95.7Very high140 Ų14071.9 Ų71.975%0.74937%0.374SS*.Hα-helixtrans-59.7-33.9179.1-65.3-29.7000112.8L241 K242D238-L241 PolarHBondContact O-N 2.73Å; D238-K242 WeakPolarHBondContact O-CB 3.32Å; D238-K242 PolarHBondContact O-N 2.7Å
239G96.4Very high95.6Very high45 Ų4571.1 Ų71.146%0.46436%0.364SS..Hα-helixtrans-63.3-45.8174.100000112.4S237 K242 I243S237-G239 PolarHBondContact O-N 2.95Å; G239-K242 PolarHBondContact O-N 3.48Å; G239-I243 WeakPolarHBondContact O-CG1 3.28Å; G239-I243 PolarHBondContact O-N 2.91Å; G239-I243 VanDerWaalsContact O-N 3.14Å
240E96.2Very high95.6Very high29 Ų2965.7 Ų65.714%0.13634%0.342CS..Hα-helixtrans-65.6-42.9176.4-69.4161.9144.800111.3L216 Y225 L236 S237 K242 I243 I244L216-E240 HydrophobicContact CD1-CB 4.44Å; L216-E240 HydrophobicContact CD1-CG 4.38Å; L216-E240 HydrophobicContact CD2-CB 3.92Å; L216-E240 HydrophobicContact CD2-CG 3.97Å; Y225-E240 WeakPolarHBondContact CE1-OE1 3Å; Y225-E240 VanDerWaalsContact CZ-OE1 3.22Å; Y225-E240 PolarHBondContact OH-OE1 2.65Å; L236-E240 WeakPolarHBondContact CA-OE2 3.47Å; L236-E240 HydrophobicContact CB-CB 4.05Å; S237-E240 WeakPolarHBondContact CB-OE2 3.37Å; S237-E240 PolarHBondContact N-OE2 2.62Å; S237-E240 PolarHBondContact O-N 2.91Å; S237-E240 VanDerWaalsContact O-N 3.08Å; S237-E240 VanDerWaalsContact OG-CG 3.29Å; S237-E240 WeakPolarHBondContact OG-CG 3.39Å; S237-E240 PolarHBondContact OG-N 2.79Å; S237-E240 PolarHBondContact OG-OE2 3.23Å; E240-K242 VanDerWaalsContact C-N 3.27Å; E240-K242 PolarHBondContact O-N 2.83Å; E240-I243 PolarHBondContact O-N 3.49Å; E240-I243 VanDerWaalsContact O-N 3.12Å; E240-I244 WeakPolarHBondContact O-CG1 3.31Å; E240-I244 PolarHBondContact O-N 3.37Å
241L96.4Very high95.6Very high40 Ų4064.8 Ų64.821%0.20934%0.337CS..Hα-helixtrans-58.7-38.8175.2-70.8174.3000111.8L236 S237 D238 G245 I269 P305L236-L241 HydrophobicContact CB-CD2 3.98Å; L236-L241 HydrophobicContact CB-CG 4.03Å; L236-L241 HydrophobicContact CD1-CD2 4.22Å; S237-L241 WeakPolarHBondContact O-CG 3.26Å; S237-L241 PolarHBondContact O-N 3.4Å; D238-L241 PolarHBondContact O-N 2.73Å; L241-G245 WeakPolarHBondContact O-CA 3.31Å; L241-G245 PolarHBondContact O-N 2.92Å; L241-I269 HydrophobicContact CD2-CD1 4.05Å; L241-P305 HydrophobicContact CD2-CB 3.73Å; L241-P305 HydrophobicContact CD2-CG 3.9Å
242K96.3Very high95.6Very high136 Ų13661.8 Ų61.859%0.59132%0.32SS*.Hα-helixtrans-65.9-38.9175.8-170.3175.2-176.31750112.4D238 G239 E240 R246D238-K242 WeakPolarHBondContact O-CB 3.32Å; D238-K242 PolarHBondContact O-N 2.7Å; G239-K242 PolarHBondContact O-N 3.48Å; E240-K242 VanDerWaalsContact C-N 3.27Å; E240-K242 PolarHBondContact O-N 2.83Å; K242-R246 WeakPolarHBondContact O-CG 3.3Å; K242-R246 PolarHBondContact O-N 2.67Å
243I95.8Very high95.7Very high89 Ų8958.3 Ų58.346%0.45630%0.296SS..Hα-helixtrans-65.5-52.1175.8-66.7167.1000109.9V215 L216 G239 E240 G245 R246 A247V215-I243 HydrophobicContact CG1-CG2 3.8Å; L216-I243 HydrophobicContact CD2-CB 4.44Å; L216-I243 HydrophobicContact CD2-CG2 4.29Å; G239-I243 WeakPolarHBondContact O-CG1 3.28Å; G239-I243 PolarHBondContact O-N 2.91Å; G239-I243 VanDerWaalsContact O-N 3.14Å; E240-I243 PolarHBondContact O-N 3.49Å; E240-I243 VanDerWaalsContact O-N 3.12Å; I243-G245 PolarHBondContact O-N 2.68Å; I243-R246 PolarHBondContact O-N 2.92Å; I243-A247 PolarHBondContact O-N 3.15Å; I243-A247 VanDerWaalsContact O-N 3.15Å
244I96.4Very high95.7Very high0 Ų055.8 Ų55.80%028%0.284CS..Hα-helixtrans-63-43.9-179.9-62.5-48.8000111.1I212 V215 L216 L236 E240 R246 A247 V248 I269I212-I244 HydrophobicContact CB-CD1 4.24Å; I212-I244 HydrophobicContact CD1-CG2 4.31Å; I212-I244 HydrophobicContact CG1-CD1 4.18Å; I212-I244 HydrophobicContact CG1-CG1 4.34Å; I212-I244 HydrophobicContact CG1-CG2 3.89Å; I212-I244 HydrophobicContact CG2-CD1 3.97Å; I212-I244 HydrophobicContact CG2-CG1 4.11Å; V215-I244 HydrophobicContact CB-CD1 3.77Å; V215-I244 HydrophobicContact CG1-CD1 3.6Å; L216-I244 HydrophobicContact CD2-CD1 3.79Å; L216-I244 HydrophobicContact CD2-CG1 4.02Å; L216-I244 HydrophobicContact CG-CD1 3.84Å; L216-I244 HydrophobicContact CG-CG1 4.32Å; L236-I244 HydrophobicContact CD1-CG1 4.33Å; E240-I244 WeakPolarHBondContact O-CG1 3.31Å; E240-I244 PolarHBondContact O-N 3.37Å; I244-R246 PolarHBondContact O-N 2.7Å; I244-A247 PolarHBondContact O-N 3.27Å; I244-V248 HydrophobicContact CG2-CG1 3.75Å; I244-V248 WeakPolarHBondContact O-CG2 3.36Å; I244-V248 PolarHBondContact O-N 3.03Å; I244-I269 HydrophobicContact CB-CD1 4.1Å; I244-I269 HydrophobicContact CG2-CD1 3.58Å
245G96.1Very high95.8Very high16 Ų1654.2 Ų54.217%0.16527%0.274CS..Hα-helixtrans-56.7-34.3179.500000113.2L241 I243L241-G245 WeakPolarHBondContact O-CA 3.31Å; L241-G245 PolarHBondContact O-N 2.92Å; I243-G245 PolarHBondContact O-N 2.68Å
246R94.4Very high95.8Very high183 Ų18352.1 Ų52.169%0.69128%0.275SS*.Hα-helixtrans-71.8-44.6172.1-70.6173.7178.7-175-2.9111.9K242 I243 I244 K249K242-R246 WeakPolarHBondContact O-CG 3.3Å; K242-R246 PolarHBondContact O-N 2.67Å; I243-R246 PolarHBondContact O-N 2.92Å; I244-R246 PolarHBondContact O-N 2.7Å; R246-K249 PolarHBondContact O-N 2.75Å
247A95.2Very high95.8Very high19 Ų1953.3 Ų53.316%0.15728%0.28CS..Hα-helixtrans-67.4-40.2-176.100000113.4Y211 V215 I243 I244 K249Y211-A247 HydrophobicContact CE1-CB 4.32Å; Y211-A247 PolarHBondContact OH-O 3.17Å; V215-A247 HydrophobicContact CB-CB 4.43Å; V215-A247 HydrophobicContact CG1-CB 3.69Å; V215-A247 HydrophobicContact CG2-CB 3.89Å; I243-A247 PolarHBondContact O-N 3.15Å; I243-A247 VanDerWaalsContact O-N 3.15Å; I244-A247 PolarHBondContact O-N 3.27Å; A247-K249 VanDerWaalsContact C-N 3.32Å; A247-K249 PolarHBondContact O-N 2.87Å
248V95.9Very high95.6Very high0 Ų053.9 Ų53.90%027%0.272CS..Hα-helixtrans-79.6-14.1-178.2-57.70000113.1Y211 I244 G250 L251 I266 L307Y211-V248 HydrophobicContact CD1-CG1 4.31Å; Y211-V248 HydrophobicContact CE1-CG1 4Å; I244-V248 HydrophobicContact CG2-CG1 3.75Å; I244-V248 WeakPolarHBondContact O-CG2 3.36Å; I244-V248 PolarHBondContact O-N 3.03Å; V248-G250 PolarHBondContact O-N 2.89Å; V248-G250 VanDerWaalsContact O-N 3.17Å; V248-L251 WeakPolarHBondContact O-CB 3.41Å; V248-L251 PolarHBondContact O-N 3.28Å; V248-I266 HydrophobicContact CB-CG2 4.12Å; V248-I266 HydrophobicContact CG2-CG2 3.85Å; V248-I266 WeakPolarHBondContact O-CB 3.37Å; V248-L307 HydrophobicContact CB-CD2 4.19Å; V248-L307 HydrophobicContact CG1-CD2 4.11Å; V248-L307 HydrophobicContact CG2-CD2 4.13Å
249K94.3Very high95.3Very high137 Ų13754.1 Ų54.160%0.59628%0.281SS*.THydrogen-bonded Turntrans-64.7119.6-176.8-171.1175.2-176.4179.70110.7R246 A247 L251R246-K249 PolarHBondContact O-N 2.75Å; A247-K249 VanDerWaalsContact C-N 3.32Å; A247-K249 PolarHBondContact O-N 2.87Å; K249-L251 VanDerWaalsContact C-N 3.27Å; K249-L251 PolarHBondContact O-N 3.02Å
250G94Very high94.8Very high12 Ų1253.4 Ų53.412%0.12427%0.269CS..THydrogen-bonded Turntrans84-6.8-177.100000114.8V248 R265 I266V248-G250 PolarHBondContact O-N 2.89Å; V248-G250 VanDerWaalsContact O-N 3.17Å; G250-R265 PolarHBondContact O-NH1 3.07Å; G250-I266 WeakPolarHBondContact CA-O 3.49Å; G250-I266 PolarHBondContact N-O 2.91Å
251L96.4Very high94.3Very high1 Ų160.6 Ų60.61%0.00530%0.3CS..  trans-59.7144.4170.8-167.767.6000109.5Y203 Y211 V248 K249 V253 I266 V325Y203-L251 HydrophobicContact CD1-CD1 3.55Å; Y203-L251 HydrophobicContact CD2-CD1 3.98Å; Y203-L251 HydrophobicContact CE1-CD1 3.6Å; Y203-L251 HydrophobicContact CE2-CD1 4.02Å; Y203-L251 HydrophobicContact CG-CD1 3.74Å; Y211-L251 HydrophobicContact CD1-CD2 4.07Å; Y211-L251 HydrophobicContact CE1-CD2 3.88Å; V248-L251 WeakPolarHBondContact O-CB 3.41Å; V248-L251 PolarHBondContact O-N 3.28Å; K249-L251 VanDerWaalsContact C-N 3.27Å; K249-L251 PolarHBondContact O-N 3.02Å; L251-V253 HydrophobicContact CD2-CG1 4.17Å; L251-V253 HydrophobicContact CG-CG1 4.36Å; L251-I266 PolarHBondContact O-N 2.86Å; L251-V325 HydrophobicContact CD1-CG1 3.96Å; L251-V325 HydrophobicContact CD2-CG2 4.15Å; L251-V325 HydrophobicContact CG-CG1 4.46Å
252R96Very high94.1Very high56 Ų5658.9 Ų58.921%0.21129%0.291CS..EExtended strand (participates in β ladder)trans-102.1133.5171-72.8-178.6-63.7167.1-4.7108.6Q263 Y264 A326R252-Q263 HydrophobicContact CB-CB 4.36Å; R252-Y264 CarbonylContact C-O 3.57Å; R252-Y264 VanDerWaalsContact CA-O 3.28Å; R252-Y264 WeakPolarHBondContact CA-O 3.24Å; R252-A326 HydrophobicContact CB-CB 3.86Å; R252-A326 WeakPolarHBondContact O-CB 3.29Å; R252-A326 PolarHBondContact O-N 2.89Å
253V97.5Very high94Very high0 Ų053.4 Ų53.40%027%0.268CS..EExtended strand (participates in β ladder)trans-125.6147.5177.9-560000110.9V208 L251 Q263 Y264 I266 L307 L318 C323 N324V208-V253 HydrophobicContact CG2-CG1 3.84Å; L251-V253 HydrophobicContact CD2-CG1 4.17Å; L251-V253 HydrophobicContact CG-CG1 4.36Å; V253-Q263 CarbonylContact O-C 3.48Å; V253-Q263 VanDerWaalsContact O-CA 3.31Å; V253-Q263 WeakPolarHBondContact O-CA 3.18Å; V253-Y264 PolarHBondContact N-O 2.63Å; V253-Y264 PolarHBondContact O-N 3.23Å; V253-I266 HydrophobicContact CG1-CD1 4.44Å; V253-I266 HydrophobicContact CG1-CG1 3.99Å; V253-I266 HydrophobicContact CG2-CD1 3.57Å; V253-I266 HydrophobicContact CG2-CG1 4.02Å; V253-L307 HydrophobicContact CG1-CD1 4.05Å; V253-L307 HydrophobicContact CG2-CD1 4.15Å; V253-L318 HydrophobicContact CG2-CD1 4.35Å; V253-C323 HydrophobicContact CB-CB 4.36Å; V253-C323 HydrophobicContact CG2-CB 4.41Å; V253-N324 CarbonylContact C-O 3.14Å; V253-N324 WeakPolarHBondContact CA-O 3.26Å; V253-N324 VanDerWaalsContact CB-O 3.26Å; V253-N324 WeakPolarHBondContact CB-O 3.2Å
254T97.1Very high94Very high33 Ų3350 Ų5020%0.20225%0.25CC..EExtended strand (participates in β ladder)trans-98.8163.8163.956.50000109.5Q263 C323 N324 A326T254-Q263 HydrophobicContact CG2-CG 3.93Å; T254-C323 WeakPolarHBondContact O-CA 3.22Å; T254-N324 PolarHBondContact N-O 3.31Å; T254-N324 PolarHBondContact O-N 3.22Å; T254-A326 HydrophobicContact CG2-CB 4.46Å
255V96.4Very high93.9Very high7 Ų757.7 Ų57.74%0.04228%0.279CS..EExtended strand (participates in β ladder)trans-113147.5-179.3-63.80000111.2R258 Y264 L318 V322V255-R258 HydrophobicContact CG2-CG 3.82Å; V255-Y264 HydrophobicContact CG1-CD2 3.96Å; V255-Y264 HydrophobicContact CG1-CE2 3.76Å; V255-Y264 HydrophobicContact CG2-CE2 4.13Å; V255-L318 HydrophobicContact CG1-CD1 3.92Å; V255-L318 HydrophobicContact CG1-CD2 4Å; V255-V322 CarbonylContact C-O 3.48Å; V255-V322 VanDerWaalsContact CA-O 3.26Å; V255-V322 WeakPolarHBondContact CA-O 3.37Å
256T96.2Very high93.9Very high75 Ų7556.9 Ų56.946%0.4627%0.271SS..SBendtrans-106.7-20-176.857.70000113.9R258 V322 N324T256-R258 PolarHBondContact O-N 2.95Å; T256-R258 VanDerWaalsContact O-N 3.07Å; T256-V322 PolarHBondContact N-O 3.4Å; T256-V322 VanDerWaalsContact OG1-CA 3.31Å; T256-V322 WeakPolarHBondContact OG1-CA 3.4Å; T256-V322 PolarHBondContact OG1-O 3.28Å; T256-N324 VanDerWaalsContact CG2-ND2 3.3Å; T256-N324 WeakPolarHBondContact CG2-ND2 3.37Å
257H94.8Very high94Very high39 Ų3950.9 Ų50.918%0.18125%0.251CS..SBendtrans-69.2-3.6-179.165-86.4000114.4F292 Y296 V322H257-F292 HydrophobicContact CB-CE1 4.01Å; H257-F292 AromaticContact CG-CE1 3.81Å; H257-Y296 AromaticContact CD2-CE1 3.76Å; H257-Y296 AromaticContact CD2-CZ 3.76Å; H257-V322 HydrophobicContact CB-CB 4.23Å; H257-V322 HydrophobicContact CB-CG1 4.21Å
258R91.8Very high94Very high74 Ų7450.6 Ų50.628%0.27925%0.25SS..SBendtrans-153.5153.4-179.966.1-172.6-154.9-165.116.7111.4N92 V255 T256 C260 Y264N92-R258 PolarHBondContact ND2-NH2 3.08Å; N92-R258 PolarHBondContact OD1-NH2 3.34Å; V255-R258 HydrophobicContact CG2-CG 3.82Å; T256-R258 PolarHBondContact O-N 2.95Å; T256-R258 VanDerWaalsContact O-N 3.07Å; R258-C260 VanDerWaalsContact C-N 3.28Å; R258-C260 HydrophobicContact CG-CB 4Å; R258-C260 PolarHBondContact O-N 3.4Å; R258-Y264 PolarHBondContact NH1-OH 2.73Å; R258-Y264 PolarHBondContact NH2-OH 3.46Å
259P88.4Confident94Very high145 Ų14552.2 Ų52.294%0.94226%0.259SS*.SBendtrans-75.677.2179.831.8-35.6000110.9
260C86.1Confident93.9Very high31 Ų3146.5 Ų46.521%0.20924%0.237CC..  trans-142.1130.4-178.2-171.20000111.4R258 A262R258-C260 VanDerWaalsContact C-N 3.28Å; R258-C260 HydrophobicContact CG-CB 4Å; R258-C260 PolarHBondContact O-N 3.4Å; C260-A262 VanDerWaalsContact C-N 3.33Å; C260-A262 WeakPolarHBondContact SG-CB 3.43Å; C260-A262 PolarHBondContact SG-N 2.7Å
261K85.1Confident93.8Very high180 Ų18047.7 Ų47.778%0.78325%0.246SC*.  trans-90.96.1176.2-63.4-169.4177.9-172.90113.7
262A91.3Very high93.7Very high3 Ų348.1 Ų48.13%0.02525%0.248CC..PPolyproline II helixtrans-64.7139.4-179.900000111L89 S91 N92 C260L89-A262 CarbonylContact O-C 3.59Å; L89-A262 WeakPolarHBondContact O-CA 3.42Å; S91-A262 WeakPolarHBondContact O-CB 3.29Å; N92-A262 WeakPolarHBondContact OD1-CB 3.39Å; C260-A262 VanDerWaalsContact C-N 3.33Å; C260-A262 WeakPolarHBondContact SG-CB 3.43Å; C260-A262 PolarHBondContact SG-N 2.7Å
263Q95.2Very high93.7Very high22 Ų2245.5 Ų45.510%0.10324%0.238CC..PPolyproline II helixtrans-101.7125.4178.5-65-176.4-1.600109.7L89 R252 V253 T254 A326L89-Q263 HydrophobicContact CB-CG 4.21Å; L89-Q263 PolarHBondContact O-N 2.85Å; R252-Q263 HydrophobicContact CB-CB 4.36Å; V253-Q263 CarbonylContact O-C 3.48Å; V253-Q263 VanDerWaalsContact O-CA 3.31Å; V253-Q263 WeakPolarHBondContact O-CA 3.18Å; T254-Q263 HydrophobicContact CG2-CG 3.93Å; Q263-A326 HydrophobicContact CG-CB 3.95Å
