A0A077YYW5_TRITR Loading...

EGF-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A077YYW5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 361 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
1M29.1Very low54.9Low223 Ų22391.2 Ų91.2100%1.09949%0.488SS*.  089.80-85.1-178.7164.500107L3M1-L3 PolarHBondContact O-N 3.36Å
2E24.8Very low57.5Low197 Ų19792.3 Ų92.392%0.92149%0.491SS*.  trans-64.8107.2173.8-77.8172.6144.900107.8S4E2-S4 PolarHBondContact O-N 3.11Å; E2-S4 VanDerWaalsContact O-N 3.12Å
3L31.8Very low59.6Low122 Ų12286.8 Ų86.864%0.63946%0.464SS*.  trans-60.1112.5164.4-79138.1000105.5M1M1-L3 PolarHBondContact O-N 3.36Å
4S30.1Very low61.2Low93 Ų9392.7 Ų92.765%0.6549%0.487SS*.  trans-41.6130.8160.8-55.10000107.1E2 L6E2-S4 PolarHBondContact O-N 3.11Å; E2-S4 VanDerWaalsContact O-N 3.12Å; S4-L6 PolarHBondContact O-N 3.16Å
5P35.2Very low62.7Low115 Ų11596.5 Ų96.575%0.74751%0.508SS*.  trans-59.7117.5-173.420-24.4000106.3K7P5-K7 PolarHBondContact O-N 2.03Å; P5-K7 VanDerWaalsContact O-N 3.11Å
6L54Low64.1Low85 Ų8592.3 Ų92.345%0.44550%0.495SS..  trans-45.4126.9162-87.7134.9000104.5S4 Y8 Q235S4-L6 PolarHBondContact O-N 3.16Å; L6-Y8 CarbonylContact C-O 3.52Å; L6-Y8 VanDerWaalsContact CB-O 3.23Å; L6-Y8 WeakPolarHBondContact CB-O 3.34Å; L6-Y8 CarbonylContact O-C 3.58Å; L6-Y8 VanDerWaalsContact O-C 3.26Å; L6-Y8 PolarHBondContact O-N 3.11Å; L6-Q235 HydrophobicContact CD2-CB 4.4Å
7K67.3Low65.5Low106 Ų10690.5 Ų90.546%0.46148%0.482SS..SBendtrans-46.2-25.4-174.3-177-177.5174.7-172.40112.7P5 Q235P5-K7 PolarHBondContact O-N 2.03Å; P5-K7 VanDerWaalsContact O-N 3.11Å; K7-Q235 VanDerWaalsContact CB-OE1 3.25Å
8Y75.8Confident66.8Low8 Ų886.7 Ų86.73%0.03146%0.463CS..SBendtrans-126131.1169.9-50.5-64.1000108.2L6 V22 K26 F46L6-Y8 CarbonylContact C-O 3.52Å; L6-Y8 VanDerWaalsContact CB-O 3.23Å; L6-Y8 WeakPolarHBondContact CB-O 3.34Å; L6-Y8 CarbonylContact O-C 3.58Å; L6-Y8 VanDerWaalsContact O-C 3.26Å; L6-Y8 PolarHBondContact O-N 3.11Å; Y8-V22 HydrophobicContact CD1-CG1 4.36Å; Y8-V22 HydrophobicContact CD1-CG2 4.47Å; Y8-V22 HydrophobicContact CD2-CG2 4.38Å; Y8-V22 HydrophobicContact CE1-CG1 4.19Å; Y8-V22 HydrophobicContact CG-CG2 4.21Å; Y8-K26 HydrophobicContact CE1-CG 4.2Å; Y8-F46 HydrophobicContact CD2-CE1 4.14Å; Y8-F46 AromaticContact CD2-CZ 3.61Å; Y8-F46 HydrophobicContact CD2-CZ 3.61Å; Y8-F46 HydrophobicContact CE2-CZ 4.07Å
9G81.1Confident68.1Low8 Ų882.2 Ų82.28%0.08244%0.439CS..  trans-56.4167.3168.300000112.5S20 F21 A66G9-S20 CarbonylContact O-C 3.56Å; G9-S20 WeakPolarHBondContact O-CA 3.24Å; G9-F21 PolarHBondContact O-N 2.9Å; G9-A66 CarbonylContact C-O 3.56Å; G9-A66 WeakPolarHBondContact CA-O 3.24Å
10G87.1Confident69.3Low17 Ų1778.4 Ų78.418%0.17542%0.419CS..EExtended strand (participates in β ladder)trans177.5-165.4-176.500000115V19 A66G10-V19 CarbonylContact C-O 3.59Å; G10-V19 WeakPolarHBondContact CA-O 3.27Å; G10-A66 PolarHBondContact N-O 3.3Å; G10-A66 PolarHBondContact O-N 3.03Å
11Y87.3Confident70.3Confident29 Ų2974.7 Ų74.711%0.11440%0.4CS..EExtended strand (participates in β ladder)trans-145.6169.217172.1-81.6000111.4T13 V19 F21 W54 I62Y11-T13 HydrophobicContact CE2-CG2 3.94Å; Y11-V19 HydrophobicContact CD1-CB 3.82Å; Y11-V19 HydrophobicContact CD1-CG1 4.13Å; Y11-V19 HydrophobicContact CE1-CB 3.47Å; Y11-V19 VanDerWaalsContact CE1-CB 3.47Å; Y11-V19 HydrophobicContact CE1-CG1 3.53Å; Y11-V19 HydrophobicContact CE1-CG2 3.93Å; Y11-V19 HydrophobicContact CE2-CB 4.48Å; Y11-V19 HydrophobicContact CE2-CG2 4.26Å; Y11-V19 HydrophobicContact CG-CB 4.46Å; Y11-V19 PolarHBondContact N-O 2.92Å; Y11-V19 PolarHBondContact O-N 3.1Å; Y11-F21 AromaticContact CD1-CE2 3.76Å; Y11-F21 HydrophobicContact CD1-CE2 3.76Å; Y11-F21 AromaticContact CD1-CZ 3.59Å; Y11-F21 HydrophobicContact CD1-CZ 3.59Å; Y11-F21 HydrophobicContact CE1-CE1 4.33Å; Y11-F21 HydrophobicContact CE1-CE2 4.23Å; Y11-F21 AromaticContact CE1-CZ 3.57Å; Y11-F21 HydrophobicContact CE1-CZ 3.57Å; Y11-W54 PolarHBondContact OH-NE1 2.87Å; Y11-W54 VanDerWaalsContact OH-NE1 3.1Å; Y11-I62 HydrophobicContact CD1-CG2 4.12Å; Y11-I62 HydrophobicContact CE1-CG1 4.39Å; Y11-I62 HydrophobicContact CE1-CG2 3.93Å
12I85.8Confident73.3Confident104 Ų10464.1 Ų64.153%0.53335%0.347SS..EExtended strand (participates in β ladder)trans-106.7129.2174.9-60.5176000108.2K17I12-K17 CarbonylContact C-O 3.52Å; I12-K17 WeakPolarHBondContact CA-O 3.48Å
13T85.7Confident76.4Confident22 Ų2255.5 Ų55.514%0.13531%0.309CS..  trans-73.7162.6176.972.70000111Y11 N15 G16 K17 V19Y11-T13 HydrophobicContact CE2-CG2 3.94Å; T13-N15 PolarHBondContact O-N 3.21Å; T13-N15 VanDerWaalsContact O-N 3.12Å; T13-G16 PolarHBondContact O-N 3.28Å; T13-K17 HydrophobicContact CG2-CB 4.42Å; T13-K17 PolarHBondContact N-O 3.21Å; T13-K17 PolarHBondContact OG1-N 3.13Å; T13-K17 PolarHBondContact OG1-O 3.3Å; T13-V19 HydrophobicContact CG2-CG2 3.7Å
14Q81.9Confident79.1Confident169 Ų16953.1 Ų53.179%0.7929%0.293SS*.THydrogen-bonded Turntrans-57.5-28.1176.7-69.2179.7-24.400112.8G16Q14-G16 PolarHBondContact O-N 2.83Å
15N83.6Confident81.8Confident149 Ų14956.2 Ų56.280%0.79730%0.297SS*.THydrogen-bonded Turntrans-85.98.1179-59.7-6.9000112.6T13 K17T13-N15 PolarHBondContact O-N 3.21Å; T13-N15 VanDerWaalsContact O-N 3.12Å; N15-K17 VanDerWaalsContact C-N 3.32Å; N15-K17 PolarHBondContact O-N 2.94Å
16G84.2Confident84.2Confident29 Ų2956.4 Ų56.430%0.29929%0.286SS..SBendtrans78.96.3176.800000115.6T13 Q14 K200T13-G16 PolarHBondContact O-N 3.28Å; Q14-G16 PolarHBondContact O-N 2.83Å; G16-K200 WeakPolarHBondContact O-CE 3.31Å
17K88Confident85.2Confident63 Ų6353.6 Ų53.627%0.27427%0.272SS..  trans-77.4154.3171.2-60.6-76.2-176.8168.30110.1I12 T13 N15 E197 N199I12-K17 CarbonylContact C-O 3.52Å; I12-K17 WeakPolarHBondContact CA-O 3.48Å; T13-K17 HydrophobicContact CG2-CB 4.42Å; T13-K17 PolarHBondContact N-O 3.21Å; T13-K17 PolarHBondContact OG1-N 3.13Å; T13-K17 PolarHBondContact OG1-O 3.3Å; N15-K17 VanDerWaalsContact C-N 3.32Å; N15-K17 PolarHBondContact O-N 2.94Å; K17-E197 HydrophobicContact CB-CG 4.02Å; K17-N199 VanDerWaalsContact CD-OD1 3.24Å; K17-N199 WeakPolarHBondContact CD-OD1 3.5Å; K17-N199 WeakPolarHBondContact CE-OD1 3.37Å; K17-N199 PolarHBondContact NZ-OD1 2.71Å
18C89.7Confident85.4Confident22 Ų2252 Ų5215%0.14927%0.272CS..EExtended strand (participates in β ladder)trans-97.1143.2174.6-70.30000109.7E197 H198 K200C18-E197 CarbonylContact O-C 3.46Å; C18-E197 VanDerWaalsContact O-CA 3.31Å; C18-E197 WeakPolarHBondContact O-CA 3.43Å; C18-H198 WeakPolarHBondContact CB-CE1 3.36Å; C18-H198 PolarHBondContact N-O 2.69Å; C18-H198 PolarHBondContact O-N 3.29Å; C18-K200 VanDerWaalsContact SG-CG 3.52Å
19V91.7Very high85.4Confident1 Ų162 Ų621%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-119.9117.4168.5177.70000107.8G10 Y11 T13 F21 M52 W54 A195 C196 E197G10-V19 CarbonylContact C-O 3.59Å; G10-V19 WeakPolarHBondContact CA-O 3.27Å; Y11-V19 HydrophobicContact CD1-CB 3.82Å; Y11-V19 HydrophobicContact CD1-CG1 4.13Å; Y11-V19 HydrophobicContact CE1-CB 3.47Å; Y11-V19 VanDerWaalsContact CE1-CB 3.47Å; Y11-V19 HydrophobicContact CE1-CG1 3.53Å; Y11-V19 HydrophobicContact CE1-CG2 3.93Å; Y11-V19 HydrophobicContact CE2-CB 4.48Å; Y11-V19 HydrophobicContact CE2-CG2 4.26Å; Y11-V19 HydrophobicContact CG-CB 4.46Å; Y11-V19 PolarHBondContact N-O 2.92Å; Y11-V19 PolarHBondContact O-N 3.1Å; T13-V19 HydrophobicContact CG2-CG2 3.7Å; V19-F21 HydrophobicContact CG1-CE1 4.12Å; V19-F21 HydrophobicContact CG1-CZ 4.36Å; V19-M52 HydrophobicContact CG1-CG 4.4Å; V19-M52 HydrophobicContact CG2-CG 4.43Å; V19-W54 HydrophobicContact CG1-CZ2 4.32Å; V19-A195 HydrophobicContact CG1-CB 3.84Å; V19-C196 CarbonylContact C-O 3.56Å; V19-C196 WeakPolarHBondContact CA-O 3.3Å; V19-E197 HydrophobicContact CG2-CB 4.29Å; V19-E197 HydrophobicContact CG2-CG 4.26Å
20S91.2Very high85Confident5 Ų562 Ų624%0.03531%0.314CS..EExtended strand (participates in β ladder)trans-102.5129.3177.4-68.50000110.5G9 F46 A195 C196 H198G9-S20 CarbonylContact O-C 3.56Å; G9-S20 WeakPolarHBondContact O-CA 3.24Å; S20-F46 WeakPolarHBondContact OG-CE1 3.16Å; S20-A195 WeakPolarHBondContact O-CA 3.48Å; S20-C196 PolarHBondContact N-O 3.31Å; S20-C196 PolarHBondContact O-N 2.67Å; S20-H198 PolarHBondContact OG-NE2 3.23Å
21F91.5Very high84.2Confident2 Ų264.2 Ų64.21%0.00934%0.337CS..EExtended strand (participates in β ladder)trans-90.9111.4175.6-61.7-58.6000110.5G9 Y11 V19 W54 P65 M67 I76 L170 Y193 A195G9-F21 PolarHBondContact O-N 2.9Å; Y11-F21 AromaticContact CD1-CE2 3.76Å; Y11-F21 HydrophobicContact CD1-CE2 3.76Å; Y11-F21 AromaticContact CD1-CZ 3.59Å; Y11-F21 HydrophobicContact CD1-CZ 3.59Å; Y11-F21 HydrophobicContact CE1-CE1 4.33Å; Y11-F21 HydrophobicContact CE1-CE2 4.23Å; Y11-F21 AromaticContact CE1-CZ 3.57Å; Y11-F21 HydrophobicContact CE1-CZ 3.57Å; V19-F21 HydrophobicContact CG1-CE1 4.12Å; V19-F21 HydrophobicContact CG1-CZ 4.36Å; F21-W54 HydrophobicContact CE1-CH2 4.25Å; F21-W54 HydrophobicContact CE1-CZ2 4.42Å; F21-P65 HydrophobicContact CD2-CB 4.29Å; F21-P65 HydrophobicContact CE2-CB 3.42Å; F21-P65 VanDerWaalsContact CE2-CB 3.42Å; F21-P65 HydrophobicContact CZ-CB 4.15Å; F21-M67 HydrophobicContact CB-SD 4.03Å; F21-M67 HydrophobicContact CD2-CG 4.31Å; F21-M67 HydrophobicContact CD2-SD 3.75Å; F21-M67 HydrophobicContact CE2-SD 4.49Å; F21-M67 HydrophobicContact CG-SD 3.99Å; F21-I76 HydrophobicContact CD1-CD1 3.77Å; F21-I76 HydrophobicContact CD1-CG2 4.14Å; F21-I76 HydrophobicContact CE1-CD1 3.48Å; F21-I76 VanDerWaalsContact CE1-CD1 3.48Å; F21-I76 HydrophobicContact CE1-CG2 4.18Å; F21-I76 HydrophobicContact CG-CD1 4.5Å; F21-I76 HydrophobicContact CZ-CD1 3.99Å; F21-L170 HydrophobicContact CZ-CD1 4.29Å; F21-Y193 HydrophobicContact CB-CD1 4.05Å; F21-Y193 HydrophobicContact CB-CG 4.48Å; F21-A195 HydrophobicContact CD1-CB 3.85Å; F21-A195 HydrophobicContact CE1-CB 3.94Å
22V91.2Very high83.3Confident0 Ų072.2 Ų72.20%037%0.367CS..EExtended strand (participates in β ladder)trans-101123.9-176.2-174.80000109Y8 K26 F41 F46 Y193 F194Y8-V22 HydrophobicContact CD1-CG1 4.36Å; Y8-V22 HydrophobicContact CD1-CG2 4.47Å; Y8-V22 HydrophobicContact CD2-CG2 4.38Å; Y8-V22 HydrophobicContact CE1-CG1 4.19Å; Y8-V22 HydrophobicContact CG-CG2 4.21Å; V22-K26 HydrophobicContact CG1-CB 3.95Å; V22-F41 HydrophobicContact CB-CE1 4.34Å; V22-F41 HydrophobicContact CG1-CE1 3.71Å; V22-F41 HydrophobicContact CG1-CZ 3.72Å; V22-F41 HydrophobicContact CG2-CE1 3.96Å; V22-F46 HydrophobicContact CG2-CE2 4.09Å; V22-F46 HydrophobicContact CG2-CZ 4.13Å; V22-Y193 VanDerWaalsContact O-CA 3.3Å; V22-Y193 WeakPolarHBondContact O-CA 3.33Å; V22-F194 HydrophobicContact CB-CD1 3.94Å; V22-F194 HydrophobicContact CB-CE1 3.4Å; V22-F194 VanDerWaalsContact CB-CE1 3.4Å; V22-F194 HydrophobicContact CB-CE2 4.09Å; V22-F194 HydrophobicContact CB-CG 4.48Å; V22-F194 HydrophobicContact CB-CZ 3.51Å; V22-F194 HydrophobicContact CG1-CD1 4.31Å; V22-F194 HydrophobicContact CG1-CE1 3.36Å; V22-F194 HydrophobicContact CG1-CE2 4.47Å; V22-F194 HydrophobicContact CG1-CZ 3.48Å; V22-F194 VanDerWaalsContact CG1-CZ 3.48Å; V22-F194 HydrophobicContact CG2-CE1 4.46Å; V22-F194 HydrophobicContact CG2-CE2 4.35Å; V22-F194 HydrophobicContact CG2-CZ 4.11Å; V22-F194 PolarHBondContact N-O 3.13Å; V22-F194 VanDerWaalsContact O-CD1 3.28Å; V22-F194 WeakPolarHBondContact O-CD1 3.23Å; V22-F194 PolarHBondContact O-N 3.2Å
23P91Very high83Confident17 Ų1773.7 Ų73.711%0.1137%0.367CS..EExtended strand (participates in β ladder)trans-68.5144.3-17923.9-29.2000111E25 K26 Y193P23-E25 WeakPolarHBondContact CB-OE2 3.38Å; P23-E25 PolarHBondContact O-N 2.01Å; P23-K26 HydrophobicContact CG-CG 3.78Å; P23-K26 WeakPolarHBondContact O-CB 3.31Å; P23-K26 PolarHBondContact O-N 3.21Å; P23-Y193 VanDerWaalsContact CA-CD1 3.48Å; P23-Y193 HydrophobicContact CB-CD1 3.97Å; P23-Y193 HydrophobicContact CB-CE1 3.63Å; P23-Y193 HydrophobicContact CG-CE1 4.27Å
24K88.6Confident83.2Confident72 Ų7272.9 Ų72.931%0.31336%0.362SS..G310 helixtrans-54.4-30.4-175.9175.4178.2167.2-172.70113.2K26 I27 K189 F191 D192K24-K26 PolarHBondContact O-N 2.79Å; K24-I27 HydrophobicContact CB-CD1 4.19Å; K24-I27 HydrophobicContact CG-CD1 3.97Å; K24-I27 WeakPolarHBondContact O-CB 3Å; K24-I27 WeakPolarHBondContact O-CD1 3.4Å; K24-I27 VanDerWaalsContact O-CG1 3.23Å; K24-I27 WeakPolarHBondContact O-CG1 3.06Å; K24-I27 PolarHBondContact O-N 3.47Å; K24-K189 WeakPolarHBondContact CE-O 3.33Å; K24-K189 PolarHBondContact NZ-O 2.04Å; K24-F191 HydrophobicContact CB-CD2 4.18Å; K24-F191 HydrophobicContact CB-CE2 3.9Å; K24-F191 HydrophobicContact CD-CD2 4.28Å; K24-F191 HydrophobicContact CD-CE2 4.07Å; K24-F191 HydrophobicContact CD-CZ 4.41Å; K24-F191 WeakPolarHBondContact CD-O 3.39Å; K24-F191 HydrophobicContact CG-CD2 4.38Å; K24-F191 HydrophobicContact CG-CE2 3.84Å; K24-F191 HydrophobicContact CG-CZ 4.34Å; K24-D192 WeakPolarHBondContact CB-O 3.43Å; K24-D192 PolarHBondContact N-O 3.21Å
25E86.9Confident83.6Confident157 Ų15765.1 Ų65.173%0.73433%0.325SS*.G310 helixtrans-70.2-15.6-179.3-56.475.2-160.200113.5P23 I27P23-E25 WeakPolarHBondContact CB-OE2 3.38Å; P23-E25 PolarHBondContact O-N 2.01Å; E25-I27 VanDerWaalsContact C-N 3.33Å
26K85.3Confident83.7Confident119 Ų11961.3 Ų61.352%0.51730%0.303SS..G310 helixtrans-85.9-8.4175.9-64.5-69.4-176.2-172.10112.9Y8 V22 P23 K24Y8-K26 HydrophobicContact CE1-CG 4.2Å; V22-K26 HydrophobicContact CG1-CB 3.95Å; P23-K26 HydrophobicContact CG-CG 3.78Å; P23-K26 WeakPolarHBondContact O-CB 3.31Å; P23-K26 PolarHBondContact O-N 3.21Å; K24-K26 PolarHBondContact O-N 2.79Å
27I75.2Confident84Confident27 Ų2761 Ų6114%0.13830%0.296CS..SBendtrans-70.2134.7-179.4-57167.8000108.8K24 E25 C30 L38 F191 F194K24-I27 HydrophobicContact CB-CD1 4.19Å; K24-I27 HydrophobicContact CG-CD1 3.97Å; K24-I27 WeakPolarHBondContact O-CB 3Å; K24-I27 WeakPolarHBondContact O-CD1 3.4Å; K24-I27 VanDerWaalsContact O-CG1 3.23Å; K24-I27 WeakPolarHBondContact O-CG1 3.06Å; K24-I27 PolarHBondContact O-N 3.47Å; E25-I27 VanDerWaalsContact C-N 3.33Å; I27-C30 WeakPolarHBondContact CG2-SG 3.34Å; I27-L38 HydrophobicContact CB-CD2 4.35Å; I27-L38 HydrophobicContact CD1-CD2 3.66Å; I27-L38 HydrophobicContact CG1-CD2 3.74Å; I27-L38 HydrophobicContact CG2-CD2 3.56Å; I27-F191 HydrophobicContact CD1-CE2 3.61Å; I27-F191 HydrophobicContact CD1-CZ 3.79Å; I27-F194 HydrophobicContact CD1-CD1 3.79Å; I27-F194 HydrophobicContact CD1-CE1 3.81Å; I27-F194 HydrophobicContact CG1-CD1 3.85Å; I27-F194 HydrophobicContact CG1-CE1 3.32Å; I27-F194 HydrophobicContact CG1-CZ 4.1Å
28P70.2Confident84.2Confident72 Ų7258 Ų5847%0.46828%0.283SS..  trans-53.5165.4166.2-22.132000111.4C30 F41P28-C30 PolarHBondContact O-N 2.91Å; P28-C30 PolarHBondContact O-SG 3.23Å; P28-F41 HydrophobicContact CG-CD2 4.3Å
29K77.4Confident84.3Confident217 Ų21757.3 Ų57.394%0.94328%0.277SS*.  trans-69.180.9172.3-73.6-174179.4179.10110.2G31K29-G31 PolarHBondContact O-N 2.95Å
30C72.8Confident84Confident9 Ų960.5 Ų60.56%0.06129%0.292CS..  trans-67.2123.3175.9-54.30000108.8I27 P28 L34 C37 K189I27-C30 WeakPolarHBondContact CG2-SG 3.34Å; P28-C30 PolarHBondContact O-N 2.91Å; P28-C30 PolarHBondContact O-SG 3.23Å; C30-L34 HydrophobicContact CB-CD1 4.06Å; C30-C37 VanDerWaalsContact CA-SG 3.52Å; C30-C37 HydrophobicContact CB-CB 3.48Å; C30-C37 VanDerWaalsContact CB-CB 3.48Å; C30-C37 WeakPolarHBondContact CB-SG 3.45Å; C30-C37 WeakPolarHBondContact SG-CB 3.36Å; C30-C37 CovalentContact SG-SG 2.03Å; C30-C37 PolarHBondContact SG-SG 3.42Å; C30-K189 PolarHBondContact O-NZ 2.77Å; C30-K189 VanDerWaalsContact O-NZ 3.17Å
31G69.9Low83.9Confident63 Ų6361.2 Ų61.265%0.64930%0.295SS*.  trans-71.5-132.6176.300000112.2K29 Y33K29-G31 PolarHBondContact O-N 2.95Å; G31-Y33 VanDerWaalsContact C-N 3.32Å; G31-Y33 PolarHBondContact O-N 2.84Å
32R66.8Low83.9Confident197 Ų19761.1 Ų61.174%0.74329%0.294SS*.SBendtrans-66.5-31.1-178.4-81.5-173.4-176.5177.92.3113.9L34R32-L34 PolarHBondContact O-N 2.93Å
33Y80.9Confident83.6Confident136 Ų13661.3 Ų61.353%0.53330%0.296SS..  trans-10177.2-174.7-55.9-78.4000110.4G31 H35 E36 C37G31-Y33 VanDerWaalsContact C-N 3.32Å; G31-Y33 PolarHBondContact O-N 2.84Å; Y33-H35 VanDerWaalsContact C-N 3.3Å; Y33-H35 PolarHBondContact O-N 3.4Å; Y33-E36 VanDerWaalsContact CB-OE2 3.25Å; Y33-E36 WeakPolarHBondContact CB-OE2 3.21Å; Y33-C37 WeakPolarHBondContact O-CB 3.45Å; Y33-C37 PolarHBondContact O-N 2.69Å
34L89.2Confident83.2Confident5 Ų561.5 Ų61.53%0.02630%0.296CS..Hα-helixtrans-56.9-46.5178.3176.767.1000111.2C30 R32 C37 L38 C186 K189 F191C30-L34 HydrophobicContact CB-CD1 4.06Å; R32-L34 PolarHBondContact O-N 2.93Å; L34-C37 WeakPolarHBondContact O-CB 3.12Å; L34-C37 PolarHBondContact O-N 2.81Å; L34-L38 HydrophobicContact CD1-CD1 4.03Å; L34-L38 HydrophobicContact CD1-CD2 4.46Å; L34-L38 HydrophobicContact CD1-CG 4.09Å; L34-L38 HydrophobicContact CD2-CD1 4.5Å; L34-L38 HydrophobicContact CG-CD1 3.96Å; L34-L38 HydrophobicContact CG-CG 4.32Å; L34-L38 VanDerWaalsContact O-CG 3.29Å; L34-L38 WeakPolarHBondContact O-CG 2.91Å; L34-L38 PolarHBondContact O-N 2.02Å; L34-C186 HydrophobicContact CD2-CB 4.28Å; L34-K189 HydrophobicContact CD1-CD 4.47Å; L34-K189 HydrophobicContact CD2-CG 4.25Å; L34-F191 HydrophobicContact CD2-CE1 3.89Å; L34-F191 HydrophobicContact CD2-CZ 4.34Å
35H89.6Confident83Confident5 Ų559.5 Ų59.52%0.02329%0.288CS..Hα-helixtrans-65.8-43.6-172.654.2-93.3000113.2Y33 L38 Q39 I81 F110Y33-H35 VanDerWaalsContact C-N 3.3Å; Y33-H35 PolarHBondContact O-N 3.4Å; H35-L38 PolarHBondContact O-N 3.17Å; H35-Q39 WeakPolarHBondContact O-CB 3.46Å; H35-Q39 PolarHBondContact O-N 2.65Å; H35-I81 HydrophobicContact CB-CB 4.45Å; H35-I81 HydrophobicContact CB-CD1 3.41Å; H35-I81 VanDerWaalsContact CB-CD1 3.41Å; H35-I81 HydrophobicContact CB-CG1 4.47Å; H35-I81 HydrophobicContact CB-CG2 4.41Å; H35-F110 HydrophobicContact CB-CD1 3.61Å; H35-F110 HydrophobicContact CB-CE1 3.87Å; H35-F110 HydrophobicContact CB-CG 4.18Å; H35-F110 AromaticContact CD2-CD1 3.69Å; H35-F110 AromaticContact CD2-CD2 3.5Å; H35-F110 VanDerWaalsContact CD2-CD2 3.5Å; H35-F110 WeakPolarHBondContact CD2-CD2 3.45Å; H35-F110 AromaticContact CD2-CE2 3.9Å; H35-F110 AromaticContact CD2-CG 3.37Å; H35-F110 WeakPolarHBondContact CD2-CG 3.48Å; H35-F110 AromaticContact CG-CD1 3.95Å
36E86.8Confident82.8Confident69 Ų6952.2 Ų52.232%0.32225%0.254SS..Hα-helixtrans-61.1-45.4174.1-67.4170.3-171.200111.4Y33 L38 Q39 E40 F110 I322Y33-E36 VanDerWaalsContact CB-OE2 3.25Å; Y33-E36 WeakPolarHBondContact CB-OE2 3.21Å; E36-L38 VanDerWaalsContact C-N 3.33Å; E36-L38 PolarHBondContact O-N 3.47Å; E36-Q39 PolarHBondContact O-N 2.84Å; E36-E40 WeakPolarHBondContact O-CB 3.37Å; E36-E40 PolarHBondContact O-N 3.01Å; E36-F110 HydrophobicContact CG-CE2 4.43Å; E36-I322 HydrophobicContact CB-CG2 4.34Å; E36-I322 HydrophobicContact CG-CG2 4.08Å
37C89.8Confident82.4Confident23 Ų2348.6 Ų48.616%0.15524%0.244CC..Hα-helixtrans-62.2-38.8179.1-179.90000112.5C30 Y33 L34 F41C30-C37 VanDerWaalsContact CA-SG 3.52Å; C30-C37 HydrophobicContact CB-CB 3.48Å; C30-C37 VanDerWaalsContact CB-CB 3.48Å; C30-C37 WeakPolarHBondContact CB-SG 3.45Å; C30-C37 WeakPolarHBondContact SG-CB 3.36Å; C30-C37 CovalentContact SG-SG 2.03Å; C30-C37 PolarHBondContact SG-SG 3.42Å; Y33-C37 WeakPolarHBondContact O-CB 3.45Å; Y33-C37 PolarHBondContact O-N 2.69Å; L34-C37 WeakPolarHBondContact O-CB 3.12Å; L34-C37 PolarHBondContact O-N 2.81Å; C37-F41 PolarHBondContact O-N 2.71Å
38L92.5Very high82.6Confident0 Ų049.7 Ų49.70%025%0.248CC..Hα-helixtrans-71.6-38.7175.9-65.2-179.1000112.5I27 L34 H35 E36 E40 F41 C42 L51 L77 F194I27-L38 HydrophobicContact CB-CD2 4.35Å; I27-L38 HydrophobicContact CD1-CD2 3.66Å; I27-L38 HydrophobicContact CG1-CD2 3.74Å; I27-L38 HydrophobicContact CG2-CD2 3.56Å; L34-L38 HydrophobicContact CD1-CD1 4.03Å; L34-L38 HydrophobicContact CD1-CD2 4.46Å; L34-L38 HydrophobicContact CD1-CG 4.09Å; L34-L38 HydrophobicContact CD2-CD1 4.5Å; L34-L38 HydrophobicContact CG-CD1 3.96Å; L34-L38 HydrophobicContact CG-CG 4.32Å; L34-L38 VanDerWaalsContact O-CG 3.29Å; L34-L38 WeakPolarHBondContact O-CG 2.91Å; L34-L38 PolarHBondContact O-N 2.02Å; H35-L38 PolarHBondContact O-N 3.17Å; E36-L38 VanDerWaalsContact C-N 3.33Å; E36-L38 PolarHBondContact O-N 3.47Å; L38-E40 VanDerWaalsContact C-N 3.35Å; L38-F41 WeakPolarHBondContact O-CB 3.44Å; L38-F41 PolarHBondContact O-N 2.9Å; L38-C42 PolarHBondContact O-N 3.29Å; L38-C42 PolarHBondContact O-SG 2.73Å; L38-C42 VanDerWaalsContact O-SG 3.4Å; L38-L51 HydrophobicContact CB-CD1 3.95Å; L38-L51 HydrophobicContact CB-CD2 4.2Å; L38-L51 HydrophobicContact CD1-CD1 4.45Å; L38-L77 HydrophobicContact CD1-CD2 3.27Å; L38-F194 HydrophobicContact CB-CD2 4.39Å; L38-F194 HydrophobicContact CB-CE2 4.5Å; L38-F194 HydrophobicContact CD1-CB 4.36Å; L38-F194 HydrophobicContact CD1-CG 4.39Å; L38-F194 HydrophobicContact CD2-CD1 4.09Å; L38-F194 HydrophobicContact CD2-CD2 4.07Å; L38-F194 HydrophobicContact CD2-CE1 4.04Å; L38-F194 HydrophobicContact CD2-CE2 4Å; L38-F194 HydrophobicContact CD2-CG 4.09Å; L38-F194 HydrophobicContact CD2-CZ 3.97Å
39Q91Very high83.5Confident7 Ų746.3 Ų46.33%0.03323%0.226CC..Hα-helixtrans-61.5-44.8173175.954.830.800111.1H35 E36 F41 C42 A43 H50 F110H35-Q39 WeakPolarHBondContact O-CB 3.46Å; H35-Q39 PolarHBondContact O-N 2.65Å; E36-Q39 PolarHBondContact O-N 2.84Å; Q39-F41 VanDerWaalsContact C-N 3.32Å; Q39-F41 PolarHBondContact O-N 3.35Å; Q39-C42 PolarHBondContact O-N 3.39Å; Q39-A43 PolarHBondContact O-N 3.21Å; Q39-H50 PolarHBondContact NE2-ND1 3.21Å; Q39-F110 HydrophobicContact CB-CE1 4.12Å; Q39-F110 HydrophobicContact CB-CZ 3.75Å; Q39-F110 HydrophobicContact CG-CZ 4.07Å
40E86.5Confident84.2Confident68 Ų6837.6 Ų37.632%0.31819%0.189SC..Hα-helixtrans-61-41.7176.1-168.7-175175.200111.5E36 L38 A43 T44 K323E36-E40 WeakPolarHBondContact O-CB 3.37Å; E36-E40 PolarHBondContact O-N 3.01Å; L38-E40 VanDerWaalsContact C-N 3.35Å; E40-A43 PolarHBondContact O-N 2.97Å; E40-T44 VanDerWaalsContact O-CB 3.22Å; E40-T44 WeakPolarHBondContact O-CB 3Å; E40-T44 PolarHBondContact O-N 3.21Å; E40-T44 PolarHBondContact O-OG1 3.49Å; E40-K323 HydrophobicContact CG-CB 4.35Å; E40-K323 HydrophobicContact CG-CD 3.78Å; E40-K323 HydrophobicContact CG-CG 4.07Å; E40-K323 WeakPolarHBondContact OE1-CE 3.33Å; E40-K323 IonicContact OE1-NZ 3.68Å; E40-K323 PolarHBondContact OE1-NZ 2.73Å; E40-K323 VanDerWaalsContact OE1-NZ 3.17Å
41F90Very high85.2Confident21 Ų2137.3 Ų37.39%0.09219%0.187CC..Hα-helixtrans-57.8-49.9173.8-178.9-79.9000111.2V22 P28 C37 L38 Q39 A43 T44 E45 F46 F194V22-F41 HydrophobicContact CB-CE1 4.34Å; V22-F41 HydrophobicContact CG1-CE1 3.71Å; V22-F41 HydrophobicContact CG1-CZ 3.72Å; V22-F41 HydrophobicContact CG2-CE1 3.96Å; P28-F41 HydrophobicContact CG-CD2 4.3Å; C37-F41 PolarHBondContact O-N 2.71Å; L38-F41 WeakPolarHBondContact O-CB 3.44Å; L38-F41 PolarHBondContact O-N 2.9Å; Q39-F41 VanDerWaalsContact C-N 3.32Å; Q39-F41 PolarHBondContact O-N 3.35Å; F41-A43 PolarHBondContact O-N 3.29Å; F41-T44 PolarHBondContact O-N 3.37Å; F41-E45 HydrophobicContact CD1-CB 4.35Å; F41-E45 HydrophobicContact CD1-CG 3.99Å; F41-E45 HydrophobicContact CD2-CG 4.22Å; F41-E45 HydrophobicContact CE1-CB 4.03Å; F41-E45 HydrophobicContact CE1-CG 3.6Å; F41-E45 HydrophobicContact CE2-CG 3.88Å; F41-E45 HydrophobicContact CG-CG 4.3Å; F41-E45 HydrophobicContact CZ-CB 4.45Å; F41-E45 HydrophobicContact CZ-CG 3.57Å; F41-E45 WeakPolarHBondContact O-CB 3.36Å; F41-E45 PolarHBondContact O-N 2.96Å; F41-F46 HydrophobicContact CE1-CE2 4.33Å; F41-F194 AromaticContact CD1-CE2 3.71Å; F41-F194 HydrophobicContact CD1-CE2 3.71Å; F41-F194 AromaticContact CD1-CZ 3.46Å; F41-F194 HydrophobicContact CD1-CZ 3.46Å; F41-F194 VanDerWaalsContact CD1-CZ 3.46Å; F41-F194 HydrophobicContact CE1-CE2 4.21Å; F41-F194 AromaticContact CE1-CZ 3.67Å; F41-F194 HydrophobicContact CE1-CZ 3.67Å; F41-F194 HydrophobicContact CG-CE2 4.35Å; F41-F194 AromaticContact CG-CZ 3.97Å; F41-F194 HydrophobicContact CG-CZ 3.97Å; F41-F194 HydrophobicContact CZ-CZ 4.3Å
