A0A077ZGI8_TRITR Loading...

EGF 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGI8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 84 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
1G61Low73.5Confident44 Ų44103.7 Ų103.745%0.45461%0.61SS.*  0113.2000000109.8Y24 C29G1-Y24 VanDerWaalsContact CA-CD1 3.43Å; G1-Y24 VanDerWaalsContact CA-CE1 3.46Å; G1-Y24 WeakPolarHBondContact O-CB 3.39Å; G1-C29 PolarHBondContact N-O 3.4Å; G1-C29 WeakPolarHBondContact O-CB 3.27Å
2G77.9Confident72.7Confident42 Ų4297.8 Ų97.843%0.43358%0.577SS.*EExtended strand (participates in β ladder)trans167.7165.4179.400000110.3S19G2-S19 WeakPolarHBondContact CA-O 3.09Å
3V82.9Confident71.8Confident103 Ų10395.8 Ų95.862%0.62459%0.591SS**EExtended strand (participates in β ladder)trans-102.7114.7176.3-177.20000108T5 C18 S19V3-T5 HydrophobicContact CG1-CG2 4.38Å; V3-C18 CarbonylContact O-C 3.4Å; V3-C18 WeakPolarHBondContact O-CA 3.12Å; V3-S19 PolarHBondContact N-O 3.09Å; V3-S19 PolarHBondContact O-N 3.08Å
4C81.5Confident71.3Confident53 Ų53103.9 Ų103.936%0.35861%0.614SS.*EExtended strand (participates in β ladder)trans-99.2122.3175.6-69.80000110.2I16 R17 C18C4-I16 HydrophobicContact CB-CD1 4.12Å; C4-I16 HydrophobicContact CB-CG1 4.28Å; C4-R17 WeakPolarHBondContact CA-O 3.02Å; C4-C18 VanDerWaalsContact CA-SG 3.59Å; C4-C18 HydrophobicContact CB-CB 4.07Å; C4-C18 WeakPolarHBondContact CB-SG 3.34Å; C4-C18 WeakPolarHBondContact SG-CB 3.13Å; C4-C18 CovalentContact SG-SG 2.03Å; C4-C18 PolarHBondContact SG-SG 3.29Å
5T82.4Confident71.4Confident83 Ų8399.9 Ų99.951%0.50960%0.597SS.*EExtended strand (participates in β ladder)trans-110.8138.7173.955.30000109.8V3 R17V3-T5 HydrophobicContact CG1-CG2 4.38Å; T5-R17 PolarHBondContact N-O 2.03Å; T5-R17 PolarHBondContact O-N 2.86Å; T5-R17 VanDerWaalsContact O-O 3.13Å; T5-R17 PolarHBondContact OG1-O 3.43Å
6R75.4Confident71.8Confident201 Ų20197.4 Ų97.476%0.75858%0.579SS**EExtended strand (participates in β ladder)trans-82.4125.4170.3-52.8-173-160.31160.6107L8R6-L8 HydrophobicContact CB-CD2 4.3Å; R6-L8 PolarHBondContact O-N 3.4Å
7D72.3Confident72.3Confident56 Ų56102.8 Ų102.830%0.29959%0.587SS.*  trans-75109.1170-162.1-89.2000107.3R9 S12 A15D7-R9 VanDerWaalsContact C-N 3.3Å; D7-R9 WeakPolarHBondContact OD1-CB 3.41Å; D7-R9 PolarHBondContact OD1-N 3.29Å; D7-S12 VanDerWaalsContact OD1-CB 3.31Å; D7-S12 WeakPolarHBondContact OD1-CB 3.22Å; D7-S12 PolarHBondContact OD1-OG 2.98Å; D7-A15 HydrophobicContact CB-CB 4.14Å; D7-A15 WeakPolarHBondContact CB-O 3.27Å; D7-A15 PolarHBondContact N-O 2.83Å
8L68.1Low72.7Confident154 Ų15498.7 Ų98.781%0.80657%0.565SS**  trans-92.416.9-177.9-62.8176.9000112.2R6R6-L8 HydrophobicContact CB-CD2 4.3Å; R6-L8 PolarHBondContact O-N 3.4Å
9R72.2Confident73.2Confident182 Ų18297.9 Ų97.969%0.68757%0.566SS**  trans-70.3144.7-178.1-66.7-138.7-175.8105.1-6.1111.3D7 G11 S12D7-R9 VanDerWaalsContact C-N 3.3Å; D7-R9 WeakPolarHBondContact OD1-CB 3.41Å; D7-R9 PolarHBondContact OD1-N 3.29Å; R9-G11 PolarHBondContact O-N 3.07Å; R9-G11 VanDerWaalsContact O-N 3.15Å; R9-S12 WeakPolarHBondContact CB-OG 3.5Å; R9-S12 PolarHBondContact N-OG 2.89Å; R9-S12 PolarHBondContact O-N 3.47Å; R9-S12 PolarHBondContact O-OG 2.65Å
10P67.8Low73.3Confident137 Ų13795.7 Ų95.789%0.8956%0.556SS**THydrogen-bonded Turntrans-58.5120.7169.5-15.227.3000109
11G67.4Low73.5Confident86 Ų8693.7 Ų93.789%0.88755%0.551SS**THydrogen-bonded Turntrans103.2-20.2-179.100000115.5R9 G13R9-G11 PolarHBondContact O-N 3.07Å; R9-G11 VanDerWaalsContact O-N 3.15Å; G11-G13 VanDerWaalsContact C-N 3.34Å; G11-G13 PolarHBondContact O-N 2.68Å
