A0A077ZA47_TRITR Loading...

BrkDBD domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZA47, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 141 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
1M37.3Very low72.6Confident244 Ų244116.3 Ų116.3100%1.20257%0.574SS**  0130.40-72.6171.9-177.600109.5S3M1-S3 PolarHBondContact O-N 3.25Å
2R48.4Very low74.6Confident244 Ų244111.3 Ų111.392%0.92155%0.546SS*.  trans-62.2119.8168.7-97.2180-153.9162.99.7107.5L4R2-L4 PolarHBondContact O-N 2.93Å; R2-L4 VanDerWaalsContact O-N 3.08Å
3S49.2Very low76.3Confident95 Ų95104.5 Ų104.566%0.66451%0.512SS*.  trans-57.2116.1165.3170.50000108.1M1 T5M1-S3 PolarHBondContact O-N 3.25Å; S3-T5 PolarHBondContact O-N 3.26Å; S3-T5 VanDerWaalsContact OG-CG2 3.27Å; S3-T5 WeakPolarHBondContact OG-CG2 3.3Å
4L57Low77.9Confident167 Ų167100.1 Ų100.187%0.87449%0.492SS*.  trans-7265.4170.9-75.6166.5000108.4R2 R6R2-L4 PolarHBondContact O-N 2.93Å; R2-L4 VanDerWaalsContact O-N 3.08Å; L4-R6 PolarHBondContact O-N 3.1Å
5T65.4Low79.2Confident112 Ų112101 Ų10169%0.68749%0.494SS*.  trans-59.7112172.654.90000108S3 S7S3-T5 PolarHBondContact O-N 3.26Å; S3-T5 VanDerWaalsContact OG-CG2 3.27Å; S3-T5 WeakPolarHBondContact OG-CG2 3.3Å; T5-S7 PolarHBondContact O-N 2.99Å
6R79.2Confident80.4Confident192 Ų19294.7 Ų94.773%0.72546%0.463SS*.  trans-61.9125.5175.2-72.4-175177.3-155-0.3108.3L4 Y8L4-R6 PolarHBondContact O-N 3.1Å; R6-Y8 HydrophobicContact CB-CD2 4.38Å; R6-Y8 HydrophobicContact CB-CE2 3.49Å; R6-Y8 VanDerWaalsContact CB-CE2 3.49Å; R6-Y8 WeakPolarHBondContact CB-OH 3.44Å; R6-Y8 VanDerWaalsContact CD-OH 3.24Å; R6-Y8 WeakPolarHBondContact CD-OH 3.47Å; R6-Y8 WeakPolarHBondContact O-CD2 3.45Å; R6-Y8 VanDerWaalsContact O-CE2 3.32Å; R6-Y8 WeakPolarHBondContact O-CE2 3.39Å
7S85.6Confident81.4Confident67 Ų6789.6 Ų89.647%0.46944%0.439SS..  trans-99.1122177.160.30000110.2T5 R57T5-S7 PolarHBondContact O-N 2.99Å; S7-R57 PolarHBondContact O-NH1 2.98Å; S7-R57 VanDerWaalsContact OG-CD 3.3Å; S7-R57 WeakPolarHBondContact OG-CD 3.29Å; S7-R57 PolarHBondContact OG-NH1 3.3Å
8Y93.3Very high82.3Confident33 Ų3392 Ų9213%0.12945%0.447CS..  trans-105.7140.4-175.7-60.6-89000111R6 F12 K13 V34 M38 W42 R57R6-Y8 HydrophobicContact CB-CD2 4.38Å; R6-Y8 HydrophobicContact CB-CE2 3.49Å; R6-Y8 VanDerWaalsContact CB-CE2 3.49Å; R6-Y8 WeakPolarHBondContact CB-OH 3.44Å; R6-Y8 VanDerWaalsContact CD-OH 3.24Å; R6-Y8 WeakPolarHBondContact CD-OH 3.47Å; R6-Y8 WeakPolarHBondContact O-CD2 3.45Å; R6-Y8 VanDerWaalsContact O-CE2 3.32Å; R6-Y8 WeakPolarHBondContact O-CE2 3.39Å; Y8-F12 AromaticContact CD1-CD1 3.44Å; Y8-F12 HydrophobicContact CD1-CD1 3.44Å; Y8-F12 VanDerWaalsContact CD1-CD1 3.44Å; Y8-F12 AromaticContact CD1-CE1 3.22Å; Y8-F12 HydrophobicContact CD1-CE1 3.22Å; Y8-F12 HydrophobicContact CD1-CG 4.32Å; Y8-F12 AromaticContact CD1-CZ 3.97Å; Y8-F12 HydrophobicContact CD1-CZ 3.97Å; Y8-F12 HydrophobicContact CE1-CD1 4.31Å; Y8-F12 AromaticContact CE1-CE1 3.65Å; Y8-F12 HydrophobicContact CE1-CE1 3.65Å; Y8-F12 HydrophobicContact CE1-CZ 4.07Å; Y8-F12 AromaticContact CG-CD1 3.97Å; Y8-F12 HydrophobicContact CG-CD1 3.97Å; Y8-F12 HydrophobicContact CG-CE1 4.02Å; Y8-K13 VanDerWaalsContact O-CE 3.3Å; Y8-K13 WeakPolarHBondContact O-CE 3.48Å; Y8-V34 HydrophobicContact CE1-CG1 3.99Å; Y8-M38 HydrophobicContact CD2-CE 3.58Å; Y8-M38 HydrophobicContact CE2-CE 3.21Å; Y8-M38 HydrophobicContact CE2-SD 4.42Å; Y8-W42 HydrophobicContact CD1-CH2 4.32Å; Y8-W42 AromaticContact CD2-CH2 3.71Å; Y8-W42 HydrophobicContact CD2-CH2 3.71Å; Y8-W42 AromaticContact CD2-CZ2 3.67Å; Y8-W42 HydrophobicContact CD2-CZ2 3.67Å; Y8-W42 HydrophobicContact CE2-CH2 4.17Å; Y8-W42 HydrophobicContact CE2-CZ2 4.34Å; Y8-W42 AromaticContact CG-CH2 3.78Å; Y8-W42 HydrophobicContact CG-CH2 3.78Å; Y8-W42 HydrophobicContact CG-CZ2 4.02Å; Y8-R57 VanDerWaalsContact O-CA 3.29Å; Y8-R57 WeakPolarHBondContact O-CA 3.4Å
9K94.1Very high83.1Confident109 Ų10988.6 Ų88.647%0.47443%0.43SS..  trans-64.1146.4172.5-68.9179.4-178.2172.20110.1G11 F12 K13 K56 R57K9-G11 PolarHBondContact O-N 2.96Å; K9-F12 HydrophobicContact CB-CB 4.49Å; K9-F12 WeakPolarHBondContact O-CB 3.41Å; K9-F12 PolarHBondContact O-N 3.04Å; K9-F12 VanDerWaalsContact O-N 3.14Å; K9-K13 WeakPolarHBondContact O-CG 3.45Å; K9-K13 PolarHBondContact O-N 3.25Å; K9-K13 VanDerWaalsContact O-N 3.08Å; K9-K56 CarbonylContact C-O 3.46Å; K9-R57 HydrophobicContact CG-CG 4.37Å
10A93.6Very high83.8Confident0 Ų084.3 Ų84.30%041%0.41CS..Hα-helixtrans-57.3-39178.200000112.2F12 K13 L14 L49 M52 K54 K56A10-F12 PolarHBondContact O-N 3.35Å; A10-K13 PolarHBondContact O-N 2.95Å; A10-L14 WeakPolarHBondContact O-CG 3.46Å; A10-L14 PolarHBondContact O-N 3.36Å; A10-L49 HydrophobicContact CB-CD2 4.33Å; A10-M52 HydrophobicContact CB-CB 4.11Å; A10-M52 HydrophobicContact CB-CG 4.14Å; A10-M52 HydrophobicContact CB-SD 3.88Å; A10-K54 PolarHBondContact N-O 3.19Å; A10-K56 WeakPolarHBondContact CB-O 3.27Å; A10-K56 PolarHBondContact N-O 3.4Å
11G95.6Very high84.4Confident16 Ų1687.1 Ų87.117%0.16542%0.42CS..Hα-helixtrans-57.6-47.217500000112.8K9 K13 L14 E15 K54K9-G11 PolarHBondContact O-N 2.96Å; G11-K13 PolarHBondContact O-N 3.39Å; G11-L14 WeakPolarHBondContact O-CB 3.3Å; G11-L14 PolarHBondContact O-N 3.47Å; G11-E15 PolarHBondContact O-N 3.41Å; G11-E15 VanDerWaalsContact O-N 3.11Å; G11-K54 PolarHBondContact N-O 3.17Å
12F97Very high87.3Confident56 Ų5681.3 Ų81.325%0.24639%0.39CS..Hα-helixtrans-60.7-45.7176.1175.5-89.4000111.6Y8 K9 A10 L14 E15 V16 Y32 V34 W42Y8-F12 AromaticContact CD1-CD1 3.44Å; Y8-F12 HydrophobicContact CD1-CD1 3.44Å; Y8-F12 VanDerWaalsContact CD1-CD1 3.44Å; Y8-F12 AromaticContact CD1-CE1 3.22Å; Y8-F12 HydrophobicContact CD1-CE1 3.22Å; Y8-F12 HydrophobicContact CD1-CG 4.32Å; Y8-F12 AromaticContact CD1-CZ 3.97Å; Y8-F12 HydrophobicContact CD1-CZ 3.97Å; Y8-F12 HydrophobicContact CE1-CD1 4.31Å; Y8-F12 AromaticContact CE1-CE1 3.65Å; Y8-F12 HydrophobicContact CE1-CE1 3.65Å; Y8-F12 HydrophobicContact CE1-CZ 4.07Å; Y8-F12 AromaticContact CG-CD1 3.97Å; Y8-F12 HydrophobicContact CG-CD1 3.97Å; Y8-F12 HydrophobicContact CG-CE1 4.02Å; K9-F12 HydrophobicContact CB-CB 4.49Å; K9-F12 WeakPolarHBondContact O-CB 3.41Å; K9-F12 PolarHBondContact O-N 3.04Å; K9-F12 VanDerWaalsContact O-N 3.14Å; A10-F12 PolarHBondContact O-N 3.35Å; F12-L14 PolarHBondContact O-N 3.33Å; F12-E15 PolarHBondContact O-N 2.68Å; F12-E15 VanDerWaalsContact O-N 3.13Å; F12-V16 HydrophobicContact CD1-CG2 4.05Å; F12-V16 HydrophobicContact CE1-CG2 3.64Å; F12-V16 HydrophobicContact CZ-CG2 3.92Å; F12-V16 WeakPolarHBondContact O-CG2 3.26Å; F12-V16 PolarHBondContact O-N 3Å; F12-Y32 HydrophobicContact CE2-CD1 4Å; F12-Y32 HydrophobicContact CZ-CD1 4.21Å; F12-Y32 HydrophobicContact CZ-CG 4.48Å; F12-V34 HydrophobicContact CE1-CG1 4.05Å; F12-V34 HydrophobicContact CZ-CG1 4.27Å; F12-W42 HydrophobicContact CD1-CH2 4.44Å; F12-W42 HydrophobicContact CD1-CZ3 4.45Å; F12-W42 HydrophobicContact CE1-CH2 4.17Å; F12-W42 HydrophobicContact CE1-CZ3 4.16Å
13K96.8Very high89.6Confident23 Ų2372.6 Ų72.610%0.136%0.364CS..Hα-helixtrans-58.4-39.1178.2-63177.4177.2173.30111.5Y8 K9 A10 G11 V16 V17 W42 L49 R57Y8-K13 VanDerWaalsContact O-CE 3.3Å; Y8-K13 WeakPolarHBondContact O-CE 3.48Å; K9-K13 WeakPolarHBondContact O-CG 3.45Å; K9-K13 PolarHBondContact O-N 3.25Å; K9-K13 VanDerWaalsContact O-N 3.08Å; A10-K13 PolarHBondContact O-N 2.95Å; G11-K13 PolarHBondContact O-N 3.39Å; K13-V16 PolarHBondContact O-N 3.41Å; K13-V17 VanDerWaalsContact O-CG2 3.27Å; K13-V17 WeakPolarHBondContact O-CG2 3.49Å; K13-V17 PolarHBondContact O-N 3.16Å; K13-W42 HydrophobicContact CB-CD2 3.87Å; K13-W42 HydrophobicContact CB-CE3 4.01Å; K13-W42 HydrophobicContact CB-CG 4.12Å; K13-W42 HydrophobicContact CD-CD2 4.06Å; K13-W42 HydrophobicContact CD-CG 4.19Å; K13-W42 HydrophobicContact CD-CZ2 4.11Å; K13-W42 HydrophobicContact CG-CD2 3.67Å; K13-W42 HydrophobicContact CG-CE3 3.98Å; K13-W42 HydrophobicContact CG-CG 4.18Å; K13-W42 HydrophobicContact CG-CH2 4.05Å; K13-W42 HydrophobicContact CG-CZ2 3.75Å; K13-W42 HydrophobicContact CG-CZ3 4.17Å; K13-L49 HydrophobicContact CB-CD1 3.91Å; K13-L49 HydrophobicContact CB-CD2 4.13Å; K13-L49 HydrophobicContact CD-CD1 4.45Å; K13-L49 HydrophobicContact CD-CD2 3.65Å; K13-R57 PolarHBondContact NZ-O 3.48Å
14L97.6Very high91.9Very high44 Ų4471.2 Ų71.223%0.2335%0.349CS..Hα-helixtrans-66.3-38.6176.7-73168.9000112.7A10 G11 F12 V17 K18 L49 K50A10-L14 WeakPolarHBondContact O-CG 3.46Å; A10-L14 PolarHBondContact O-N 3.36Å; G11-L14 WeakPolarHBondContact O-CB 3.3Å; G11-L14 PolarHBondContact O-N 3.47Å; F12-L14 PolarHBondContact O-N 3.33Å; L14-V17 PolarHBondContact O-N 2.95Å; L14-K18 WeakPolarHBondContact O-CB 3.37Å; L14-K18 PolarHBondContact O-N 3.17Å; L14-L49 HydrophobicContact CD2-CB 3.81Å; L14-L49 HydrophobicContact CG-CB 4.13Å; L14-K50 HydrophobicContact CD2-CG 4.02Å
