A0A077ZCS2_TRITR Loading...

Deltamethrin resistance protein prag01 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZCS2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 75 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
1M44.9Very low60.2Low249 Ų249166.9 Ų166.9100%1.22784%0.838SS**  082.60-137.9175-170.900107.6C3M1-C3 PolarHBondContact O-N 3.38Å
2L50.6Low61Low179 Ų179163.7 Ų163.794%0.93783%0.825SS**  trans-85.8108.6-177.9-99.4144.7000108.3K4L2-K4 PolarHBondContact O-N 2.87Å; L2-K4 VanDerWaalsContact O-N 3.1Å
3C56.6Low61.5Low121 Ų121163.9 Ų163.982%0.81882%0.821SS**  trans-57.4111179.6-159.30000109M1 K5M1-C3 PolarHBondContact O-N 3.38Å; C3-K5 VanDerWaalsContact C-N 3.34Å; C3-K5 PolarHBondContact O-N 3.1Å
4K57.6Low62.2Low199 Ų199158.1 Ų158.187%0.86580%0.798SS**  trans-63.795.3175.7-131.3178.6-176.9-178.70106.9L2 M6L2-K4 PolarHBondContact O-N 2.87Å; L2-K4 VanDerWaalsContact O-N 3.1Å; K4-M6 PolarHBondContact O-N 3.05Å
5K62.7Low62.8Low199 Ų199154.9 Ų154.987%0.86579%0.792SS**  trans-58.2108.7167.9-87-180173.5-178.50106.2C3 L7C3-K5 VanDerWaalsContact C-N 3.34Å; C3-K5 PolarHBondContact O-N 3.1Å; K5-L7 PolarHBondContact O-N 3.08Å; K5-L7 VanDerWaalsContact O-N 3.08Å
6M64.6Low63.3Low181 Ų181154.6 Ų154.689%0.89279%0.791SS**  trans-63.1112.8170.3-60.8-168.8-15100106.1K4 M8K4-M6 PolarHBondContact O-N 3.05Å; M6-M8 PolarHBondContact O-N 2.98Å
7L63.3Low63.8Low158 Ų158151.8 Ų151.883%0.82779%0.786SS**  trans-57.3112171.8-123144.3000105.9K5K5-L7 PolarHBondContact O-N 3.08Å; K5-L7 VanDerWaalsContact O-N 3.08Å
8M64Low64.2Low162 Ų162154.8 Ų154.880%0.79879%0.787SS**  trans-54127.4168.2-76.7174.496.800105.7M6 T10M6-M8 PolarHBondContact O-N 2.98Å; M8-T10 PolarHBondContact O-N 2.75Å
9P65.4Low64.6Low116 Ų116155.1 Ų155.175%0.75378%0.782SS**  trans-6495.5174.425.7-30.9000106.4Y11P9-Y11 PolarHBondContact O-N 2.82Å
10T62.8Low65.4Low75 Ų75150.4 Ų150.446%0.4676%0.762SS.*  trans-60.5134.5167.532.70000106.2M8 D12M8-T10 PolarHBondContact O-N 2.75Å; T10-D12 WeakPolarHBondContact CB-OD2 3.1Å; T10-D12 PolarHBondContact O-N 2.79Å; T10-D12 PolarHBondContact OG1-OD2 3.17Å
11Y69.6Low66.1Low197 Ų197150.9 Ų150.977%0.77376%0.76SS**G310 helixtrans-66.412.7-178.8-71.3-94.3000112.8P9 H13 V14P9-Y11 PolarHBondContact O-N 2.82Å; Y11-H13 PolarHBondContact O-N 3.4Å; Y11-H13 VanDerWaalsContact O-N 3.17Å; Y11-V14 HydrophobicContact CD1-CB 4.33Å; Y11-V14 HydrophobicContact CD1-CG2 3.6Å; Y11-V14 HydrophobicContact CE1-CG2 4.43Å; Y11-V14 HydrophobicContact CG-CG2 4.34Å; Y11-V14 PolarHBondContact O-N 3.02Å
12D69.6Low68.1Low128 Ų128142.5 Ų142.568%0.68473%0.726SS**G310 helixtrans-56.6-29178.1-57.3-30.6000112.6T10T10-D12 WeakPolarHBondContact CB-OD2 3.1Å; T10-D12 PolarHBondContact O-N 2.79Å; T10-D12 PolarHBondContact OG1-OD2 3.17Å
13H67.2Low69.8Low167 Ų167136.6 Ų136.677%0.77370%0.7SS**G310 helixtrans-98.7-2.8179.7-51.1-43.5000113.7Y11 P15Y11-H13 PolarHBondContact O-N 3.4Å; Y11-H13 VanDerWaalsContact O-N 3.17Å; H13-P15 WeakPolarHBondContact O-CD 3.2Å
