A0A077Z616_TRITR Loading...

WGS project CAEQ00000000 data, annotated contig 1 422

AlphaFold DB , UniProt , Accession A0A077Z616, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 62 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
1M33.7Very low37.1Very low185 Ų185116.8 Ų116.891%0.91160%0.599SS**  0-44.60-153.8173.3-174.500110.7E3 A4 V5M1-E3 PolarHBondContact O-N 3.48Å; M1-A4 PolarHBondContact O-N 2.99Å; M1-V5 PolarHBondContact O-N 3.33Å
2E31.3Very low37.5Very low161 Ų161108.7 Ų108.775%0.75256%0.562SS**Hα-helixtrans-53.1-47.4174.1-87.1172.9101.500115A4 V5 W6E2-A4 VanDerWaalsContact C-N 3.27Å; E2-A4 PolarHBondContact O-N 2.82Å; E2-V5 PolarHBondContact O-N 2.95Å; E2-W6 PolarHBondContact O-N 3.08Å; E2-W6 VanDerWaalsContact O-N 3.14Å
3E34.4Very low37.9Very low176 Ų176105.6 Ų105.682%0.82255%0.551SS**Hα-helixtrans-60.2-35.2-178.8-80.2-171.1126.100113.5M1 W6 S7M1-E3 PolarHBondContact O-N 3.48Å; E3-W6 PolarHBondContact O-N 3.13Å; E3-S7 WeakPolarHBondContact O-CB 3.47Å; E3-S7 PolarHBondContact O-N 3.28Å; E3-S7 VanDerWaalsContact O-N 3.08Å
4A35.9Very low38.2Very low46 Ų46100.5 Ų100.538%0.3853%0.532SS..Hα-helixtrans-69.5-40-178.900000111.1M1 E2 S7 A10M1-A4 PolarHBondContact O-N 2.99Å; E2-A4 VanDerWaalsContact C-N 3.27Å; E2-A4 PolarHBondContact O-N 2.82Å; A4-S7 PolarHBondContact O-N 3.25Å; A4-S7 PolarHBondContact O-OG 3.17Å; A4-A10 HydrophobicContact CB-CB 3.69Å; A4-A10 WeakPolarHBondContact O-CB 3.5Å
5V36.7Very low38.5Very low49 Ų4999.3 Ų99.330%0.29754%0.541SS..Hα-helixtrans-65.4-40.4177.2178.50000111.2M1 E2 A12 W47M1-V5 PolarHBondContact O-N 3.33Å; E2-V5 PolarHBondContact O-N 2.95Å; V5-A12 HydrophobicContact CG2-CB 4.07Å; V5-W47 HydrophobicContact CG1-CH2 4.39Å
6W37.5Very low38.9Very low223 Ų22397.7 Ų97.785%0.84553%0.532SS*.Hα-helixtrans-74.9-25.7179.7-82.828.4000113.8E2 E3 K8E2-W6 PolarHBondContact O-N 3.08Å; E2-W6 VanDerWaalsContact O-N 3.14Å; E3-W6 PolarHBondContact O-N 3.13Å; W6-K8 PolarHBondContact O-N 3.14Å; W6-K8 VanDerWaalsContact O-N 3.17Å
7S45.7Very low38.9Very low72 Ų72102.2 Ų102.250%0.50354%0.541SS..THydrogen-bonded Turntrans-71.6-1.3176.776.70000114.9E3 A4 N9E3-S7 WeakPolarHBondContact O-CB 3.47Å; E3-S7 PolarHBondContact O-N 3.28Å; E3-S7 VanDerWaalsContact O-N 3.08Å; A4-S7 PolarHBondContact O-N 3.25Å; A4-S7 PolarHBondContact O-OG 3.17Å; S7-N9 PolarHBondContact O-N 3.47Å; S7-N9 PolarHBondContact OG-N 3.23Å
8K41.8Very low39.1Very low118 Ų11898.9 Ų98.951%0.51353%0.525SS..THydrogen-bonded Turntrans579.1-174.3-59.5-175.5174.6-171.50115.3W6 W42W6-K8 PolarHBondContact O-N 3.14Å; W6-K8 VanDerWaalsContact O-N 3.17Å; K8-W42 HydrophobicContact CB-CG 4.47Å; K8-W42 HydrophobicContact CD-CZ2 4.46Å
9N33.2Very low39.1Very low154 Ų154103.2 Ų103.282%0.82454%0.542SS*.  trans-107.65-178.5-106.7-8.4000113.5S7S7-N9 PolarHBondContact O-N 3.47Å; S7-N9 PolarHBondContact OG-N 3.23Å
10A35.2Very low39.2Very low24 Ų24101.5 Ų101.520%0.19855%0.55CS..  trans-105.3125.9179.700000111.9A4 A12A4-A10 HydrophobicContact CB-CB 3.69Å; A4-A10 WeakPolarHBondContact O-CB 3.5Å; A10-A12 PolarHBondContact O-N 3.49Å; A10-A12 VanDerWaalsContact O-N 3.13Å