264Y95.2Very high93.7Very high17 Ų1747.6 Ų47.67%0.06725%0.253CS..EExtended strand (participates in β ladder)trans-97122.5175.5-66.7-91000109.7N92 R252 V253 V255 R258 I266 A309 I316 L318N92-Y264 PolarHBondContact ND2-OH 3.17Å; N92-Y264 PolarHBondContact OD1-OH 3.41Å; N92-Y264 VanDerWaalsContact OD1-OH 3.06Å; R252-Y264 CarbonylContact C-O 3.57Å; R252-Y264 VanDerWaalsContact CA-O 3.28Å; R252-Y264 WeakPolarHBondContact CA-O 3.24Å; V253-Y264 PolarHBondContact N-O 2.63Å; V253-Y264 PolarHBondContact O-N 3.23Å; V255-Y264 HydrophobicContact CG1-CD2 3.96Å; V255-Y264 HydrophobicContact CG1-CE2 3.76Å; V255-Y264 HydrophobicContact CG2-CE2 4.13Å; R258-Y264 PolarHBondContact NH1-OH 2.73Å; R258-Y264 PolarHBondContact NH2-OH 3.46Å; Y264-I266 PolarHBondContact O-N 3.06Å; Y264-A309 HydrophobicContact CD1-CB 4.1Å; Y264-A309 HydrophobicContact CG-CB 4.47Å; Y264-I316 HydrophobicContact CD1-CD1 4.42Å; Y264-I316 HydrophobicContact CE1-CD1 4Å; Y264-L318 HydrophobicContact CD1-CD1 4.27Å; Y264-L318 HydrophobicContact CD2-CD1 4.07Å; Y264-L318 HydrophobicContact CG-CD1 3.88Å
265R95Very high93.7Very high161 Ų16153.4 Ų53.461%0.60827%0.271SS*.EExtended strand (participates in β ladder)trans-77.5119.3168.3-177.5176.7176.284.1-5.6108.9G250G250-R265 PolarHBondContact O-NH1 3.07Å
266I96.5Very high93.7Very high0 Ų054.7 Ų54.70%028%0.277CS..EExtended strand (participates in β ladder)trans-77.6132.4178.9-57.1-47.8000109.7V248 G250 L251 V253 Y264 G268 L307 Q308 A309V248-I266 HydrophobicContact CB-CG2 4.12Å; V248-I266 HydrophobicContact CG2-CG2 3.85Å; V248-I266 WeakPolarHBondContact O-CB 3.37Å; G250-I266 WeakPolarHBondContact CA-O 3.49Å; G250-I266 PolarHBondContact N-O 2.91Å; L251-I266 PolarHBondContact O-N 2.86Å; V253-I266 HydrophobicContact CG1-CD1 4.44Å; V253-I266 HydrophobicContact CG1-CG1 3.99Å; V253-I266 HydrophobicContact CG2-CD1 3.57Å; V253-I266 HydrophobicContact CG2-CG1 4.02Å; Y264-I266 PolarHBondContact O-N 3.06Å; I266-G268 WeakPolarHBondContact CG2-O 3.13Å; I266-L307 HydrophobicContact CD1-CB 3.81Å; I266-L307 HydrophobicContact CD1-CD1 3.92Å; I266-L307 HydrophobicContact CD1-CG 4.45Å; I266-L307 HydrophobicContact CG1-CB 4.42Å; I266-L307 HydrophobicContact CG1-CD1 4.1Å; I266-L307 HydrophobicContact CG2-CB 4.36Å; I266-L307 HydrophobicContact CG2-CD2 4.32Å; I266-Q308 CarbonylContact C-O 3.53Å; I266-Q308 WeakPolarHBondContact CA-O 3.46Å; I266-A309 HydrophobicContact CD1-CB 4.02Å
267I95.6Very high93.6Very high56 Ų5654 Ų5429%0.28727%0.272SS..EExtended strand (participates in β ladder)trans-104-17.8178.561.4167.6000112.6Q308I267-Q308 HydrophobicContact CD1-CG 3.99Å; I267-Q308 HydrophobicContact CG1-CB 4.19Å; I267-Q308 HydrophobicContact CG1-CG 3.87Å; I267-Q308 WeakPolarHBondContact CG1-O 3.34Å; I267-Q308 PolarHBondContact N-O 2.88Å
268G95.2Very high93.6Very high13 Ų1354.5 Ų54.513%0.13427%0.274CS..EExtended strand (participates in β ladder)trans179.7-169.4178.900000112.8I266 Q308I266-G268 WeakPolarHBondContact CG2-O 3.13Å; G268-Q308 PolarHBondContact N-O 3.4Å; G268-Q308 PolarHBondContact O-N 3.39Å
269I95.6Very high93.7Very high35 Ų3555 Ų5518%0.17929%0.285CS..EExtended strand (participates in β ladder)trans-123.2148173.6-160.7172.6000108.1L241 I244 P305 V306L241-I269 HydrophobicContact CD2-CD1 4.05Å; I244-I269 HydrophobicContact CB-CD1 4.1Å; I244-I269 HydrophobicContact CG2-CD1 3.58Å; I269-P305 HydrophobicContact CD1-CB 3.52Å; I269-P305 HydrophobicContact CD1-CG 3.65Å; I269-P305 HydrophobicContact CG1-CB 3.7Å; I269-P305 HydrophobicContact CG1-CG 4.35Å; I269-V306 WeakPolarHBondContact CG1-O 3.39Å
270A93.6Very high93.8Very high17 Ų1749.7 Ų49.714%0.1425%0.249CC..EExtended strand (participates in β ladder)trans-122.4-171.6177.800000111.1Q276 V306 Y317A270-Q276 HydrophobicContact CB-CG 4.34Å; A270-Q276 VanDerWaalsContact CB-OE1 3.25Å; A270-V306 HydrophobicContact CB-CG2 3.79Å; A270-V306 PolarHBondContact N-O 3.08Å; A270-Y317 HydrophobicContact CB-CD1 4.08Å; A270-Y317 HydrophobicContact CB-CE1 3.81Å
271A90Very high93.9Very high36 Ų3660.3 Ų60.330%0.29829%0.285SS..EExtended strand (participates in β ladder)trans-58.9171.7178.300000111.9R275 Q276 V306A271-R275 HydrophobicContact CB-CB 4.38Å; A271-Q276 HydrophobicContact CB-CB 4.38Å; A271-V306 PolarHBondContact O-N 2.94Å
272D95Very high94.2Very high10 Ų1056.2 Ų56.25%0.05327%0.271CS..EExtended strand (participates in β ladder)trans-61.6153.2174.165.478.1000113R235 S274 R275 Q276 R303 M304R235-D272 IonicContact CZ-OD2 3.18Å; R235-D272 IonicContact NE-OD2 2.98Å; R235-D272 PolarHBondContact NE-OD2 2.83Å; R235-D272 IonicContact NH2-OD1 3.78Å; R235-D272 IonicContact NH2-OD2 3.05Å; R235-D272 PolarHBondContact NH2-OD2 3.24Å; D272-S274 PolarHBondContact O-N 3.39Å; D272-S274 VanDerWaalsContact O-N 3.1Å; D272-S274 PolarHBondContact OD1-N 2.89Å; D272-S274 PolarHBondContact OD1-OG 3.17Å; D272-R275 PolarHBondContact O-N 3.19Å; D272-R275 PolarHBondContact OD1-N 2.88Å; D272-R275 WeakPolarHBondContact OD2-CD 3.21Å; D272-Q276 PolarHBondContact O-N 3.47Å; D272-R303 VanDerWaalsContact CB-C 3.4Å; D272-R303 WeakPolarHBondContact CB-O 3.37Å; D272-M304 VanDerWaalsContact CA-O 3.27Å; D272-M304 WeakPolarHBondContact CA-O 3.32Å; D272-M304 WeakPolarHBondContact CB-O 3.16Å
273A97Very high94.2Very high1 Ų158.4 Ų58.41%0.00830%0.295CS..THydrogen-bonded Turntrans-58.4-28.5-172.500000113.1R275 V288 A289 L299 P302 M304 V306A273-R275 VanDerWaalsContact C-N 3.29Å; A273-R275 PolarHBondContact O-N 2.78Å; A273-V288 HydrophobicContact CB-CB 4.33Å; A273-V288 HydrophobicContact CB-CG1 4.37Å; A273-V288 PolarHBondContact O-N 2.96Å; A273-A289 HydrophobicContact CB-CB 4.3Å; A273-A289 WeakPolarHBondContact O-CB 3.44Å; A273-A289 PolarHBondContact O-N 3.39Å; A273-L299 HydrophobicContact CB-CD1 3.6Å; A273-P302 PolarHBondContact N-O 2.87Å; A273-P302 VanDerWaalsContact N-O 3.11Å; A273-M304 PolarHBondContact N-O 3.42Å; A273-M304 VanDerWaalsContact N-O 3.12Å; A273-V306 HydrophobicContact CB-CG1 3.61Å
274S96.4Very high94.1Very high45 Ų4563.6 Ų63.632%0.31531%0.313SS..THydrogen-bonded Turntrans-75-14.1176.675.20000114.6D272 T287 P302D272-S274 PolarHBondContact O-N 3.39Å; D272-S274 VanDerWaalsContact O-N 3.1Å; D272-S274 PolarHBondContact OD1-N 2.89Å; D272-S274 PolarHBondContact OD1-OG 3.17Å; S274-T287 WeakPolarHBondContact O-CG2 3.27Å; S274-P302 PolarHBondContact N-O 2.78Å
275R96.5Very high94.1Very high154 Ų15469.5 Ų69.558%0.58134%0.341SS*.THydrogen-bonded Turntrans-117.8-24.6-178.9-70.617563-1593.1113.7A271 D272 A273 V277A271-R275 HydrophobicContact CB-CB 4.38Å; D272-R275 PolarHBondContact O-N 3.19Å; D272-R275 PolarHBondContact OD1-N 2.88Å; D272-R275 WeakPolarHBondContact OD2-CD 3.21Å; A273-R275 VanDerWaalsContact C-N 3.29Å; A273-R275 PolarHBondContact O-N 2.78Å; R275-V277 PolarHBondContact O-N 2.84Å; R275-V277 VanDerWaalsContact O-N 3.12Å
276Q96.6Very high94.2Very high34 Ų3463 Ų6316%0.15932%0.319CS..  trans-71.4109.2178.7-176.658.557.100109.5A270 A271 D272 T287 V288 V306 Y317A270-Q276 HydrophobicContact CB-CG 4.34Å; A270-Q276 VanDerWaalsContact CB-OE1 3.25Å; A271-Q276 HydrophobicContact CB-CB 4.38Å; D272-Q276 PolarHBondContact O-N 3.47Å; Q276-T287 CarbonylContact O-C 3.27Å; Q276-T287 VanDerWaalsContact O-CA 3.3Å; Q276-T287 WeakPolarHBondContact O-CA 3.09Å; Q276-V288 HydrophobicContact CB-CG2 4.08Å; Q276-V288 HydrophobicContact CG-CG2 3.99Å; Q276-V288 WeakPolarHBondContact O-CG2 3.15Å; Q276-V288 PolarHBondContact O-N 3.32Å; Q276-V306 HydrophobicContact CB-CG2 4.03Å; Q276-V306 HydrophobicContact CG-CG2 3.86Å; Q276-Y317 HydrophobicContact CG-CD1 3.95Å; Q276-Y317 HydrophobicContact CG-CD2 4.2Å; Q276-Y317 HydrophobicContact CG-CE1 4.12Å; Q276-Y317 HydrophobicContact CG-CE2 4.37Å; Q276-Y317 HydrophobicContact CG-CG 3.99Å
277V95.8Very high94.2Very high61 Ų6164 Ų6437%0.3733%0.325SS..EExtended strand (participates in β ladder)trans-91.1148.3175178.50000110.2R275 E285 L286 T287R275-V277 PolarHBondContact O-N 2.84Å; R275-V277 VanDerWaalsContact O-N 3.12Å; V277-E285 HydrophobicContact CG1-CB 3.76Å; V277-E285 HydrophobicContact CG1-CG 4.4Å; V277-L286 WeakPolarHBondContact CA-O 3.23Å; V277-T287 HydrophobicContact CG2-CG2 4.11Å
278F94.1Very high94.3Very high50 Ų5061.5 Ų61.522%0.21931%0.312CS..EExtended strand (participates in β ladder)trans-145.5153.4168.173.4-70.1000110.4L280 L286 V288 Y291 Y317F278-L280 HydrophobicContact CE2-CD2 3.58Å; F278-L280 HydrophobicContact CZ-CD2 3.84Å; F278-L286 WeakPolarHBondContact CD1-O 3.28Å; F278-L286 PolarHBondContact N-O 2.92Å; F278-L286 PolarHBondContact O-N 3.46Å; F278-V288 HydrophobicContact CD1-CG2 4.05Å; F278-V288 HydrophobicContact CE1-CG2 4.34Å; F278-Y291 HydrophobicContact CE1-CD1 4.37Å; F278-Y291 HydrophobicContact CE1-CG 4.04Å; F278-Y291 AromaticContact CZ-CD1 3.84Å; F278-Y291 HydrophobicContact CZ-CD1 3.84Å; F278-Y291 AromaticContact CZ-CD2 3.86Å; F278-Y291 HydrophobicContact CZ-CD2 3.86Å; F278-Y291 HydrophobicContact CZ-CE1 4.39Å; F278-Y291 HydrophobicContact CZ-CE2 4.42Å; F278-Y291 AromaticContact CZ-CG 3.53Å; F278-Y291 HydrophobicContact CZ-CG 3.53Å; F278-Y317 HydrophobicContact CB-CD2 3.95Å; F278-Y317 HydrophobicContact CB-CE2 4.05Å
279T93.6Very high94.4Very high84 Ų8461.1 Ų61.152%0.51531%0.307SS..EExtended strand (participates in β ladder)trans-90125.6-179.6-390000110.2R284 E285T279-R284 WeakPolarHBondContact CA-O 3.29Å; T279-E285 HydrophobicContact CG2-CG 4.37Å
280L90.6Very high94.5Very high34 Ų3461.7 Ų61.718%0.17831%0.311CS..  trans-72.3169.5171.4-70.7-175.7000111.4F278 D282 G283 R284 L286 Y291F278-L280 HydrophobicContact CE2-CD2 3.58Å; F278-L280 HydrophobicContact CZ-CD2 3.84Å; L280-D282 WeakPolarHBondContact CB-OD1 3.29Å; L280-D282 PolarHBondContact O-N 2.85Å; L280-G283 PolarHBondContact O-N 2.77Å; L280-R284 HydrophobicContact CD1-CB 4.47Å; L280-R284 PolarHBondContact N-O 3.22Å; L280-L286 HydrophobicContact CD1-CD1 3.5Å; L280-L286 VanDerWaalsContact CD1-CD1 3.5Å; L280-L286 HydrophobicContact CG-CD1 4.23Å; L280-Y291 HydrophobicContact CD2-CD2 4Å; L280-Y291 HydrophobicContact CD2-CE2 4.02Å
281R88.1Confident94.7Very high253 Ų25363.8 Ų63.896%0.95532%0.316SS*.THydrogen-bonded Turntrans-64.9-25.6178.6-69.3-176-178.2-177.50.2113.6
282D91.1Very high95.1Very high94 Ų9462.4 Ų62.450%0.50330%0.303SS..THydrogen-bonded Turntrans-854.3176.560.47.4000112.6L280 R284L280-D282 WeakPolarHBondContact CB-OD1 3.29Å; L280-D282 PolarHBondContact O-N 2.85Å; D282-R284 VanDerWaalsContact C-N 3.32Å; D282-R284 PolarHBondContact O-N 2.83Å; D282-R284 WeakPolarHBondContact OD1-CB 3.31Å; D282-R284 PolarHBondContact OD1-N 3.16Å; D282-R284 VanDerWaalsContact OD1-N 3.1Å; D282-R284 IonicContact OD1-NE 3.88Å; D282-R284 IonicContact OD2-CZ 2.75Å; D282-R284 IonicContact OD2-NE 3.6Å; D282-R284 PolarHBondContact OD2-NE 2.84Å; D282-R284 IonicContact OD2-NH2 2.8Å; D282-R284 PolarHBondContact OD2-NH2 2.87Å
283G92Very high95.2Very high50 Ų5068.5 Ų68.552%0.51533%0.325SS..SBendtrans85.9-6.917900000114.8L280L280-G283 PolarHBondContact O-N 2.77Å
284R93.3Very high95.1Very high131 Ų13174.1 Ų74.149%0.49435%0.351SS..  trans-68.9138.3177.3-68.1-174.7-68.4153.2-0.6111T279 L280 D282T279-R284 WeakPolarHBondContact CA-O 3.29Å; L280-R284 HydrophobicContact CD1-CB 4.47Å; L280-R284 PolarHBondContact N-O 3.22Å; D282-R284 VanDerWaalsContact C-N 3.32Å; D282-R284 PolarHBondContact O-N 2.83Å; D282-R284 WeakPolarHBondContact OD1-CB 3.31Å; D282-R284 PolarHBondContact OD1-N 3.16Å; D282-R284 VanDerWaalsContact OD1-N 3.1Å; D282-R284 IonicContact OD1-NE 3.88Å; D282-R284 IonicContact OD2-CZ 2.75Å; D282-R284 IonicContact OD2-NE 3.6Å; D282-R284 PolarHBondContact OD2-NE 2.84Å; D282-R284 IonicContact OD2-NH2 2.8Å; D282-R284 PolarHBondContact OD2-NH2 2.87Å
285E95.3Very high95.1Very high141 Ų14174.9 Ų74.966%0.65936%0.357SS*.EExtended strand (participates in β ladder)trans-97.7124.1172.2-66.4-162.914600109.9V277 T279V277-E285 HydrophobicContact CG1-CB 3.76Å; V277-E285 HydrophobicContact CG1-CG 4.4Å; T279-E285 HydrophobicContact CG2-CG 4.37Å
286L96Very high95Very high25 Ų2571.9 Ų71.913%0.13135%0.346CS..EExtended strand (participates in β ladder)trans-133.5149.5180-83.4151.9000109.7V277 F278 L280 D290V277-L286 WeakPolarHBondContact CA-O 3.23Å; F278-L286 WeakPolarHBondContact CD1-O 3.28Å; F278-L286 PolarHBondContact N-O 2.92Å; F278-L286 PolarHBondContact O-N 3.46Å; L280-L286 HydrophobicContact CD1-CD1 3.5Å; L280-L286 VanDerWaalsContact CD1-CD1 3.5Å; L280-L286 HydrophobicContact CG-CD1 4.23Å; L286-D290 HydrophobicContact CD2-CB 3.78Å
287T97.5Very high94.9Very high21 Ų2175.7 Ų75.713%0.12937%0.371CS..EExtended strand (participates in β ladder)trans-69.6153.8167.175.70000109.6S274 Q276 V277 A289 D290 Y291S274-T287 WeakPolarHBondContact O-CG2 3.27Å; Q276-T287 CarbonylContact O-C 3.27Å; Q276-T287 VanDerWaalsContact O-CA 3.3Å; Q276-T287 WeakPolarHBondContact O-CA 3.09Å; V277-T287 HydrophobicContact CG2-CG2 4.11Å; T287-A289 PolarHBondContact O-N 3.22Å; T287-D290 WeakPolarHBondContact CG2-OD2 3.48Å; T287-D290 PolarHBondContact O-N 2.83Å; T287-D290 WeakPolarHBondContact OG1-CB 3.11Å; T287-D290 PolarHBondContact OG1-N 3.3Å; T287-D290 PolarHBondContact OG1-OD2 3.38Å; T287-Y291 PolarHBondContact O-N 2.92Å
288V97.7Very high95Very high2 Ų275.5 Ų75.51%0.01238%0.376CS..Hα-helixtrans-58.1-38.5174.1177.50000110.5A273 Q276 F278 F292 V306 Y317 P319A273-V288 HydrophobicContact CB-CB 4.33Å; A273-V288 HydrophobicContact CB-CG1 4.37Å; A273-V288 PolarHBondContact O-N 2.96Å; Q276-V288 HydrophobicContact CB-CG2 4.08Å; Q276-V288 HydrophobicContact CG-CG2 3.99Å; Q276-V288 WeakPolarHBondContact O-CG2 3.15Å; Q276-V288 PolarHBondContact O-N 3.32Å; F278-V288 HydrophobicContact CD1-CG2 4.05Å; F278-V288 HydrophobicContact CE1-CG2 4.34Å; V288-F292 HydrophobicContact CG1-CD2 3.86Å; V288-F292 HydrophobicContact CG1-CE2 3.99Å; V288-F292 VanDerWaalsContact O-CD2 3.32Å; V288-F292 WeakPolarHBondContact O-CD2 3.28Å; V288-F292 PolarHBondContact O-N 3.5Å; V288-V306 HydrophobicContact CB-CG1 4.28Å; V288-V306 HydrophobicContact CG1-CG1 4.05Å; V288-V306 HydrophobicContact CG2-CG1 4.42Å; V288-Y317 HydrophobicContact CG2-CG 4.31Å; V288-P319 HydrophobicContact CG1-CG 3.58Å
289A97.8Very high95.2Very high5 Ų574.2 Ų74.24%0.04137%0.372CS..Hα-helixtrans-63.8-43177.600000112.7A273 T287 F292 R293 L299 P302A273-A289 HydrophobicContact CB-CB 4.3Å; A273-A289 WeakPolarHBondContact O-CB 3.44Å; A273-A289 PolarHBondContact O-N 3.39Å; T287-A289 PolarHBondContact O-N 3.22Å; A289-F292 PolarHBondContact O-N 2.87Å; A289-R293 PolarHBondContact O-N 2.7Å; A289-L299 HydrophobicContact CB-CD1 4.28Å; A289-P302 HydrophobicContact CB-CB 4.26Å