14V71.3Confident71.2Confident82 Ų82132.5 Ų132.550%0.49767%0.672SS.*SBendtrans-74.9114.8175.7179.30000106.7Y11 I16Y11-V14 HydrophobicContact CD1-CB 4.33Å; Y11-V14 HydrophobicContact CD1-CG2 3.6Å; Y11-V14 HydrophobicContact CE1-CG2 4.43Å; Y11-V14 HydrophobicContact CG-CG2 4.34Å; Y11-V14 PolarHBondContact O-N 3.02Å; V14-I16 PolarHBondContact O-N 2.88Å
15P71.5Confident72.8Confident110 Ų110129 Ų12971%0.71466%0.655SS**  trans-59.6111.3176.424.7-31.7000107H13 P17H13-P15 WeakPolarHBondContact O-CD 3.2Å; P15-P17 WeakPolarHBondContact O-CD 3.19Å; P15-P17 VanDerWaalsContact O-N 3.09Å
16I71.3Confident74.2Confident150 Ų150126 Ų12677%0.76964%0.644SS**  trans-61.2117.1171.2-58.7170000104.4V14 Y18V14-I16 PolarHBondContact O-N 2.88Å; I16-Y18 VanDerWaalsContact C-N 3.32Å; I16-Y18 PolarHBondContact O-N 2.76Å
17P70.8Confident75.5Confident108 Ų108124.8 Ų124.870%0.70163%0.633SS**  trans-62.5100.8178.723.2-30.2000107.5P15 K19P15-P17 WeakPolarHBondContact O-CD 3.19Å; P15-P17 VanDerWaalsContact O-N 3.09Å; P17-K19 PolarHBondContact O-N 2.85Å
18Y71.5Confident76.9Confident206 Ų206123.8 Ų123.881%0.80863%0.625SS**  trans-72.388176.4-165.5-93.8000107.2I16 P20I16-Y18 VanDerWaalsContact C-N 3.32Å; I16-Y18 PolarHBondContact O-N 2.76Å; Y18-P20 WeakPolarHBondContact O-CD 3.45Å
19K72Confident78.4Confident159 Ų159119 Ų11969%0.69160%0.602SS**  trans-73.7121.1163.7-76.7-175.8179.4176.10106.5P17 F21P17-K19 PolarHBondContact O-N 2.85Å; K19-F21 PolarHBondContact O-N 3.4Å; K19-F21 VanDerWaalsContact O-N 3.07Å
20P79.8Confident79.9Confident61 Ų61121 Ų12140%0.39660%0.596SS.*  trans-57.9123.1175.611.5-14.6000108.4Y18 S22 S23 S24Y18-P20 WeakPolarHBondContact O-CD 3.45Å; P20-S22 PolarHBondContact O-N 3.07Å; P20-S23 WeakPolarHBondContact CG-OG 3.41Å; P20-S23 PolarHBondContact O-N 2.85Å; P20-S23 PolarHBondContact O-OG 3.38Å; P20-S23 VanDerWaalsContact O-OG 3.07Å; P20-S24 PolarHBondContact O-N 3.25Å; P20-S24 PolarHBondContact O-OG 3.33Å
21F81Confident81.5Confident161 Ų161120.9 Ų120.971%0.70659%0.594SS**Hα-helixtrans-55.3-39.7-178.6177.3-100.1000111K19 S23 S24 Y25K19-F21 PolarHBondContact O-N 3.4Å; K19-F21 VanDerWaalsContact O-N 3.07Å; F21-S23 PolarHBondContact O-N 3.32Å; F21-S24 PolarHBondContact O-N 3.24Å; F21-Y25 HydrophobicContact CZ-CD2 4.41Å; F21-Y25 WeakPolarHBondContact O-CB 3.25Å; F21-Y25 PolarHBondContact O-N 2.97Å
22S86.5Confident82.8Confident73 Ų73117.5 Ų117.551%0.5158%0.584SS.*Hα-helixtrans-59.3-44.9-179.955.70000113.6P20 Q26P20-S22 PolarHBondContact O-N 3.07Å; S22-Q26 WeakPolarHBondContact O-CB 3.17Å; S22-Q26 VanDerWaalsContact O-CG 3.25Å; S22-Q26 WeakPolarHBondContact O-CG 3.44Å; S22-Q26 PolarHBondContact O-N 3.44Å