11S43.3Very low39.2Very low77 Ų7798.7 Ų98.754%0.53854%0.538SS..  trans-66.4102.4151.5-28.60000106.8V13 Y40S11-V13 PolarHBondContact O-N 3.43Å; S11-Y40 WeakPolarHBondContact CA-O 3.33Å
12A41Very low39.6Very low19 Ų1995.2 Ų95.216%0.15752%0.519CS..EExtended strand (participates in β ladder)trans-77.2113172.900000107V5 A10 A14 Y40V5-A12 HydrophobicContact CG2-CB 4.07Å; A10-A12 PolarHBondContact O-N 3.49Å; A10-A12 VanDerWaalsContact O-N 3.13Å; A12-A14 PolarHBondContact O-N 3.08Å; A12-Y40 PolarHBondContact N-O 3.1Å; A12-Y40 WeakPolarHBondContact O-CD2 3.12Å; A12-Y40 PolarHBondContact O-N 3.21Å
13V43Very low40.2Very low69 Ų6994 Ų9442%0.41851%0.512SS..EExtended strand (participates in β ladder)trans-85.9105.9166.9178.60000105.8S11 T37 F38 Q39S11-V13 PolarHBondContact O-N 3.43Å; V13-T37 HydrophobicContact CG1-CG2 3.47Å; V13-T37 VanDerWaalsContact CG1-CG2 3.47Å; V13-F38 WeakPolarHBondContact CA-O 3.2Å; V13-Q39 HydrophobicContact CG2-CG 4.15Å
14A42.4Very low40.4Very low34 Ų3490.5 Ų90.528%0.28150%0.497SS..EExtended strand (participates in β ladder)trans-96.3114.3167.400000107.4A12 L16 F38 Y40A12-A14 PolarHBondContact O-N 3.08Å; A14-L16 VanDerWaalsContact C-N 3.3Å; A14-L16 HydrophobicContact CB-CD1 4.4Å; A14-L16 PolarHBondContact O-N 3.31Å; A14-L16 VanDerWaalsContact O-N 3.1Å; A14-F38 PolarHBondContact N-O 2.86Å; A14-F38 PolarHBondContact O-N 3.24Å; A14-Y40 HydrophobicContact CB-CD2 4.32Å; A14-Y40 HydrophobicContact CB-CE2 3.68Å
15A43Very low40.7Very low82 Ų8292.1 Ų92.168%0.67850%0.503SS*.EExtended strand (participates in β ladder)trans-74.392.4160.800000106.6Y17A15-Y17 PolarHBondContact O-N 3.45Å
16L44.2Very low41.1Very low74 Ų7497.1 Ų97.139%0.38753%0.534SS..EExtended strand (participates in β ladder)trans-80.7105.7169.6-87.8142.2000107A14 T18 F38 Y40A14-L16 VanDerWaalsContact C-N 3.3Å; A14-L16 HydrophobicContact CB-CD1 4.4Å; A14-L16 PolarHBondContact O-N 3.31Å; A14-L16 VanDerWaalsContact O-N 3.1Å; L16-T18 VanDerWaalsContact C-N 3.28Å; L16-T18 HydrophobicContact CB-CG2 4.01Å; L16-T18 PolarHBondContact O-N 2.81Å; L16-F38 HydrophobicContact CB-CD2 3.98Å; L16-F38 HydrophobicContact CB-CE2 4.05Å; L16-F38 HydrophobicContact CD1-CD2 3.81Å; L16-F38 HydrophobicContact CD1-CE2 4.27Å; L16-F38 HydrophobicContact CD1-CG 4.46Å; L16-Y40 VanDerWaalsContact CD1-OH 3.26Å; L16-Y40 WeakPolarHBondContact CD1-OH 3.4Å
17Y39.5Very low41.7Very low175 Ų17590.6 Ų90.669%0.68654%0.536SS*.  trans-65.493.9163.4-114.5-88.8000107.4A15A15-Y17 PolarHBondContact O-N 3.45Å
18T42.3Very low41.8Very low43 Ų4389.1 Ų89.126%0.26453%0.526SS..  trans-97.298.2174.462.40000108.3L16 G20 C21L16-T18 VanDerWaalsContact C-N 3.28Å; L16-T18 HydrophobicContact CB-CG2 4.01Å; L16-T18 PolarHBondContact O-N 2.81Å; T18-G20 PolarHBondContact O-N 2.89Å; T18-C21 PolarHBondContact OG1-SG 2.79Å
19E39.2Very low42.3Very low180 Ų18087.9 Ų87.984%0.84153%0.528SS*.THydrogen-bonded Turntrans-63-4.2171.7-62.9-174.6163.700112.9
20G40.5Very low42.9Very low68 Ų6887.1 Ų87.170%0.70151%0.514SS*.THydrogen-bonded Turntrans-103.3-4.1-169.300000117.4T18 H22T18-G20 PolarHBondContact O-N 2.89Å; G20-H22 VanDerWaalsContact C-N 3.3Å; G20-H22 PolarHBondContact O-N 2.88Å