15E97.7Very high93.8Very high113 Ų11365.4 Ų65.453%0.52832%0.319SS..Hα-helixtrans-63.3-42.4174.7-69.8174.4143.200111.8G11 F12 V17 K18 M19G11-E15 PolarHBondContact O-N 3.41Å; G11-E15 VanDerWaalsContact O-N 3.11Å; F12-E15 PolarHBondContact O-N 2.68Å; F12-E15 VanDerWaalsContact O-N 3.13Å; E15-V17 VanDerWaalsContact C-N 3.35Å; E15-K18 PolarHBondContact O-N 3.07Å; E15-M19 PolarHBondContact O-N 2.89Å
16V97.9Very high95.3Very high0 Ų062.3 Ų62.30%031%0.305CS..Hα-helixtrans-62.4-43.9174.7-179.70000110.9F12 K13 M19 A20 A28 Y32 V34 V39 W42F12-V16 HydrophobicContact CD1-CG2 4.05Å; F12-V16 HydrophobicContact CE1-CG2 3.64Å; F12-V16 HydrophobicContact CZ-CG2 3.92Å; F12-V16 WeakPolarHBondContact O-CG2 3.26Å; F12-V16 PolarHBondContact O-N 3Å; K13-V16 PolarHBondContact O-N 3.41Å; V16-M19 PolarHBondContact O-N 2.77Å; V16-A20 WeakPolarHBondContact O-CB 3.25Å; V16-A20 PolarHBondContact O-N 2.94Å; V16-A28 HydrophobicContact CG1-CB 4.42Å; V16-Y32 HydrophobicContact CB-CD2 4.26Å; V16-Y32 HydrophobicContact CG1-CD2 4.23Å; V16-Y32 HydrophobicContact CG2-CD1 4.05Å; V16-Y32 HydrophobicContact CG2-CD2 3.75Å; V16-Y32 HydrophobicContact CG2-CE2 4.23Å; V16-Y32 HydrophobicContact CG2-CG 3.64Å; V16-V34 HydrophobicContact CG1-CG2 4.18Å; V16-V39 HydrophobicContact CG1-CB 4.49Å; V16-V39 HydrophobicContact CG1-CG1 4.25Å; V16-V39 HydrophobicContact CG1-CG2 3.78Å; V16-W42 HydrophobicContact CB-CE3 4.14Å; V16-W42 HydrophobicContact CB-CZ3 4.12Å; V16-W42 HydrophobicContact CG1-CE3 4.12Å; V16-W42 HydrophobicContact CG1-CZ3 4.1Å; V16-W42 HydrophobicContact CG2-CZ3 4.06Å
17V97.4Very high96.2Very high8 Ų858 Ų585%0.04829%0.293CS..Hα-helixtrans-63-41.3176.7166.70000111.6K13 L14 E15 A20 K21 W42 K43K13-V17 VanDerWaalsContact O-CG2 3.27Å; K13-V17 WeakPolarHBondContact O-CG2 3.49Å; K13-V17 PolarHBondContact O-N 3.16Å; L14-V17 PolarHBondContact O-N 2.95Å; E15-V17 VanDerWaalsContact C-N 3.35Å; V17-A20 PolarHBondContact O-N 3.45Å; V17-K21 HydrophobicContact CG1-CD 4.47Å; V17-K21 WeakPolarHBondContact O-CG 3.37Å; V17-K21 PolarHBondContact O-N 2.93Å; V17-K21 VanDerWaalsContact O-N 3.1Å; V17-W42 HydrophobicContact CG2-CB 3.63Å; V17-K43 HydrophobicContact CB-CG 4.49Å; V17-K43 HydrophobicContact CG1-CG 4.08Å; V17-K43 HydrophobicContact CG2-CG 4.11Å
18K97.7Very high96.8Very high133 Ų13354.8 Ų54.858%0.57827%0.27SS*.Hα-helixtrans-59.2-52.6176.3-178.3-178.5172.2-1760110.6L14 E15 A20 K21 E22L14-K18 WeakPolarHBondContact O-CB 3.37Å; L14-K18 PolarHBondContact O-N 3.17Å; E15-K18 PolarHBondContact O-N 3.07Å; K18-A20 VanDerWaalsContact C-N 3.29Å; K18-A20 PolarHBondContact O-N 3.34Å; K18-K21 WeakPolarHBondContact O-CB 3.42Å; K18-K21 PolarHBondContact O-N 2.62Å; K18-E22 WeakPolarHBondContact CE-OE1 3.43Å; K18-E22 WeakPolarHBondContact CG-OE1 3.33Å; K18-E22 PolarHBondContact O-N 2.74Å; K18-E22 VanDerWaalsContact O-N 3.13Å
19M97.9Very high97Very high27 Ų2753.5 Ų53.513%0.13327%0.266CS..Hα-helixtrans-56.7-43.2176.5-176.579-133.400111.9E15 V16 K21 E22 T23 A28 K31 Y32E15-M19 PolarHBondContact O-N 2.89Å; V16-M19 PolarHBondContact O-N 2.77Å; M19-K21 PolarHBondContact O-N 3.35Å; M19-E22 PolarHBondContact O-N 3.2Å; M19-E22 VanDerWaalsContact O-N 3.16Å; M19-T23 HydrophobicContact CE-CG2 3.3Å; M19-T23 WeakPolarHBondContact CE-OG1 3.48Å; M19-T23 PolarHBondContact O-N 3.25Å; M19-T23 PolarHBondContact O-OG1 2.78Å; M19-A28 HydrophobicContact CB-CB 4.27Å; M19-A28 HydrophobicContact CG-CB 4.01Å; M19-K31 HydrophobicContact CG-CD 4.23Å; M19-K31 HydrophobicContact SD-CD 3.73Å; M19-K31 PolarHBondContact SD-NZ 3.49Å; M19-K31 VanDerWaalsContact SD-NZ 3.4Å; M19-Y32 HydrophobicContact CB-CE2 3.67Å; M19-Y32 HydrophobicContact CG-CE2 3.85Å
20A97.8Very high97.1Very high2 Ų258.8 Ų58.82%0.01728%0.283CS..Hα-helixtrans-70.7-13.6-179.300000114.4V16 V17 K18 A28 V39 K43V16-A20 WeakPolarHBondContact O-CB 3.25Å; V16-A20 PolarHBondContact O-N 2.94Å; V17-A20 PolarHBondContact O-N 3.45Å; K18-A20 VanDerWaalsContact C-N 3.29Å; K18-A20 PolarHBondContact O-N 3.34Å; A20-A28 HydrophobicContact CB-CB 3.68Å; A20-V39 HydrophobicContact CB-CG1 3.41Å; A20-V39 VanDerWaalsContact CB-CG1 3.41Å; A20-K43 HydrophobicContact CB-CD 3.96Å; A20-K43 PolarHBondContact O-NZ 2.92Å
21K96.8Very high97.3Very high144 Ų14465.3 Ų65.363%0.62631%0.311SS*.Hα-helixtrans-87.6-33.4169.8-72.9179.3176.7-170.30111.7V17 K18 M19V17-K21 HydrophobicContact CG1-CD 4.47Å; V17-K21 WeakPolarHBondContact O-CG 3.37Å; V17-K21 PolarHBondContact O-N 2.93Å; V17-K21 VanDerWaalsContact O-N 3.1Å; K18-K21 WeakPolarHBondContact O-CB 3.42Å; K18-K21 PolarHBondContact O-N 2.62Å; M19-K21 PolarHBondContact O-N 3.35Å
22E97.3Very high97.4Very high123 Ų12367.8 Ų67.858%0.57532%0.316SS*.Hα-helixtrans-77.3-29.6177.9-68.7166.6179.600112.4K18 M19K18-E22 WeakPolarHBondContact CE-OE1 3.43Å; K18-E22 WeakPolarHBondContact CG-OE1 3.33Å; K18-E22 PolarHBondContact O-N 2.74Å; K18-E22 VanDerWaalsContact O-N 3.13Å; M19-E22 PolarHBondContact O-N 3.2Å; M19-E22 VanDerWaalsContact O-N 3.16Å
23T96.5Very high97.3Very high61 Ų6167.7 Ų67.737%0.37433%0.332SS..SBendtrans-122.7-102.4176.463.40000112.2M19 Q27M19-T23 HydrophobicContact CE-CG2 3.3Å; M19-T23 WeakPolarHBondContact CE-OG1 3.48Å; M19-T23 PolarHBondContact O-N 3.25Å; M19-T23 PolarHBondContact O-OG1 2.78Å; T23-Q27 PolarHBondContact OG1-OE1 2.77Å
24N97Very high97.2Very high66 Ų6667.3 Ų67.335%0.35333%0.331SS..  trans-156.2169175.564.264.9000110.6A26 Q27 A28N24-A26 VanDerWaalsContact C-N 3.32Å; N24-A26 PolarHBondContact O-N 3.44Å; N24-A26 PolarHBondContact OD1-N 3.47Å; N24-A26 VanDerWaalsContact OD1-N 3.08Å; N24-Q27 PolarHBondContact ND2-NE2 3.26Å; N24-Q27 PolarHBondContact O-N 2.8Å; N24-Q27 PolarHBondContact OD1-N 3.38Å; N24-A28 PolarHBondContact O-N 3.25Å; N24-A28 VanDerWaalsContact O-N 3.11Å
25N97.2Very high97.1Very high45 Ų4568.8 Ų68.824%0.24134%0.342CS..Hα-helixtrans-63.1-36.7-174.6-57.5-24.6000112.7A29 V39 I40 K43N25-A29 VanDerWaalsContact O-CB 3.22Å; N25-A29 WeakPolarHBondContact O-CB 3.31Å; N25-A29 PolarHBondContact O-N 2.93Å; N25-V39 HydrophobicContact CB-CG1 4.19Å; N25-I40 WeakPolarHBondContact ND2-CG1 3.43Å; N25-K43 VanDerWaalsContact OD1-CD 3.25Å; N25-K43 WeakPolarHBondContact OD1-CD 3.34Å; N25-K43 PolarHBondContact OD1-NZ 3.47Å
26A97.4Very high97Very high47 Ų4766.5 Ų66.539%0.38834%0.337SS..Hα-helixtrans-71.7-42.7-17700000111.8N24 A29 R30N24-A26 VanDerWaalsContact C-N 3.32Å; N24-A26 PolarHBondContact O-N 3.44Å; N24-A26 PolarHBondContact OD1-N 3.47Å; N24-A26 VanDerWaalsContact OD1-N 3.08Å; A26-A29 PolarHBondContact O-N 3.01Å; A26-R30 WeakPolarHBondContact O-CG 3.42Å; A26-R30 PolarHBondContact O-N 3.28Å
27Q97.6Very high96.9Very high101 Ų10172.3 Ų72.347%0.47236%0.362SS..Hα-helixtrans-65.2-43.4175.6-74.4-176.711.600111.7T23 N24 A29 R30 K31T23-Q27 PolarHBondContact OG1-OE1 2.77Å; N24-Q27 PolarHBondContact ND2-NE2 3.26Å; N24-Q27 PolarHBondContact O-N 2.8Å; N24-Q27 PolarHBondContact OD1-N 3.38Å; Q27-A29 VanDerWaalsContact C-N 3.35Å; Q27-A29 PolarHBondContact O-N 3.27Å; Q27-R30 PolarHBondContact O-N 2.98Å; Q27-K31 WeakPolarHBondContact O-CB 3.46Å; Q27-K31 PolarHBondContact O-N 3.17Å
28A98Very high96.8Very high0 Ų074.2 Ų74.20%037%0.371CS..Hα-helixtrans-61.1-44.7175.100000111.6V16 M19 A20 N24 R30 K31 Y32 V39V16-A28 HydrophobicContact CG1-CB 4.42Å; M19-A28 HydrophobicContact CB-CB 4.27Å; M19-A28 HydrophobicContact CG-CB 4.01Å; A20-A28 HydrophobicContact CB-CB 3.68Å; N24-A28 PolarHBondContact O-N 3.25Å; N24-A28 VanDerWaalsContact O-N 3.11Å; A28-R30 PolarHBondContact O-N 2.96Å; A28-K31 PolarHBondContact O-N 3.23Å; A28-Y32 VanDerWaalsContact O-CD2 3.29Å; A28-Y32 WeakPolarHBondContact O-CD2 3.33Å; A28-Y32 PolarHBondContact O-N 2.98Å; A28-V39 HydrophobicContact CB-CG1 4.34Å
29A97.5Very high96.8Very high5 Ų567.9 Ų67.94%0.04134%0.344CS..Hα-helixtrans-56.6-48.317600000112.3N25 A26 Q27 G33 V34 P36 V39N25-A29 VanDerWaalsContact O-CB 3.22Å; N25-A29 WeakPolarHBondContact O-CB 3.31Å; N25-A29 PolarHBondContact O-N 2.93Å; A26-A29 PolarHBondContact O-N 3.01Å; Q27-A29 VanDerWaalsContact C-N 3.35Å; Q27-A29 PolarHBondContact O-N 3.27Å; A29-G33 PolarHBondContact O-N 3.14Å; A29-V34 CarbonylContact C-O 3.6Å; A29-V34 WeakPolarHBondContact CA-O 3.19Å; A29-V34 HydrophobicContact CB-CG2 4.46Å; A29-V34 VanDerWaalsContact CB-O 3.27Å; A29-V34 WeakPolarHBondContact CB-O 3.45Å; A29-V34 PolarHBondContact O-N 3.4Å; A29-V34 VanDerWaalsContact O-N 3.08Å; A29-P36 HydrophobicContact CB-CB 4.38Å; A29-P36 HydrophobicContact CB-CG 3.86Å; A29-V39 HydrophobicContact CB-CG2 4.04Å