23S87.4Confident84.1Confident56 Ų56114.6 Ų114.639%0.39257%0.568SS.*Hα-helixtrans-72.1-38-178.168.20000111.8P20 F21 K27P20-S23 WeakPolarHBondContact CG-OG 3.41Å; P20-S23 PolarHBondContact O-N 2.85Å; P20-S23 PolarHBondContact O-OG 3.38Å; P20-S23 VanDerWaalsContact O-OG 3.07Å; F21-S23 PolarHBondContact O-N 3.32Å; S23-K27 WeakPolarHBondContact O-CB 3.18Å; S23-K27 PolarHBondContact O-N 2.84Å; S23-K27 VanDerWaalsContact O-N 3.11Å
24S86.3Confident85.6Confident35 Ų35114.4 Ų114.425%0.24556%0.561CS.*Hα-helixtrans-66.6-46.1176.3-550000110.4P20 F21 Q26 K27 E28P20-S24 PolarHBondContact O-N 3.25Å; P20-S24 PolarHBondContact O-OG 3.33Å; F21-S24 PolarHBondContact O-N 3.24Å; S24-Q26 PolarHBondContact O-N 3.07Å; S24-K27 PolarHBondContact O-N 2.93Å; S24-E28 WeakPolarHBondContact O-CG 3.32Å; S24-E28 PolarHBondContact O-N 2.94Å
25Y89.7Confident86.9Confident126 Ų126116 Ų11649%0.49457%0.566SS.*Hα-helixtrans-59.7-47175.7178.8-98.4000112.5F21 K27 E28 N29F21-Y25 HydrophobicContact CZ-CD2 4.41Å; F21-Y25 WeakPolarHBondContact O-CB 3.25Å; F21-Y25 PolarHBondContact O-N 2.97Å; Y25-K27 VanDerWaalsContact C-N 3.3Å; Y25-K27 PolarHBondContact O-N 3.27Å; Y25-E28 PolarHBondContact O-N 3.38Å; Y25-N29 HydrophobicContact CE1-CB 4.47Å; Y25-N29 WeakPolarHBondContact O-CB 3.44Å; Y25-N29 PolarHBondContact O-N 3.44Å
26Q92.7Very high88.1Confident135 Ų135115.4 Ų115.463%0.63156%0.556SS**Hα-helixtrans-59.4-42.6177.5-79.1176.8-7.100112S22 S24 Y30S22-Q26 WeakPolarHBondContact O-CB 3.17Å; S22-Q26 VanDerWaalsContact O-CG 3.25Å; S22-Q26 WeakPolarHBondContact O-CG 3.44Å; S22-Q26 PolarHBondContact O-N 3.44Å; S24-Q26 PolarHBondContact O-N 3.07Å; Q26-Y30 VanDerWaalsContact O-CB 3.32Å; Q26-Y30 WeakPolarHBondContact O-CB 3.39Å; Q26-Y30 PolarHBondContact O-N 3.5Å
27K92.7Very high89.4Confident156 Ų156112.1 Ų112.168%0.67854%0.543SS*.Hα-helixtrans-63.8-47.7178.2-176.4177.4178.5179.60111.5S23 S24 Y25 Y30 V31S23-K27 WeakPolarHBondContact O-CB 3.18Å; S23-K27 PolarHBondContact O-N 2.84Å; S23-K27 VanDerWaalsContact O-N 3.11Å; S24-K27 PolarHBondContact O-N 2.93Å; Y25-K27 VanDerWaalsContact C-N 3.3Å; Y25-K27 PolarHBondContact O-N 3.27Å; K27-Y30 PolarHBondContact O-N 3.22Å; K27-V31 WeakPolarHBondContact O-CG2 3.36Å; K27-V31 PolarHBondContact O-N 3.13Å; K27-V31 VanDerWaalsContact O-N 3.12Å
28E92.5Very high90.7Very high137 Ų137111.1 Ų111.164%0.6454%0.535SS*.Hα-helixtrans-66.2-42.8179.7-72175.6-168.900111.8S24 Y25 Y30 V31 F32S24-E28 WeakPolarHBondContact O-CG 3.32Å; S24-E28 PolarHBondContact O-N 2.94Å; Y25-E28 PolarHBondContact O-N 3.38Å; E28-Y30 VanDerWaalsContact C-N 3.35Å; E28-Y30 PolarHBondContact O-N 3.11Å; E28-V31 PolarHBondContact O-N 2.86Å; E28-F32 WeakPolarHBondContact O-CB 3.3Å; E28-F32 PolarHBondContact O-N 3.49Å
29N94.8Very high92Very high61 Ų61103.2 Ų103.233%0.32652%0.516SS..Hα-helixtrans-64.6-38.3177.4-166.239.9000111.9Y25 F32 N33Y25-N29 HydrophobicContact CE1-CB 4.47Å; Y25-N29 WeakPolarHBondContact O-CB 3.44Å; Y25-N29 PolarHBondContact O-N 3.44Å; N29-F32 PolarHBondContact O-N 2.88Å; N29-N33 VanDerWaalsContact O-CB 3.3Å; N29-N33 WeakPolarHBondContact O-CB 3.37Å; N29-N33 PolarHBondContact O-N 2.97Å; N29-N33 PolarHBondContact O-ND2 3.36Å; N29-N33 VanDerWaalsContact O-ND2 3.13Å