21C39.9Very low43.8Very low44 Ų4488.8 Ų88.830%0.29752%0.518SS..  trans-87.567.9-177.6-67.80000112.1T18 F23 Y36T18-C21 PolarHBondContact OG1-SG 2.79Å; C21-F23 VanDerWaalsContact C-N 3.3Å; C21-F23 PolarHBondContact O-N 2.86Å; C21-Y36 HydrophobicContact CB-CD2 4.21Å; C21-Y36 HydrophobicContact CB-CE2 3.4Å; C21-Y36 VanDerWaalsContact CB-CE2 3.4Å
22H41.9Very low44.2Very low112 Ų11286.7 Ų86.752%0.51950%0.502SS..  trans-71.488.4160.8-83.6174.4000109.4G20 M24 I31G20-H22 VanDerWaalsContact C-N 3.3Å; G20-H22 PolarHBondContact O-N 2.88Å; H22-M24 VanDerWaalsContact C-N 3.26Å; H22-M24 PolarHBondContact O-N 3.19Å; H22-M24 VanDerWaalsContact O-N 3.08Å; H22-I31 WeakPolarHBondContact NE2-CG2 3.45Å
23F43Very low44.9Very low136 Ų13689.6 Ų89.660%0.59652%0.515SS*.  trans-73.391.5153.9-84.8-88.5000107.3C21 P25 Y36C21-F23 VanDerWaalsContact C-N 3.3Å; C21-F23 PolarHBondContact O-N 2.86Å; F23-P25 VanDerWaalsContact O-CD 3.32Å; F23-P25 WeakPolarHBondContact O-CD 3.33Å; F23-Y36 WeakPolarHBondContact CD2-OH 3.36Å; F23-Y36 WeakPolarHBondContact CE2-OH 3.47Å
24M38.5Very low45.5Very low102 Ų10286.8 Ų86.850%0.50250%0.5SS..  trans-93.3103.3157.6-69.8-171.876.800106.9H22 T26H22-M24 VanDerWaalsContact C-N 3.26Å; H22-M24 PolarHBondContact O-N 3.19Å; H22-M24 VanDerWaalsContact O-N 3.08Å; M24-T26 PolarHBondContact O-N 3.27Å
25P42.4Very low46.4Very low80 Ų8087.2 Ų87.252%0.51950%0.498SS..  trans-58.3126.3163.4-6.517.8000106.7F23 G27 S28F23-P25 VanDerWaalsContact O-CD 3.32Å; F23-P25 WeakPolarHBondContact O-CD 3.33Å; P25-G27 PolarHBondContact O-N 3.03Å; P25-S28 VanDerWaalsContact CB-OG 3.32Å; P25-S28 WeakPolarHBondContact CB-OG 3.47Å; P25-S28 WeakPolarHBondContact CD-OG 3.37Å; P25-S28 VanDerWaalsContact CG-OG 3.26Å; P25-S28 WeakPolarHBondContact CG-OG 3.42Å; P25-S28 WeakPolarHBondContact O-CB 3.08Å; P25-S28 PolarHBondContact O-N 2.9Å; P25-S28 PolarHBondContact O-OG 3.49Å
26T45.8Very low47.3Very low154 Ų15484.6 Ų84.695%0.94547%0.47SS*.THydrogen-bonded Turntrans-50.2117.2178.428.80000109.6M24M24-T26 PolarHBondContact O-N 3.27Å
27G50.2Low48Very low86 Ų8683.3 Ų83.389%0.88747%0.465SS*.THydrogen-bonded Turntrans104.6-0.5-176.200000116.3P25P25-G27 PolarHBondContact O-N 3.03Å
28S48.4Very low49Very low41 Ų4176.7 Ų76.729%0.28744%0.44SS..  trans-92.7122.5179.2-40.90000111.8P25 R30P25-S28 VanDerWaalsContact CB-OG 3.32Å; P25-S28 WeakPolarHBondContact CB-OG 3.47Å; P25-S28 WeakPolarHBondContact CD-OG 3.37Å; P25-S28 VanDerWaalsContact CG-OG 3.26Å; P25-S28 WeakPolarHBondContact CG-OG 3.42Å; P25-S28 WeakPolarHBondContact O-CB 3.08Å; P25-S28 PolarHBondContact O-N 2.9Å; P25-S28 PolarHBondContact O-OG 3.49Å; S28-R30 PolarHBondContact O-N 3.3Å; S28-R30 VanDerWaalsContact O-N 3.08Å
29T52.4Low50Low92 Ų9278.9 Ų78.956%0.56445%0.448SS*.SBendtrans-7827.6167.655.40000112.4K61 G62T29-K61 CarbonylContact O-C 3.56Å; T29-K61 WeakPolarHBondContact O-CA 2.97Å; T29-G62 PolarHBondContact O-N 2.92Å