42C90.4Very high86.3Confident0 Ų035.6 Ų35.60%016%0.162CC..Hα-helixtrans-60.2-46.2-179.3-68.40000111.5L38 Q39 T44 F46 G49 C196L38-C42 PolarHBondContact O-N 3.29Å; L38-C42 PolarHBondContact O-SG 2.73Å; L38-C42 VanDerWaalsContact O-SG 3.4Å; Q39-C42 PolarHBondContact O-N 3.39Å; C42-T44 VanDerWaalsContact C-N 3.27Å; C42-T44 PolarHBondContact O-N 2.8Å; C42-F46 PolarHBondContact O-N 2.02Å; C42-G49 CarbonylContact C-O 3.59Å; C42-C196 WeakPolarHBondContact CA-SG 3.49Å; C42-C196 HydrophobicContact CB-CB 3.69Å; C42-C196 WeakPolarHBondContact CB-SG 3.07Å; C42-C196 VanDerWaalsContact SG-CA 3.53Å; C42-C196 WeakPolarHBondContact SG-CB 3.31Å; C42-C196 CovalentContact SG-SG 2.04Å; C42-C196 PolarHBondContact SG-SG 2.97Å
43A85.3Confident87.5Confident3 Ų328.4 Ų28.43%0.02514%0.137CC..Hα-helixtrans-63.8-31.6178.500000112.9Q39 E40 F41 G49 K323 L331Q39-A43 PolarHBondContact O-N 3.21Å; E40-A43 PolarHBondContact O-N 2.97Å; F41-A43 PolarHBondContact O-N 3.29Å; A43-G49 WeakPolarHBondContact CA-O 3Å; A43-G49 PolarHBondContact N-O 2.91Å; A43-K323 HydrophobicContact CB-CB 4.5Å; A43-L331 HydrophobicContact CB-CD2 4.17Å
44T82Confident87.9Confident21 Ų2122.3 Ų22.313%0.12911%0.113CC..Hα-helixtrans-85.4-35.2-176.6-570000112.9E40 F41 C42 R314 K323E40-T44 VanDerWaalsContact O-CB 3.22Å; E40-T44 WeakPolarHBondContact O-CB 3Å; E40-T44 PolarHBondContact O-N 3.21Å; E40-T44 PolarHBondContact O-OG1 3.49Å; F41-T44 PolarHBondContact O-N 3.37Å; C42-T44 VanDerWaalsContact C-N 3.27Å; C42-T44 PolarHBondContact O-N 2.8Å; T44-R314 HydrophobicContact CG2-CB 4.49Å; T44-R314 HydrophobicContact CG2-CG 3.43Å; T44-R314 VanDerWaalsContact CG2-CG 3.43Å; T44-R314 PolarHBondContact O-NE 2.79Å; T44-R314 PolarHBondContact O-NH2 2.77Å; T44-R314 VanDerWaalsContact O-NH2 3.16Å; T44-K323 PolarHBondContact OG1-NZ 2.85Å
45E84.1Confident87.7Confident30 Ų3023.3 Ų23.314%0.1412%0.118CC..Hα-helixtrans-86.6-29.1-178.2-73.5-60.5118.200113.1F41 K234F41-E45 HydrophobicContact CD1-CB 4.35Å; F41-E45 HydrophobicContact CD1-CG 3.99Å; F41-E45 HydrophobicContact CD2-CG 4.22Å; F41-E45 HydrophobicContact CE1-CB 4.03Å; F41-E45 HydrophobicContact CE1-CG 3.6Å; F41-E45 HydrophobicContact CE2-CG 3.88Å; F41-E45 HydrophobicContact CG-CG 4.3Å; F41-E45 HydrophobicContact CZ-CB 4.45Å; F41-E45 HydrophobicContact CZ-CG 3.57Å; F41-E45 WeakPolarHBondContact O-CB 3.36Å; F41-E45 PolarHBondContact O-N 2.96Å; E45-K234 IonicContact OE1-NZ 3.16Å; E45-K234 PolarHBondContact OE1-NZ 3.43Å; E45-K234 IonicContact OE2-NZ 3.8Å; E45-K234 PolarHBondContact OE2-NZ 3.1Å
46F84.1Confident87.4Confident5 Ų525.2 Ų25.22%0.02213%0.131CC..SBendtrans-128.8133.9-176.3-51-87.1000110.7Y8 S20 V22 F41 C42 E48 G49 C196 H198 Q235Y8-F46 HydrophobicContact CD2-CE1 4.14Å; Y8-F46 AromaticContact CD2-CZ 3.61Å; Y8-F46 HydrophobicContact CD2-CZ 3.61Å; Y8-F46 HydrophobicContact CE2-CZ 4.07Å; S20-F46 WeakPolarHBondContact OG-CE1 3.16Å; V22-F46 HydrophobicContact CG2-CE2 4.09Å; V22-F46 HydrophobicContact CG2-CZ 4.13Å; F41-F46 HydrophobicContact CE1-CE2 4.33Å; C42-F46 PolarHBondContact O-N 2.02Å; F46-E48 PolarHBondContact O-N 3.43Å; F46-G49 PolarHBondContact O-N 3Å; F46-C196 HydrophobicContact CD2-CB 3.64Å; F46-C196 HydrophobicContact CE2-CB 3.65Å; F46-C196 HydrophobicContact CG-CB 4.5Å; F46-C196 HydrophobicContact CZ-CB 4.5Å; F46-H198 HydrophobicContact CB-CB 3.49Å; F46-H198 VanDerWaalsContact CB-CB 3.49Å; F46-H198 AromaticContact CD1-CD2 3.4Å; F46-H198 WeakPolarHBondContact CD1-CD2 3.31Å; F46-H198 AromaticContact CD1-CE1 3.7Å; F46-H198 AromaticContact CD1-CG 3.79Å; F46-H198 AromaticContact CD1-ND1 3.95Å; F46-H198 AromaticContact CD1-NE2 3.36Å; F46-H198 WeakPolarHBondContact CD1-NE2 3.37Å; F46-H198 AromaticContact CE1-CD2 3.95Å; F46-H198 AromaticContact CE1-NE2 3.61Å; F46-H198 HydrophobicContact CG-CB 4.24Å; F46-H198 AromaticContact CG-CD2 3.6Å; F46-H198 AromaticContact CG-CG 3.85Å; F46-Q235 HydrophobicContact CD1-CG 4.03Å; F46-Q235 HydrophobicContact CE1-CG 3.95Å
47S76.3Confident87.1Confident43 Ų4328 Ų2830%0.30114%0.142SC..THydrogen-bonded Turntrans-60.9125.3175.4-178.30000110.1G49 N199S47-G49 PolarHBondContact O-N 2.91Å; S47-N199 PolarHBondContact O-N 3.35Å
48E80Confident86.8Confident50 Ų5028.9 Ų28.923%0.23415%0.145CC..THydrogen-bonded Turntrans5437.7-173.8-61.9171.3-148.400112.1F46 H50 N199 K303 V325F46-E48 PolarHBondContact O-N 3.43Å; E48-H50 PolarHBondContact O-CD2 3.3Å; E48-N199 PolarHBondContact OE2-ND2 2.99Å; E48-K303 IonicContact OE1-NZ 3.35Å; E48-K303 PolarHBondContact OE1-NZ 3.06Å; E48-V325 HydrophobicContact CG-CG1 4.14Å
49G88.6Confident86.5Confident0 Ų029 Ų290%015%0.146CC..  trans-79.3132.6-178.200000113C42 A43 F46 S47 E197C42-G49 CarbonylContact C-O 3.59Å; A43-G49 WeakPolarHBondContact CA-O 3Å; A43-G49 PolarHBondContact N-O 2.91Å; F46-G49 PolarHBondContact O-N 3Å; S47-G49 PolarHBondContact O-N 2.91Å; G49-E197 CarbonylContact C-O 3.57Å; G49-E197 VanDerWaalsContact CA-O 3.31Å; G49-E197 WeakPolarHBondContact CA-O 3.4Å
50H91.7Very high86Confident35 Ų3532.1 Ų32.116%0.16217%0.173CC..EExtended strand (participates in β ladder)trans-131.8148.3176.2-58.2-90000111.2Q39 E48 M52 G112 K113 C196 E197Q39-H50 PolarHBondContact NE2-ND1 3.21Å; E48-H50 PolarHBondContact O-CD2 3.3Å; H50-M52 PolarHBondContact O-N 3.34Å; H50-G112 PolarHBondContact ND1-O 2.03Å; H50-K113 HydrophobicContact CB-CG 4.04Å; H50-K113 VanDerWaalsContact CD2-CE 3.47Å; H50-K113 WeakPolarHBondContact CD2-CE 3.34Å; H50-C196 CarbonylContact O-C 3.35Å; H50-C196 VanDerWaalsContact O-CA 3.3Å; H50-C196 WeakPolarHBondContact O-CA 3.08Å; H50-E197 PolarHBondContact N-O 3.27Å; H50-E197 PolarHBondContact O-N 3.34Å
51L93.2Very high85.7Confident3 Ų334.4 Ų34.42%0.01618%0.182CC..EExtended strand (participates in β ladder)trans-62.4117.1171.7-171.865.5000109.2L38 F110 F194L38-L51 HydrophobicContact CB-CD1 3.95Å; L38-L51 HydrophobicContact CB-CD2 4.2Å; L38-L51 HydrophobicContact CD1-CD1 4.45Å; L51-F110 HydrophobicContact CD2-CE1 4.41Å; L51-F194 HydrophobicContact CD1-CB 4.35Å; L51-F194 HydrophobicContact CD1-CD2 3.83Å
52M93.3Very high85.3Confident27 Ų2734.1 Ų34.113%0.13318%0.181CC..  trans-78.8138.9-173.9-17559.9179.300111V19 H50 W54 G79 A195 E197V19-M52 HydrophobicContact CG1-CG 4.4Å; V19-M52 HydrophobicContact CG2-CG 4.43Å; H50-M52 PolarHBondContact O-N 3.34Å; M52-W54 HydrophobicContact CB-CH2 4.19Å; M52-W54 HydrophobicContact CB-CZ2 4.25Å; M52-W54 HydrophobicContact CG-CD2 4.26Å; M52-W54 HydrophobicContact CG-CH2 3.84Å; M52-W54 HydrophobicContact CG-CZ2 3.43Å; M52-W54 VanDerWaalsContact CG-CZ2 3.43Å; M52-W54 HydrophobicContact CG-CZ3 4.35Å; M52-G79 VanDerWaalsContact O-CA 3.22Å; M52-G79 WeakPolarHBondContact O-CA 3.36Å; M52-G79 PolarHBondContact O-N 3.11Å; M52-A195 HydrophobicContact CB-CB 3.81Å; M52-A195 WeakPolarHBondContact CB-O 3.29Å; M52-A195 HydrophobicContact CG-CB 4.49Å; M52-A195 PolarHBondContact N-O 2.6Å; M52-E197 HydrophobicContact CB-CB 4.21Å; M52-E197 HydrophobicContact CG-CB 4.38Å; M52-E197 HydrophobicContact SD-CB 3.68Å; M52-E197 HydrophobicContact SD-CG 4.2Å
53H92.5Very high84.3Confident46 Ų4641.8 Ų41.821%0.21321%0.214CC..  trans-128159.6172.969.559.9000110.9N78 R80H53-N78 WeakPolarHBondContact CA-OD1 3.31Å; H53-N78 WeakPolarHBondContact CB-OD1 3.45Å; H53-R80 HydrophobicContact CB-CB 3.81Å
54W89.2Confident83.6Confident7 Ų748.4 Ų48.43%0.02725%0.25CC..  trans-136.3139.2175.8-57.8-92.8000110Y11 V19 F21 M52 L59 I62 I76 N78 A168 A195Y11-W54 PolarHBondContact OH-NE1 2.87Å; Y11-W54 VanDerWaalsContact OH-NE1 3.1Å; V19-W54 HydrophobicContact CG1-CZ2 4.32Å; F21-W54 HydrophobicContact CE1-CH2 4.25Å; F21-W54 HydrophobicContact CE1-CZ2 4.42Å; M52-W54 HydrophobicContact CB-CH2 4.19Å; M52-W54 HydrophobicContact CB-CZ2 4.25Å; M52-W54 HydrophobicContact CG-CD2 4.26Å; M52-W54 HydrophobicContact CG-CH2 3.84Å; M52-W54 HydrophobicContact CG-CZ2 3.43Å; M52-W54 VanDerWaalsContact CG-CZ2 3.43Å; M52-W54 HydrophobicContact CG-CZ3 4.35Å; W54-L59 HydrophobicContact CB-CD2 3.69Å; W54-L59 HydrophobicContact CB-CG 4.33Å; W54-L59 HydrophobicContact CD2-CD2 4.32Å; W54-L59 HydrophobicContact CG-CD2 3.89Å; W54-I62 HydrophobicContact CD2-CD1 4.35Å; W54-I62 HydrophobicContact CG-CD1 4.43Å; W54-I62 HydrophobicContact CZ2-CD1 4.21Å; W54-I76 HydrophobicContact CH2-CG2 3.96Å; W54-I76 HydrophobicContact CZ3-CG2 4.04Å; W54-N78 PolarHBondContact N-OD1 2.98Å; W54-N78 VanDerWaalsContact N-OD1 3.12Å; W54-N78 PolarHBondContact O-ND2 3.29Å; W54-A168 HydrophobicContact CE3-CB 4.44Å; W54-A195 HydrophobicContact CH2-CB 3.39Å; W54-A195 HydrophobicContact CZ2-CB 4.13Å; W54-A195 HydrophobicContact CZ3-CB 4.25Å
55D85Confident83.2Confident26 Ų2647.9 Ų47.914%0.13925%0.246CC..  trans-78.9154.3158.9-67.4-34.9000108.9K57 D58 R80 D143D55-K57 HydrophobicContact CB-CG 4.14Å; D55-K57 PolarHBondContact O-N 2.95Å; D55-K57 VanDerWaalsContact O-N 3.07Å; D55-D58 WeakPolarHBondContact O-CB 3.47Å; D55-D58 PolarHBondContact O-N 2.73Å; D55-R80 IonicContact OD1-NH1 3.39Å; D55-R80 PolarHBondContact OD1-NH1 2.74Å; D55-D143 HydrophobicContact CB-CB 4.47Å
56P82.4Confident82.8Confident45 Ų4549.1 Ų49.129%0.29226%0.262SS..G310 helixtrans-51.1-37.3-178.1-28.434.1000113.8D58 L59 D143 V180P56-D58 PolarHBondContact O-N 2.72Å; P56-L59 PolarHBondContact O-N 3.4Å; P56-D143 VanDerWaalsContact CD-O 3.22Å; P56-D143 WeakPolarHBondContact CD-O 3.39Å; P56-D143 WeakPolarHBondContact CG-O 3.25Å; P56-V180 HydrophobicContact CB-CG2 4.23Å; P56-V180 HydrophobicContact CG-CG2 4Å
57K81.5Confident82.2Confident128 Ų12850 Ų5056%0.55727%0.266SS*.G310 helixtrans-64.5-23.7177.467.7-171.4179.8-168.30114.2D55 D143D55-K57 HydrophobicContact CB-CG 4.14Å; D55-K57 PolarHBondContact O-N 2.95Å; D55-K57 VanDerWaalsContact O-N 3.07Å; K57-D143 IonicContact NZ-OD2 2.79Å; K57-D143 PolarHBondContact NZ-OD2 3.07Å
58D84Confident81.7Confident42 Ų4252.3 Ų52.323%0.22528%0.275CS..G310 helixtrans-90.2-16.5-176.8-65.1-46000113D55 P56 A60 K61D55-D58 WeakPolarHBondContact O-CB 3.47Å; D55-D58 PolarHBondContact O-N 2.73Å; P56-D58 PolarHBondContact O-N 2.72Å; D58-A60 VanDerWaalsContact C-N 3.25Å; D58-A60 PolarHBondContact O-N 3.06Å; D58-K61 HydrophobicContact CB-CD 4.45Å; D58-K61 VanDerWaalsContact O-CB 3.24Å; D58-K61 WeakPolarHBondContact O-CB 3.24Å; D58-K61 PolarHBondContact O-N 3.49Å; D58-K61 WeakPolarHBondContact OD1-CE 3.45Å; D58-K61 IonicContact OD1-NZ 3.84Å; D58-K61 PolarHBondContact OD1-NZ 2.72Å
59L85.1Confident81.1Confident3 Ų357.4 Ų57.42%0.01630%0.297CS..G310 helixtrans-61.4-33.6-178.4-70.2-178.4000113.2W54 P56 K61 I62 A168 P178 R179 V180W54-L59 HydrophobicContact CB-CD2 3.69Å; W54-L59 HydrophobicContact CB-CG 4.33Å; W54-L59 HydrophobicContact CD2-CD2 4.32Å; W54-L59 HydrophobicContact CG-CD2 3.89Å; P56-L59 PolarHBondContact O-N 3.4Å; L59-K61 PolarHBondContact O-N 2.93Å; L59-K61 VanDerWaalsContact O-N 3.11Å; L59-I62 HydrophobicContact CD2-CD1 3.86Å; L59-I62 WeakPolarHBondContact O-CB 3.03Å; L59-I62 PolarHBondContact O-N 3.21Å; L59-I62 VanDerWaalsContact O-N 3.08Å; L59-A168 HydrophobicContact CD1-CB 4.42Å; L59-A168 HydrophobicContact CD2-CB 3.6Å; L59-P178 HydrophobicContact CB-CB 3.93Å; L59-P178 HydrophobicContact CD1-CB 4.47Å; L59-R179 VanDerWaalsContact CD1-C 3.49Å; L59-V180 HydrophobicContact CD1-CG2 3.49Å; L59-V180 VanDerWaalsContact CD1-CG2 3.49Å; L59-V180 HydrophobicContact CG-CG2 4.43Å
60A80.5Confident80.2Confident72 Ų7261.4 Ų61.460%0.59531%0.312SS*.G310 helixtrans-63.8-14.7176.700000113.2D58 I62D58-A60 VanDerWaalsContact C-N 3.25Å; D58-A60 PolarHBondContact O-N 3.06Å; A60-I62 VanDerWaalsContact C-N 3.34Å
61K79.9Confident79.5Confident115 Ų11565.8 Ų65.850%0.533%0.33SS..G310 helixtrans-81.6-14177-57.6173.1-179.71670112.6D58 L59 K63D58-K61 HydrophobicContact CB-CD 4.45Å; D58-K61 VanDerWaalsContact O-CB 3.24Å; D58-K61 WeakPolarHBondContact O-CB 3.24Å; D58-K61 PolarHBondContact O-N 3.49Å; D58-K61 WeakPolarHBondContact OD1-CE 3.45Å; D58-K61 IonicContact OD1-NZ 3.84Å; D58-K61 PolarHBondContact OD1-NZ 2.72Å; L59-K61 PolarHBondContact O-N 2.93Å; L59-K61 VanDerWaalsContact O-N 3.11Å; K61-K63 PolarHBondContact O-N 3.15Å; K61-K63 VanDerWaalsContact O-N 3.14Å
62I81.5Confident79Confident16 Ų1671.7 Ų71.78%0.08236%0.358CS..  trans-77.1100177.4-53171000107.9Y11 W54 L59 A60 P65 L170Y11-I62 HydrophobicContact CD1-CG2 4.12Å; Y11-I62 HydrophobicContact CE1-CG1 4.39Å; Y11-I62 HydrophobicContact CE1-CG2 3.93Å; W54-I62 HydrophobicContact CD2-CD1 4.35Å; W54-I62 HydrophobicContact CG-CD1 4.43Å; W54-I62 HydrophobicContact CZ2-CD1 4.21Å; L59-I62 HydrophobicContact CD2-CD1 3.86Å; L59-I62 WeakPolarHBondContact O-CB 3.03Å; L59-I62 PolarHBondContact O-N 3.21Å; L59-I62 VanDerWaalsContact O-N 3.08Å; A60-I62 VanDerWaalsContact C-N 3.34Å; I62-P65 HydrophobicContact CG2-CB 4.37Å; I62-P65 HydrophobicContact CG2-CG 4.26Å; I62-L170 HydrophobicContact CD1-CD2 4.04Å; I62-L170 HydrophobicContact CG2-CD1 3.89Å
63K70Confident78.7Confident160 Ų16072.4 Ų72.470%0.69637%0.368SS*.  trans-104.8132.4178.6-64.8-170.7177.8-172.10110.6K61K61-K63 PolarHBondContact O-N 3.15Å; K61-K63 VanDerWaalsContact O-N 3.14Å
64D70.1Confident78.6Confident143 Ų14370.2 Ų70.277%0.76536%0.358SS*.SBendtrans41.256.9170.7-56.9-36000115.1A66D64-A66 PolarHBondContact O-N 3.4Å
65P75.3Confident78.8Confident9 Ų972.4 Ų72.46%0.05837%0.367CS..  trans-64.5124.1-179.226.8-34000111.5F21 I62 M67 W70 L170F21-P65 HydrophobicContact CD2-CB 4.29Å; F21-P65 HydrophobicContact CE2-CB 3.42Å; F21-P65 VanDerWaalsContact CE2-CB 3.42Å; F21-P65 HydrophobicContact CZ-CB 4.15Å; I62-P65 HydrophobicContact CG2-CB 4.37Å; I62-P65 HydrophobicContact CG2-CG 4.26Å; P65-M67 PolarHBondContact O-N 2.82Å; P65-W70 HydrophobicContact CG-CH2 4.09Å; P65-W70 HydrophobicContact CG-CZ2 3.71Å; P65-W70 WeakPolarHBondContact O-CH2 3.48Å; P65-W70 WeakPolarHBondContact O-CZ2 3.06Å; P65-W70 WeakPolarHBondContact O-CZ3 3.27Å; P65-L170 HydrophobicContact CG-CD1 3.94Å
66A74.5Confident79.2Confident56 Ų5671.2 Ų71.246%0.46336%0.361SS..  trans-69.7129.6172.300000109.6G9 G10 D64G9-A66 CarbonylContact C-O 3.56Å; G9-A66 WeakPolarHBondContact CA-O 3.24Å; G10-A66 PolarHBondContact N-O 3.3Å; G10-A66 PolarHBondContact O-N 3.03Å; D64-A66 PolarHBondContact O-N 3.4Å
67M72.7Confident79.8Confident23 Ų2369 Ų6911%0.11335%0.347CS..  trans-136.5136.5-177.6-67.3-107.1-7200110.2F21 P65 K69 W70 V74 Y193F21-M67 HydrophobicContact CB-SD 4.03Å; F21-M67 HydrophobicContact CD2-CG 4.31Å; F21-M67 HydrophobicContact CD2-SD 3.75Å; F21-M67 HydrophobicContact CE2-SD 4.49Å; F21-M67 HydrophobicContact CG-SD 3.99Å; P65-M67 PolarHBondContact O-N 2.82Å; M67-K69 VanDerWaalsContact C-N 3.27Å; M67-K69 PolarHBondContact O-N 3.38Å; M67-W70 HydrophobicContact CB-CB 4.35Å; M67-W70 HydrophobicContact CB-CD2 4.18Å; M67-W70 HydrophobicContact CB-CE3 4.45Å; M67-W70 HydrophobicContact CB-CG 4.14Å; M67-W70 HydrophobicContact CG-CD2 4.36Å; M67-V74 HydrophobicContact CE-CB 3.63Å; M67-V74 HydrophobicContact CE-CG1 3.46Å; M67-V74 VanDerWaalsContact CE-CG1 3.46Å; M67-V74 HydrophobicContact CE-CG2 3.24Å; M67-Y193 HydrophobicContact CE-CD2 4.09Å; M67-Y193 HydrophobicContact CE-CE2 3.87Å
68D65.3Low80.4Confident92 Ų9263 Ų6349%0.49232%0.321SS..THydrogen-bonded Turntrans-60.8-36.7-179-69.7-10.7000112.8
69K67.8Low80.9Confident158 Ų15861 Ų6169%0.68731%0.31SS*.THydrogen-bonded Turntrans-137.580.8-178.9-66.6-173.5-179-179.90109.9M67 K71M67-K69 VanDerWaalsContact C-N 3.27Å; M67-K69 PolarHBondContact O-N 3.38Å; K69-K71 PolarHBondContact O-N 2.84Å
70W69.5Low81.3Confident84 Ų8461.6 Ų61.632%0.31831%0.312SS..  trans-75.1107.7177.8-135.8-30.1000110.6P65 M67 H172P65-W70 HydrophobicContact CG-CH2 4.09Å; P65-W70 HydrophobicContact CG-CZ2 3.71Å; P65-W70 WeakPolarHBondContact O-CH2 3.48Å; P65-W70 WeakPolarHBondContact O-CZ2 3.06Å; P65-W70 WeakPolarHBondContact O-CZ3 3.27Å; M67-W70 HydrophobicContact CB-CB 4.35Å; M67-W70 HydrophobicContact CB-CD2 4.18Å; M67-W70 HydrophobicContact CB-CE3 4.45Å; M67-W70 HydrophobicContact CB-CG 4.14Å; M67-W70 HydrophobicContact CG-CD2 4.36Å; W70-H172 AromaticContact CD1-ND1 3.93Å; W70-H172 AromaticContact CD2-ND1 3.31Å; W70-H172 VanDerWaalsContact CD2-ND1 3.31Å; W70-H172 AromaticContact CE2-ND1 3.55Å; W70-H172 AromaticContact CE3-CE1 3.97Å; W70-H172 AromaticContact CE3-ND1 3.6Å; W70-H172 HydrophobicContact CG-CB 4.36Å; W70-H172 AromaticContact CG-ND1 3.6Å; W70-H172 AromaticContact NE1-ND1 3.93Å
71K75.9Confident82Confident126 Ų12658.2 Ų58.255%0.54828%0.284SS..  trans-81.6173.1164.2-63.7177.9-173166.90109.6K69 A73 V74 D192K69-K71 PolarHBondContact O-N 2.84Å; K71-A73 PolarHBondContact O-N 3.38Å; K71-V74 HydrophobicContact CB-CG1 4.21Å; K71-D192 IonicContact NZ-OD1 3.18Å
72E82.7Confident82.7Confident128 Ų12852.7 Ų52.760%0.59826%0.26SS*.SBendtrans-56.6-37.5175.7-163.4-164.9150.400112.3Y171 H172 K176E72-Y171 WeakPolarHBondContact O-CA 3.19Å; E72-H172 PolarHBondContact O-N 2.84Å; E72-K176 IonicContact OE1-NZ 3.74Å; E72-K176 PolarHBondContact OE1-NZ 2.83Å
73A87.7Confident83.2Confident41 Ų4154.4 Ų54.434%0.33927%0.269SS..EExtended strand (participates in β ladder)trans-137.8144.3172.300000109.9K71 V169 L170 Y171K71-A73 PolarHBondContact O-N 3.38Å; A73-V169 HydrophobicContact CB-CG1 4.17Å; A73-L170 WeakPolarHBondContact CA-O 3.5Å; A73-Y171 HydrophobicContact CB-CD1 3.63Å; A73-Y171 HydrophobicContact CB-CE1 3.68Å
74V90.4Very high84.2Confident1 Ų150.8 Ų50.81%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-131.4139.1177.2-70.80000110.8M67 K71 V169 L170 Y193M67-V74 HydrophobicContact CE-CB 3.63Å; M67-V74 HydrophobicContact CE-CG1 3.46Å; M67-V74 VanDerWaalsContact CE-CG1 3.46Å; M67-V74 HydrophobicContact CE-CG2 3.24Å; K71-V74 HydrophobicContact CB-CG1 4.21Å; V74-V169 WeakPolarHBondContact O-CA 3.43Å; V74-L170 HydrophobicContact CG2-CB 3.9Å; V74-L170 WeakPolarHBondContact CG2-O 3.43Å; V74-L170 PolarHBondContact N-O 3.26Å; V74-L170 PolarHBondContact O-N 2.92Å; V74-Y193 HydrophobicContact CG1-CE2 4.35Å
75K93.2Very high85.4Confident52 Ų5247.9 Ų47.923%0.22624%0.235CC..EExtended strand (participates in β ladder)trans-97.4119.6177.4-61.4-172.3179-150.70110.1N167 V169 E181 D192 Y193K75-N167 HydrophobicContact CB-CB 4.32Å; K75-V169 HydrophobicContact CG-CG2 4.38Å; K75-E181 WeakPolarHBondContact CD-OE2 3.43Å; K75-E181 WeakPolarHBondContact CE-OE1 3.25Å; K75-E181 VanDerWaalsContact CE-OE2 3.29Å; K75-E181 WeakPolarHBondContact CE-OE2 3.39Å; K75-E181 VanDerWaalsContact NZ-CD 3.3Å; K75-E181 IonicContact NZ-OE1 2.69Å; K75-E181 PolarHBondContact NZ-OE1 3.15Å; K75-E181 IonicContact NZ-OE2 2.74Å; K75-E181 PolarHBondContact NZ-OE2 2.97Å; K75-D192 PolarHBondContact N-OD2 2.83Å; K75-D192 WeakPolarHBondContact O-CB 3.23Å; K75-D192 PolarHBondContact O-N 3.36Å; K75-Y193 PolarHBondContact O-N 3.16Å
76I93.6Very high86.2Confident1 Ų151.8 Ų51.81%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-110.8121.7179-49.7-175.7000107.6F21 W54 N78 N167 A168 L170 Y193 A195F21-I76 HydrophobicContact CD1-CD1 3.77Å; F21-I76 HydrophobicContact CD1-CG2 4.14Å; F21-I76 HydrophobicContact CE1-CD1 3.48Å; F21-I76 VanDerWaalsContact CE1-CD1 3.48Å; F21-I76 HydrophobicContact CE1-CG2 4.18Å; F21-I76 HydrophobicContact CG-CD1 4.5Å; F21-I76 HydrophobicContact CZ-CD1 3.99Å; W54-I76 HydrophobicContact CH2-CG2 3.96Å; W54-I76 HydrophobicContact CZ3-CG2 4.04Å; I76-N78 PolarHBondContact O-N 2.84Å; I76-N167 CarbonylContact O-C 3.49Å; I76-N167 VanDerWaalsContact O-CA 3.22Å; I76-N167 WeakPolarHBondContact O-CA 3.43Å; I76-A168 PolarHBondContact N-O 3.23Å; I76-A168 PolarHBondContact O-N 3.31Å; I76-L170 HydrophobicContact CD1-CD1 3.34Å; I76-L170 HydrophobicContact CD1-CG 3.66Å; I76-L170 HydrophobicContact CG1-CG 4.48Å; I76-Y193 CarbonylContact C-O 3.56Å; I76-Y193 VanDerWaalsContact CA-O 3.31Å; I76-Y193 WeakPolarHBondContact CA-O 3.38Å; I76-A195 HydrophobicContact CG2-CB 4.2Å
77L95.1Very high87.1Confident0 Ų053.7 Ų53.70%027%0.265CS..EExtended strand (participates in β ladder)trans-58.3126.1174.9179.367.3000109.6L38 C165 F191 Y193 F194L38-L77 HydrophobicContact CD1-CD2 3.27Å; L77-C165 HydrophobicContact CD1-CB 3.8Å; L77-F191 HydrophobicContact CB-CB 4.11Å; L77-F191 HydrophobicContact CB-CD1 4.03Å; L77-F191 HydrophobicContact CB-CD2 4.13Å; L77-F191 HydrophobicContact CB-CG 3.83Å; L77-F191 HydrophobicContact CD1-CD1 4.11Å; L77-F191 HydrophobicContact CD1-CE1 4.47Å; L77-F191 HydrophobicContact CD2-CD1 4.34Å; L77-F191 HydrophobicContact CD2-CE1 4.06Å; L77-F191 HydrophobicContact CD2-CZ 4.25Å; L77-F191 HydrophobicContact CG-CD1 4.39Å; L77-Y193 PolarHBondContact N-O 2.81Å; L77-F194 HydrophobicContact CB-CB 4.1Å; L77-F194 HydrophobicContact CD2-CB 4.42Å
78N94.2Very high88.1Confident0 Ų054.6 Ų54.60%027%0.274CS..  trans-78.4123.7169.9-164.5-29.1000108.6H53 W54 I76 R80 R166H53-N78 WeakPolarHBondContact CA-OD1 3.31Å; H53-N78 WeakPolarHBondContact CB-OD1 3.45Å; W54-N78 PolarHBondContact N-OD1 2.98Å; W54-N78 VanDerWaalsContact N-OD1 3.12Å; W54-N78 PolarHBondContact O-ND2 3.29Å; I76-N78 PolarHBondContact O-N 2.84Å; N78-R80 PolarHBondContact O-N 3.29Å; N78-R80 VanDerWaalsContact O-N 3.13Å; N78-R80 PolarHBondContact OD1-N 2.05Å; N78-R166 VanDerWaalsContact CB-O 3.25Å; N78-R166 WeakPolarHBondContact CB-O 3.36Å; N78-R166 PolarHBondContact N-O 3.07Å
79G94Very high89.4Confident0 Ų054.8 Ų54.80%028%0.278CS..SBendtrans-68.2-6.2-176.100000115.9M52M52-G79 VanDerWaalsContact O-CA 3.22Å; M52-G79 WeakPolarHBondContact O-CA 3.36Å; M52-G79 PolarHBondContact O-N 3.11Å
80R94Very high90.5Very high17 Ų1750.2 Ų50.26%0.06426%0.259CS..  trans-89.3109.8173-176.5164.6-169.5-168.91.5109.2H53 D55 N78 T109 F110 C111 F116 P117 V118 F144H53-R80 HydrophobicContact CB-CB 3.81Å; D55-R80 IonicContact OD1-NH1 3.39Å; D55-R80 PolarHBondContact OD1-NH1 2.74Å; N78-R80 PolarHBondContact O-N 3.29Å; N78-R80 VanDerWaalsContact O-N 3.13Å; N78-R80 PolarHBondContact OD1-N 2.05Å; R80-T109 HydrophobicContact CG-CG2 4.37Å; R80-F110 WeakPolarHBondContact CA-O 3.35Å; R80-C111 VanDerWaalsContact CG-SG 3.56Å; R80-F116 PolarHBondContact NH2-O 3.41Å; R80-P117 PolarHBondContact NH2-O 2.74Å; R80-V118 VanDerWaalsContact CZ-CG2 3.48Å; R80-V118 VanDerWaalsContact NH2-CG2 3.25Å; R80-F144 HydrophobicContact CB-CD2 4.21Å; R80-F144 HydrophobicContact CB-CE2 3.72Å; R80-F144 HydrophobicContact CB-CZ 4.09Å; R80-F144 HydrophobicContact CG-CD2 4.07Å; R80-F144 HydrophobicContact CG-CE1 4.43Å; R80-F144 HydrophobicContact CG-CE2 3.92Å; R80-F144 HydrophobicContact CG-CG 4.37Å; R80-F144 HydrophobicContact CG-CZ 4.12Å; R80-F144 VanDerWaalsContact O-CZ 3.22Å; R80-F144 WeakPolarHBondContact O-CZ 3.46Å
81I94.3Very high91.5Very high0 Ų054.2 Ų54.20%027%0.274CS..EExtended strand (participates in β ladder)trans-120.3131.8-169.3-69.5171.5000109H35 T109 F110 P163H35-I81 HydrophobicContact CB-CB 4.45Å; H35-I81 HydrophobicContact CB-CD1 3.41Å; H35-I81 VanDerWaalsContact CB-CD1 3.41Å; H35-I81 HydrophobicContact CB-CG1 4.47Å; H35-I81 HydrophobicContact CB-CG2 4.41Å; I81-T109 CarbonylContact O-C 3.53Å; I81-T109 VanDerWaalsContact O-CA 3.27Å; I81-T109 WeakPolarHBondContact O-CA 3.36Å; I81-F110 HydrophobicContact CB-CB 4.47Å; I81-F110 PolarHBondContact N-O 2.96Å; I81-F110 PolarHBondContact O-N 2.75Å; I81-P163 HydrophobicContact CG2-CB 3.93Å
82L94.4Very high92.2Very high0 Ų050.8 Ų50.80%026%0.257CS..EExtended strand (participates in β ladder)trans-82.7120.9178.9-46.5-176.5000108.1F107 T109 V118 F144 L162 P163 A164 L183L82-F107 HydrophobicContact CB-CB 4.29Å; L82-F107 HydrophobicContact CB-CD1 3.88Å; L82-F107 HydrophobicContact CB-CG 4.31Å; L82-F107 HydrophobicContact CD1-CB 4.43Å; L82-F107 HydrophobicContact CD1-CD1 3.83Å; L82-F107 HydrophobicContact CD1-CD2 4.28Å; L82-F107 HydrophobicContact CD1-CE1 4.07Å; L82-F107 HydrophobicContact CD1-CG 3.93Å; L82-F107 HydrophobicContact CD1-CZ 4.4Å; L82-F107 HydrophobicContact CD2-CB 3.96Å; L82-F107 HydrophobicContact CD2-CG 4.35Å; L82-F107 HydrophobicContact CG-CB 4.45Å; L82-F107 HydrophobicContact CG-CD1 4.35Å; L82-F107 HydrophobicContact CG-CG 4.42Å; L82-T109 HydrophobicContact CD2-CG2 3.62Å; L82-V118 HydrophobicContact CD2-CB 4.1Å; L82-V118 HydrophobicContact CD2-CG1 4.3Å; L82-V118 HydrophobicContact CD2-CG2 4.12Å; L82-F144 HydrophobicContact CD2-CD1 4.24Å; L82-F144 HydrophobicContact CD2-CE1 3.89Å; L82-F144 HydrophobicContact CG-CE1 4.39Å; L82-L162 HydrophobicContact CB-CD2 4.04Å; L82-P163 CarbonylContact O-C 3.55Å; L82-P163 WeakPolarHBondContact O-CA 3.43Å; L82-P163 WeakPolarHBondContact O-CB 3.39Å; L82-A164 HydrophobicContact CB-CB 4.23Å; L82-A164 PolarHBondContact N-O 3.01Å; L82-A164 PolarHBondContact O-N 3.43Å; L82-L183 HydrophobicContact CD1-CD1 3.82Å; L82-L183 HydrophobicContact CD1-CD2 3.86Å; L82-L183 HydrophobicContact CG-CD2 4.34Å