30Y96Very high93.2Very high159 Ų15997.8 Ų97.862%0.62450%0.5SS*.Hα-helixtrans-62-44.7173.3175.9-98.1000111.9Q26 K27 E28 N33 R34Q26-Y30 VanDerWaalsContact O-CB 3.32Å; Q26-Y30 WeakPolarHBondContact O-CB 3.39Å; Q26-Y30 PolarHBondContact O-N 3.5Å; K27-Y30 PolarHBondContact O-N 3.22Å; E28-Y30 VanDerWaalsContact C-N 3.35Å; E28-Y30 PolarHBondContact O-N 3.11Å; Y30-N33 PolarHBondContact O-N 3.44Å; Y30-R34 WeakPolarHBondContact O-CB 3.45Å; Y30-R34 PolarHBondContact O-N 3.45Å
31V97.1Very high94.1Very high71 Ų7199.9 Ų99.943%0.4351%0.507SS..Hα-helixtrans-63.3-45.7177172.90000110.9K27 E28 R34 I35K27-V31 WeakPolarHBondContact O-CG2 3.36Å; K27-V31 PolarHBondContact O-N 3.13Å; K27-V31 VanDerWaalsContact O-N 3.12Å; E28-V31 PolarHBondContact O-N 2.86Å; V31-R34 PolarHBondContact O-N 3.43Å; V31-I35 HydrophobicContact CG1-CD1 4.04Å; V31-I35 WeakPolarHBondContact O-CG1 3.42Å; V31-I35 PolarHBondContact O-N 2.87Å
32F97.2Very high94.9Very high126 Ų12697.8 Ų97.855%0.55350%0.501SS*.Hα-helixtrans-59.2-50.2176.7177.7-100.8000111.8E28 N29 R34 I35 L36E28-F32 WeakPolarHBondContact O-CB 3.3Å; E28-F32 PolarHBondContact O-N 3.49Å; N29-F32 PolarHBondContact O-N 2.88Å; F32-R34 VanDerWaalsContact C-N 3.27Å; F32-R34 PolarHBondContact O-N 3.12Å; F32-I35 PolarHBondContact O-N 3.48Å; F32-I35 VanDerWaalsContact O-N 3.14Å; F32-L36 HydrophobicContact CE1-CD2 4.19Å; F32-L36 WeakPolarHBondContact O-CB 3.37Å; F32-L36 PolarHBondContact O-N 3.36Å
33N97.6Very high95.4Very high67 Ų6799.7 Ų99.736%0.35851%0.505SS..Hα-helixtrans-62.2-34.9179.3-73.5-28.7000112.3N29 Y30 L36 T37N29-N33 VanDerWaalsContact O-CB 3.3Å; N29-N33 WeakPolarHBondContact O-CB 3.37Å; N29-N33 PolarHBondContact O-N 2.97Å; N29-N33 PolarHBondContact O-ND2 3.36Å; N29-N33 VanDerWaalsContact O-ND2 3.13Å; Y30-N33 PolarHBondContact O-N 3.44Å; N33-L36 PolarHBondContact O-N 3.14Å; N33-T37 WeakPolarHBondContact O-CB 3.39Å; N33-T37 PolarHBondContact O-N 2.68Å; N33-T37 PolarHBondContact O-OG1 2.82Å
34R97.8Very high95.9Very high164 Ų164102.4 Ų102.462%0.61951%0.514SS*.Hα-helixtrans-65-45.8174.3-177.7176.7162.7-155.7-5.1111.6Y30 V31 F32 L36 T37 V38Y30-R34 WeakPolarHBondContact O-CB 3.45Å; Y30-R34 PolarHBondContact O-N 3.45Å; V31-R34 PolarHBondContact O-N 3.43Å; F32-R34 VanDerWaalsContact C-N 3.27Å; F32-R34 PolarHBondContact O-N 3.12Å; R34-L36 VanDerWaalsContact C-N 3.35Å; R34-T37 PolarHBondContact O-N 3.31Å; R34-V38 WeakPolarHBondContact O-CG2 3.33Å; R34-V38 PolarHBondContact O-N 3.37Å
35I97.9Very high96.4Very high116 Ų116103.6 Ų103.660%0.59552%0.522SS*.Hα-helixtrans-61.7-45.8175.9-66166.2000110.1V31 F32 T37 V38 G39V31-I35 HydrophobicContact CG1-CD1 4.04Å; V31-I35 WeakPolarHBondContact O-CG1 3.42Å; V31-I35 PolarHBondContact O-N 2.87Å; F32-I35 PolarHBondContact O-N 3.48Å; F32-I35 VanDerWaalsContact O-N 3.14Å; I35-T37 VanDerWaalsContact C-N 3.34Å; I35-T37 PolarHBondContact O-N 3.3Å; I35-V38 PolarHBondContact O-N 2.85Å; I35-G39 PolarHBondContact O-N 2.88Å