30R97.4Very high96.8Very high220 Ų22069.7 Ų69.783%0.8335%0.353SS*.Hα-helixtrans-60.9-48.2176.6-72.2178.2-177.1-164.81.3112A26 Q27 A28 Y32 G33A26-R30 WeakPolarHBondContact O-CG 3.42Å; A26-R30 PolarHBondContact O-N 3.28Å; Q27-R30 PolarHBondContact O-N 2.98Å; A28-R30 PolarHBondContact O-N 2.96Å; R30-Y32 VanDerWaalsContact C-N 3.33Å; R30-Y32 PolarHBondContact O-N 3.31Å; R30-G33 PolarHBondContact O-N 3.06Å
31K97.6Very high96.7Very high137 Ų13772.1 Ų72.160%0.59637%0.366SS*.Hα-helixtrans-60.2-40.4-178.1-178.2173.2179.11740112.8M19 Q27 A28M19-K31 HydrophobicContact CG-CD 4.23Å; M19-K31 HydrophobicContact SD-CD 3.73Å; M19-K31 PolarHBondContact SD-NZ 3.49Å; M19-K31 VanDerWaalsContact SD-NZ 3.4Å; Q27-K31 WeakPolarHBondContact O-CB 3.46Å; Q27-K31 PolarHBondContact O-N 3.17Å; A28-K31 PolarHBondContact O-N 3.23Å
32Y96.6Very high96.7Very high68 Ų6865.9 Ų65.927%0.26734%0.339SS..Hα-helixtrans-101.52.3-173.7-68.3-77.6000114.4F12 V16 M19 A28 R30 V34F12-Y32 HydrophobicContact CE2-CD1 4Å; F12-Y32 HydrophobicContact CZ-CD1 4.21Å; F12-Y32 HydrophobicContact CZ-CG 4.48Å; V16-Y32 HydrophobicContact CB-CD2 4.26Å; V16-Y32 HydrophobicContact CG1-CD2 4.23Å; V16-Y32 HydrophobicContact CG2-CD1 4.05Å; V16-Y32 HydrophobicContact CG2-CD2 3.75Å; V16-Y32 HydrophobicContact CG2-CE2 4.23Å; V16-Y32 HydrophobicContact CG2-CG 3.64Å; M19-Y32 HydrophobicContact CB-CE2 3.67Å; M19-Y32 HydrophobicContact CG-CE2 3.85Å; A28-Y32 VanDerWaalsContact O-CD2 3.29Å; A28-Y32 WeakPolarHBondContact O-CD2 3.33Å; A28-Y32 PolarHBondContact O-N 2.98Å; R30-Y32 VanDerWaalsContact C-N 3.33Å; R30-Y32 PolarHBondContact O-N 3.31Å; Y32-V34 VanDerWaalsContact C-N 3.3Å; Y32-V34 PolarHBondContact O-N 3Å
33G95.5Very high96.6Very high55 Ų5563.4 Ų63.457%0.56733%0.326SS*.THydrogen-bonded Turntrans62.335.6-179.300000113.5A29 R30A29-G33 PolarHBondContact O-N 3.14Å; R30-G33 PolarHBondContact O-N 3.06Å
34V95.6Very high96.6Very high14 Ų1466.7 Ų66.79%0.08534%0.341CS..  trans-115.3165.7175.8-59.50000110.2Y8 F12 V16 A29 Y32 M38 V39 W42Y8-V34 HydrophobicContact CE1-CG1 3.99Å; F12-V34 HydrophobicContact CE1-CG1 4.05Å; F12-V34 HydrophobicContact CZ-CG1 4.27Å; V16-V34 HydrophobicContact CG1-CG2 4.18Å; A29-V34 CarbonylContact C-O 3.6Å; A29-V34 WeakPolarHBondContact CA-O 3.19Å; A29-V34 HydrophobicContact CB-CG2 4.46Å; A29-V34 VanDerWaalsContact CB-O 3.27Å; A29-V34 WeakPolarHBondContact CB-O 3.45Å; A29-V34 PolarHBondContact O-N 3.4Å; A29-V34 VanDerWaalsContact O-N 3.08Å; Y32-V34 VanDerWaalsContact C-N 3.3Å; Y32-V34 PolarHBondContact O-N 3Å; V34-M38 HydrophobicContact CB-SD 4.46Å; V34-V39 HydrophobicContact CG2-CG2 3.67Å; V34-W42 HydrophobicContact CG1-CH2 4.06Å; V34-W42 HydrophobicContact CG1-CZ3 4.21Å; V34-W42 HydrophobicContact CG2-CZ3 4.39Å
35T95.3Very high96.3Very high75 Ų7568.1 Ų68.146%0.4635%0.346SS..  trans-81.9148.5176.665.10000111.1K37 M38 V39T35-K37 PolarHBondContact O-N 2.87Å; T35-M38 WeakPolarHBondContact O-CB 3.32Å; T35-M38 PolarHBondContact O-N 3.49Å; T35-M38 VanDerWaalsContact OG1-CG 3.25Å; T35-M38 WeakPolarHBondContact OG1-CG 3.3Å; T35-V39 PolarHBondContact O-N 3.31Å
36P96Very high96Very high66 Ų6666.4 Ų66.443%0.42934%0.339SS..Hα-helixtrans-55.1-34.5175.8-27.335.1000113.5A29 M38 V39 I40A29-P36 HydrophobicContact CB-CB 4.38Å; A29-P36 HydrophobicContact CB-CG 3.86Å; P36-M38 VanDerWaalsContact C-N 3.34Å; P36-M38 PolarHBondContact O-N 3.24Å; P36-V39 WeakPolarHBondContact O-CB 3.36Å; P36-V39 PolarHBondContact O-N 2.95Å; P36-I40 WeakPolarHBondContact O-CG1 3.18Å; P36-I40 PolarHBondContact O-N 3.28Å
37K95.6Very high95.6Very high122 Ų12269.6 Ų69.653%0.5335%0.346SS..Hα-helixtrans-59.1-42.5175.4-177.661.3170.173.30112.3T35 V39 I40 D41T35-K37 PolarHBondContact O-N 2.87Å; K37-V39 VanDerWaalsContact C-N 3.33Å; K37-V39 PolarHBondContact O-N 3.29Å; K37-I40 PolarHBondContact O-N 2.86Å; K37-D41 IonicContact NZ-OD1 2.64Å; K37-D41 PolarHBondContact NZ-OD1 3.43Å; K37-D41 IonicContact NZ-OD2 2.73Å; K37-D41 PolarHBondContact NZ-OD2 2.81Å; K37-D41 VanDerWaalsContact O-CG 3.24Å; K37-D41 PolarHBondContact O-N 3.32Å
38M95.4Very high95.2Very high48 Ų4867.5 Ų67.524%0.23635%0.346CS..Hα-helixtrans-65-38.9177.6-67.6174.37400111.8Y8 V34 T35 P36 I40 D41 W42Y8-M38 HydrophobicContact CD2-CE 3.58Å; Y8-M38 HydrophobicContact CE2-CE 3.21Å; Y8-M38 HydrophobicContact CE2-SD 4.42Å; V34-M38 HydrophobicContact CB-SD 4.46Å; T35-M38 WeakPolarHBondContact O-CB 3.32Å; T35-M38 PolarHBondContact O-N 3.49Å; T35-M38 VanDerWaalsContact OG1-CG 3.25Å; T35-M38 WeakPolarHBondContact OG1-CG 3.3Å; P36-M38 VanDerWaalsContact C-N 3.34Å; P36-M38 PolarHBondContact O-N 3.24Å; M38-I40 VanDerWaalsContact C-N 3.34Å; M38-D41 PolarHBondContact O-N 2.84Å; M38-W42 HydrophobicContact CB-CH2 4.33Å; M38-W42 HydrophobicContact CB-CZ2 4.18Å; M38-W42 HydrophobicContact CE-CH2 3.59Å; M38-W42 HydrophobicContact CE-CZ2 3.25Å; M38-W42 WeakPolarHBondContact O-CB 3.25Å; M38-W42 VanDerWaalsContact O-CD2 3.31Å; M38-W42 PolarHBondContact O-N 3.42Å
39V97.4Very high94.8Very high0 Ų067.7 Ų67.70%035%0.347CS..Hα-helixtrans-61.9-44.8176.4-176.50000110.7V16 A20 N25 A28 A29 V34 T35 P36 K37 W42 K43V16-V39 HydrophobicContact CG1-CB 4.49Å; V16-V39 HydrophobicContact CG1-CG1 4.25Å; V16-V39 HydrophobicContact CG1-CG2 3.78Å; A20-V39 HydrophobicContact CB-CG1 3.41Å; A20-V39 VanDerWaalsContact CB-CG1 3.41Å; N25-V39 HydrophobicContact CB-CG1 4.19Å; A28-V39 HydrophobicContact CB-CG1 4.34Å; A29-V39 HydrophobicContact CB-CG2 4.04Å; V34-V39 HydrophobicContact CG2-CG2 3.67Å; T35-V39 PolarHBondContact O-N 3.31Å; P36-V39 WeakPolarHBondContact O-CB 3.36Å; P36-V39 PolarHBondContact O-N 2.95Å; K37-V39 VanDerWaalsContact C-N 3.33Å; K37-V39 PolarHBondContact O-N 3.29Å; V39-W42 PolarHBondContact O-N 2.9Å; V39-K43 HydrophobicContact CG1-CD 4.31Å; V39-K43 WeakPolarHBondContact O-CG 3.44Å; V39-K43 PolarHBondContact O-N 3.11Å
40I97.3Very high94.5Very high65 Ų6573.2 Ų73.233%0.33337%0.37SS..Hα-helixtrans-60.8-49.5176.4-67.1162.2000110.4N25 P36 K37 M38 W42 K43 N44N25-I40 WeakPolarHBondContact ND2-CG1 3.43Å; P36-I40 WeakPolarHBondContact O-CG1 3.18Å; P36-I40 PolarHBondContact O-N 3.28Å; K37-I40 PolarHBondContact O-N 2.86Å; M38-I40 VanDerWaalsContact C-N 3.34Å; I40-W42 VanDerWaalsContact C-N 3.32Å; I40-W42 PolarHBondContact O-N 3.16Å; I40-K43 WeakPolarHBondContact O-CB 3.48Å; I40-K43 PolarHBondContact O-N 3.21Å; I40-K43 VanDerWaalsContact O-N 3.15Å; I40-N44 PolarHBondContact O-N 3.3Å
41D95.9Very high94Very high53 Ų5371.3 Ų71.328%0.28337%0.367SS..Hα-helixtrans-60.7-41.7-179-68.1-19.1000111.8K37 M38 N44 Q45K37-D41 IonicContact NZ-OD1 2.64Å; K37-D41 PolarHBondContact NZ-OD1 3.43Å; K37-D41 IonicContact NZ-OD2 2.73Å; K37-D41 PolarHBondContact NZ-OD2 2.81Å; K37-D41 VanDerWaalsContact O-CG 3.24Å; K37-D41 PolarHBondContact O-N 3.32Å; M38-D41 PolarHBondContact O-N 2.84Å; D41-N44 PolarHBondContact O-N 3Å; D41-Q45 WeakPolarHBondContact O-CB 3.48Å; D41-Q45 VanDerWaalsContact O-CG 3.25Å; D41-Q45 WeakPolarHBondContact O-CG 3.45Å; D41-Q45 PolarHBondContact O-N 3.24Å
42W96Very high93.5Very high13 Ų1365.8 Ų65.85%0.04934%0.344CS..Hα-helixtrans-70.4-32.4177.3-62.1-18.9000113.1Y8 F12 K13 V16 V17 V34 M38 V39 I40 N44 Q45 G46 L49Y8-W42 HydrophobicContact CD1-CH2 4.32Å; Y8-W42 AromaticContact CD2-CH2 3.71Å; Y8-W42 HydrophobicContact CD2-CH2 3.71Å; Y8-W42 AromaticContact CD2-CZ2 3.67Å; Y8-W42 HydrophobicContact CD2-CZ2 3.67Å; Y8-W42 HydrophobicContact CE2-CH2 4.17Å; Y8-W42 HydrophobicContact CE2-CZ2 4.34Å; Y8-W42 AromaticContact CG-CH2 3.78Å; Y8-W42 HydrophobicContact CG-CH2 3.78Å; Y8-W42 HydrophobicContact CG-CZ2 4.02Å; F12-W42 HydrophobicContact CD1-CH2 4.44Å; F12-W42 HydrophobicContact CD1-CZ3 4.45Å; F12-W42 HydrophobicContact CE1-CH2 4.17Å; F12-W42 HydrophobicContact CE1-CZ3 4.16Å; K13-W42 HydrophobicContact CB-CD2 3.87Å; K13-W42 HydrophobicContact CB-CE3 4.01Å; K13-W42 HydrophobicContact CB-CG 4.12Å; K13-W42 HydrophobicContact CD-CD2 4.06Å; K13-W42 HydrophobicContact CD-CG 4.19Å; K13-W42 HydrophobicContact CD-CZ2 4.11Å; K13-W42 HydrophobicContact CG-CD2 3.67Å; K13-W42 HydrophobicContact CG-CE3 3.98Å; K13-W42 HydrophobicContact CG-CG 4.18Å; K13-W42 HydrophobicContact CG-CH2 4.05Å; K13-W42 HydrophobicContact CG-CZ2 3.75Å; K13-W42 HydrophobicContact CG-CZ3 4.17Å; V16-W42 HydrophobicContact CB-CE3 4.14Å; V16-W42 HydrophobicContact CB-CZ3 4.12Å; V16-W42 HydrophobicContact CG1-CE3 4.12Å; V16-W42 HydrophobicContact CG1-CZ3 4.1Å; V16-W42 HydrophobicContact CG2-CZ3 4.06Å; V17-W42 HydrophobicContact CG2-CB 3.63Å; V34-W42 HydrophobicContact CG1-CH2 4.06Å; V34-W42 HydrophobicContact CG1-CZ3 4.21Å; V34-W42 HydrophobicContact CG2-CZ3 4.39Å; M38-W42 HydrophobicContact CB-CH2 4.33Å; M38-W42 HydrophobicContact CB-CZ2 4.18Å; M38-W42 HydrophobicContact CE-CH2 3.59Å; M38-W42 HydrophobicContact CE-CZ2 3.25Å; M38-W42 WeakPolarHBondContact O-CB 3.25Å; M38-W42 VanDerWaalsContact O-CD2 3.31Å; M38-W42 PolarHBondContact O-N 3.42Å; V39-W42 PolarHBondContact O-N 2.9Å; I40-W42 VanDerWaalsContact C-N 3.32Å; I40-W42 PolarHBondContact O-N 3.16Å; W42-N44 VanDerWaalsContact C-N 3.34Å; W42-Q45 CarbonylContact O-C 3.49Å; W42-Q45 PolarHBondContact O-N 3.44Å; W42-G46 PolarHBondContact O-N 3.32Å; W42-G46 VanDerWaalsContact O-N 3.13Å; W42-L49 HydrophobicContact CB-CD1 3.91Å; W42-L49 HydrophobicContact CG-CD1 4.35Å