83I92.3Very high92.4Very high51 Ų5150.9 Ų50.926%0.26225%0.252SS..EExtended strand (participates in β ladder)trans-105.9-40.5-173.211.6170.4000112.4E108 F110 P163I83-E108 HydrophobicContact CD1-CG 4.02Å; I83-E108 HydrophobicContact CG1-CB 4.45Å; I83-E108 HydrophobicContact CG1-CG 4.31Å; I83-E108 WeakPolarHBondContact CG1-O 3.41Å; I83-E108 PolarHBondContact N-O 2.99Å; I83-F110 HydrophobicContact CD1-CB 3.8Å; I83-F110 HydrophobicContact CG1-CB 4.12Å; I83-P163 HydrophobicContact CG2-CB 4.05Å
84N92Very high92.2Very high85 Ų8549.2 Ų49.246%0.45524%0.239SC..EExtended strand (participates in β ladder)trans-137.8162.1-179.7-160.24000110.1F107 E108N84-F107 CarbonylContact O-C 3.59Å; N84-F107 WeakPolarHBondContact O-CA 3.42Å; N84-E108 HydrophobicContact CB-CB 3.98Å; N84-E108 PolarHBondContact O-N 3.35Å
85R94Very high91.6Very high82 Ų8251 Ų5131%0.30925%0.248SC..EExtended strand (participates in β ladder)trans-137.4146175.470.7175.5173.2-111.2-6.8112.5I105 N106 F107 E158 I160 L162R85-I105 HydrophobicContact CB-CG2 4.16Å; R85-N106 CarbonylContact C-O 3.57Å; R85-N106 VanDerWaalsContact CA-O 3.27Å; R85-N106 WeakPolarHBondContact CA-O 3.49Å; R85-F107 HydrophobicContact CB-CD1 3.62Å; R85-F107 HydrophobicContact CB-CE1 3.58Å; R85-F107 HydrophobicContact CB-CG 4.36Å; R85-F107 HydrophobicContact CB-CZ 4.27Å; R85-F107 HydrophobicContact CG-CE1 4.41Å; R85-E158 PolarHBondContact NE-O 2.99Å; R85-E158 PolarHBondContact NH1-O 3.2Å; R85-E158 PolarHBondContact NH2-O 2.99Å; R85-I160 PolarHBondContact NH1-O 2.97Å; R85-L162 HydrophobicContact CB-CD1 4.12Å; R85-L162 HydrophobicContact CG-CD1 3.94Å
86V93.5Very high91Very high91 Ų9157 Ų5755%0.55227%0.269SS*.EExtended strand (participates in β ladder)trans-130.5123173.2-178.40000108.9N106V86-N106 PolarHBondContact N-O 2.93Å; V86-N106 PolarHBondContact O-N 2.78Å
87T92.3Very high90.5Very high95 Ų9562.2 Ų62.258%0.58330%0.297SS*.EExtended strand (participates in β ladder)trans-91.6136.3173.653.90000110.2C104 I105T87-C104 CarbonylContact C-O 3.53Å; T87-C104 WeakPolarHBondContact CA-O 3.45Å; T87-I105 HydrophobicContact CG2-CG1 4.3Å
88S93.5Very high89.9Confident43 Ų4363.8 Ų63.830%0.30131%0.31SS..EExtended strand (participates in β ladder)trans-154.3156.7179.855.20000110.6C104S88-C104 PolarHBondContact N-O 2.81Å; S88-C104 WeakPolarHBondContact O-CA 3.45Å; S88-C104 WeakPolarHBondContact O-CB 3.32Å; S88-C104 PolarHBondContact O-N 2.75Å; S88-C104 VanDerWaalsContact O-O 3.14Å
89V92.6Very high89.6Confident95 Ų9570.2 Ų70.258%0.57633%0.334SS*.EExtended strand (participates in β ladder)trans-99.4126.3169.1-177.40000108.3N101 F102V89-N101 HydrophobicContact CG1-CB 3.85Å; V89-F102 CarbonylContact C-O 3.59Å; V89-F102 WeakPolarHBondContact CA-O 3.41Å
90Q90.7Very high89.3Confident62 Ų6271 Ų7129%0.2934%0.339SS..EExtended strand (participates in β ladder)trans-123.1133.8-179.7-61.3-166.81100111.9R92 F102 C104Q90-R92 HydrophobicContact CB-CG 4.38Å; Q90-R92 VanDerWaalsContact OE1-CZ 3.29Å; Q90-F102 PolarHBondContact N-O 2.92Å; Q90-F102 PolarHBondContact O-N 3.28Å; Q90-C104 HydrophobicContact CG-CB 4.31Å
91R91.7Very high89.1Confident168 Ų16874.4 Ų74.463%0.63436%0.358SS*.EExtended strand (participates in β ladder)trans-87.7111.7176.2-165.9166.7-179.6151.64109.8W99 T100 N101R91-W99 HydrophobicContact CG-CB 4.34Å; R91-W99 HydrophobicContact CG-CE3 3.98Å; R91-T100 WeakPolarHBondContact CA-O 3.37Å; R91-N101 WeakPolarHBondContact CB-OD1 3.3Å; R91-N101 WeakPolarHBondContact CG-OD1 3.28Å
92R90Very high88.9Confident54 Ų5474.4 Ų74.420%0.20436%0.358CS..EExtended strand (participates in β ladder)trans-129.6162.9-177.7-60.4-175.5178.5-168.61.1110.9Q90 G94 T100 F102 E119 F140Q90-R92 HydrophobicContact CB-CG 4.38Å; Q90-R92 VanDerWaalsContact OE1-CZ 3.29Å; R92-G94 PolarHBondContact O-N 2.95Å; R92-T100 PolarHBondContact N-O 3.26Å; R92-T100 PolarHBondContact O-N 3.04Å; R92-F102 HydrophobicContact CB-CD2 3.86Å; R92-F102 HydrophobicContact CB-CE2 4Å; R92-F102 HydrophobicContact CG-CD2 4.48Å; R92-E119 IonicContact CZ-OE1 3.04Å; R92-E119 IonicContact CZ-OE2 3.11Å; R92-E119 IonicContact NH1-OE1 2.67Å; R92-E119 PolarHBondContact NH1-OE1 3.32Å; R92-E119 IonicContact NH1-OE2 2.68Å; R92-E119 PolarHBondContact NH1-OE2 3.18Å; R92-E119 IonicContact NH2-OE1 3.69Å; R92-E119 IonicContact NH2-OE2 2.64Å; R92-E119 PolarHBondContact NH2-OE2 2.93Å; R92-F140 HydrophobicContact CB-CE2 4.25Å
93R87Confident88.7Confident130 Ų13078.3 Ų78.349%0.49138%0.379SS..EExtended strand (participates in β ladder)trans-73112.4171.6-69.9-76.6-174.7167.15.5108.2D97 W99 F140R93-D97 WeakPolarHBondContact CD-O 3.21Å; R93-D97 PolarHBondContact NH1-O 3.35Å; R93-W99 HydrophobicContact CG-CD2 4.5Å; R93-W99 HydrophobicContact CG-CE3 4.39Å; R93-W99 HydrophobicContact CG-CH2 4.28Å; R93-W99 HydrophobicContact CG-CZ2 4.36Å; R93-W99 HydrophobicContact CG-CZ3 4.3Å; R93-W99 VanDerWaalsContact CZ-NE1 3.3Å; R93-W99 VanDerWaalsContact NE-CE2 3.32Å; R93-F140 VanDerWaalsContact O-CZ 3.26Å; R93-F140 WeakPolarHBondContact O-CZ 3.38Å
94G82.6Confident88.7Confident7 Ų776 Ų767%0.07237%0.367CS..  trans-96.3-142.3179.100000112.4R92 D97 A98R92-G94 PolarHBondContact O-N 2.95Å; G94-D97 PolarHBondContact O-N 3.18Å; G94-A98 PolarHBondContact N-O 2.9Å
95Q78.5Confident88.8Confident38 Ų3872 Ų7218%0.17835%0.346CS..G310 helixtrans-59.6136.9177-160.2-172.6-17.100111D97 A98 W135 F138Q95-D97 PolarHBondContact O-N 3.1Å; Q95-A98 PolarHBondContact O-N 3.19Å; Q95-W135 HydrophobicContact CB-CE3 4.03Å; Q95-W135 HydrophobicContact CB-CZ3 3.89Å; Q95-W135 WeakPolarHBondContact O-CZ3 3.36Å; Q95-F138 HydrophobicContact CB-CD2 3.91Å; Q95-F138 HydrophobicContact CB-CE2 4.12Å; Q95-F138 HydrophobicContact CG-CD2 4.49Å
96R81.3Confident88.8Confident177 Ų17770 Ų7067%0.66834%0.341SS*.G310 helixtrans55.132.7-178.6-56.3176.6-177.7167.75.1113.8A98R96-A98 PolarHBondContact O-N 3.28Å; R96-A98 VanDerWaalsContact O-N 3.08Å
97D82.1Confident88.9Confident112 Ų11265.7 Ų65.760%0.59932%0.315SS*.G310 helixtrans58.618.9-178.4-59.8-51.9000114.5R93 G94 Q95R93-D97 WeakPolarHBondContact CD-O 3.21Å; R93-D97 PolarHBondContact NH1-O 3.35Å; G94-D97 PolarHBondContact O-N 3.18Å; Q95-D97 PolarHBondContact O-N 3.1Å
98A83.6Confident88.9Confident32 Ų3266.6 Ų66.626%0.26431%0.313SS..  trans-76.9137.6176.400000111.3G94 Q95 R96 T100 W135G94-A98 PolarHBondContact N-O 2.9Å; Q95-A98 PolarHBondContact O-N 3.19Å; R96-A98 PolarHBondContact O-N 3.28Å; R96-A98 VanDerWaalsContact O-N 3.08Å; A98-T100 PolarHBondContact O-N 2.78Å; A98-T100 VanDerWaalsContact O-N 3.16Å; A98-T100 PolarHBondContact O-OG1 2.92Å; A98-W135 HydrophobicContact CB-CH2 3.45Å; A98-W135 VanDerWaalsContact CB-CH2 3.45Å; A98-W135 HydrophobicContact CB-CZ2 4.49Å; A98-W135 HydrophobicContact CB-CZ3 4.01Å
99W88Confident88.9Confident136 Ų13665.6 Ų65.652%0.51531%0.305SS..EExtended strand (participates in β ladder)trans-67.4114.3173.2-73.8109.9000110.4R91 R93R91-W99 HydrophobicContact CG-CB 4.34Å; R91-W99 HydrophobicContact CG-CE3 3.98Å; R93-W99 HydrophobicContact CG-CD2 4.5Å; R93-W99 HydrophobicContact CG-CE3 4.39Å; R93-W99 HydrophobicContact CG-CH2 4.28Å; R93-W99 HydrophobicContact CG-CZ2 4.36Å; R93-W99 HydrophobicContact CG-CZ3 4.3Å; R93-W99 VanDerWaalsContact CZ-NE1 3.3Å; R93-W99 VanDerWaalsContact NE-CE2 3.32Å
100T86.9Confident88.9Confident17 Ų1762.3 Ų62.310%0.10428%0.283CS..EExtended strand (participates in β ladder)trans-124.4143.1-176.1-520000109R91 R92 A98 F102 W123R91-T100 WeakPolarHBondContact CA-O 3.37Å; R92-T100 PolarHBondContact N-O 3.26Å; R92-T100 PolarHBondContact O-N 3.04Å; A98-T100 PolarHBondContact O-N 2.78Å; A98-T100 VanDerWaalsContact O-N 3.16Å; A98-T100 PolarHBondContact O-OG1 2.92Å; T100-F102 HydrophobicContact CG2-CE2 4.08Å; T100-F102 HydrophobicContact CG2-CZ 4.23Å; T100-F102 WeakPolarHBondContact O-CD2 3.46Å; T100-W123 HydrophobicContact CG2-CB 4.13Å; T100-W123 VanDerWaalsContact CG2-CD1 3.4Å; T100-W123 HydrophobicContact CG2-CD2 3.71Å; T100-W123 HydrophobicContact CG2-CG 3.46Å; T100-W123 VanDerWaalsContact CG2-CG 3.46Å
101N89.4Confident88.9Confident88 Ų8860.2 Ų60.247%0.47128%0.275SS..EExtended strand (participates in β ladder)trans-86.6120.9173.4-69.5-21.3000108.5V89 R91 W123V89-N101 HydrophobicContact CG1-CB 3.85Å; R91-N101 WeakPolarHBondContact CB-OD1 3.3Å; R91-N101 WeakPolarHBondContact CG-OD1 3.28Å; N101-W123 VanDerWaalsContact O-CD1 3.26Å
102F90.3Very high88.5Confident0 Ų052.8 Ų52.80%025%0.25CS..EExtended strand (participates in β ladder)trans-104.9136.6178.6-71-93.1000110.2V89 Q90 R92 T100 C104 C121 S122 W123 F138 F140V89-F102 CarbonylContact C-O 3.59Å; V89-F102 WeakPolarHBondContact CA-O 3.41Å; Q90-F102 PolarHBondContact N-O 2.92Å; Q90-F102 PolarHBondContact O-N 3.28Å; R92-F102 HydrophobicContact CB-CD2 3.86Å; R92-F102 HydrophobicContact CB-CE2 4Å; R92-F102 HydrophobicContact CG-CD2 4.48Å; T100-F102 HydrophobicContact CG2-CE2 4.08Å; T100-F102 HydrophobicContact CG2-CZ 4.23Å; T100-F102 WeakPolarHBondContact O-CD2 3.46Å; F102-C104 PolarHBondContact O-N 3.22Å; F102-C121 HydrophobicContact CB-CB 4.04Å; F102-S122 WeakPolarHBondContact CA-O 3.27Å; F102-W123 HydrophobicContact CD1-CB 3.63Å; F102-W123 HydrophobicContact CE1-CB 3.54Å; F102-W123 HydrophobicContact CG-CB 4.37Å; F102-W123 HydrophobicContact CZ-CB 4.26Å; F102-F138 HydrophobicContact CE1-CB 4.05Å; F102-F138 AromaticContact CE1-CD1 3.64Å; F102-F138 HydrophobicContact CE1-CD1 3.64Å; F102-F138 HydrophobicContact CE1-CG 4.3Å; F102-F138 HydrophobicContact CZ-CB 4.36Å; F102-F138 AromaticContact CZ-CD1 3.6Å; F102-F138 HydrophobicContact CZ-CD1 3.6Å; F102-F138 HydrophobicContact CZ-CE1 4.36Å; F102-F138 HydrophobicContact CZ-CG 4.32Å; F102-F140 HydrophobicContact CD1-CD2 4.14Å; F102-F140 HydrophobicContact CD1-CE2 4.42Å; F102-F140 HydrophobicContact CD2-CE2 4.32Å; F102-F140 AromaticContact CE1-CD2 3.98Å; F102-F140 HydrophobicContact CE1-CD2 3.98Å; F102-F140 AromaticContact CE1-CE2 3.92Å; F102-F140 HydrophobicContact CE1-CE2 3.92Å; F102-F140 HydrophobicContact CE2-CD2 4.37Å; F102-F140 AromaticContact CE2-CE2 3.77Å; F102-F140 HydrophobicContact CE2-CE2 3.77Å; F102-F140 HydrophobicContact CG-CD2 4.45Å; F102-F140 HydrophobicContact CZ-CD2 4.11Å; F102-F140 AromaticContact CZ-CE2 3.58Å; F102-F140 HydrophobicContact CZ-CE2 3.58Å
103D91Very high88.1Confident81 Ų8154.3 Ų54.343%0.43326%0.258SS..EExtended strand (participates in β ladder)trans-80.4112.3168.1-66.3-42.4000108.1C121 S122 Q154D103-C121 VanDerWaalsContact O-CA 3.31Å; D103-C121 WeakPolarHBondContact O-CA 3.04Å; D103-S122 PolarHBondContact N-O 3.4Å; D103-S122 PolarHBondContact O-N 3.49Å; D103-S122 PolarHBondContact O-OG 2.83Å; D103-Q154 PolarHBondContact O-NE2 2.83Å; D103-Q154 VanDerWaalsContact O-NE2 3.09Å
104C92.2Very high87.8Confident3 Ų355.3 Ų55.32%0.0228%0.279CS..EExtended strand (participates in β ladder)trans-113.2134.2-172.6-68.10000111.7T87 S88 Q90 F102 H120 C121T87-C104 CarbonylContact C-O 3.53Å; T87-C104 WeakPolarHBondContact CA-O 3.45Å; S88-C104 PolarHBondContact N-O 2.81Å; S88-C104 WeakPolarHBondContact O-CA 3.45Å; S88-C104 WeakPolarHBondContact O-CB 3.32Å; S88-C104 PolarHBondContact O-N 2.75Å; S88-C104 VanDerWaalsContact O-O 3.14Å; Q90-C104 HydrophobicContact CG-CB 4.31Å; F102-C104 PolarHBondContact O-N 3.22Å; C104-H120 WeakPolarHBondContact CA-O 3.08Å; C104-C121 HydrophobicContact CB-CB 4.09Å; C104-C121 WeakPolarHBondContact CB-SG 3.5Å; C104-C121 WeakPolarHBondContact SG-CB 3.44Å; C104-C121 CovalentContact SG-SG 2.04Å; C104-C121 PolarHBondContact SG-SG 3.41Å
105I93.1Very high87.9Confident1 Ų156.4 Ų56.41%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-112.9117.6167.6-46.4178.6000107.4R85 T87 F107 E119 H120 Q154 L157 E158R85-I105 HydrophobicContact CB-CG2 4.16Å; T87-I105 HydrophobicContact CG2-CG1 4.3Å; I105-F107 HydrophobicContact CB-CE2 4.06Å; I105-F107 HydrophobicContact CG2-CD2 4.03Å; I105-F107 HydrophobicContact CG2-CE1 4.37Å; I105-F107 HydrophobicContact CG2-CE2 3.39Å; I105-F107 HydrophobicContact CG2-CZ 3.6Å; I105-E119 WeakPolarHBondContact O-CA 3.47Å; I105-H120 PolarHBondContact N-O 2.72Å; I105-H120 PolarHBondContact O-N 3.2Å; I105-Q154 HydrophobicContact CD1-CG 3.69Å; I105-Q154 HydrophobicContact CG1-CG 4.4Å; I105-L157 HydrophobicContact CD1-CB 3.95Å; I105-E158 HydrophobicContact CD1-CG 3.44Å; I105-E158 VanDerWaalsContact CD1-CG 3.44Å; I105-E158 HydrophobicContact CG1-CG 4.46Å
106N94.5Very high88.3Confident39 Ų3962.9 Ų62.921%0.20931%0.314CS..EExtended strand (participates in β ladder)trans-104.6125.3174.5-63.9-73.5000108.6R85 V86 E119R85-N106 CarbonylContact C-O 3.57Å; R85-N106 VanDerWaalsContact CA-O 3.27Å; R85-N106 WeakPolarHBondContact CA-O 3.49Å; V86-N106 PolarHBondContact N-O 2.93Å; V86-N106 PolarHBondContact O-N 2.78Å; N106-E119 WeakPolarHBondContact OD1-CB 3.45Å
107F95.1Very high88.7Confident2 Ų258.5 Ų58.51%0.00931%0.308CS..EExtended strand (participates in β ladder)trans-103.1128.3175.2-66.4-91000110.1L82 N84 R85 I105 V118 L157 I160 L162L82-F107 HydrophobicContact CB-CB 4.29Å; L82-F107 HydrophobicContact CB-CD1 3.88Å; L82-F107 HydrophobicContact CB-CG 4.31Å; L82-F107 HydrophobicContact CD1-CB 4.43Å; L82-F107 HydrophobicContact CD1-CD1 3.83Å; L82-F107 HydrophobicContact CD1-CD2 4.28Å; L82-F107 HydrophobicContact CD1-CE1 4.07Å; L82-F107 HydrophobicContact CD1-CG 3.93Å; L82-F107 HydrophobicContact CD1-CZ 4.4Å; L82-F107 HydrophobicContact CD2-CB 3.96Å; L82-F107 HydrophobicContact CD2-CG 4.35Å; L82-F107 HydrophobicContact CG-CB 4.45Å; L82-F107 HydrophobicContact CG-CD1 4.35Å; L82-F107 HydrophobicContact CG-CG 4.42Å; N84-F107 CarbonylContact O-C 3.59Å; N84-F107 WeakPolarHBondContact O-CA 3.42Å; R85-F107 HydrophobicContact CB-CD1 3.62Å; R85-F107 HydrophobicContact CB-CE1 3.58Å; R85-F107 HydrophobicContact CB-CG 4.36Å; R85-F107 HydrophobicContact CB-CZ 4.27Å; R85-F107 HydrophobicContact CG-CE1 4.41Å; I105-F107 HydrophobicContact CB-CE2 4.06Å; I105-F107 HydrophobicContact CG2-CD2 4.03Å; I105-F107 HydrophobicContact CG2-CE1 4.37Å; I105-F107 HydrophobicContact CG2-CE2 3.39Å; I105-F107 HydrophobicContact CG2-CZ 3.6Å; F107-V118 HydrophobicContact CB-CB 4.21Å; F107-V118 HydrophobicContact CD2-CG1 4.42Å; F107-V118 PolarHBondContact N-O 3.09Å; F107-V118 PolarHBondContact O-N 3.49Å; F107-L157 HydrophobicContact CE2-CB 4.34Å; F107-L157 HydrophobicContact CE2-CD2 4.25Å; F107-L157 HydrophobicContact CZ-CB 4.05Å; F107-L157 HydrophobicContact CZ-CD2 4.18Å; F107-I160 HydrophobicContact CE1-CG2 4.44Å; F107-L162 HydrophobicContact CD1-CD2 4.37Å; F107-L162 HydrophobicContact CE1-CD2 4.25Å
108E93.3Very high89.2Confident114 Ų11453.1 Ų53.153%0.53328%0.279SS..EExtended strand (participates in β ladder)trans-69139.4160-170.5176.2-170.300108.3I83 N84I83-E108 HydrophobicContact CD1-CG 4.02Å; I83-E108 HydrophobicContact CG1-CB 4.45Å; I83-E108 HydrophobicContact CG1-CG 4.31Å; I83-E108 WeakPolarHBondContact CG1-O 3.41Å; I83-E108 PolarHBondContact N-O 2.99Å; N84-E108 HydrophobicContact CB-CB 3.98Å; N84-E108 PolarHBondContact O-N 3.35Å
109T92.9Very high89.7Confident22 Ų2254 Ų5414%0.13528%0.278CS..EExtended strand (participates in β ladder)trans-125.3134.2-175.854.80000112.3R80 I81 L82 C115 F116 V118R80-T109 HydrophobicContact CG-CG2 4.37Å; I81-T109 CarbonylContact O-C 3.53Å; I81-T109 VanDerWaalsContact O-CA 3.27Å; I81-T109 WeakPolarHBondContact O-CA 3.36Å; L82-T109 HydrophobicContact CD2-CG2 3.62Å; T109-C115 PolarHBondContact OG1-SG 3.45Å; T109-F116 PolarHBondContact OG1-O 2.8Å; T109-F116 VanDerWaalsContact OG1-O 3.07Å; T109-V118 HydrophobicContact CG2-CB 3.93Å; T109-V118 HydrophobicContact CG2-CG2 3.52Å
110F92.7Very high89.9Confident26 Ų2647.5 Ų47.511%0.11425%0.253CS..EExtended strand (participates in β ladder)trans-89.6137.9164.2-179.7-88.7000109.5H35 E36 Q39 L51 R80 I81 I83H35-F110 HydrophobicContact CB-CD1 3.61Å; H35-F110 HydrophobicContact CB-CE1 3.87Å; H35-F110 HydrophobicContact CB-CG 4.18Å; H35-F110 AromaticContact CD2-CD1 3.69Å; H35-F110 AromaticContact CD2-CD2 3.5Å; H35-F110 VanDerWaalsContact CD2-CD2 3.5Å; H35-F110 WeakPolarHBondContact CD2-CD2 3.45Å; H35-F110 AromaticContact CD2-CE2 3.9Å; H35-F110 AromaticContact CD2-CG 3.37Å; H35-F110 WeakPolarHBondContact CD2-CG 3.48Å; H35-F110 AromaticContact CG-CD1 3.95Å; E36-F110 HydrophobicContact CG-CE2 4.43Å; Q39-F110 HydrophobicContact CB-CE1 4.12Å; Q39-F110 HydrophobicContact CB-CZ 3.75Å; Q39-F110 HydrophobicContact CG-CZ 4.07Å; L51-F110 HydrophobicContact CD2-CE1 4.41Å; R80-F110 WeakPolarHBondContact CA-O 3.35Å; I81-F110 HydrophobicContact CB-CB 4.47Å; I81-F110 PolarHBondContact N-O 2.96Å; I81-F110 PolarHBondContact O-N 2.75Å; I83-F110 HydrophobicContact CD1-CB 3.8Å; I83-F110 HydrophobicContact CG1-CB 4.12Å
111C91Very high90Very high18 Ų1846.7 Ų46.712%0.12225%0.248CC..  trans-145.2151.5172.2-68.80000108.6R80 K113 C115R80-C111 VanDerWaalsContact CG-SG 3.56Å; C111-K113 CarbonylContact C-O 3.26Å; C111-K113 WeakPolarHBondContact CB-O 2.99Å; C111-K113 PolarHBondContact O-N 2.84Å; C111-C115 HydrophobicContact CB-CB 3.66Å; C111-C115 WeakPolarHBondContact CB-SG 3.46Å; C111-C115 WeakPolarHBondContact SG-CB 2.91Å; C111-C115 CovalentContact SG-SG 2.02Å; C111-C115 PolarHBondContact SG-SG 2.03Å
112G82.4Confident90Very high11 Ų1142.5 Ų42.511%0.11323%0.226CC..SBendtrans-63.7-21.417500000113.7H50H50-G112 PolarHBondContact ND1-O 2.03Å
113K82.9Confident89.7Confident86 Ų8644.8 Ų44.837%0.37424%0.235SC..SBendtrans-125.9166170.5-69.8-177.2174.4176.90109.6H50 C111 C115 E197H50-K113 HydrophobicContact CB-CG 4.04Å; H50-K113 VanDerWaalsContact CD2-CE 3.47Å; H50-K113 WeakPolarHBondContact CD2-CE 3.34Å; C111-K113 CarbonylContact C-O 3.26Å; C111-K113 WeakPolarHBondContact CB-O 2.99Å; C111-K113 PolarHBondContact O-N 2.84Å; K113-C115 PolarHBondContact O-N 3.11Å; K113-E197 WeakPolarHBondContact CE-OE2 3.3Å; K113-E197 IonicContact NZ-OE2 3.08Å; K113-E197 PolarHBondContact NZ-OE2 2.87Å
114T80Confident89.2Confident151 Ų15143 Ų4393%0.92622%0.222SC*.  trans-55125.1176.6-36.60000111
115C85.8Confident88.5Confident31 Ų3143.9 Ų43.921%0.20923%0.227CC..  trans-135.6154.3175.369.20000110T109 C111 K113T109-C115 PolarHBondContact OG1-SG 3.45Å; C111-C115 HydrophobicContact CB-CB 3.66Å; C111-C115 WeakPolarHBondContact CB-SG 3.46Å; C111-C115 WeakPolarHBondContact SG-CB 2.91Å; C111-C115 CovalentContact SG-SG 2.02Å; C111-C115 PolarHBondContact SG-SG 2.03Å; K113-C115 PolarHBondContact O-N 3.11Å
116F86.6Confident87.6Confident174 Ų17447.9 Ų47.976%0.76325%0.249SC*.  trans-72.1154.8180-65.7-73.6000111.2R80 T109R80-F116 PolarHBondContact NH2-O 3.41Å; T109-F116 PolarHBondContact OG1-O 2.8Å; T109-F116 VanDerWaalsContact OG1-O 3.07Å
117P89Confident86.3Confident84 Ų8448.8 Ų48.855%0.54527%0.267SS..  trans-54.8159.2166.4-21.432.5000111.5R80R80-P117 PolarHBondContact NH2-O 2.74Å
118V93.5Very high84.8Confident0 Ų054.5 Ų54.50%030%0.297CS..EExtended strand (participates in β ladder)trans-108.6121.8177.6166.70000108.7R80 L82 F107 T109 F144 L145R80-V118 VanDerWaalsContact CZ-CG2 3.48Å; R80-V118 VanDerWaalsContact NH2-CG2 3.25Å; L82-V118 HydrophobicContact CD2-CB 4.1Å; L82-V118 HydrophobicContact CD2-CG1 4.3Å; L82-V118 HydrophobicContact CD2-CG2 4.12Å; F107-V118 HydrophobicContact CB-CB 4.21Å; F107-V118 HydrophobicContact CD2-CG1 4.42Å; F107-V118 PolarHBondContact N-O 3.09Å; F107-V118 PolarHBondContact O-N 3.49Å; T109-V118 HydrophobicContact CG2-CB 3.93Å; T109-V118 HydrophobicContact CG2-CG2 3.52Å; V118-F144 HydrophobicContact CG1-CD1 4.26Å; V118-F144 HydrophobicContact CG2-CB 3.95Å; V118-F144 HydrophobicContact CG2-CD1 3.83Å; V118-F144 HydrophobicContact CG2-CG 4.15Å; V118-L145 HydrophobicContact CG1-CD1 3.27Å; V118-L145 HydrophobicContact CG1-CD2 4.27Å; V118-L145 HydrophobicContact CG1-CG 3.44Å; V118-L145 VanDerWaalsContact CG1-CG 3.44Å
119E92.6Very high83.5Confident50 Ų5052.2 Ų52.223%0.23429%0.288CS..EExtended strand (participates in β ladder)trans-111.8144.3175.665.3169-151.800112.4R92 I105 N106 S142R92-E119 IonicContact CZ-OE1 3.04Å; R92-E119 IonicContact CZ-OE2 3.11Å; R92-E119 IonicContact NH1-OE1 2.67Å; R92-E119 PolarHBondContact NH1-OE1 3.32Å; R92-E119 IonicContact NH1-OE2 2.68Å; R92-E119 PolarHBondContact NH1-OE2 3.18Å; R92-E119 IonicContact NH2-OE1 3.69Å; R92-E119 IonicContact NH2-OE2 2.64Å; R92-E119 PolarHBondContact NH2-OE2 2.93Å; I105-E119 WeakPolarHBondContact O-CA 3.47Å; N106-E119 WeakPolarHBondContact OD1-CB 3.45Å; E119-S142 WeakPolarHBondContact CG-OG 3.48Å; E119-S142 PolarHBondContact N-OG 2.76Å; E119-S142 PolarHBondContact O-N 3.02Å; E119-S142 PolarHBondContact O-OG 3.33Å
120H92Very high82Confident0 Ų058.1 Ų58.10%031%0.308CS..EExtended strand (participates in β ladder)trans-133.6107.7165.9-178.3-66.8000108.4C104 I105 I141 L145 L157C104-H120 WeakPolarHBondContact CA-O 3.08Å; I105-H120 PolarHBondContact N-O 2.72Å; I105-H120 PolarHBondContact O-N 3.2Å; H120-I141 WeakPolarHBondContact NE2-CD1 3.44Å; H120-L145 HydrophobicContact CB-CD1 4.16Å; H120-L157 HydrophobicContact CB-CD1 3.86Å
121C90.2Very high80.7Confident0 Ų063.6 Ų63.60%033%0.334CS..EExtended strand (participates in β ladder)trans-112.9137175.4-63.70000109.9F102 D103 C104 Y139 F140F102-C121 HydrophobicContact CB-CB 4.04Å; D103-C121 VanDerWaalsContact O-CA 3.31Å; D103-C121 WeakPolarHBondContact O-CA 3.04Å; C104-C121 HydrophobicContact CB-CB 4.09Å; C104-C121 WeakPolarHBondContact CB-SG 3.5Å; C104-C121 WeakPolarHBondContact SG-CB 3.44Å; C104-C121 CovalentContact SG-SG 2.04Å; C104-C121 PolarHBondContact SG-SG 3.41Å; C121-Y139 CarbonylContact O-C 3.52Å; C121-Y139 VanDerWaalsContact O-CA 3.26Å; C121-Y139 WeakPolarHBondContact O-CA 3.39Å; C121-F140 HydrophobicContact CB-CB 4.08Å; C121-F140 PolarHBondContact N-O 2.8Å; C121-F140 PolarHBondContact O-N 2.92Å
122S88.8Confident79.4Confident0 Ų071.3 Ų71.30%037%0.366CS..EExtended strand (participates in β ladder)trans-139.7153.6-178.155.70000110.8F102 D103 Y124 F138 Q154F102-S122 WeakPolarHBondContact CA-O 3.27Å; D103-S122 PolarHBondContact N-O 3.4Å; D103-S122 PolarHBondContact O-N 3.49Å; D103-S122 PolarHBondContact O-OG 2.83Å; S122-Y124 VanDerWaalsContact CB-OH 3.23Å; S122-Y124 WeakPolarHBondContact CB-OH 3.18Å; S122-Y124 WeakPolarHBondContact OG-CE2 3Å; S122-Y124 PolarHBondContact OG-OH 2.92Å; S122-F138 CarbonylContact C-O 3.56Å; S122-F138 WeakPolarHBondContact CA-O 3.5Å; S122-Q154 PolarHBondContact OG-NE2 2.9Å; S122-Q154 VanDerWaalsContact OG-NE2 3.14Å; S122-Q154 PolarHBondContact OG-OE1 3.17Å
123W85.1Confident78.7Confident48 Ų4871.9 Ų71.918%0.18237%0.371CS..EExtended strand (participates in β ladder)trans-139.5125.6169.1176.579.9000107.5T100 N101 F102 T125 W135 H136 N137 F138T100-W123 HydrophobicContact CG2-CB 4.13Å; T100-W123 VanDerWaalsContact CG2-CD1 3.4Å; T100-W123 HydrophobicContact CG2-CD2 3.71Å; T100-W123 HydrophobicContact CG2-CG 3.46Å; T100-W123 VanDerWaalsContact CG2-CG 3.46Å; N101-W123 VanDerWaalsContact O-CD1 3.26Å; F102-W123 HydrophobicContact CD1-CB 3.63Å; F102-W123 HydrophobicContact CE1-CB 3.54Å; F102-W123 HydrophobicContact CG-CB 4.37Å; F102-W123 HydrophobicContact CZ-CB 4.26Å; W123-T125 HydrophobicContact CH2-CG2 4.11Å; W123-T125 WeakPolarHBondContact CZ3-OG1 3.17Å; W123-W135 HydrophobicContact CH2-CB 3.51Å; W123-W135 HydrophobicContact CH2-CD2 4.34Å; W123-W135 HydrophobicContact CH2-CE3 4.39Å; W123-W135 AromaticContact CH2-CG 3.98Å; W123-W135 HydrophobicContact CH2-CG 3.98Å; W123-W135 HydrophobicContact CZ3-CB 3.78Å; W123-W135 HydrophobicContact CZ3-CE3 4.45Å; W123-H136 WeakPolarHBondContact CZ3-O 3.05Å; W123-N137 WeakPolarHBondContact O-CA 3Å; W123-F138 HydrophobicContact CE3-CB 4.33Å; W123-F138 PolarHBondContact N-O 2.84Å; W123-F138 PolarHBondContact O-N 3.34Å