30R44Very low51.3Low137 Ų13773.2 Ų73.252%0.51742%0.419SS..EExtended strand (participates in β ladder)trans-131.4124.6-176.7-75.2-177.9168.3175.8-3.1110.1S28 V59 A60 K61S28-R30 PolarHBondContact O-N 3.3Å; S28-R30 VanDerWaalsContact O-N 3.08Å; R30-V59 HydrophobicContact CB-CG1 4.06Å; R30-V59 HydrophobicContact CG-CG1 4.18Å; R30-A60 CarbonylContact C-O 3.57Å; R30-A60 VanDerWaalsContact CA-O 3.25Å; R30-A60 WeakPolarHBondContact CA-O 3.26Å; R30-K61 HydrophobicContact CG-CB 4.42Å; R30-K61 HydrophobicContact CG-CG 4.19Å
31I54Low52.4Low59 Ų5971.1 Ų71.130%0.30340%0.398SS..EExtended strand (participates in β ladder)trans-91.3121.4171.4-61.7171000106.5H22 V59 A60H22-I31 WeakPolarHBondContact NE2-CG2 3.45Å; I31-V59 WeakPolarHBondContact O-CA 3.36Å; I31-A60 PolarHBondContact N-O 2.77Å; I31-A60 PolarHBondContact O-N 3.08Å
32V53.1Low53.9Low33 Ų3372.8 Ų72.820%0.240%0.398CS..EExtended strand (participates in β ladder)trans-105.7114.1177-174.40000107.8F54 V56 V59V32-F54 HydrophobicContact CG1-CE1 3.9Å; V32-F54 HydrophobicContact CG1-CZ 3.85Å; V32-V56 HydrophobicContact CG1-CB 4.23Å; V32-V56 HydrophobicContact CG1-CG1 3.68Å; V32-V56 HydrophobicContact CG1-CG2 3.65Å; V32-V59 HydrophobicContact CG1-CG2 4.43Å; V32-V59 HydrophobicContact CG2-CG1 4.44Å; V32-V59 HydrophobicContact CG2-CG2 4.4Å
33L54.3Low55.3Low81 Ų8175.6 Ų75.642%0.42441%0.405SS..EExtended strand (participates in β ladder)trans-92.8127.4169.1-71.2160.5000107.4V57 S58L33-V57 PolarHBondContact O-N 3.08Å; L33-S58 PolarHBondContact N-O 2.89Å; L33-S58 PolarHBondContact O-N 2.77Å; L33-S58 VanDerWaalsContact O-N 3.12Å
34G57.3Low57.2Low10 Ų1075.2 Ų75.210%0.10341%0.409CS..EExtended strand (participates in β ladder)trans-145151179.800000113.1N55G34-N55 CarbonylContact C-O 3.39Å; G34-N55 WeakPolarHBondContact CA-O 3.25Å
35D60.5Low59.2Low43 Ų4374.7 Ų74.723%0.2342%0.416CS..EExtended strand (participates in β ladder)trans-91.5134.1173-68.3-41.9000109.7N55 V57D35-N55 PolarHBondContact N-O 3.21Å; D35-N55 PolarHBondContact O-N 2.76Å; D35-V57 HydrophobicContact CB-CG2 4.25Å; D35-V57 VanDerWaalsContact OD2-CG2 3.22Å; D35-V57 WeakPolarHBondContact OD2-CG2 3.45Å
36Y61.4Low60.8Low27 Ų2776.3 Ų76.311%0.10642%0.416CS..EExtended strand (participates in β ladder)trans-99129170.9-72.2-91.5000109.7C21 F23 F38 V51 F54C21-Y36 HydrophobicContact CB-CD2 4.21Å; C21-Y36 HydrophobicContact CB-CE2 3.4Å; C21-Y36 VanDerWaalsContact CB-CE2 3.4Å; F23-Y36 WeakPolarHBondContact CD2-OH 3.36Å; F23-Y36 WeakPolarHBondContact CE2-OH 3.47Å; Y36-F38 HydrophobicContact CD1-CZ 4.32Å; Y36-F38 HydrophobicContact CG-CE2 4.21Å; Y36-F38 HydrophobicContact CG-CZ 4.04Å; Y36-V51 HydrophobicContact CD1-CG1 4.23Å; Y36-F54 HydrophobicContact CD1-CB 4.33Å; Y36-F54 HydrophobicContact CD1-CD2 4.1Å; Y36-F54 AromaticContact CD2-CD2 3.94Å; Y36-F54 HydrophobicContact CD2-CD2 3.94Å; Y36-F54 HydrophobicContact CD2-CE2 4.3Å; Y36-F54 HydrophobicContact CE1-CB 3.98Å; Y36-F54 AromaticContact CE1-CD2 3.6Å; Y36-F54 HydrophobicContact CE1-CD2 3.6Å; Y36-F54 HydrophobicContact CE1-CE2 4.42Å; Y36-F54 HydrophobicContact CE1-CG 4.15Å; Y36-F54 AromaticContact CE2-CD2 3.36Å; Y36-F54 HydrophobicContact CE2-CD2 3.36Å; Y36-F54 AromaticContact CE2-CE2 3.49Å; Y36-F54 HydrophobicContact CE2-CE2 3.49Å; Y36-F54 VanDerWaalsContact CE2-CE2 3.49Å; Y36-F54 HydrophobicContact CG-CD2 4.26Å; Y36-F54 AromaticContact CZ-CD2 3.18Å; Y36-F54 AromaticContact CZ-CE2 3.57Å; Y36-F54 WeakPolarHBondContact OH-CD2 3.32Å; Y36-F54 WeakPolarHBondContact OH-CE2 3.32Å