43K96.3Very high93Very high71 Ų7166.7 Ų66.731%0.30936%0.358SS..Hα-helixtrans-61.2-46.2171.3-80.1174.371.4161.60110.4V17 A20 N25 V39 I40 Q45 G46V17-K43 HydrophobicContact CB-CG 4.49Å; V17-K43 HydrophobicContact CG1-CG 4.08Å; V17-K43 HydrophobicContact CG2-CG 4.11Å; A20-K43 HydrophobicContact CB-CD 3.96Å; A20-K43 PolarHBondContact O-NZ 2.92Å; N25-K43 VanDerWaalsContact OD1-CD 3.25Å; N25-K43 WeakPolarHBondContact OD1-CD 3.34Å; N25-K43 PolarHBondContact OD1-NZ 3.47Å; V39-K43 HydrophobicContact CG1-CD 4.31Å; V39-K43 WeakPolarHBondContact O-CG 3.44Å; V39-K43 PolarHBondContact O-N 3.11Å; I40-K43 WeakPolarHBondContact O-CB 3.48Å; I40-K43 PolarHBondContact O-N 3.21Å; I40-K43 VanDerWaalsContact O-N 3.15Å; K43-Q45 VanDerWaalsContact C-N 3.26Å; K43-Q45 PolarHBondContact O-N 3.46Å; K43-G46 PolarHBondContact O-N 2.87Å; K43-G46 VanDerWaalsContact O-N 3.14Å
44N95.6Very high92.8Very high130 Ų13071.7 Ų71.770%0.69536%0.364SS*.Hα-helixtrans-64.7-31.9177.4-64.4-11.6000112I40 D41 W42 G46I40-N44 PolarHBondContact O-N 3.3Å; D41-N44 PolarHBondContact O-N 3Å; W42-N44 VanDerWaalsContact C-N 3.34Å; N44-G46 VanDerWaalsContact C-N 3.31Å; N44-G46 PolarHBondContact O-N 3.2Å
45Q91.2Very high92.5Very high96 Ų9679.5 Ų79.545%0.44940%0.397SS..THydrogen-bonded Turntrans-86.79.9176.3-67.3172.8-1200114.1D41 W42 K43 E47 A48 L49D41-Q45 WeakPolarHBondContact O-CB 3.48Å; D41-Q45 VanDerWaalsContact O-CG 3.25Å; D41-Q45 WeakPolarHBondContact O-CG 3.45Å; D41-Q45 PolarHBondContact O-N 3.24Å; W42-Q45 CarbonylContact O-C 3.49Å; W42-Q45 PolarHBondContact O-N 3.44Å; K43-Q45 VanDerWaalsContact C-N 3.26Å; K43-Q45 PolarHBondContact O-N 3.46Å; Q45-E47 VanDerWaalsContact C-N 3.35Å; Q45-E47 PolarHBondContact O-N 2.92Å; Q45-A48 PolarHBondContact O-N 2.8Å; Q45-L49 HydrophobicContact CB-CD1 4.3Å; Q45-L49 HydrophobicContact CB-CG 4.31Å; Q45-L49 PolarHBondContact O-N 3.15Å
46G89.8Confident92Very high9 Ų979.9 Ų79.99%0.09339%0.392CS..Hα-helixtrans-52.1-45.7-167.700000114.6W42 K43 N44 L49 K50W42-G46 PolarHBondContact O-N 3.32Å; W42-G46 VanDerWaalsContact O-N 3.13Å; K43-G46 PolarHBondContact O-N 2.87Å; K43-G46 VanDerWaalsContact O-N 3.14Å; N44-G46 VanDerWaalsContact C-N 3.31Å; N44-G46 PolarHBondContact O-N 3.2Å; G46-L49 PolarHBondContact O-N 3.31Å; G46-K50 WeakPolarHBondContact O-CG 3.38Å; G46-K50 PolarHBondContact O-N 3.21Å
47E90.9Very high91.7Very high114 Ų11482.8 Ų82.853%0.53340%0.395SS..Hα-helixtrans-68.2-40.5179.3-66.3-51.3123.400112.7Q45 L49 K50 K51Q45-E47 VanDerWaalsContact C-N 3.35Å; Q45-E47 PolarHBondContact O-N 2.92Å; E47-L49 VanDerWaalsContact C-N 3.29Å; E47-L49 PolarHBondContact O-N 3.41Å; E47-K50 PolarHBondContact O-N 3.14Å; E47-K50 IonicContact OE1-NZ 3.82Å; E47-K50 PolarHBondContact OE1-NZ 3.08Å; E47-K50 IonicContact OE2-NZ 3.16Å; E47-K51 WeakPolarHBondContact O-CG 3.35Å; E47-K51 PolarHBondContact O-N 2.93Å
48A87.7Confident90.9Very high57 Ų5778.8 Ų78.847%0.47138%0.384SS..Hα-helixtrans-64.6-35.317500000111.8Q45 M52Q45-A48 PolarHBondContact O-N 2.8Å; A48-M52 PolarHBondContact O-N 3.08Å
49L90.6Very high89.8Confident4 Ų480 Ų802%0.02140%0.398CS..Hα-helixtrans-69.2-38.2176.2-73.3171.6000112.5A10 K13 L14 W42 Q45 G46 E47 K51 M52A10-L49 HydrophobicContact CB-CD2 4.33Å; K13-L49 HydrophobicContact CB-CD1 3.91Å; K13-L49 HydrophobicContact CB-CD2 4.13Å; K13-L49 HydrophobicContact CD-CD1 4.45Å; K13-L49 HydrophobicContact CD-CD2 3.65Å; L14-L49 HydrophobicContact CD2-CB 3.81Å; L14-L49 HydrophobicContact CG-CB 4.13Å; W42-L49 HydrophobicContact CB-CD1 3.91Å; W42-L49 HydrophobicContact CG-CD1 4.35Å; Q45-L49 HydrophobicContact CB-CD1 4.3Å; Q45-L49 HydrophobicContact CB-CG 4.31Å; Q45-L49 PolarHBondContact O-N 3.15Å; G46-L49 PolarHBondContact O-N 3.31Å; E47-L49 VanDerWaalsContact C-N 3.29Å; E47-L49 PolarHBondContact O-N 3.41Å; L49-K51 VanDerWaalsContact C-N 3.33Å; L49-M52 HydrophobicContact CD2-CE 4.32Å; L49-M52 WeakPolarHBondContact O-CB 3.45Å; L49-M52 PolarHBondContact O-N 2.74Å
50K91Very high88.4Confident121 Ų12189.3 Ų89.353%0.52643%0.433SS..Hα-helixtrans-63.7-37.8175.9-73.1172.9-177.3172.20112.5L14 G46 E47 M52L14-K50 HydrophobicContact CD2-CG 4.02Å; G46-K50 WeakPolarHBondContact O-CG 3.38Å; G46-K50 PolarHBondContact O-N 3.21Å; E47-K50 PolarHBondContact O-N 3.14Å; E47-K50 IonicContact OE1-NZ 3.82Å; E47-K50 PolarHBondContact OE1-NZ 3.08Å; E47-K50 IonicContact OE2-NZ 3.16Å; K50-M52 VanDerWaalsContact C-N 3.25Å; K50-M52 PolarHBondContact O-N 2.8Å
51K87.8Confident86.6Confident180 Ų18088.6 Ų88.678%0.78343%0.434SS*.Hα-helixtrans-73.6-15.6176.7-65.8178.3-176.8-176.10113E47 L49E47-K51 WeakPolarHBondContact O-CG 3.35Å; E47-K51 PolarHBondContact O-N 2.93Å; L49-K51 VanDerWaalsContact C-N 3.33Å
52M85.3Confident84.8Confident20 Ų2087.9 Ų87.910%0.09944%0.438CS..SBendtrans-85.6139.8-176.9-164.5-178.3-47.300111.7A10 A48 L49 K50 K54 K56 S59A10-M52 HydrophobicContact CB-CB 4.11Å; A10-M52 HydrophobicContact CB-CG 4.14Å; A10-M52 HydrophobicContact CB-SD 3.88Å; A48-M52 PolarHBondContact O-N 3.08Å; L49-M52 HydrophobicContact CD2-CE 4.32Å; L49-M52 WeakPolarHBondContact O-CB 3.45Å; L49-M52 PolarHBondContact O-N 2.74Å; K50-M52 VanDerWaalsContact C-N 3.25Å; K50-M52 PolarHBondContact O-N 2.8Å; M52-K54 PolarHBondContact O-N 3.28Å; M52-K56 HydrophobicContact CG-CB 3.83Å; M52-K56 HydrophobicContact CG-CD 3.91Å; M52-K56 HydrophobicContact CG-CG 4.08Å; M52-K56 HydrophobicContact SD-CB 3.82Å; M52-K56 HydrophobicContact SD-CD 4.12Å; M52-K56 HydrophobicContact SD-CG 3.8Å; M52-S59 WeakPolarHBondContact CE-OG 3.46Å
53P87.7Confident83.1Confident87 Ų8794.9 Ų94.957%0.56548%0.475SS*.  trans-55.7131.9170.6-25.734000111.5K55 K56P53-K55 PolarHBondContact O-N 2.93Å; P53-K56 HydrophobicContact CB-CB 4.37Å; P53-K56 WeakPolarHBondContact O-CB 3.3Å; P53-K56 PolarHBondContact O-N 3.12Å
54K89.9Confident81.5Confident160 Ų16093 Ų9370%0.69647%0.473SS*.THydrogen-bonded Turntrans-53.2-31.5-173.1-66.8-176-179.8179.50114.1A10 G11 M52A10-K54 PolarHBondContact N-O 3.19Å; G11-K54 PolarHBondContact N-O 3.17Å; M52-K54 PolarHBondContact O-N 3.28Å
55K89.7Confident80.2Confident178 Ų17890 Ų9077%0.77446%0.462SS*.THydrogen-bonded Turntrans-79.6-19.1-179.9-64.2-179-178.6176.80113.6P53P53-K55 PolarHBondContact O-N 2.93Å
56K86.3Confident79.4Confident83 Ų8389.9 Ų89.936%0.36146%0.457SS..  trans-73.8142.9-178.4-168.4168.6-179171.90109.9K9 A10 M52 P53 A58K9-K56 CarbonylContact C-O 3.46Å; A10-K56 WeakPolarHBondContact CB-O 3.27Å; A10-K56 PolarHBondContact N-O 3.4Å; M52-K56 HydrophobicContact CG-CB 3.83Å; M52-K56 HydrophobicContact CG-CD 3.91Å; M52-K56 HydrophobicContact CG-CG 4.08Å; M52-K56 HydrophobicContact SD-CB 3.82Å; M52-K56 HydrophobicContact SD-CD 4.12Å; M52-K56 HydrophobicContact SD-CG 3.8Å; P53-K56 HydrophobicContact CB-CB 4.37Å; P53-K56 WeakPolarHBondContact O-CB 3.3Å; P53-K56 PolarHBondContact O-N 3.12Å; K56-A58 WeakPolarHBondContact CE-O 3.18Å
57R89.1Confident78.6Confident128 Ų12892.8 Ų92.848%0.48348%0.475SS..  trans-100.9-26.7-175.4-59.6-169.8-175-162.12114.1S7 Y8 K9 K13S7-R57 PolarHBondContact O-NH1 2.98Å; S7-R57 VanDerWaalsContact OG-CD 3.3Å; S7-R57 WeakPolarHBondContact OG-CD 3.29Å; S7-R57 PolarHBondContact OG-NH1 3.3Å; Y8-R57 VanDerWaalsContact O-CA 3.29Å; Y8-R57 WeakPolarHBondContact O-CA 3.4Å; K9-R57 HydrophobicContact CG-CG 4.37Å; K13-R57 PolarHBondContact NZ-O 3.48Å
58A78.8Confident78.1Confident37 Ų3795.6 Ų95.631%0.30649%0.487SS..  trans-151.9144.7-178.600000111.2K56 R60K56-A58 WeakPolarHBondContact CE-O 3.18Å; A58-R60 HydrophobicContact CB-CG 3.83Å; A58-R60 PolarHBondContact O-N 3.25Å; A58-R60 VanDerWaalsContact O-N 3.08Å
59S71.9Confident77.8Confident75 Ų7594.3 Ų94.352%0.52447%0.472SS..  trans-8074.9164.2-66.10000109.1M52 S61M52-S59 WeakPolarHBondContact CE-OG 3.46Å; S59-S61 VanDerWaalsContact C-N 3.33Å
60R68.2Low77.2Confident195 Ų19594.8 Ų94.874%0.73648%0.475SS*.  trans-83.1-13174.8-68.4-174-178.5-177-0.2113.4A58 G62A58-R60 HydrophobicContact CB-CG 3.83Å; A58-R60 PolarHBondContact O-N 3.25Å; A58-R60 VanDerWaalsContact O-N 3.08Å; R60-G62 PolarHBondContact O-N 3.01Å
61S58.9Low76.7Confident50 Ų5094.4 Ų94.435%0.3548%0.479SS..  trans-66.7101.6166.344.80000106.7S59S59-S61 VanDerWaalsContact C-N 3.33Å
62G57.8Low76.5Confident37 Ų3787.8 Ų87.838%0.38146%0.461SS..  trans-59.5175.4166.400000111R60 Q115R60-G62 PolarHBondContact O-N 3.01Å; G62-Q115 VanDerWaalsContact N-OE1 3.14Å; G62-Q115 PolarHBondContact O-NE2 2.95Å