124Y80.3Confident78.1Confident42 Ų4277 Ų7717%0.16539%0.388CS..  trans-106.6131.4-178.5-56.4-77.9000109.7S122 D126 N137 Y139 E151 Q154S122-Y124 VanDerWaalsContact CB-OH 3.23Å; S122-Y124 WeakPolarHBondContact CB-OH 3.18Å; S122-Y124 WeakPolarHBondContact OG-CE2 3Å; S122-Y124 PolarHBondContact OG-OH 2.92Å; Y124-D126 PolarHBondContact O-N 3.01Å; Y124-N137 HydrophobicContact CD1-CB 4.3Å; Y124-Y139 HydrophobicContact CD1-CE1 4.2Å; Y124-Y139 AromaticContact CE1-CE1 3.39Å; Y124-Y139 HydrophobicContact CE1-CE1 3.39Å; Y124-Y139 AromaticContact CE1-CZ 3.87Å; Y124-Y139 WeakPolarHBondContact CE1-OH 3.47Å; Y124-Y139 AromaticContact CZ-CE1 3.82Å; Y124-E151 HydrophobicContact CD1-CB 3.73Å; Y124-E151 HydrophobicContact CD1-CG 3.67Å; Y124-E151 HydrophobicContact CD2-CG 4.24Å; Y124-E151 HydrophobicContact CE1-CB 3.22Å; Y124-E151 HydrophobicContact CE1-CG 3.39Å; Y124-E151 HydrophobicContact CE2-CG 3.99Å; Y124-E151 HydrophobicContact CG-CG 4.11Å; Y124-E151 WeakPolarHBondContact OH-CA 3.07Å; Y124-Q154 PolarHBondContact OH-OE1 3.19Å
125T76.1Confident77.7Confident22 Ų2272.7 Ų72.714%0.13536%0.355CS..  trans-75.5120.7172.7-470000108.6W123 N129 W130 W135 N137W123-T125 HydrophobicContact CH2-CG2 4.11Å; W123-T125 WeakPolarHBondContact CZ3-OG1 3.17Å; T125-N129 HydrophobicContact CG2-CB 3.38Å; T125-W130 HydrophobicContact CG2-CB 3.98Å; T125-W130 VanDerWaalsContact CG2-N 3.27Å; T125-W135 HydrophobicContact CG2-CB 3.89Å; T125-W135 VanDerWaalsContact CG2-O 3.26Å; T125-W135 WeakPolarHBondContact CG2-O 3.5Å; T125-W135 VanDerWaalsContact OG1-C 3.29Å; T125-W135 PolarHBondContact OG1-O 2.82Å; T125-N137 PolarHBondContact N-OD1 2.95Å; T125-N137 PolarHBondContact OG1-N 3.25Å
126D74.2Confident77.3Confident86 Ų8676.5 Ų76.546%0.4637%0.37SS..  trans-72.5167.4166.36519.3000111.8Y124 L128 N129 W130Y124-D126 PolarHBondContact O-N 3.01Å; D126-L128 PolarHBondContact O-N 3.17Å; D126-L128 VanDerWaalsContact O-N 3.1Å; D126-L128 PolarHBondContact OD1-N 2.69Å; D126-N129 VanDerWaalsContact CG-ND2 3.32Å; D126-N129 PolarHBondContact O-N 2.67Å; D126-N129 VanDerWaalsContact OD1-CB 3.26Å; D126-N129 WeakPolarHBondContact OD1-CB 3Å; D126-N129 VanDerWaalsContact OD1-CG 3.29Å; D126-N129 PolarHBondContact OD1-N 3.03Å; D126-N129 PolarHBondContact OD1-ND2 2.83Å; D126-N129 PolarHBondContact OD2-ND2 3.34Å; D126-W130 PolarHBondContact O-N 2.93Å; D126-W130 VanDerWaalsContact O-N 3.08Å
127G67.7Low77Confident57 Ų5771.2 Ų71.259%0.58835%0.35SS*.Hα-helixtrans-58.2-27.4-178.700000113.8H131G127-H131 PolarHBondContact O-N 3.42Å
128L65Low76.7Confident123 Ų12370.1 Ų70.164%0.64434%0.336SS*.Hα-helixtrans-73-47.8179.2-137.5102.2000111.1D126 W130 H131 F132D126-L128 PolarHBondContact O-N 3.17Å; D126-L128 VanDerWaalsContact O-N 3.1Å; D126-L128 PolarHBondContact OD1-N 2.69Å; L128-W130 VanDerWaalsContact C-N 3.29Å; L128-W130 PolarHBondContact O-N 3.31Å; L128-H131 PolarHBondContact O-N 3.16Å; L128-F132 HydrophobicContact CG-CD2 4.36Å; L128-F132 HydrophobicContact CG-CE2 4.38Å; L128-F132 WeakPolarHBondContact O-CD2 3.43Å; L128-F132 PolarHBondContact O-N 3.34Å; L128-F132 VanDerWaalsContact O-N 3.13Å
129N64.7Low76.3Confident65 Ų6573.1 Ų73.135%0.34835%0.348SS..Hα-helixtrans-67-31.2179.2-75.9-56.5000112.2T125 D126 G133 R134T125-N129 HydrophobicContact CG2-CB 3.38Å; D126-N129 VanDerWaalsContact CG-ND2 3.32Å; D126-N129 PolarHBondContact O-N 2.67Å; D126-N129 VanDerWaalsContact OD1-CB 3.26Å; D126-N129 WeakPolarHBondContact OD1-CB 3Å; D126-N129 VanDerWaalsContact OD1-CG 3.29Å; D126-N129 PolarHBondContact OD1-N 3.03Å; D126-N129 PolarHBondContact OD1-ND2 2.83Å; D126-N129 PolarHBondContact OD2-ND2 3.34Å; N129-G133 WeakPolarHBondContact O-CA 3.29Å; N129-G133 PolarHBondContact O-N 2.03Å; N129-R134 PolarHBondContact O-N 2.99Å
130W62.7Low76Confident146 Ų14673.7 Ų73.755%0.55335%0.35SS*.Hα-helixtrans-66.7-46.1173.5-17185.3000111T125 D126 L128 R134T125-W130 HydrophobicContact CG2-CB 3.98Å; T125-W130 VanDerWaalsContact CG2-N 3.27Å; D126-W130 PolarHBondContact O-N 2.93Å; D126-W130 VanDerWaalsContact O-N 3.08Å; L128-W130 VanDerWaalsContact C-N 3.29Å; L128-W130 PolarHBondContact O-N 3.31Å; W130-R134 PolarHBondContact O-N 3.41Å
131H64.1Low75.8Confident141 Ų14175.4 Ų75.465%0.65336%0.358SS*.Hα-helixtrans-65.1-40.6-177.8-100.8-35.4000114G127 L128G127-H131 PolarHBondContact O-N 3.42Å; L128-H131 PolarHBondContact O-N 3.16Å
132F64.1Low75.8Confident181 Ų18176.5 Ų76.579%0.79437%0.366SS*.Hα-helixtrans-101.3-24.8-173-66.3-72.8000114.5L128L128-F132 HydrophobicContact CG-CD2 4.36Å; L128-F132 HydrophobicContact CG-CE2 4.38Å; L128-F132 WeakPolarHBondContact O-CD2 3.43Å; L128-F132 PolarHBondContact O-N 3.34Å; L128-F132 VanDerWaalsContact O-N 3.13Å
133G67.2Low75.8Confident22 Ų2280.6 Ų80.623%0.22739%0.388CS..Hα-helixtrans-117.2-8.8-173.300000116N129 W135N129-G133 WeakPolarHBondContact O-CA 3.29Å; N129-G133 PolarHBondContact O-N 2.03Å; G133-W135 VanDerWaalsContact CA-CD1 3.5Å; G133-W135 PolarHBondContact O-N 3.05Å
134R70.9Confident76Confident193 Ų19378.4 Ų78.473%0.72838%0.38SS*.  trans50.237.6-171.1-60.5-175.3179-173.70.2112.7N129 W130N129-R134 PolarHBondContact O-N 2.99Å; W130-R134 PolarHBondContact O-N 3.41Å
135W71.5Confident76.4Confident62 Ų6276.4 Ų76.424%0.23537%0.372CS..PPolyproline II helixtrans-79.5137.2175.3-64.991000110.1Q95 A98 W123 T125 G133Q95-W135 HydrophobicContact CB-CE3 4.03Å; Q95-W135 HydrophobicContact CB-CZ3 3.89Å; Q95-W135 WeakPolarHBondContact O-CZ3 3.36Å; A98-W135 HydrophobicContact CB-CH2 3.45Å; A98-W135 VanDerWaalsContact CB-CH2 3.45Å; A98-W135 HydrophobicContact CB-CZ2 4.49Å; A98-W135 HydrophobicContact CB-CZ3 4.01Å; W123-W135 HydrophobicContact CH2-CB 3.51Å; W123-W135 HydrophobicContact CH2-CD2 4.34Å; W123-W135 HydrophobicContact CH2-CE3 4.39Å; W123-W135 AromaticContact CH2-CG 3.98Å; W123-W135 HydrophobicContact CH2-CG 3.98Å; W123-W135 HydrophobicContact CZ3-CB 3.78Å; W123-W135 HydrophobicContact CZ3-CE3 4.45Å; T125-W135 HydrophobicContact CG2-CB 3.89Å; T125-W135 VanDerWaalsContact CG2-O 3.26Å; T125-W135 WeakPolarHBondContact CG2-O 3.5Å; T125-W135 VanDerWaalsContact OG1-C 3.29Å; T125-W135 PolarHBondContact OG1-O 2.82Å; G133-W135 VanDerWaalsContact CA-CD1 3.5Å; G133-W135 PolarHBondContact O-N 3.05Å
136H76.9Confident76.8Confident110 Ų11077.1 Ų77.151%0.50938%0.384SS..PPolyproline II helixtrans-103.7153.1173.2-62.8-76.9000109.7W123 F138W123-H136 WeakPolarHBondContact CZ3-O 3.05Å; H136-F138 PolarHBondContact O-N 3.14Å
137N80.7Confident77.2Confident64 Ų6476.4 Ų76.434%0.34238%0.38SS..PPolyproline II helixtrans-52.7138.4172-60.6-9.1000109.6W123 Y124 T125 Y139W123-N137 WeakPolarHBondContact O-CA 3Å; Y124-N137 HydrophobicContact CD1-CB 4.3Å; T125-N137 PolarHBondContact N-OD1 2.95Å; T125-N137 PolarHBondContact OG1-N 3.25Å; N137-Y139 HydrophobicContact CB-CE1 4.42Å; N137-Y139 HydrophobicContact CB-CE2 3.9Å; N137-Y139 WeakPolarHBondContact CB-OH 3.13Å; N137-Y139 PolarHBondContact ND2-OH 2.99Å
138F82.8Confident77.8Confident60 Ų6074.1 Ų74.126%0.26335%0.354SS..EExtended strand (participates in β ladder)trans-131.4143.1-172.1-157.1-87.6000110.4Q95 F102 S122 W123 H136 F140Q95-F138 HydrophobicContact CB-CD2 3.91Å; Q95-F138 HydrophobicContact CB-CE2 4.12Å; Q95-F138 HydrophobicContact CG-CD2 4.49Å; F102-F138 HydrophobicContact CE1-CB 4.05Å; F102-F138 AromaticContact CE1-CD1 3.64Å; F102-F138 HydrophobicContact CE1-CD1 3.64Å; F102-F138 HydrophobicContact CE1-CG 4.3Å; F102-F138 HydrophobicContact CZ-CB 4.36Å; F102-F138 AromaticContact CZ-CD1 3.6Å; F102-F138 HydrophobicContact CZ-CD1 3.6Å; F102-F138 HydrophobicContact CZ-CE1 4.36Å; F102-F138 HydrophobicContact CZ-CG 4.32Å; S122-F138 CarbonylContact C-O 3.56Å; S122-F138 WeakPolarHBondContact CA-O 3.5Å; W123-F138 HydrophobicContact CE3-CB 4.33Å; W123-F138 PolarHBondContact N-O 2.84Å; W123-F138 PolarHBondContact O-N 3.34Å; H136-F138 PolarHBondContact O-N 3.14Å; F138-F140 HydrophobicContact CD1-CD2 4.44Å; F138-F140 AromaticContact CD1-CE2 3.95Å; F138-F140 HydrophobicContact CD1-CE2 3.95Å; F138-F140 HydrophobicContact CD1-CZ 4.31Å; F138-F140 HydrophobicContact CE1-CD2 4.34Å; F138-F140 HydrophobicContact CE1-CE1 4.15Å; F138-F140 AromaticContact CE1-CE2 3.65Å; F138-F140 HydrophobicContact CE1-CE2 3.65Å; F138-F140 AromaticContact CE1-CZ 3.54Å; F138-F140 HydrophobicContact CE1-CZ 3.54Å; F138-F140 HydrophobicContact CZ-CZ 4.48Å
139Y85.9Confident78Confident63 Ų6371.8 Ų71.825%0.24735%0.346CS..EExtended strand (participates in β ladder)trans-142.2141.9-171.7-45.4-80.5000111.9C121 Y124 N137 I141C121-Y139 CarbonylContact O-C 3.52Å; C121-Y139 VanDerWaalsContact O-CA 3.26Å; C121-Y139 WeakPolarHBondContact O-CA 3.39Å; Y124-Y139 HydrophobicContact CD1-CE1 4.2Å; Y124-Y139 AromaticContact CE1-CE1 3.39Å; Y124-Y139 HydrophobicContact CE1-CE1 3.39Å; Y124-Y139 AromaticContact CE1-CZ 3.87Å; Y124-Y139 WeakPolarHBondContact CE1-OH 3.47Å; Y124-Y139 AromaticContact CZ-CE1 3.82Å; N137-Y139 HydrophobicContact CB-CE1 4.42Å; N137-Y139 HydrophobicContact CB-CE2 3.9Å; N137-Y139 WeakPolarHBondContact CB-OH 3.13Å; N137-Y139 PolarHBondContact ND2-OH 2.99Å; Y139-I141 HydrophobicContact CG-CD1 4.49Å
140F86.2Confident78.2Confident62 Ų6271 Ų7127%0.27234%0.344SS..EExtended strand (participates in β ladder)trans-118114.3162.7-64.6-84.5000108R92 R93 F102 C121 F138R92-F140 HydrophobicContact CB-CE2 4.25Å; R93-F140 VanDerWaalsContact O-CZ 3.26Å; R93-F140 WeakPolarHBondContact O-CZ 3.38Å; F102-F140 HydrophobicContact CD1-CD2 4.14Å; F102-F140 HydrophobicContact CD1-CE2 4.42Å; F102-F140 HydrophobicContact CD2-CE2 4.32Å; F102-F140 AromaticContact CE1-CD2 3.98Å; F102-F140 HydrophobicContact CE1-CD2 3.98Å; F102-F140 AromaticContact CE1-CE2 3.92Å; F102-F140 HydrophobicContact CE1-CE2 3.92Å; F102-F140 HydrophobicContact CE2-CD2 4.37Å; F102-F140 AromaticContact CE2-CE2 3.77Å; F102-F140 HydrophobicContact CE2-CE2 3.77Å; F102-F140 HydrophobicContact CG-CD2 4.45Å; F102-F140 HydrophobicContact CZ-CD2 4.11Å; F102-F140 AromaticContact CZ-CE2 3.58Å; F102-F140 HydrophobicContact CZ-CE2 3.58Å; C121-F140 HydrophobicContact CB-CB 4.08Å; C121-F140 PolarHBondContact N-O 2.8Å; C121-F140 PolarHBondContact O-N 2.92Å; F138-F140 HydrophobicContact CD1-CD2 4.44Å; F138-F140 AromaticContact CD1-CE2 3.95Å; F138-F140 HydrophobicContact CD1-CE2 3.95Å; F138-F140 HydrophobicContact CD1-CZ 4.31Å; F138-F140 HydrophobicContact CE1-CD2 4.34Å; F138-F140 HydrophobicContact CE1-CE1 4.15Å; F138-F140 AromaticContact CE1-CE2 3.65Å; F138-F140 HydrophobicContact CE1-CE2 3.65Å; F138-F140 AromaticContact CE1-CZ 3.54Å; F138-F140 HydrophobicContact CE1-CZ 3.54Å; F138-F140 HydrophobicContact CZ-CZ 4.48Å
141I87.4Confident78.2Confident36 Ų3668.1 Ų68.119%0.18534%0.337CS..EExtended strand (participates in β ladder)trans-131.6132.2-173.4-51.7174.6000107.8H120 Y139 L145 T149H120-I141 WeakPolarHBondContact NE2-CD1 3.44Å; Y139-I141 HydrophobicContact CG-CD1 4.49Å; I141-L145 HydrophobicContact CG2-CB 3.54Å; I141-L145 WeakPolarHBondContact CG2-O 3.04Å; I141-T149 HydrophobicContact CD1-CG2 4.08Å
142S90.5Very high78.7Confident24 Ų2466.5 Ų66.517%0.16833%0.329CS..  trans-61.7146171.7-69.30000111E119 F144 L145 G146E119-S142 WeakPolarHBondContact CG-OG 3.48Å; E119-S142 PolarHBondContact N-OG 2.76Å; E119-S142 PolarHBondContact O-N 3.02Å; E119-S142 PolarHBondContact O-OG 3.33Å; S142-F144 PolarHBondContact O-N 3.41Å; S142-L145 CarbonylContact O-C 3.52Å; S142-L145 PolarHBondContact O-N 2.78Å; S142-G146 PolarHBondContact O-N 2.84Å; S142-G146 VanDerWaalsContact O-N 3.15Å
143D88.1Confident79.5Confident85 Ų8558.5 Ų58.546%0.45529%0.294SS..G310 helixtrans-47.6-36.3-178.9-72.2-9.4000113.6D55 P56 K57 L145 G146D55-D143 HydrophobicContact CB-CB 4.47Å; P56-D143 VanDerWaalsContact CD-O 3.22Å; P56-D143 WeakPolarHBondContact CD-O 3.39Å; P56-D143 WeakPolarHBondContact CG-O 3.25Å; K57-D143 IonicContact NZ-OD2 2.79Å; K57-D143 PolarHBondContact NZ-OD2 3.07Å; D143-L145 VanDerWaalsContact C-N 3.26Å; D143-L145 PolarHBondContact O-N 3.18Å; D143-G146 PolarHBondContact O-N 3.23Å
144F89.7Confident80.2Confident2 Ų258 Ų581%0.00929%0.286CS..G310 helixtrans-61.7-27.7178.7-174.5-106.5000114.9R80 L82 V118 S142 R166R80-F144 HydrophobicContact CB-CD2 4.21Å; R80-F144 HydrophobicContact CB-CE2 3.72Å; R80-F144 HydrophobicContact CB-CZ 4.09Å; R80-F144 HydrophobicContact CG-CD2 4.07Å; R80-F144 HydrophobicContact CG-CE1 4.43Å; R80-F144 HydrophobicContact CG-CE2 3.92Å; R80-F144 HydrophobicContact CG-CG 4.37Å; R80-F144 HydrophobicContact CG-CZ 4.12Å; R80-F144 VanDerWaalsContact O-CZ 3.22Å; R80-F144 WeakPolarHBondContact O-CZ 3.46Å; L82-F144 HydrophobicContact CD2-CD1 4.24Å; L82-F144 HydrophobicContact CD2-CE1 3.89Å; L82-F144 HydrophobicContact CG-CE1 4.39Å; V118-F144 HydrophobicContact CG1-CD1 4.26Å; V118-F144 HydrophobicContact CG2-CB 3.95Å; V118-F144 HydrophobicContact CG2-CD1 3.83Å; V118-F144 HydrophobicContact CG2-CG 4.15Å; S142-F144 PolarHBondContact O-N 3.41Å; F144-R166 HydrophobicContact CZ-CB 4.11Å; F144-R166 PolarHBondContact O-NH1 2.81Å
145L89Confident80.8Confident0 Ų056.2 Ų56.20%028%0.279CS..G310 helixtrans-111.88.3177.1-58.2-178.1000112.1V118 H120 I141 S142 D143 D147 L148 L157 L183V118-L145 HydrophobicContact CG1-CD1 3.27Å; V118-L145 HydrophobicContact CG1-CD2 4.27Å; V118-L145 HydrophobicContact CG1-CG 3.44Å; V118-L145 VanDerWaalsContact CG1-CG 3.44Å; H120-L145 HydrophobicContact CB-CD1 4.16Å; I141-L145 HydrophobicContact CG2-CB 3.54Å; I141-L145 WeakPolarHBondContact CG2-O 3.04Å; S142-L145 CarbonylContact O-C 3.52Å; S142-L145 PolarHBondContact O-N 2.78Å; D143-L145 VanDerWaalsContact C-N 3.26Å; D143-L145 PolarHBondContact O-N 3.18Å; L145-D147 PolarHBondContact O-N 3.48Å; L145-L148 HydrophobicContact CD2-CD1 4.03Å; L145-L148 WeakPolarHBondContact O-CB 3.22Å; L145-L148 PolarHBondContact O-N 2.8Å; L145-L157 HydrophobicContact CD1-CD1 4.14Å; L145-L157 HydrophobicContact CD1-CD2 4.27Å; L145-L183 HydrophobicContact CD2-CD1 3.92Å
146G84.1Confident81.6Confident38 Ų3858.6 Ų58.639%0.39229%0.288SS..THydrogen-bonded Turntrans-61.7-12.9-170.300000114.9S142 D143 T149S142-G146 PolarHBondContact O-N 2.84Å; S142-G146 VanDerWaalsContact O-N 3.15Å; D143-G146 PolarHBondContact O-N 3.23Å; G146-T149 WeakPolarHBondContact O-CG2 3.5Å
147D81.4Confident82.2Confident71 Ų7153.5 Ų53.538%0.3827%0.265SS..THydrogen-bonded Turntrans-88.7-11.1174.464.3-46.7000114.2L145 T149 R166L145-D147 PolarHBondContact O-N 3.48Å; D147-T149 PolarHBondContact O-N 3.39Å; D147-R166 IonicContact OD1-CZ 2.99Å; D147-R166 IonicContact OD1-NH1 3.23Å; D147-R166 PolarHBondContact OD1-NH1 3.45Å; D147-R166 IonicContact OD1-NH2 2.78Å; D147-R166 PolarHBondContact OD1-NH2 2.85Å; D147-R166 VanDerWaalsContact OD1-NH2 3.11Å; D147-R166 IonicContact OD2-CZ 2.67Å; D147-R166 IonicContact OD2-NH1 2.83Å; D147-R166 IonicContact OD2-NH2 3.58Å; D147-R166 PolarHBondContact OD2-NH2 3.35Å
148L81.7Confident82.6Confident8 Ų854.2 Ų54.24%0.04227%0.266CS..  trans-94.258.8-179.3-59.1-176.8000112.4L145 E153 L157 L183L145-L148 HydrophobicContact CD2-CD1 4.03Å; L145-L148 WeakPolarHBondContact O-CB 3.22Å; L145-L148 PolarHBondContact O-N 2.8Å; L148-E153 HydrophobicContact CB-CB 4Å; L148-E153 HydrophobicContact CB-CG 3.9Å; L148-E153 HydrophobicContact CD2-CG 4.33Å; L148-L157 HydrophobicContact CD1-CD2 4.24Å; L148-L183 HydrophobicContact CD1-CD1 4.2Å
149T68.5Low82.9Confident75 Ų7559.2 Ų59.246%0.4629%0.288SS..  trans-87.6-0.4-168.147.40000119.9I141 G146 D147I141-T149 HydrophobicContact CD1-CG2 4.08Å; G146-T149 WeakPolarHBondContact O-CG2 3.5Å; D147-T149 PolarHBondContact O-N 3.39Å
150P68.2Low83.2Confident47 Ų4757.9 Ų57.931%0.30528%0.284SS..SBendtrans-95.1161.2173.9-19.635.8000117H152 E153P150-H152 WeakPolarHBondContact CB-CE1 3.49Å; P150-H152 WeakPolarHBondContact CB-ND1 3.05Å; P150-H152 WeakPolarHBondContact CG-CE1 3.43Å; P150-H152 PolarHBondContact O-N 2.79Å; P150-H152 VanDerWaalsContact O-N 3.13Å; P150-E153 WeakPolarHBondContact O-CB 3.4Å; P150-E153 PolarHBondContact O-N 2.92Å
151E64.1Low83.6Confident86 Ų8659 Ų5940%0.40229%0.291SS..Hα-helixtrans-50.7-36.8173.2-173.2175.8169.900114.6Y124 E153 Q154Y124-E151 HydrophobicContact CD1-CB 3.73Å; Y124-E151 HydrophobicContact CD1-CG 3.67Å; Y124-E151 HydrophobicContact CD2-CG 4.24Å; Y124-E151 HydrophobicContact CE1-CB 3.22Å; Y124-E151 HydrophobicContact CE1-CG 3.39Å; Y124-E151 HydrophobicContact CE2-CG 3.99Å; Y124-E151 HydrophobicContact CG-CG 4.11Å; Y124-E151 WeakPolarHBondContact OH-CA 3.07Å; E151-E153 PolarHBondContact O-N 3.04Å; E151-Q154 PolarHBondContact O-N 2.84Å
152H73.6Confident83.8Confident108 Ų10859.1 Ų59.150%0.529%0.291SS..Hα-helixtrans-63.5-25.317959.9-107.4000112.8P150 R156P150-H152 WeakPolarHBondContact CB-CE1 3.49Å; P150-H152 WeakPolarHBondContact CB-ND1 3.05Å; P150-H152 WeakPolarHBondContact CG-CE1 3.43Å; P150-H152 PolarHBondContact O-N 2.79Å; P150-H152 VanDerWaalsContact O-N 3.13Å; H152-R156 WeakPolarHBondContact O-CG 3.15Å; H152-R156 PolarHBondContact O-N 2.03Å
153E81.2Confident84Confident13 Ų1359 Ų596%0.06129%0.29CS..Hα-helixtrans-74.1-35.2-178.3-67.3-57.5149.600112.6L148 P150 E151 R155 R156 L157L148-E153 HydrophobicContact CB-CB 4Å; L148-E153 HydrophobicContact CB-CG 3.9Å; L148-E153 HydrophobicContact CD2-CG 4.33Å; P150-E153 WeakPolarHBondContact O-CB 3.4Å; P150-E153 PolarHBondContact O-N 2.92Å; E151-E153 PolarHBondContact O-N 3.04Å; E153-R155 PolarHBondContact O-N 3.43Å; E153-R156 CarbonylContact O-C 3.56Å; E153-R156 WeakPolarHBondContact O-CA 3.33Å; E153-R156 WeakPolarHBondContact O-CB 3.28Å; E153-R156 PolarHBondContact O-N 3.46Å; E153-R156 IonicContact OE1-CZ 2.79Å; E153-R156 IonicContact OE1-NH1 2.71Å; E153-R156 PolarHBondContact OE1-NH1 3.39Å; E153-R156 IonicContact OE2-CZ 3.93Å; E153-R156 IonicContact OE2-NE 2.62Å; E153-R156 IonicContact OE2-NH1 3.26Å; E153-R156 PolarHBondContact OE2-NH1 3.26Å; E153-L157 VanDerWaalsContact O-CG 3.3Å; E153-L157 WeakPolarHBondContact O-CG 3.34Å; E153-L157 PolarHBondContact O-N 3.39Å
154Q81.5Confident84.3Confident12 Ų1254.9 Ų54.96%0.05627%0.268CS..Hα-helixtrans-62-45.2176.5-172.2176.816.500111.6D103 I105 S122 Y124 E151 R156 L157 E158D103-Q154 PolarHBondContact O-NE2 2.83Å; D103-Q154 VanDerWaalsContact O-NE2 3.09Å; I105-Q154 HydrophobicContact CD1-CG 3.69Å; I105-Q154 HydrophobicContact CG1-CG 4.4Å; S122-Q154 PolarHBondContact OG-NE2 2.9Å; S122-Q154 VanDerWaalsContact OG-NE2 3.14Å; S122-Q154 PolarHBondContact OG-OE1 3.17Å; Y124-Q154 PolarHBondContact OH-OE1 3.19Å; E151-Q154 PolarHBondContact O-N 2.84Å; Q154-R156 PolarHBondContact O-N 2.69Å; Q154-L157 WeakPolarHBondContact O-CB 3.5Å; Q154-L157 PolarHBondContact O-N 3.35Å; Q154-L157 VanDerWaalsContact O-N 3.11Å; Q154-E158 WeakPolarHBondContact O-CG 3.49Å; Q154-E158 PolarHBondContact O-N 2.99Å
155R83.5Confident84.5Confident155 Ų15554.8 Ų54.859%0.58527%0.268SS*.Hα-helixtrans-61.6-30.6175.4-68.9-174.1-174.7-179.35.2112.3E153 K159E153-R155 PolarHBondContact O-N 3.43Å; R155-K159 WeakPolarHBondContact O-CG 3.46Å; R155-K159 PolarHBondContact O-N 3.21Å
156R87.8Confident84.8Confident111 Ų11154.9 Ų54.942%0.41927%0.268SS..Hα-helixtrans-71.6-43.6173.9-70.7176.371.1-159-2.7111.1H152 E153 Q154 E158 K159 I160 D182H152-R156 WeakPolarHBondContact O-CG 3.15Å; H152-R156 PolarHBondContact O-N 2.03Å; E153-R156 CarbonylContact O-C 3.56Å; E153-R156 WeakPolarHBondContact O-CA 3.33Å; E153-R156 WeakPolarHBondContact O-CB 3.28Å; E153-R156 PolarHBondContact O-N 3.46Å; E153-R156 IonicContact OE1-CZ 2.79Å; E153-R156 IonicContact OE1-NH1 2.71Å; E153-R156 PolarHBondContact OE1-NH1 3.39Å; E153-R156 IonicContact OE2-CZ 3.93Å; E153-R156 IonicContact OE2-NE 2.62Å; E153-R156 IonicContact OE2-NH1 3.26Å; E153-R156 PolarHBondContact OE2-NH1 3.26Å; Q154-R156 PolarHBondContact O-N 2.69Å; R156-E158 VanDerWaalsContact C-N 3.3Å; R156-E158 PolarHBondContact O-N 2.79Å; R156-K159 CarbonylContact O-C 3.5Å; R156-K159 PolarHBondContact O-N 3.45Å; R156-I160 PolarHBondContact O-N 3.33Å; R156-D182 IonicContact CZ-OD2 2.97Å; R156-D182 IonicContact NH1-OD2 3.58Å; R156-D182 PolarHBondContact NH1-OD2 3.33Å; R156-D182 VanDerWaalsContact NH2-CG 3.29Å; R156-D182 IonicContact NH2-OD1 3.17Å; R156-D182 IonicContact NH2-OD2 2.84Å; R156-D182 PolarHBondContact NH2-OD2 3.44Å
157L89.7Confident85.3Confident4 Ų453 Ų532%0.02125%0.249CC..Hα-helixtrans-61.5-35.2175.6-69.6173.9000112.5I105 F107 H120 L145 L148 E153 Q154 K159 I160 L183I105-L157 HydrophobicContact CD1-CB 3.95Å; F107-L157 HydrophobicContact CE2-CB 4.34Å; F107-L157 HydrophobicContact CE2-CD2 4.25Å; F107-L157 HydrophobicContact CZ-CB 4.05Å; F107-L157 HydrophobicContact CZ-CD2 4.18Å; H120-L157 HydrophobicContact CB-CD1 3.86Å; L145-L157 HydrophobicContact CD1-CD1 4.14Å; L145-L157 HydrophobicContact CD1-CD2 4.27Å; L148-L157 HydrophobicContact CD1-CD2 4.24Å; E153-L157 VanDerWaalsContact O-CG 3.3Å; E153-L157 WeakPolarHBondContact O-CG 3.34Å; E153-L157 PolarHBondContact O-N 3.39Å; Q154-L157 WeakPolarHBondContact O-CB 3.5Å; Q154-L157 PolarHBondContact O-N 3.35Å; Q154-L157 VanDerWaalsContact O-N 3.11Å; L157-K159 VanDerWaalsContact C-N 3.27Å; L157-K159 PolarHBondContact O-N 2.89Å; L157-I160 WeakPolarHBondContact O-CG2 3.48Å; L157-L183 HydrophobicContact CD2-CD1 3.35Å
158E88.8Confident85.8Confident78 Ų7849.7 Ų49.736%0.36423%0.231SC..Hα-helixtrans-67.8-26.7173.9-71.1176.2174.700113.2R85 I105 Q154 R156R85-E158 PolarHBondContact NE-O 2.99Å; R85-E158 PolarHBondContact NH1-O 3.2Å; R85-E158 PolarHBondContact NH2-O 2.99Å; I105-E158 HydrophobicContact CD1-CG 3.44Å; I105-E158 VanDerWaalsContact CD1-CG 3.44Å; I105-E158 HydrophobicContact CG1-CG 4.46Å; Q154-E158 WeakPolarHBondContact O-CG 3.49Å; Q154-E158 PolarHBondContact O-N 2.99Å; R156-E158 VanDerWaalsContact C-N 3.3Å; R156-E158 PolarHBondContact O-N 2.79Å
159K90.8Very high86.3Confident166 Ų16649.5 Ų49.572%0.72223%0.23SC*.Hα-helixtrans-106.2-12.2-173.1-67.2178.8-175.6-178.60113.9R155 R156 L157 E161R155-K159 WeakPolarHBondContact O-CG 3.46Å; R155-K159 PolarHBondContact O-N 3.21Å; R156-K159 CarbonylContact O-C 3.5Å; R156-K159 PolarHBondContact O-N 3.45Å; L157-K159 VanDerWaalsContact C-N 3.27Å; L157-K159 PolarHBondContact O-N 2.89Å; K159-E161 PolarHBondContact O-N 3.44Å
160I92.1Very high87.3Confident34 Ų3446.2 Ų46.217%0.17421%0.21CC..PPolyproline II helixtrans-56.7136.8-178.5-16565000110.8R85 F107 R156 L157 L162 A164 L183R85-I160 PolarHBondContact NH1-O 2.97Å; F107-I160 HydrophobicContact CE1-CG2 4.44Å; R156-I160 PolarHBondContact O-N 3.33Å; L157-I160 WeakPolarHBondContact O-CG2 3.48Å; I160-L162 HydrophobicContact CG2-CD2 4.23Å; I160-A164 HydrophobicContact CG1-CB 3.77Å; I160-A164 HydrophobicContact CG2-CB 4.36Å; I160-L183 HydrophobicContact CD1-CB 4.32Å; I160-L183 HydrophobicContact CG1-CB 4.35Å
161E93.4Very high88.2Confident87 Ų8746.1 Ų46.141%0.40720%0.204SC..PPolyproline II helixtrans-72.7131.8174.3-167.5-171.5-175.100109.3K159 S185 R187K159-E161 PolarHBondContact O-N 3.44Å; E161-S185 WeakPolarHBondContact OE2-CB 3.46Å; E161-S185 PolarHBondContact OE2-OG 3.27Å; E161-R187 IonicContact OE1-CZ 3.77Å; E161-R187 VanDerWaalsContact OE1-CZ 3.26Å; E161-R187 IonicContact OE1-NE 3.92Å; E161-R187 IonicContact OE1-NH1 2.9Å; E161-R187 PolarHBondContact OE1-NH1 3.12Å
162L92.9Very high89Confident37 Ų3747.1 Ų47.119%0.19421%0.208CC..SBendtrans-102.1145.9178.7-64.8174.8000111.3L82 R85 F107 I160 A164L82-L162 HydrophobicContact CB-CD2 4.04Å; R85-L162 HydrophobicContact CB-CD1 4.12Å; R85-L162 HydrophobicContact CG-CD1 3.94Å; F107-L162 HydrophobicContact CD1-CD2 4.37Å; F107-L162 HydrophobicContact CE1-CD2 4.25Å; I160-L162 HydrophobicContact CG2-CD2 4.23Å; L162-A164 HydrophobicContact CD2-CB 3.85Å
163P94Very high89.2Confident21 Ų2144 Ų4414%0.13620%0.198CC..SBendcis-70.8140.3-1.426.5-31.4000112.6I81 L82 I83 C186I81-P163 HydrophobicContact CG2-CB 3.93Å; L82-P163 CarbonylContact O-C 3.55Å; L82-P163 WeakPolarHBondContact O-CA 3.43Å; L82-P163 WeakPolarHBondContact O-CB 3.39Å; I83-P163 HydrophobicContact CG2-CB 4.05Å; P163-C186 VanDerWaalsContact C-SG 3.55Å; P163-C186 HydrophobicContact CB-CB 4.48Å; P163-C186 HydrophobicContact CG-CB 4.14Å; P163-C186 VanDerWaalsContact O-CB 3.25Å; P163-C186 WeakPolarHBondContact O-CB 3.36Å; P163-C186 PolarHBondContact O-N 2.97Å; P163-C186 PolarHBondContact O-SG 2.9Å
164A94.2Very high88.9Confident0 Ų049.3 Ų49.30%023%0.234CC..EExtended strand (participates in β ladder)trans-102.8131.2-179.200000111L82 I160 L162 L183 Y184L82-A164 HydrophobicContact CB-CB 4.23Å; L82-A164 PolarHBondContact N-O 3.01Å; L82-A164 PolarHBondContact O-N 3.43Å; I160-A164 HydrophobicContact CG1-CB 3.77Å; I160-A164 HydrophobicContact CG2-CB 4.36Å; L162-A164 HydrophobicContact CD2-CB 3.85Å; A164-L183 HydrophobicContact CB-CD2 4.28Å; A164-Y184 CarbonylContact C-O 3.57Å; A164-Y184 WeakPolarHBondContact CA-O 3.43Å