12S63.2Low73.9Confident32 Ų32101.3 Ų101.322%0.22457%0.571CS.*  trans-92.964.9175.343.30000110.8D7 R9 K14 A15D7-S12 VanDerWaalsContact OD1-CB 3.31Å; D7-S12 WeakPolarHBondContact OD1-CB 3.22Å; D7-S12 PolarHBondContact OD1-OG 2.98Å; R9-S12 WeakPolarHBondContact CB-OG 3.5Å; R9-S12 PolarHBondContact N-OG 2.89Å; R9-S12 PolarHBondContact O-N 3.47Å; R9-S12 PolarHBondContact O-OG 2.65Å; S12-K14 PolarHBondContact O-N 3.11Å; S12-A15 PolarHBondContact O-N 3.31Å; S12-A15 VanDerWaalsContact O-N 3.14Å
13G60.9Low73.3Confident73 Ų73103.4 Ų103.475%0.75357%0.57SS**THydrogen-bonded Turntrans-44.4108.4-178.800000112.7G11 A15G11-G13 VanDerWaalsContact C-N 3.34Å; G11-G13 PolarHBondContact O-N 2.68Å; G13-A15 PolarHBondContact O-N 2.8Å
14K65.6Low72.8Confident209 Ų209102.5 Ų102.591%0.90956%0.555SS**THydrogen-bonded Turntrans43.834.3179.3-77-176.4175.4-175.20114.5S12 I16S12-K14 PolarHBondContact O-N 3.11Å; K14-I16 PolarHBondContact O-N 2.86Å
15A72.8Confident72.2Confident44 Ų44103.9 Ų103.936%0.36456%0.556SS.*  trans-70.3122.5175.400000108.6D7 S12 G13D7-A15 HydrophobicContact CB-CB 4.14Å; D7-A15 WeakPolarHBondContact CB-O 3.27Å; D7-A15 PolarHBondContact N-O 2.83Å; S12-A15 PolarHBondContact O-N 3.31Å; S12-A15 VanDerWaalsContact O-N 3.14Å; G13-A15 PolarHBondContact O-N 2.8Å
16I77.7Confident71.5Confident60 Ų60101.4 Ų101.431%0.30855%0.547SS..EExtended strand (participates in β ladder)trans-111.3124.1176.2-172.7163.2000108.3C4 K14 Y28C4-I16 HydrophobicContact CB-CD1 4.12Å; C4-I16 HydrophobicContact CB-CG1 4.28Å; K14-I16 PolarHBondContact O-N 2.86Å; I16-Y28 HydrophobicContact CD1-CD1 4.12Å; I16-Y28 HydrophobicContact CD1-CE1 4.11Å; I16-Y28 HydrophobicContact CG2-CD1 4.25Å; I16-Y28 HydrophobicContact CG2-CE1 3.55Å
17R79.2Confident71.2Confident189 Ų18998.7 Ų98.771%0.71354%0.54SS*.EExtended strand (participates in β ladder)trans-110.2131.9172.9-94.717970.4121.8-3.6108.3C4 T5C4-R17 WeakPolarHBondContact CA-O 3.02Å; T5-R17 PolarHBondContact N-O 2.03Å; T5-R17 PolarHBondContact O-N 2.86Å; T5-R17 VanDerWaalsContact O-O 3.13Å; T5-R17 PolarHBondContact OG1-O 3.43Å
18C80.6Confident71.2Confident29 Ų29101.5 Ų101.520%0.19655%0.547CS..EExtended strand (participates in β ladder)trans-116.2132.3175.6-57.70000110.2V3 C4 K27 Y28 C29V3-C18 CarbonylContact O-C 3.4Å; V3-C18 WeakPolarHBondContact O-CA 3.12Å; C4-C18 VanDerWaalsContact CA-SG 3.59Å; C4-C18 HydrophobicContact CB-CB 4.07Å; C4-C18 WeakPolarHBondContact CB-SG 3.34Å; C4-C18 WeakPolarHBondContact SG-CB 3.13Å; C4-C18 CovalentContact SG-SG 2.03Å; C4-C18 PolarHBondContact SG-SG 3.29Å; C18-K27 PolarHBondContact SG-O 2.76Å; C18-Y28 VanDerWaalsContact SG-CA 3.58Å; C18-C29 WeakPolarHBondContact CB-SG 3.42Å
19S81.7Confident71.5Confident84 Ų8494.1 Ų94.159%0.58751%0.509SS*.EExtended strand (participates in β ladder)trans-98.1107.2171.5-680000108.2G2 V3G2-S19 WeakPolarHBondContact CA-O 3.09Å; V3-S19 PolarHBondContact N-O 3.09Å; V3-S19 PolarHBondContact O-N 3.08Å
20C75.7Confident71.2Confident53 Ų5390 Ų9036%0.35850%0.497SS..EExtended strand (participates in β ladder)trans-85143.9-175.9-49.60000111.6Y24 C29C20-Y24 WeakPolarHBondContact CB-O 2.95Å; C20-C29 WeakPolarHBondContact CA-SG 3.46Å; C20-C29 HydrophobicContact CB-CB 3.62Å; C20-C29 WeakPolarHBondContact CB-SG 3.26Å; C20-C29 PolarHBondContact N-SG 3.29Å; C20-C29 WeakPolarHBondContact SG-CA 3.32Å; C20-C29 WeakPolarHBondContact SG-CB 3.23Å; C20-C29 CovalentContact SG-SG 2.03Å; C20-C29 PolarHBondContact SG-SG 2.73Å
21A78.2Confident71Confident54 Ų5484.4 Ų84.445%0.44646%0.46SS..  trans-68.7161.9170.500000110.6Q23 Y24A21-Q23 PolarHBondContact O-N 3.29Å; A21-Y24 HydrophobicContact CB-CD2 4Å; A21-Y24 PolarHBondContact O-N 2.96Å