63I60.3Low76.4Confident161 Ų16187.1 Ų87.183%0.82646%0.458SS*.  trans-73.5132.1165.7-63.6166.6000106.5S65I63-S65 PolarHBondContact O-N 3.01Å
64A63.3Low76Confident31 Ų3185.4 Ų85.426%0.25645%0.451SS..  trans-54.5121.6173.100000108.2P67 E70A64-P67 HydrophobicContact CB-CB 4.49Å; A64-P67 HydrophobicContact CB-CG 4.37Å; A64-E70 VanDerWaalsContact CA-OE2 3.25Å; A64-E70 WeakPolarHBondContact CA-OE2 3.27Å; A64-E70 HydrophobicContact CB-CG 4.49Å; A64-E70 WeakPolarHBondContact CB-OE2 3.22Å
65S69.2Low75.8Confident66 Ų6682.4 Ų82.446%0.46244%0.44SS..SBendtrans-74.7-25.4179.6-64.60000110.7I63 E70 L116I63-S65 PolarHBondContact O-N 3.01Å; S65-E70 PolarHBondContact N-OE1 3.4Å; S65-E70 VanDerWaalsContact N-OE1 3.12Å; S65-L116 WeakPolarHBondContact CB-O 3.25Å
66W73.9Confident75.7Confident95 Ų9576.1 Ų76.136%0.3641%0.411SS..SBendtrans-134.977.9179.7-54.495.7000109.3E68 L69 E70 L116W66-E68 VanDerWaalsContact C-N 3.27Å; W66-E68 PolarHBondContact O-N 3.2Å; W66-L69 HydrophobicContact CB-CB 3.79Å; W66-L69 HydrophobicContact CB-CD2 4.34Å; W66-L69 PolarHBondContact O-N 3.32Å; W66-L69 VanDerWaalsContact O-N 3.15Å; W66-E70 WeakPolarHBondContact O-CB 3.35Å; W66-E70 WeakPolarHBondContact O-CG 3.38Å; W66-E70 PolarHBondContact O-N 3.03Å; W66-L116 HydrophobicContact CB-CD1 4.34Å
67P73.4Confident75.6Confident70 Ų7072.9 Ų72.946%0.45540%0.397SS..Hα-helixtrans-54.6-43.4-170.6-23.331.5000113A64 N71A64-P67 HydrophobicContact CB-CB 4.49Å; A64-P67 HydrophobicContact CB-CG 4.37Å; P67-N71 WeakPolarHBondContact O-CB 3.24Å; P67-N71 PolarHBondContact O-N 3.31Å; P67-N71 PolarHBondContact O-ND2 3.07Å
68E80.7Confident75.3Confident172 Ų17273 Ų7380%0.80440%0.398SS*.Hα-helixtrans-64.8-47.6179.3-67.8147.2-167.800111.7W66 N71 G72W66-E68 VanDerWaalsContact C-N 3.27Å; W66-E68 PolarHBondContact O-N 3.2Å; E68-N71 PolarHBondContact O-N 3.43Å; E68-G72 PolarHBondContact O-N 3.13Å
69L80.5Confident75.8Confident30 Ų3075.7 Ų75.716%0.15740%0.404CS..Hα-helixtrans-68.7-42.2-179.8-179.359.9000112W66 N71 G72 L73 V96 L99 K100 L116W66-L69 HydrophobicContact CB-CB 3.79Å; W66-L69 HydrophobicContact CB-CD2 4.34Å; W66-L69 PolarHBondContact O-N 3.32Å; W66-L69 VanDerWaalsContact O-N 3.15Å; L69-N71 VanDerWaalsContact C-N 3.33Å; L69-G72 PolarHBondContact O-N 2.86Å; L69-L73 WeakPolarHBondContact O-CB 2.95Å; L69-L73 PolarHBondContact O-N 3.31Å; L69-V96 HydrophobicContact CD2-CG1 4.22Å; L69-L99 HydrophobicContact CD1-CB 4.47Å; L69-L99 HydrophobicContact CD1-CD1 3.5Å; L69-L99 VanDerWaalsContact CD1-CD1 3.5Å; L69-K100 HydrophobicContact CD2-CG 3.85Å; L69-L116 HydrophobicContact CB-CD1 4.24Å; L69-L116 HydrophobicContact CD2-CD1 3.41Å; L69-L116 VanDerWaalsContact CD2-CD1 3.41Å; L69-L116 HydrophobicContact CG-CD1 3.59Å
70E78.6Confident76.7Confident15 Ų1574 Ų747%0.0739%0.388CS..Hα-helixtrans-64.7-38.3176.1-68-174.7-160.700111A64 S65 W66 A74 V114 L116A64-E70 VanDerWaalsContact CA-OE2 3.25Å; A64-E70 WeakPolarHBondContact CA-OE2 3.27Å; A64-E70 HydrophobicContact CB-CG 4.49Å; A64-E70 WeakPolarHBondContact CB-OE2 3.22Å; S65-E70 PolarHBondContact N-OE1 3.4Å; S65-E70 VanDerWaalsContact N-OE1 3.12Å; W66-E70 WeakPolarHBondContact O-CB 3.35Å; W66-E70 WeakPolarHBondContact O-CG 3.38Å; W66-E70 PolarHBondContact O-N 3.03Å; E70-A74 WeakPolarHBondContact O-CB 3.48Å; E70-A74 PolarHBondContact O-N 3.42Å; E70-V114 VanDerWaalsContact CG-O 3.22Å; E70-V114 WeakPolarHBondContact CG-O 3.47Å; E70-V114 VanDerWaalsContact OE2-O 3.1Å; E70-L116 HydrophobicContact CG-CD1 3.86Å; E70-L116 HydrophobicContact CG-CG 4.22Å; E70-L116 PolarHBondContact OE1-N 3.03Å
71N79.7Confident77.5Confident113 Ų11368.9 Ų68.960%0.60437%0.369SS*.Hα-helixtrans-68.2-47.4175-76.5-13.9000112.2P67 E68 L69 L73 A74 E75P67-N71 WeakPolarHBondContact O-CB 3.24Å; P67-N71 PolarHBondContact O-N 3.31Å; P67-N71 PolarHBondContact O-ND2 3.07Å; E68-N71 PolarHBondContact O-N 3.43Å; L69-N71 VanDerWaalsContact C-N 3.33Å; N71-L73 VanDerWaalsContact C-N 3.3Å; N71-L73 PolarHBondContact O-N 2.97Å; N71-A74 PolarHBondContact O-N 3.28Å; N71-A74 VanDerWaalsContact O-N 3.14Å; N71-E75 PolarHBondContact O-N 3.02Å
72G84.3Confident78.9Confident40 Ų4073.2 Ų73.241%0.41238%0.384SS..Hα-helixtrans-60.1-41.9178.700000112E68 L69 A74 E75 W76E68-G72 PolarHBondContact O-N 3.13Å; L69-G72 PolarHBondContact O-N 2.86Å; G72-A74 PolarHBondContact O-N 2.93Å; G72-E75 PolarHBondContact O-N 3.18Å; G72-W76 WeakPolarHBondContact O-CB 3.47Å; G72-W76 PolarHBondContact O-N 3.38Å
73L82.7Confident80.6Confident6 Ų677.3 Ų77.33%0.03140%0.397CS..Hα-helixtrans-68.1-34.4176.1-170.867.9000112.8L69 N71 W76 D77 E95 V96 V114L69-L73 WeakPolarHBondContact O-CB 2.95Å; L69-L73 PolarHBondContact O-N 3.31Å; N71-L73 VanDerWaalsContact C-N 3.3Å; N71-L73 PolarHBondContact O-N 2.97Å; L73-W76 HydrophobicContact CD1-CE3 3.88Å; L73-W76 HydrophobicContact CD1-CZ3 4.28Å; L73-D77 WeakPolarHBondContact O-CB 3.47Å; L73-D77 PolarHBondContact O-N 3.39Å; L73-E95 HydrophobicContact CD1-CB 3.86Å; L73-E95 HydrophobicContact CD1-CG 3.67Å; L73-V96 HydrophobicContact CD1-CG2 3.82Å; L73-V96 HydrophobicContact CD2-CG2 3.43Å; L73-V96 VanDerWaalsContact CD2-CG2 3.43Å; L73-V96 HydrophobicContact CG-CG2 4.18Å; L73-V114 HydrophobicContact CD2-CB 3.9Å; L73-V114 HydrophobicContact CD2-CG1 3.44Å; L73-V114 VanDerWaalsContact CD2-CG1 3.44Å; L73-V114 HydrophobicContact CD2-CG2 3.79Å; L73-V114 HydrophobicContact CG-CG2 4.37Å
74A79Confident82Confident51 Ų5172.7 Ų72.742%0.42139%0.389SS..Hα-helixtrans-68.6-36.9175.100000112.1E70 N71 G72 R78E70-A74 WeakPolarHBondContact O-CB 3.48Å; E70-A74 PolarHBondContact O-N 3.42Å; N71-A74 PolarHBondContact O-N 3.28Å; N71-A74 VanDerWaalsContact O-N 3.14Å; G72-A74 PolarHBondContact O-N 2.93Å; A74-R78 WeakPolarHBondContact O-CB 3.29Å; A74-R78 PolarHBondContact O-N 3Å
75E85.2Confident83.2Confident98 Ų9879.3 Ų79.346%0.45841%0.407SS..Hα-helixtrans-67.4-46.2174.6-169.7135.4-127.800111N71 G72 D77 R78 E79N71-E75 PolarHBondContact O-N 3.02Å; G72-E75 PolarHBondContact O-N 3.18Å; E75-D77 PolarHBondContact O-N 3.49Å; E75-R78 WeakPolarHBondContact O-CB 3.39Å; E75-R78 PolarHBondContact O-N 3Å; E75-R78 VanDerWaalsContact O-N 3.16Å; E75-R78 IonicContact OE1-CZ 2.89Å; E75-R78 IonicContact OE1-NH1 2.78Å; E75-R78 IonicContact OE1-NH2 3.64Å; E75-R78 PolarHBondContact OE1-NH2 3.08Å; E75-E79 WeakPolarHBondContact O-CG 2.95Å; E75-E79 PolarHBondContact O-N 3.21Å
76W87.8Confident83.9Confident46 Ų4683.7 Ų83.717%0.17442%0.424CS..Hα-helixtrans-56.2-49.2172.7174.889.5000112.1G72 L73 R78 E79 Q80 I87 D91 M92 E95G72-W76 WeakPolarHBondContact O-CB 3.47Å; G72-W76 PolarHBondContact O-N 3.38Å; L73-W76 HydrophobicContact CD1-CE3 3.88Å; L73-W76 HydrophobicContact CD1-CZ3 4.28Å; W76-R78 VanDerWaalsContact C-N 3.29Å; W76-R78 PolarHBondContact O-N 3.43Å; W76-E79 PolarHBondContact O-N 2.72Å; W76-Q80 HydrophobicContact CD2-CG 4.01Å; W76-Q80 HydrophobicContact CE3-CG 4.45Å; W76-Q80 HydrophobicContact CG-CG 4.46Å; W76-Q80 HydrophobicContact CH2-CG 4.45Å; W76-Q80 HydrophobicContact CZ2-CG 4.01Å; W76-Q80 VanDerWaalsContact O-CG 3.3Å; W76-Q80 WeakPolarHBondContact O-CG 3.32Å; W76-Q80 PolarHBondContact O-N 3.32Å; W76-I87 HydrophobicContact CH2-CD1 4.1Å; W76-I87 HydrophobicContact CH2-CG2 4.27Å; W76-I87 HydrophobicContact CZ3-CD1 4.47Å; W76-I87 HydrophobicContact CZ3-CG2 3.88Å; W76-D91 HydrophobicContact CH2-CB 4.07Å; W76-M92 HydrophobicContact CZ3-CG 4Å; W76-E95 HydrophobicContact CD2-CG 3.89Å; W76-E95 HydrophobicContact CE3-CB 4.48Å; W76-E95 HydrophobicContact CE3-CG 4.2Å; W76-E95 HydrophobicContact CG-CG 4.27Å; W76-E95 HydrophobicContact CH2-CB 4.08Å; W76-E95 HydrophobicContact CH2-CG 4.46Å; W76-E95 HydrophobicContact CZ2-CB 4.11Å; W76-E95 HydrophobicContact CZ2-CG 4.17Å; W76-E95 HydrophobicContact CZ3-CB 4.28Å; W76-E95 HydrophobicContact CZ3-CG 4.47Å; W76-E95 PolarHBondContact NE1-OE2 3.02Å
77D83.6Confident84.4Confident14 Ų1480.3 Ų80.38%0.07541%0.413CS..Hα-helixtrans-59.1-40.9177.2-179.947.1000111.8L73 E75 Q80 R81 I87 M92L73-D77 WeakPolarHBondContact O-CB 3.47Å; L73-D77 PolarHBondContact O-N 3.39Å; E75-D77 PolarHBondContact O-N 3.49Å; D77-Q80 PolarHBondContact O-N 3.08Å; D77-R81 VanDerWaalsContact CG-NE 3.3Å; D77-R81 WeakPolarHBondContact O-CB 3.34Å; D77-R81 VanDerWaalsContact O-CG 3.27Å; D77-R81 WeakPolarHBondContact O-CG 3.23Å; D77-R81 PolarHBondContact O-N 3.31Å; D77-R81 IonicContact OD1-CZ 3.21Å; D77-R81 IonicContact OD1-NE 3.07Å; D77-R81 PolarHBondContact OD1-NE 2.95Å; D77-R81 IonicContact OD1-NH2 2.77Å; D77-R81 IonicContact OD2-CZ 2.68Å; D77-R81 IonicContact OD2-NE 3.49Å; D77-R81 PolarHBondContact OD2-NE 2.91Å; D77-R81 IonicContact OD2-NH2 3.9Å; D77-R81 PolarHBondContact OD2-NH2 3.18Å; D77-I87 VanDerWaalsContact OD1-CB 3.25Å; D77-I87 WeakPolarHBondContact OD1-CB 3.39Å; D77-I87 WeakPolarHBondContact OD1-CG1 3.46Å; D77-I87 WeakPolarHBondContact OD1-CG2 3.27Å; D77-M92 HydrophobicContact CB-CE 3.82Å; D77-M92 WeakPolarHBondContact OD1-CE 3.03Å; D77-M92 WeakPolarHBondContact OD2-CE 3.4Å