290D97.7Very high95.4Very high48 Ų4878.7 Ų78.726%0.25738%0.379SS..Hα-helixtrans-67.5-43.9179.4-59.9-35.1000111.2L286 T287 F292 R293 E294L286-D290 HydrophobicContact CD2-CB 3.78Å; T287-D290 WeakPolarHBondContact CG2-OD2 3.48Å; T287-D290 PolarHBondContact O-N 2.83Å; T287-D290 WeakPolarHBondContact OG1-CB 3.11Å; T287-D290 PolarHBondContact OG1-N 3.3Å; T287-D290 PolarHBondContact OG1-OD2 3.38Å; D290-F292 VanDerWaalsContact C-N 3.33Å; D290-F292 PolarHBondContact O-N 2.94Å; D290-R293 WeakPolarHBondContact O-CB 3.13Å; D290-R293 PolarHBondContact O-N 3.13Å; D290-R293 VanDerWaalsContact O-N 3.11Å; D290-R293 IonicContact OD1-CZ 2.81Å; D290-R293 IonicContact OD1-NH1 3.9Å; D290-R293 PolarHBondContact OD1-NH1 3.36Å; D290-R293 IonicContact OD1-NH2 2.87Å; D290-R293 PolarHBondContact OD1-NH2 2.95Å; D290-E294 WeakPolarHBondContact O-CG 3.49Å; D290-E294 PolarHBondContact O-N 2.87Å
291Y97.5Very high95.7Very high61 Ų6179.2 Ų79.224%0.23938%0.379CS..Hα-helixtrans-58.5-43.1174.7173.2-103.5000112.7F278 L280 T287 R293 E294 S295 Y296F278-Y291 HydrophobicContact CE1-CD1 4.37Å; F278-Y291 HydrophobicContact CE1-CG 4.04Å; F278-Y291 AromaticContact CZ-CD1 3.84Å; F278-Y291 HydrophobicContact CZ-CD1 3.84Å; F278-Y291 AromaticContact CZ-CD2 3.86Å; F278-Y291 HydrophobicContact CZ-CD2 3.86Å; F278-Y291 HydrophobicContact CZ-CE1 4.39Å; F278-Y291 HydrophobicContact CZ-CE2 4.42Å; F278-Y291 AromaticContact CZ-CG 3.53Å; F278-Y291 HydrophobicContact CZ-CG 3.53Å; L280-Y291 HydrophobicContact CD2-CD2 4Å; L280-Y291 HydrophobicContact CD2-CE2 4.02Å; T287-Y291 PolarHBondContact O-N 2.92Å; Y291-R293 VanDerWaalsContact C-N 3.33Å; Y291-R293 PolarHBondContact O-N 2.94Å; Y291-E294 PolarHBondContact O-N 3.47Å; Y291-S295 VanDerWaalsContact CE2-OG 3.29Å; Y291-S295 WeakPolarHBondContact CE2-OG 2.99Å; Y291-S295 VanDerWaalsContact O-CB 3.29Å; Y291-S295 WeakPolarHBondContact O-CB 3.38Å; Y291-S295 PolarHBondContact O-N 3.1Å; Y291-S295 PolarHBondContact O-OG 3.38Å; Y291-Y296 HydrophobicContact CE1-CD2 4.34Å; Y291-Y296 AromaticContact CE1-CE2 3.74Å; Y291-Y296 HydrophobicContact CE1-CE2 3.74Å
292F97.7Very high96.1Very high6 Ų668.7 Ų68.73%0.02634%0.344CS..Hα-helixtrans-66.3-35.2176.6-93.5-99.6000112.4H257 V288 A289 D290 Y296 V297 L299 P319 V322H257-F292 HydrophobicContact CB-CE1 4.01Å; H257-F292 AromaticContact CG-CE1 3.81Å; V288-F292 HydrophobicContact CG1-CD2 3.86Å; V288-F292 HydrophobicContact CG1-CE2 3.99Å; V288-F292 VanDerWaalsContact O-CD2 3.32Å; V288-F292 WeakPolarHBondContact O-CD2 3.28Å; V288-F292 PolarHBondContact O-N 3.5Å; A289-F292 PolarHBondContact O-N 2.87Å; D290-F292 VanDerWaalsContact C-N 3.33Å; D290-F292 PolarHBondContact O-N 2.94Å; F292-Y296 HydrophobicContact CD1-CD2 4.02Å; F292-Y296 HydrophobicContact CD1-CG 4.46Å; F292-Y296 HydrophobicContact CE1-CD2 4.15Å; F292-Y296 HydrophobicContact CG-CD2 4.37Å; F292-Y296 CarbonylContact O-C 3.59Å; F292-Y296 VanDerWaalsContact O-CA 3.31Å; F292-Y296 WeakPolarHBondContact O-CA 3.28Å; F292-Y296 PolarHBondContact O-N 3.25Å; F292-V297 CarbonylContact O-C 3.59Å; F292-V297 PolarHBondContact O-N 3.24Å; F292-V297 VanDerWaalsContact O-N 3.1Å; F292-L299 HydrophobicContact CB-CD1 4.38Å; F292-L299 HydrophobicContact CB-CD2 4.17Å; F292-L299 HydrophobicContact CB-CG 4.03Å; F292-L299 HydrophobicContact CD1-CD2 3.92Å; F292-L299 HydrophobicContact CG-CD2 4.08Å; F292-L299 HydrophobicContact CG-CG 4.4Å; F292-P319 HydrophobicContact CD2-CG 3.89Å; F292-P319 HydrophobicContact CE1-CG 4.36Å; F292-P319 HydrophobicContact CE2-CG 3.65Å; F292-P319 HydrophobicContact CG-CG 4.34Å; F292-P319 VanDerWaalsContact CZ-CD 3.49Å; F292-P319 HydrophobicContact CZ-CG 3.91Å; F292-V322 HydrophobicContact CE1-CB 4.44Å; F292-V322 HydrophobicContact CE1-CG1 4.02Å; F292-V322 HydrophobicContact CE1-CG2 3.87Å; F292-V322 HydrophobicContact CZ-CG2 3.93Å
293R97.1Very high96.5Very high139 Ų13969.7 Ų69.753%0.52534%0.34SS..Hα-helixtrans-65.4-41.5174.2-167.8-175.5-52.9103.93.1112.1A289 D290 Y291 A298A289-R293 PolarHBondContact O-N 2.7Å; D290-R293 WeakPolarHBondContact O-CB 3.13Å; D290-R293 PolarHBondContact O-N 3.13Å; D290-R293 VanDerWaalsContact O-N 3.11Å; D290-R293 IonicContact OD1-CZ 2.81Å; D290-R293 IonicContact OD1-NH1 3.9Å; D290-R293 PolarHBondContact OD1-NH1 3.36Å; D290-R293 IonicContact OD1-NH2 2.87Å; D290-R293 PolarHBondContact OD1-NH2 2.95Å; Y291-R293 VanDerWaalsContact C-N 3.33Å; Y291-R293 PolarHBondContact O-N 2.94Å; R293-A298 HydrophobicContact CG-CB 4.25Å
294E95.9Very high96.7Very high119 Ų11967.6 Ų67.656%0.55632%0.317SS*.Hα-helixtrans-76.2-41.5-179.1-71.5178.3-155.200113.1D290 Y291D290-E294 WeakPolarHBondContact O-CG 3.49Å; D290-E294 PolarHBondContact O-N 2.87Å; Y291-E294 PolarHBondContact O-N 3.47Å
295S95.2Very high96.9Very high61 Ų6161.5 Ų61.543%0.42729%0.294SS..Hα-helixtrans-100.2-19.4-170-59.60000114.4Y291Y291-S295 VanDerWaalsContact CE2-OG 3.29Å; Y291-S295 WeakPolarHBondContact CE2-OG 2.99Å; Y291-S295 VanDerWaalsContact O-CB 3.29Å; Y291-S295 WeakPolarHBondContact O-CB 3.38Å; Y291-S295 PolarHBondContact O-N 3.1Å; Y291-S295 PolarHBondContact O-OG 3.38Å
296Y95.5Very high97.1Very high90 Ų9054.8 Ų54.835%0.35326%0.263SS..SBendtrans-139.9-119.1-174.6-57.6-74.6000110.7H257 Y291 F292H257-Y296 AromaticContact CD2-CE1 3.76Å; H257-Y296 AromaticContact CD2-CZ 3.76Å; Y291-Y296 HydrophobicContact CE1-CD2 4.34Å; Y291-Y296 AromaticContact CE1-CE2 3.74Å; Y291-Y296 HydrophobicContact CE1-CE2 3.74Å; F292-Y296 HydrophobicContact CD1-CD2 4.02Å; F292-Y296 HydrophobicContact CD1-CG 4.46Å; F292-Y296 HydrophobicContact CE1-CD2 4.15Å; F292-Y296 HydrophobicContact CG-CD2 4.37Å; F292-Y296 CarbonylContact O-C 3.59Å; F292-Y296 VanDerWaalsContact O-CA 3.31Å; F292-Y296 WeakPolarHBondContact O-CA 3.28Å; F292-Y296 PolarHBondContact O-N 3.25Å
297V94.4Very high97.2Very high114 Ų11453.6 Ų53.669%0.69126%0.257SS*.  trans-121.8143179.4-177.50000108.1F292 L299F292-V297 CarbonylContact O-C 3.59Å; F292-V297 PolarHBondContact O-N 3.24Å; F292-V297 VanDerWaalsContact O-N 3.1Å; V297-L299 PolarHBondContact O-N 2.91Å
298A97.3Very high97.2Very high58 Ų5854.4 Ų54.448%0.47926%0.259SS..  trans-56.6130.5173.400000111.1R293R293-A298 HydrophobicContact CG-CB 4.25Å
299L97.9Very high97.1Very high23 Ų2354.3 Ų54.312%0.1226%0.259CS..  trans-67136.7178.7-60175.5000110.6A273 A289 F292 V297 P319 V322A273-L299 HydrophobicContact CB-CD1 3.6Å; A289-L299 HydrophobicContact CB-CD1 4.28Å; F292-L299 HydrophobicContact CB-CD1 4.38Å; F292-L299 HydrophobicContact CB-CD2 4.17Å; F292-L299 HydrophobicContact CB-CG 4.03Å; F292-L299 HydrophobicContact CD1-CD2 3.92Å; F292-L299 HydrophobicContact CG-CD2 4.08Å; F292-L299 HydrophobicContact CG-CG 4.4Å; V297-L299 PolarHBondContact O-N 2.91Å; L299-P319 HydrophobicContact CD1-CB 3.9Å; L299-P319 HydrophobicContact CD1-CG 3.67Å; L299-P319 HydrophobicContact CD2-CB 3.87Å; L299-P319 HydrophobicContact CD2-CG 3.91Å; L299-P319 HydrophobicContact CG-CG 4.45Å; L299-V322 HydrophobicContact CD2-CG1 4.28Å
300R97.5Very high96.7Very high177 Ų17756.1 Ų56.167%0.66828%0.277SS*.SBendtrans-74.8-32.9173.9-59.8174.9-169.5-175.32.4111.1S232 P302 E321S232-R300 VanDerWaalsContact CA-O 3.29Å; S232-R300 WeakPolarHBondContact CA-O 3.43Å; S232-R300 VanDerWaalsContact CB-O 3.29Å; S232-R300 WeakPolarHBondContact CB-O 3.32Å; R300-P302 VanDerWaalsContact O-CD 3.25Å; R300-P302 WeakPolarHBondContact O-CD 3.29Å; R300-E321 VanDerWaalsContact CB-OE1 3.27Å; R300-E321 WeakPolarHBondContact CB-OE1 3.45Å; R300-E321 VanDerWaalsContact CD-OE1 3.28Å; R300-E321 WeakPolarHBondContact CD-OE1 3.38Å; R300-E321 WeakPolarHBondContact CG-OE1 3.2Å; R300-E321 PolarHBondContact N-OE1 3.37Å; R300-E321 PolarHBondContact N-OE2 3.05Å; R300-E321 IonicContact NE-OE1 3.43Å
301Y97.4Very high96.2Very high46 Ų4656.8 Ų56.818%0.1829%0.286CS..  trans-119.461.9-175.9-42.2-62.4000112.4L209 I230 R303 M304 E321L209-Y301 HydrophobicContact CD1-CD2 3.85Å; L209-Y301 HydrophobicContact CD1-CE2 3.72Å; I230-Y301 HydrophobicContact CB-CD1 4.38Å; I230-Y301 HydrophobicContact CB-CE1 4.23Å; I230-Y301 HydrophobicContact CG2-CD1 3.54Å; I230-Y301 HydrophobicContact CG2-CD2 4.4Å; I230-Y301 HydrophobicContact CG2-CE1 3.88Å; I230-Y301 HydrophobicContact CG2-CG 3.81Å; I230-Y301 WeakPolarHBondContact O-CE1 3.38Å; Y301-R303 PolarHBondContact O-N 3.06Å; Y301-R303 VanDerWaalsContact O-N 3.14Å; Y301-M304 WeakPolarHBondContact O-CB 3.18Å; Y301-M304 PolarHBondContact O-N 3.45Å; Y301-E321 HydrophobicContact CD2-CB 4.14Å; Y301-E321 HydrophobicContact CD2-CG 3.84Å; Y301-E321 WeakPolarHBondContact CD2-OE2 3.45Å; Y301-E321 HydrophobicContact CE2-CG 4.11Å; Y301-E321 PolarHBondContact N-OE2 3.48Å
302P97.5Very high95.4Very high32 Ų3262.3 Ų62.321%0.20831%0.311CS..THydrogen-bonded Turntrans-66-18.6-174.329.2-36.7000113.7A273 S274 A289 R300A273-P302 PolarHBondContact N-O 2.87Å; A273-P302 VanDerWaalsContact N-O 3.11Å; S274-P302 PolarHBondContact N-O 2.78Å; A289-P302 HydrophobicContact CB-CB 4.26Å; R300-P302 VanDerWaalsContact O-CD 3.25Å; R300-P302 WeakPolarHBondContact O-CD 3.29Å
303R97.6Very high94.6Very high114 Ų11469.5 Ų69.543%0.4335%0.35SS..THydrogen-bonded Turntrans-87.8-0.6175.2-64.1-158.3-172.2178.8-3.2114.6T234 R235 D272 Y301T234-R303 CarbonylContact O-C 3.6Å; T234-R303 VanDerWaalsContact O-C 3.27Å; T234-R303 VanDerWaalsContact O-CB 3.24Å; T234-R303 WeakPolarHBondContact O-CB 3.37Å; R235-R303 HydrophobicContact CB-CB 4.41Å; D272-R303 VanDerWaalsContact CB-C 3.4Å; D272-R303 WeakPolarHBondContact CB-O 3.37Å; Y301-R303 PolarHBondContact O-N 3.06Å; Y301-R303 VanDerWaalsContact O-N 3.14Å
304M97.9Very high94.2Very high6 Ų673 Ų733%0.0336%0.363CS..SBendtrans-80.2150.9169.5-72.8-67.5-75.500111.2L209 I212 I230 T234 L236 D272 A273 Y301 V320L209-M304 HydrophobicContact CD2-CE 3.89Å; I212-M304 HydrophobicContact CD1-CE 4.47Å; I230-M304 HydrophobicContact CD1-CE 4.32Å; I230-M304 HydrophobicContact CG2-CG 4.13Å; I230-M304 HydrophobicContact CG2-SD 4.34Å; T234-M304 HydrophobicContact CG2-SD 4.15Å; L236-M304 HydrophobicContact CD1-CE 4.47Å; L236-M304 HydrophobicContact CD2-SD 4.45Å; L236-M304 HydrophobicContact CG-CE 4.48Å; L236-M304 HydrophobicContact CG-SD 4.29Å; D272-M304 VanDerWaalsContact CA-O 3.27Å; D272-M304 WeakPolarHBondContact CA-O 3.32Å; D272-M304 WeakPolarHBondContact CB-O 3.16Å; A273-M304 PolarHBondContact N-O 3.42Å; A273-M304 VanDerWaalsContact N-O 3.12Å; Y301-M304 WeakPolarHBondContact O-CB 3.18Å; Y301-M304 PolarHBondContact O-N 3.45Å; M304-V320 HydrophobicContact CB-CG2 3.78Å; M304-V320 HydrophobicContact CE-CG2 4.35Å
305P97.5Very high94Very high3 Ų368.9 Ų68.92%0.01935%0.348CS..EExtended strand (participates in β ladder)trans-62.5161.2-178.426.7-36.4000113.1L236 L241 I269 V320L236-P305 HydrophobicContact CD1-CG 4Å; L241-P305 HydrophobicContact CD2-CB 3.73Å; L241-P305 HydrophobicContact CD2-CG 3.9Å; I269-P305 HydrophobicContact CD1-CB 3.52Å; I269-P305 HydrophobicContact CD1-CG 3.65Å; I269-P305 HydrophobicContact CG1-CB 3.7Å; I269-P305 HydrophobicContact CG1-CG 4.35Å; P305-V320 HydrophobicContact CG-CG1 4.43Å; P305-V320 VanDerWaalsContact O-CG1 3.24Å; P305-V320 WeakPolarHBondContact O-CG1 3.49Å; P305-V320 WeakPolarHBondContact O-CG2 3.5Å
306V98.2Very high94Very high0 Ų069.1 Ų69.10%034%0.344CS..EExtended strand (participates in β ladder)trans-105143.6168.8-54.10000110.9I269 A270 A271 A273 Q276 V288 Y317 L318 P319I269-V306 WeakPolarHBondContact CG1-O 3.39Å; A270-V306 HydrophobicContact CB-CG2 3.79Å; A270-V306 PolarHBondContact N-O 3.08Å; A271-V306 PolarHBondContact O-N 2.94Å; A273-V306 HydrophobicContact CB-CG1 3.61Å; Q276-V306 HydrophobicContact CB-CG2 4.03Å; Q276-V306 HydrophobicContact CG-CG2 3.86Å; V288-V306 HydrophobicContact CB-CG1 4.28Å; V288-V306 HydrophobicContact CG1-CG1 4.05Å; V288-V306 HydrophobicContact CG2-CG1 4.42Å; V306-Y317 HydrophobicContact CG2-CD1 3.8Å; V306-Y317 HydrophobicContact CG2-CG 4.23Å; V306-L318 CarbonylContact C-O 3.49Å; V306-L318 WeakPolarHBondContact CA-O 3.37Å; V306-P319 HydrophobicContact CG1-CG 4.46Å
307L98.2Very high94Very high0 Ų067.2 Ų67.20%034%0.336CS..EExtended strand (participates in β ladder)trans-76.6140.1169.3-58.4177.1000109.7V208 V248 V253 I266 Y317 L318 V320 C323V208-L307 HydrophobicContact CG1-CD1 4.1Å; V208-L307 HydrophobicContact CG1-CD2 4.37Å; V208-L307 HydrophobicContact CG2-CD1 4.16Å; V248-L307 HydrophobicContact CB-CD2 4.19Å; V248-L307 HydrophobicContact CG1-CD2 4.11Å; V248-L307 HydrophobicContact CG2-CD2 4.13Å; V253-L307 HydrophobicContact CG1-CD1 4.05Å; V253-L307 HydrophobicContact CG2-CD1 4.15Å; I266-L307 HydrophobicContact CD1-CB 3.81Å; I266-L307 HydrophobicContact CD1-CD1 3.92Å; I266-L307 HydrophobicContact CD1-CG 4.45Å; I266-L307 HydrophobicContact CG1-CB 4.42Å; I266-L307 HydrophobicContact CG1-CD1 4.1Å; I266-L307 HydrophobicContact CG2-CB 4.36Å; I266-L307 HydrophobicContact CG2-CD2 4.32Å; L307-Y317 CarbonylContact O-C 3.07Å; L307-Y317 WeakPolarHBondContact O-CA 3.32Å; L307-L318 HydrophobicContact CB-CB 4.42Å; L307-L318 PolarHBondContact N-O 3.23Å; L307-L318 PolarHBondContact O-N 2.87Å; L307-V320 HydrophobicContact CD2-CG1 4.09Å; L307-V320 HydrophobicContact CG-CG1 3.98Å; L307-C323 HydrophobicContact CD1-CB 4.02Å
308Q97.1Very high94.2Very high39 Ų3962 Ų6218%0.18230%0.304CS..EExtended strand (participates in β ladder)trans-102.1124.5172.5-169.4-176.110.400109.7I266 I267 G268 S315 I316 Y317I266-Q308 CarbonylContact C-O 3.53Å; I266-Q308 WeakPolarHBondContact CA-O 3.46Å; I267-Q308 HydrophobicContact CD1-CG 3.99Å; I267-Q308 HydrophobicContact CG1-CB 4.19Å; I267-Q308 HydrophobicContact CG1-CG 3.87Å; I267-Q308 WeakPolarHBondContact CG1-O 3.34Å; I267-Q308 PolarHBondContact N-O 2.88Å; G268-Q308 PolarHBondContact N-O 3.4Å; G268-Q308 PolarHBondContact O-N 3.39Å; Q308-S315 PolarHBondContact NE2-OG 3.31Å; Q308-I316 CarbonylContact C-O 3.59Å; Q308-I316 WeakPolarHBondContact CA-O 3.42Å; Q308-Y317 HydrophobicContact CB-CD1 4.31Å; Q308-Y317 HydrophobicContact CB-CE1 4.19Å; Q308-Y317 HydrophobicContact CG-CD1 4.25Å; Q308-Y317 HydrophobicContact CG-CE1 3.81Å