165C94.7Very high88.7Confident0 Ų058.1 Ų58.10%027%0.272CS..EExtended strand (participates in β ladder)trans-110.2160.9-177-81.40000110.2L77 L183 Y184 C186L77-C165 HydrophobicContact CD1-CB 3.8Å; C165-L183 WeakPolarHBondContact O-CA 3.43Å; C165-Y184 HydrophobicContact CB-CD2 4.36Å; C165-Y184 HydrophobicContact CB-CE1 4.06Å; C165-Y184 HydrophobicContact CB-CE2 3.77Å; C165-Y184 PolarHBondContact N-O 3.21Å; C165-Y184 VanDerWaalsContact O-CD1 3.28Å; C165-Y184 WeakPolarHBondContact O-CD1 3.4Å; C165-Y184 PolarHBondContact O-N 3.36Å; C165-C186 VanDerWaalsContact CA-SG 3.54Å; C165-C186 HydrophobicContact CB-CB 4.01Å; C165-C186 WeakPolarHBondContact CB-SG 3.41Å; C165-C186 PolarHBondContact N-SG 2.71Å; C165-C186 VanDerWaalsContact SG-CA 3.53Å; C165-C186 WeakPolarHBondContact SG-CB 3.22Å; C165-C186 CovalentContact SG-SG 2.03Å; C165-C186 PolarHBondContact SG-SG 2.75Å
166R93.8Very high88.7Confident1 Ų155.4 Ų55.40%0.00427%0.265CS..  trans-143151.4178.9-136.4172.6177.1-155.9-14.8109.5N78 F144 D147 V180 E181 D182 L183N78-R166 VanDerWaalsContact CB-O 3.25Å; N78-R166 WeakPolarHBondContact CB-O 3.36Å; N78-R166 PolarHBondContact N-O 3.07Å; F144-R166 HydrophobicContact CZ-CB 4.11Å; F144-R166 PolarHBondContact O-NH1 2.81Å; D147-R166 IonicContact OD1-CZ 2.99Å; D147-R166 IonicContact OD1-NH1 3.23Å; D147-R166 PolarHBondContact OD1-NH1 3.45Å; D147-R166 IonicContact OD1-NH2 2.78Å; D147-R166 PolarHBondContact OD1-NH2 2.85Å; D147-R166 VanDerWaalsContact OD1-NH2 3.11Å; D147-R166 IonicContact OD2-CZ 2.67Å; D147-R166 IonicContact OD2-NH1 2.83Å; D147-R166 IonicContact OD2-NH2 3.58Å; D147-R166 PolarHBondContact OD2-NH2 3.35Å; R166-V180 HydrophobicContact CB-CG1 4.43Å; R166-V180 HydrophobicContact CG-CG1 3.75Å; R166-E181 WeakPolarHBondContact CD-O 3.05Å; R166-E181 WeakPolarHBondContact CG-O 3.23Å; R166-E181 PolarHBondContact NE-O 3.38Å; R166-E181 PolarHBondContact NH2-O 3.02Å; R166-D182 WeakPolarHBondContact CG-O 3.49Å; R166-L183 HydrophobicContact CB-CD2 4.08Å; R166-L183 HydrophobicContact CG-CD2 3.93Å; R166-L183 HydrophobicContact CG-CG 4.3Å
167N94.7Very high88.4Confident0 Ų056.8 Ų56.80%028%0.28CS..EExtended strand (participates in β ladder)trans-113.7142.3178.7-56.9-39000111.4K75 I76 V180 E181 Y184 N190K75-N167 HydrophobicContact CB-CB 4.32Å; I76-N167 CarbonylContact O-C 3.49Å; I76-N167 VanDerWaalsContact O-CA 3.22Å; I76-N167 WeakPolarHBondContact O-CA 3.43Å; N167-V180 CarbonylContact O-C 3.52Å; N167-V180 WeakPolarHBondContact O-CA 3.5Å; N167-E181 HydrophobicContact CB-CB 4.32Å; N167-E181 PolarHBondContact ND2-OE2 2.93Å; N167-E181 PolarHBondContact O-N 3.37Å; N167-Y184 VanDerWaalsContact ND2-CE1 3.32Å; N167-Y184 WeakPolarHBondContact ND2-CE1 3.45Å; N167-Y184 WeakPolarHBondContact OD1-CE1 3.45Å; N167-Y184 PolarHBondContact OD1-OH 3.38Å; N167-N190 PolarHBondContact ND2-O 2.8Å
168A93.1Very high88.4Confident0 Ų058.4 Ų58.40%029%0.291CS..EExtended strand (participates in β ladder)trans-84.7131154.700000108.8W54 L59 I76W54-A168 HydrophobicContact CE3-CB 4.44Å; L59-A168 HydrophobicContact CD1-CB 4.42Å; L59-A168 HydrophobicContact CD2-CB 3.6Å; I76-A168 PolarHBondContact N-O 3.23Å; I76-A168 PolarHBondContact O-N 3.31Å
169V91.1Very high88.3Confident4 Ų461.3 Ų61.32%0.02430%0.298CS..EExtended strand (participates in β ladder)trans-103.4119.5174.3-175.30000108.8A73 V74 K75 Y171 P178 R179 E181A73-V169 HydrophobicContact CB-CG1 4.17Å; V74-V169 WeakPolarHBondContact O-CA 3.43Å; K75-V169 HydrophobicContact CG-CG2 4.38Å; V169-Y171 HydrophobicContact CG1-CE1 4.03Å; V169-Y171 HydrophobicContact CG1-CE2 4.04Å; V169-P178 WeakPolarHBondContact O-CA 3.26Å; V169-R179 HydrophobicContact CB-CG 4.31Å; V169-R179 PolarHBondContact N-O 3.31Å; V169-R179 PolarHBondContact O-N 2.98Å; V169-E181 HydrophobicContact CG2-CB 4.37Å; V169-E181 HydrophobicContact CG2-CG 3.56Å
170L89.4Confident88.2Confident6 Ų654.1 Ų54.13%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-103138.1171.8-52.9-172.4000109.3F21 I62 P65 A73 V74 I76 P178F21-L170 HydrophobicContact CZ-CD1 4.29Å; I62-L170 HydrophobicContact CD1-CD2 4.04Å; I62-L170 HydrophobicContact CG2-CD1 3.89Å; P65-L170 HydrophobicContact CG-CD1 3.94Å; A73-L170 WeakPolarHBondContact CA-O 3.5Å; V74-L170 HydrophobicContact CG2-CB 3.9Å; V74-L170 WeakPolarHBondContact CG2-O 3.43Å; V74-L170 PolarHBondContact N-O 3.26Å; V74-L170 PolarHBondContact O-N 2.92Å; I76-L170 HydrophobicContact CD1-CD1 3.34Å; I76-L170 HydrophobicContact CD1-CG 3.66Å; I76-L170 HydrophobicContact CG1-CG 4.48Å; L170-P178 HydrophobicContact CD2-CB 3.85Å; L170-P178 HydrophobicContact CD2-CG 4.06Å
171Y87Confident88.1Confident46 Ų4654.4 Ų54.418%0.1827%0.269CS..EExtended strand (participates in β ladder)trans-105.9143.1176.9-61.3-81.5000109.8E72 A73 V169 S173 K176 L177 R179E72-Y171 WeakPolarHBondContact O-CA 3.19Å; A73-Y171 HydrophobicContact CB-CD1 3.63Å; A73-Y171 HydrophobicContact CB-CE1 3.68Å; V169-Y171 HydrophobicContact CG1-CE1 4.03Å; V169-Y171 HydrophobicContact CG1-CE2 4.04Å; Y171-S173 VanDerWaalsContact C-N 3.33Å; Y171-K176 HydrophobicContact CD1-CB 4.17Å; Y171-K176 HydrophobicContact CD1-CD 3.71Å; Y171-K176 HydrophobicContact CD2-CB 3.65Å; Y171-K176 HydrophobicContact CE1-CD 4.05Å; Y171-K176 HydrophobicContact CE2-CB 4.28Å; Y171-K176 HydrophobicContact CG-CB 3.58Å; Y171-K176 HydrophobicContact CG-CD 4.03Å; Y171-K176 HydrophobicContact CG-CG 4.46Å; Y171-L177 WeakPolarHBondContact CD2-O 3.47Å; Y171-L177 WeakPolarHBondContact CE2-O 2.97Å; Y171-R179 PolarHBondContact OH-NE 3.29Å
172H81.7Confident87.8Confident107 Ų10752.9 Ų52.950%0.49526%0.263SS..SBendtrans-69.3-35.5173.5-175.960.9000111.6W70 E72W70-H172 AromaticContact CD1-ND1 3.93Å; W70-H172 AromaticContact CD2-ND1 3.31Å; W70-H172 VanDerWaalsContact CD2-ND1 3.31Å; W70-H172 AromaticContact CE2-ND1 3.55Å; W70-H172 AromaticContact CE3-CE1 3.97Å; W70-H172 AromaticContact CE3-ND1 3.6Å; W70-H172 HydrophobicContact CG-CB 4.36Å; W70-H172 AromaticContact CG-ND1 3.6Å; W70-H172 AromaticContact NE1-ND1 3.93Å; E72-H172 PolarHBondContact O-N 2.84Å
173S78.7Confident87.8Confident42 Ų4251.8 Ų51.829%0.29426%0.258SS..SBendtrans-75.2125.2177.4-174.40000110.8Y171 K175 K176Y171-S173 VanDerWaalsContact C-N 3.33Å; S173-K175 PolarHBondContact O-N 2.99Å; S173-K175 PolarHBondContact OG-N 3.28Å; S173-K176 PolarHBondContact O-N 3.49Å; S173-K176 VanDerWaalsContact O-N 3.17Å
174P73.1Confident87.8Confident125 Ų12551.7 Ų51.781%0.81226%0.255SS*.THydrogen-bonded Turntrans-66.8-10.5177.827.6-34.8000113.2K176P174-K176 VanDerWaalsContact C-N 3.34Å
175K78.5Confident87.7Confident197 Ų19751.9 Ų51.986%0.85726%0.256SS*.THydrogen-bonded Turntrans-75-21.8176.6-63.7-175-179.8-178.80113.1S173S173-K175 PolarHBondContact O-N 2.99Å; S173-K175 PolarHBondContact OG-N 3.28Å
176K82.8Confident87.6Confident97 Ų9752 Ų5242%0.42226%0.257SS..SBendtrans-102123179.6-71.4-179-179170.40109E72 Y171 S173 P174E72-K176 IonicContact OE1-NZ 3.74Å; E72-K176 PolarHBondContact OE1-NZ 2.83Å; Y171-K176 HydrophobicContact CD1-CB 4.17Å; Y171-K176 HydrophobicContact CD1-CD 3.71Å; Y171-K176 HydrophobicContact CD2-CB 3.65Å; Y171-K176 HydrophobicContact CE1-CD 4.05Å; Y171-K176 HydrophobicContact CE2-CB 4.28Å; Y171-K176 HydrophobicContact CG-CB 3.58Å; Y171-K176 HydrophobicContact CG-CD 4.03Å; Y171-K176 HydrophobicContact CG-CG 4.46Å; S173-K176 PolarHBondContact O-N 3.49Å; S173-K176 VanDerWaalsContact O-N 3.17Å; P174-K176 VanDerWaalsContact C-N 3.34Å
177L82.4Confident87.3Confident140 Ų14058.8 Ų58.873%0.73328%0.282SS*.PPolyproline II helixtrans-74141.1178.7-70.5169.7000111Y171Y171-L177 WeakPolarHBondContact CD2-O 3.47Å; Y171-L177 WeakPolarHBondContact CE2-O 2.97Å
178P88.3Confident87.1Confident39 Ų3964.3 Ų64.325%0.25331%0.308SS..PPolyproline II helixtrans-52.8145.6167.6-27.736.7000111.9L59 V169 L170L59-P178 HydrophobicContact CB-CB 3.93Å; L59-P178 HydrophobicContact CD1-CB 4.47Å; V169-P178 WeakPolarHBondContact O-CA 3.26Å; L170-P178 HydrophobicContact CD2-CB 3.85Å; L170-P178 HydrophobicContact CD2-CG 4.06Å
179R87.3Confident86.8Confident138 Ų13867 Ų6752%0.52132%0.32SS..EExtended strand (participates in β ladder)trans-143.7162.2176.367.7175.6-176.2169.11.9111.8L59 V169 Y171L59-R179 VanDerWaalsContact CD1-C 3.49Å; V169-R179 HydrophobicContact CB-CG 4.31Å; V169-R179 PolarHBondContact N-O 3.31Å; V169-R179 PolarHBondContact O-N 2.98Å; Y171-R179 PolarHBondContact OH-NE 3.29Å
180V88.5Confident86.9Confident15 Ų1570.5 Ų70.59%0.09134%0.338CS..EExtended strand (participates in β ladder)trans-91.1132.3167-170.50000108.2P56 L59 R166 N167P56-V180 HydrophobicContact CB-CG2 4.23Å; P56-V180 HydrophobicContact CG-CG2 4Å; L59-V180 HydrophobicContact CD1-CG2 3.49Å; L59-V180 VanDerWaalsContact CD1-CG2 3.49Å; L59-V180 HydrophobicContact CG-CG2 4.43Å; R166-V180 HydrophobicContact CB-CG1 4.43Å; R166-V180 HydrophobicContact CG-CG1 3.75Å; N167-V180 CarbonylContact O-C 3.52Å; N167-V180 WeakPolarHBondContact O-CA 3.5Å
181E89.4Confident87.1Confident40 Ų4070.6 Ų70.619%0.18734%0.338CS..  trans-78.9174.1171.1-95.2-178177.400111.1K75 R166 N167 V169K75-E181 WeakPolarHBondContact CD-OE2 3.43Å; K75-E181 WeakPolarHBondContact CE-OE1 3.25Å; K75-E181 VanDerWaalsContact CE-OE2 3.29Å; K75-E181 WeakPolarHBondContact CE-OE2 3.39Å; K75-E181 VanDerWaalsContact NZ-CD 3.3Å; K75-E181 IonicContact NZ-OE1 2.69Å; K75-E181 PolarHBondContact NZ-OE1 3.15Å; K75-E181 IonicContact NZ-OE2 2.74Å; K75-E181 PolarHBondContact NZ-OE2 2.97Å; R166-E181 WeakPolarHBondContact CD-O 3.05Å; R166-E181 WeakPolarHBondContact CG-O 3.23Å; R166-E181 PolarHBondContact NE-O 3.38Å; R166-E181 PolarHBondContact NH2-O 3.02Å; N167-E181 HydrophobicContact CB-CB 4.32Å; N167-E181 PolarHBondContact ND2-OE2 2.93Å; N167-E181 PolarHBondContact O-N 3.37Å; V169-E181 HydrophobicContact CG2-CB 4.37Å; V169-E181 HydrophobicContact CG2-CG 3.56Å
182D88.3Confident87.3Confident56 Ų5670.6 Ų70.630%0.29934%0.342SS..  trans-67.8167.6177.5-143.8-31000113.6R156 R166R156-D182 IonicContact CZ-OD2 2.97Å; R156-D182 IonicContact NH1-OD2 3.58Å; R156-D182 PolarHBondContact NH1-OD2 3.33Å; R156-D182 VanDerWaalsContact NH2-CG 3.29Å; R156-D182 IonicContact NH2-OD1 3.17Å; R156-D182 IonicContact NH2-OD2 2.84Å; R156-D182 PolarHBondContact NH2-OD2 3.44Å; R166-D182 WeakPolarHBondContact CG-O 3.49Å
183L93.1Very high87.8Confident14 Ų1466.5 Ų66.57%0.07332%0.322CS..  trans-71.7140.6172.9-71.5165.4000111.1L82 L145 L148 L157 I160 A164 C165 R166L82-L183 HydrophobicContact CD1-CD1 3.82Å; L82-L183 HydrophobicContact CD1-CD2 3.86Å; L82-L183 HydrophobicContact CG-CD2 4.34Å; L145-L183 HydrophobicContact CD2-CD1 3.92Å; L148-L183 HydrophobicContact CD1-CD1 4.2Å; L157-L183 HydrophobicContact CD2-CD1 3.35Å; I160-L183 HydrophobicContact CD1-CB 4.32Å; I160-L183 HydrophobicContact CG1-CB 4.35Å; A164-L183 HydrophobicContact CB-CD2 4.28Å; C165-L183 WeakPolarHBondContact O-CA 3.43Å; R166-L183 HydrophobicContact CB-CD2 4.08Å; R166-L183 HydrophobicContact CG-CD2 3.93Å; R166-L183 HydrophobicContact CG-CG 4.3Å
184Y93.5Very high88.5Confident19 Ų1964.5 Ų64.58%0.07531%0.308CS..EExtended strand (participates in β ladder)trans-142.5162.9175.664.9-86.1000110.7A164 C165 N167 C186 E188 N190A164-Y184 CarbonylContact C-O 3.57Å; A164-Y184 WeakPolarHBondContact CA-O 3.43Å; C165-Y184 HydrophobicContact CB-CD2 4.36Å; C165-Y184 HydrophobicContact CB-CE1 4.06Å; C165-Y184 HydrophobicContact CB-CE2 3.77Å; C165-Y184 PolarHBondContact N-O 3.21Å; C165-Y184 VanDerWaalsContact O-CD1 3.28Å; C165-Y184 WeakPolarHBondContact O-CD1 3.4Å; C165-Y184 PolarHBondContact O-N 3.36Å; N167-Y184 VanDerWaalsContact ND2-CE1 3.32Å; N167-Y184 WeakPolarHBondContact ND2-CE1 3.45Å; N167-Y184 WeakPolarHBondContact OD1-CE1 3.45Å; N167-Y184 PolarHBondContact OD1-OH 3.38Å; Y184-C186 PolarHBondContact O-N 3.06Å; Y184-E188 HydrophobicContact CD2-CB 4.25Å; Y184-N190 HydrophobicContact CD2-CB 4.01Å; Y184-N190 HydrophobicContact CE2-CB 3.82Å
185S92.8Very high89.5Confident3 Ų358.5 Ų58.52%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-64124.3176.3-179.20000109.9E161 R187 E188E161-S185 WeakPolarHBondContact OE2-CB 3.46Å; E161-S185 PolarHBondContact OE2-OG 3.27Å; S185-R187 PolarHBondContact O-N 3.11Å; S185-E188 WeakPolarHBondContact O-CB 3.44Å; S185-E188 PolarHBondContact O-N 2.96Å
186C92.3Very high90.2Very high3 Ų349.1 Ų49.12%0.0223%0.229CC..G310 helixtrans-56.2-21.3178.3-70.70000113L34 P163 C165 Y184 E188 K189L34-C186 HydrophobicContact CD2-CB 4.28Å; P163-C186 VanDerWaalsContact C-SG 3.55Å; P163-C186 HydrophobicContact CB-CB 4.48Å; P163-C186 HydrophobicContact CG-CB 4.14Å; P163-C186 VanDerWaalsContact O-CB 3.25Å; P163-C186 WeakPolarHBondContact O-CB 3.36Å; P163-C186 PolarHBondContact O-N 2.97Å; P163-C186 PolarHBondContact O-SG 2.9Å; C165-C186 VanDerWaalsContact CA-SG 3.54Å; C165-C186 HydrophobicContact CB-CB 4.01Å; C165-C186 WeakPolarHBondContact CB-SG 3.41Å; C165-C186 PolarHBondContact N-SG 2.71Å; C165-C186 VanDerWaalsContact SG-CA 3.53Å; C165-C186 WeakPolarHBondContact SG-CB 3.22Å; C165-C186 CovalentContact SG-SG 2.03Å; C165-C186 PolarHBondContact SG-SG 2.75Å; Y184-C186 PolarHBondContact O-N 3.06Å; C186-E188 VanDerWaalsContact C-N 3.26Å; C186-E188 PolarHBondContact O-N 3.25Å; C186-K189 PolarHBondContact O-N 3.4Å
187R88.1Confident90.6Very high143 Ų14345.8 Ų45.854%0.5421%0.214SC..G310 helixtrans-63.5-30.4177.1-65.1179.1176.9179.1-1.6113E161 S185 K189E161-R187 IonicContact OE1-CZ 3.77Å; E161-R187 VanDerWaalsContact OE1-CZ 3.26Å; E161-R187 IonicContact OE1-NE 3.92Å; E161-R187 IonicContact OE1-NH1 2.9Å; E161-R187 PolarHBondContact OE1-NH1 3.12Å; S185-R187 PolarHBondContact O-N 3.11Å; R187-K189 PolarHBondContact O-N 2.9Å
188E89.6Confident91Very high117 Ų11739.3 Ų39.355%0.54718%0.18SC..G310 helixtrans-68.8-25.3178.8-63.6171.6-149.900112.1Y184 S185 C186 N190Y184-E188 HydrophobicContact CD2-CB 4.25Å; S185-E188 WeakPolarHBondContact O-CB 3.44Å; S185-E188 PolarHBondContact O-N 2.96Å; C186-E188 VanDerWaalsContact C-N 3.26Å; C186-E188 PolarHBondContact O-N 3.25Å; E188-N190 VanDerWaalsContact C-N 3.25Å; E188-N190 PolarHBondContact O-N 3.18Å
189K87.8Confident90.8Very high57 Ų5739.4 Ų39.425%0.24818%0.179CC..  trans50.843.7-177.4-56.2179.6-176.8-174.80112.1K24 C30 L34 C186 R187 F191K24-K189 WeakPolarHBondContact CE-O 3.33Å; K24-K189 PolarHBondContact NZ-O 2.04Å; C30-K189 PolarHBondContact O-NZ 2.77Å; C30-K189 VanDerWaalsContact O-NZ 3.17Å; L34-K189 HydrophobicContact CD1-CD 4.47Å; L34-K189 HydrophobicContact CD2-CG 4.25Å; C186-K189 PolarHBondContact O-N 3.4Å; R187-K189 PolarHBondContact O-N 2.9Å; K189-F191 HydrophobicContact CB-CD1 4.47Å; K189-F191 HydrophobicContact CB-CE1 3.87Å; K189-F191 HydrophobicContact CB-CZ 4.4Å; K189-F191 HydrophobicContact CG-CE1 4.42Å; K189-F191 PolarHBondContact O-N 2.81Å
190N92Very high90.4Very high76 Ų7639 Ų3941%0.40618%0.18SC..  trans-78.257.9-174-166.25.6000112.8N167 Y184 E188N167-N190 PolarHBondContact ND2-O 2.8Å; Y184-N190 HydrophobicContact CD2-CB 4.01Å; Y184-N190 HydrophobicContact CE2-CB 3.82Å; E188-N190 VanDerWaalsContact C-N 3.25Å; E188-N190 PolarHBondContact O-N 3.18Å
191F92.9Very high89.6Confident8 Ų839.9 Ų39.94%0.03519%0.188CC..  trans-140.5153.5178.159-93.2000110.7K24 I27 L34 L77 K189 Y193K24-F191 HydrophobicContact CB-CD2 4.18Å; K24-F191 HydrophobicContact CB-CE2 3.9Å; K24-F191 HydrophobicContact CD-CD2 4.28Å; K24-F191 HydrophobicContact CD-CE2 4.07Å; K24-F191 HydrophobicContact CD-CZ 4.41Å; K24-F191 WeakPolarHBondContact CD-O 3.39Å; K24-F191 HydrophobicContact CG-CD2 4.38Å; K24-F191 HydrophobicContact CG-CE2 3.84Å; K24-F191 HydrophobicContact CG-CZ 4.34Å; I27-F191 HydrophobicContact CD1-CE2 3.61Å; I27-F191 HydrophobicContact CD1-CZ 3.79Å; L34-F191 HydrophobicContact CD2-CE1 3.89Å; L34-F191 HydrophobicContact CD2-CZ 4.34Å; L77-F191 HydrophobicContact CB-CB 4.11Å; L77-F191 HydrophobicContact CB-CD1 4.03Å; L77-F191 HydrophobicContact CB-CD2 4.13Å; L77-F191 HydrophobicContact CB-CG 3.83Å; L77-F191 HydrophobicContact CD1-CD1 4.11Å; L77-F191 HydrophobicContact CD1-CE1 4.47Å; L77-F191 HydrophobicContact CD2-CD1 4.34Å; L77-F191 HydrophobicContact CD2-CE1 4.06Å; L77-F191 HydrophobicContact CD2-CZ 4.25Å; L77-F191 HydrophobicContact CG-CD1 4.39Å; K189-F191 HydrophobicContact CB-CD1 4.47Å; K189-F191 HydrophobicContact CB-CE1 3.87Å; K189-F191 HydrophobicContact CB-CZ 4.4Å; K189-F191 HydrophobicContact CG-CE1 4.42Å; K189-F191 PolarHBondContact O-N 2.81Å; F191-Y193 WeakPolarHBondContact CD2-O 3.28Å
192D91.9Very high88.6Confident46 Ų4640.4 Ų40.425%0.24620%0.199CC..SBendtrans-89.8-39.9175.7-62-72.5000110.8K24 K71 K75K24-D192 WeakPolarHBondContact CB-O 3.43Å; K24-D192 PolarHBondContact N-O 3.21Å; K71-D192 IonicContact NZ-OD1 3.18Å; K75-D192 PolarHBondContact N-OD2 2.83Å; K75-D192 WeakPolarHBondContact O-CB 3.23Å; K75-D192 PolarHBondContact O-N 3.36Å
193Y93.1Very high87.9Confident21 Ų2140 Ų408%0.08220%0.203CC..EExtended strand (participates in β ladder)trans-132.2159.3-177.2-65.5-94.7000111.1F21 V22 P23 M67 V74 K75 I76 L77 F191F21-Y193 HydrophobicContact CB-CD1 4.05Å; F21-Y193 HydrophobicContact CB-CG 4.48Å; V22-Y193 VanDerWaalsContact O-CA 3.3Å; V22-Y193 WeakPolarHBondContact O-CA 3.33Å; P23-Y193 VanDerWaalsContact CA-CD1 3.48Å; P23-Y193 HydrophobicContact CB-CD1 3.97Å; P23-Y193 HydrophobicContact CB-CE1 3.63Å; P23-Y193 HydrophobicContact CG-CE1 4.27Å; M67-Y193 HydrophobicContact CE-CD2 4.09Å; M67-Y193 HydrophobicContact CE-CE2 3.87Å; V74-Y193 HydrophobicContact CG1-CE2 4.35Å; K75-Y193 PolarHBondContact O-N 3.16Å; I76-Y193 CarbonylContact C-O 3.56Å; I76-Y193 VanDerWaalsContact CA-O 3.31Å; I76-Y193 WeakPolarHBondContact CA-O 3.38Å; L77-Y193 PolarHBondContact N-O 2.81Å; F191-Y193 WeakPolarHBondContact CD2-O 3.28Å
194F93.6Very high87.2Confident0 Ų039.9 Ų39.90%020%0.204CC..EExtended strand (participates in β ladder)trans-123.2163.815869.1-75.3000108.4V22 I27 L38 F41 L51 L77V22-F194 HydrophobicContact CB-CD1 3.94Å; V22-F194 HydrophobicContact CB-CE1 3.4Å; V22-F194 VanDerWaalsContact CB-CE1 3.4Å; V22-F194 HydrophobicContact CB-CE2 4.09Å; V22-F194 HydrophobicContact CB-CG 4.48Å; V22-F194 HydrophobicContact CB-CZ 3.51Å; V22-F194 HydrophobicContact CG1-CD1 4.31Å; V22-F194 HydrophobicContact CG1-CE1 3.36Å; V22-F194 HydrophobicContact CG1-CE2 4.47Å; V22-F194 HydrophobicContact CG1-CZ 3.48Å; V22-F194 VanDerWaalsContact CG1-CZ 3.48Å; V22-F194 HydrophobicContact CG2-CE1 4.46Å; V22-F194 HydrophobicContact CG2-CE2 4.35Å; V22-F194 HydrophobicContact CG2-CZ 4.11Å; V22-F194 PolarHBondContact N-O 3.13Å; V22-F194 VanDerWaalsContact O-CD1 3.28Å; V22-F194 WeakPolarHBondContact O-CD1 3.23Å; V22-F194 PolarHBondContact O-N 3.2Å; I27-F194 HydrophobicContact CD1-CD1 3.79Å; I27-F194 HydrophobicContact CD1-CE1 3.81Å; I27-F194 HydrophobicContact CG1-CD1 3.85Å; I27-F194 HydrophobicContact CG1-CE1 3.32Å; I27-F194 HydrophobicContact CG1-CZ 4.1Å; L38-F194 HydrophobicContact CB-CD2 4.39Å; L38-F194 HydrophobicContact CB-CE2 4.5Å; L38-F194 HydrophobicContact CD1-CB 4.36Å; L38-F194 HydrophobicContact CD1-CG 4.39Å; L38-F194 HydrophobicContact CD2-CD1 4.09Å; L38-F194 HydrophobicContact CD2-CD2 4.07Å; L38-F194 HydrophobicContact CD2-CE1 4.04Å; L38-F194 HydrophobicContact CD2-CE2 4Å; L38-F194 HydrophobicContact CD2-CG 4.09Å; L38-F194 HydrophobicContact CD2-CZ 3.97Å; F41-F194 AromaticContact CD1-CE2 3.71Å; F41-F194 HydrophobicContact CD1-CE2 3.71Å; F41-F194 AromaticContact CD1-CZ 3.46Å; F41-F194 HydrophobicContact CD1-CZ 3.46Å; F41-F194 VanDerWaalsContact CD1-CZ 3.46Å; F41-F194 HydrophobicContact CE1-CE2 4.21Å; F41-F194 AromaticContact CE1-CZ 3.67Å; F41-F194 HydrophobicContact CE1-CZ 3.67Å; F41-F194 HydrophobicContact CG-CE2 4.35Å; F41-F194 AromaticContact CG-CZ 3.97Å; F41-F194 HydrophobicContact CG-CZ 3.97Å; F41-F194 HydrophobicContact CZ-CZ 4.3Å; L51-F194 HydrophobicContact CD1-CB 4.35Å; L51-F194 HydrophobicContact CD1-CD2 3.83Å; L77-F194 HydrophobicContact CB-CB 4.1Å; L77-F194 HydrophobicContact CD2-CB 4.42Å
195A93.5Very high86.7Confident0 Ų044.3 Ų44.30%023%0.225CC..EExtended strand (participates in β ladder)trans-120135.3-174.900000111.6V19 S20 F21 M52 W54 I76V19-A195 HydrophobicContact CG1-CB 3.84Å; S20-A195 WeakPolarHBondContact O-CA 3.48Å; F21-A195 HydrophobicContact CD1-CB 3.85Å; F21-A195 HydrophobicContact CE1-CB 3.94Å; M52-A195 HydrophobicContact CB-CB 3.81Å; M52-A195 WeakPolarHBondContact CB-O 3.29Å; M52-A195 HydrophobicContact CG-CB 4.49Å; M52-A195 PolarHBondContact N-O 2.6Å; W54-A195 HydrophobicContact CH2-CB 3.39Å; W54-A195 HydrophobicContact CZ2-CB 4.13Å; W54-A195 HydrophobicContact CZ3-CB 4.25Å; I76-A195 HydrophobicContact CG2-CB 4.2Å
196C93.1Very high86.3Confident0 Ų046.1 Ų46.10%023%0.233CC..EExtended strand (participates in β ladder)trans-108.5120.6170.5-60.20000109V19 S20 C42 F46 H50 H198V19-C196 CarbonylContact C-O 3.56Å; V19-C196 WeakPolarHBondContact CA-O 3.3Å; S20-C196 PolarHBondContact N-O 3.31Å; S20-C196 PolarHBondContact O-N 2.67Å; C42-C196 WeakPolarHBondContact CA-SG 3.49Å; C42-C196 HydrophobicContact CB-CB 3.69Å; C42-C196 WeakPolarHBondContact CB-SG 3.07Å; C42-C196 VanDerWaalsContact SG-CA 3.53Å; C42-C196 WeakPolarHBondContact SG-CB 3.31Å; C42-C196 CovalentContact SG-SG 2.04Å; C42-C196 PolarHBondContact SG-SG 2.97Å; F46-C196 HydrophobicContact CD2-CB 3.64Å; F46-C196 HydrophobicContact CE2-CB 3.65Å; F46-C196 HydrophobicContact CG-CB 4.5Å; F46-C196 HydrophobicContact CZ-CB 4.5Å; H50-C196 CarbonylContact O-C 3.35Å; H50-C196 VanDerWaalsContact O-CA 3.3Å; H50-C196 WeakPolarHBondContact O-CA 3.08Å; C196-H198 PolarHBondContact O-CD2 3.39Å
197E91.9Very high86Confident27 Ų2751 Ų5113%0.12626%0.255CS..EExtended strand (participates in β ladder)trans-84.7131.5165.6-173.4-174.1-124.200109.1K17 C18 V19 G49 H50 M52 K113K17-E197 HydrophobicContact CB-CG 4.02Å; C18-E197 CarbonylContact O-C 3.46Å; C18-E197 VanDerWaalsContact O-CA 3.31Å; C18-E197 WeakPolarHBondContact O-CA 3.43Å; V19-E197 HydrophobicContact CG2-CB 4.29Å; V19-E197 HydrophobicContact CG2-CG 4.26Å; G49-E197 CarbonylContact C-O 3.57Å; G49-E197 VanDerWaalsContact CA-O 3.31Å; G49-E197 WeakPolarHBondContact CA-O 3.4Å; H50-E197 PolarHBondContact N-O 3.27Å; H50-E197 PolarHBondContact O-N 3.34Å; M52-E197 HydrophobicContact CB-CB 4.21Å; M52-E197 HydrophobicContact CG-CB 4.38Å; M52-E197 HydrophobicContact SD-CB 3.68Å; M52-E197 HydrophobicContact SD-CG 4.2Å; K113-E197 WeakPolarHBondContact CE-OE2 3.3Å; K113-E197 IonicContact NZ-OE2 3.08Å; K113-E197 PolarHBondContact NZ-OE2 2.87Å
198H89.7Confident86.1Confident4 Ų448.1 Ų48.12%0.01925%0.247CC..EExtended strand (participates in β ladder)trans-152.8171.3-178.160.988.8000111.8C18 S20 F46 C196C18-H198 WeakPolarHBondContact CB-CE1 3.36Å; C18-H198 PolarHBondContact N-O 2.69Å; C18-H198 PolarHBondContact O-N 3.29Å; S20-H198 PolarHBondContact OG-NE2 3.23Å; F46-H198 HydrophobicContact CB-CB 3.49Å; F46-H198 VanDerWaalsContact CB-CB 3.49Å; F46-H198 AromaticContact CD1-CD2 3.4Å; F46-H198 WeakPolarHBondContact CD1-CD2 3.31Å; F46-H198 AromaticContact CD1-CE1 3.7Å; F46-H198 AromaticContact CD1-CG 3.79Å; F46-H198 AromaticContact CD1-ND1 3.95Å; F46-H198 AromaticContact CD1-NE2 3.36Å; F46-H198 WeakPolarHBondContact CD1-NE2 3.37Å; F46-H198 AromaticContact CE1-CD2 3.95Å; F46-H198 AromaticContact CE1-NE2 3.61Å; F46-H198 HydrophobicContact CG-CB 4.24Å; F46-H198 AromaticContact CG-CD2 3.6Å; F46-H198 AromaticContact CG-CG 3.85Å; C196-H198 PolarHBondContact O-CD2 3.39Å
199N83.5Confident86Confident40 Ų4044.5 Ų44.521%0.21423%0.23CC..PPolyproline II helixtrans-70.8154.2171.6-73.7-20.8000111.9K17 S47 E48 S201K17-N199 VanDerWaalsContact CD-OD1 3.24Å; K17-N199 WeakPolarHBondContact CD-OD1 3.5Å; K17-N199 WeakPolarHBondContact CE-OD1 3.37Å; K17-N199 PolarHBondContact NZ-OD1 2.71Å; S47-N199 PolarHBondContact O-N 3.35Å; E48-N199 PolarHBondContact OE2-ND2 2.99Å; N199-S201 PolarHBondContact O-N 2.83Å; N199-S201 VanDerWaalsContact O-N 3.16Å
200K79.2Confident86.1Confident129 Ų12951 Ų5156%0.56125%0.253SS*.PPolyproline II helixtrans-54.1125.3165.5-73.8177.2-178.6177.10108.3G16 C18 A202G16-K200 WeakPolarHBondContact O-CE 3.31Å; C18-K200 VanDerWaalsContact SG-CG 3.52Å; K200-A202 PolarHBondContact O-N 2.92Å
201S71.6Confident85.8Confident35 Ų3552.4 Ų52.425%0.24526%0.257CS..PPolyproline II helixtrans-63.2130.6173-67.30000108.7N199 A203N199-S201 PolarHBondContact O-N 2.83Å; N199-S201 VanDerWaalsContact O-N 3.16Å; S201-A203 PolarHBondContact O-N 3.28Å