78R83.5Confident84.8Confident130 Ų13080.1 Ų80.149%0.49141%0.41SS..Hα-helixtrans-60.6-46.7176.4-171.4-175.574.2-159.5-7.7111.2A74 E75 W76 R81 Q82A74-R78 WeakPolarHBondContact O-CB 3.29Å; A74-R78 PolarHBondContact O-N 3Å; E75-R78 WeakPolarHBondContact O-CB 3.39Å; E75-R78 PolarHBondContact O-N 3Å; E75-R78 VanDerWaalsContact O-N 3.16Å; E75-R78 IonicContact OE1-CZ 2.89Å; E75-R78 IonicContact OE1-NH1 2.78Å; E75-R78 IonicContact OE1-NH2 3.64Å; E75-R78 PolarHBondContact OE1-NH2 3.08Å; W76-R78 VanDerWaalsContact C-N 3.29Å; W76-R78 PolarHBondContact O-N 3.43Å; R78-R81 PolarHBondContact O-N 2.81Å; R78-Q82 WeakPolarHBondContact O-CB 3.27Å; R78-Q82 VanDerWaalsContact O-CG 3.3Å; R78-Q82 WeakPolarHBondContact O-CG 3.44Å; R78-Q82 PolarHBondContact O-N 3.05Å
79E89.7Confident84.6Confident94 Ų9477.7 Ų77.744%0.43939%0.394SS..Hα-helixtrans-62.4-46.5178.2-71.6177.2178.500111.6E75 W76 R81 Q82 N83E75-E79 WeakPolarHBondContact O-CG 2.95Å; E75-E79 PolarHBondContact O-N 3.21Å; W76-E79 PolarHBondContact O-N 2.72Å; E79-R81 VanDerWaalsContact C-N 3.3Å; E79-R81 PolarHBondContact O-N 3.19Å; E79-Q82 PolarHBondContact O-N 3.1Å; E79-N83 VanDerWaalsContact O-CG 3.29Å; E79-N83 PolarHBondContact O-N 3.28Å; E79-N83 PolarHBondContact O-ND2 3.14Å; E79-N83 VanDerWaalsContact O-ND2 3.1Å
80Q90.7Very high84.6Confident40 Ų4080.3 Ų80.319%0.18741%0.411CS..Hα-helixtrans-59.8-42.3178.6-64.5-54.4-44.600111.8W76 D77 N83 G84 R85 I87W76-Q80 HydrophobicContact CD2-CG 4.01Å; W76-Q80 HydrophobicContact CE3-CG 4.45Å; W76-Q80 HydrophobicContact CG-CG 4.46Å; W76-Q80 HydrophobicContact CH2-CG 4.45Å; W76-Q80 HydrophobicContact CZ2-CG 4.01Å; W76-Q80 VanDerWaalsContact O-CG 3.3Å; W76-Q80 WeakPolarHBondContact O-CG 3.32Å; W76-Q80 PolarHBondContact O-N 3.32Å; D77-Q80 PolarHBondContact O-N 3.08Å; Q80-N83 CarbonylContact O-C 3.48Å; Q80-N83 WeakPolarHBondContact O-CB 3.35Å; Q80-N83 PolarHBondContact O-N 3.06Å; Q80-G84 PolarHBondContact O-N 2.97Å; Q80-R85 HydrophobicContact CB-CB 4.41Å; Q80-R85 WeakPolarHBondContact O-CB 3.47Å; Q80-R85 PolarHBondContact O-N 3.38Å; Q80-I87 HydrophobicContact CB-CD1 3.52Å; Q80-I87 HydrophobicContact CB-CG1 3.48Å; Q80-I87 VanDerWaalsContact CB-CG1 3.48Å; Q80-I87 HydrophobicContact CG-CD1 3.8Å; Q80-I87 HydrophobicContact CG-CG1 4.11Å
81R85.6Confident84.9Confident87 Ų8782.5 Ų82.533%0.32842%0.423SS..Hα-helixtrans-70.4-36.9178.1-69.6177.9-169.8-154.820.6113.3D77 R78 E79 N83 G84 D111D77-R81 VanDerWaalsContact CG-NE 3.3Å; D77-R81 WeakPolarHBondContact O-CB 3.34Å; D77-R81 VanDerWaalsContact O-CG 3.27Å; D77-R81 WeakPolarHBondContact O-CG 3.23Å; D77-R81 PolarHBondContact O-N 3.31Å; D77-R81 IonicContact OD1-CZ 3.21Å; D77-R81 IonicContact OD1-NE 3.07Å; D77-R81 PolarHBondContact OD1-NE 2.95Å; D77-R81 IonicContact OD1-NH2 2.77Å; D77-R81 IonicContact OD2-CZ 2.68Å; D77-R81 IonicContact OD2-NE 3.49Å; D77-R81 PolarHBondContact OD2-NE 2.91Å; D77-R81 IonicContact OD2-NH2 3.9Å; D77-R81 PolarHBondContact OD2-NH2 3.18Å; R78-R81 PolarHBondContact O-N 2.81Å; E79-R81 VanDerWaalsContact C-N 3.3Å; E79-R81 PolarHBondContact O-N 3.19Å; R81-N83 PolarHBondContact O-N 3.48Å; R81-G84 WeakPolarHBondContact O-CA 3.34Å; R81-G84 PolarHBondContact O-N 3.32Å; R81-D111 IonicContact CZ-OD1 3.65Å; R81-D111 IonicContact NH1-OD1 3.72Å; R81-D111 PolarHBondContact NH1-OD1 3.27Å; R81-D111 IonicContact NH1-OD2 2.72Å; R81-D111 PolarHBondContact NH2-O 3.04Å; R81-D111 IonicContact NH2-OD1 3.53Å; R81-D111 PolarHBondContact NH2-OD1 3.44Å
82Q88.2Confident85Confident142 Ų14277.8 Ų77.866%0.66440%0.398SS*.Hα-helixtrans-61.5-33.9172-78176-22.600111.3R78 E79 G84R78-Q82 WeakPolarHBondContact O-CB 3.27Å; R78-Q82 VanDerWaalsContact O-CG 3.3Å; R78-Q82 WeakPolarHBondContact O-CG 3.44Å; R78-Q82 PolarHBondContact O-N 3.05Å; E79-Q82 PolarHBondContact O-N 3.1Å; Q82-G84 PolarHBondContact O-N 3.13Å
83N93.1Very high84.7Confident123 Ų12379.6 Ų79.666%0.65839%0.394SS*.THydrogen-bonded Turntrans-78.19.3172.2-65.1-33.2000113.7E79 Q80 R81 R85E79-N83 VanDerWaalsContact O-CG 3.29Å; E79-N83 PolarHBondContact O-N 3.28Å; E79-N83 PolarHBondContact O-ND2 3.14Å; E79-N83 VanDerWaalsContact O-ND2 3.1Å; Q80-N83 CarbonylContact O-C 3.48Å; Q80-N83 WeakPolarHBondContact O-CB 3.35Å; Q80-N83 PolarHBondContact O-N 3.06Å; R81-N83 PolarHBondContact O-N 3.48Å; N83-R85 VanDerWaalsContact C-N 3.28Å; N83-R85 PolarHBondContact O-N 2.92Å
84G89.3Confident84.8Confident64 Ų6482.7 Ų82.766%0.6641%0.411SS*.THydrogen-bonded Turntrans76.47.5176.800000115Q80 R81 Q82Q80-G84 PolarHBondContact O-N 2.97Å; R81-G84 WeakPolarHBondContact O-CA 3.34Å; R81-G84 PolarHBondContact O-N 3.32Å; Q82-G84 PolarHBondContact O-N 3.13Å
85R88.4Confident85.1Confident170 Ų17084.4 Ų84.464%0.64241%0.41SS*.  trans-80.1134.4174.6-70.9-172.1178.3-122.32.5110.7Q80 N83 I87Q80-R85 HydrophobicContact CB-CB 4.41Å; Q80-R85 WeakPolarHBondContact O-CB 3.47Å; Q80-R85 PolarHBondContact O-N 3.38Å; N83-R85 VanDerWaalsContact C-N 3.28Å; N83-R85 PolarHBondContact O-N 2.92Å; R85-I87 HydrophobicContact CB-CD1 4.38Å; R85-I87 PolarHBondContact O-N 3.34Å
86I84.9Confident84.9Confident157 Ų15779.9 Ų79.981%0.80539%0.389SS*.  trans-83.4112.2168.1-60.8174.9000107.3
87I84Confident84.6Confident25 Ų2584.8 Ų84.813%0.12841%0.408CS..  trans-85.5121.7177-65-50.8000110.1W76 D77 Q80 R85 D91 M92W76-I87 HydrophobicContact CH2-CD1 4.1Å; W76-I87 HydrophobicContact CH2-CG2 4.27Å; W76-I87 HydrophobicContact CZ3-CD1 4.47Å; W76-I87 HydrophobicContact CZ3-CG2 3.88Å; D77-I87 VanDerWaalsContact OD1-CB 3.25Å; D77-I87 WeakPolarHBondContact OD1-CB 3.39Å; D77-I87 WeakPolarHBondContact OD1-CG1 3.46Å; D77-I87 WeakPolarHBondContact OD1-CG2 3.27Å; Q80-I87 HydrophobicContact CB-CD1 3.52Å; Q80-I87 HydrophobicContact CB-CG1 3.48Å; Q80-I87 VanDerWaalsContact CB-CG1 3.48Å; Q80-I87 HydrophobicContact CG-CD1 3.8Å; Q80-I87 HydrophobicContact CG-CG1 4.11Å; R85-I87 HydrophobicContact CB-CD1 4.38Å; R85-I87 PolarHBondContact O-N 3.34Å; I87-D91 HydrophobicContact CD1-CB 4.44Å; I87-D91 HydrophobicContact CG2-CB 4.22Å; I87-M92 HydrophobicContact CG2-CE 3.68Å; I87-M92 HydrophobicContact CG2-CG 3.65Å; I87-M92 HydrophobicContact CG2-SD 4.46Å
88T81.1Confident84.7Confident65 Ų6589.2 Ų89.240%0.39944%0.437SS..  trans-89.5166173.376.40000110.6T90 D91 M92T88-T90 PolarHBondContact O-N 3.11Å; T88-T90 PolarHBondContact OG1-N 3.48Å; T88-D91 WeakPolarHBondContact CA-OD2 3.46Å; T88-D91 VanDerWaalsContact CB-OD2 3.26Å; T88-D91 WeakPolarHBondContact CB-OD2 3.36Å; T88-D91 WeakPolarHBondContact CG2-OD2 3.27Å; T88-D91 PolarHBondContact N-OD2 3.37Å; T88-D91 PolarHBondContact O-N 3.15Å; T88-D91 VanDerWaalsContact OG1-CG 3.27Å; T88-D91 PolarHBondContact OG1-N 3.44Å; T88-D91 PolarHBondContact OG1-OD2 2.99Å; T88-M92 PolarHBondContact O-N 3.4Å
89R76.1Confident84.5Confident122 Ų12288.6 Ų88.646%0.4644%0.443SS..Hα-helixtrans-60.4-26.6172.2170.8165.2-176.7-142.8-1.3113K93 L105 L107R89-K93 WeakPolarHBondContact O-CG 3.45Å; R89-K93 PolarHBondContact O-N 3.47Å; R89-L105 PolarHBondContact NE-O 3.06Å; R89-L105 PolarHBondContact NH2-O 3.32Å; R89-L107 HydrophobicContact CB-CD1 3.86Å; R89-L107 HydrophobicContact CG-CB 4.45Å; R89-L107 HydrophobicContact CG-CD1 3.66Å; R89-L107 HydrophobicContact CG-CG 4.22Å
90T81.3Confident83.8Confident85 Ų8587.6 Ų87.652%0.52144%0.437SS..Hα-helixtrans-73.2-43.2178.7-530000110.1T88 M92 K93 D94T88-T90 PolarHBondContact O-N 3.11Å; T88-T90 PolarHBondContact OG1-N 3.48Å; T90-M92 VanDerWaalsContact C-N 3.35Å; T90-M92 PolarHBondContact O-N 3.32Å; T90-K93 WeakPolarHBondContact O-CA 3.25Å; T90-K93 VanDerWaalsContact O-CB 3.31Å; T90-K93 WeakPolarHBondContact O-CB 3.44Å; T90-K93 PolarHBondContact O-N 3.18Å; T90-D94 PolarHBondContact O-N 2.95Å
91D85.2Confident82.8Confident61 Ų6190.5 Ų90.533%0.32646%0.459SS..Hα-helixtrans-59.6-45.9178.3-51.5-51.4000111.1W76 I87 T88 K93 D94 E95W76-D91 HydrophobicContact CH2-CB 4.07Å; I87-D91 HydrophobicContact CD1-CB 4.44Å; I87-D91 HydrophobicContact CG2-CB 4.22Å; T88-D91 WeakPolarHBondContact CA-OD2 3.46Å; T88-D91 VanDerWaalsContact CB-OD2 3.26Å; T88-D91 WeakPolarHBondContact CB-OD2 3.36Å; T88-D91 WeakPolarHBondContact CG2-OD2 3.27Å; T88-D91 PolarHBondContact N-OD2 3.37Å; T88-D91 PolarHBondContact O-N 3.15Å; T88-D91 VanDerWaalsContact OG1-CG 3.27Å; T88-D91 PolarHBondContact OG1-N 3.44Å; T88-D91 PolarHBondContact OG1-OD2 2.99Å; D91-K93 PolarHBondContact O-N 3.45Å; D91-D94 PolarHBondContact O-N 2.93Å; D91-E95 PolarHBondContact O-N 3.36Å