37T59Low62.2Low46 Ų4674.9 Ų74.928%0.28239%0.394SS..EExtended strand (participates in β ladder)trans-95.8118.6166.7-49.90000108.2V13 G52 C53V13-T37 HydrophobicContact CG1-CG2 3.47Å; V13-T37 VanDerWaalsContact CG1-CG2 3.47Å; T37-G52 WeakPolarHBondContact O-CA 3.33Å; T37-G52 PolarHBondContact O-N 2.99Å; T37-C53 PolarHBondContact N-O 2.97Å
38F61.6Low62.9Low36 Ų3675.3 Ų75.316%0.15837%0.369CS..EExtended strand (participates in β ladder)trans-104.4133.6173.1-60.5-88.5000109.4V13 A14 L16 Y36 Y40 I49 V51V13-F38 WeakPolarHBondContact CA-O 3.2Å; A14-F38 PolarHBondContact N-O 2.86Å; A14-F38 PolarHBondContact O-N 3.24Å; L16-F38 HydrophobicContact CB-CD2 3.98Å; L16-F38 HydrophobicContact CB-CE2 4.05Å; L16-F38 HydrophobicContact CD1-CD2 3.81Å; L16-F38 HydrophobicContact CD1-CE2 4.27Å; L16-F38 HydrophobicContact CD1-CG 4.46Å; Y36-F38 HydrophobicContact CD1-CZ 4.32Å; Y36-F38 HydrophobicContact CG-CE2 4.21Å; Y36-F38 HydrophobicContact CG-CZ 4.04Å; F38-Y40 HydrophobicContact CB-CE2 3.77Å; F38-I49 HydrophobicContact CB-CG2 4.31Å; F38-I49 HydrophobicContact CD1-CG2 3.84Å; F38-I49 HydrophobicContact CG-CG2 4.49Å; F38-V51 HydrophobicContact CD1-CB 4.34Å; F38-V51 HydrophobicContact CD1-CG1 4.22Å; F38-V51 HydrophobicContact CD1-CG2 4.04Å; F38-V51 HydrophobicContact CE1-CB 4.31Å; F38-V51 HydrophobicContact CE1-CG1 3.87Å; F38-V51 HydrophobicContact CE1-CG2 3.89Å
39Q62.5Low64Low90 Ų9078 Ų7842%0.42138%0.38SS..EExtended strand (participates in β ladder)trans-113.2117.2176.1-162.5172.86.400108.5V13 H50V13-Q39 HydrophobicContact CG2-CG 4.15Å; Q39-H50 HydrophobicContact CB-CB 4.39Å; Q39-H50 PolarHBondContact N-O 3.5Å; Q39-H50 WeakPolarHBondContact O-CB 3.38Å; Q39-H50 PolarHBondContact O-N 3.02Å
40Y66Low64.5Low60 Ų6079.6 Ų79.624%0.23538%0.38CS..EExtended strand (participates in β ladder)trans-92.9130179.9-61.6-100.5000108.9S11 A12 A14 L16 F38 Y48 I49S11-Y40 WeakPolarHBondContact CA-O 3.33Å; A12-Y40 PolarHBondContact N-O 3.1Å; A12-Y40 WeakPolarHBondContact O-CD2 3.12Å; A12-Y40 PolarHBondContact O-N 3.21Å; A14-Y40 HydrophobicContact CB-CD2 4.32Å; A14-Y40 HydrophobicContact CB-CE2 3.68Å; L16-Y40 VanDerWaalsContact CD1-OH 3.26Å; L16-Y40 WeakPolarHBondContact CD1-OH 3.4Å; F38-Y40 HydrophobicContact CB-CE2 3.77Å; Y40-Y48 WeakPolarHBondContact CA-O 3.1Å; Y40-I49 HydrophobicContact CD1-CD1 4.37Å; Y40-I49 HydrophobicContact CD1-CG1 3.77Å; Y40-I49 HydrophobicContact CE1-CD1 3.72Å; Y40-I49 HydrophobicContact CE1-CG1 3.61Å; Y40-I49 HydrophobicContact CE1-CG2 4.34Å
41G65.1Low65.4Low25 Ų2577.5 Ų77.526%0.25838%0.383SS..EExtended strand (participates in β ladder)trans-122.9144.617500000110.9Y48G41-Y48 PolarHBondContact N-O 3Å; G41-Y48 PolarHBondContact O-N 2.93Å