36L98.1Very high96.7Very high97 Ų97100.5 Ų100.551%0.50852%0.517SS..Hα-helixtrans-60-43178.2-176.763.8000111.8F32 N33 R34 G39 A40F32-L36 HydrophobicContact CE1-CD2 4.19Å; F32-L36 WeakPolarHBondContact O-CB 3.37Å; F32-L36 PolarHBondContact O-N 3.36Å; N33-L36 PolarHBondContact O-N 3.14Å; R34-L36 VanDerWaalsContact C-N 3.35Å; L36-G39 PolarHBondContact O-N 3.04Å; L36-A40 WeakPolarHBondContact O-CB 3.33Å; L36-A40 PolarHBondContact O-N 3.07Å
37T98.1Very high96.7Very high81 Ų8196 Ų9650%0.49750%0.5SS..Hα-helixtrans-64.4-46.3179.4-570000111.2N33 R34 I35 G39 A40 I41N33-T37 WeakPolarHBondContact O-CB 3.39Å; N33-T37 PolarHBondContact O-N 2.68Å; N33-T37 PolarHBondContact O-OG1 2.82Å; R34-T37 PolarHBondContact O-N 3.31Å; I35-T37 VanDerWaalsContact C-N 3.34Å; I35-T37 PolarHBondContact O-N 3.3Å; T37-G39 VanDerWaalsContact C-N 3.34Å; T37-G39 PolarHBondContact O-N 2.88Å; T37-A40 PolarHBondContact O-N 2.97Å; T37-I41 HydrophobicContact CG2-CD1 4.04Å; T37-I41 VanDerWaalsContact O-CG1 3.29Å; T37-I41 WeakPolarHBondContact O-CG1 3.35Å; T37-I41 PolarHBondContact O-N 2.98Å
38V98.2Very high96.7Very high87 Ų8793 Ų9353%0.52750%0.495SS..Hα-helixtrans-62.1-44.3176.3173.50000110.6R34 I35 A40 I41 M42R34-V38 WeakPolarHBondContact O-CG2 3.33Å; R34-V38 PolarHBondContact O-N 3.37Å; I35-V38 PolarHBondContact O-N 2.85Å; V38-A40 PolarHBondContact O-N 3.35Å; V38-I41 PolarHBondContact O-N 3.33Å; V38-M42 HydrophobicContact CG1-CG 4.49Å; V38-M42 WeakPolarHBondContact O-CB 3.37Å; V38-M42 VanDerWaalsContact O-CG 3.31Å; V38-M42 WeakPolarHBondContact O-CG 3.31Å; V38-M42 PolarHBondContact O-N 3.49Å
39G98.3Very high96.7Very high40 Ų4091.7 Ų91.741%0.41249%0.487SS..Hα-helixtrans-60.6-42.9176.100000112.9I35 L36 T37 M42 L43I35-G39 PolarHBondContact O-N 2.88Å; L36-G39 PolarHBondContact O-N 3.04Å; T37-G39 VanDerWaalsContact C-N 3.34Å; T37-G39 PolarHBondContact O-N 2.88Å; G39-M42 PolarHBondContact O-N 3.37Å; G39-L43 WeakPolarHBondContact O-CB 3.43Å; G39-L43 PolarHBondContact O-N 3.5Å
40A98.3Very high96.4Very high44 Ų4492.2 Ų92.236%0.36449%0.489SS..Hα-helixtrans-64.1-43176.900000112L36 T37 V38 L43 L44L36-A40 WeakPolarHBondContact O-CB 3.33Å; L36-A40 PolarHBondContact O-N 3.07Å; T37-A40 PolarHBondContact O-N 2.97Å; V38-A40 PolarHBondContact O-N 3.35Å; A40-L43 PolarHBondContact O-N 3.44Å; A40-L44 WeakPolarHBondContact O-CB 3.49Å; A40-L44 VanDerWaalsContact O-CG 3.27Å; A40-L44 WeakPolarHBondContact O-CG 3.28Å; A40-L44 PolarHBondContact O-N 3.29Å
41I98.2Very high96Very high105 Ų10591.5 Ų91.554%0.53849%0.491SS..Hα-helixtrans-61.7-45.6176-68.6166.2000110.6T37 V38 L43 L44 S45T37-I41 HydrophobicContact CG2-CD1 4.04Å; T37-I41 VanDerWaalsContact O-CG1 3.29Å; T37-I41 WeakPolarHBondContact O-CG1 3.35Å; T37-I41 PolarHBondContact O-N 2.98Å; V38-I41 PolarHBondContact O-N 3.33Å; I41-L43 PolarHBondContact O-N 3.41Å; I41-L44 PolarHBondContact O-N 2.95Å; I41-S45 WeakPolarHBondContact O-CB 3.27Å; I41-S45 PolarHBondContact O-N 3.5Å; I41-S45 PolarHBondContact O-OG 3.35Å