22K68.7Low70.7Confident204 Ų20482.6 Ų82.689%0.88743%0.434SS*.THydrogen-bonded Turntrans-50.9-21.5-174.2-172.1175.1179.9179.80115.2
23Q64.9Low70.4Confident85 Ų8586.1 Ų86.140%0.39745%0.445SS..THydrogen-bonded Turntrans-114.216.8179.3-73-178-30.300113.2A21 S32 K33 E35A21-Q23 PolarHBondContact O-N 3.29Å; Q23-S32 CarbonylContact O-C 3.23Å; Q23-S32 WeakPolarHBondContact O-CA 3.49Å; Q23-K33 PolarHBondContact O-N 3.11Å; Q23-E35 PolarHBondContact NE2-OE1 3.11Å
24Y71.5Confident70Confident84 Ų8484.8 Ų84.833%0.32942%0.424SS..EExtended strand (participates in β ladder)trans-130.8148.2179.8-70.6-94.8000112.7G1 C20 A21 C29 L31G1-Y24 VanDerWaalsContact CA-CD1 3.43Å; G1-Y24 VanDerWaalsContact CA-CE1 3.46Å; G1-Y24 WeakPolarHBondContact O-CB 3.39Å; C20-Y24 WeakPolarHBondContact CB-O 2.95Å; A21-Y24 HydrophobicContact CB-CD2 4Å; A21-Y24 PolarHBondContact O-N 2.96Å; Y24-C29 WeakPolarHBondContact CD1-O 3.49Å; Y24-L31 CarbonylContact C-O 3.59Å; Y24-L31 WeakPolarHBondContact CA-O 3.33Å; Y24-L31 WeakPolarHBondContact CB-O 3.02Å; Y24-L31 VanDerWaalsContact CD1-O 3.28Å; Y24-L31 WeakPolarHBondContact CD1-O 3.42Å
25F70.1Confident69.4Low82 Ų8280.4 Ų80.436%0.3641%0.407SS..EExtended strand (participates in β ladder)trans-148.5173.1-169.7-55.7-84.5000111.9C29 Q30 L31 K33F25-C29 CarbonylContact O-C 3.6Å; F25-C29 VanDerWaalsContact O-C 3.23Å; F25-C29 WeakPolarHBondContact O-CA 2.96Å; F25-Q30 PolarHBondContact O-N 2.02Å; F25-L31 HydrophobicContact CB-CB 4.17Å; F25-L31 HydrophobicContact CB-CD1 4.33Å; F25-L31 PolarHBondContact N-O 3.45Å; F25-L31 VanDerWaalsContact O-CB 3.28Å; F25-L31 WeakPolarHBondContact O-CB 2.9Å; F25-L31 WeakPolarHBondContact O-CG 3.37Å; F25-L31 PolarHBondContact O-N 2.73Å; F25-K33 HydrophobicContact CD2-CB 4.2Å; F25-K33 HydrophobicContact CE2-CB 3.62Å; F25-K33 HydrophobicContact CE2-CD 4.45Å
26G67.5Low68.4Low31 Ų3182.5 Ų82.532%0.3242%0.415SS..SBendtrans93.9166.5-177.600000112.9Y28 C29G26-Y28 PolarHBondContact O-N 3.39Å; G26-C29 PolarHBondContact O-N 2.97Å
27K68.4Low67.2Low145 Ų14583.2 Ų83.263%0.6342%0.423SS*.THydrogen-bonded Turntrans-54.2-28.9-175.1-175.5175.9-179.7-178.90113.6C18C18-K27 PolarHBondContact SG-O 2.76Å
28Y73.6Confident66.2Low114 Ų11475.1 Ų75.145%0.44739%0.394SS..THydrogen-bonded Turntrans-122.422.7176.9-39.3-90.9000113.5I16 C18 G26 Q30I16-Y28 HydrophobicContact CD1-CD1 4.12Å; I16-Y28 HydrophobicContact CD1-CE1 4.11Å; I16-Y28 HydrophobicContact CG2-CD1 4.25Å; I16-Y28 HydrophobicContact CG2-CE1 3.55Å; C18-Y28 VanDerWaalsContact SG-CA 3.58Å; G26-Y28 PolarHBondContact O-N 3.39Å; Y28-Q30 PolarHBondContact O-N 2.93Å
29C74.3Confident65.6Low0 Ų075.9 Ų75.90%040%0.403CS..SBendtrans5428.9-178.3-45.60000113.9G1 C18 C20 Y24 F25 G26G1-C29 PolarHBondContact N-O 3.4Å; G1-C29 WeakPolarHBondContact O-CB 3.27Å; C18-C29 WeakPolarHBondContact CB-SG 3.42Å; C20-C29 WeakPolarHBondContact CA-SG 3.46Å; C20-C29 HydrophobicContact CB-CB 3.62Å; C20-C29 WeakPolarHBondContact CB-SG 3.26Å; C20-C29 PolarHBondContact N-SG 3.29Å; C20-C29 WeakPolarHBondContact SG-CA 3.32Å; C20-C29 WeakPolarHBondContact SG-CB 3.23Å; C20-C29 CovalentContact SG-SG 2.03Å; C20-C29 PolarHBondContact SG-SG 2.73Å; Y24-C29 WeakPolarHBondContact CD1-O 3.49Å; F25-C29 CarbonylContact O-C 3.6Å; F25-C29 VanDerWaalsContact O-C 3.23Å; F25-C29 WeakPolarHBondContact O-CA 2.96Å; G26-C29 PolarHBondContact O-N 2.97Å
30Q65.3Low65.3Low94 Ų9473 Ų7344%0.43938%0.382SS..  trans-76.8-27.5-177.861.7-83.1179.200112F25 Y28F25-Q30 PolarHBondContact O-N 2.02Å; Y28-Q30 PolarHBondContact O-N 2.93Å