42W70.7Confident65.6Low79 Ų7976.4 Ų76.430%0.29939%0.386SS..EExtended strand (participates in β ladder)trans-103.3121.7171.8-178.7-92.3000109.4K8 S45 Q46 W47K8-W42 HydrophobicContact CB-CG 4.47Å; K8-W42 HydrophobicContact CD-CZ2 4.46Å; W42-S45 WeakPolarHBondContact CH2-O 3.26Å; W42-Q46 WeakPolarHBondContact CA-O 3.22Å; W42-W47 HydrophobicContact CB-CE3 4.19Å; W42-W47 HydrophobicContact CB-CH2 4.38Å; W42-W47 HydrophobicContact CB-CZ3 4.05Å; W42-W47 HydrophobicContact CE3-CB 4.33Å; W42-W47 AromaticContact CE3-CD1 3.57Å; W42-W47 AromaticContact CE3-CD2 3.46Å; W42-W47 HydrophobicContact CE3-CD2 3.46Å; W42-W47 VanDerWaalsContact CE3-CD2 3.46Å; W42-W47 AromaticContact CE3-CE2 3.39Å; W42-W47 HydrophobicContact CE3-CE3 4.13Å; W42-W47 AromaticContact CE3-CG 3.54Å; W42-W47 HydrophobicContact CE3-CG 3.54Å; W42-W47 AromaticContact CE3-CZ2 4Å; W42-W47 HydrophobicContact CE3-CZ2 4Å; W42-W47 AromaticContact CE3-NE1 3.45Å; W42-W47 AromaticContact CZ3-CD1 3.3Å; W42-W47 HydrophobicContact CZ3-CD2 4.04Å; W42-W47 AromaticContact CZ3-CE2 3.76Å; W42-W47 AromaticContact CZ3-CG 3.73Å; W42-W47 HydrophobicContact CZ3-CG 3.73Å; W42-W47 AromaticContact CZ3-NE1 3.28Å; W42-W47 VanDerWaalsContact CZ3-NE1 3.28Å
43Y71.1Confident65.8Low170 Ų17079.2 Ų79.267%0.66741%0.406SS*.EExtended strand (participates in β ladder)trans-143.2140.4179.1-177.3-100.9000110.3S45 Q46 Y48Y43-S45 PolarHBondContact O-N 2.83Å; Y43-S45 VanDerWaalsContact O-N 3.08Å; Y43-Q46 PolarHBondContact N-O 3.35Å; Y43-Q46 PolarHBondContact O-N 2.88Å; Y43-Q46 VanDerWaalsContact O-O 3.05Å; Y43-Y48 HydrophobicContact CD1-CE2 4.17Å; Y43-Y48 WeakPolarHBondContact O-CE2 3.37Å
44N82.3Confident66.2Low128 Ų12878.8 Ų78.868%0.68440%0.401SS*.THydrogen-bonded Turntrans43.645.6179-162.834.5000115.1Q46N44-Q46 VanDerWaalsContact C-N 3.27Å; N44-Q46 PolarHBondContact O-N 3.12Å
45S81.5Confident66.4Low92 Ų9282.7 Ų82.764%0.64342%0.419SS*.THydrogen-bonded Turntrans64.421-178.6-57.50000116.1W42 Y43W42-S45 WeakPolarHBondContact CH2-O 3.26Å; Y43-S45 PolarHBondContact O-N 2.83Å; Y43-S45 VanDerWaalsContact O-N 3.08Å
46Q75.8Confident66.4Low113 Ų11384.4 Ų84.453%0.52843%0.431SS..EExtended strand (participates in β ladder)trans-131.4150176-64.4-176.2-9.400111.5W42 Y43 N44 Y48W42-Q46 WeakPolarHBondContact CA-O 3.22Å; Y43-Q46 PolarHBondContact N-O 3.35Å; Y43-Q46 PolarHBondContact O-N 2.88Å; Y43-Q46 VanDerWaalsContact O-O 3.05Å; N44-Q46 VanDerWaalsContact C-N 3.27Å; N44-Q46 PolarHBondContact O-N 3.12Å; Q46-Y48 HydrophobicContact CB-CE2 3.94Å
47W74.6Confident66.5Low125 Ų12587.3 Ų87.347%0.47345%0.451SS..EExtended strand (participates in β ladder)trans-84.1131.1169.6-75.7110.5000109.9V5 W42V5-W47 HydrophobicContact CG1-CH2 4.39Å; W42-W47 HydrophobicContact CB-CE3 4.19Å; W42-W47 HydrophobicContact CB-CH2 4.38Å; W42-W47 HydrophobicContact CB-CZ3 4.05Å; W42-W47 HydrophobicContact CE3-CB 4.33Å; W42-W47 AromaticContact CE3-CD1 3.57Å; W42-W47 AromaticContact CE3-CD2 3.46Å; W42-W47 HydrophobicContact CE3-CD2 3.46Å; W42-W47 VanDerWaalsContact CE3-CD2 3.46Å; W42-W47 AromaticContact CE3-CE2 3.39Å; W42-W47 HydrophobicContact CE3-CE3 4.13Å; W42-W47 AromaticContact CE3-CG 3.54Å; W42-W47 HydrophobicContact CE3-CG 3.54Å; W42-W47 AromaticContact CE3-CZ2 4Å; W42-W47 HydrophobicContact CE3-CZ2 4Å; W42-W47 AromaticContact CE3-NE1 3.45Å; W42-W47 AromaticContact CZ3-CD1 3.3Å; W42-W47 HydrophobicContact CZ3-CD2 4.04Å; W42-W47 AromaticContact CZ3-CE2 3.76Å; W42-W47 AromaticContact CZ3-CG 3.73Å; W42-W47 HydrophobicContact CZ3-CG 3.73Å; W42-W47 AromaticContact CZ3-NE1 3.28Å; W42-W47 VanDerWaalsContact CZ3-NE1 3.28Å