42M98.1Very high95.5Very high117 Ų11791.8 Ų91.858%0.57650%0.5SS*.Hα-helixtrans-63.3-39.8177.6-73.5-67.5-67.700112.4V38 G39 S45 T46V38-M42 HydrophobicContact CG1-CG 4.49Å; V38-M42 WeakPolarHBondContact O-CB 3.37Å; V38-M42 VanDerWaalsContact O-CG 3.31Å; V38-M42 WeakPolarHBondContact O-CG 3.31Å; V38-M42 PolarHBondContact O-N 3.49Å; G39-M42 PolarHBondContact O-N 3.37Å; M42-S45 PolarHBondContact O-OG 2.68Å; M42-T46 WeakPolarHBondContact O-CB 3.29Å; M42-T46 PolarHBondContact O-N 3.31Å; M42-T46 VanDerWaalsContact O-N 3.08Å; M42-T46 PolarHBondContact O-OG1 2.84Å
43L97.2Very high94.9Very high113 Ų11393.2 Ų93.259%0.59250%0.503SS*.Hα-helixtrans-66.8-47.6176.6-178.465.7000110.8G39 A40 I41 T46 C47G39-L43 WeakPolarHBondContact O-CB 3.43Å; G39-L43 PolarHBondContact O-N 3.5Å; A40-L43 PolarHBondContact O-N 3.44Å; I41-L43 PolarHBondContact O-N 3.41Å; L43-T46 PolarHBondContact O-N 2.88Å; L43-C47 WeakPolarHBondContact O-CB 3.38Å; L43-C47 PolarHBondContact O-N 2.89Å; L43-C47 PolarHBondContact O-SG 3.02Å
44L97.5Very high94Very high114 Ų11495.8 Ų95.860%0.59752%0.517SS*.Hα-helixtrans-63.4-42.9179.8-74.4173000112.2A40 I41 T46 C47 T48A40-L44 WeakPolarHBondContact O-CB 3.49Å; A40-L44 VanDerWaalsContact O-CG 3.27Å; A40-L44 WeakPolarHBondContact O-CG 3.28Å; A40-L44 PolarHBondContact O-N 3.29Å; I41-L44 PolarHBondContact O-N 2.95Å; L44-T46 VanDerWaalsContact C-N 3.32Å; L44-T46 PolarHBondContact O-N 3.08Å; L44-C47 PolarHBondContact O-N 3.25Å; L44-T48 VanDerWaalsContact O-CB 3.28Å; L44-T48 WeakPolarHBondContact O-CB 3.33Å; L44-T48 PolarHBondContact O-N 3.15Å; L44-T48 PolarHBondContact O-OG1 2.65Å
45S96.6Very high92.9Very high59 Ų5992.3 Ų92.341%0.41351%0.51SS..Hα-helixtrans-62.7-42.5176.565.30000111I41 M42 T48 F49I41-S45 WeakPolarHBondContact O-CB 3.27Å; I41-S45 PolarHBondContact O-N 3.5Å; I41-S45 PolarHBondContact O-OG 3.35Å; M42-S45 PolarHBondContact O-OG 2.68Å; S45-T48 PolarHBondContact O-N 3.26Å; S45-F49 VanDerWaalsContact O-CB 3.31Å; S45-F49 WeakPolarHBondContact O-CB 3.4Å; S45-F49 PolarHBondContact O-N 3.41Å
46T94.7Very high91.6Very high61 Ų6191.5 Ų91.537%0.37450%0.5SS..Hα-helixtrans-63.8-48.3176.6-55.20000111.6M42 L43 L44 T48 F49 M50M42-T46 WeakPolarHBondContact O-CB 3.29Å; M42-T46 PolarHBondContact O-N 3.31Å; M42-T46 VanDerWaalsContact O-N 3.08Å; M42-T46 PolarHBondContact O-OG1 2.84Å; L43-T46 PolarHBondContact O-N 2.88Å; L44-T46 VanDerWaalsContact C-N 3.32Å; L44-T46 PolarHBondContact O-N 3.08Å; T46-T48 VanDerWaalsContact C-N 3.33Å; T46-T48 PolarHBondContact O-N 2.68Å; T46-F49 PolarHBondContact O-N 2.87Å; T46-M50 HydrophobicContact CG2-CE 3.9Å; T46-M50 HydrophobicContact CG2-CG 4.46Å; T46-M50 HydrophobicContact CG2-SD 4.17Å; T46-M50 WeakPolarHBondContact O-CB 3.43Å; T46-M50 WeakPolarHBondContact O-CG 3.31Å; T46-M50 PolarHBondContact O-N 2.82Å