92M80.8Confident81.8Confident14 Ų1491 Ų917%0.06947%0.472CS..Hα-helixtrans-61.3-31.4174.4-71.8-174.2-176.900113.3W76 D77 I87 T88 T90 V96 L107 V114W76-M92 HydrophobicContact CZ3-CG 4Å; D77-M92 HydrophobicContact CB-CE 3.82Å; D77-M92 WeakPolarHBondContact OD1-CE 3.03Å; D77-M92 WeakPolarHBondContact OD2-CE 3.4Å; I87-M92 HydrophobicContact CG2-CE 3.68Å; I87-M92 HydrophobicContact CG2-CG 3.65Å; I87-M92 HydrophobicContact CG2-SD 4.46Å; T88-M92 PolarHBondContact O-N 3.4Å; T90-M92 VanDerWaalsContact C-N 3.35Å; T90-M92 PolarHBondContact O-N 3.32Å; M92-V96 WeakPolarHBondContact O-CG2 3.47Å; M92-V96 PolarHBondContact O-N 3.21Å; M92-L107 HydrophobicContact CB-CD1 3.91Å; M92-L107 HydrophobicContact CG-CD1 4.21Å; M92-L107 HydrophobicContact SD-CD1 3.37Å; M92-L107 WeakPolarHBondContact SD-CD1 3.47Å; M92-L107 HydrophobicContact SD-CD2 4.14Å; M92-L107 HydrophobicContact SD-CG 4.41Å; M92-V114 HydrophobicContact CE-CG2 4.4Å; M92-V114 HydrophobicContact SD-CG2 3.64Å
93K77.8Confident80.6Confident77 Ų7785.3 Ų85.334%0.33545%0.446SS..Hα-helixtrans-70.1-42.6175.7-82.8178.3171-166.30111.7R89 T90 D91 E95 V96 R97 L105R89-K93 WeakPolarHBondContact O-CG 3.45Å; R89-K93 PolarHBondContact O-N 3.47Å; T90-K93 WeakPolarHBondContact O-CA 3.25Å; T90-K93 VanDerWaalsContact O-CB 3.31Å; T90-K93 WeakPolarHBondContact O-CB 3.44Å; T90-K93 PolarHBondContact O-N 3.18Å; D91-K93 PolarHBondContact O-N 3.45Å; K93-E95 VanDerWaalsContact C-N 3.29Å; K93-V96 PolarHBondContact O-N 3.43Å; K93-R97 VanDerWaalsContact O-CB 3.25Å; K93-R97 WeakPolarHBondContact O-CB 3.45Å; K93-R97 PolarHBondContact O-N 3.19Å; K93-L105 VanDerWaalsContact CA-CD1 3.45Å; K93-L105 HydrophobicContact CB-CD1 4.05Å; K93-L105 HydrophobicContact CG-CB 3.83Å; K93-L105 HydrophobicContact CG-CD1 3.51Å; K93-L105 HydrophobicContact CG-CG 4.31Å
94D85.1Confident78.8Confident72 Ų7283.1 Ų83.139%0.38543%0.434SS..Hα-helixtrans-71.5-28.9-178.5-66.6-32.3000111.6T90 D91 R97 P98T90-D94 PolarHBondContact O-N 2.95Å; D91-D94 PolarHBondContact O-N 2.93Å; D94-R97 IonicContact OD1-CZ 3.47Å; D94-R97 IonicContact OD1-NE 2.9Å; D94-R97 PolarHBondContact OD1-NE 3.16Å; D94-R97 VanDerWaalsContact OD1-NE 3.16Å; D94-R97 IonicContact OD1-NH2 3.47Å; D94-R97 PolarHBondContact OD1-NH2 3.13Å; D94-P98 WeakPolarHBondContact O-CD 3.25Å
95E86.1Confident77.2Confident87 Ų8780.2 Ų80.241%0.40740%0.403SS..Hα-helixtrans-66.5-40.4170.4-171.561-153.300112.7L73 W76 D91 K93 P98L73-E95 HydrophobicContact CD1-CB 3.86Å; L73-E95 HydrophobicContact CD1-CG 3.67Å; W76-E95 HydrophobicContact CD2-CG 3.89Å; W76-E95 HydrophobicContact CE3-CB 4.48Å; W76-E95 HydrophobicContact CE3-CG 4.2Å; W76-E95 HydrophobicContact CG-CG 4.27Å; W76-E95 HydrophobicContact CH2-CB 4.08Å; W76-E95 HydrophobicContact CH2-CG 4.46Å; W76-E95 HydrophobicContact CZ2-CB 4.11Å; W76-E95 HydrophobicContact CZ2-CG 4.17Å; W76-E95 HydrophobicContact CZ3-CB 4.28Å; W76-E95 HydrophobicContact CZ3-CG 4.47Å; W76-E95 PolarHBondContact NE1-OE2 3.02Å; D91-E95 PolarHBondContact O-N 3.36Å; K93-E95 VanDerWaalsContact C-N 3.29Å; E95-P98 WeakPolarHBondContact O-CD 3.42Å
96V80.3Confident75.4Confident3 Ų380 Ų802%0.01840%0.402CS..Hα-helixtrans-82-26.7-179.5176.80000112.8L69 L73 M92 K93 P98 L99 K100 L105 L116L69-V96 HydrophobicContact CD2-CG1 4.22Å; L73-V96 HydrophobicContact CD1-CG2 3.82Å; L73-V96 HydrophobicContact CD2-CG2 3.43Å; L73-V96 VanDerWaalsContact CD2-CG2 3.43Å; L73-V96 HydrophobicContact CG-CG2 4.18Å; M92-V96 WeakPolarHBondContact O-CG2 3.47Å; M92-V96 PolarHBondContact O-N 3.21Å; K93-V96 PolarHBondContact O-N 3.43Å; V96-P98 VanDerWaalsContact C-CD 3.44Å; V96-L99 PolarHBondContact O-N 3.24Å; V96-K100 HydrophobicContact CG1-CB 4.22Å; V96-K100 PolarHBondContact O-N 3.2Å; V96-L105 HydrophobicContact CB-CD1 3.89Å; V96-L105 HydrophobicContact CG1-CD1 4.34Å; V96-L105 HydrophobicContact CG2-CD1 3.99Å; V96-L116 HydrophobicContact CG1-CD2 3.97Å
97R82.5Confident73.7Confident149 Ų14974 Ų7456%0.56237%0.372SS*.THydrogen-bonded Turntrans-51.8-43.9-173.6178.5-163.8-62.5-1127.9113.5K93 D94 L99 K100 P101K93-R97 VanDerWaalsContact O-CB 3.25Å; K93-R97 WeakPolarHBondContact O-CB 3.45Å; K93-R97 PolarHBondContact O-N 3.19Å; D94-R97 IonicContact OD1-CZ 3.47Å; D94-R97 IonicContact OD1-NE 2.9Å; D94-R97 PolarHBondContact OD1-NE 3.16Å; D94-R97 VanDerWaalsContact OD1-NE 3.16Å; D94-R97 IonicContact OD1-NH2 3.47Å; D94-R97 PolarHBondContact OD1-NH2 3.13Å; R97-L99 PolarHBondContact O-N 3.45Å; R97-K100 CarbonylContact O-C 3.51Å; R97-K100 PolarHBondContact O-N 2.92Å; R97-P101 VanDerWaalsContact O-CA 3.27Å; R97-P101 WeakPolarHBondContact O-CA 3.25Å; R97-P101 WeakPolarHBondContact O-CD 3.38Å; R97-P101 VanDerWaalsContact O-N 3.12Å
98P84.3Confident72Confident107 Ų10780 Ų8070%0.69539%0.394SS*.THydrogen-bonded Turntrans-60.5-32.7178.3-2434000113.3D94 E95 V96D94-P98 WeakPolarHBondContact O-CD 3.25Å; E95-P98 WeakPolarHBondContact O-CD 3.42Å; V96-P98 VanDerWaalsContact C-CD 3.44Å
99L80.8Confident70Confident117 Ų11788.6 Ų88.661%0.61342%0.419SS*.THydrogen-bonded Turntrans-87.5-37.1-177-58.7176.1000112L69 V96 R97L69-L99 HydrophobicContact CD1-CB 4.47Å; L69-L99 HydrophobicContact CD1-CD1 3.5Å; L69-L99 VanDerWaalsContact CD1-CD1 3.5Å; V96-L99 PolarHBondContact O-N 3.24Å; R97-L99 PolarHBondContact O-N 3.45Å
100K73.9Confident68.2Low72 Ų7288.4 Ų88.431%0.31343%0.427SS..  trans-143.679.2-177.2-61.9-70.7178.9174.90110.7L69 V96 R97 T102 L103L69-K100 HydrophobicContact CD2-CG 3.85Å; V96-K100 HydrophobicContact CG1-CB 4.22Å; V96-K100 PolarHBondContact O-N 3.2Å; R97-K100 CarbonylContact O-C 3.51Å; R97-K100 PolarHBondContact O-N 2.92Å; K100-T102 PolarHBondContact O-N 3.01Å; K100-L103 HydrophobicContact CB-CB 3.83Å; K100-L103 HydrophobicContact CB-CD1 3.46Å; K100-L103 VanDerWaalsContact CB-CD1 3.46Å; K100-L103 HydrophobicContact CB-CG 4.23Å; K100-L103 HydrophobicContact CD-CD1 4.28Å; K100-L103 HydrophobicContact CG-CD1 3.67Å; K100-L103 WeakPolarHBondContact O-CB 3.45Å; K100-L103 PolarHBondContact O-N 3.33Å
101P70.2Confident66.3Low101 Ų10189.9 Ų89.966%0.65643%0.432SS*.THydrogen-bonded Turntrans-66.6-21.2-172.922.9-32.6000114.2R97R97-P101 VanDerWaalsContact O-CA 3.27Å; R97-P101 WeakPolarHBondContact O-CA 3.25Å; R97-P101 WeakPolarHBondContact O-CD 3.38Å; R97-P101 VanDerWaalsContact O-N 3.12Å
102T63.6Low64.4Low98 Ų9896.6 Ų96.660%0.60145%0.453SS*.THydrogen-bonded Turntrans-89.61.8-179.754.60000113.8K100 I104K100-T102 PolarHBondContact O-N 3.01Å; T102-I104 PolarHBondContact O-N 3.46Å
103L63Low62.8Low23 Ų23100.3 Ų100.312%0.1247%0.471CS..  trans-87.2116.6-166.2-133.5156.6000111.9K100 L105 L116 F117K100-L103 HydrophobicContact CB-CB 3.83Å; K100-L103 HydrophobicContact CB-CD1 3.46Å; K100-L103 VanDerWaalsContact CB-CD1 3.46Å; K100-L103 HydrophobicContact CB-CG 4.23Å; K100-L103 HydrophobicContact CD-CD1 4.28Å; K100-L103 HydrophobicContact CG-CD1 3.67Å; K100-L103 WeakPolarHBondContact O-CB 3.45Å; K100-L103 PolarHBondContact O-N 3.33Å; L103-L105 PolarHBondContact O-N 2.87Å; L103-L116 HydrophobicContact CD1-CB 4.15Å; L103-L116 HydrophobicContact CD1-CD2 3.99Å; L103-L116 HydrophobicContact CD1-CG 4.5Å; L103-L116 HydrophobicContact CD2-CB 3.64Å; L103-L116 HydrophobicContact CD2-CD2 3.46Å; L103-L116 VanDerWaalsContact CD2-CD2 3.46Å; L103-L116 HydrophobicContact CD2-CG 4.17Å; L103-L116 HydrophobicContact CG-CD2 4.19Å; L103-F117 VanDerWaalsContact CD2-O 3.23Å; L103-F117 WeakPolarHBondContact CD2-O 3.22Å
104I57.1Low61.6Low77 Ų7797.3 Ų97.340%0.39546%0.459SS..EExtended strand (participates in β ladder)trans-77.391.7170.2-60.5178.7000108.3T102 R106 E119T102-I104 PolarHBondContact O-N 3.46Å; I104-R106 PolarHBondContact O-N 3.47Å; I104-E119 HydrophobicContact CD1-CB 4.01Å; I104-E119 VanDerWaalsContact CD1-CD 3.42Å; I104-E119 HydrophobicContact CD1-CG 3.75Å; I104-E119 WeakPolarHBondContact CD1-OE1 3.4Å; I104-E119 HydrophobicContact CG1-CB 4.35Å
105L54.6Low60Low2 Ų295 Ų951%0.0145%0.446CS..EExtended strand (participates in β ladder)trans-60.6104.5169.8-91.8162.8000110.9R89 K93 V96 L103 L107 V114 L116R89-L105 PolarHBondContact NE-O 3.06Å; R89-L105 PolarHBondContact NH2-O 3.32Å; K93-L105 VanDerWaalsContact CA-CD1 3.45Å; K93-L105 HydrophobicContact CB-CD1 4.05Å; K93-L105 HydrophobicContact CG-CB 3.83Å; K93-L105 HydrophobicContact CG-CD1 3.51Å; K93-L105 HydrophobicContact CG-CG 4.31Å; V96-L105 HydrophobicContact CB-CD1 3.89Å; V96-L105 HydrophobicContact CG1-CD1 4.34Å; V96-L105 HydrophobicContact CG2-CD1 3.99Å; L103-L105 PolarHBondContact O-N 2.87Å; L105-L107 HydrophobicContact CD2-CD2 3.69Å; L105-L107 HydrophobicContact CD2-CG 4.32Å; L105-L107 PolarHBondContact O-N 3.08Å; L105-V114 HydrophobicContact CD2-CG1 3.26Å; L105-L116 HydrophobicContact CD1-CD2 4.27Å; L105-L116 HydrophobicContact CD2-CD2 3.15Å; L105-L116 HydrophobicContact CD2-CG 4.01Å; L105-L116 HydrophobicContact CG-CD2 3.48Å; L105-L116 VanDerWaalsContact CG-CD2 3.48Å
106R51Low58.4Low166 Ų16690.8 Ų90.863%0.62643%0.426SS*.  trans-98.371.9171-152.4173.8-165.2-177.96.1109.3I104 Y108 F117I104-R106 PolarHBondContact O-N 3.47Å; R106-Y108 PolarHBondContact O-N 3.34Å; R106-F117 HydrophobicContact CB-CD2 4.39Å