309A95.7Very high94.2Very high0 Ų059.5 Ų59.50%028%0.283CS..EExtended strand (participates in β ladder)trans-124.4178.3174.200000110.9Y264 I266 I316 L318Y264-A309 HydrophobicContact CD1-CB 4.1Å; Y264-A309 HydrophobicContact CG-CB 4.47Å; I266-A309 HydrophobicContact CD1-CB 4.02Å; A309-I316 HydrophobicContact CB-CB 4.31Å; A309-I316 PolarHBondContact N-O 3.44Å; A309-I316 PolarHBondContact O-N 3.46Å; A309-L318 HydrophobicContact CB-CD1 4.45Å
310G90.5Very high94.2Very high42 Ų4258.5 Ų58.543%0.43328%0.278SS..EExtended strand (participates in β ladder)trans83.2-145.5-178.500000112.4
311S87Confident94.2Very high62 Ų6252.2 Ų52.243%0.43426%0.256SS..EExtended strand (participates in β ladder)trans-106.9162.4174.571.90000110.1N313 R314 S315S311-N313 PolarHBondContact O-N 3.19Å; S311-R314 PolarHBondContact N-O 3.16Å; S311-R314 CarbonylContact O-C 3.52Å; S311-R314 PolarHBondContact O-N 3.14Å; S311-R314 VanDerWaalsContact O-N 3.12Å; S311-R314 PolarHBondContact OG-N 3.32Å; S311-R314 VanDerWaalsContact OG-N 3.1Å; S311-S315 WeakPolarHBondContact O-CA 3.49Å; S311-S315 PolarHBondContact O-N 2.98Å; S311-S315 VanDerWaalsContact O-N 3.09Å; S311-S315 PolarHBondContact O-OG 2.88Å
312K80.6Confident94.2Very high177 Ų17750.7 Ų50.777%0.7725%0.251SS*.THydrogen-bonded Turntrans-54.5-38.1175.7-67.1-174.9177.9-177.10112S315K312-S315 PolarHBondContact O-OG 3.22Å
313N81.7Confident94.3Very high158 Ų15849.1 Ų49.185%0.84524%0.242SC*.THydrogen-bonded Turntrans-84.3-16.4-177.2-58-0.7000113.4S311S311-N313 PolarHBondContact O-N 3.19Å
314R87.3Confident94.3Very high211 Ų21146.5 Ų46.580%0.79624%0.236SC*.EExtended strand (participates in β ladder)trans-13769.5174.9-74.7-172.8179.1172.20.6108.6S311S311-R314 PolarHBondContact N-O 3.16Å; S311-R314 CarbonylContact O-C 3.52Å; S311-R314 PolarHBondContact O-N 3.14Å; S311-R314 VanDerWaalsContact O-N 3.12Å; S311-R314 PolarHBondContact OG-N 3.32Å; S311-R314 VanDerWaalsContact OG-N 3.1Å
315S92.1Very high94.3Very high34 Ų3446.4 Ų46.424%0.23824%0.236CC..EExtended strand (participates in β ladder)trans-70.7139.8-178-68.10000110.5Q308 S311 K312Q308-S315 PolarHBondContact NE2-OG 3.31Å; S311-S315 WeakPolarHBondContact O-CA 3.49Å; S311-S315 PolarHBondContact O-N 2.98Å; S311-S315 VanDerWaalsContact O-N 3.09Å; S311-S315 PolarHBondContact O-OG 2.88Å; K312-S315 PolarHBondContact O-OG 3.22Å
316I94.7Very high94.2Very high66 Ų6646.2 Ų46.234%0.33824%0.235SC..EExtended strand (participates in β ladder)trans-114.3121.8171.1-58.2174.5000106.2Y264 Q308 A309 L318Y264-I316 HydrophobicContact CD1-CD1 4.42Å; Y264-I316 HydrophobicContact CE1-CD1 4Å; Q308-I316 CarbonylContact C-O 3.59Å; Q308-I316 WeakPolarHBondContact CA-O 3.42Å; A309-I316 HydrophobicContact CB-CB 4.31Å; A309-I316 PolarHBondContact N-O 3.44Å; A309-I316 PolarHBondContact O-N 3.46Å; I316-L318 HydrophobicContact CG2-CD2 3.91Å; I316-L318 HydrophobicContact CG2-CG 4.09Å
317Y97Very high93.9Very high50 Ų5052.3 Ų52.320%0.19626%0.263CS..EExtended strand (participates in β ladder)trans-101.4124.6177.7-61.4-70.7000110.2A270 Q276 F278 V288 V306 L307 Q308A270-Y317 HydrophobicContact CB-CD1 4.08Å; A270-Y317 HydrophobicContact CB-CE1 3.81Å; Q276-Y317 HydrophobicContact CG-CD1 3.95Å; Q276-Y317 HydrophobicContact CG-CD2 4.2Å; Q276-Y317 HydrophobicContact CG-CE1 4.12Å; Q276-Y317 HydrophobicContact CG-CE2 4.37Å; Q276-Y317 HydrophobicContact CG-CG 3.99Å; F278-Y317 HydrophobicContact CB-CD2 3.95Å; F278-Y317 HydrophobicContact CB-CE2 4.05Å; V288-Y317 HydrophobicContact CG2-CG 4.31Å; V306-Y317 HydrophobicContact CG2-CD1 3.8Å; V306-Y317 HydrophobicContact CG2-CG 4.23Å; L307-Y317 CarbonylContact O-C 3.07Å; L307-Y317 WeakPolarHBondContact O-CA 3.32Å; Q308-Y317 HydrophobicContact CB-CD1 4.31Å; Q308-Y317 HydrophobicContact CB-CE1 4.19Å; Q308-Y317 HydrophobicContact CG-CD1 4.25Å; Q308-Y317 HydrophobicContact CG-CE1 3.81Å
318L97.3Very high93.7Very high5 Ų556.3 Ų56.33%0.02628%0.28CS..EExtended strand (participates in β ladder)trans-122.3115-177-58.7173.5000109.1V253 V255 Y264 V306 L307 A309 I316 V320 C323V253-L318 HydrophobicContact CG2-CD1 4.35Å; V255-L318 HydrophobicContact CG1-CD1 3.92Å; V255-L318 HydrophobicContact CG1-CD2 4Å; Y264-L318 HydrophobicContact CD1-CD1 4.27Å; Y264-L318 HydrophobicContact CD2-CD1 4.07Å; Y264-L318 HydrophobicContact CG-CD1 3.88Å; V306-L318 CarbonylContact C-O 3.49Å; V306-L318 WeakPolarHBondContact CA-O 3.37Å; L307-L318 HydrophobicContact CB-CB 4.42Å; L307-L318 PolarHBondContact N-O 3.23Å; L307-L318 PolarHBondContact O-N 2.87Å; A309-L318 HydrophobicContact CB-CD1 4.45Å; I316-L318 HydrophobicContact CG2-CD2 3.91Å; I316-L318 HydrophobicContact CG2-CG 4.09Å; L318-V320 PolarHBondContact O-N 2.86Å; L318-C323 VanDerWaalsContact CB-SG 3.58Å
319P98.2Very high93.5Very high5 Ų555.1 Ų55.13%0.03228%0.275CS..EExtended strand (participates in β ladder)trans-54.3137.3172.1-2534000111.3V288 F292 L299 V306 E321 V322 C323V288-P319 HydrophobicContact CG1-CG 3.58Å; F292-P319 HydrophobicContact CD2-CG 3.89Å; F292-P319 HydrophobicContact CE1-CG 4.36Å; F292-P319 HydrophobicContact CE2-CG 3.65Å; F292-P319 HydrophobicContact CG-CG 4.34Å; F292-P319 VanDerWaalsContact CZ-CD 3.49Å; F292-P319 HydrophobicContact CZ-CG 3.91Å; L299-P319 HydrophobicContact CD1-CB 3.9Å; L299-P319 HydrophobicContact CD1-CG 3.67Å; L299-P319 HydrophobicContact CD2-CB 3.87Å; L299-P319 HydrophobicContact CD2-CG 3.91Å; L299-P319 HydrophobicContact CG-CG 4.45Å; V306-P319 HydrophobicContact CG1-CG 4.46Å; P319-E321 PolarHBondContact O-N 2.9Å; P319-V322 HydrophobicContact CB-CG2 4.12Å; P319-V322 HydrophobicContact CG-CG2 4.32Å; P319-V322 VanDerWaalsContact O-CG2 3.23Å; P319-V322 WeakPolarHBondContact O-CG2 3.4Å; P319-V322 PolarHBondContact O-N 2.79Å; P319-V322 VanDerWaalsContact O-N 3.08Å; P319-C323 PolarHBondContact O-SG 2.95Å
320V98.1Very high93.5Very high2 Ų261.5 Ų61.51%0.01230%0.299CS..G310 helixtrans-60.7-27.4-178.6-68.80000112.8V208 L209 I212 M304 P305 L307 L318 V322 C323V208-V320 HydrophobicContact CG1-CB 3.93Å; V208-V320 HydrophobicContact CG1-CG1 3.86Å; L209-V320 HydrophobicContact CD2-CB 4.32Å; L209-V320 HydrophobicContact CD2-CG2 3.62Å; L209-V320 HydrophobicContact CG-CG2 4.48Å; I212-V320 HydrophobicContact CD1-CB 4.02Å; I212-V320 HydrophobicContact CD1-CG1 3.69Å; I212-V320 HydrophobicContact CD1-CG2 4.32Å; M304-V320 HydrophobicContact CB-CG2 3.78Å; M304-V320 HydrophobicContact CE-CG2 4.35Å; P305-V320 HydrophobicContact CG-CG1 4.43Å; P305-V320 VanDerWaalsContact O-CG1 3.24Å; P305-V320 WeakPolarHBondContact O-CG1 3.49Å; P305-V320 WeakPolarHBondContact O-CG2 3.5Å; L307-V320 HydrophobicContact CD2-CG1 4.09Å; L307-V320 HydrophobicContact CG-CG1 3.98Å; L318-V320 PolarHBondContact O-N 2.86Å; V320-V322 VanDerWaalsContact C-N 3.27Å; V320-V322 PolarHBondContact O-N 2.9Å; V320-C323 PolarHBondContact O-N 3.49Å
321E97.4Very high93.6Very high44 Ų4461.7 Ų61.721%0.20629%0.287CS..G310 helixtrans-63.9-30.2177-174.8-179.7166.700113L209 R300 Y301 P319L209-E321 HydrophobicContact CD1-CB 4.31Å; L209-E321 HydrophobicContact CD1-CG 4.34Å; R300-E321 VanDerWaalsContact CB-OE1 3.27Å; R300-E321 WeakPolarHBondContact CB-OE1 3.45Å; R300-E321 VanDerWaalsContact CD-OE1 3.28Å; R300-E321 WeakPolarHBondContact CD-OE1 3.38Å; R300-E321 WeakPolarHBondContact CG-OE1 3.2Å; R300-E321 PolarHBondContact N-OE1 3.37Å; R300-E321 PolarHBondContact N-OE2 3.05Å; R300-E321 IonicContact NE-OE1 3.43Å; Y301-E321 HydrophobicContact CD2-CB 4.14Å; Y301-E321 HydrophobicContact CD2-CG 3.84Å; Y301-E321 WeakPolarHBondContact CD2-OE2 3.45Å; Y301-E321 HydrophobicContact CE2-CG 4.11Å; Y301-E321 PolarHBondContact N-OE2 3.48Å; P319-E321 PolarHBondContact O-N 2.9Å
322V97.3Very high93.4Very high14 Ų1462 Ų629%0.08530%0.3CS..G310 helixtrans-100.618-176.7-56.90000113V255 T256 H257 F292 L299 P319 V320V255-V322 CarbonylContact C-O 3.48Å; V255-V322 VanDerWaalsContact CA-O 3.26Å; V255-V322 WeakPolarHBondContact CA-O 3.37Å; T256-V322 PolarHBondContact N-O 3.4Å; T256-V322 VanDerWaalsContact OG1-CA 3.31Å; T256-V322 WeakPolarHBondContact OG1-CA 3.4Å; T256-V322 PolarHBondContact OG1-O 3.28Å; H257-V322 HydrophobicContact CB-CB 4.23Å; H257-V322 HydrophobicContact CB-CG1 4.21Å; F292-V322 HydrophobicContact CE1-CB 4.44Å; F292-V322 HydrophobicContact CE1-CG1 4.02Å; F292-V322 HydrophobicContact CE1-CG2 3.87Å; F292-V322 HydrophobicContact CZ-CG2 3.93Å; L299-V322 HydrophobicContact CD2-CG1 4.28Å; P319-V322 HydrophobicContact CB-CG2 4.12Å; P319-V322 HydrophobicContact CG-CG2 4.32Å; P319-V322 VanDerWaalsContact O-CG2 3.23Å; P319-V322 WeakPolarHBondContact O-CG2 3.4Å; P319-V322 PolarHBondContact O-N 2.79Å; P319-V322 VanDerWaalsContact O-N 3.08Å; V320-V322 VanDerWaalsContact C-N 3.27Å; V320-V322 PolarHBondContact O-N 2.9Å
323C98.1Very high93Very high0 Ų056.1 Ų56.10%029%0.285CS..EExtended strand (participates in β ladder)trans-123.8139.1-175.1-63.50000112.1V208 V253 T254 L307 L318 P319 V320V208-C323 HydrophobicContact CB-CB 4Å; V208-C323 HydrophobicContact CG2-CB 3.51Å; V208-C323 WeakPolarHBondContact CG2-O 3.42Å; V208-C323 PolarHBondContact N-O 3.22Å; V253-C323 HydrophobicContact CB-CB 4.36Å; V253-C323 HydrophobicContact CG2-CB 4.41Å; T254-C323 WeakPolarHBondContact O-CA 3.22Å; L307-C323 HydrophobicContact CD1-CB 4.02Å; L318-C323 VanDerWaalsContact CB-SG 3.58Å; P319-C323 PolarHBondContact O-SG 2.95Å; V320-C323 PolarHBondContact O-N 3.49Å
324N98Very high92.7Very high58 Ų5851 Ų5131%0.3127%0.268SS..EExtended strand (participates in β ladder)trans-118.5143.3169.8-68.5-26000110.1Q206 S207 V253 T254 T256 A326Q206-N324 CarbonylContact O-C 3.57Å; Q206-N324 WeakPolarHBondContact O-CA 3.24Å; S207-N324 WeakPolarHBondContact CA-OD1 3.29Å; V253-N324 CarbonylContact C-O 3.14Å; V253-N324 WeakPolarHBondContact CA-O 3.26Å; V253-N324 VanDerWaalsContact CB-O 3.26Å; V253-N324 WeakPolarHBondContact CB-O 3.2Å; T254-N324 PolarHBondContact N-O 3.31Å; T254-N324 PolarHBondContact O-N 3.22Å; T256-N324 VanDerWaalsContact CG2-ND2 3.3Å; T256-N324 WeakPolarHBondContact CG2-ND2 3.37Å; N324-A326 PolarHBondContact O-N 3.39Å
325V97.4Very high92.7Very high4 Ų450.6 Ų50.62%0.02427%0.273CS..EExtended strand (participates in β ladder)trans-62.6127.5170.1-178.10000109Q206 V208 Y211 L251Q206-V325 HydrophobicContact CG-CG2 4.25Å; Q206-V325 PolarHBondContact O-N 3.2Å; V208-V325 HydrophobicContact CG2-CG2 4.34Å; Y211-V325 HydrophobicContact CD2-CG2 4.27Å; Y211-V325 HydrophobicContact CG-CG2 4.04Å; L251-V325 HydrophobicContact CD1-CG1 3.96Å; L251-V325 HydrophobicContact CD2-CG2 4.15Å; L251-V325 HydrophobicContact CG-CG1 4.46Å
326A95.4Very high92.7Very high0 Ų051.3 Ų51.30%027%0.274CS..PPolyproline II helixtrans-68.2138.8-176.300000112R252 T254 Q263 N324R252-A326 HydrophobicContact CB-CB 3.86Å; R252-A326 WeakPolarHBondContact O-CB 3.29Å; R252-A326 PolarHBondContact O-N 2.89Å; T254-A326 HydrophobicContact CG2-CB 4.46Å; Q263-A326 HydrophobicContact CG-CB 3.95Å; N324-A326 PolarHBondContact O-N 3.39Å
327E93.5Very high92.5Very high127 Ų12751 Ų5159%0.59328%0.275SS*.THydrogen-bonded Turntrans-64.9161.7176.4-65.9174-168.100113.2P205 Q329P205-E327 HydrophobicContact CB-CG 3.87Å; P205-E327 HydrophobicContact CG-CB 4.48Å; P205-E327 HydrophobicContact CG-CG 3.91Å; E327-Q329 PolarHBondContact O-N 3.45Å; E327-Q329 VanDerWaalsContact O-N 3.17Å
328K93.2Very high92.4Very high84 Ų8451.3 Ų51.337%0.36529%0.293SS..THydrogen-bonded Turntrans55.232.9174.4-55.6-176.7-173.7-156.40112.8E149 C152 I161 W176E149-K328 PolarHBondContact O-NZ 2.92Å; C152-K328 HydrophobicContact CB-CB 4.5Å; C152-K328 HydrophobicContact CB-CG 4.46Å; I161-K328 HydrophobicContact CD1-CD 4.24Å; I161-K328 HydrophobicContact CD1-CG 4.48Å; I161-K328 VanDerWaalsContact CD1-NZ 3.33Å; W176-K328 HydrophobicContact CH2-CG 4.46Å
329Q93.8Very high92.2Very high14 Ų1454.6 Ų54.67%0.06531%0.307CS..  trans-99.3108.3176.1-170.7173.12600110.5F202 Y203 E327 Y331F202-Q329 WeakPolarHBondContact CA-O 3.5Å; F202-Q329 VanDerWaalsContact CD1-C 3.47Å; F202-Q329 WeakPolarHBondContact CD1-O 3.24Å; Y203-Q329 HydrophobicContact CD2-CB 4.03Å; Y203-Q329 HydrophobicContact CD2-CG 3.65Å; Y203-Q329 HydrophobicContact CE2-CG 4.07Å; Y203-Q329 PolarHBondContact N-O 2.9Å; E327-Q329 PolarHBondContact O-N 3.45Å; E327-Q329 VanDerWaalsContact O-N 3.17Å; Q329-Y331 PolarHBondContact O-N 2.78Å
330R93.9Very high92Very high135 Ų13554.3 Ų54.351%0.50931%0.306SS..BIsolated β-bridgetrans-58.4137.2169.8-170.5176176.6-178.61.3109.6F202 G332F202-R330 HydrophobicContact CD1-CB 4.29Å; F202-R330 HydrophobicContact CE1-CB 4.01Å; F202-R330 HydrophobicContact CZ-CB 4.43Å; R330-G332 PolarHBondContact O-N 2.82Å; R330-G332 VanDerWaalsContact O-N 3.17Å
331Y94.2Very high91.9Very high45 Ų4557 Ų5718%0.17632%0.322CS..  trans-64.9115176.2-174.6-102.7000109.4V173 A201 Y203 Q329 A333 L336V173-Y331 HydrophobicContact CB-CD2 4.47Å; V173-Y331 HydrophobicContact CG1-CD2 4.09Å; V173-Y331 HydrophobicContact CG1-CG 4.09Å; V173-Y331 HydrophobicContact CG2-CD2 3.46Å; V173-Y331 VanDerWaalsContact CG2-CD2 3.46Å; V173-Y331 HydrophobicContact CG2-CE2 3.48Å; V173-Y331 VanDerWaalsContact CG2-CE2 3.48Å; V173-Y331 HydrophobicContact CG2-CG 4.23Å; A201-Y331 WeakPolarHBondContact O-CB 3.3Å; A201-Y331 PolarHBondContact O-N 2.77Å; Y203-Y331 AromaticContact CD1-CD2 3.99Å; Y203-Y331 HydrophobicContact CD1-CD2 3.99Å; Y203-Y331 HydrophobicContact CD1-CE2 4.45Å; Y203-Y331 HydrophobicContact CD2-CD2 4.4Å; Y203-Y331 AromaticContact CE1-CD2 3.45Å; Y203-Y331 HydrophobicContact CE1-CD2 3.45Å; Y203-Y331 VanDerWaalsContact CE1-CD2 3.45Å; Y203-Y331 AromaticContact CE1-CE2 3.63Å; Y203-Y331 HydrophobicContact CE1-CE2 3.63Å; Y203-Y331 AromaticContact CE2-CD2 3.92Å; Y203-Y331 HydrophobicContact CE2-CD2 3.92Å; Y203-Y331 HydrophobicContact CG-CD2 4.44Å; Y203-Y331 AromaticContact CZ-CD2 3.41Å; Y203-Y331 VanDerWaalsContact CZ-CD2 3.41Å; Y203-Y331 AromaticContact CZ-CE2 3.78Å; Q329-Y331 PolarHBondContact O-N 2.78Å; Y331-A333 HydrophobicContact CE2-CB 4.23Å; Y331-L336 HydrophobicContact CD1-CD2 3.75Å; Y331-L336 HydrophobicContact CE1-CD2 3.83Å