47C93.1Very high90Very high42 Ų4292.7 Ų92.728%0.28451%0.506SS..Hα-helixtrans-60.9-41.9176.8-72.50000112L43 L44 M50 H51 W56L43-C47 WeakPolarHBondContact O-CB 3.38Å; L43-C47 PolarHBondContact O-N 2.89Å; L43-C47 PolarHBondContact O-SG 3.02Å; L44-C47 PolarHBondContact O-N 3.25Å; C47-M50 PolarHBondContact O-N 3.3Å; C47-H51 VanDerWaalsContact O-CB 3.31Å; C47-H51 WeakPolarHBondContact O-CB 3.32Å; C47-H51 PolarHBondContact O-N 3.49Å; C47-W56 HydrophobicContact CB-CZ2 4.13Å
48T93.4Very high88.3Confident91 Ų9194 Ų9456%0.55851%0.51SS*.Hα-helixtrans-64.5-45.1177.9-55.60000110.6L44 S45 T46 H51 A52L44-T48 VanDerWaalsContact O-CB 3.28Å; L44-T48 WeakPolarHBondContact O-CB 3.33Å; L44-T48 PolarHBondContact O-N 3.15Å; L44-T48 PolarHBondContact O-OG1 2.65Å; S45-T48 PolarHBondContact O-N 3.26Å; T46-T48 VanDerWaalsContact C-N 3.33Å; T46-T48 PolarHBondContact O-N 2.68Å; T48-H51 PolarHBondContact O-N 3.31Å; T48-A52 WeakPolarHBondContact O-CB 3.32Å; T48-A52 PolarHBondContact O-N 3.41Å
49F91.9Very high86.3Confident111 Ų11193.2 Ų93.249%0.48750%0.5SS..Hα-helixtrans-61-48.4175.1-176.3-94.9000111.1S45 T46 H51 A52 Y53 L55S45-F49 VanDerWaalsContact O-CB 3.31Å; S45-F49 WeakPolarHBondContact O-CB 3.4Å; S45-F49 PolarHBondContact O-N 3.41Å; T46-F49 PolarHBondContact O-N 2.87Å; F49-H51 VanDerWaalsContact C-N 3.27Å; F49-H51 PolarHBondContact O-N 2.88Å; F49-A52 PolarHBondContact O-N 3.31Å; F49-Y53 HydrophobicContact CD1-CD2 4.24Å; F49-Y53 AromaticContact CD2-CD2 3.69Å; F49-Y53 HydrophobicContact CD2-CD2 3.69Å; F49-Y53 AromaticContact CD2-CE2 3.52Å; F49-Y53 HydrophobicContact CD2-CE2 3.52Å; F49-Y53 HydrophobicContact CE1-CD2 4.08Å; F49-Y53 AromaticContact CE2-CD2 3.51Å; F49-Y53 HydrophobicContact CE2-CD2 3.51Å; F49-Y53 AromaticContact CE2-CE2 3.16Å; F49-Y53 HydrophobicContact CE2-CE2 3.16Å; F49-Y53 HydrophobicContact CG-CD2 4.06Å; F49-Y53 HydrophobicContact CG-CE2 4.34Å; F49-Y53 AromaticContact CZ-CD2 3.71Å; F49-Y53 HydrophobicContact CZ-CD2 3.71Å; F49-Y53 AromaticContact CZ-CE2 3.74Å; F49-Y53 HydrophobicContact CZ-CE2 3.74Å; F49-Y53 HydrophobicContact CZ-CG 4.46Å; F49-Y53 WeakPolarHBondContact O-CD2 3.33Å; F49-Y53 PolarHBondContact O-N 2.85Å; F49-L55 HydrophobicContact CD1-CD1 3.86Å; F49-L55 HydrophobicContact CE1-CD1 3.51Å; F49-L55 HydrophobicContact CZ-CD1 4.46Å
50M89.9Confident84.5Confident72 Ų7295 Ų9536%0.35551%0.512SS..Hα-helixtrans-59.1-39.6177.3-73.9179.8170.500112.2T46 C47 D54 L55 W56T46-M50 HydrophobicContact CG2-CE 3.9Å; T46-M50 HydrophobicContact CG2-CG 4.46Å; T46-M50 HydrophobicContact CG2-SD 4.17Å; T46-M50 WeakPolarHBondContact O-CB 3.43Å; T46-M50 WeakPolarHBondContact O-CG 3.31Å; T46-M50 PolarHBondContact O-N 2.82Å; C47-M50 PolarHBondContact O-N 3.3Å; M50-D54 PolarHBondContact O-N 3.43Å; M50-D54 VanDerWaalsContact O-N 3.14Å; M50-L55 HydrophobicContact CB-CB 4.38Å; M50-L55 HydrophobicContact CG-CB 4.36Å; M50-L55 PolarHBondContact O-N 3.3Å; M50-W56 VanDerWaalsContact C-CD1 3.42Å; M50-W56 HydrophobicContact CB-CD2 4.24Å; M50-W56 HydrophobicContact CB-CG 4.4Å; M50-W56 HydrophobicContact CB-CZ2 4.03Å; M50-W56 VanDerWaalsContact O-CD1 3.26Å; M50-W56 HydrophobicContact SD-CZ2 4.49Å