202A68.8Low85.5Confident50 Ų5053.6 Ų53.641%0.41327%0.266SS..PPolyproline II helixtrans-57.2134.1177.400000109.9K200 V230 G233K200-A202 PolarHBondContact O-N 2.92Å; A202-V230 HydrophobicContact CB-CG1 3.78Å; A202-G233 PolarHBondContact O-N 2.86Å
203A73.2Confident85.1Confident48 Ų4853.1 Ų53.140%0.39726%0.262SS..PPolyproline II helixtrans-72.2144.5168.300000108.3S201 E205S201-A203 PolarHBondContact O-N 3.28Å; A203-E205 PolarHBondContact O-N 2.92Å
204C79.5Confident84.5Confident12 Ų1254.8 Ų54.88%0.08127%0.269CS..PPolyproline II helixtrans-63.8125.3174.1175.30000110.4V230 P232 R237 C239C204-V230 WeakPolarHBondContact CA-O 3.12Å; C204-P232 HydrophobicContact CB-CB 3.89Å; C204-P232 HydrophobicContact CB-CG 4.16Å; C204-R237 PolarHBondContact N-O 2.7Å; C204-C239 HydrophobicContact CB-CB 3.82Å; C204-C239 WeakPolarHBondContact CB-SG 3.36Å; C204-C239 WeakPolarHBondContact SG-CA 3.13Å; C204-C239 WeakPolarHBondContact SG-CB 3.47Å; C204-C239 CovalentContact SG-SG 2.03Å; C204-C239 PolarHBondContact SG-SG 2.77Å
205E81.9Confident84Confident112 Ų11255.8 Ų55.852%0.52327%0.274SS..EExtended strand (participates in β ladder)trans-111.1130.6172.9-64.7-176.9-173.600109.3A203 I229 V230A203-E205 PolarHBondContact O-N 2.92Å; E205-I229 HydrophobicContact CB-CB 4.49Å; E205-I229 PolarHBondContact O-N 2.81Å; E205-V230 HydrophobicContact CB-CB 3.96Å; E205-V230 HydrophobicContact CB-CG2 4.07Å; E205-V230 HydrophobicContact CG-CB 4.29Å; E205-V230 HydrophobicContact CG-CG2 4.33Å; E205-V230 PolarHBondContact N-O 3.2Å; E205-V230 PolarHBondContact O-N 2.81Å; E205-V230 VanDerWaalsContact O-N 3.14Å
206M84Confident83.2Confident40 Ų4062 Ų6220%0.19730%0.302CS..EExtended strand (participates in β ladder)trans-136.7143.7-17932167.64200111.3Y226 K227 I228 C239 P240M206-Y226 HydrophobicContact SD-CD1 4.38Å; M206-K227 CarbonylContact C-O 3.54Å; M206-K227 VanDerWaalsContact CA-O 3.28Å; M206-K227 WeakPolarHBondContact CA-O 3.33Å; M206-I228 HydrophobicContact CE-CG1 4.03Å; M206-C239 HydrophobicContact CE-CB 3.61Å; M206-C239 HydrophobicContact SD-CB 3.91Å; M206-P240 HydrophobicContact CG-CG 4.22Å; M206-P240 HydrophobicContact SD-CB 4.08Å; M206-P240 HydrophobicContact SD-CG 4.12Å
207K87.3Confident82.5Confident107 Ų10769.8 Ų69.847%0.46534%0.338SS..EExtended strand (participates in β ladder)trans-99.6126175.1-165.8-177.1174.8-149.90109.5E209 Y226 K227 I229K207-E209 IonicContact NZ-OE1 2.87Å; K207-E209 PolarHBondContact NZ-OE1 2.97Å; K207-Y226 WeakPolarHBondContact O-CA 3.31Å; K207-K227 PolarHBondContact N-O 2.62Å; K207-K227 PolarHBondContact O-N 3.21Å; K207-I229 HydrophobicContact CB-CD1 3.89Å; K207-I229 HydrophobicContact CB-CG1 4.28Å
208E89.4Confident82Confident82 Ų8272 Ų7238%0.38335%0.348SS..EExtended strand (participates in β ladder)trans-85.9128171.1-176.6174.7119.100109.3F224 Y226 K243E208-F224 HydrophobicContact CG-CB 4.48Å; E208-F224 HydrophobicContact CG-CD1 3.7Å; E208-F224 HydrophobicContact CG-CE1 4.39Å; E208-F224 HydrophobicContact CG-CG 4.43Å; E208-F224 WeakPolarHBondContact OE1-CD1 3.04Å; E208-F224 VanDerWaalsContact OE1-CE1 3.27Å; E208-F224 WeakPolarHBondContact OE1-CE1 3.35Å; E208-Y226 HydrophobicContact CB-CD1 4.15Å; E208-Y226 HydrophobicContact CB-CE1 3.77Å; E208-Y226 HydrophobicContact CG-CD1 4.41Å; E208-Y226 HydrophobicContact CG-CE1 3.71Å; E208-Y226 WeakPolarHBondContact OE2-CE1 3.3Å; E208-Y226 PolarHBondContact OE2-OH 3.07Å; E208-K243 VanDerWaalsContact CD-NZ 3.33Å; E208-K243 IonicContact OE1-NZ 2.73Å; E208-K243 PolarHBondContact OE1-NZ 2.93Å; E208-K243 IonicContact OE2-NZ 2.8Å; E208-K243 PolarHBondContact OE2-NZ 3.3Å
209E88.6Confident81.7Confident41 Ų4177.5 Ų77.519%0.19238%0.377CS..EExtended strand (participates in β ladder)trans-123.2129.2173.3-68-179.916800108.8K207 E211 F224 K225 K227K207-E209 IonicContact NZ-OE1 2.87Å; K207-E209 PolarHBondContact NZ-OE1 2.97Å; E209-E211 PolarHBondContact O-N 2.81Å; E209-F224 WeakPolarHBondContact O-CA 3.25Å; E209-K225 HydrophobicContact CB-CB 4.49Å; E209-K225 PolarHBondContact N-O 3.31Å; E209-K225 PolarHBondContact O-N 2.02Å; E209-K227 IonicContact OE1-NZ 2.73Å; E209-K227 WeakPolarHBondContact OE2-CE 2.95Å; E209-K227 IonicContact OE2-NZ 2.73Å; E209-K227 PolarHBondContact OE2-NZ 3.24Å
210R89Confident81.8Confident193 Ų19378 Ų7873%0.72838%0.38SS*.EExtended strand (participates in β ladder)trans-87.989179.4-167.3-179.5-177.2-165.90.5109.4L223 F224R210-L223 CarbonylContact C-O 3.54Å; R210-L223 HydrophobicContact CG-CD1 4.21Å; R210-L223 HydrophobicContact CG-CG 4.1Å; R210-F224 HydrophobicContact CB-CD1 4.4Å; R210-F224 HydrophobicContact CB-CE1 4.25Å; R210-F224 HydrophobicContact CG-CD1 4.41Å; R210-F224 HydrophobicContact CG-CE1 4.02Å
211E85.7Confident82.2Confident105 Ų10571.9 Ų71.949%0.49135%0.354SS..EExtended strand (participates in β ladder)trans-148124.7-178.8-174.4-177.1-169.400109E209 H213 L223E209-E211 PolarHBondContact O-N 2.81Å; E211-H213 PolarHBondContact O-N 2.75Å; E211-H213 PolarHBondContact O-ND1 3.06Å; E211-L223 CarbonylContact C-O 3.6Å; E211-L223 VanDerWaalsContact C-O 3.25Å; E211-L223 PolarHBondContact N-O 3.41Å; E211-L223 CarbonylContact O-C 3.11Å
212C86.5Confident83.1Confident34 Ų3471.2 Ų71.223%0.2335%0.346CS..EExtended strand (participates in β ladder)trans-68.4121.1178.4-172.60000110.3R222 C247 E248C212-R222 WeakPolarHBondContact CA-O 3.32Å; C212-C247 WeakPolarHBondContact CA-SG 3.37Å; C212-C247 HydrophobicContact CB-CB 3.87Å; C212-C247 WeakPolarHBondContact CB-SG 3.33Å; C212-C247 WeakPolarHBondContact SG-CB 3.47Å; C212-C247 CovalentContact SG-SG 2.02Å; C212-C247 PolarHBondContact SG-SG 3.39Å; C212-E248 PolarHBondContact SG-O 2.8Å
213H83.4Confident84.1Confident35 Ų3570.1 Ų70.116%0.16233%0.333CS..EExtended strand (participates in β ladder)trans-142.1154.5-178.673.7-67000110.7E211 N215 C221 R222 F224E211-H213 PolarHBondContact O-N 2.75Å; E211-H213 PolarHBondContact O-ND1 3.06Å; H213-N215 PolarHBondContact O-N 3.2Å; H213-C221 CarbonylContact O-C 3.57Å; H213-C221 VanDerWaalsContact O-CA 3.24Å; H213-C221 WeakPolarHBondContact O-CA 3.24Å; H213-R222 PolarHBondContact N-O 3.41Å; H213-R222 PolarHBondContact ND1-O 2.85Å; H213-R222 VanDerWaalsContact ND1-O 3.15Å; H213-R222 PolarHBondContact O-N 2.89Å; H213-F224 PolarHBondContact CE1-O 2.98Å
214Y81.2Confident84.7Confident56 Ų5669 Ų6922%0.2232%0.319CS..EExtended strand (participates in β ladder)trans-76.2123.2174.7-178.8-100.1000110.4N219Y214-N219 PolarHBondContact OH-OD1 2.93Å
215N82.3Confident84.9Confident22 Ų2269.1 Ų69.112%0.11832%0.318CS..EExtended strand (participates in β ladder)trans-106.1114.4177.6-174.4-30.2000110.2H213 Q217 H218 N219 D220 R222H213-N215 PolarHBondContact O-N 3.2Å; N215-Q217 VanDerWaalsContact C-N 3.32Å; N215-Q217 PolarHBondContact O-N 2.83Å; N215-Q217 WeakPolarHBondContact OD1-CB 3.37Å; N215-Q217 PolarHBondContact OD1-N 2.85Å; N215-H218 PolarHBondContact O-N 3.13Å; N215-N219 PolarHBondContact O-N 3.39Å; N215-D220 PolarHBondContact N-O 2.94Å; N215-D220 PolarHBondContact O-N 3.25Å; N215-R222 HydrophobicContact CB-CG 3.87Å
216K77.9Confident85Confident131 Ų13165.1 Ų65.157%0.5730%0.299SS*.THydrogen-bonded Turntrans-61.2-35.1-179.3-173-179.3177.2-173.90113.4H218 N219K216-H218 VanDerWaalsContact C-N 3.26Å; K216-H218 PolarHBondContact O-N 2.03Å; K216-N219 PolarHBondContact O-N 2.99Å
217Q78.5Confident84.9Confident162 Ų16266.4 Ų66.476%0.75730%0.303SS*.THydrogen-bonded Turntrans-64.5-33.7-178.4-67.5172.6-19.700111.9N215N215-Q217 VanDerWaalsContact C-N 3.32Å; N215-Q217 PolarHBondContact O-N 2.83Å; N215-Q217 WeakPolarHBondContact OD1-CB 3.37Å; N215-Q217 PolarHBondContact OD1-N 2.85Å
218H80.3Confident84.6Confident73 Ų7363.3 Ų63.334%0.33829%0.291SS..THydrogen-bonded Turntrans-100.8-4178.2-63.5-75.5000113.7N215 K216 D220 R222 E244N215-H218 PolarHBondContact O-N 3.13Å; K216-H218 VanDerWaalsContact C-N 3.26Å; K216-H218 PolarHBondContact O-N 2.03Å; H218-D220 PolarHBondContact O-N 2.96Å; H218-R222 PolarHBondContact CE1-NH2 2.9Å; H218-R222 PolarHBondContact ND1-NH2 2.86Å; H218-E244 IonicContact CE1-OE1 2.69Å; H218-E244 IonicContact CE1-OE2 3.48Å
219N83Confident84.1Confident120 Ų12064.3 Ų64.364%0.64230%0.298SS*.THydrogen-bonded Turntrans52.932.1-175.3-165.433.2000113.7Y214 N215 K216Y214-N219 PolarHBondContact OH-OD1 2.93Å; N215-N219 PolarHBondContact O-N 3.39Å; K216-N219 PolarHBondContact O-N 2.99Å
220D87Confident83.4Confident50 Ų5064.4 Ų64.427%0.26730%0.302SS..EExtended strand (participates in β ladder)trans-156167.5-174.1-159-3.3000110.9N215 H218 K246N215-D220 PolarHBondContact N-O 2.94Å; N215-D220 PolarHBondContact O-N 3.25Å; H218-D220 PolarHBondContact O-N 2.96Å; D220-K246 WeakPolarHBondContact OD2-CD 3.22Å; D220-K246 VanDerWaalsContact OD2-CE 3.31Å; D220-K246 WeakPolarHBondContact OD2-CE 3.31Å; D220-K246 IonicContact OD2-NZ 2.71Å; D220-K246 PolarHBondContact OD2-NZ 2.86Å
221C88.2Confident82.6Confident2 Ų257 Ų571%0.01428%0.278CS..EExtended strand (participates in β ladder)trans-85.8136.1179-70.70000113.5H213 K246 C247 C249H213-C221 CarbonylContact O-C 3.57Å; H213-C221 VanDerWaalsContact O-CA 3.24Å; H213-C221 WeakPolarHBondContact O-CA 3.24Å; C221-K246 WeakPolarHBondContact O-CA 3.17Å; C221-C247 WeakPolarHBondContact CB-O 3.42Å; C221-C247 PolarHBondContact O-N 2.82Å; C221-C249 HydrophobicContact CB-CB 4.02Å; C221-C249 WeakPolarHBondContact CB-SG 2.89Å; C221-C249 WeakPolarHBondContact SG-CA 2.96Å; C221-C249 WeakPolarHBondContact SG-CB 2.98Å; C221-C249 CovalentContact SG-SG 2.02Å; C221-C249 PolarHBondContact SG-SG 3.1Å
222R89.5Confident82Confident20 Ų2054.3 Ų54.38%0.07527%0.27CS..EExtended strand (participates in β ladder)trans-123.7141.4-177.1-58.2-59-166162.713.3111C212 H213 N215 H218 E244 E245 K246 C247C212-R222 WeakPolarHBondContact CA-O 3.32Å; H213-R222 PolarHBondContact N-O 3.41Å; H213-R222 PolarHBondContact ND1-O 2.85Å; H213-R222 VanDerWaalsContact ND1-O 3.15Å; H213-R222 PolarHBondContact O-N 2.89Å; N215-R222 HydrophobicContact CB-CG 3.87Å; H218-R222 PolarHBondContact CE1-NH2 2.9Å; H218-R222 PolarHBondContact ND1-NH2 2.86Å; R222-E244 PolarHBondContact NH1-O 2.81Å; R222-E244 IonicContact NH2-OE2 2.75Å; R222-E244 PolarHBondContact NH2-OE2 2.76Å; R222-E245 WeakPolarHBondContact CA-O 3.27Å; R222-K246 VanDerWaalsContact NH1-CG 3.27Å; R222-C247 PolarHBondContact O-SG 3.32Å; R222-C247 VanDerWaalsContact O-SG 3.35Å
223L89.9Confident81.1Confident28 Ų2853.8 Ų53.815%0.14727%0.271CS..EExtended strand (participates in β ladder)trans-73.1-29.7-175.5-177.262.7000113.2R210 E211 E245 C247R210-L223 CarbonylContact C-O 3.54Å; R210-L223 HydrophobicContact CG-CD1 4.21Å; R210-L223 HydrophobicContact CG-CG 4.1Å; E211-L223 CarbonylContact C-O 3.6Å; E211-L223 VanDerWaalsContact C-O 3.25Å; E211-L223 PolarHBondContact N-O 3.41Å; E211-L223 CarbonylContact O-C 3.11Å; L223-E245 HydrophobicContact CB-CB 4.33Å; L223-E245 HydrophobicContact CD2-CG 4.35Å; L223-E245 PolarHBondContact N-O 2.87Å; L223-C247 HydrophobicContact CB-CB 4.28Å; L223-C247 HydrophobicContact CD1-CB 4.4Å; L223-C247 PolarHBondContact N-SG 2.83Å; L223-C247 VanDerWaalsContact N-SG 3.43Å
224F86.5Confident80.4Confident23 Ų2357 Ų5710%0.10128%0.284CS..EExtended strand (participates in β ladder)trans-108.5121.8-176.5-65-76.4000110.6E208 E209 R210 H213 Y226 K243 E245E208-F224 HydrophobicContact CG-CB 4.48Å; E208-F224 HydrophobicContact CG-CD1 3.7Å; E208-F224 HydrophobicContact CG-CE1 4.39Å; E208-F224 HydrophobicContact CG-CG 4.43Å; E208-F224 WeakPolarHBondContact OE1-CD1 3.04Å; E208-F224 VanDerWaalsContact OE1-CE1 3.27Å; E208-F224 WeakPolarHBondContact OE1-CE1 3.35Å; E209-F224 WeakPolarHBondContact O-CA 3.25Å; R210-F224 HydrophobicContact CB-CD1 4.4Å; R210-F224 HydrophobicContact CB-CE1 4.25Å; R210-F224 HydrophobicContact CG-CD1 4.41Å; R210-F224 HydrophobicContact CG-CE1 4.02Å; H213-F224 PolarHBondContact CE1-O 2.98Å; F224-Y226 HydrophobicContact CB-CE2 3.67Å; F224-K243 HydrophobicContact CD2-CB 3.91Å; F224-K243 HydrophobicContact CD2-CD 4.19Å; F224-K243 HydrophobicContact CE2-CB 4.35Å; F224-K243 HydrophobicContact CE2-CD 4.03Å; F224-K243 HydrophobicContact CZ-CD 4.31Å; F224-E245 HydrophobicContact CD2-CB 4.24Å; F224-E245 HydrophobicContact CE2-CB 4.11Å; F224-E245 WeakPolarHBondContact CE2-OE2 3.4Å
225K83.8Confident79.8Confident15 Ų1555.7 Ų55.77%0.06528%0.28CS..EExtended strand (participates in β ladder)trans-98.1131.2171.6-173.3175.2176.8-178.20108.7E209 E294E209-K225 HydrophobicContact CB-CB 4.49Å; E209-K225 PolarHBondContact N-O 3.31Å; E209-K225 PolarHBondContact O-N 2.02Å; K225-E294 IonicContact NZ-OE2 2.72Å; K225-E294 PolarHBondContact NZ-OE2 2.89Å
226Y83.3Confident78.9Confident28 Ų2855.6 Ų55.611%0.1128%0.284CS..EExtended strand (participates in β ladder)trans-111.9122.3179.2-65.8-83.7000110.1M206 K207 E208 F224 Q242 K243M206-Y226 HydrophobicContact SD-CD1 4.38Å; K207-Y226 WeakPolarHBondContact O-CA 3.31Å; E208-Y226 HydrophobicContact CB-CD1 4.15Å; E208-Y226 HydrophobicContact CB-CE1 3.77Å; E208-Y226 HydrophobicContact CG-CD1 4.41Å; E208-Y226 HydrophobicContact CG-CE1 3.71Å; E208-Y226 WeakPolarHBondContact OE2-CE1 3.3Å; E208-Y226 PolarHBondContact OE2-OH 3.07Å; F224-Y226 HydrophobicContact CB-CE2 3.67Å; Y226-Q242 HydrophobicContact CD1-CG 4.41Å; Y226-Q242 HydrophobicContact CD2-CB 3.71Å; Y226-Q242 HydrophobicContact CD2-CG 3.51Å; Y226-Q242 HydrophobicContact CE2-CB 3.51Å; Y226-Q242 HydrophobicContact CE2-CG 3.83Å; Y226-Q242 HydrophobicContact CG-CB 4.46Å; Y226-Q242 HydrophobicContact CG-CG 3.84Å; Y226-K243 WeakPolarHBondContact OH-CB 3.34Å; Y226-K243 WeakPolarHBondContact OH-CG 3.39Å; Y226-K243 PolarHBondContact OH-N 2.79Å
227K81.8Confident78.4Confident68 Ų6856.6 Ų56.630%0.29628%0.284SS..EExtended strand (participates in β ladder)trans-107121.9173.4-73.8175.1179.4157.10109.3M206 K207 E209 I229M206-K227 CarbonylContact C-O 3.54Å; M206-K227 VanDerWaalsContact CA-O 3.28Å; M206-K227 WeakPolarHBondContact CA-O 3.33Å; K207-K227 PolarHBondContact N-O 2.62Å; K207-K227 PolarHBondContact O-N 3.21Å; E209-K227 IonicContact OE1-NZ 2.73Å; E209-K227 WeakPolarHBondContact OE2-CE 2.95Å; E209-K227 IonicContact OE2-NZ 2.73Å; E209-K227 PolarHBondContact OE2-NZ 3.24Å; K227-I229 PolarHBondContact O-N 3.39Å
228I80.6Confident78.2Confident41 Ų4153.5 Ų53.521%0.2128%0.278CS..EExtended strand (participates in β ladder)trans-76.1119.4175.7-64.6172.4000107.8M206 V230 P231 V267 V298M206-I228 HydrophobicContact CE-CG1 4.03Å; I228-V230 WeakPolarHBondContact CG2-O 3.42Å; I228-P231 HydrophobicContact CG2-CB 4.45Å; I228-V267 HydrophobicContact CG2-CG2 4.36Å; I228-V298 HydrophobicContact CB-CG2 4.08Å; I228-V298 HydrophobicContact CD1-CG2 3.43Å; I228-V298 VanDerWaalsContact CD1-CG2 3.43Å; I228-V298 HydrophobicContact CG1-CG2 4.32Å; I228-V298 HydrophobicContact CG2-CG2 3.91Å
229I79.5Confident78Confident103 Ų10351.9 Ų51.953%0.52827%0.274SS..EExtended strand (participates in β ladder)trans-87.5-48.4176.3-59.1167.8000108.8E205 K207 K227E205-I229 HydrophobicContact CB-CB 4.49Å; E205-I229 PolarHBondContact O-N 2.81Å; K207-I229 HydrophobicContact CB-CD1 3.89Å; K207-I229 HydrophobicContact CB-CG1 4.28Å; K227-I229 PolarHBondContact O-N 3.39Å
230V73.8Confident77.9Confident44 Ų4449.9 Ų49.927%0.26727%0.268SS..EExtended strand (participates in β ladder)trans-122.5116.8178.6-175.40000108.1A202 C204 E205 I228A202-V230 HydrophobicContact CB-CG1 3.78Å; C204-V230 WeakPolarHBondContact CA-O 3.12Å; E205-V230 HydrophobicContact CB-CB 3.96Å; E205-V230 HydrophobicContact CB-CG2 4.07Å; E205-V230 HydrophobicContact CG-CB 4.29Å; E205-V230 HydrophobicContact CG-CG2 4.33Å; E205-V230 PolarHBondContact N-O 3.2Å; E205-V230 PolarHBondContact O-N 2.81Å; E205-V230 VanDerWaalsContact O-N 3.14Å; I228-V230 WeakPolarHBondContact CG2-O 3.42Å
231P71.5Confident77.6Confident36 Ų3654.2 Ų54.223%0.23430%0.297CS..PPolyproline II helixtrans-68.1148.3177.528.8-33.8000111.1I228 G233 V298I228-P231 HydrophobicContact CG2-CB 4.45Å; P231-G233 PolarHBondContact O-N 2.71Å; P231-V298 HydrophobicContact CB-CB 4.49Å; P231-V298 HydrophobicContact CB-CG1 3.35Å; P231-V298 HydrophobicContact CB-CG2 4.32Å; P231-V298 HydrophobicContact CG-CG1 4.48Å
232P73.1Confident77.3Confident50 Ų5057.6 Ų57.633%0.32531%0.312SS..PPolyproline II helixtrans-63.9132.7174.824.2-29.2000110.2C204 R237C204-P232 HydrophobicContact CB-CB 3.89Å; C204-P232 HydrophobicContact CB-CG 4.16Å; P232-R237 WeakPolarHBondContact CB-O 3.08Å
233G66.9Low76.9Confident23 Ų2362 Ų6224%0.23733%0.332CS..PPolyproline II helixtrans-63.6161.1167.200000111.3A202 P231 Q235 G236A202-G233 PolarHBondContact O-N 2.86Å; P231-G233 PolarHBondContact O-N 2.71Å; G233-Q235 PolarHBondContact O-N 2.81Å; G233-Q235 VanDerWaalsContact O-N 3.07Å; G233-G236 WeakPolarHBondContact O-CA 3.46Å; G233-G236 PolarHBondContact O-N 2.94Å
234K69.5Low76.5Confident103 Ų10366.3 Ų66.345%0.44835%0.351SS..THydrogen-bonded Turntrans-52.5-36-180-160-158.6-153.5162.70113.4E45E45-K234 IonicContact OE1-NZ 3.16Å; E45-K234 PolarHBondContact OE1-NZ 3.43Å; E45-K234 IonicContact OE2-NZ 3.8Å; E45-K234 PolarHBondContact OE2-NZ 3.1Å
235Q68.7Low76.6Confident27 Ų2770.3 Ų70.313%0.12637%0.37CS..THydrogen-bonded Turntrans-107.88.9177.2-49.4-63.8-500112.1L6 K7 F46 G233L6-Q235 HydrophobicContact CD2-CB 4.4Å; K7-Q235 VanDerWaalsContact CB-OE1 3.25Å; F46-Q235 HydrophobicContact CD1-CG 4.03Å; F46-Q235 HydrophobicContact CE1-CG 3.95Å; G233-Q235 PolarHBondContact O-N 2.81Å; G233-Q235 VanDerWaalsContact O-N 3.07Å
236G62.8Low76.9Confident20 Ų2075.8 Ų75.821%0.20639%0.394CS..SBendtrans-79.1167.5-179.600000111.9G233G233-G236 WeakPolarHBondContact O-CA 3.46Å; G233-G236 PolarHBondContact O-N 2.94Å
237R69.3Low77.2Confident152 Ų15275.9 Ų75.957%0.57440%0.398SS*.PPolyproline II helixtrans-69.1138.2175-68.1-176.9-177.9-175.1-0110C204 P232C204-R237 PolarHBondContact N-O 2.7Å; P232-R237 WeakPolarHBondContact CB-O 3.08Å
238P72.6Confident77.4Confident98 Ų9881.5 Ų81.564%0.63643%0.426SS*.PPolyproline II helixtrans-62.1159.9174.627.9-34.2000110.6
239C75.9Confident77.5Confident38 Ų3882.2 Ų82.226%0.25743%0.434SS..PPolyproline II helixtrans-61.6145.6175.7-56.60000111.4C204 M206C204-C239 HydrophobicContact CB-CB 3.82Å; C204-C239 WeakPolarHBondContact CB-SG 3.36Å; C204-C239 WeakPolarHBondContact SG-CA 3.13Å; C204-C239 WeakPolarHBondContact SG-CB 3.47Å; C204-C239 CovalentContact SG-SG 2.03Å; C204-C239 PolarHBondContact SG-SG 2.77Å; M206-C239 HydrophobicContact CE-CB 3.61Å; M206-C239 HydrophobicContact SD-CB 3.91Å
240P81.2Confident77.6Confident79 Ų7980.6 Ų80.651%0.51343%0.43SS..PPolyproline II helixtrans-48.8145170-26.631.9000112.6M206 Q242M206-P240 HydrophobicContact CG-CG 4.22Å; M206-P240 HydrophobicContact SD-CB 4.08Å; M206-P240 HydrophobicContact SD-CG 4.12Å; P240-Q242 PolarHBondContact O-N 3.24Å
241T80.5Confident78Confident140 Ų14079 Ų7986%0.85942%0.42SS*.PPolyproline II helixtrans-62.1132.3176.3-44.20000110.2
242Q82.7Confident78.3Confident74 Ų7480.1 Ų80.135%0.34643%0.43SS..PPolyproline II helixtrans-78.5143.9-179.2-63.3-178.11200110.7Y226 P240Y226-Q242 HydrophobicContact CD1-CG 4.41Å; Y226-Q242 HydrophobicContact CD2-CB 3.71Å; Y226-Q242 HydrophobicContact CD2-CG 3.51Å; Y226-Q242 HydrophobicContact CE2-CB 3.51Å; Y226-Q242 HydrophobicContact CE2-CG 3.83Å; Y226-Q242 HydrophobicContact CG-CB 4.46Å; Y226-Q242 HydrophobicContact CG-CG 3.84Å; P240-Q242 PolarHBondContact O-N 3.24Å
243K81.9Confident78.5Confident111 Ų11178.1 Ų78.148%0.48342%0.418SS..PPolyproline II helixtrans-74.8136.8172-62.3170.3-171.5153.90109.5E208 F224 Y226E208-K243 VanDerWaalsContact CD-NZ 3.33Å; E208-K243 IonicContact OE1-NZ 2.73Å; E208-K243 PolarHBondContact OE1-NZ 2.93Å; E208-K243 IonicContact OE2-NZ 2.8Å; E208-K243 PolarHBondContact OE2-NZ 3.3Å; F224-K243 HydrophobicContact CD2-CB 3.91Å; F224-K243 HydrophobicContact CD2-CD 4.19Å; F224-K243 HydrophobicContact CE2-CB 4.35Å; F224-K243 HydrophobicContact CE2-CD 4.03Å; F224-K243 HydrophobicContact CZ-CD 4.31Å; Y226-K243 WeakPolarHBondContact OH-CB 3.34Å; Y226-K243 WeakPolarHBondContact OH-CG 3.39Å; Y226-K243 PolarHBondContact OH-N 2.79Å
244E80.2Confident79.1Confident120 Ų12082.9 Ų82.956%0.56144%0.442SS*.  trans-104.935.1-174.7-62-165.3-168.700114H218 R222 K246H218-E244 IonicContact CE1-OE1 2.69Å; H218-E244 IonicContact CE1-OE2 3.48Å; R222-E244 PolarHBondContact NH1-O 2.81Å; R222-E244 IonicContact NH2-OE2 2.75Å; R222-E244 PolarHBondContact NH2-OE2 2.76Å; E244-K246 PolarHBondContact O-N 3.45Å
245E90.1Very high79.7Confident106 Ų10679.6 Ų79.650%0.49543%0.432SS..  trans-71.5128.3179.1-162.8174.616400111R222 L223 F224R222-E245 WeakPolarHBondContact CA-O 3.27Å; L223-E245 HydrophobicContact CB-CB 4.33Å; L223-E245 HydrophobicContact CD2-CG 4.35Å; L223-E245 PolarHBondContact N-O 2.87Å; F224-E245 HydrophobicContact CD2-CB 4.24Å; F224-E245 HydrophobicContact CE2-CB 4.11Å; F224-E245 WeakPolarHBondContact CE2-OE2 3.4Å
246K89.4Confident80.5Confident131 Ų13181.8 Ų81.857%0.5744%0.442SS*.BIsolated β-bridgetrans-81.4153.8178.3-66.8-169.8176.2-153.70111.3D220 C221 R222 E244D220-K246 WeakPolarHBondContact OD2-CD 3.22Å; D220-K246 VanDerWaalsContact OD2-CE 3.31Å; D220-K246 WeakPolarHBondContact OD2-CE 3.31Å; D220-K246 IonicContact OD2-NZ 2.71Å; D220-K246 PolarHBondContact OD2-NZ 2.86Å; C221-K246 WeakPolarHBondContact O-CA 3.17Å; R222-K246 VanDerWaalsContact NH1-CG 3.27Å; E244-K246 PolarHBondContact O-N 3.45Å
247C89.9Confident81.7Confident29 Ų2989.4 Ų89.420%0.19647%0.472CS..  trans-143.3161.2172.556.80000110.2C212 C221 R222 L223 C249C212-C247 WeakPolarHBondContact CA-SG 3.37Å; C212-C247 HydrophobicContact CB-CB 3.87Å; C212-C247 WeakPolarHBondContact CB-SG 3.33Å; C212-C247 WeakPolarHBondContact SG-CB 3.47Å; C212-C247 CovalentContact SG-SG 2.02Å; C212-C247 PolarHBondContact SG-SG 3.39Å; C221-C247 WeakPolarHBondContact CB-O 3.42Å; C221-C247 PolarHBondContact O-N 2.82Å; R222-C247 PolarHBondContact O-SG 3.32Å; R222-C247 VanDerWaalsContact O-SG 3.35Å; L223-C247 HydrophobicContact CB-CB 4.28Å; L223-C247 HydrophobicContact CD1-CB 4.4Å; L223-C247 PolarHBondContact N-SG 2.83Å; L223-C247 VanDerWaalsContact N-SG 3.43Å; C247-C249 PolarHBondContact O-N 2.83Å
248E85.9Confident82.7Confident186 Ų18685.2 Ų85.287%0.86946%0.456SS*.  trans-69128.8173.1-80.6-176.2158.400111.1C212 P250C212-E248 PolarHBondContact SG-O 2.8Å; E248-P250 WeakPolarHBondContact O-CD 3.21Å
249C82.9Confident83.7Confident57 Ų5784 Ų8439%0.38545%0.447SS..  trans-62.3124-179.6-70.60000111.3C221 C247 C251C221-C249 HydrophobicContact CB-CB 4.02Å; C221-C249 WeakPolarHBondContact CB-SG 2.89Å; C221-C249 WeakPolarHBondContact SG-CA 2.96Å; C221-C249 WeakPolarHBondContact SG-CB 2.98Å; C221-C249 CovalentContact SG-SG 2.02Å; C221-C249 PolarHBondContact SG-SG 3.1Å; C247-C249 PolarHBondContact O-N 2.83Å; C249-C251 PolarHBondContact O-N 3.12Å
250P80.9Confident84.5Confident68 Ų6890.7 Ų90.744%0.44248%0.475SS..SBendtrans-70.2-12.6179.627.1-33.8000113.3E248E248-P250 WeakPolarHBondContact O-CD 3.21Å
251C81.6Confident84.9Confident10 Ų1091.4 Ų91.47%0.06847%0.467CS..  trans-134.4140.4-179-82.80000112.3C249 R274 P275 K276 C291C249-C251 PolarHBondContact O-N 3.12Å; C251-R274 HydrophobicContact CB-CB 4.25Å; C251-R274 HydrophobicContact CB-CG 4.08Å; C251-R274 PolarHBondContact SG-O 3.4Å; C251-P275 WeakPolarHBondContact CB-O 3.39Å; C251-P275 VanDerWaalsContact SG-C 3.56Å; C251-K276 WeakPolarHBondContact SG-CA 3.47Å; C251-K276 WeakPolarHBondContact SG-CG 3.49Å; C251-K276 PolarHBondContact SG-N 2.87Å; C251-C291 HydrophobicContact CB-CB 3.84Å; C251-C291 WeakPolarHBondContact CB-SG 3.44Å; C251-C291 WeakPolarHBondContact SG-CB 3.45Å; C251-C291 PolarHBondContact SG-N 2.8Å; C251-C291 CovalentContact SG-SG 2.01Å; C251-C291 PolarHBondContact SG-SG 2.73Å
252S77.5Confident85.4Confident61 Ų6188.4 Ų88.443%0.42745%0.452SS..  trans-127.1-6.1-172.766.70000115P275 K276S252-P275 PolarHBondContact N-O 3.06Å; S252-K276 PolarHBondContact N-O 2.67Å; S252-K276 PolarHBondContact OG-O 3.4Å
253G77.5Confident85.6Confident7 Ų786.9 Ų86.97%0.07245%0.452CS..SBendtrans-78.2177.5-179.300000115.1R274 P275G253-R274 WeakPolarHBondContact O-CG 3.37Å; G253-R274 PolarHBondContact O-NE 3.25Å; G253-P275 PolarHBondContact N-O 3.38Å; G253-P275 VanDerWaalsContact N-O 3.13Å