332G81.5Confident91.8Very high69 Ų6957.8 Ų57.871%0.71133%0.33SS*.  trans-133.89.3-172.800000114.1R330 G334R330-G332 PolarHBondContact O-N 2.82Å; R330-G332 VanDerWaalsContact O-N 3.17Å; G332-G334 PolarHBondContact O-N 3.34Å
333A72Confident91.8Very high54 Ų5459 Ų5945%0.44634%0.336SS..SBendtrans-72.9-5.117900000114Y203 Y331Y203-A333 WeakPolarHBondContact OH-CB 3.47Å; Y331-A333 HydrophobicContact CE2-CB 4.23Å
334G75.8Confident91.7Very high49 Ų4960.4 Ų60.451%0.50534%0.344SS..SBendtrans147.4-163.5177.800000112.1G332G332-G334 PolarHBondContact O-N 3.34Å
335K86.8Confident91.6Very high204 Ų20462.6 Ų62.689%0.88736%0.355SS*.SBendtrans-65.7144.9171-66.2-177.1178.4-179.10109.6
336L92.2Very high91.5Very high49 Ų4971 Ų7126%0.25739%0.386SS..PPolyproline II helixtrans-59.1149168-66.4176000109.4A201 Y331 Q340 V344A201-L336 HydrophobicContact CB-CD2 4.08Å; Y331-L336 HydrophobicContact CD1-CD2 3.75Å; Y331-L336 HydrophobicContact CE1-CD2 3.83Å; L336-Q340 HydrophobicContact CB-CB 3.89Å; L336-Q340 HydrophobicContact CD2-CB 4.27Å; L336-V344 HydrophobicContact CD1-CG2 3.86Å
337T92.3Very high91.4Very high59 Ų5974.8 Ų74.836%0.36240%0.404SS..PPolyproline II helixtrans-65.8165173.271.90000110.7L171 F339 Q340 T341L171-T337 HydrophobicContact CD1-CG2 3.93Å; T337-F339 VanDerWaalsContact C-N 3.3Å; T337-F339 PolarHBondContact O-N 3.37Å; T337-Q340 VanDerWaalsContact N-OE1 3.13Å; T337-Q340 PolarHBondContact O-N 3.36Å; T337-Q340 VanDerWaalsContact OG1-CG 3.3Å; T337-Q340 WeakPolarHBondContact OG1-CG 3.38Å; T337-Q340 PolarHBondContact OG1-N 3.04Å; T337-T341 WeakPolarHBondContact O-CB 3.5Å; T337-T341 PolarHBondContact O-N 2.8Å; T337-T341 PolarHBondContact O-OG1 3.1Å
338G93.1Very high91.4Very high56 Ų5670.1 Ų70.158%0.57739%0.385SS*.Hα-helixtrans-55.3-46.617500000111.9Q340 T341 T342G338-Q340 PolarHBondContact O-N 3.41Å; G338-T341 WeakPolarHBondContact O-CB 3.3Å; G338-T341 PolarHBondContact O-N 2.85Å; G338-T342 PolarHBondContact O-N 3.43Å; G338-T342 PolarHBondContact O-OG1 2.92Å
339F93.4Very high91.4Very high74 Ų7469.7 Ų69.733%0.32540%0.397SS..Hα-helixtrans-58.6-47.9175.4176-93000112.8K170 D219 T337 T341 T342 L343K170-F339 HydrophobicContact CB-CE1 4.27Å; K170-F339 HydrophobicContact CG-CD1 4.46Å; K170-F339 HydrophobicContact CG-CE1 3.54Å; K170-F339 HydrophobicContact CG-CZ 4.25Å; D219-F339 HydrophobicContact CB-CD1 3.83Å; D219-F339 HydrophobicContact CB-CD2 4.04Å; D219-F339 HydrophobicContact CB-CE1 3.83Å; D219-F339 HydrophobicContact CB-CE2 4.03Å; D219-F339 HydrophobicContact CB-CG 3.93Å; D219-F339 HydrophobicContact CB-CZ 3.94Å; T337-F339 VanDerWaalsContact C-N 3.3Å; T337-F339 PolarHBondContact O-N 3.37Å; F339-T341 VanDerWaalsContact C-N 3.3Å; F339-T341 PolarHBondContact O-N 3.01Å; F339-T342 WeakPolarHBondContact O-CB 3.46Å; F339-T342 PolarHBondContact O-N 2.87Å; F339-L343 HydrophobicContact CD1-CD1 4.05Å; F339-L343 HydrophobicContact CD1-CG 4.38Å; F339-L343 HydrophobicContact CE1-CD1 3.29Å; F339-L343 HydrophobicContact CE1-CG 3.87Å; F339-L343 HydrophobicContact CZ-CD1 3.71Å; F339-L343 HydrophobicContact CZ-CD2 4.23Å; F339-L343 HydrophobicContact CZ-CG 4.01Å; F339-L343 PolarHBondContact O-N 3.11Å
340Q95.1Very high91.4Very high0 Ų071.5 Ų71.50%041%0.406CS..Hα-helixtrans-60.8-41.1176.7-74-175.1-46.400112L169 K170 L336 T337 G338 T342 L343 V344L169-Q340 WeakPolarHBondContact O-CG 3.44Å; L169-Q340 PolarHBondContact O-NE2 3.01Å; K170-Q340 PolarHBondContact O-NE2 2.85Å; L336-Q340 HydrophobicContact CB-CB 3.89Å; L336-Q340 HydrophobicContact CD2-CB 4.27Å; T337-Q340 VanDerWaalsContact N-OE1 3.13Å; T337-Q340 PolarHBondContact O-N 3.36Å; T337-Q340 VanDerWaalsContact OG1-CG 3.3Å; T337-Q340 WeakPolarHBondContact OG1-CG 3.38Å; T337-Q340 PolarHBondContact OG1-N 3.04Å; G338-Q340 PolarHBondContact O-N 3.41Å; Q340-T342 VanDerWaalsContact C-N 3.34Å; Q340-T342 PolarHBondContact O-N 3.45Å; Q340-L343 PolarHBondContact O-N 3.5Å; Q340-V344 WeakPolarHBondContact O-CG2 3.38Å; Q340-V344 PolarHBondContact O-N 2.8Å
341T95.6Very high91.5Very high59 Ų5969.2 Ų69.236%0.36240%0.404SS..Hα-helixtrans-61.7-43.6177.2-56.50000110.6T337 G338 F339 L343 V344 I345T337-T341 WeakPolarHBondContact O-CB 3.5Å; T337-T341 PolarHBondContact O-N 2.8Å; T337-T341 PolarHBondContact O-OG1 3.1Å; G338-T341 WeakPolarHBondContact O-CB 3.3Å; G338-T341 PolarHBondContact O-N 2.85Å; F339-T341 VanDerWaalsContact C-N 3.3Å; F339-T341 PolarHBondContact O-N 3.01Å; T341-L343 PolarHBondContact O-N 2.78Å; T341-V344 PolarHBondContact O-N 3.17Å; T341-I345 HydrophobicContact CG2-CD1 3.99Å; T341-I345 VanDerWaalsContact O-CG1 3.29Å; T341-I345 WeakPolarHBondContact O-CG1 3.49Å; T341-I345 PolarHBondContact O-N 3.01Å
342T95.7Very high91.5Very high60 Ų6070.4 Ų70.437%0.36842%0.423SS..Hα-helixtrans-59.9-42.6173.4-56.60000112.2G338 F339 Q340 I345 R346G338-T342 PolarHBondContact O-N 3.43Å; G338-T342 PolarHBondContact O-OG1 2.92Å; F339-T342 WeakPolarHBondContact O-CB 3.46Å; F339-T342 PolarHBondContact O-N 2.87Å; Q340-T342 VanDerWaalsContact C-N 3.34Å; Q340-T342 PolarHBondContact O-N 3.45Å; T342-I345 PolarHBondContact O-N 3.49Å; T342-R346 WeakPolarHBondContact O-CB 3.29Å; T342-R346 WeakPolarHBondContact O-CG 3.23Å; T342-R346 PolarHBondContact O-N 3.49Å
343L96.1Very high92.1Very high39 Ų3970.8 Ų70.820%0.20441%0.413CS..Hα-helixtrans-63.4-43.5176-70.9-175.4000112.2L169 K170 F339 Q340 T341 R346 Q347L169-L343 HydrophobicContact CD2-CB 3.79Å; K170-L343 HydrophobicContact CG-CD1 4.46Å; F339-L343 HydrophobicContact CD1-CD1 4.05Å; F339-L343 HydrophobicContact CD1-CG 4.38Å; F339-L343 HydrophobicContact CE1-CD1 3.29Å; F339-L343 HydrophobicContact CE1-CG 3.87Å; F339-L343 HydrophobicContact CZ-CD1 3.71Å; F339-L343 HydrophobicContact CZ-CD2 4.23Å; F339-L343 HydrophobicContact CZ-CG 4.01Å; F339-L343 PolarHBondContact O-N 3.11Å; Q340-L343 PolarHBondContact O-N 3.5Å; T341-L343 PolarHBondContact O-N 2.78Å; L343-R346 PolarHBondContact O-N 2.81Å; L343-Q347 WeakPolarHBondContact O-CB 3.44Å; L343-Q347 PolarHBondContact O-N 3.49Å
344V96.3Very high93.3Very high29 Ų2970 Ų7018%0.17640%0.403CS..Hα-helixtrans-60.9-46.9175.41730000110.6L169 L175 L336 Q340 T341 R346 Q347 C348L169-V344 HydrophobicContact CD1-CG2 3.56Å; L169-V344 HydrophobicContact CD2-CG2 3.71Å; L169-V344 HydrophobicContact CG-CG2 4.3Å; L175-V344 HydrophobicContact CD1-CG1 4.29Å; L175-V344 HydrophobicContact CD1-CG2 4.05Å; L175-V344 HydrophobicContact CD2-CG1 4.39Å; L175-V344 HydrophobicContact CD2-CG2 4.46Å; L336-V344 HydrophobicContact CD1-CG2 3.86Å; Q340-V344 WeakPolarHBondContact O-CG2 3.38Å; Q340-V344 PolarHBondContact O-N 2.8Å; T341-V344 PolarHBondContact O-N 3.17Å; V344-R346 PolarHBondContact O-N 2.88Å; V344-Q347 PolarHBondContact O-N 3.06Å; V344-C348 VanDerWaalsContact O-CB 3.24Å; V344-C348 WeakPolarHBondContact O-CB 3.46Å; V344-C348 PolarHBondContact O-N 3.17Å; V344-C348 PolarHBondContact O-SG 3.28Å
345I96.2Very high94.2Very high104 Ų10471.4 Ų71.453%0.53339%0.393SS..Hα-helixtrans-58.7-49.4178.2-69.8166000110.2T341 T342 Q347 C348 A349T341-I345 HydrophobicContact CG2-CD1 3.99Å; T341-I345 VanDerWaalsContact O-CG1 3.29Å; T341-I345 WeakPolarHBondContact O-CG1 3.49Å; T341-I345 PolarHBondContact O-N 3.01Å; T342-I345 PolarHBondContact O-N 3.49Å; I345-Q347 VanDerWaalsContact C-N 3.27Å; I345-Q347 PolarHBondContact O-N 2.89Å; I345-C348 PolarHBondContact O-N 3.38Å; I345-A349 WeakPolarHBondContact O-CB 3.3Å; I345-A349 PolarHBondContact O-N 3.3Å
346R95.5Very high94.7Very high182 Ų18263.8 Ų63.869%0.68736%0.362SS*.Hα-helixtrans-58.7-39178.4-73.9176.1-177.2173.42112.4T342 L343 V344T342-R346 WeakPolarHBondContact O-CB 3.29Å; T342-R346 WeakPolarHBondContact O-CG 3.23Å; T342-R346 PolarHBondContact O-N 3.49Å; L343-R346 PolarHBondContact O-N 2.81Å; V344-R346 PolarHBondContact O-N 2.88Å
347Q93.4Very high94.8Very high79 Ų7968.5 Ų68.537%0.36938%0.376SS..Hα-helixtrans-78-30.6-178.3-168.660.837.800113.6V167 L175 L343 V344 I345V167-Q347 HydrophobicContact CB-CG 4.18Å; V167-Q347 HydrophobicContact CG1-CG 3.91Å; V167-Q347 HydrophobicContact CG2-CG 3.87Å; L175-Q347 HydrophobicContact CD2-CB 3.99Å; L175-Q347 HydrophobicContact CD2-CG 3.92Å; L343-Q347 WeakPolarHBondContact O-CB 3.44Å; L343-Q347 PolarHBondContact O-N 3.49Å; V344-Q347 PolarHBondContact O-N 3.06Å; I345-Q347 VanDerWaalsContact C-N 3.27Å; I345-Q347 PolarHBondContact O-N 2.89Å
348C93.9Very high95Very high29 Ų2967 Ų6720%0.19637%0.365CS..Hα-helixtrans-92.5-21.9-177.5-66.90000113.2V344 I345 M350V344-C348 VanDerWaalsContact O-CB 3.24Å; V344-C348 WeakPolarHBondContact O-CB 3.46Å; V344-C348 PolarHBondContact O-N 3.17Å; V344-C348 PolarHBondContact O-SG 3.28Å; I345-C348 PolarHBondContact O-N 3.38Å; C348-M350 WeakPolarHBondContact O-CE 3.45Å; C348-M350 PolarHBondContact O-N 2.85Å
349A93.7Very high95.1Very high74 Ų7464.3 Ų64.361%0.61234%0.337SS*.  trans-64.9122.6-179.800000109.9I345I345-A349 WeakPolarHBondContact O-CB 3.3Å; I345-A349 PolarHBondContact O-N 3.3Å
350M93.6Very high95.2Very high52 Ų5262.9 Ų62.926%0.25633%0.332SS..  trans-152.9149.6179.556.9-173.373.100108.8V197 C348 T354 R355V197-M350 HydrophobicContact CG1-SD 4.33Å; C348-M350 WeakPolarHBondContact O-CE 3.45Å; C348-M350 PolarHBondContact O-N 2.85Å; M350-T354 HydrophobicContact CB-CG2 4.27Å; M350-R355 HydrophobicContact CG-CB 3.95Å; M350-R355 HydrophobicContact CG-CG 4.42Å; M350-R355 VanDerWaalsContact SD-CA 3.58Å; M350-R355 HydrophobicContact SD-CB 3.77Å; M350-R355 HydrophobicContact SD-CG 3.93Å
351D95.6Very high95.2Very high87 Ų8766.8 Ų66.847%0.46535%0.35SS..  trans-66.5158.7171.663.993.7000111.2P353 T354 R355D351-P353 WeakPolarHBondContact OD1-CD 3.43Å; D351-T354 PolarHBondContact O-N 3.43Å; D351-T354 WeakPolarHBondContact OD1-CB 3.42Å; D351-T354 PolarHBondContact OD1-N 3.45Å; D351-T354 PolarHBondContact OD1-OG1 3.06Å; D351-T354 WeakPolarHBondContact OD2-CB 3.42Å; D351-T354 PolarHBondContact OD2-OG1 3.37Å; D351-R355 PolarHBondContact O-N 3.24Å
352A94.2Very high95.1Very high71 Ų7164.1 Ų64.159%0.58733%0.334SS*.Hα-helixtrans-60.7-45.2-174.900000113.7T354 R355 L356A352-T354 PolarHBondContact O-N 3.23Å; A352-R355 WeakPolarHBondContact O-CB 3.25Å; A352-R355 PolarHBondContact O-N 2.94Å; A352-L356 PolarHBondContact O-N 2.86Å
353P94.5Very high95.1Very high76 Ų7661.3 Ų61.349%0.49432%0.317SS..Hα-helixtrans-56.7-45.3173-26.733.2000113.3D351 R355 L356 R357D351-P353 WeakPolarHBondContact OD1-CD 3.43Å; P353-R355 VanDerWaalsContact C-N 3.32Å; P353-R355 PolarHBondContact O-N 3.03Å; P353-L356 PolarHBondContact O-N 3.05Å; P353-R357 VanDerWaalsContact C-NH1 3.29Å; P353-R357 WeakPolarHBondContact O-CG 3.35Å; P353-R357 PolarHBondContact O-N 3.13Å; P353-R357 VanDerWaalsContact O-N 3.1Å; P353-R357 PolarHBondContact O-NH1 3.16Å
354T95.9Very high95Very high39 Ų3965.2 Ų65.224%0.23933%0.334CS..Hα-helixtrans-62.8-39.6177.1-60.50000111.9M350 D351 A352 R357 M358M350-T354 HydrophobicContact CB-CG2 4.27Å; D351-T354 PolarHBondContact O-N 3.43Å; D351-T354 WeakPolarHBondContact OD1-CB 3.42Å; D351-T354 PolarHBondContact OD1-N 3.45Å; D351-T354 PolarHBondContact OD1-OG1 3.06Å; D351-T354 WeakPolarHBondContact OD2-CB 3.42Å; D351-T354 PolarHBondContact OD2-OG1 3.37Å; A352-T354 PolarHBondContact O-N 3.23Å; T354-R357 PolarHBondContact O-N 2.99Å; T354-R357 PolarHBondContact OG1-NH2 3.19Å; T354-M358 WeakPolarHBondContact O-CB 3.48Å; T354-M358 PolarHBondContact O-N 3.48Å
355R96Very high94.8Very high78 Ų7868.3 Ų68.329%0.29434%0.342SS..Hα-helixtrans-60-47.5174.6-169.4-178.8-178.581.1-1.1112.2D196 V197 M350 D351 A352 P353 R357 M358 C359D196-R355 IonicContact OD1-CZ 3.8Å; D196-R355 IonicContact OD1-NE 2.73Å; D196-R355 PolarHBondContact OD1-NE 3.33Å; D196-R355 IonicContact OD1-NH2 3.22Å; D196-R355 PolarHBondContact OD1-NH2 2.85Å; D196-R355 IonicContact OD2-CZ 3.53Å; D196-R355 IonicContact OD2-NE 2.7Å; D196-R355 IonicContact OD2-NH2 3.68Å; D196-R355 PolarHBondContact OD2-NH2 2.79Å; V197-R355 HydrophobicContact CG1-CG 3.86Å; V197-R355 VanDerWaalsContact CG1-CZ 3.43Å; V197-R355 VanDerWaalsContact CG1-NH1 3.29Å; V197-R355 PolarHBondContact O-NH2 2.89Å; M350-R355 HydrophobicContact CG-CB 3.95Å; M350-R355 HydrophobicContact CG-CG 4.42Å; M350-R355 VanDerWaalsContact SD-CA 3.58Å; M350-R355 HydrophobicContact SD-CB 3.77Å; M350-R355 HydrophobicContact SD-CG 3.93Å; D351-R355 PolarHBondContact O-N 3.24Å; A352-R355 WeakPolarHBondContact O-CB 3.25Å; A352-R355 PolarHBondContact O-N 2.94Å; P353-R355 VanDerWaalsContact C-N 3.32Å; P353-R355 PolarHBondContact O-N 3.03Å; R355-R357 VanDerWaalsContact C-N 3.35Å; R355-R357 PolarHBondContact O-N 3.46Å; R355-M358 WeakPolarHBondContact O-CB 3.46Å; R355-M358 PolarHBondContact O-N 3.34Å; R355-M358 VanDerWaalsContact O-N 3.11Å; R355-C359 PolarHBondContact O-N 2.86Å; R355-C359 PolarHBondContact O-SG 3.21Å
356L95.5Very high94.7Very high44 Ų4463.4 Ų63.423%0.2332%0.317CS..Hα-helixtrans-61.2-42.9179-74.1174.3000111.9V2 N4 A352 P353 M358 C359 M360 F385V2-L356 HydrophobicContact CB-CD1 4.22Å; V2-L356 HydrophobicContact CG1-CD1 4.17Å; N4-L356 HydrophobicContact CB-CD2 3.84Å; A352-L356 PolarHBondContact O-N 2.86Å; P353-L356 PolarHBondContact O-N 3.05Å; L356-M358 VanDerWaalsContact C-N 3.28Å; L356-M358 PolarHBondContact O-N 2.93Å; L356-C359 WeakPolarHBondContact O-CB 3.11Å; L356-C359 PolarHBondContact O-N 3.21Å; L356-M360 PolarHBondContact O-N 2.86Å; L356-M360 VanDerWaalsContact O-N 3.11Å; L356-F385 HydrophobicContact CB-CD2 4.49Å; L356-F385 HydrophobicContact CB-CE2 4.03Å; L356-F385 HydrophobicContact CD2-CD2 3.96Å; L356-F385 HydrophobicContact CD2-CE2 3.75Å; L356-F385 HydrophobicContact CD2-CZ 4.29Å; L356-F385 HydrophobicContact CG-CE2 4.47Å; L356-F385 WeakPolarHBondContact O-CE2 3.31Å