31L63.8Low65.4Low21 Ų2172.5 Ų72.511%0.1138%0.375CS..EExtended strand (participates in β ladder)trans-78.1132.6179.1-48.7174.2000107.5Y24 F25 Q41Y24-L31 CarbonylContact C-O 3.59Å; Y24-L31 WeakPolarHBondContact CA-O 3.33Å; Y24-L31 WeakPolarHBondContact CB-O 3.02Å; Y24-L31 VanDerWaalsContact CD1-O 3.28Å; Y24-L31 WeakPolarHBondContact CD1-O 3.42Å; F25-L31 HydrophobicContact CB-CB 4.17Å; F25-L31 HydrophobicContact CB-CD1 4.33Å; F25-L31 PolarHBondContact N-O 3.45Å; F25-L31 VanDerWaalsContact O-CB 3.28Å; F25-L31 WeakPolarHBondContact O-CB 2.9Å; F25-L31 WeakPolarHBondContact O-CG 3.37Å; F25-L31 PolarHBondContact O-N 2.73Å; L31-Q41 HydrophobicContact CD1-CG 3.86Å; L31-Q41 HydrophobicContact CD2-CG 3.68Å; L31-Q41 HydrophobicContact CG-CG 4.39Å
32S60.4Low65.3Low47 Ų4773.3 Ų73.333%0.32937%0.372SS..EExtended strand (participates in β ladder)trans-103.3131.9163.648.30000108.9Q23 S34Q23-S32 CarbonylContact O-C 3.23Å; Q23-S32 WeakPolarHBondContact O-CA 3.49Å; S32-S34 PolarHBondContact O-N 3.15Å
33K58.1Low65.5Low107 Ų10766.8 Ų66.847%0.46536%0.362SS..EExtended strand (participates in β ladder)trans-68.887.1149.2-178.4179.1-177.6-178.60105.4Q23 F25 E35Q23-K33 PolarHBondContact O-N 3.11Å; F25-K33 HydrophobicContact CD2-CB 4.2Å; F25-K33 HydrophobicContact CE2-CB 3.62Å; F25-K33 HydrophobicContact CE2-CD 4.45Å; K33-E35 PolarHBondContact O-N 2.86Å
34S52.3Low66.2Low45 Ų4563.4 Ų63.432%0.31535%0.35SS..EExtended strand (participates in β ladder)trans-54135.9153.51720000105.8S32 T36 T37S32-S34 PolarHBondContact O-N 3.15Å; S34-T36 PolarHBondContact O-N 2.96Å; S34-T36 PolarHBondContact OG-N 3.44Å; S34-T36 PolarHBondContact OG-OG1 3.02Å; S34-T37 WeakPolarHBondContact CB-OG1 3.49Å; S34-T37 PolarHBondContact O-N 3.37Å
35E53.1Low66.4Low116 Ų11663.7 Ų63.754%0.54236%0.361SS..THydrogen-bonded Turntrans-51.8-14172.1-74-69.6111.200112.1Q23 K33Q23-E35 PolarHBondContact NE2-OE1 3.11Å; K33-E35 PolarHBondContact O-N 2.86Å
36T50.9Low66.7Low89 Ų8962.6 Ų62.655%0.54636%0.363SS..THydrogen-bonded Turntrans-117.9-11.718046.10000116.7S34S34-T36 PolarHBondContact O-N 2.96Å; S34-T36 PolarHBondContact OG-N 3.44Å; S34-T36 PolarHBondContact OG-OG1 3.02Å
37T52.1Low67Low75 Ų7567.2 Ų67.246%0.4638%0.376SS..EExtended strand (participates in β ladder)trans-150.1116.2-177.755.10000113.9S34 A39S34-T37 WeakPolarHBondContact CB-OG1 3.49Å; S34-T37 PolarHBondContact O-N 3.37Å; T37-A39 PolarHBondContact O-N 3.17Å
38P57.8Low66.9Low18 Ų1862.9 Ų62.912%0.11737%0.372CS..EExtended strand (participates in β ladder)trans-70.9110.7162.927.5-31.1000108.2C40 C46 S53 F65P38-C40 PolarHBondContact O-N 3.32Å; P38-C46 PolarHBondContact O-SG 3.4Å; P38-S53 WeakPolarHBondContact CD-OG 3.34Å; P38-S53 WeakPolarHBondContact CG-OG 3.28Å; P38-F65 HydrophobicContact CB-CD1 3.65Å; P38-F65 HydrophobicContact CB-CE1 3.22Å; P38-F65 HydrophobicContact CB-CZ 4.27Å
39A68.1Low66.2Low45 Ų4568.8 Ų68.837%0.37239%0.394SS..  trans-70.196.5174.200000109.2T37T37-A39 PolarHBondContact O-N 3.17Å
40C75.8Confident65.5Low23 Ų2369.9 Ų69.916%0.15541%0.405CS..  trans-59.4138.3174.4-49.30000110.3P38 G44 C46 C55P38-C40 PolarHBondContact O-N 3.32Å; C40-G44 WeakPolarHBondContact CB-O 3.44Å; C40-C46 PolarHBondContact SG-SG 2.96Å; C40-C55 WeakPolarHBondContact CA-SG 3.49Å; C40-C55 HydrophobicContact CB-CB 3.68Å; C40-C55 WeakPolarHBondContact CB-SG 3.33Å; C40-C55 WeakPolarHBondContact SG-CA 3.4Å; C40-C55 WeakPolarHBondContact SG-CB 2.84Å; C40-C55 CovalentContact SG-SG 2.02Å; C40-C55 PolarHBondContact SG-SG 2.68Å