48Y66.2Low66.5Low94 Ų9487.7 Ų87.737%0.36946%0.456SS..EExtended strand (participates in β ladder)trans-114.1137.6172-67.6-92000109.4Y40 G41 Y43 Q46Y40-Y48 WeakPolarHBondContact CA-O 3.1Å; G41-Y48 PolarHBondContact N-O 3Å; G41-Y48 PolarHBondContact O-N 2.93Å; Y43-Y48 HydrophobicContact CD1-CE2 4.17Å; Y43-Y48 WeakPolarHBondContact O-CE2 3.37Å; Q46-Y48 HydrophobicContact CB-CE2 3.94Å
49I70.6Confident66.4Low99 Ų9989.6 Ų89.651%0.50847%0.47SS..EExtended strand (participates in β ladder)trans-102.1112.4172.1-54.1180000106.8F38 Y40F38-I49 HydrophobicContact CB-CG2 4.31Å; F38-I49 HydrophobicContact CD1-CG2 3.84Å; F38-I49 HydrophobicContact CG-CG2 4.49Å; Y40-I49 HydrophobicContact CD1-CD1 4.37Å; Y40-I49 HydrophobicContact CD1-CG1 3.77Å; Y40-I49 HydrophobicContact CE1-CD1 3.72Å; Y40-I49 HydrophobicContact CE1-CG1 3.61Å; Y40-I49 HydrophobicContact CE1-CG2 4.34Å
50H62.2Low65.8Low125 Ų12587.5 Ų87.558%0.57947%0.468SS*.EExtended strand (participates in β ladder)trans-87.4113.1162.8-74.9-98.6000107.6Q39 G52Q39-H50 HydrophobicContact CB-CB 4.39Å; Q39-H50 PolarHBondContact N-O 3.5Å; Q39-H50 WeakPolarHBondContact O-CB 3.38Å; Q39-H50 PolarHBondContact O-N 3.02Å; H50-G52 PolarHBondContact O-N 2.93Å
51V64Low65.3Low93 Ų9392 Ų9256%0.56449%0.489SS*.EExtended strand (participates in β ladder)trans-70.1112.2168.3-172.70000106.4Y36 F38Y36-V51 HydrophobicContact CD1-CG1 4.23Å; F38-V51 HydrophobicContact CD1-CB 4.34Å; F38-V51 HydrophobicContact CD1-CG1 4.22Å; F38-V51 HydrophobicContact CD1-CG2 4.04Å; F38-V51 HydrophobicContact CE1-CB 4.31Å; F38-V51 HydrophobicContact CE1-CG1 3.87Å; F38-V51 HydrophobicContact CE1-CG2 3.89Å
52G58.6Low64.6Low36 Ų3696 Ų9637%0.37153%0.53SS..EExtended strand (participates in β ladder)trans-78.5-155176.200000111.5T37 H50T37-G52 WeakPolarHBondContact O-CA 3.33Å; T37-G52 PolarHBondContact O-N 2.99Å; H50-G52 PolarHBondContact O-N 2.93Å
53C55.6Low64.3Low92 Ų9296.9 Ų96.962%0.62254%0.542SS*.EExtended strand (participates in β ladder)trans-70.6141.1-177-62.40000111.6T37T37-C53 PolarHBondContact N-O 2.97Å
54F63.6Low63.9Low72 Ų7293.1 Ų93.132%0.31654%0.535SS..EExtended strand (participates in β ladder)trans-88.2114.8164173.9-109.6000108.3V32 Y36 V56V32-F54 HydrophobicContact CG1-CE1 3.9Å; V32-F54 HydrophobicContact CG1-CZ 3.85Å; Y36-F54 HydrophobicContact CD1-CB 4.33Å; Y36-F54 HydrophobicContact CD1-CD2 4.1Å; Y36-F54 AromaticContact CD2-CD2 3.94Å; Y36-F54 HydrophobicContact CD2-CD2 3.94Å; Y36-F54 HydrophobicContact CD2-CE2 4.3Å; Y36-F54 HydrophobicContact CE1-CB 3.98Å; Y36-F54 AromaticContact CE1-CD2 3.6Å; Y36-F54 HydrophobicContact CE1-CD2 3.6Å; Y36-F54 HydrophobicContact CE1-CE2 4.42Å; Y36-F54 HydrophobicContact CE1-CG 4.15Å; Y36-F54 AromaticContact CE2-CD2 3.36Å; Y36-F54 HydrophobicContact CE2-CD2 3.36Å; Y36-F54 AromaticContact CE2-CE2 3.49Å; Y36-F54 HydrophobicContact CE2-CE2 3.49Å; Y36-F54 VanDerWaalsContact CE2-CE2 3.49Å; Y36-F54 HydrophobicContact CG-CD2 4.26Å; Y36-F54 AromaticContact CZ-CD2 3.18Å; Y36-F54 AromaticContact CZ-CE2 3.57Å; Y36-F54 WeakPolarHBondContact OH-CD2 3.32Å; Y36-F54 WeakPolarHBondContact OH-CE2 3.32Å; F54-V56 HydrophobicContact CD1-CG2 4.01Å; F54-V56 HydrophobicContact CE1-CG2 3.51Å; F54-V56 HydrophobicContact CZ-CG2 4.35Å