357R95.6Very high94.6Very high147 Ų14757.1 Ų57.156%0.55530%0.297SS*.Hα-helixtrans-59.6-41.3173.7-67.8-168-54.3-80.71.3111.6P353 T354 R355 M360 E361P353-R357 VanDerWaalsContact C-NH1 3.29Å; P353-R357 WeakPolarHBondContact O-CG 3.35Å; P353-R357 PolarHBondContact O-N 3.13Å; P353-R357 VanDerWaalsContact O-N 3.1Å; P353-R357 PolarHBondContact O-NH1 3.16Å; T354-R357 PolarHBondContact O-N 2.99Å; T354-R357 PolarHBondContact OG1-NH2 3.19Å; R355-R357 VanDerWaalsContact C-N 3.35Å; R355-R357 PolarHBondContact O-N 3.46Å; R357-M360 PolarHBondContact O-N 3.48Å; R357-E361 PolarHBondContact O-N 3.24Å
358M95.3Very high94.6Very high27 Ų2753.3 Ų53.313%0.13328%0.279CS..Hα-helixtrans-64.8-38.4177.3-167.35860.600112.7R177 V197 T354 R355 L356 M360 E361 M362R177-M358 VanDerWaalsContact NH1-CE 3.28Å; R177-M358 PolarHBondContact NH1-SD 3.37Å; V197-M358 HydrophobicContact CB-CG 4.27Å; V197-M358 HydrophobicContact CG2-CG 3.95Å; T354-M358 WeakPolarHBondContact O-CB 3.48Å; T354-M358 PolarHBondContact O-N 3.48Å; R355-M358 WeakPolarHBondContact O-CB 3.46Å; R355-M358 PolarHBondContact O-N 3.34Å; R355-M358 VanDerWaalsContact O-N 3.11Å; L356-M358 VanDerWaalsContact C-N 3.28Å; L356-M358 PolarHBondContact O-N 2.93Å; M358-M360 VanDerWaalsContact C-N 3.35Å; M358-E361 PolarHBondContact O-N 3Å; M358-M362 WeakPolarHBondContact O-CB 3.4Å; M358-M362 VanDerWaalsContact O-CG 3.32Å; M358-M362 WeakPolarHBondContact O-CG 3.48Å; M358-M362 PolarHBondContact O-N 3.39Å
359C96.2Very high94.4Very high0 Ų053.5 Ų53.50%028%0.277CS..Hα-helixtrans-60.7-44.5174.3-66.30000111.3I195 D196 V197 R355 L356 M362 M363 F385I195-C359 HydrophobicContact CG2-CB 4.27Å; D196-C359 PolarHBondContact OD1-SG 3.4Å; V197-C359 PolarHBondContact N-SG 3.14Å; V197-C359 VanDerWaalsContact N-SG 3.36Å; R355-C359 PolarHBondContact O-N 2.86Å; R355-C359 PolarHBondContact O-SG 3.21Å; L356-C359 WeakPolarHBondContact O-CB 3.11Å; L356-C359 PolarHBondContact O-N 3.21Å; C359-M362 PolarHBondContact O-N 3.14Å; C359-M363 PolarHBondContact O-N 2.83Å; C359-F385 HydrophobicContact CB-CE2 4.49Å; C359-F385 HydrophobicContact CB-CZ 3.72Å
360M94.7Very high94.4Very high45 Ų4553.4 Ų53.422%0.22227%0.266CS..Hα-helixtrans-64.3-44.8175.2-76.2-64.1-174.600112.5V6 L356 R357 M358 M362 M363 H364 R383 F385V6-M360 HydrophobicContact CG1-CE 4.29Å; L356-M360 PolarHBondContact O-N 2.86Å; L356-M360 VanDerWaalsContact O-N 3.11Å; R357-M360 PolarHBondContact O-N 3.48Å; M358-M360 VanDerWaalsContact C-N 3.35Å; M360-M362 VanDerWaalsContact C-N 3.32Å; M360-M362 PolarHBondContact O-N 3.17Å; M360-M363 PolarHBondContact O-N 3.04Å; M360-M363 HydrophobicContact SD-CE 3.59Å; M360-M363 VanDerWaalsContact SD-CE 3.59Å; M360-H364 PolarHBondContact O-N 2.58Å; M360-R383 WeakPolarHBondContact CE-O 3.37Å; M360-F385 HydrophobicContact CE-CB 4.25Å; M360-F385 HydrophobicContact CE-CD1 3.69Å; M360-F385 HydrophobicContact CE-CD2 3.46Å; M360-F385 VanDerWaalsContact CE-CD2 3.46Å; M360-F385 HydrophobicContact CE-CE1 3.75Å; M360-F385 HydrophobicContact CE-CE2 3.54Å; M360-F385 HydrophobicContact CE-CG 3.52Å; M360-F385 HydrophobicContact CE-CZ 3.67Å; M360-F385 VanDerWaalsContact CE-N 3.32Å; M360-F385 HydrophobicContact CG-CD2 4.23Å; M360-F385 HydrophobicContact CG-CE2 3.47Å; M360-F385 VanDerWaalsContact CG-CE2 3.47Å; M360-F385 HydrophobicContact CG-CZ 3.7Å; M360-F385 HydrophobicContact SD-CE1 4.38Å; M360-F385 HydrophobicContact SD-CE2 4.11Å; M360-F385 HydrophobicContact SD-CZ 3.98Å
361E95.2Very high94.5Very high81 Ų8151 Ų5138%0.37926%0.255SS..Hα-helixtrans-57.2-47.1175.8-169.5-162.9148.500110.8R357 M358 M363 H364 R365R357-E361 PolarHBondContact O-N 3.24Å; M358-E361 PolarHBondContact O-N 3Å; E361-M363 PolarHBondContact O-N 2.77Å; E361-H364 PolarHBondContact O-N 3.13Å; E361-R365 HydrophobicContact CG-CG 4.4Å; E361-R365 WeakPolarHBondContact O-CB 3.47Å; E361-R365 VanDerWaalsContact O-CG 3.26Å; E361-R365 WeakPolarHBondContact O-CG 3.3Å; E361-R365 PolarHBondContact O-N 3.25Å; E361-R365 IonicContact OE1-NH1 3.53Å; E361-R365 PolarHBondContact OE1-NH1 3.29Å
362M94.5Very high94.5Very high3 Ų349.8 Ų49.82%0.01525%0.246CC..Hα-helixtrans-64.6-38.8179.4-74.3-61.8-52.900112.6R177 L179 M358 C359 M360 H364 R365 A366R177-M362 HydrophobicContact CG-SD 4.06Å; L179-M362 HydrophobicContact CB-CB 4.28Å; L179-M362 HydrophobicContact CB-CE 4.01Å; L179-M362 HydrophobicContact CD1-CB 3.92Å; M358-M362 WeakPolarHBondContact O-CB 3.4Å; M358-M362 VanDerWaalsContact O-CG 3.32Å; M358-M362 WeakPolarHBondContact O-CG 3.48Å; M358-M362 PolarHBondContact O-N 3.39Å; C359-M362 PolarHBondContact O-N 3.14Å; M360-M362 VanDerWaalsContact C-N 3.32Å; M360-M362 PolarHBondContact O-N 3.17Å; M362-H364 VanDerWaalsContact C-N 3.34Å; M362-R365 PolarHBondContact O-N 3.49Å; M362-A366 VanDerWaalsContact O-CB 3.29Å; M362-A366 WeakPolarHBondContact O-CB 3.36Å; M362-A366 PolarHBondContact O-N 2.82Å
363M94.8Very high94.6Very high1 Ų146.4 Ų46.41%0.00522%0.218CC..Hα-helixtrans-61.1-44.4174-174.3-179.574.300111.4V6 I195 C359 M360 E361 A366 N367 L368 E369 I381V6-M363 HydrophobicContact CG1-SD 4.46Å; I195-M363 HydrophobicContact CG1-SD 4.46Å; I195-M363 HydrophobicContact CG2-CB 4.36Å; C359-M363 PolarHBondContact O-N 2.83Å; M360-M363 PolarHBondContact O-N 3.04Å; M360-M363 HydrophobicContact SD-CE 3.59Å; M360-M363 VanDerWaalsContact SD-CE 3.59Å; E361-M363 PolarHBondContact O-N 2.77Å; M363-A366 PolarHBondContact O-N 3.1Å; M363-N367 PolarHBondContact O-N 3.29Å; M363-L368 HydrophobicContact CG-CB 3.82Å; M363-L368 HydrophobicContact CG-CD1 4.33Å; M363-L368 PolarHBondContact O-N 3.23Å; M363-E369 HydrophobicContact CE-CG 4.17Å; M363-I381 HydrophobicContact SD-CD1 4.36Å
364H94.1Very high94.7Very high121 Ų12142.9 Ų42.956%0.5620%0.195SC*.Hα-helixtrans-66.7-44.5177.8-173.367.1000112M360 E361 M362 A366 N367 E369M360-H364 PolarHBondContact O-N 2.58Å; E361-H364 PolarHBondContact O-N 3.13Å; M362-H364 VanDerWaalsContact C-N 3.34Å; H364-A366 VanDerWaalsContact C-N 3.27Å; H364-A366 PolarHBondContact O-N 3.06Å; H364-N367 WeakPolarHBondContact O-CA 3.37Å; H364-N367 PolarHBondContact O-N 2.83Å; H364-E369 IonicContact CE1-OE2 3.53Å; H364-E369 IonicContact ND1-OE2 3.7Å; H364-E369 PolarHBondContact ND1-OE2 3.36Å
365R92.3Very high94.7Very high95 Ų9545.5 Ų45.536%0.35820%0.203SC..Hα-helixtrans-60.9-34.8175.2-70.8172.679.8105.19113E160 E361 M362 N367E160-R365 IonicContact OE1-CZ 2.7Å; E160-R365 IonicContact OE1-NE 2.68Å; E160-R365 PolarHBondContact OE1-NE 3.37Å; E160-R365 IonicContact OE1-NH2 3.07Å; E160-R365 PolarHBondContact OE1-NH2 3.43Å; E160-R365 IonicContact OE2-CZ 2.73Å; E160-R365 VanDerWaalsContact OE2-CZ 3.23Å; E160-R365 IonicContact OE2-NE 2.92Å; E160-R365 PolarHBondContact OE2-NE 3.24Å; E160-R365 IonicContact OE2-NH2 3.85Å; E160-R365 PolarHBondContact OE2-NH2 3.12Å; E361-R365 HydrophobicContact CG-CG 4.4Å; E361-R365 WeakPolarHBondContact O-CB 3.47Å; E361-R365 VanDerWaalsContact O-CG 3.26Å; E361-R365 WeakPolarHBondContact O-CG 3.3Å; E361-R365 PolarHBondContact O-N 3.25Å; E361-R365 IonicContact OE1-NH1 3.53Å; E361-R365 PolarHBondContact OE1-NH1 3.29Å; M362-R365 PolarHBondContact O-N 3.49Å; R365-N367 PolarHBondContact O-N 3.09Å
366A93.3Very high94.6Very high0 Ų044.6 Ų44.60%020%0.203CC..THydrogen-bonded Turntrans-73.7-9.9173.100000113.5R147 F151 L179 M362 M363 H364 L368R147-A366 PolarHBondContact NE-O 3.17Å; F151-A366 HydrophobicContact CZ-CB 4.22Å; L179-A366 HydrophobicContact CD2-CB 3.55Å; M362-A366 VanDerWaalsContact O-CB 3.29Å; M362-A366 WeakPolarHBondContact O-CB 3.36Å; M362-A366 PolarHBondContact O-N 2.82Å; M363-A366 PolarHBondContact O-N 3.1Å; H364-A366 VanDerWaalsContact C-N 3.27Å; H364-A366 PolarHBondContact O-N 3.06Å; A366-L368 HydrophobicContact CB-CD1 4.11Å; A366-L368 PolarHBondContact O-N 3.21Å
367N93.9Very high94.6Very high50 Ų5042.5 Ų42.527%0.26719%0.192SC..THydrogen-bonded Turntrans53.237.7-175.7-163.836.7000112.9M363 H364 R365 E369 N370 D371M363-N367 PolarHBondContact O-N 3.29Å; H364-N367 WeakPolarHBondContact O-CA 3.37Å; H364-N367 PolarHBondContact O-N 2.83Å; R365-N367 PolarHBondContact O-N 3.09Å; N367-E369 PolarHBondContact O-N 3.12Å; N367-N370 PolarHBondContact O-N 3.19Å; N367-N370 VanDerWaalsContact O-N 3.15Å; N367-N370 WeakPolarHBondContact OD1-CB 3.33Å; N367-N370 PolarHBondContact OD1-ND2 3.04Å; N367-N370 VanDerWaalsContact OD1-ND2 3.09Å; N367-D371 PolarHBondContact O-N 2.64Å
368L93Very high94.6Very high0 Ų035.5 Ų35.50%017%0.165CC..G310 helixtrans-62.1-30.3179.6-112.2137.9000112.1L136 L179 T181 M363 A366 N370 D371 L374 I381L136-L368 HydrophobicContact CD2-CD2 3.63Å; L179-L368 HydrophobicContact CD2-CD1 3.38Å; T181-L368 HydrophobicContact CG2-CD1 4.04Å; M363-L368 HydrophobicContact CG-CB 3.82Å; M363-L368 HydrophobicContact CG-CD1 4.33Å; M363-L368 PolarHBondContact O-N 3.23Å; A366-L368 HydrophobicContact CB-CD1 4.11Å; A366-L368 PolarHBondContact O-N 3.21Å; L368-N370 PolarHBondContact O-N 2.87Å; L368-D371 PolarHBondContact O-N 3.31Å; L368-L374 HydrophobicContact CD2-CD1 4.15Å; L368-I381 HydrophobicContact CD2-CD1 3.9Å
369E90.7Very high94.6Very high32 Ų3234.5 Ų34.515%0.1516%0.16CC..G310 helixtrans-65.6-19.6178.2-54.7176.2136.900113M363 H364 N367 R383M363-E369 HydrophobicContact CE-CG 4.17Å; H364-E369 IonicContact CE1-OE2 3.53Å; H364-E369 IonicContact ND1-OE2 3.7Å; H364-E369 PolarHBondContact ND1-OE2 3.36Å; N367-E369 PolarHBondContact O-N 3.12Å; E369-R383 HydrophobicContact CB-CG 4.46Å; E369-R383 HydrophobicContact CG-CG 3.88Å; E369-R383 PolarHBondContact O-NH2 3.43Å; E369-R383 WeakPolarHBondContact OE1-CG 3.46Å
370N93.4Very high94.5Very high72 Ų7236.2 Ų36.239%0.38517%0.169SC..G310 helixtrans-125.624.1179.9-63.8-65.6000112.4N367 L368 E372 K375N367-N370 PolarHBondContact O-N 3.19Å; N367-N370 VanDerWaalsContact O-N 3.15Å; N367-N370 WeakPolarHBondContact OD1-CB 3.33Å; N367-N370 PolarHBondContact OD1-ND2 3.04Å; N367-N370 VanDerWaalsContact OD1-ND2 3.09Å; L368-N370 PolarHBondContact O-N 2.87Å; N370-E372 PolarHBondContact O-N 3.43Å; N370-K375 PolarHBondContact OD1-NZ 2.8Å
371D95.2Very high94.4Very high2 Ų234 Ų341%0.01116%0.159CC..  trans-63.9125.6-174.8-167.3-81.5000112.2G139 R147 N367 L368 F373 L374 K375G139-D371 WeakPolarHBondContact CA-OD2 3.45Å; R147-D371 IonicContact NH2-OD2 3.41Å; R147-D371 PolarHBondContact NH2-OD2 2.82Å; N367-D371 PolarHBondContact O-N 2.64Å; L368-D371 PolarHBondContact O-N 3.31Å; D371-F373 VanDerWaalsContact C-N 3.3Å; D371-F373 PolarHBondContact O-N 3.1Å; D371-F373 WeakPolarHBondContact OD1-CA 3.41Å; D371-F373 VanDerWaalsContact OD1-CB 3.29Å; D371-F373 WeakPolarHBondContact OD1-CB 3.41Å; D371-F373 PolarHBondContact OD1-N 3.34Å; D371-L374 HydrophobicContact CB-CB 4.12Å; D371-L374 HydrophobicContact CB-CD1 3.98Å; D371-L374 HydrophobicContact CB-CG 4.05Å; D371-L374 PolarHBondContact O-N 2.93Å; D371-L374 PolarHBondContact OD1-N 3.14Å; D371-L374 VanDerWaalsContact OD1-N 3.13Å; D371-K375 WeakPolarHBondContact O-CG 3.27Å; D371-K375 PolarHBondContact O-N 3.11Å; D371-K375 VanDerWaalsContact O-N 3.09Å
372E95.9Very high94.4Very high61 Ų6130.5 Ų30.529%0.28514%0.143SC..Hα-helixtrans-65.9-34-176.6-57.883.6172.700111.6F56 R147 N370 E376F56-E372 HydrophobicContact CB-CB 4.35Å; F56-E372 HydrophobicContact CD1-CB 4.4Å; F56-E372 HydrophobicContact CD2-CB 4.05Å; F56-E372 HydrophobicContact CE2-CB 4.46Å; F56-E372 HydrophobicContact CG-CB 4.02Å; R147-E372 IonicContact CZ-OE1 2.87Å; R147-E372 IonicContact CZ-OE2 3.17Å; R147-E372 IonicContact NH1-OE1 3.66Å; R147-E372 PolarHBondContact NH1-OE1 2.67Å; R147-E372 IonicContact NH1-OE2 3.61Å; R147-E372 PolarHBondContact NH1-OE2 2.89Å; R147-E372 IonicContact NH2-OE2 3.14Å; R147-E372 PolarHBondContact NH2-OE2 2.96Å; N370-E372 PolarHBondContact O-N 3.43Å; E372-E376 VanDerWaalsContact O-CB 3.26Å; E372-E376 WeakPolarHBondContact O-CB 3.37Å; E372-E376 PolarHBondContact O-N 3.46Å
373F97Very high94.4Very high0 Ų034.8 Ų34.80%016%0.159CC..Hα-helixtrans-72.3-45178.6-64.9-91.8000110.8W42 F56 V58 I135 Q138 C142 V145 D371 K375 E376 F377W42-F373 AromaticContact CH2-CE1 3.64Å; W42-F373 HydrophobicContact CH2-CE1 3.64Å; W42-F373 AromaticContact CH2-CZ 3.76Å; W42-F373 HydrophobicContact CH2-CZ 3.76Å; W42-F373 HydrophobicContact CZ2-CE1 4.2Å; W42-F373 HydrophobicContact CZ2-CZ 4.1Å; W42-F373 HydrophobicContact CZ3-CZ 4.48Å; F56-F373 HydrophobicContact CB-CD1 4.34Å; F56-F373 HydrophobicContact CB-CE1 4.37Å; F56-F373 HydrophobicContact CD1-CD2 4.43Å; F56-F373 AromaticContact CD1-CE1 3.96Å; F56-F373 HydrophobicContact CD1-CE1 3.96Å; F56-F373 AromaticContact CD1-CE2 3.83Å; F56-F373 HydrophobicContact CD1-CE2 3.83Å; F56-F373 AromaticContact CD1-CZ 3.57Å; F56-F373 HydrophobicContact CD1-CZ 3.57Å; F56-F373 HydrophobicContact CE1-CE2 4.33Å; F56-F373 HydrophobicContact CE1-CZ 4.21Å; F56-F373 VanDerWaalsContact O-CD1 3.23Å; F56-F373 WeakPolarHBondContact O-CD1 3.45Å; V58-F373 WeakPolarHBondContact O-CD1 3.4Å; V58-F373 WeakPolarHBondContact O-CE1 3.29Å; I135-F373 HydrophobicContact CG2-CB 4.1Å; Q138-F373 HydrophobicContact CB-CB 4.08Å; Q138-F373 HydrophobicContact CB-CD1 3.57Å; Q138-F373 HydrophobicContact CB-CD2 3.36Å; Q138-F373 HydrophobicContact CB-CE1 3.73Å; Q138-F373 HydrophobicContact CB-CE2 3.51Å; Q138-F373 HydrophobicContact CB-CG 3.38Å; Q138-F373 HydrophobicContact CB-CZ 3.69Å; Q138-F373 HydrophobicContact CG-CD1 3.82Å; Q138-F373 HydrophobicContact CG-CD2 4.46Å; Q138-F373 HydrophobicContact CG-CE1 4.06Å; Q138-F373 HydrophobicContact CG-CG 4.04Å; Q138-F373 HydrophobicContact CG-CZ 4.46Å; C142-F373 HydrophobicContact CB-CE2 3.86Å; C142-F373 HydrophobicContact CB-CZ 3.68Å; V145-F373 HydrophobicContact CG2-CE2 3.86Å; D371-F373 VanDerWaalsContact C-N 3.3Å; D371-F373 PolarHBondContact O-N 3.1Å; D371-F373 WeakPolarHBondContact OD1-CA 3.41Å; D371-F373 VanDerWaalsContact OD1-CB 3.29Å; D371-F373 WeakPolarHBondContact OD1-CB 3.41Å; D371-F373 PolarHBondContact OD1-N 3.34Å; F373-K375 VanDerWaalsContact C-N 3.33Å; F373-K375 PolarHBondContact O-N 3.48Å; F373-E376 PolarHBondContact O-N 3.19Å; F373-F377 WeakPolarHBondContact O-CB 3.25Å; F373-F377 VanDerWaalsContact O-CD2 3.25Å; F373-F377 WeakPolarHBondContact O-CD2 3.4Å; F373-F377 PolarHBondContact O-N 2.93Å