41Q77.3Confident65.3Low44 Ų4474.8 Ų74.821%0.20643%0.425CS..SBendtrans-93.1171.8178.5-60.1-158-96.300111.8L31 G43 G44 F65 C66 E67L31-Q41 HydrophobicContact CD1-CG 3.86Å; L31-Q41 HydrophobicContact CD2-CG 3.68Å; L31-Q41 HydrophobicContact CG-CG 4.39Å; Q41-G43 PolarHBondContact O-N 3.02Å; Q41-G43 VanDerWaalsContact O-N 3.11Å; Q41-G44 PolarHBondContact O-N 3.25Å; Q41-F65 WeakPolarHBondContact CA-O 3.17Å; Q41-F65 WeakPolarHBondContact CB-O 3.05Å; Q41-F65 PolarHBondContact N-O 3.13Å; Q41-C66 WeakPolarHBondContact O-CB 3.4Å; Q41-E67 HydrophobicContact CG-CB 4.45Å
42N77.7Confident65.4Low71 Ų7180.5 Ų80.538%0.3846%0.456SS..THydrogen-bonded Turntrans53.834171.2-61.1-47.9000114.4G44 P58 Y61 C66N42-G44 VanDerWaalsContact C-N 3.34Å; N42-P58 WeakPolarHBondContact O-CG 3.33Å; N42-Y61 HydrophobicContact CB-CD1 3.35Å; N42-Y61 HydrophobicContact CB-CD2 4.08Å; N42-Y61 HydrophobicContact CB-CE1 3.37Å; N42-Y61 HydrophobicContact CB-CE2 4.08Å; N42-Y61 HydrophobicContact CB-CG 3.71Å; N42-Y61 VanDerWaalsContact CG-CD1 3.41Å; N42-Y61 VanDerWaalsContact ND2-CD1 3.32Å; N42-Y61 WeakPolarHBondContact ND2-CD1 3.2Å; N42-Y61 WeakPolarHBondContact ND2-CE1 3.01Å; N42-C66 PolarHBondContact ND2-O 2.82Å
43G72.6Confident65.8Low66 Ų6679.2 Ų79.268%0.6845%0.447SS*.THydrogen-bonded Turntrans81.211.3-177.800000114.5Q41Q41-G43 PolarHBondContact O-N 3.02Å; Q41-G43 VanDerWaalsContact O-N 3.11Å
44G80Confident66.5Low15 Ų1581.6 Ų81.616%0.15546%0.457CS..  trans-61.3142.7174.600000112.8C40 Q41 N42 I56C40-G44 WeakPolarHBondContact CB-O 3.44Å; Q41-G44 PolarHBondContact O-N 3.25Å; N42-G44 VanDerWaalsContact C-N 3.34Å; G44-I56 CarbonylContact C-O 3.47Å; G44-I56 WeakPolarHBondContact CA-O 3.05Å
45T75.7Confident67.8Low90 Ų9080.5 Ų80.555%0.55245%0.449SS*.EExtended strand (participates in β ladder)trans-100.9127.7178-60.80000110.2Q47 I56T45-Q47 PolarHBondContact O-N 2.71Å; T45-I56 PolarHBondContact N-O 3.02Å; T45-I56 PolarHBondContact O-N 2.82Å
46C75.3Confident69.1Low59 Ų5978.8 Ų78.840%0.39944%0.443SS..EExtended strand (participates in β ladder)trans-73.5114.3174.9-57.40000109.6P38 C40P38-C46 PolarHBondContact O-SG 3.4Å; C40-C46 PolarHBondContact SG-SG 2.96Å
47Q73.3Confident70.7Confident127 Ų12776.4 Ų76.459%0.59343%0.43SS*.EExtended strand (participates in β ladder)trans-104.9123.8171.9-168.8177.765.200110.4T45 S53 K54 I56T45-Q47 PolarHBondContact O-N 2.71Å; Q47-S53 CarbonylContact O-C 3.48Å; Q47-S53 WeakPolarHBondContact O-CA 3.21Å; Q47-K54 PolarHBondContact N-O 2.76Å; Q47-K54 PolarHBondContact O-N 2.95Å; Q47-I56 HydrophobicContact CB-CD1 3.8Å; Q47-I56 HydrophobicContact CB-CG1 4.01Å; Q47-I56 HydrophobicContact CG-CD1 4.28Å
48G67Low72.2Confident54 Ų5475.2 Ų75.256%0.55742%0.423SS*.SBendtrans98.7177.3-179.700000113.9
49R59.5Low73.4Confident239 Ų23983.6 Ų83.690%0.90246%0.46SS*.SBendtrans-127.9144.9-179.9-79.6-179.6172.3178.9-2.3111.2
50G59.5Low74.1Confident23 Ų2382.9 Ų82.924%0.23746%0.457CS..G310 helixtrans70.7-144.6173.900000113.4N52 S53G50-N52 PolarHBondContact O-N 3.19Å; G50-N52 VanDerWaalsContact O-N 3.13Å; G50-S53 WeakPolarHBondContact O-CB 3.18Å; G50-S53 PolarHBondContact O-N 3.05Å; G50-S53 VanDerWaalsContact O-N 3.15Å; G50-S53 PolarHBondContact O-OG 2.96Å
51K61.9Low74.6Confident196 Ų19686 Ų8685%0.85247%0.467SS*.G310 helixtrans-61.2-23.9-171.3-63.2-176.1-172.5-171.30114.7
52N66Low74.8Confident141 Ų14187.4 Ų87.475%0.75448%0.475SS*.G310 helixtrans-103.310.2-177.2-64.7-31.7000113.4G50G50-N52 PolarHBondContact O-N 3.19Å; G50-N52 VanDerWaalsContact O-N 3.13Å
53S67.2Low74.9Confident21 Ų2185.6 Ų85.615%0.14747%0.473CS..  trans-65.4135.1172.950.20000110.2P38 Q47 G50P38-S53 WeakPolarHBondContact CD-OG 3.34Å; P38-S53 WeakPolarHBondContact CG-OG 3.28Å; Q47-S53 CarbonylContact O-C 3.48Å; Q47-S53 WeakPolarHBondContact O-CA 3.21Å; G50-S53 WeakPolarHBondContact O-CB 3.18Å; G50-S53 PolarHBondContact O-N 3.05Å; G50-S53 VanDerWaalsContact O-N 3.15Å; G50-S53 PolarHBondContact O-OG 2.96Å