55N60.9Low62.9Low92 Ų9291.1 Ų91.149%0.49253%0.527SS..EExtended strand (participates in β ladder)trans-97.3116.8174.7-74.1-40.5000109G34 D35 V57G34-N55 CarbonylContact C-O 3.39Å; G34-N55 WeakPolarHBondContact CA-O 3.25Å; D35-N55 PolarHBondContact N-O 3.21Å; D35-N55 PolarHBondContact O-N 2.76Å; N55-V57 PolarHBondContact O-N 3.06Å
56V62.2Low61.8Low78 Ų7891.1 Ų91.147%0.47352%0.52SS..EExtended strand (participates in β ladder)trans-69.7113.5172.6177.50000108.8V32 F54 V59V32-V56 HydrophobicContact CG1-CB 4.23Å; V32-V56 HydrophobicContact CG1-CG1 3.68Å; V32-V56 HydrophobicContact CG1-CG2 3.65Å; F54-V56 HydrophobicContact CD1-CG2 4.01Å; F54-V56 HydrophobicContact CE1-CG2 3.51Å; F54-V56 HydrophobicContact CZ-CG2 4.35Å; V56-V59 HydrophobicContact CG1-CG2 3.45Å; V56-V59 VanDerWaalsContact CG1-CG2 3.45Å
57V62.1Low60.9Low89 Ų8989.7 Ų89.754%0.53952%0.52SS..EExtended strand (participates in β ladder)trans-90.3-29.6177.6-150.10000111.1L33 D35 N55L33-V57 PolarHBondContact O-N 3.08Å; D35-V57 HydrophobicContact CB-CG2 4.25Å; D35-V57 VanDerWaalsContact OD2-CG2 3.22Å; D35-V57 WeakPolarHBondContact OD2-CG2 3.45Å; N55-V57 PolarHBondContact O-N 3.06Å
58S58.4Low60Low53 Ų5387.3 Ų87.337%0.37152%0.523SS..EExtended strand (participates in β ladder)trans-157.5145-178.6161.90000111.6L33L33-S58 PolarHBondContact N-O 2.89Å; L33-S58 PolarHBondContact O-N 2.77Å; L33-S58 VanDerWaalsContact O-N 3.12Å
59V59.8Low59.6Low76 Ų7686.9 Ų86.946%0.46153%0.534SS..EExtended strand (participates in β ladder)trans-127.1109.2171.7-175.20000108.2R30 I31 V32 V56R30-V59 HydrophobicContact CB-CG1 4.06Å; R30-V59 HydrophobicContact CG-CG1 4.18Å; I31-V59 WeakPolarHBondContact O-CA 3.36Å; V32-V59 HydrophobicContact CG1-CG2 4.43Å; V32-V59 HydrophobicContact CG2-CG1 4.44Å; V32-V59 HydrophobicContact CG2-CG2 4.4Å; V56-V59 HydrophobicContact CG1-CG2 3.45Å; V56-V59 VanDerWaalsContact CG1-CG2 3.45Å
60A51.5Low58.8Low46 Ų4685.9 Ų85.938%0.3854%0.536SS..EExtended strand (participates in β ladder)trans-94.4132.4172.500000109.5R30 I31R30-A60 CarbonylContact C-O 3.57Å; R30-A60 VanDerWaalsContact CA-O 3.25Å; R30-A60 WeakPolarHBondContact CA-O 3.26Å; I31-A60 PolarHBondContact N-O 2.77Å; I31-A60 PolarHBondContact O-N 3.08Å
61K53.8Low58.5Low156 Ų15682.7 Ų82.768%0.67853%0.532SS*.EExtended strand (participates in β ladder)trans-90.2118.8171.5-161.3-177.2-179.6-1730107.9T29 R30T29-K61 CarbonylContact O-C 3.56Å; T29-K61 WeakPolarHBondContact O-CA 2.97Å; R30-K61 HydrophobicContact CG-CB 4.42Å; R30-K61 HydrophobicContact CG-CG 4.19Å
62G51.1Low58Low109 Ų10981.7 Ų81.7100%1.12453%0.53SS*.  trans-71.70168.500000112T29T29-G62 PolarHBondContact O-N 2.92Å

Retrieved 62 of 62 residues in 17.3 ms (Link to these results)