254T80.8Confident85.6Confident124 Ų12486.4 Ų86.476%0.76146%0.458SS*.  trans-71.3125172.1-53.50000109.4P275T254-P275 VanDerWaalsContact O-CD 3.24Å; T254-P275 WeakPolarHBondContact O-CD 3.42Å
255P81.3Confident85.9Confident34 Ų3481.6 Ų81.622%0.22144%0.438CS..  trans-74.4148.918028.8-30.9000111.6R272 R274P255-R272 VanDerWaalsContact CB-CZ 3.45Å; P255-R274 HydrophobicContact CB-CB 4.25Å; P255-R274 HydrophobicContact CB-CG 4.09Å
256E85.6Confident85.5Confident72 Ų7277 Ų7734%0.33642%0.419SS..  trans-69.3174.9171.8-65.8-177.2167.400112.2R272 Y273 C283E256-R272 VanDerWaalsContact O-CD 3.31Å; E256-R272 WeakPolarHBondContact O-CD 3.27Å; E256-Y273 PolarHBondContact N-O 3.45Å; E256-C283 WeakPolarHBondContact OE1-CB 3.47Å
257E88.7Confident85.3Confident181 Ų18173.2 Ų73.285%0.84641%0.407SS*.PPolyproline II helixtrans-65.6149.5170-71.1-165.8160.600111.7R272E257-R272 WeakPolarHBondContact O-CB 3.35Å
258W89.4Confident85.2Confident64 Ų6472.7 Ų72.724%0.24240%0.402CS..PPolyproline II helixtrans-71141.2174.4-72.799.5000111.2R270 S271 R272 E293 E295W258-R270 HydrophobicContact CD2-CG 4.29Å; W258-R270 HydrophobicContact CE3-CB 4.36Å; W258-R270 HydrophobicContact CE3-CG 3.65Å; W258-R270 HydrophobicContact CZ3-CG 4.15Å; W258-S271 VanDerWaalsContact CE3-C 3.49Å; W258-R272 HydrophobicContact CD2-CB 4.17Å; W258-R272 HydrophobicContact CD2-CG 3.95Å; W258-R272 VanDerWaalsContact CE2-CD 3.44Å; W258-R272 HydrophobicContact CE3-CB 3.96Å; W258-R272 HydrophobicContact CE3-CG 3.83Å; W258-R272 HydrophobicContact CH2-CG 3.94Å; W258-R272 HydrophobicContact CZ2-CG 4.04Å; W258-R272 VanDerWaalsContact CZ2-NE 3.28Å; W258-R272 HydrophobicContact CZ3-CB 4.36Å; W258-R272 HydrophobicContact CZ3-CG 3.84Å; W258-E293 HydrophobicContact CH2-CB 4.17Å; W258-E295 HydrophobicContact CH2-CB 3.72Å; W258-E295 HydrophobicContact CZ2-CB 4.38Å; W258-E295 HydrophobicContact CZ3-CB 3.82Å
259T92.9Very high85.4Confident71 Ų7166.5 Ų66.544%0.43638%0.379SS..PPolyproline II helixtrans-61.6163.6164.463.50000110.8S271T259-S271 WeakPolarHBondContact CG2-O 3.32Å; T259-S271 PolarHBondContact N-O 2.92Å; T259-S271 PolarHBondContact OG1-N 3.12Å; T259-S271 PolarHBondContact OG1-O 3.25Å
260Q92.9Very high85.8Confident180 Ų18066.2 Ų66.284%0.84137%0.37SS*.PPolyproline II helixtrans-60.8156.7166.1-64.2-161.6-16.300111
261W90.3Very high86.3Confident93 Ų9364.1 Ų64.135%0.35236%0.357SS..PPolyproline II helixtrans-64.5142174.1-70.3108000110.8A263 M268 R270 E295 H297W261-A263 PolarHBondContact O-N 2.78Å; W261-M268 HydrophobicContact CD2-CB 4.38Å; W261-M268 HydrophobicContact CE3-CB 3.7Å; W261-M268 HydrophobicContact CZ3-CB 4.21Å; W261-R270 HydrophobicContact CD2-CB 4.36Å; W261-R270 HydrophobicContact CD2-CG 4.22Å; W261-R270 HydrophobicContact CE3-CB 4.03Å; W261-R270 HydrophobicContact CE3-CG 3.89Å; W261-R270 HydrophobicContact CH2-CG 3.93Å; W261-R270 HydrophobicContact CZ2-CG 4.25Å; W261-R270 HydrophobicContact CZ3-CB 4.33Å; W261-R270 HydrophobicContact CZ3-CG 3.75Å; W261-E295 HydrophobicContact CH2-CG 4.21Å; W261-H297 HydrophobicContact CH2-CB 3.63Å; W261-H297 HydrophobicContact CZ2-CB 4.39Å; W261-H297 HydrophobicContact CZ3-CB 3.88Å
262S90.7Very high86.6Confident78 Ų7865.4 Ų65.455%0.54536%0.36SS..SBendtrans-66.4-23.7179.460.20000114.2S269S262-S269 WeakPolarHBondContact CB-O 3.22Å; S262-S269 PolarHBondContact N-O 3.05Å; S262-S269 PolarHBondContact OG-N 2.91Å; S262-S269 PolarHBondContact OG-O 2.67Å; S262-S269 PolarHBondContact OG-OG 2.82Å
263A86.7Confident87Confident42 Ų4266.7 Ų66.735%0.34736%0.356SS..  trans-154.8172.8-177.400000110.8W261 M268W261-A263 PolarHBondContact O-N 2.78Å; A263-M268 HydrophobicContact CB-CG 4.25Å; A263-M268 WeakPolarHBondContact O-CG 3.28Å
264T83.5Confident87.4Confident100 Ų10068.3 Ų68.361%0.61336%0.36SS*.SBendtrans-103-14.2176.353.40000113.8M268T264-M268 VanDerWaalsContact C-SD 3.52Å
265C85.2Confident87.5Confident19 Ų1963 Ų6313%0.12833%0.328CS..SBendtrans-140.9167.1-178.664.30000110.4C302 Y305C265-C302 HydrophobicContact CB-CB 4.04Å; C265-C302 WeakPolarHBondContact CB-SG 3.22Å; C265-C302 WeakPolarHBondContact SG-CA 3.36Å; C265-C302 WeakPolarHBondContact SG-CB 3.4Å; C265-C302 CovalentContact SG-SG 2.05Å; C265-C302 PolarHBondContact SG-SG 3.39Å; C265-Y305 HydrophobicContact CB-CD2 3.81Å; C265-Y305 HydrophobicContact CB-CE2 3.54Å
266G82.9Confident87.4Confident10 Ų1066.3 Ų66.310%0.10334%0.339CS..SBendtrans67.6-140.3179.100000112.6M268 G299 E300 C302G266-M268 PolarHBondContact O-N 3.04Å; G266-G299 PolarHBondContact O-N 2.69Å; G266-E300 PolarHBondContact N-O 2.75Å; G266-C302 PolarHBondContact N-SG 3.23Å
267V84.6Confident87Confident52 Ų5268 Ų6832%0.31535%0.35SS..EExtended strand (participates in β ladder)trans-85.8105.2178.6-175.80000108.9I228 T296I228-V267 HydrophobicContact CG2-CG2 4.36Å; V267-T296 HydrophobicContact CG1-CG2 3.73Å
268M88.2Confident86Confident18 Ų1867.5 Ų67.59%0.08935%0.345CS..EExtended strand (participates in β ladder)trans-99.1140.1179.7-54176.3-65.200109.2W261 A263 T264 G266 T296 H297W261-M268 HydrophobicContact CD2-CB 4.38Å; W261-M268 HydrophobicContact CE3-CB 3.7Å; W261-M268 HydrophobicContact CZ3-CB 4.21Å; A263-M268 HydrophobicContact CB-CG 4.25Å; A263-M268 WeakPolarHBondContact O-CG 3.28Å; T264-M268 VanDerWaalsContact C-SD 3.52Å; G266-M268 PolarHBondContact O-N 3.04Å; M268-T296 CarbonylContact O-C 3.44Å; M268-T296 WeakPolarHBondContact O-CA 3.25Å; M268-H297 HydrophobicContact CE-CB 4.3Å; M268-H297 VanDerWaalsContact CE-CD2 3.41Å; M268-H297 WeakPolarHBondContact CE-CD2 3.24Å; M268-H297 PolarHBondContact N-O 3.03Å; M268-H297 PolarHBondContact O-N 2.95Å
269S89.3Confident84.8Confident55 Ų5573.3 Ų73.339%0.38538%0.377SS..EExtended strand (participates in β ladder)trans-132.4150.8176.861.40000111.3S262 E295S262-S269 WeakPolarHBondContact CB-O 3.22Å; S262-S269 PolarHBondContact N-O 3.05Å; S262-S269 PolarHBondContact OG-N 2.91Å; S262-S269 PolarHBondContact OG-O 2.67Å; S262-S269 PolarHBondContact OG-OG 2.82Å; S269-E295 VanDerWaalsContact CA-O 3.27Å; S269-E295 WeakPolarHBondContact CA-O 3.48Å
270R92Very high83.2Confident52 Ų5271.6 Ų71.620%0.19637%0.371CS..EExtended strand (participates in β ladder)trans-143.1159.9169.362.4180-171.4176.6-4.7109.5W258 W261 E294 E295W258-R270 HydrophobicContact CD2-CG 4.29Å; W258-R270 HydrophobicContact CE3-CB 4.36Å; W258-R270 HydrophobicContact CE3-CG 3.65Å; W258-R270 HydrophobicContact CZ3-CG 4.15Å; W261-R270 HydrophobicContact CD2-CB 4.36Å; W261-R270 HydrophobicContact CD2-CG 4.22Å; W261-R270 HydrophobicContact CE3-CB 4.03Å; W261-R270 HydrophobicContact CE3-CG 3.89Å; W261-R270 HydrophobicContact CH2-CG 3.93Å; W261-R270 HydrophobicContact CZ2-CG 4.25Å; W261-R270 HydrophobicContact CZ3-CB 4.33Å; W261-R270 HydrophobicContact CZ3-CG 3.75Å; R270-E294 WeakPolarHBondContact O-CA 3.22Å; R270-E295 HydrophobicContact CG-CB 4.13Å; R270-E295 IonicContact CZ-OE2 3.35Å; R270-E295 PolarHBondContact N-O 2.89Å; R270-E295 IonicContact NE-OE2 3.72Å; R270-E295 PolarHBondContact NE-OE2 2.87Å; R270-E295 IonicContact NH2-OE2 2.69Å; R270-E295 PolarHBondContact NH2-OE2 2.79Å; R270-E295 PolarHBondContact O-N 3.4Å
271S90.6Very high81.6Confident24 Ų2467.6 Ų67.617%0.16837%0.368CS..EExtended strand (participates in β ladder)trans-134.3160.8-179.154.70000112.1W258 T259 K292 E293W258-S271 VanDerWaalsContact CE3-C 3.49Å; T259-S271 WeakPolarHBondContact CG2-O 3.32Å; T259-S271 PolarHBondContact N-O 2.92Å; T259-S271 PolarHBondContact OG1-N 3.12Å; T259-S271 PolarHBondContact OG1-O 3.25Å; S271-K292 VanDerWaalsContact CB-CE 3.48Å; S271-E293 CarbonylContact C-O 3.52Å; S271-E293 WeakPolarHBondContact CA-O 3.19Å; S271-E293 WeakPolarHBondContact CB-O 3.21Å
272R89Confident80.4Confident36 Ų3667.2 Ų67.214%0.13637%0.373CS..EExtended strand (participates in β ladder)trans-147.4166.4167.365.2178.2-179.7179.92.4109.6P255 E256 E257 W258 E293P255-R272 VanDerWaalsContact CB-CZ 3.45Å; E256-R272 VanDerWaalsContact O-CD 3.31Å; E256-R272 WeakPolarHBondContact O-CD 3.27Å; E257-R272 WeakPolarHBondContact O-CB 3.35Å; W258-R272 HydrophobicContact CD2-CB 4.17Å; W258-R272 HydrophobicContact CD2-CG 3.95Å; W258-R272 VanDerWaalsContact CE2-CD 3.44Å; W258-R272 HydrophobicContact CE3-CB 3.96Å; W258-R272 HydrophobicContact CE3-CG 3.83Å; W258-R272 HydrophobicContact CH2-CG 3.94Å; W258-R272 HydrophobicContact CZ2-CG 4.04Å; W258-R272 VanDerWaalsContact CZ2-NE 3.28Å; W258-R272 HydrophobicContact CZ3-CB 4.36Å; W258-R272 HydrophobicContact CZ3-CG 3.84Å; R272-E293 HydrophobicContact CG-CB 3.97Å; R272-E293 IonicContact CZ-OE2 2.81Å; R272-E293 PolarHBondContact N-O 3.27Å; R272-E293 IonicContact NE-OE2 3.57Å; R272-E293 PolarHBondContact NE-OE2 2.83Å; R272-E293 IonicContact NH2-OE2 3.14Å; R272-E293 PolarHBondContact NH2-OE2 3.05Å; R272-E293 PolarHBondContact O-N 3.27Å
273Y85.9Confident79.6Confident88 Ų8864.1 Ų64.135%0.34535%0.351SS..EExtended strand (participates in β ladder)trans-104.7149.9172.5-66.4-83.9000111.5E256 C283 C290 C291 K292E256-Y273 PolarHBondContact N-O 3.45Å; Y273-C283 HydrophobicContact CG-CB 4.47Å; Y273-C290 HydrophobicContact CD1-CB 4.27Å; Y273-C291 WeakPolarHBondContact CA-O 3.29Å; Y273-K292 HydrophobicContact CD1-CB 4.27Å; Y273-K292 HydrophobicContact CE1-CB 3.97Å; Y273-K292 HydrophobicContact CE1-CG 4.12Å
274R85.1Confident78.8Confident41 Ų4170.9 Ų70.916%0.15537%0.373CS..EExtended strand (participates in β ladder)trans-135.7133.2173.5-168.9178.7-138159.5-3.9109.7C251 G253 P255 C290 C291 E293C251-R274 HydrophobicContact CB-CB 4.25Å; C251-R274 HydrophobicContact CB-CG 4.08Å; C251-R274 PolarHBondContact SG-O 3.4Å; G253-R274 WeakPolarHBondContact O-CG 3.37Å; G253-R274 PolarHBondContact O-NE 3.25Å; P255-R274 HydrophobicContact CB-CB 4.25Å; P255-R274 HydrophobicContact CB-CG 4.09Å; R274-C290 CarbonylContact O-C 3.48Å; R274-C290 WeakPolarHBondContact O-CA 3.19Å; R274-C290 WeakPolarHBondContact O-CB 3.37Å; R274-C291 PolarHBondContact N-O 3.43Å; R274-C291 PolarHBondContact O-N 3.27Å; R274-E293 WeakPolarHBondContact CD-OE1 3.36Å; R274-E293 IonicContact CZ-OE1 3.72Å; R274-E293 IonicContact NE-OE1 3.91Å; R274-E293 IonicContact NH1-OE1 3.65Å; R274-E293 PolarHBondContact NH1-OE1 2.99Å
275P83.4Confident78.3Confident13 Ų1371.8 Ų71.88%0.08438%0.379CS..EExtended strand (participates in β ladder)trans-64.3142.9176.1-23.133.7000113.1C251 S252 G253 T254 D277 A280C251-P275 WeakPolarHBondContact CB-O 3.39Å; C251-P275 VanDerWaalsContact SG-C 3.56Å; S252-P275 PolarHBondContact N-O 3.06Å; G253-P275 PolarHBondContact N-O 3.38Å; G253-P275 VanDerWaalsContact N-O 3.13Å; T254-P275 VanDerWaalsContact O-CD 3.24Å; T254-P275 WeakPolarHBondContact O-CD 3.42Å; P275-D277 WeakPolarHBondContact CB-O 3.05Å; P275-A280 VanDerWaalsContact CB-O 3.27Å; P275-A280 WeakPolarHBondContact CB-O 3.49Å
276K79.5Confident77.7Confident104 Ų10474.1 Ų74.145%0.45239%0.39SS..SBendtrans-63-45.5172.2-75.5175.8176.9168.80111.4C251 S252 K288 L289C251-K276 WeakPolarHBondContact SG-CA 3.47Å; C251-K276 WeakPolarHBondContact SG-CG 3.49Å; C251-K276 PolarHBondContact SG-N 2.87Å; S252-K276 PolarHBondContact N-O 2.67Å; S252-K276 PolarHBondContact OG-O 3.4Å; K276-K288 WeakPolarHBondContact CE-O 3.47Å; K276-K288 PolarHBondContact NZ-O 3.07Å; K276-L289 WeakPolarHBondContact CB-O 2.9Å; K276-L289 WeakPolarHBondContact CG-O 3.4Å; K276-L289 PolarHBondContact N-O 3.05Å
277D75.8Confident77.1Confident108 Ų10877.3 Ų77.358%0.57841%0.41SS*.SBendtrans-113.8144.9-176-131.2-29.2000111.7P275 M279 A280P275-D277 WeakPolarHBondContact CB-O 3.05Å; D277-M279 PolarHBondContact O-N 2.81Å; D277-M279 VanDerWaalsContact O-N 3.11Å; D277-A280 PolarHBondContact O-N 3.11Å
278K67.7Low76.6Confident169 Ų16982.5 Ų82.574%0.73543%0.428SS*.THydrogen-bonded Turntrans-63-20.7-177.5-71.9-177.2180177.40113.4
279M65.4Low76.1Confident186 Ų18686.1 Ų86.192%0.91645%0.448SS*.THydrogen-bonded Turntrans-100.4-4.7-174.6-63.7-161.8111.800114.8D277D277-M279 PolarHBondContact O-N 2.81Å; D277-M279 VanDerWaalsContact O-N 3.11Å
280A58.4Low75.8Confident36 Ų3684 Ų8430%0.29843%0.433SS..  trans-104.4103.7179.800000110.2P275 D277P275-A280 VanDerWaalsContact CB-O 3.27Å; P275-A280 WeakPolarHBondContact CB-O 3.49Å; D277-A280 PolarHBondContact O-N 3.11Å
281A59.3Low75.3Confident96 Ų9682.6 Ų82.679%0.79343%0.431SS*.  trans-109.315.6-156.400000117.1
282D66Low75.1Confident85 Ų8586.4 Ų86.446%0.45544%0.444SS..  trans-144.895.1173.4-153.4-15.4000114.4K284 T285D282-K284 PolarHBondContact O-N 2.66Å; D282-K284 VanDerWaalsContact O-N 3.1Å; D282-K284 VanDerWaalsContact OD1-CB 3.24Å; D282-K284 WeakPolarHBondContact OD1-CB 3.33Å; D282-K284 WeakPolarHBondContact OD1-CG 3.35Å; D282-K284 PolarHBondContact OD1-N 2.85Å; D282-K284 VanDerWaalsContact OD1-N 3.16Å; D282-T285 PolarHBondContact O-N 2.97Å; D282-T285 VanDerWaalsContact O-N 3.11Å; D282-T285 PolarHBondContact O-OG1 2.72Å
283C72.1Confident74.8Confident13 Ų1385.6 Ų85.69%0.08844%0.442CS..THydrogen-bonded Turntrans-61.9-12.9175.8-62.20000113.2E256 Y273 T285 C290E256-C283 WeakPolarHBondContact OE1-CB 3.47Å; Y273-C283 HydrophobicContact CG-CB 4.47Å; C283-T285 VanDerWaalsContact C-N 3.29Å; C283-C290 WeakPolarHBondContact CA-SG 3.34Å; C283-C290 HydrophobicContact CB-CB 3.9Å; C283-C290 WeakPolarHBondContact CB-SG 3.4Å; C283-C290 WeakPolarHBondContact SG-CB 3.47Å; C283-C290 CovalentContact SG-SG 2.03Å; C283-C290 PolarHBondContact SG-SG 3.08Å
284K71.2Confident74.8Confident183 Ų18384.5 Ų84.580%0.79644%0.44SS*.THydrogen-bonded Turntrans-70.8-25.5174.5-62.9179.5-175.7178.30113D282D282-K284 PolarHBondContact O-N 2.66Å; D282-K284 VanDerWaalsContact O-N 3.1Å; D282-K284 VanDerWaalsContact OD1-CB 3.24Å; D282-K284 WeakPolarHBondContact OD1-CB 3.33Å; D282-K284 WeakPolarHBondContact OD1-CG 3.35Å; D282-K284 PolarHBondContact OD1-N 2.85Å; D282-K284 VanDerWaalsContact OD1-N 3.16Å
285T72.2Confident74.8Confident120 Ų12084.7 Ų84.774%0.73644%0.443SS*.THydrogen-bonded Turntrans-87-42.1-173.4-29.50000111.8D282 C283D282-T285 PolarHBondContact O-N 2.97Å; D282-T285 VanDerWaalsContact O-N 3.11Å; D282-T285 PolarHBondContact O-OG1 2.72Å; C283-T285 VanDerWaalsContact C-N 3.29Å
286D72.3Confident74.8Confident68 Ų6887 Ų8736%0.36446%0.457SS..  trans-146.3110.9174.3-172.4-7.5000110.8K288 L289D286-K288 PolarHBondContact O-N 3.14Å; D286-K288 VanDerWaalsContact OD1-CB 3.31Å; D286-K288 WeakPolarHBondContact OD1-CB 3.16Å; D286-K288 PolarHBondContact OD1-N 2.85Å; D286-L289 HydrophobicContact CB-CD1 4.05Å; D286-L289 HydrophobicContact CB-CG 4.22Å; D286-L289 PolarHBondContact O-N 2.91Å
287S70.4Confident74.9Confident76 Ų7687 Ų8753%0.53146%0.458SS..G310 helixtrans-65.2-19.8-179.662.20000113.4L289 C290S287-L289 VanDerWaalsContact C-N 3.26Å; S287-L289 PolarHBondContact O-N 3.29Å; S287-C290 PolarHBondContact O-N 2.85Å
288K74.8Confident75.1Confident161 Ų16183.9 Ų83.970%0.744%0.443SS*.G310 helixtrans-71-22.4179.3-64.6178.8-179.1175.50113.3K276 D286 C290K276-K288 WeakPolarHBondContact CE-O 3.47Å; K276-K288 PolarHBondContact NZ-O 3.07Å; D286-K288 PolarHBondContact O-N 3.14Å; D286-K288 VanDerWaalsContact OD1-CB 3.31Å; D286-K288 WeakPolarHBondContact OD1-CB 3.16Å; D286-K288 PolarHBondContact OD1-N 2.85Å; K288-C290 PolarHBondContact O-N 3.4Å
289L78.6Confident75.6Confident94 Ų9476.9 Ų76.949%0.49242%0.419SS..G310 helixtrans-78-5.5176.6-63.1175.3000112.5K276 D286 S287K276-L289 WeakPolarHBondContact CB-O 2.9Å; K276-L289 WeakPolarHBondContact CG-O 3.4Å; K276-L289 PolarHBondContact N-O 3.05Å; D286-L289 HydrophobicContact CB-CD1 4.05Å; D286-L289 HydrophobicContact CB-CG 4.22Å; D286-L289 PolarHBondContact O-N 2.91Å; S287-L289 VanDerWaalsContact C-N 3.26Å; S287-L289 PolarHBondContact O-N 3.29Å
290C81.9Confident76.3Confident12 Ų1270.7 Ų70.78%0.08139%0.388CS..EExtended strand (participates in β ladder)trans-122154.1-176-59.20000112.1Y273 R274 C283 S287 K288Y273-C290 HydrophobicContact CD1-CB 4.27Å; R274-C290 CarbonylContact O-C 3.48Å; R274-C290 WeakPolarHBondContact O-CA 3.19Å; R274-C290 WeakPolarHBondContact O-CB 3.37Å; C283-C290 WeakPolarHBondContact CA-SG 3.34Å; C283-C290 HydrophobicContact CB-CB 3.9Å; C283-C290 WeakPolarHBondContact CB-SG 3.4Å; C283-C290 WeakPolarHBondContact SG-CB 3.47Å; C283-C290 CovalentContact SG-SG 2.03Å; C283-C290 PolarHBondContact SG-SG 3.08Å; S287-C290 PolarHBondContact O-N 2.85Å; K288-C290 PolarHBondContact O-N 3.4Å
291C82.4Confident77.3Confident22 Ų2272.3 Ų72.315%0.14939%0.391CS..EExtended strand (participates in β ladder)trans-93.8138.1164.7-51.40000108.2C251 Y273 R274C251-C291 HydrophobicContact CB-CB 3.84Å; C251-C291 WeakPolarHBondContact CB-SG 3.44Å; C251-C291 WeakPolarHBondContact SG-CB 3.45Å; C251-C291 PolarHBondContact SG-N 2.8Å; C251-C291 CovalentContact SG-SG 2.01Å; C251-C291 PolarHBondContact SG-SG 2.73Å; Y273-C291 WeakPolarHBondContact CA-O 3.29Å; R274-C291 PolarHBondContact N-O 3.43Å; R274-C291 PolarHBondContact O-N 3.27Å
292K84.6Confident78.4Confident103 Ų10369.9 Ų69.945%0.44837%0.368SS..EExtended strand (participates in β ladder)trans-83.4120166.2-170-172.9-176.7-162.80108.3S271 Y273 E294S271-K292 VanDerWaalsContact CB-CE 3.48Å; Y273-K292 HydrophobicContact CD1-CB 4.27Å; Y273-K292 HydrophobicContact CE1-CB 3.97Å; Y273-K292 HydrophobicContact CE1-CG 4.12Å; K292-E294 HydrophobicContact CD-CG 4.27Å; K292-E294 WeakPolarHBondContact CE-OE1 3.46Å; K292-E294 HydrophobicContact CG-CG 4.36Å; K292-E294 IonicContact NZ-OE1 3.03Å; K292-E294 PolarHBondContact NZ-OE1 2.85Å
293E84.5Confident79.3Confident19 Ų1968.7 Ų68.79%0.08936%0.359CS..EExtended strand (participates in β ladder)trans-94136.9167.5-66.3-175.5171.500108.6W258 S271 R272 R274W258-E293 HydrophobicContact CH2-CB 4.17Å; S271-E293 CarbonylContact C-O 3.52Å; S271-E293 WeakPolarHBondContact CA-O 3.19Å; S271-E293 WeakPolarHBondContact CB-O 3.21Å; R272-E293 HydrophobicContact CG-CB 3.97Å; R272-E293 IonicContact CZ-OE2 2.81Å; R272-E293 PolarHBondContact N-O 3.27Å; R272-E293 IonicContact NE-OE2 3.57Å; R272-E293 PolarHBondContact NE-OE2 2.83Å; R272-E293 IonicContact NH2-OE2 3.14Å; R272-E293 PolarHBondContact NH2-OE2 3.05Å; R272-E293 PolarHBondContact O-N 3.27Å; R274-E293 WeakPolarHBondContact CD-OE1 3.36Å; R274-E293 IonicContact CZ-OE1 3.72Å; R274-E293 IonicContact NE-OE1 3.91Å; R274-E293 IonicContact NH1-OE1 3.65Å; R274-E293 PolarHBondContact NH1-OE1 2.99Å
294E85.8Confident79.8Confident66 Ų6669.1 Ų69.131%0.30836%0.36SS..EExtended strand (participates in β ladder)trans-124.4136.1176.4-68.9-179.3158.300109.1K225 R270 K292K225-E294 IonicContact NZ-OE2 2.72Å; K225-E294 PolarHBondContact NZ-OE2 2.89Å; R270-E294 WeakPolarHBondContact O-CA 3.22Å; K292-E294 HydrophobicContact CD-CG 4.27Å; K292-E294 WeakPolarHBondContact CE-OE1 3.46Å; K292-E294 HydrophobicContact CG-CG 4.36Å; K292-E294 IonicContact NZ-OE1 3.03Å; K292-E294 PolarHBondContact NZ-OE1 2.85Å
295E84.4Confident80.6Confident45 Ų4562.2 Ų62.221%0.2133%0.33CS..EExtended strand (participates in β ladder)trans-117132.5172.8-172174.6-15500108.4W258 W261 S269 R270W258-E295 HydrophobicContact CH2-CB 3.72Å; W258-E295 HydrophobicContact CZ2-CB 4.38Å; W258-E295 HydrophobicContact CZ3-CB 3.82Å; W261-E295 HydrophobicContact CH2-CG 4.21Å; S269-E295 VanDerWaalsContact CA-O 3.27Å; S269-E295 WeakPolarHBondContact CA-O 3.48Å; R270-E295 HydrophobicContact CG-CB 4.13Å; R270-E295 IonicContact CZ-OE2 3.35Å; R270-E295 PolarHBondContact N-O 2.89Å; R270-E295 IonicContact NE-OE2 3.72Å; R270-E295 PolarHBondContact NE-OE2 2.87Å; R270-E295 IonicContact NH2-OE2 2.69Å; R270-E295 PolarHBondContact NH2-OE2 2.79Å; R270-E295 PolarHBondContact O-N 3.4Å
296T82.9Confident81.2Confident62 Ų6256.9 Ų56.938%0.3830%0.298SS..EExtended strand (participates in β ladder)trans-115.8134176.3-6.50000108.9V267 M268V267-T296 HydrophobicContact CG1-CG2 3.73Å; M268-T296 CarbonylContact O-C 3.44Å; M268-T296 WeakPolarHBondContact O-CA 3.25Å
297H83Confident81.7Confident103 Ų10360 Ų6048%0.47731%0.308SS..EExtended strand (participates in β ladder)trans-130.5136.8174.8-173.853000109.6W261 M268W261-H297 HydrophobicContact CH2-CB 3.63Å; W261-H297 HydrophobicContact CZ2-CB 4.39Å; W261-H297 HydrophobicContact CZ3-CB 3.88Å; M268-H297 HydrophobicContact CE-CB 4.3Å; M268-H297 VanDerWaalsContact CE-CD2 3.41Å; M268-H297 WeakPolarHBondContact CE-CD2 3.24Å; M268-H297 PolarHBondContact N-O 3.03Å; M268-H297 PolarHBondContact O-N 2.95Å
298V78.1Confident82.2Confident42 Ų4263.3 Ų63.326%0.25532%0.32SS..EExtended strand (participates in β ladder)trans-94.2109173.31740000107.8I228 P231I228-V298 HydrophobicContact CB-CG2 4.08Å; I228-V298 HydrophobicContact CD1-CG2 3.43Å; I228-V298 VanDerWaalsContact CD1-CG2 3.43Å; I228-V298 HydrophobicContact CG1-CG2 4.32Å; I228-V298 HydrophobicContact CG2-CG2 3.91Å; P231-V298 HydrophobicContact CB-CB 4.49Å; P231-V298 HydrophobicContact CB-CG1 3.35Å; P231-V298 HydrophobicContact CB-CG2 4.32Å; P231-V298 HydrophobicContact CG-CG1 4.48Å
299G78.8Confident82.6Confident22 Ų2257.9 Ų57.923%0.22730%0.3CS..  trans-82.7-166.8170.800000112.1G266G266-G299 PolarHBondContact O-N 2.69Å
300E79.5Confident82.9Confident57 Ų5758.1 Ų58.127%0.26631%0.31SS..SBendtrans-64.1154.5172.5-76.8-131.9144.100112.2G266 C302 N304 Y305 N312 R314G266-E300 PolarHBondContact N-O 2.75Å; E300-C302 PolarHBondContact O-N 3.29Å; E300-N304 PolarHBondContact OE2-ND2 2.69Å; E300-N304 VanDerWaalsContact OE2-ND2 3.09Å; E300-Y305 HydrophobicContact CB-CE2 4.2Å; E300-N312 PolarHBondContact OE2-ND2 3.18Å; E300-R314 IonicContact OE1-CZ 3.74Å; E300-R314 IonicContact OE1-NH1 3.29Å; E300-R314 PolarHBondContact OE1-NH1 2.87Å
301D79.4Confident83.2Confident69 Ų6960 Ų6037%0.36932%0.318SS..  trans-57.3129.1173.9-168.5-22.5000110.3K303 N304D301-K303 PolarHBondContact O-N 2.93Å; D301-K303 WeakPolarHBondContact OD1-CB 3.44Å; D301-K303 PolarHBondContact OD1-N 3.17Å; D301-N304 VanDerWaalsContact O-CB 3.3Å; D301-N304 WeakPolarHBondContact O-CB 3.43Å; D301-N304 PolarHBondContact O-N 3.18Å
302C84.5Confident83.5Confident46 Ų4659.3 Ų59.331%0.31131%0.313SS..G310 helixtrans-61.7-23.9177.7-68.50000112.5C265 G266 E300 N304 Y305C265-C302 HydrophobicContact CB-CB 4.04Å; C265-C302 WeakPolarHBondContact CB-SG 3.22Å; C265-C302 WeakPolarHBondContact SG-CA 3.36Å; C265-C302 WeakPolarHBondContact SG-CB 3.4Å; C265-C302 CovalentContact SG-SG 2.05Å; C265-C302 PolarHBondContact SG-SG 3.39Å; G266-C302 PolarHBondContact N-SG 3.23Å; E300-C302 PolarHBondContact O-N 3.29Å; C302-N304 PolarHBondContact O-N 2.74Å; C302-Y305 WeakPolarHBondContact O-CB 3.39Å; C302-Y305 PolarHBondContact O-N 3.41Å
303K84.3Confident83.6Confident60 Ų6054.4 Ų54.426%0.26129%0.292SS..G310 helixtrans-62.6-17.5171.3-72.5-175.7164.8-163.50113.5E48 D301 Y305 G329 H330 L331E48-K303 IonicContact OE1-NZ 3.35Å; E48-K303 PolarHBondContact OE1-NZ 3.06Å; D301-K303 PolarHBondContact O-N 2.93Å; D301-K303 WeakPolarHBondContact OD1-CB 3.44Å; D301-K303 PolarHBondContact OD1-N 3.17Å; K303-Y305 VanDerWaalsContact C-N 3.25Å; K303-Y305 PolarHBondContact O-N 2.91Å; K303-G329 WeakPolarHBondContact CD-O 3.44Å; K303-H330 CarbonylContact O-C 3.55Å; K303-H330 WeakPolarHBondContact O-CA 3.45Å; K303-L331 PolarHBondContact O-N 2.91Å
304N83.2Confident83.4Confident22 Ų2255.9 Ų55.912%0.11830%0.297CS..G310 helixtrans-78.3-12.9174.4-64.2-16.4000113E300 D301 C302 N312 L313 R314 L331E300-N304 PolarHBondContact OE2-ND2 2.69Å; E300-N304 VanDerWaalsContact OE2-ND2 3.09Å; D301-N304 VanDerWaalsContact O-CB 3.3Å; D301-N304 WeakPolarHBondContact O-CB 3.43Å; D301-N304 PolarHBondContact O-N 3.18Å; C302-N304 PolarHBondContact O-N 2.74Å; N304-N312 PolarHBondContact O-OD1 3.15Å; N304-L313 PolarHBondContact O-N 3.31Å; N304-R314 HydrophobicContact CB-CB 4.23Å; N304-L331 HydrophobicContact CB-CD1 4.42Å
305Y86.4Confident83.3Confident38 Ų3859.6 Ų59.615%0.14931%0.314CS..BIsolated β-bridgetrans-93.3140-179.8-69.8-101.8000110C265 E300 C302 K303 F307 I311 N312C265-Y305 HydrophobicContact CB-CD2 3.81Å; C265-Y305 HydrophobicContact CB-CE2 3.54Å; E300-Y305 HydrophobicContact CB-CE2 4.2Å; C302-Y305 WeakPolarHBondContact O-CB 3.39Å; C302-Y305 PolarHBondContact O-N 3.41Å; K303-Y305 VanDerWaalsContact C-N 3.25Å; K303-Y305 PolarHBondContact O-N 2.91Å; Y305-F307 PolarHBondContact O-N 3.22Å; Y305-I311 VanDerWaalsContact CA-O 3.28Å; Y305-I311 WeakPolarHBondContact CA-O 3.33Å; Y305-N312 HydrophobicContact CD1-CB 4.14Å; Y305-N312 HydrophobicContact CE1-CB 3.75Å; Y305-N312 HydrophobicContact CE2-CB 4.42Å