54K73.8Confident75Confident157 Ų15787 Ų8768%0.68347%0.472SS*.EExtended strand (participates in β ladder)trans-122.3150.8179.8-65.6-176.8-177.9-176.70109.3Q47Q47-K54 PolarHBondContact N-O 2.76Å; Q47-K54 PolarHBondContact O-N 2.95Å
55C78.5Confident74.8Confident21 Ų2188.5 Ų88.514%0.14248%0.475CS..EExtended strand (participates in β ladder)trans-91125.9173-69.40000110.6C40 S64C40-C55 WeakPolarHBondContact CA-SG 3.49Å; C40-C55 HydrophobicContact CB-CB 3.68Å; C40-C55 WeakPolarHBondContact CB-SG 3.33Å; C40-C55 WeakPolarHBondContact SG-CA 3.4Å; C40-C55 WeakPolarHBondContact SG-CB 2.84Å; C40-C55 CovalentContact SG-SG 2.02Å; C40-C55 PolarHBondContact SG-SG 2.68Å; C55-S64 WeakPolarHBondContact CB-O 3.46Å; C55-S64 PolarHBondContact SG-O 2.03Å
56I82.2Confident75.1Confident81 Ų8184.2 Ų84.242%0.41545%0.448SS..EExtended strand (participates in β ladder)trans-88.1116166.4-57.4178.2000106.9G44 T45 Q47G44-I56 CarbonylContact C-O 3.47Å; G44-I56 WeakPolarHBondContact CA-O 3.05Å; T45-I56 PolarHBondContact N-O 3.02Å; T45-I56 PolarHBondContact O-N 2.82Å; Q47-I56 HydrophobicContact CB-CD1 3.8Å; Q47-I56 HydrophobicContact CB-CG1 4.01Å; Q47-I56 HydrophobicContact CG-CD1 4.28Å
57C84Confident75.2Confident39 Ų3984.7 Ų84.726%0.26445%0.445SS..PPolyproline II helixtrans-90.1138.1-177.2-52.80000111.3Y61 C66C57-Y61 VanDerWaalsContact CB-O 3.23Å; C57-Y61 WeakPolarHBondContact CB-O 3.28Å; C57-C66 WeakPolarHBondContact CA-SG 3.38Å; C57-C66 HydrophobicContact CB-CB 3.58Å; C57-C66 WeakPolarHBondContact CB-SG 3.49Å; C57-C66 PolarHBondContact N-SG 2.79Å; C57-C66 VanDerWaalsContact N-SG 3.43Å; C57-C66 WeakPolarHBondContact SG-CA 3.16Å; C57-C66 WeakPolarHBondContact SG-CB 3Å; C57-C66 CovalentContact SG-SG 2.03Å; C57-C66 PolarHBondContact SG-SG 2.97Å
58P82.3Confident75.5Confident49 Ų4984.6 Ų84.632%0.31844%0.442SS..PPolyproline II helixtrans-66.7163.2169.524.6-26.2000110.6N42 G60 Y61N42-P58 WeakPolarHBondContact O-CG 3.33Å; P58-G60 PolarHBondContact O-N 3.42Å; P58-Y61 HydrophobicContact CG-CD2 3.81Å; P58-Y61 HydrophobicContact CG-CE2 4.45Å; P58-Y61 PolarHBondContact O-N 3.24Å; P58-Y61 VanDerWaalsContact O-N 3.07Å
59E83Confident76Confident194 Ų19484.4 Ų84.491%0.90744%0.44SS*.THydrogen-bonded Turntrans-54.5139.7179.1-70.4-163.4100.800111.7Y61E59-Y61 VanDerWaalsContact C-N 3.3Å
60G83.5Confident76.5Confident30 Ų3074.4 Ų74.431%0.30941%0.405SS..THydrogen-bonded Turntrans77.111.8-175.200000114.3P58 G69 N70P58-G60 PolarHBondContact O-N 3.42Å; G60-G69 CarbonylContact O-C 3.35Å; G60-G69 VanDerWaalsContact O-CA 3.27Å; G60-G69 WeakPolarHBondContact O-CA 3.46Å; G60-N70 WeakPolarHBondContact O-CA 3.07Å; G60-N70 PolarHBondContact O-N 2.92Å
61Y85.8Confident76.6Confident90 Ų9078.6 Ų78.635%0.35343%0.43SS..EExtended strand (participates in β ladder)trans-131.6144.3171.7-62.6-85000112.9N42 C57 P58 E59 K68N42-Y61 HydrophobicContact CB-CD1 3.35Å; N42-Y61 HydrophobicContact CB-CD2 4.08Å; N42-Y61 HydrophobicContact CB-CE1 3.37Å; N42-Y61 HydrophobicContact CB-CE2 4.08Å; N42-Y61 HydrophobicContact CB-CG 3.71Å; N42-Y61 VanDerWaalsContact CG-CD1 3.41Å; N42-Y61 VanDerWaalsContact ND2-CD1 3.32Å; N42-Y61 WeakPolarHBondContact ND2-CD1 3.2Å; N42-Y61 WeakPolarHBondContact ND2-CE1 3.01Å; C57-Y61 VanDerWaalsContact CB-O 3.23Å; C57-Y61 WeakPolarHBondContact CB-O 3.28Å; P58-Y61 HydrophobicContact CG-CD2 3.81Å; P58-Y61 HydrophobicContact CG-CE2 4.45Å; P58-Y61 PolarHBondContact O-N 3.24Å; P58-Y61 VanDerWaalsContact O-N 3.07Å; E59-Y61 VanDerWaalsContact C-N 3.3Å; Y61-K68 CarbonylContact C-O 3.38Å; Y61-K68 VanDerWaalsContact CA-O 3.26Å; Y61-K68 WeakPolarHBondContact CA-O 3.45Å