374L96Very high94.3Very high3 Ų339.6 Ų39.62%0.01619%0.189CC..Hα-helixtrans-55.2-51.7174.6-73178.7000110.7L8 I135 L136 L368 D371 E376 F377 G378 L379L8-L374 HydrophobicContact CD1-CD2 4.4Å; I135-L374 HydrophobicContact CG2-CD2 3.83Å; I135-L374 HydrophobicContact CG2-CG 4.45Å; L136-L374 HydrophobicContact CD2-CD1 4.04Å; L136-L374 HydrophobicContact CD2-CD2 3.91Å; L136-L374 HydrophobicContact CD2-CG 4.41Å; L136-L374 HydrophobicContact CG-CD2 4.43Å; L368-L374 HydrophobicContact CD2-CD1 4.15Å; D371-L374 HydrophobicContact CB-CB 4.12Å; D371-L374 HydrophobicContact CB-CD1 3.98Å; D371-L374 HydrophobicContact CB-CG 4.05Å; D371-L374 PolarHBondContact O-N 2.93Å; D371-L374 PolarHBondContact OD1-N 3.14Å; D371-L374 VanDerWaalsContact OD1-N 3.13Å; L374-E376 PolarHBondContact O-N 3.34Å; L374-F377 CarbonylContact O-C 3.47Å; L374-F377 PolarHBondContact O-N 2.97Å; L374-G378 PolarHBondContact O-N 3.06Å; L374-G378 VanDerWaalsContact O-N 3.15Å; L374-L379 CarbonylContact C-O 3.56Å; L374-L379 HydrophobicContact CB-CB 4.35Å; L374-L379 WeakPolarHBondContact CB-O 3.44Å; L374-L379 HydrophobicContact CD2-CB 3.94Å; L374-L379 HydrophobicContact CD2-CD1 4.22Å; L374-L379 CarbonylContact O-C 3.58Å; L374-L379 WeakPolarHBondContact O-CA 3.24Å; L374-L379 PolarHBondContact O-N 3.5Å
375K95.3Very high94.4Very high93 Ų9335 Ų3540%0.40417%0.167SC..Hα-helixtrans-57.5-48.6178.6-72.3175.1-179.2174.40111.8F11 N370 D371 F373 F377 G378 L379F11-K375 VanDerWaalsContact CZ-O 3.27Å; F11-K375 WeakPolarHBondContact CZ-O 3.48Å; N370-K375 PolarHBondContact OD1-NZ 2.8Å; D371-K375 WeakPolarHBondContact O-CG 3.27Å; D371-K375 PolarHBondContact O-N 3.11Å; D371-K375 VanDerWaalsContact O-N 3.09Å; F373-K375 VanDerWaalsContact C-N 3.33Å; F373-K375 PolarHBondContact O-N 3.48Å; K375-F377 VanDerWaalsContact C-N 3.29Å; K375-F377 PolarHBondContact O-N 3.12Å; K375-G378 PolarHBondContact O-N 3.18Å; K375-L379 PolarHBondContact N-O 3.04Å
376E95.4Very high94.5Very high60 Ų6031.6 Ų31.628%0.2816%0.157SC..Hα-helixtrans-62.3-39.5-178-167.160.1-151.300111.2F56 S57 K69 E372 F373 L374 G378F56-E376 HydrophobicContact CB-CB 4.25Å; F56-E376 HydrophobicContact CB-CG 4.41Å; S57-E376 VanDerWaalsContact CB-CG 3.49Å; K69-E376 WeakPolarHBondContact CD-O 3.49Å; K69-E376 WeakPolarHBondContact CE-O 3.44Å; K69-E376 PolarHBondContact NZ-O 3.28Å; E372-E376 VanDerWaalsContact O-CB 3.26Å; E372-E376 WeakPolarHBondContact O-CB 3.37Å; E372-E376 PolarHBondContact O-N 3.46Å; F373-E376 PolarHBondContact O-N 3.19Å; L374-E376 PolarHBondContact O-N 3.34Å; E376-G378 PolarHBondContact O-N 3.23Å
377F95.8Very high94.6Very high0 Ų039.2 Ų39.20%019%0.192CC..THydrogen-bonded Turntrans-74.5-2175-80.7-97.5000114.6I16 V18 S57 A59 K69 I135 F373 L374 K375 L379I16-F377 WeakPolarHBondContact CD1-O 3.49Å; V18-F377 HydrophobicContact CB-CE1 4.48Å; V18-F377 HydrophobicContact CG1-CD1 3.77Å; V18-F377 HydrophobicContact CG1-CE1 3.7Å; S57-F377 VanDerWaalsContact C-CE2 3.44Å; S57-F377 VanDerWaalsContact O-CZ 3.29Å; S57-F377 WeakPolarHBondContact O-CZ 3.23Å; A59-F377 HydrophobicContact CB-CE2 4.21Å; A59-F377 HydrophobicContact CB-CZ 4.06Å; K69-F377 HydrophobicContact CB-CD1 4.2Å; K69-F377 HydrophobicContact CB-CE1 4.2Å; I135-F377 HydrophobicContact CD1-CB 4.01Å; I135-F377 HydrophobicContact CD1-CD1 3.47Å; I135-F377 VanDerWaalsContact CD1-CD1 3.47Å; I135-F377 HydrophobicContact CD1-CD2 4.17Å; I135-F377 HydrophobicContact CD1-CE1 3.9Å; I135-F377 HydrophobicContact CD1-CG 3.62Å; I135-F377 HydrophobicContact CD1-CZ 4.39Å; I135-F377 HydrophobicContact CG1-CD1 4.2Å; I135-F377 HydrophobicContact CG1-CD2 4.19Å; I135-F377 HydrophobicContact CG1-CE1 4.26Å; I135-F377 HydrophobicContact CG1-CE2 4.24Å; I135-F377 HydrophobicContact CG1-CG 4.15Å; I135-F377 HydrophobicContact CG1-CZ 4.27Å; I135-F377 HydrophobicContact CG2-CD2 4.31Å; F373-F377 WeakPolarHBondContact O-CB 3.25Å; F373-F377 VanDerWaalsContact O-CD2 3.25Å; F373-F377 WeakPolarHBondContact O-CD2 3.4Å; F373-F377 PolarHBondContact O-N 2.93Å; L374-F377 CarbonylContact O-C 3.47Å; L374-F377 PolarHBondContact O-N 2.97Å; K375-F377 VanDerWaalsContact C-N 3.29Å; K375-F377 PolarHBondContact O-N 3.12Å; F377-L379 HydrophobicContact CB-CD1 4.36Å; F377-L379 HydrophobicContact CB-CG 4.45Å
378G94.7Very high94.5Very high0 Ų039.6 Ų39.60%020%0.197CC..THydrogen-bonded Turntrans82.520.4179.400000114.3F11 A12 L374 K375 E376F11-G378 VanDerWaalsContact CE1-C 3.4Å; F11-G378 PolarHBondContact N-O 2.89Å; F11-G378 VanDerWaalsContact N-O 3.16Å; A12-G378 PolarHBondContact N-O 3.15Å; L374-G378 PolarHBondContact O-N 3.06Å; L374-G378 VanDerWaalsContact O-N 3.15Å; K375-G378 PolarHBondContact O-N 3.18Å; E376-G378 PolarHBondContact O-N 3.23Å
379L95.1Very high94.5Very high6 Ų645.5 Ų45.53%0.03124%0.235CC..EExtended strand (participates in β ladder)trans-113.4151.7-176.8-59.2174.4000111L8 K9 F11 I16 L109 I135 L374 K375 F377L8-L379 HydrophobicContact CD1-CB 4.44Å; L8-L379 HydrophobicContact CD2-CD1 4.45Å; L8-L379 HydrophobicContact CD2-CD2 4.16Å; L8-L379 HydrophobicContact CG-CD2 4.43Å; K9-L379 CarbonylContact O-C 3.52Å; K9-L379 WeakPolarHBondContact O-CA 3.33Å; F11-L379 VanDerWaalsContact CE1-O 3.3Å; F11-L379 WeakPolarHBondContact CE1-O 3.48Å; I16-L379 HydrophobicContact CD1-CD2 3.7Å; I16-L379 HydrophobicContact CD1-CG 4.3Å; L109-L379 HydrophobicContact CD1-CD1 4.25Å; I135-L379 HydrophobicContact CD1-CD1 4.1Å; L374-L379 CarbonylContact C-O 3.56Å; L374-L379 HydrophobicContact CB-CB 4.35Å; L374-L379 WeakPolarHBondContact CB-O 3.44Å; L374-L379 HydrophobicContact CD2-CB 3.94Å; L374-L379 HydrophobicContact CD2-CD1 4.22Å; L374-L379 CarbonylContact O-C 3.58Å; L374-L379 WeakPolarHBondContact O-CA 3.24Å; L374-L379 PolarHBondContact O-N 3.5Å; K375-L379 PolarHBondContact N-O 3.04Å; F377-L379 HydrophobicContact CB-CD1 4.36Å; F377-L379 HydrophobicContact CB-CG 4.45Å
380D93.8Very high94.6Very high35 Ų3545.8 Ų45.819%0.18725%0.247CC..EExtended strand (participates in β ladder)trans-144.8163.9174.7-172.223.1000109.5L8 K9 F11 R383L8-D380 CarbonylContact C-O 3.5Å; K9-D380 HydrophobicContact CB-CB 4.2Å; K9-D380 PolarHBondContact N-O 3.37Å; K9-D380 PolarHBondContact O-N 2.87Å; F11-D380 HydrophobicContact CD1-CB 4.08Å; F11-D380 HydrophobicContact CE1-CB 4.29Å; D380-R383 IonicContact OD1-CZ 3.9Å; D380-R383 VanDerWaalsContact OD1-CZ 3.28Å; D380-R383 IonicContact OD1-NH1 3.58Å; D380-R383 PolarHBondContact OD1-NH1 3.29Å; D380-R383 VanDerWaalsContact OD1-NH1 3.1Å; D380-R383 IonicContact OD1-NH2 2.89Å; D380-R383 PolarHBondContact OD1-NH2 2.94Å; D380-R383 IonicContact OD2-CZ 3Å; D380-R383 IonicContact OD2-NH1 2.81Å; D380-R383 PolarHBondContact OD2-NH1 2.87Å; D380-R383 IonicContact OD2-NH2 2.8Å; D380-R383 PolarHBondContact OD2-NH2 2.8Å
381I94.1Very high94.7Very high0 Ų052.8 Ų52.80%027%0.268CS..EExtended strand (participates in β ladder)trans-118.4137.5-178.5-160.3167.7000110.5V6 V193 I195 M363 L368 R383V6-I381 HydrophobicContact CB-CG1 4.23Å; V6-I381 HydrophobicContact CG2-CD1 3.44Å; V6-I381 VanDerWaalsContact CG2-CD1 3.44Å; V6-I381 HydrophobicContact CG2-CG1 3.37Å; V193-I381 HydrophobicContact CB-CD1 4.17Å; V193-I381 HydrophobicContact CG1-CD1 4.41Å; V193-I381 HydrophobicContact CG2-CD1 4.16Å; I195-I381 HydrophobicContact CD1-CD1 4.35Å; M363-I381 HydrophobicContact SD-CD1 4.36Å; L368-I381 HydrophobicContact CD2-CD1 3.9Å; I381-R383 WeakPolarHBondContact O-CD 3.46Å; I381-R383 PolarHBondContact O-NE 2.79Å; I381-R383 PolarHBondContact O-NH1 2.97Å
382A94.6Very high94.7Very high6 Ų659.7 Ų59.75%0.0531%0.31CS..  trans-63.5146.6172.800000110.9V6 E7V6-A382 HydrophobicContact CB-CB 4.3Å; E7-A382 HydrophobicContact CB-CB 4.1Å; E7-A382 WeakPolarHBondContact O-CB 3.47Å; E7-A382 PolarHBondContact O-N 3.09Å
383R93.4Very high94.7Very high94 Ų9462.6 Ų62.636%0.35533%0.326SS..SBendtrans-95.51.1-179.5-70.984.9-176.5166.4-4.5113.1M360 E369 D380 I381M360-R383 WeakPolarHBondContact CE-O 3.37Å; E369-R383 HydrophobicContact CB-CG 4.46Å; E369-R383 HydrophobicContact CG-CG 3.88Å; E369-R383 PolarHBondContact O-NH2 3.43Å; E369-R383 WeakPolarHBondContact OE1-CG 3.46Å; D380-R383 IonicContact OD1-CZ 3.9Å; D380-R383 VanDerWaalsContact OD1-CZ 3.28Å; D380-R383 IonicContact OD1-NH1 3.58Å; D380-R383 PolarHBondContact OD1-NH1 3.29Å; D380-R383 VanDerWaalsContact OD1-NH1 3.1Å; D380-R383 IonicContact OD1-NH2 2.89Å; D380-R383 PolarHBondContact OD1-NH2 2.94Å; D380-R383 IonicContact OD2-CZ 3Å; D380-R383 IonicContact OD2-NH1 2.81Å; D380-R383 PolarHBondContact OD2-NH1 2.87Å; D380-R383 IonicContact OD2-NH2 2.8Å; D380-R383 PolarHBondContact OD2-NH2 2.8Å; I381-R383 WeakPolarHBondContact O-CD 3.46Å; I381-R383 PolarHBondContact O-NE 2.79Å; I381-R383 PolarHBondContact O-NH1 2.97Å
384T94.3Very high94.6Very high102 Ų10268.1 Ų68.163%0.62636%0.362SS*.SBendtrans-128.8145.1179.954.10000108.9
385F95.7Very high94.6Very high23 Ų2371.3 Ų71.310%0.10138%0.383CS..PPolyproline II helixtrans-70.1151.7175-71.4-50.6000111.4V2 S3 N4 F5 V6 I195 L356 C359 M360 E387V2-F385 HydrophobicContact CG1-CB 3.55Å; V2-F385 HydrophobicContact CG1-CD2 4.16Å; V2-F385 HydrophobicContact CG1-CG 4.26Å; S3-F385 WeakPolarHBondContact O-CB 3.26Å; S3-F385 WeakPolarHBondContact O-CG 3.21Å; N4-F385 HydrophobicContact CB-CE1 4.37Å; F5-F385 CarbonylContact O-C 3.56Å; F5-F385 VanDerWaalsContact O-CA 3.3Å; F5-F385 WeakPolarHBondContact O-CA 3.22Å; V6-F385 HydrophobicContact CG1-CD1 3.65Å; V6-F385 HydrophobicContact CG1-CE1 3.94Å; I195-F385 HydrophobicContact CB-CE1 4.37Å; L356-F385 HydrophobicContact CB-CD2 4.49Å; L356-F385 HydrophobicContact CB-CE2 4.03Å; L356-F385 HydrophobicContact CD2-CD2 3.96Å; L356-F385 HydrophobicContact CD2-CE2 3.75Å; L356-F385 HydrophobicContact CD2-CZ 4.29Å; L356-F385 HydrophobicContact CG-CE2 4.47Å; L356-F385 WeakPolarHBondContact O-CE2 3.31Å; C359-F385 HydrophobicContact CB-CE2 4.49Å; C359-F385 HydrophobicContact CB-CZ 3.72Å; M360-F385 HydrophobicContact CE-CB 4.25Å; M360-F385 HydrophobicContact CE-CD1 3.69Å; M360-F385 HydrophobicContact CE-CD2 3.46Å; M360-F385 VanDerWaalsContact CE-CD2 3.46Å; M360-F385 HydrophobicContact CE-CE1 3.75Å; M360-F385 HydrophobicContact CE-CE2 3.54Å; M360-F385 HydrophobicContact CE-CG 3.52Å; M360-F385 HydrophobicContact CE-CZ 3.67Å; M360-F385 VanDerWaalsContact CE-N 3.32Å; M360-F385 HydrophobicContact CG-CD2 4.23Å; M360-F385 HydrophobicContact CG-CE2 3.47Å; M360-F385 VanDerWaalsContact CG-CE2 3.47Å; M360-F385 HydrophobicContact CG-CZ 3.7Å; M360-F385 HydrophobicContact SD-CE1 4.38Å; M360-F385 HydrophobicContact SD-CE2 4.11Å; M360-F385 HydrophobicContact SD-CZ 3.98Å; F385-E387 PolarHBondContact O-N 3.35Å
386V94.7Very high94.6Very high25 Ų2571.6 Ų71.615%0.15239%0.394CS..PPolyproline II helixtrans-71.4125.2175.2-178.20000109.6S3 F5 M192 V388S3-V386 PolarHBondContact N-O 2.74Å; S3-V386 PolarHBondContact OG-O 3.45Å; F5-V386 HydrophobicContact CB-CG2 4.48Å; F5-V386 PolarHBondContact O-N 3.42Å; M192-V386 HydrophobicContact SD-CG2 4.44Å; V386-V388 HydrophobicContact CG1-CG2 3.92Å
387E94.4Very high94.6Very high159 Ų15975.4 Ų75.474%0.74341%0.41SS*.BIsolated β-bridgetrans-82.8132.9167.6-62.2-169.2175.500110.1M1 V2 F385M1-E387 WeakPolarHBondContact O-CA 3.48Å; V2-E387 HydrophobicContact CG2-CG 4.41Å; F385-E387 PolarHBondContact O-N 3.35Å
388V91.5Very high94.6Very high59 Ų5977.4 Ų77.436%0.35842%0.421SS..  trans-131.1132.8-177.3-173.10000109.2M1 V386 G390M1-V388 PolarHBondContact N-O 2.81Å; M1-V388 PolarHBondContact O-N 2.82Å; V386-V388 HydrophobicContact CG1-CG2 3.92Å; V388-G390 PolarHBondContact O-N 3.37Å
389P93.3Very high94.6Very high123 Ų12382.7 Ų82.780%0.79945%0.445SS*.  trans-65.7127.4171.227.3-32.9000109.8
390G93Very high94.6Very high39 Ų3983.9 Ų83.940%0.40245%0.45SS..  trans-107.8161.2174.400000111.2V388V388-G390 PolarHBondContact O-N 3.37Å
391R95.8Very high94.6Very high219 Ų21986.2 Ų86.283%0.82646%0.458SS*.  trans-128.3131.5169.8-64.3-177.8-67.1124.1-0.6108.9
392V94.7Very high94.4Very high147 Ų14793.1 Ų93.189%0.89148%0.484SS*.  trans-90.7109.6169.6-178.10000106.8
393L95.9Very high94Very high121 Ų12194.7 Ų94.763%0.63450%0.501SS*.PPolyproline II helixtrans-72.7141178.5-59179.9000109.6
394P95Very high93.6Very high116 Ų11698.6 Ų98.675%0.75353%0.529SS*.PPolyproline II helixtrans-61.7134.1175.126.1-33.1000109.6
395P96.1Very high93.4Very high70 Ų70103.4 Ų103.446%0.45554%0.536SS..PPolyproline II helixtrans-66.3145.917827.3-32.6000110.3P411P395-P411 HydrophobicContact CB-CB 3.96Å; P395-P411 HydrophobicContact CB-CG 4.18Å; P395-P411 HydrophobicContact CG-CB 4.45Å; P395-P411 WeakPolarHBondContact CG-O 3.4Å
396P96.2Very high93.1Very high99 Ų99105.6 Ų105.664%0.64355%0.554SS**PPolyproline II helixtrans-64.6144.6171.729.1-34.3000110.1P411P396-P411 WeakPolarHBondContact O-CD 3.26Å; P396-P411 WeakPolarHBondContact O-CG 3.46Å
397K94.7Very high93Very high140 Ų140105 Ų10561%0.60955%0.552SS**PPolyproline II helixtrans-75.7138.2172-59.2-163-171.5-154.90109.6V408 E410K397-V408 HydrophobicContact CB-CG1 3.69Å; K397-V408 HydrophobicContact CD-CG1 3.82Å; K397-V408 HydrophobicContact CG-CG1 4.24Å; K397-E410 HydrophobicContact CD-CG 4.34Å; K397-E410 WeakPolarHBondContact CE-OE1 3.34Å; K397-E410 HydrophobicContact CG-CG 4.36Å; K397-E410 IonicContact NZ-OE1 2.64Å; K397-E410 PolarHBondContact NZ-OE1 3.27Å