306A85.5Confident83.4Confident8 Ų862.9 Ų62.97%0.06633%0.328CS..PPolyproline II helixtrans-61.1136169.400000109.3N308 T309 I311 L313 V342A306-N308 PolarHBondContact O-N 3.11Å; A306-T309 HydrophobicContact CB-CG2 4.29Å; A306-T309 WeakPolarHBondContact CB-OG1 3.45Å; A306-T309 WeakPolarHBondContact O-CB 3.33Å; A306-T309 PolarHBondContact O-N 3.11Å; A306-T309 PolarHBondContact O-OG1 3.18Å; A306-I311 PolarHBondContact N-O 2.89Å; A306-L313 HydrophobicContact CB-CD1 3.71Å; A306-L313 HydrophobicContact CB-CG 3.99Å; A306-V342 HydrophobicContact CB-CG1 3.29Å
307F82.7Confident83.4Confident133 Ų13363.2 Ų63.258%0.58333%0.331SS*.THydrogen-bonded Turntrans-48.7128.3-172.8-175.7-102.9000112.7Y305 T309Y305-F307 PolarHBondContact O-N 3.22Å; F307-T309 WeakPolarHBondContact O-CG2 3.44Å; F307-T309 PolarHBondContact O-N 2.64Å
308N80.7Confident83.6Confident146 Ų14659.2 Ų59.278%0.78132%0.315SS*.THydrogen-bonded Turntrans56.128.6-176.8-74.7-14.6000115.6A306A306-N308 PolarHBondContact O-N 3.11Å
309T84.3Confident84.1Confident46 Ų4663.6 Ų63.628%0.28233%0.33SS..SBendtrans-129.4165.4174.279.40000111.8A306 F307 I311 V342A306-T309 HydrophobicContact CB-CG2 4.29Å; A306-T309 WeakPolarHBondContact CB-OG1 3.45Å; A306-T309 WeakPolarHBondContact O-CB 3.33Å; A306-T309 PolarHBondContact O-N 3.11Å; A306-T309 PolarHBondContact O-OG1 3.18Å; F307-T309 WeakPolarHBondContact O-CG2 3.44Å; F307-T309 PolarHBondContact O-N 2.64Å; T309-I311 VanDerWaalsContact C-N 3.27Å; T309-I311 WeakPolarHBondContact OG1-CB 3.03Å; T309-I311 PolarHBondContact OG1-N 2.52Å; T309-I311 VanDerWaalsContact OG1-N 3.11Å; T309-V342 HydrophobicContact CG2-CG1 4.45Å; T309-V342 HydrophobicContact CG2-CG2 4.3Å
310S85Confident84.5Confident99 Ų9967.7 Ų67.769%0.69234%0.342SS*.SBendtrans-9013.5168.154.40000112.9N312S310-N312 PolarHBondContact O-N 2.95Å
311I87.4Confident84.6Confident51 Ų5165.9 Ų65.926%0.26234%0.338SS..  trans-87.6107.4-176.9-59.4175.5000109.1Y305 A306 T309 L313 K316 V342 L343Y305-I311 VanDerWaalsContact CA-O 3.28Å; Y305-I311 WeakPolarHBondContact CA-O 3.33Å; A306-I311 PolarHBondContact N-O 2.89Å; T309-I311 VanDerWaalsContact C-N 3.27Å; T309-I311 WeakPolarHBondContact OG1-CB 3.03Å; T309-I311 PolarHBondContact OG1-N 2.52Å; T309-I311 VanDerWaalsContact OG1-N 3.11Å; I311-L313 HydrophobicContact CG2-CD2 4.07Å; I311-L313 PolarHBondContact O-N 3.14Å; I311-K316 HydrophobicContact CG2-CB 4.23Å; I311-K316 HydrophobicContact CG2-CG 4.17Å; I311-V342 HydrophobicContact CD1-CB 4.33Å; I311-V342 HydrophobicContact CD1-CG1 4Å; I311-L343 HydrophobicContact CG2-CD1 4.35Å; I311-L343 HydrophobicContact CG2-CD2 3.92Å; I311-L343 HydrophobicContact CG2-CG 4.34Å
312N87.7Confident84.7Confident9 Ų965.2 Ų65.25%0.04833%0.334CS..BIsolated β-bridgetrans-76.3102.8171.8-169.6-22.9000110.4E300 N304 Y305 S310 R314 E315 K316E300-N312 PolarHBondContact OE2-ND2 3.18Å; N304-N312 PolarHBondContact O-OD1 3.15Å; Y305-N312 HydrophobicContact CD1-CB 4.14Å; Y305-N312 HydrophobicContact CE1-CB 3.75Å; Y305-N312 HydrophobicContact CE2-CB 4.42Å; S310-N312 PolarHBondContact O-N 2.95Å; N312-R314 PolarHBondContact O-N 3.44Å; N312-R314 WeakPolarHBondContact OD1-CA 3.46Å; N312-R314 WeakPolarHBondContact OD1-CB 3.3Å; N312-R314 PolarHBondContact OD1-N 2.96Å; N312-E315 PolarHBondContact O-N 2.83Å; N312-K316 WeakPolarHBondContact O-CB 3.37Å; N312-K316 WeakPolarHBondContact O-CG 3.48Å; N312-K316 PolarHBondContact O-N 2.68Å
313L87.4Confident84.6Confident0 Ų063.3 Ų63.30%032%0.321CS..THydrogen-bonded Turntrans-72.5-8.8179.3-69.8179.4000113.1N304 A306 I311 K316 K323 L331 L343N304-L313 PolarHBondContact O-N 3.31Å; A306-L313 HydrophobicContact CB-CD1 3.71Å; A306-L313 HydrophobicContact CB-CG 3.99Å; I311-L313 HydrophobicContact CG2-CD2 4.07Å; I311-L313 PolarHBondContact O-N 3.14Å; L313-K316 VanDerWaalsContact O-O 3.1Å; L313-K323 WeakPolarHBondContact O-CD 3.38Å; L313-K323 WeakPolarHBondContact O-CE 3.33Å; L313-K323 PolarHBondContact O-NZ 3.09Å; L313-L331 HydrophobicContact CB-CB 3.83Å; L313-L331 HydrophobicContact CB-CD1 4.2Å; L313-L331 VanDerWaalsContact CD1-C 3.41Å; L313-L331 HydrophobicContact CD1-CB 3.92Å; L313-L331 WeakPolarHBondContact CD1-O 3.35Å; L313-L343 HydrophobicContact CD2-CD2 3.28Å
314R80.3Confident84.3Confident50 Ų5061 Ų6119%0.18931%0.314CS..THydrogen-bonded Turntrans-65.9-46.2166.8-160.8-167.2-163.715624.3111.2T44 E300 N304 N312 K323T44-R314 HydrophobicContact CG2-CB 4.49Å; T44-R314 HydrophobicContact CG2-CG 3.43Å; T44-R314 VanDerWaalsContact CG2-CG 3.43Å; T44-R314 PolarHBondContact O-NE 2.79Å; T44-R314 PolarHBondContact O-NH2 2.77Å; T44-R314 VanDerWaalsContact O-NH2 3.16Å; E300-R314 IonicContact OE1-CZ 3.74Å; E300-R314 IonicContact OE1-NH1 3.29Å; E300-R314 PolarHBondContact OE1-NH1 2.87Å; N304-R314 HydrophobicContact CB-CB 4.23Å; N312-R314 PolarHBondContact O-N 3.44Å; N312-R314 WeakPolarHBondContact OD1-CA 3.46Å; N312-R314 WeakPolarHBondContact OD1-CB 3.3Å; N312-R314 PolarHBondContact OD1-N 2.96Å; R314-K323 PolarHBondContact O-NZ 3.43Å
315E83.7Confident84Confident143 Ų14361.5 Ų61.567%0.66832%0.317SS*.THydrogen-bonded Turntrans-87.3-32.1-176.4-61-174167.300112.7N312N312-E315 PolarHBondContact O-N 2.83Å
316K86.8Confident83.6Confident114 Ų11461.4 Ų61.450%0.49632%0.32SS..SBendtrans-95.5120.9-178.2-61.3-65-178.2-179.70110.2I311 N312 L313 L343I311-K316 HydrophobicContact CG2-CB 4.23Å; I311-K316 HydrophobicContact CG2-CG 4.17Å; N312-K316 WeakPolarHBondContact O-CB 3.37Å; N312-K316 WeakPolarHBondContact O-CG 3.48Å; N312-K316 PolarHBondContact O-N 2.68Å; L313-K316 VanDerWaalsContact O-O 3.1Å; K316-L343 HydrophobicContact CB-CD2 4.09Å
317P83.5Confident83.1Confident69 Ų6966.8 Ų66.845%0.44836%0.364SS..PPolyproline II helixtrans-76.1149.3174.331-34000111.1
318C86.8Confident82.7Confident20 Ų2062.5 Ų62.514%0.13536%0.358CS..PPolyproline II helixtrans-65.6136.7165.7-52.70000109.2G321 C333C318-G321 WeakPolarHBondContact CB-O 3.31Å; C318-C333 VanDerWaalsContact CA-SG 3.5Å; C318-C333 HydrophobicContact CB-CB 3.79Å; C318-C333 WeakPolarHBondContact CB-SG 3.46Å; C318-C333 WeakPolarHBondContact SG-CA 3.4Å; C318-C333 WeakPolarHBondContact SG-CB 3.36Å; C318-C333 CovalentContact SG-SG 2.03Å; C318-C333 PolarHBondContact SG-SG 2.87Å
319K89Confident82.4Confident134 Ų13455.9 Ų55.958%0.58332%0.323SS*.SBendtrans-78.3-45-176.4-63.8-65-175.8178.20112.4L343 E345K319-L343 WeakPolarHBondContact CB-O 3.49Å; K319-L343 HydrophobicContact CG-CB 4.44Å; K319-L343 PolarHBondContact N-O 2.04Å; K319-E345 HydrophobicContact CG-CB 4.18Å
320K86.6Confident82.3Confident107 Ų10755.8 Ų55.847%0.46532%0.32SS..SBendtrans-141.967.8-174.8-62.6-66.4178.6-171.80110.4C335 D336 F339 C344K320-C335 WeakPolarHBondContact O-CA 3.33Å; K320-D336 PolarHBondContact O-N 2.87Å; K320-F339 HydrophobicContact CB-CB 4Å; K320-F339 HydrophobicContact CB-CD1 3.64Å; K320-F339 HydrophobicContact CB-CD2 3.82Å; K320-F339 HydrophobicContact CB-CE1 4.04Å; K320-F339 HydrophobicContact CB-CE2 4.18Å; K320-F339 HydrophobicContact CB-CG 3.52Å; K320-F339 HydrophobicContact CB-CZ 4.29Å; K320-F339 HydrophobicContact CD-CE1 4.32Å; K320-F339 HydrophobicContact CD-CZ 4.19Å; K320-F339 HydrophobicContact CG-CD1 3.69Å; K320-F339 HydrophobicContact CG-CD2 4.39Å; K320-F339 HydrophobicContact CG-CE1 3.63Å; K320-F339 HydrophobicContact CG-CE2 4.33Å; K320-F339 HydrophobicContact CG-CG 4.08Å; K320-F339 HydrophobicContact CG-CZ 3.96Å; K320-C344 HydrophobicContact CB-CB 4.23Å; K320-C344 WeakPolarHBondContact CB-O 3.39Å; K320-C344 WeakPolarHBondContact O-CB 3.17Å
321G82.4Confident82.2Confident19 Ų1951.4 Ų51.420%0.19629%0.289CS..EExtended strand (participates in β ladder)trans163.8-174.9-175.100000110.5C318 V334C318-G321 WeakPolarHBondContact CB-O 3.31Å; G321-V334 CarbonylContact C-O 3.55Å; G321-V334 WeakPolarHBondContact CA-O 3.34Å
322I80.2Confident82.2Confident55 Ų5552.7 Ų52.728%0.28229%0.294SS..EExtended strand (participates in β ladder)trans-116.4157.3-178.960.6172.9000110.6E36 G324 C333 V334E36-I322 HydrophobicContact CB-CG2 4.34Å; E36-I322 HydrophobicContact CG-CG2 4.08Å; I322-G324 PolarHBondContact O-N 2.81Å; I322-C333 CarbonylContact O-C 3.25Å; I322-C333 WeakPolarHBondContact O-CA 3.23Å; I322-V334 HydrophobicContact CG1-CB 4.11Å; I322-V334 PolarHBondContact N-O 3.38Å; I322-V334 PolarHBondContact O-N 3.4Å
323K82.6Confident82.2Confident7 Ų753.1 Ų53.13%0.0330%0.297CS..EExtended strand (participates in β ladder)trans-72.1120.5168-66.4-174.3-163.2168.50109.3E40 A43 T44 L313 R314 E332E40-K323 HydrophobicContact CG-CB 4.35Å; E40-K323 HydrophobicContact CG-CD 3.78Å; E40-K323 HydrophobicContact CG-CG 4.07Å; E40-K323 WeakPolarHBondContact OE1-CE 3.33Å; E40-K323 IonicContact OE1-NZ 3.68Å; E40-K323 PolarHBondContact OE1-NZ 2.73Å; E40-K323 VanDerWaalsContact OE1-NZ 3.17Å; A43-K323 HydrophobicContact CB-CB 4.5Å; T44-K323 PolarHBondContact OG1-NZ 2.85Å; L313-K323 WeakPolarHBondContact O-CD 3.38Å; L313-K323 WeakPolarHBondContact O-CE 3.33Å; L313-K323 PolarHBondContact O-NZ 3.09Å; R314-K323 PolarHBondContact O-NZ 3.43Å; K323-E332 CarbonylContact C-O 3.58Å; K323-E332 WeakPolarHBondContact CA-O 3.11Å
324G79.3Confident82.2Confident12 Ų1256.2 Ų56.212%0.12432%0.316CS..EExtended strand (participates in β ladder)trans-111.9-165.9167.300000110.8I322 E332I322-G324 PolarHBondContact O-N 2.81Å; G324-E332 PolarHBondContact N-O 3.32Å; G324-E332 PolarHBondContact O-N 2.88Å; G324-E332 VanDerWaalsContact O-N 3.07Å
325V76.5Confident82.5Confident31 Ų3155.8 Ų55.819%0.18832%0.32CS..EExtended strand (participates in β ladder)trans-138.3131.2177.7-155.80000108.2E48 G329 H330E48-V325 HydrophobicContact CG-CG1 4.14Å; V325-G329 VanDerWaalsContact CG1-CA 3.47Å; V325-G329 WeakPolarHBondContact CG1-O 3.5Å; V325-H330 CarbonylContact C-O 3.59Å; V325-H330 VanDerWaalsContact CA-O 3.26Å; V325-H330 WeakPolarHBondContact CA-O 3.26Å; V325-H330 WeakPolarHBondContact CG1-O 3.26Å
326D78.5Confident82.5Confident37 Ų3753 Ų5320%0.19831%0.31CS..  trans-72.3174.9178.179.44.6000111.7G328 G329 H330 E332D326-G328 PolarHBondContact O-N 2.79Å; D326-G328 VanDerWaalsContact O-N 3.15Å; D326-G328 WeakPolarHBondContact OD1-CA 3.03Å; D326-G328 PolarHBondContact OD1-N 2.93Å; D326-G329 PolarHBondContact O-N 3.13Å; D326-G329 PolarHBondContact OD1-N 3.49Å; D326-H330 PolarHBondContact N-O 3.3Å; D326-H330 IonicContact OD1-CG 3.67Å; D326-H330 PolarHBondContact OD1-N 3.38Å; D326-H330 IonicContact OD1-ND1 2.74Å; D326-H330 PolarHBondContact OD1-ND1 3.38Å; D326-H330 WeakPolarHBondContact OD2-CB 3.39Å; D326-H330 IonicContact OD2-CG 3.66Å; D326-H330 IonicContact OD2-ND1 2.72Å; D326-H330 PolarHBondContact OD2-ND1 2.82Å; D326-E332 HydrophobicContact CB-CG 4.39Å; D326-E332 WeakPolarHBondContact CB-OE2 3.24Å
327A74.9Confident82.1Confident120 Ų12056.1 Ų56.199%0.99233%0.331SS*.THydrogen-bonded Turntrans-62.5-19.7178.300000114
328G73.1Confident82Confident44 Ų4454.8 Ų54.845%0.45433%0.33SS..THydrogen-bonded Turntrans-91.2-3.1175.600000114.1D326D326-G328 PolarHBondContact O-N 2.79Å; D326-G328 VanDerWaalsContact O-N 3.15Å; D326-G328 WeakPolarHBondContact OD1-CA 3.03Å; D326-G328 PolarHBondContact OD1-N 2.93Å
329G74.5Confident82Confident6 Ų657.4 Ų57.46%0.06234%0.339CS..SBendtrans84.410.6-177.300000114.5K303 V325 D326K303-G329 WeakPolarHBondContact CD-O 3.44Å; V325-G329 VanDerWaalsContact CG1-CA 3.47Å; V325-G329 WeakPolarHBondContact CG1-O 3.5Å; D326-G329 PolarHBondContact O-N 3.13Å; D326-G329 PolarHBondContact OD1-N 3.49Å
330H81.9Confident82.1Confident44 Ų4453.9 Ų53.920%0.20433%0.328CS..  trans-77.9141.9172.2-55.383.8000109.8K303 V325 D326 E332K303-H330 CarbonylContact O-C 3.55Å; K303-H330 WeakPolarHBondContact O-CA 3.45Å; V325-H330 CarbonylContact C-O 3.59Å; V325-H330 VanDerWaalsContact CA-O 3.26Å; V325-H330 WeakPolarHBondContact CA-O 3.26Å; V325-H330 WeakPolarHBondContact CG1-O 3.26Å; D326-H330 PolarHBondContact N-O 3.3Å; D326-H330 IonicContact OD1-CG 3.67Å; D326-H330 PolarHBondContact OD1-N 3.38Å; D326-H330 IonicContact OD1-ND1 2.74Å; D326-H330 PolarHBondContact OD1-ND1 3.38Å; D326-H330 WeakPolarHBondContact OD2-CB 3.39Å; D326-H330 IonicContact OD2-CG 3.66Å; D326-H330 IonicContact OD2-ND1 2.72Å; D326-H330 PolarHBondContact OD2-ND1 2.82Å; H330-E332 PolarHBondContact O-N 3.16Å
331L82.4Confident82.2Confident7 Ų750.6 Ų50.64%0.03733%0.325CS..EExtended strand (participates in β ladder)trans-56.1138165.7-70.2-179.6000108.8A43 K303 N304 L313A43-L331 HydrophobicContact CB-CD2 4.17Å; K303-L331 PolarHBondContact O-N 2.91Å; N304-L331 HydrophobicContact CB-CD1 4.42Å; L313-L331 HydrophobicContact CB-CB 3.83Å; L313-L331 HydrophobicContact CB-CD1 4.2Å; L313-L331 VanDerWaalsContact CD1-C 3.41Å; L313-L331 HydrophobicContact CD1-CB 3.92Å; L313-L331 WeakPolarHBondContact CD1-O 3.35Å
332E88.6Confident82.6Confident79 Ų7952.4 Ų52.437%0.36933%0.332SS..EExtended strand (participates in β ladder)trans-140.5158.1171.666.2174.7-172.700109.7K323 G324 D326 H330 V334K323-E332 CarbonylContact C-O 3.58Å; K323-E332 WeakPolarHBondContact CA-O 3.11Å; G324-E332 PolarHBondContact N-O 3.32Å; G324-E332 PolarHBondContact O-N 2.88Å; G324-E332 VanDerWaalsContact O-N 3.07Å; D326-E332 HydrophobicContact CB-CG 4.39Å; D326-E332 WeakPolarHBondContact CB-OE2 3.24Å; H330-E332 PolarHBondContact O-N 3.16Å; E332-V334 HydrophobicContact CG-CG2 4.46Å
333C88.2Confident83.2Confident17 Ų1751 Ų5112%0.11533%0.326CS..EExtended strand (participates in β ladder)trans-91.4120.5168-69.90000109.5C318 I322 C335 V342 C344C318-C333 VanDerWaalsContact CA-SG 3.5Å; C318-C333 HydrophobicContact CB-CB 3.79Å; C318-C333 WeakPolarHBondContact CB-SG 3.46Å; C318-C333 WeakPolarHBondContact SG-CA 3.4Å; C318-C333 WeakPolarHBondContact SG-CB 3.36Å; C318-C333 CovalentContact SG-SG 2.03Å; C318-C333 PolarHBondContact SG-SG 2.87Å; I322-C333 CarbonylContact O-C 3.25Å; I322-C333 WeakPolarHBondContact O-CA 3.23Å; C333-C335 PolarHBondContact O-N 2.81Å; C333-V342 WeakPolarHBondContact CB-O 3.33Å; C333-V342 PolarHBondContact SG-O 3.38Å; C333-C344 WeakPolarHBondContact CB-SG 3.42Å
334V86.9Confident83.6Confident66 Ų6650.7 Ų50.740%0.432%0.324SS..EExtended strand (participates in β ladder)trans-88.6105.1170.5-177.70000107.2G321 I322 E332G321-V334 CarbonylContact C-O 3.55Å; G321-V334 WeakPolarHBondContact CA-O 3.34Å; I322-V334 HydrophobicContact CG1-CB 4.11Å; I322-V334 PolarHBondContact N-O 3.38Å; I322-V334 PolarHBondContact O-N 3.4Å; E332-V334 HydrophobicContact CG-CG2 4.46Å
335C87.4Confident84.2Confident41 Ų4155.5 Ų55.528%0.27734%0.343SS..EExtended strand (participates in β ladder)trans-76.3144.8-172.5-55.20000113.1K320 C333 F339 C344K320-C335 WeakPolarHBondContact O-CA 3.33Å; C333-C335 PolarHBondContact O-N 2.81Å; C335-F339 HydrophobicContact CB-CB 4.12Å; C335-F339 VanDerWaalsContact CB-O 3.25Å; C335-F339 WeakPolarHBondContact CB-O 3.46Å; C335-C344 WeakPolarHBondContact CA-SG 3.33Å; C335-C344 HydrophobicContact CB-CB 3.69Å; C335-C344 WeakPolarHBondContact CB-SG 3.26Å; C335-C344 WeakPolarHBondContact SG-CA 3.26Å; C335-C344 WeakPolarHBondContact SG-CB 3.37Å; C335-C344 CovalentContact SG-SG 2.03Å; C335-C344 PolarHBondContact SG-SG 2.83Å
336D82.6Confident84.6Confident84 Ų8456 Ų5645%0.44935%0.351SS..PPolyproline II helixtrans-60.9155.5168.8-62.5-29.1000110K320 G338 F339K320-D336 PolarHBondContact O-N 2.87Å; D336-G338 PolarHBondContact O-N 3.44Å; D336-F339 HydrophobicContact CB-CD2 3.97Å; D336-F339 PolarHBondContact O-N 3.37Å
337L79.1Confident84.3Confident180 Ų18056.4 Ų56.494%0.94236%0.364SS*.THydrogen-bonded Turntrans-52.3125.6178.8-74.6170.1000111.3
338G80.8Confident83.5Confident41 Ų4157.7 Ų57.742%0.42335%0.347SS..THydrogen-bonded Turntrans88.6-4.3-178.900000114.8D336 K348D336-G338 PolarHBondContact O-N 3.44Å; G338-K348 WeakPolarHBondContact O-CB 3.4Å; G338-K348 PolarHBondContact O-N 3.13Å
339F87.7Confident82.2Confident75 Ų7563.9 Ų63.933%0.32936%0.364SS..EExtended strand (participates in β ladder)trans-104.7149.7172.9-64.5-86.7000111.4K320 C335 D336 C344 A346K320-F339 HydrophobicContact CB-CB 4Å; K320-F339 HydrophobicContact CB-CD1 3.64Å; K320-F339 HydrophobicContact CB-CD2 3.82Å; K320-F339 HydrophobicContact CB-CE1 4.04Å; K320-F339 HydrophobicContact CB-CE2 4.18Å; K320-F339 HydrophobicContact CB-CG 3.52Å; K320-F339 HydrophobicContact CB-CZ 4.29Å; K320-F339 HydrophobicContact CD-CE1 4.32Å; K320-F339 HydrophobicContact CD-CZ 4.19Å; K320-F339 HydrophobicContact CG-CD1 3.69Å; K320-F339 HydrophobicContact CG-CD2 4.39Å; K320-F339 HydrophobicContact CG-CE1 3.63Å; K320-F339 HydrophobicContact CG-CE2 4.33Å; K320-F339 HydrophobicContact CG-CG 4.08Å; K320-F339 HydrophobicContact CG-CZ 3.96Å; C335-F339 HydrophobicContact CB-CB 4.12Å; C335-F339 VanDerWaalsContact CB-O 3.25Å; C335-F339 WeakPolarHBondContact CB-O 3.46Å; D336-F339 HydrophobicContact CB-CD2 3.97Å; D336-F339 PolarHBondContact O-N 3.37Å; F339-C344 HydrophobicContact CB-CB 4.33Å; F339-A346 CarbonylContact C-O 3.53Å
340T89.8Confident80.9Confident59 Ų5974 Ų7436%0.36240%0.401SS..EExtended strand (participates in β ladder)trans-147.7174.3-175.963.40000110C344 E345 A346T340-C344 CarbonylContact O-C 3.44Å; T340-C344 VanDerWaalsContact O-CA 3.29Å; T340-C344 WeakPolarHBondContact O-CA 3Å; T340-E345 PolarHBondContact O-N 3.08Å; T340-A346 PolarHBondContact N-O 2.71Å; T340-A346 WeakPolarHBondContact O-CA 3.19Å; T340-A346 WeakPolarHBondContact O-CB 3.33Å; T340-A346 PolarHBondContact O-N 3.3Å; T340-A346 PolarHBondContact OG1-O 3.22Å
341G88.9Confident78.9Confident39 Ų3978.1 Ų78.140%0.40243%0.43SS..SBendtrans97.7164.1-175.300000112L343 C344G341-L343 PolarHBondContact O-N 2.91Å; G341-C344 PolarHBondContact O-N 3.19Å; G341-C344 VanDerWaalsContact O-N 3.11Å
342V91.4Very high76.7Confident56 Ų5684.3 Ų84.334%0.33946%0.461SS..THydrogen-bonded Turntrans-65.2-29.7-173.5176.90000111.8A306 T309 I311 C333A306-V342 HydrophobicContact CB-CG1 3.29Å; T309-V342 HydrophobicContact CG2-CG1 4.45Å; T309-V342 HydrophobicContact CG2-CG2 4.3Å; I311-V342 HydrophobicContact CD1-CB 4.33Å; I311-V342 HydrophobicContact CD1-CG1 4Å; C333-V342 WeakPolarHBondContact CB-O 3.33Å; C333-V342 PolarHBondContact SG-O 3.38Å
343L92.6Very high74.2Confident27 Ų2788.2 Ų88.214%0.14148%0.484CS..THydrogen-bonded Turntrans-110.714.4176-61.3175.5000112I311 L313 K316 K319 G341 E345I311-L343 HydrophobicContact CG2-CD1 4.35Å; I311-L343 HydrophobicContact CG2-CD2 3.92Å; I311-L343 HydrophobicContact CG2-CG 4.34Å; L313-L343 HydrophobicContact CD2-CD2 3.28Å; K316-L343 HydrophobicContact CB-CD2 4.09Å; K319-L343 WeakPolarHBondContact CB-O 3.49Å; K319-L343 HydrophobicContact CG-CB 4.44Å; K319-L343 PolarHBondContact N-O 2.04Å; G341-L343 PolarHBondContact O-N 2.91Å; L343-E345 WeakPolarHBondContact CA-OE2 3.43Å; L343-E345 VanDerWaalsContact CB-OE2 3.3Å; L343-E345 WeakPolarHBondContact CB-OE2 3.26Å; L343-E345 PolarHBondContact N-OE2 3.23Å; L343-E345 PolarHBondContact O-N 3.19Å
344C91.5Very high71.6Confident0 Ų095.8 Ų95.80%052%0.517CS..SBendtrans5634.4-173.6-49.30000113.6K320 C333 C335 F339 T340 G341K320-C344 HydrophobicContact CB-CB 4.23Å; K320-C344 WeakPolarHBondContact CB-O 3.39Å; K320-C344 WeakPolarHBondContact O-CB 3.17Å; C333-C344 WeakPolarHBondContact CB-SG 3.42Å; C335-C344 WeakPolarHBondContact CA-SG 3.33Å; C335-C344 HydrophobicContact CB-CB 3.69Å; C335-C344 WeakPolarHBondContact CB-SG 3.26Å; C335-C344 WeakPolarHBondContact SG-CA 3.26Å; C335-C344 WeakPolarHBondContact SG-CB 3.37Å; C335-C344 CovalentContact SG-SG 2.03Å; C335-C344 PolarHBondContact SG-SG 2.83Å; F339-C344 HydrophobicContact CB-CB 4.33Å; T340-C344 CarbonylContact O-C 3.44Å; T340-C344 VanDerWaalsContact O-CA 3.29Å; T340-C344 WeakPolarHBondContact O-CA 3Å; G341-C344 PolarHBondContact O-N 3.19Å; G341-C344 VanDerWaalsContact O-N 3.11Å
345E90.5Very high69.3Low112 Ų11297.2 Ų97.252%0.52353%0.53SS..  trans-84.7-23-177.371.2-78.6-171.400113.3K319 T340 L343K319-E345 HydrophobicContact CG-CB 4.18Å; T340-E345 PolarHBondContact O-N 3.08Å; L343-E345 WeakPolarHBondContact CA-OE2 3.43Å; L343-E345 VanDerWaalsContact CB-OE2 3.3Å; L343-E345 WeakPolarHBondContact CB-OE2 3.26Å; L343-E345 PolarHBondContact N-OE2 3.23Å; L343-E345 PolarHBondContact O-N 3.19Å
346A85.5Confident66.8Low43 Ų4399.4 Ų99.436%0.35555%0.552SS.*EExtended strand (participates in β ladder)trans-95.6105.9-177.200000110.2F339 T340F339-A346 CarbonylContact C-O 3.53Å; T340-A346 PolarHBondContact N-O 2.71Å; T340-A346 WeakPolarHBondContact O-CA 3.19Å; T340-A346 WeakPolarHBondContact O-CB 3.33Å; T340-A346 PolarHBondContact O-N 3.3Å; T340-A346 PolarHBondContact OG1-O 3.22Å
347G72.4Confident64.4Low45 Ų45104.2 Ų104.246%0.46457%0.569SS.*EExtended strand (participates in β ladder)trans-77.7143.617100000112
348K57.3Low62.4Low146 Ų146101 Ų10164%0.63556%0.557SS**  trans-85.3129.3167.8-90.4-175.3174.91780110.6G338 Y350G338-K348 WeakPolarHBondContact O-CB 3.4Å; G338-K348 PolarHBondContact O-N 3.13Å; K348-Y350 PolarHBondContact O-N 3.26Å
349H47.3Very low60.3Low175 Ų175105.7 Ų105.781%0.8157%0.568SS**  trans-36.1124.5146.7-73.3-117.8000110V351H349-V351 PolarHBondContact O-N 3.42Å; H349-V351 VanDerWaalsContact O-N 3.1Å
350Y47.1Very low57.9Low217 Ų217111.9 Ų111.985%0.85160%0.595SS**  trans-54.8117171.3-45.6-85.1000108.6K348 I352K348-Y350 PolarHBondContact O-N 3.26Å; Y350-I352 VanDerWaalsContact C-N 3.33Å; Y350-I352 PolarHBondContact O-N 3.29Å
351V38.7Very low55.9Low132 Ų132120.6 Ų120.680%0.863%0.628SS**  trans-75.599.9155.7-177.70000104.1H349 L353H349-V351 PolarHBondContact O-N 3.42Å; H349-V351 VanDerWaalsContact O-N 3.1Å; V351-L353 PolarHBondContact O-N 3.1Å
352I37.6Very low54.3Low136 Ų136124.7 Ų124.770%0.69764%0.639SS**  trans-62.6107.8167.6-60.6174.5000105.1Y350 E354Y350-I352 VanDerWaalsContact C-N 3.33Å; Y350-I352 PolarHBondContact O-N 3.29Å; I352-E354 HydrophobicContact CG2-CG 4.15Å; I352-E354 PolarHBondContact O-N 2.79Å
353L35.3Very low52.3Low162 Ų162128.3 Ų128.385%0.84866%0.655SS**  trans-68.694.3157.8-75.7166.7000105.1V351 S355V351-L353 PolarHBondContact O-N 3.1Å; L353-S355 VanDerWaalsContact C-N 3.32Å; L353-S355 PolarHBondContact O-N 3.08Å
354E33.8Very low50.1Low175 Ų175133.9 Ų133.982%0.81868%0.683SS**  trans-57.9106.5162.1-78.9-169.1162.500106.1I352 A356I352-E354 HydrophobicContact CG2-CG 4.15Å; I352-E354 PolarHBondContact O-N 2.79Å; E354-A356 VanDerWaalsContact C-N 3.3Å; E354-A356 PolarHBondContact O-N 2.99Å
355S38Very low47.6Very low96 Ų96141.8 Ų141.867%0.67172%0.724SS**  trans-59102.4163.554.90000106.3L353 F357L353-S355 VanDerWaalsContact C-N 3.32Å; L353-S355 PolarHBondContact O-N 3.08Å; S355-F357 PolarHBondContact O-N 3.22Å
356A34.3Very low45Very low88 Ų88143.6 Ų143.673%0.72774%0.736SS**  trans-61.695.3163.700000107E354 V358E354-A356 VanDerWaalsContact C-N 3.3Å; E354-A356 PolarHBondContact O-N 2.99Å; A356-V358 PolarHBondContact O-N 3.49Å
357F33.1Very low42.2Very low184 Ų184150.3 Ų150.381%0.80776%0.762SS**  trans-60.495.5157.6-112.3-95000106S355 Q359S355-F357 PolarHBondContact O-N 3.22Å; F357-Q359 VanDerWaalsContact C-N 3.29Å; F357-Q359 PolarHBondContact O-N 2.92Å
358V36.3Very low40.1Very low113 Ų113157.9 Ų157.969%0.68578%0.783SS**  trans-70.796.9161.3178.40000105.5A356 F360A356-V358 PolarHBondContact O-N 3.49Å; V358-F360 PolarHBondContact O-N 3.26Å
359Q37.1Very low38.8Very low140 Ų140158.8 Ų158.865%0.65479%0.794SS**  trans-60.1114.4164.2-85.8177.2-48.500107.9F357 F361F357-Q359 VanDerWaalsContact C-N 3.29Å; F357-Q359 PolarHBondContact O-N 2.92Å; Q359-F361 HydrophobicContact CB-CD2 4.08Å; Q359-F361 HydrophobicContact CB-CE2 4.24Å; Q359-F361 HydrophobicContact CG-CE2 4.47Å; Q359-F361 PolarHBondContact O-N 3.32Å
360F37.2Very low38.1Very low204 Ų204157.4 Ų157.490%0.89579%0.793SS**  trans-71.8110.4153.3-83.7-91.5000107V358V358-F360 PolarHBondContact O-N 3.26Å
361F48.4Very low37.3Very low242 Ų242152 Ų152100%1.06179%0.788SS**  trans-960159-92.4-78.2000109.3Q359Q359-F361 HydrophobicContact CB-CD2 4.08Å; Q359-F361 HydrophobicContact CB-CE2 4.24Å; Q359-F361 HydrophobicContact CG-CE2 4.47Å; Q359-F361 PolarHBondContact O-N 3.32Å

Retrieved 361 of 361 residues in 169.5 ms (Link to these results)

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