62I83.1Confident76.4Confident72 Ų7277.7 Ų77.737%0.36943%0.426SS..EExtended strand (participates in β ladder)trans-142.3168.2-178.656.9171.2000110.8C66 E67 K68 N70I62-C66 CarbonylContact O-C 3.32Å; I62-C66 WeakPolarHBondContact O-CA 2.96Å; I62-E67 PolarHBondContact O-N 2.92Å; I62-K68 HydrophobicContact CG1-CB 3.94Å; I62-K68 PolarHBondContact N-O 3.14Å; I62-K68 WeakPolarHBondContact O-CB 3.34Å; I62-K68 PolarHBondContact O-N 3.21Å; I62-K68 VanDerWaalsContact O-O 3.13Å; I62-N70 HydrophobicContact CB-CB 4.42Å; I62-N70 HydrophobicContact CD1-CB 4.23Å; I62-N70 HydrophobicContact CG1-CB 4.02Å; I62-N70 HydrophobicContact CG2-CB 3.77Å
63G79.8Confident75.9Confident33 Ų3377 Ų7734%0.3442%0.419SS..SBendtrans111.3163.4-179.100000112F65 C66 E67G63-F65 PolarHBondContact O-N 3.31Å; G63-F65 VanDerWaalsContact O-N 3.11Å; G63-C66 PolarHBondContact O-N 2.73Å; G63-E67 WeakPolarHBondContact CA-OE2 3.38Å
64S73.7Confident75.2Confident95 Ų9581.3 Ų81.366%0.66445%0.449SS*.THydrogen-bonded Turntrans-61.4-22.9-177.4-57.50000112.8C55 E67C55-S64 WeakPolarHBondContact CB-O 3.46Å; C55-S64 PolarHBondContact SG-O 2.03Å; S64-E67 PolarHBondContact N-OE2 2.8Å
65F75.8Confident74.3Confident48 Ų4880.5 Ų80.521%0.21145%0.452CS..THydrogen-bonded Turntrans-122.920.8175.9-55.9-92.9000111.2P38 Q41 G63 E67P38-F65 HydrophobicContact CB-CD1 3.65Å; P38-F65 HydrophobicContact CB-CE1 3.22Å; P38-F65 HydrophobicContact CB-CZ 4.27Å; Q41-F65 WeakPolarHBondContact CA-O 3.17Å; Q41-F65 WeakPolarHBondContact CB-O 3.05Å; Q41-F65 PolarHBondContact N-O 3.13Å; G63-F65 PolarHBondContact O-N 3.31Å; G63-F65 VanDerWaalsContact O-N 3.11Å; F65-E67 WeakPolarHBondContact CA-OE2 3.01Å; F65-E67 PolarHBondContact N-OE2 2.03Å; F65-E67 PolarHBondContact O-N 3.48Å; F65-E67 VanDerWaalsContact O-N 3.11Å
66C82.9Confident73.1Confident0 Ų087 Ų870%048%0.484CS..SBendtrans56.328-176.4-45.30000112.9Q41 N42 C57 I62 G63 K68Q41-C66 WeakPolarHBondContact O-CB 3.4Å; N42-C66 PolarHBondContact ND2-O 2.82Å; C57-C66 WeakPolarHBondContact CA-SG 3.38Å; C57-C66 HydrophobicContact CB-CB 3.58Å; C57-C66 WeakPolarHBondContact CB-SG 3.49Å; C57-C66 PolarHBondContact N-SG 2.79Å; C57-C66 VanDerWaalsContact N-SG 3.43Å; C57-C66 WeakPolarHBondContact SG-CA 3.16Å; C57-C66 WeakPolarHBondContact SG-CB 3Å; C57-C66 CovalentContact SG-SG 2.03Å; C57-C66 PolarHBondContact SG-SG 2.97Å; I62-C66 CarbonylContact O-C 3.32Å; I62-C66 WeakPolarHBondContact O-CA 2.96Å; G63-C66 PolarHBondContact O-N 2.73Å; C66-K68 VanDerWaalsContact C-N 3.31Å; C66-K68 PolarHBondContact O-N 2.96Å
67E77.2Confident71.7Confident68 Ų6887.9 Ų87.932%0.31850%0.498SS..  trans-78-16-170.273.1-71.6172.400113.7Q41 I62 G63 S64 F65Q41-E67 HydrophobicContact CG-CB 4.45Å; I62-E67 PolarHBondContact O-N 2.92Å; G63-E67 WeakPolarHBondContact CA-OE2 3.38Å; S64-E67 PolarHBondContact N-OE2 2.8Å; F65-E67 WeakPolarHBondContact CA-OE2 3.01Å; F65-E67 PolarHBondContact N-OE2 2.03Å; F65-E67 PolarHBondContact O-N 3.48Å; F65-E67 VanDerWaalsContact O-N 3.11Å
68K79.6Confident70.3Confident126 Ų12693.7 Ų93.755%0.54852%0.521SS..EExtended strand (participates in β ladder)trans-108.7133.2-177.5-57.7178.1-173.6175.40109.6Y61 I62 C66 N70Y61-K68 CarbonylContact C-O 3.38Å; Y61-K68 VanDerWaalsContact CA-O 3.26Å; Y61-K68 WeakPolarHBondContact CA-O 3.45Å; I62-K68 HydrophobicContact CG1-CB 3.94Å; I62-K68 PolarHBondContact N-O 3.14Å; I62-K68 WeakPolarHBondContact O-CB 3.34Å; I62-K68 PolarHBondContact O-N 3.21Å; I62-K68 VanDerWaalsContact O-O 3.13Å; C66-K68 VanDerWaalsContact C-N 3.31Å; C66-K68 PolarHBondContact O-N 2.96Å; K68-N70 PolarHBondContact O-N 2.85Å