398L95.1Very high92.9Very high42 Ų42101.6 Ų101.622%0.2254%0.542CS..EExtended strand (participates in β ladder)trans-102.7122.8-179-55.8178.9000109.5Y400 V408 V409 P411 W416L398-Y400 HydrophobicContact CB-CD2 4.22Å; L398-Y400 HydrophobicContact CB-CE2 3.89Å; L398-Y400 HydrophobicContact CD1-CE2 4.4Å; L398-V408 CarbonylContact O-C 3.51Å; L398-V408 WeakPolarHBondContact O-CA 3.41Å; L398-V409 HydrophobicContact CB-CB 4.39Å; L398-V409 PolarHBondContact N-O 3.31Å; L398-V409 PolarHBondContact O-N 2.98Å; L398-P411 HydrophobicContact CD1-CG 3.9Å; L398-P411 HydrophobicContact CG-CG 3.95Å; L398-W416 HydrophobicContact CD1-CB 4.27Å; L398-W416 HydrophobicContact CD1-CD2 3.38Å; L398-W416 HydrophobicContact CD1-CE3 3.98Å; L398-W416 HydrophobicContact CD1-CG 3.5Å; L398-W416 VanDerWaalsContact CD1-CG 3.5Å; L398-W416 HydrophobicContact CD1-CZ2 4.03Å
399E94.7Very high93Very high111 Ų11199.9 Ų99.952%0.51953%0.531SS..EExtended strand (participates in β ladder)trans-90.3127.6176.6-166.8173.5-170.400110.9S406 F424E399-S406 VanDerWaalsContact CG-OG 3.25Å; E399-S406 WeakPolarHBondContact CG-OG 3.45Å; E399-S406 WeakPolarHBondContact OE1-CB 3.41Å; E399-S406 PolarHBondContact OE1-OG 2.75Å; E399-F424 HydrophobicContact CG-CD2 4.1Å; E399-F424 HydrophobicContact CG-CE2 4.12Å
400Y95.5Very high93Very high32 Ų3299.9 Ų99.913%0.12552%0.52CS..EExtended strand (participates in β ladder)trans-130.6-179.4176.7-79-82.8000109.8L398 S406 A407 V409 W416 M418 V421 Q422L398-Y400 HydrophobicContact CB-CD2 4.22Å; L398-Y400 HydrophobicContact CB-CE2 3.89Å; L398-Y400 HydrophobicContact CD1-CE2 4.4Å; Y400-S406 CarbonylContact O-C 3.58Å; Y400-S406 WeakPolarHBondContact O-CA 3.35Å; Y400-A407 PolarHBondContact N-O 2.99Å; Y400-A407 PolarHBondContact O-N 3.12Å; Y400-V409 HydrophobicContact CD2-CB 4.2Å; Y400-V409 HydrophobicContact CD2-CG2 3.76Å; Y400-V409 HydrophobicContact CE2-CB 4.44Å; Y400-V409 HydrophobicContact CE2-CG2 4.29Å; Y400-W416 AromaticContact CZ-NE1 3.96Å; Y400-W416 PolarHBondContact OH-NE1 3.32Å; Y400-M418 HydrophobicContact CD1-CE 3.76Å; Y400-M418 HydrophobicContact CE1-CE 3.34Å; Y400-M418 HydrophobicContact CE1-CG 3.98Å; Y400-M418 HydrophobicContact CE1-SD 3.62Å; Y400-V421 HydrophobicContact CD1-CG2 4.31Å; Y400-V421 HydrophobicContact CD2-CG2 4.35Å; Y400-V421 HydrophobicContact CG-CB 4.27Å; Y400-V421 HydrophobicContact CG-CG2 4.02Å; Y400-Q422 VanDerWaalsContact CD1-O 3.31Å; Y400-Q422 WeakPolarHBondContact CD1-O 3.29Å
401K93.6Very high93.1Very high84 Ų8498.9 Ų98.937%0.36551%0.507SS..EExtended strand (participates in β ladder)trans-100.5151.9167.5-82.4-179.5174.6158.70111.6R405 V421 Q422 F424K401-R405 CarbonylContact C-O 3.52Å; K401-R405 WeakPolarHBondContact CA-O 3.12Å; K401-V421 CarbonylContact O-C 3.47Å; K401-V421 VanDerWaalsContact O-CA 3.26Å; K401-V421 WeakPolarHBondContact O-CA 3.38Å; K401-V421 WeakPolarHBondContact O-CB 3.42Å; K401-Q422 HydrophobicContact CB-CB 4.23Å; K401-Q422 PolarHBondContact N-O 2.49Å; K401-Q422 PolarHBondContact O-N 2.71Å; K401-F424 WeakPolarHBondContact CD-O 2.96Å; K401-F424 WeakPolarHBondContact CE-O 3.16Å; K401-F424 PolarHBondContact NZ-O 2.85Å
402R90.7Very high93Very high144 Ų14492 Ų9254%0.54349%0.493SS..EExtended strand (participates in β ladder)trans-134.395.4162.3179.6178.6-78.8-177.7-3.4107.3N404 R405 A407 D420R402-N404 PolarHBondContact O-N 2.9Å; R402-R405 PolarHBondContact N-O 2.56Å; R402-R405 PolarHBondContact O-N 2.86Å; R402-A407 HydrophobicContact CB-CB 3.72Å; R402-D420 PolarHBondContact NE-O 3.4Å; R402-D420 PolarHBondContact NH2-O 3.14Å
403G86.2Confident92.9Very high40 Ų4092.9 Ų92.941%0.41249%0.492SS..THydrogen-bonded Turntrans61.1-129.5-165.700000110.2R405 Q422G403-R405 VanDerWaalsContact C-N 3.27Å; G403-R405 PolarHBondContact O-N 3.21Å; G403-Q422 VanDerWaalsContact N-OE1 3.09Å
404N84.9Confident92.8Very high176 Ų17690.2 Ų90.294%0.94149%0.494SS*.THydrogen-bonded Turntrans-87.212.4-179.7-66.3-10.6000114R402R402-N404 PolarHBondContact O-N 2.9Å
405R88.5Confident92.8Very high203 Ų20389.3 Ų89.377%0.76649%0.487SS*.EExtended strand (participates in β ladder)trans-116.5151.7-178.4-62.7-176.8-177.6174.31.3111.5K401 R402 G403K401-R405 CarbonylContact C-O 3.52Å; K401-R405 WeakPolarHBondContact CA-O 3.12Å; R402-R405 PolarHBondContact N-O 2.56Å; R402-R405 PolarHBondContact O-N 2.86Å; G403-R405 VanDerWaalsContact C-N 3.27Å; G403-R405 PolarHBondContact O-N 3.21Å
406S90.1Very high92.7Very high69 Ų6992 Ų9248%0.48349%0.488SS..EExtended strand (participates in β ladder)trans-66.1139.7164.4177.80000109.7E399 Y400E399-S406 VanDerWaalsContact CG-OG 3.25Å; E399-S406 WeakPolarHBondContact CG-OG 3.45Å; E399-S406 WeakPolarHBondContact OE1-CB 3.41Å; E399-S406 PolarHBondContact OE1-OG 2.75Å; Y400-S406 CarbonylContact O-C 3.58Å; Y400-S406 WeakPolarHBondContact O-CA 3.35Å
407A91.9Very high92.5Very high13 Ų1392.8 Ų92.811%0.10748%0.483CS..EExtended strand (participates in β ladder)trans-130.3134175.400000108.7Y400 R402 V421Y400-A407 PolarHBondContact N-O 2.99Å; Y400-A407 PolarHBondContact O-N 3.12Å; R402-A407 HydrophobicContact CB-CB 3.72Å; A407-V421 HydrophobicContact CB-CG1 3.82Å
408V92.8Very high92.4Very high87 Ų8789.4 Ų89.453%0.52747%0.47SS..EExtended strand (participates in β ladder)trans-103.9125.4179.8179.50000109.2K397 L398 E410K397-V408 HydrophobicContact CB-CG1 3.69Å; K397-V408 HydrophobicContact CD-CG1 3.82Å; K397-V408 HydrophobicContact CG-CG1 4.24Å; L398-V408 CarbonylContact O-C 3.51Å; L398-V408 WeakPolarHBondContact O-CA 3.41Å; V408-E410 HydrophobicContact CG1-CG 4.43Å
409V93.7Very high92.1Very high22 Ų2295.8 Ų95.813%0.13349%0.491CS..EExtended strand (participates in β ladder)trans-105124.6171.9-179.40000107.9L398 Y400 P411 W416 V421L398-V409 HydrophobicContact CB-CB 4.39Å; L398-V409 PolarHBondContact N-O 3.31Å; L398-V409 PolarHBondContact O-N 2.98Å; Y400-V409 HydrophobicContact CD2-CB 4.2Å; Y400-V409 HydrophobicContact CD2-CG2 3.76Å; Y400-V409 HydrophobicContact CE2-CB 4.44Å; Y400-V409 HydrophobicContact CE2-CG2 4.29Å; V409-P411 WeakPolarHBondContact O-CD 3.45Å; V409-W416 HydrophobicContact CG1-CB 3.84Å; V409-W416 HydrophobicContact CG1-CG 4.4Å; V409-V421 HydrophobicContact CG2-CG1 4.02Å; V409-V421 HydrophobicContact CG2-CG2 4.08Å
410E93.3Very high91.8Very high123 Ų12396.5 Ų96.558%0.57550%0.499SS*.  trans-96.8116.4176.6-62-168.1168.200109.3K397 V408 S412K397-E410 HydrophobicContact CD-CG 4.34Å; K397-E410 WeakPolarHBondContact CE-OE1 3.34Å; K397-E410 HydrophobicContact CG-CG 4.36Å; K397-E410 IonicContact NZ-OE1 2.64Å; K397-E410 PolarHBondContact NZ-OE1 3.27Å; V408-E410 HydrophobicContact CG1-CG 4.43Å; E410-S412 PolarHBondContact O-N 3.23Å
411P95.1Very high91.7Very high19 Ų1995.8 Ų95.812%0.12350%0.498CS..  trans-61.4139.5175.2-22.233.5000111.1P395 P396 L398 V409 T415P395-P411 HydrophobicContact CB-CB 3.96Å; P395-P411 HydrophobicContact CB-CG 4.18Å; P395-P411 HydrophobicContact CG-CB 4.45Å; P395-P411 WeakPolarHBondContact CG-O 3.4Å; P396-P411 WeakPolarHBondContact O-CD 3.26Å; P396-P411 WeakPolarHBondContact O-CG 3.46Å; L398-P411 HydrophobicContact CD1-CG 3.9Å; L398-P411 HydrophobicContact CG-CG 3.95Å; V409-P411 WeakPolarHBondContact O-CD 3.45Å; P411-T415 CarbonylContact C-O 3.59Å; P411-T415 WeakPolarHBondContact CA-O 3.48Å
412S94Very high91.7Very high75 Ų7597 Ų9752%0.52451%0.505SS..BIsolated β-bridgetrans-121.3128.9173.8-177.80000109.5E410 G414 T415E410-S412 PolarHBondContact O-N 3.23Å; S412-G414 PolarHBondContact O-N 3.33Å; S412-G414 VanDerWaalsContact O-N 3.13Å; S412-T415 PolarHBondContact N-O 2.9Å; S412-T415 PolarHBondContact O-N 3.32Å; S412-T415 VanDerWaalsContact O-O 3.1Å; S412-T415 PolarHBondContact O-OG1 3.08Å
413N93Very high91.8Very high164 Ų16496.7 Ų96.788%0.87751%0.507SS*.THydrogen-bonded Turntrans47.940.8-176.7-66.1-35.8000113.7T415N413-T415 VanDerWaalsContact C-N 3.28Å; N413-T415 PolarHBondContact O-N 2.73Å
414G93.2Very high92.1Very high66 Ų6699.9 Ų99.968%0.6851%0.51SS*.THydrogen-bonded Turntrans759.7179.600000115.2S412S412-G414 PolarHBondContact O-N 3.33Å; S412-G414 VanDerWaalsContact O-N 3.13Å
415T95.9Very high92.4Very high96 Ų9699.3 Ų99.359%0.58950%0.502SS*.BIsolated β-bridgetrans-125.4150.9179.966.60000111.4P411 S412 N413P411-T415 CarbonylContact C-O 3.59Å; P411-T415 WeakPolarHBondContact CA-O 3.48Å; S412-T415 PolarHBondContact N-O 2.9Å; S412-T415 PolarHBondContact O-N 3.32Å; S412-T415 VanDerWaalsContact O-O 3.1Å; S412-T415 PolarHBondContact O-OG1 3.08Å; N413-T415 VanDerWaalsContact C-N 3.28Å; N413-T415 PolarHBondContact O-N 2.73Å
416W93.7Very high92.4Very high126 Ų12691.9 Ų91.948%0.47749%0.488SS..  trans-146162.617072.5102.5000109.8L398 Y400 V409L398-W416 HydrophobicContact CD1-CB 4.27Å; L398-W416 HydrophobicContact CD1-CD2 3.38Å; L398-W416 HydrophobicContact CD1-CE3 3.98Å; L398-W416 HydrophobicContact CD1-CG 3.5Å; L398-W416 VanDerWaalsContact CD1-CG 3.5Å; L398-W416 HydrophobicContact CD1-CZ2 4.03Å; Y400-W416 AromaticContact CZ-NE1 3.96Å; Y400-W416 PolarHBondContact OH-NE1 3.32Å; V409-W416 HydrophobicContact CG1-CB 3.84Å; V409-W416 HydrophobicContact CG1-CG 4.4Å
417Q92.8Very high92.4Very high116 Ų11692.2 Ų92.254%0.54250%0.503SS..  trans-130.1147.3177.2-62.3-174.7-1.100109.6R419Q417-R419 HydrophobicContact CB-CG 4.37Å; Q417-R419 PolarHBondContact O-N 2.99Å
418M91.6Very high92.2Very high69 Ų6998.7 Ų98.734%0.3454%0.536SS..  trans-88.232.9178.4-68.3-173.360.900112.8Y400 D420 V421 F423Y400-M418 HydrophobicContact CD1-CE 3.76Å; Y400-M418 HydrophobicContact CE1-CE 3.34Å; Y400-M418 HydrophobicContact CE1-CG 3.98Å; Y400-M418 HydrophobicContact CE1-SD 3.62Å; M418-D420 PolarHBondContact O-N 3.12Å; M418-V421 HydrophobicContact CB-CG2 3.9Å; M418-V421 HydrophobicContact CG-CG2 4.26Å; M418-F423 HydrophobicContact CE-CD1 3.84Å; M418-F423 HydrophobicContact CE-CE1 3.87Å; M418-F423 HydrophobicContact CE-CG 4.29Å; M418-F423 HydrophobicContact CE-CZ 4.36Å; M418-F423 HydrophobicContact SD-CD1 4.47Å; M418-F423 HydrophobicContact SD-CE1 4.01Å
419R88.8Confident92.1Very high176 Ų17699 Ų9966%0.66454%0.54SS*.THydrogen-bonded Turntrans-66.2130.5175.5-64.4-168.8-147.6172.16.3109.1Q417 V421Q417-R419 HydrophobicContact CB-CG 4.37Å; Q417-R419 PolarHBondContact O-N 2.99Å; R419-V421 PolarHBondContact O-N 3.49Å; R419-V421 VanDerWaalsContact O-N 3.13Å
420D88Confident91.9Very high126 Ų126105.1 Ų105.167%0.67457%0.572SS**THydrogen-bonded Turntrans59.323176-46.1-48.7000114.7R402 M418R402-D420 PolarHBondContact NE-O 3.4Å; R402-D420 PolarHBondContact NH2-O 3.14Å; M418-D420 PolarHBondContact O-N 3.12Å
421V94.1Very high91.6Very high17 Ų17106.7 Ų106.710%0.10358%0.584CS.*  trans-133.3153.1172.8-62.10000110.6Y400 K401 A407 V409 M418 R419Y400-V421 HydrophobicContact CD1-CG2 4.31Å; Y400-V421 HydrophobicContact CD2-CG2 4.35Å; Y400-V421 HydrophobicContact CG-CB 4.27Å; Y400-V421 HydrophobicContact CG-CG2 4.02Å; K401-V421 CarbonylContact O-C 3.47Å; K401-V421 VanDerWaalsContact O-CA 3.26Å; K401-V421 WeakPolarHBondContact O-CA 3.38Å; K401-V421 WeakPolarHBondContact O-CB 3.42Å; A407-V421 HydrophobicContact CB-CG1 3.82Å; V409-V421 HydrophobicContact CG2-CG1 4.02Å; V409-V421 HydrophobicContact CG2-CG2 4.08Å; M418-V421 HydrophobicContact CB-CG2 3.9Å; M418-V421 HydrophobicContact CG-CG2 4.26Å; R419-V421 PolarHBondContact O-N 3.49Å; R419-V421 VanDerWaalsContact O-N 3.13Å
422Q93.3Very high91.3Very high110 Ų110114.4 Ų114.451%0.51462%0.616SS.*BIsolated β-bridgetrans-115.9157.1179.8-64.3167.5-51.700108.9Y400 K401 G403 F424Y400-Q422 VanDerWaalsContact CD1-O 3.31Å; Y400-Q422 WeakPolarHBondContact CD1-O 3.29Å; K401-Q422 HydrophobicContact CB-CB 4.23Å; K401-Q422 PolarHBondContact N-O 2.49Å; K401-Q422 PolarHBondContact O-N 2.71Å; G403-Q422 VanDerWaalsContact N-OE1 3.09Å; Q422-F424 PolarHBondContact O-N 3.25Å
423F93.6Very high90.6Very high137 Ų137119.9 Ų119.960%0.60165%0.654SS**  trans-49.6139.2172.3-67.6-63.4000111.3M418 Q425M418-F423 HydrophobicContact CE-CD1 3.84Å; M418-F423 HydrophobicContact CE-CE1 3.87Å; M418-F423 HydrophobicContact CE-CG 4.29Å; M418-F423 HydrophobicContact CE-CZ 4.36Å; M418-F423 HydrophobicContact SD-CD1 4.47Å; M418-F423 HydrophobicContact SD-CE1 4.01Å; F423-Q425 PolarHBondContact O-N 3.41Å
424F92.1Very high90.5Very high107 Ų107117.7 Ų117.747%0.46964%0.643SS.*THydrogen-bonded Turntrans-54.1-41.5178.1-178.5-94.9000111.7E399 K401 Q422E399-F424 HydrophobicContact CG-CD2 4.1Å; E399-F424 HydrophobicContact CG-CE2 4.12Å; K401-F424 WeakPolarHBondContact CD-O 2.96Å; K401-F424 WeakPolarHBondContact CE-O 3.16Å; K401-F424 PolarHBondContact NZ-O 2.85Å; Q422-F424 PolarHBondContact O-N 3.25Å
425Q91Very high90.4Very high164 Ų164120.4 Ų120.477%0.76664%0.641SS**THydrogen-bonded Turntrans-136.4101.8165.8-174.6173200108.2F423F423-Q425 PolarHBondContact O-N 3.41Å
426G89.3Confident90.1Very high47 Ų47121.7 Ų121.749%0.48564%0.644SS.*  trans-73.1137.8171.500000110.2
427G89.4Confident89.8Confident76 Ų76121.5 Ų121.578%0.78465%0.654SS**  trans-83.6142.5167.100000110.4C429G427-C429 PolarHBondContact O-N 3.47Å
428D87.5Confident89.7Confident150 Ų150121.8 Ų121.880%0.80266%0.661SS**  trans-84.4110.8174.8-67.4-37.4000109.9L430D428-L430 PolarHBondContact O-N 3.19Å
429C89.9Confident89.5Confident92 Ų92125.3 Ų125.362%0.62268%0.682SS**  trans-85.288.5175.8-167.80000109.7G427G427-C429 PolarHBondContact O-N 3.47Å
430L90.7Very high89.6Confident152 Ų152121.7 Ų121.780%0.79668%0.683SS**  trans-73.2-26.3-176.7-64.1175000113.7D428D428-L430 PolarHBondContact O-N 3.19Å
431N85.7Confident89.7Confident155 Ų155121.4 Ų121.483%0.82968%0.684SS**  trans-134.7118.5179.2-68.8-46.5000109.8
432F89Confident89.3Confident181 Ų181130.1 Ų130.179%0.79473%0.732SS**  trans-137.2148.7168.865.4-83.4000109.4
433S80.7Confident89Confident190 Ų190131.9 Ų131.9100%1.32975%0.752SS**  trans-121.10-179.961.80000110.7

Retrieved 433 of 433 residues in 154.9 ms (Link to these results)

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