107L49.5Very low56.8Low32 Ų3295.1 Ų95.117%0.16845%0.445CS..  trans-62.3121.6171.4-58.1-172.2000109.9R89 M92 L105 V114R89-L107 HydrophobicContact CB-CD1 3.86Å; R89-L107 HydrophobicContact CG-CB 4.45Å; R89-L107 HydrophobicContact CG-CD1 3.66Å; R89-L107 HydrophobicContact CG-CG 4.22Å; M92-L107 HydrophobicContact CB-CD1 3.91Å; M92-L107 HydrophobicContact CG-CD1 4.21Å; M92-L107 HydrophobicContact SD-CD1 3.37Å; M92-L107 WeakPolarHBondContact SD-CD1 3.47Å; M92-L107 HydrophobicContact SD-CD2 4.14Å; M92-L107 HydrophobicContact SD-CG 4.41Å; L105-L107 HydrophobicContact CD2-CD2 3.69Å; L105-L107 HydrophobicContact CD2-CG 4.32Å; L105-L107 PolarHBondContact O-N 3.08Å; L107-V114 HydrophobicContact CD2-CB 3.63Å; L107-V114 HydrophobicContact CD2-CG1 3.19Å; L107-V114 HydrophobicContact CD2-CG2 3.55Å
108Y46.7Very low55Low151 Ų15194.9 Ų94.959%0.59245%0.45SS*.  trans-81.7149.7172.4-108.8-93.3000110.3R106 N110R106-Y108 PolarHBondContact O-N 3.34Å; Y108-N110 PolarHBondContact O-N 2.96Å
109R40.5Very low53Low244 Ų24493.8 Ų93.892%0.92144%0.435SS*.SBendtrans-67.927.1-171.6-155.5-167.1-70.7-126.6-3.2115.3
110N37Very low50.8Low119 Ų11998 Ų9864%0.63645%0.449SS*.SBendtrans-130.8133.1179.5-57.7-8.6000108.5Y108 W112Y108-N110 PolarHBondContact O-N 2.96Å; N110-W112 PolarHBondContact O-N 3.31Å
111D42Very low49Very low116 Ų11698.2 Ų98.262%0.6247%0.472SS*.THydrogen-bonded Turntrans-47.3-1.7-161.8-111.4-10.3000120.6R81R81-D111 IonicContact CZ-OD1 3.65Å; R81-D111 IonicContact NH1-OD1 3.72Å; R81-D111 PolarHBondContact NH1-OD1 3.27Å; R81-D111 IonicContact NH1-OD2 2.72Å; R81-D111 PolarHBondContact NH2-O 3.04Å; R81-D111 IonicContact NH2-OD1 3.53Å; R81-D111 PolarHBondContact NH2-OD1 3.44Å
112W45.7Very low47.5Very low201 Ų201103.1 Ų103.176%0.76148%0.477SS*.THydrogen-bonded Turntrans-159.240.9-158.953.2-74.8000115.1N110N110-W112 PolarHBondContact O-N 3.31Å
113M46.3Very low46.1Very low93 Ų93103.9 Ų103.946%0.45848%0.484SS..  trans-163.9113.2161.5-149.5167.7-89.100112.3Q115M113-Q115 HydrophobicContact CG-CG 4.46Å
114V52.9Low45Very low13 Ų13109.8 Ų109.88%0.07951%0.51CS..  trans-90.3106.9170.2178.40000107.9E70 L73 M92 L105 L107 L116E70-V114 VanDerWaalsContact CG-O 3.22Å; E70-V114 WeakPolarHBondContact CG-O 3.47Å; E70-V114 VanDerWaalsContact OE2-O 3.1Å; L73-V114 HydrophobicContact CD2-CB 3.9Å; L73-V114 HydrophobicContact CD2-CG1 3.44Å; L73-V114 VanDerWaalsContact CD2-CG1 3.44Å; L73-V114 HydrophobicContact CD2-CG2 3.79Å; L73-V114 HydrophobicContact CG-CG2 4.37Å; M92-V114 HydrophobicContact CE-CG2 4.4Å; M92-V114 HydrophobicContact SD-CG2 3.64Å; L105-V114 HydrophobicContact CD2-CG1 3.26Å; L107-V114 HydrophobicContact CD2-CB 3.63Å; L107-V114 HydrophobicContact CD2-CG1 3.19Å; L107-V114 HydrophobicContact CD2-CG2 3.55Å; V114-L116 HydrophobicContact CG1-CG 4.29Å
115Q52.3Low44.2Very low23 Ų23111.3 Ų111.311%0.10753%0.525CS..  trans-98.3121.8168.2-77.5-170.5-23.400110.9G62 M113 F117G62-Q115 VanDerWaalsContact N-OE1 3.14Å; G62-Q115 PolarHBondContact O-NE2 2.95Å; M113-Q115 HydrophobicContact CG-CG 4.46Å; Q115-F117 HydrophobicContact CB-CD2 4.21Å; Q115-F117 HydrophobicContact CB-CE2 3.53Å; Q115-F117 HydrophobicContact CB-CZ 4.14Å
116L52.8Low43.3Very low0 Ų0119.8 Ų119.80%057%0.565CS.*EExtended strand (participates in β ladder)trans-91.6116.9179.9-72.9167.4000108.3S65 W66 L69 E70 V96 L103 L105 V114S65-L116 WeakPolarHBondContact CB-O 3.25Å; W66-L116 HydrophobicContact CB-CD1 4.34Å; L69-L116 HydrophobicContact CB-CD1 4.24Å; L69-L116 HydrophobicContact CD2-CD1 3.41Å; L69-L116 VanDerWaalsContact CD2-CD1 3.41Å; L69-L116 HydrophobicContact CG-CD1 3.59Å; E70-L116 HydrophobicContact CG-CD1 3.86Å; E70-L116 HydrophobicContact CG-CG 4.22Å; E70-L116 PolarHBondContact OE1-N 3.03Å; V96-L116 HydrophobicContact CG1-CD2 3.97Å; L103-L116 HydrophobicContact CD1-CB 4.15Å; L103-L116 HydrophobicContact CD1-CD2 3.99Å; L103-L116 HydrophobicContact CD1-CG 4.5Å; L103-L116 HydrophobicContact CD2-CB 3.64Å; L103-L116 HydrophobicContact CD2-CD2 3.46Å; L103-L116 VanDerWaalsContact CD2-CD2 3.46Å; L103-L116 HydrophobicContact CD2-CG 4.17Å; L103-L116 HydrophobicContact CG-CD2 4.19Å; L105-L116 HydrophobicContact CD1-CD2 4.27Å; L105-L116 HydrophobicContact CD2-CD2 3.15Å; L105-L116 HydrophobicContact CD2-CG 4.01Å; L105-L116 HydrophobicContact CG-CD2 3.48Å; L105-L116 VanDerWaalsContact CG-CD2 3.48Å; V114-L116 HydrophobicContact CG1-CG 4.29Å
117F45.1Very low42.7Very low94 Ų94116.6 Ų116.641%0.41256%0.564SS.*EExtended strand (participates in β ladder)trans-113.2140.3177.6-70.3-85.6000111.4L103 R106 Q115L103-F117 VanDerWaalsContact CD2-O 3.23Å; L103-F117 WeakPolarHBondContact CD2-O 3.22Å; R106-F117 HydrophobicContact CB-CD2 4.39Å; Q115-F117 HydrophobicContact CB-CD2 4.21Å; Q115-F117 HydrophobicContact CB-CE2 3.53Å; Q115-F117 HydrophobicContact CB-CZ 4.14Å
118H46.2Very low42.1Very low143 Ų143123.9 Ų123.966%0.66259%0.594SS**  trans-66137.3174-142.1-80.4000110.8K120H118-K120 PolarHBondContact O-N 2.73Å
119E42.3Very low41.7Very low84 Ų84123.6 Ų123.639%0.39360%0.603SS.*  trans-68.6115.9162.7-168.4164.5-155.800107.1I104 G121I104-E119 HydrophobicContact CD1-CB 4.01Å; I104-E119 VanDerWaalsContact CD1-CD 3.42Å; I104-E119 HydrophobicContact CD1-CG 3.75Å; I104-E119 WeakPolarHBondContact CD1-OE1 3.4Å; I104-E119 HydrophobicContact CG1-CB 4.35Å; E119-G121 PolarHBondContact O-N 2.64Å
120K35Very low41.6Very low207 Ų207120.8 Ų120.890%0.960%0.6SS**SBendtrans-71.5111.5173.7-76.3-141.3175.4-167.60108H118H118-K120 PolarHBondContact O-N 2.73Å
121G34.7Very low41.6Very low76 Ų76121.2 Ų121.278%0.78460%0.603SS**  trans99.151.7154.800000117.5E119E119-G121 PolarHBondContact O-N 2.64Å
122R39.1Very low41.3Very low204 Ų204121.7 Ų121.777%0.7761%0.614SS**  trans-118.1129150.5-117.7-154.3-72.2-143.30.7110.3H124R122-H124 PolarHBondContact O-N 3.44Å
123P35.3Very low41.3Very low114 Ų114117.6 Ų117.674%0.7461%0.611SS**  trans-57.5137.1169.6-16.429.1000108.8
124H38.9Very low41Very low146 Ų146117.5 Ų117.568%0.67663%0.625SS**  trans-53.6131.2163.7-166.7-75.3000107.1R122 E126R122-H124 PolarHBondContact O-N 3.44Å; H124-E126 PolarHBondContact O-N 2.95Å
125P39.8Very low40.5Very low110 Ų110124.4 Ų124.471%0.71466%0.662SS**  trans-61.9110.2164.625.4-28.4000105.3T127P125-T127 PolarHBondContact O-N 2.97Å
126E36.5Very low40.1Very low179 Ų179128.3 Ų128.384%0.83670%0.698SS**  trans-44117.8170.3-72.4173.7165.500106.6H124 K128H124-E126 PolarHBondContact O-N 2.95Å; E126-K128 PolarHBondContact O-N 2.96Å
127T39Very low39.6Very low100 Ų100134.7 Ų134.761%0.61374%0.741SS**  trans-49.9115.5162.538.40000104.5P125 D129P125-T127 PolarHBondContact O-N 2.97Å; T127-D129 VanDerWaalsContact C-N 3.3Å; T127-D129 PolarHBondContact O-N 2.77Å
128K36.4Very low39.5Very low184 Ų184133.8 Ų133.880%0.876%0.758SS**  trans-53.2109.5167-72.1-177.61781790104.6E126 E130E126-K128 PolarHBondContact O-N 2.96Å; K128-E130 PolarHBondContact O-N 2.84Å
129D38.3Very low39.2Very low145 Ų145137.9 Ų137.978%0.77577%0.774SS**  trans-62.989.2164.5-68.3-42.2000105.2T127 N131T127-D129 VanDerWaalsContact C-N 3.3Å; T127-D129 PolarHBondContact O-N 2.77Å; D129-N131 PolarHBondContact O-N 2.84Å
130E38.1Very low39.1Very low185 Ų185137.8 Ų137.886%0.86480%0.796SS**  trans-68.266.7161.6-68.6-172.916600107.3K128K128-E130 PolarHBondContact O-N 2.84Å
131N36.6Very low39.3Very low129 Ų129135.3 Ų135.369%0.6983%0.829SS**  trans-157.273.4162.4-161.612.8000110.8D129D129-N131 PolarHBondContact O-N 2.84Å
132C35.9Very low39.5Very low126 Ų126138.3 Ų138.385%0.85183%0.831SS**  trans-129.389146.8-1160000107
133T46.7Very low39.5Very low114 Ų114134.8 Ų134.870%0.69983%0.834SS**  trans-7.6123.3158.2470000116N135T133-N135 PolarHBondContact O-N 3.28Å
134A38.2Very low39.8Very low92 Ų92136 Ų13676%0.7684%0.84SS**  trans-44.6121.2160.300000111.4
135N42.6Very low39.8Very low158 Ų158135.4 Ų135.485%0.84585%0.849SS**  trans-175.886.6148.1-89.3-31.5000109.5T133T133-N135 PolarHBondContact O-N 3.28Å
136A44.6Very low39.8Very low105 Ų105137 Ų13787%0.86886%0.858SS**  trans-149.970.115600000108.3
137C43.2Very low40Very low134 Ų134134.2 Ų134.291%0.90586%0.859SS**  trans-68.2134.8157.3-70.20000108.8
138G42.3Very low40.1Very low74 Ų74136.6 Ų136.676%0.76388%0.877SS**  trans121.281.3152.500000116.7
139F39.5Very low40.4Very low230 Ų230133 Ų133100%1.00988%0.883SS**  trans-104.7115.2142.4-97.6-89.5000107.2
140G40.6Very low40.6Very low82 Ų82132 Ų13285%0.84589%0.892SS**  trans-171.598.4175.800000108
141G38.7Very low40.8Very low155 Ų155127.2 Ų127.2100%1.59889%0.894SS**  trans-176.50179.400000109.4

Retrieved 141 of 141 residues in 141.1 ms (Link to these results)

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