69G76.9Confident68.9Low50 Ų5096.1 Ų96.152%0.51554%0.537SS..EExtended strand (participates in β ladder)trans-71121.2167.400000110G60 S71G60-G69 CarbonylContact O-C 3.35Å; G60-G69 VanDerWaalsContact O-CA 3.27Å; G60-G69 WeakPolarHBondContact O-CA 3.46Å; G69-S71 PolarHBondContact O-N 3.41Å
70N70.9Confident67.3Low28 Ų2892.5 Ų92.515%0.1553%0.53CS..  trans-76.571.2164.9-15610.9000110.1G60 I62 K68 K72 Q73G60-N70 WeakPolarHBondContact O-CA 3.07Å; G60-N70 PolarHBondContact O-N 2.92Å; I62-N70 HydrophobicContact CB-CB 4.42Å; I62-N70 HydrophobicContact CD1-CB 4.23Å; I62-N70 HydrophobicContact CG1-CB 4.02Å; I62-N70 HydrophobicContact CG2-CB 3.77Å; K68-N70 PolarHBondContact O-N 2.85Å; N70-K72 PolarHBondContact O-N 2.57Å; N70-Q73 WeakPolarHBondContact ND2-CB 3.32Å; N70-Q73 VanDerWaalsContact ND2-CD 3.27Å; N70-Q73 WeakPolarHBondContact ND2-CG 3.31Å; N70-Q73 PolarHBondContact ND2-OE1 3.17Å; N70-Q73 PolarHBondContact O-N 2.94Å
71S61.4Low65.6Low111 Ų11198 Ų9878%0.77655%0.552SS**THydrogen-bonded Turntrans-62.93.2173.5-171.30000113.3G69G69-S71 PolarHBondContact O-N 3.41Å
72K57.8Low64.6Low177 Ų177100.7 Ų100.777%0.7757%0.571SS**THydrogen-bonded Turntrans-115.711.5-177.3-71.2-73.3-164.3-1070113.6N70N70-K72 PolarHBondContact O-N 2.57Å
73Q54.5Low63.3Low128 Ų128103.8 Ų103.860%0.59859%0.593SS**SBendtrans-113.4-2.7175.5-99.4-166-60.100116N70 D75N70-Q73 WeakPolarHBondContact ND2-CB 3.32Å; N70-Q73 VanDerWaalsContact ND2-CD 3.27Å; N70-Q73 WeakPolarHBondContact ND2-CG 3.31Å; N70-Q73 PolarHBondContact ND2-OE1 3.17Å; N70-Q73 PolarHBondContact O-N 2.94Å; Q73-D75 PolarHBondContact O-N 3.47Å
74S52.3Low62.2Low111 Ų111114 Ų11478%0.77663%0.632SS**THydrogen-bonded Turntrans-83.48.5171.4-179.50000113.6
75D55.4Low61.6Low140 Ų140115 Ų11575%0.74963%0.63SS**THydrogen-bonded Turntrans-114.414.3-174.9-16463.1000113.4Q73Q73-D75 PolarHBondContact O-N 3.47Å
76L53.7Low60.9Low157 Ų157118.5 Ų118.582%0.82265%0.652SS**SBendtrans-1289.7179.3-73.2171.1000114.7
77S53Low59.6Low99 Ų99125.1 Ų125.169%0.69269%0.688SS**  trans-108.62316957.30000112.8P79S77-P79 WeakPolarHBondContact O-CD 3.45Å
78E52.8Low58.6Low162 Ų162128.5 Ų128.576%0.75771%0.71SS**  trans-83.1105.3159.7-160.9165.4100.700107.3
79P54.1Low57.3Low99 Ų99128.6 Ų128.664%0.64372%0.72SS**  trans-58143.2168.924.8-32.2000108.7S77 L81S77-P79 WeakPolarHBondContact O-CD 3.45Å; P79-L81 PolarHBondContact O-N 3.15Å
80P49.1Very low56Low119 Ų119133.9 Ų133.977%0.77373%0.734SS**  trans-55.7132.3-178.521.8-31.5000110.3I82P80-I82 PolarHBondContact O-N 2.83Å; P80-I82 VanDerWaalsContact O-N 3.09Å
81L48.8Very low54.9Low145 Ų145141.4 Ų141.476%0.75978%0.776SS**  trans-51113.7171.6-72.7157.1000109.4P79 V83P79-L81 PolarHBondContact O-N 3.15Å; L81-V83 PolarHBondContact O-N 2.97Å; L81-V83 VanDerWaalsContact O-N 3.08Å
82I63.7Low54.4Low147 Ų147143.8 Ų143.875%0.75478%0.776SS**  trans-75.397.9169.2-56.1167.8000106.1P80 Q84P80-I82 PolarHBondContact O-N 2.83Å; P80-I82 VanDerWaalsContact O-N 3.09Å; I82-Q84 HydrophobicContact CG2-CG 3.94Å; I82-Q84 PolarHBondContact O-N 3.27Å
83V55.1Low54.1Low137 Ų137141 Ų14183%0.8378%0.776SS**  trans-76105.4165-82.80000108.2L81L81-V83 PolarHBondContact O-N 2.97Å; L81-V83 VanDerWaalsContact O-N 3.08Å
84Q57.2Low54.1Low248 Ų248142.2 Ų142.2100%1.15979%0.792SS**  trans-1350163.3-70.6-166.7-81.200109.8I82I82-Q84 HydrophobicContact CG2-CG 3.94Å; I82-Q84 PolarHBondContact O-N 3.27Å

Retrieved 84 of 84 residues in 29.1 ms (Link to these results)