51H86.1Confident82.9Confident144 Ų144100.2 Ų100.267%0.66753%0.533SS*.Hα-helixtrans-72.5-37.9178.5-168.3-57.6000112.4C47 T48 F49 Y53 D54 W56C47-H51 VanDerWaalsContact O-CB 3.31Å; C47-H51 WeakPolarHBondContact O-CB 3.32Å; C47-H51 PolarHBondContact O-N 3.49Å; T48-H51 PolarHBondContact O-N 3.31Å; F49-H51 VanDerWaalsContact C-N 3.27Å; F49-H51 PolarHBondContact O-N 2.88Å; H51-Y53 VanDerWaalsContact C-N 3.32Å; H51-Y53 PolarHBondContact O-N 2.88Å; H51-D54 PolarHBondContact O-N 3.41Å; H51-W56 VanDerWaalsContact CA-NE1 3.31Å
52A87.4Confident81Confident77 Ų77101.4 Ų101.464%0.63653%0.53SS*.Hα-helixtrans-66.8-34.9179.100000112.3T48 F49T48-A52 WeakPolarHBondContact O-CB 3.32Å; T48-A52 PolarHBondContact O-N 3.41Å; F49-A52 PolarHBondContact O-N 3.31Å
53Y85Confident79.4Confident155 Ų15598.1 Ų98.161%0.60852%0.521SS*.THydrogen-bonded Turntrans-997.5-178.8-72.2-81000113.9F49 H51 L55F49-Y53 HydrophobicContact CD1-CD2 4.24Å; F49-Y53 AromaticContact CD2-CD2 3.69Å; F49-Y53 HydrophobicContact CD2-CD2 3.69Å; F49-Y53 AromaticContact CD2-CE2 3.52Å; F49-Y53 HydrophobicContact CD2-CE2 3.52Å; F49-Y53 HydrophobicContact CE1-CD2 4.08Å; F49-Y53 AromaticContact CE2-CD2 3.51Å; F49-Y53 HydrophobicContact CE2-CD2 3.51Å; F49-Y53 AromaticContact CE2-CE2 3.16Å; F49-Y53 HydrophobicContact CE2-CE2 3.16Å; F49-Y53 HydrophobicContact CG-CD2 4.06Å; F49-Y53 HydrophobicContact CG-CE2 4.34Å; F49-Y53 AromaticContact CZ-CD2 3.71Å; F49-Y53 HydrophobicContact CZ-CD2 3.71Å; F49-Y53 AromaticContact CZ-CE2 3.74Å; F49-Y53 HydrophobicContact CZ-CE2 3.74Å; F49-Y53 HydrophobicContact CZ-CG 4.46Å; F49-Y53 WeakPolarHBondContact O-CD2 3.33Å; F49-Y53 PolarHBondContact O-N 2.85Å; H51-Y53 VanDerWaalsContact C-N 3.32Å; H51-Y53 PolarHBondContact O-N 2.88Å; Y53-L55 HydrophobicContact CG-CD1 4.38Å; Y53-L55 PolarHBondContact O-N 2.89Å
54D77.8Confident78.1Confident121 Ų12196.7 Ų96.765%0.64752%0.519SS*.THydrogen-bonded Turntrans50.631-176.2-145.313.6000112.4M50 H51 W56M50-D54 PolarHBondContact O-N 3.43Å; M50-D54 VanDerWaalsContact O-N 3.14Å; H51-D54 PolarHBondContact O-N 3.41Å; D54-W56 PolarHBondContact O-N 3.26Å
55L74.6Confident76.6Confident91 Ų9198.1 Ų98.148%0.47652%0.52SS..  trans-77.4-3.2-179.7-73.7161.8000112.3F49 M50 Y53 D57F49-L55 HydrophobicContact CD1-CD1 3.86Å; F49-L55 HydrophobicContact CE1-CD1 3.51Å; F49-L55 HydrophobicContact CZ-CD1 4.46Å; M50-L55 HydrophobicContact CB-CB 4.38Å; M50-L55 HydrophobicContact CG-CB 4.36Å; M50-L55 PolarHBondContact O-N 3.3Å; Y53-L55 HydrophobicContact CG-CD1 4.38Å; Y53-L55 PolarHBondContact O-N 2.89Å; L55-D57 PolarHBondContact O-N 2.85Å
56W71.3Confident75.4Confident99 Ų9999.1 Ų99.138%0.37553%0.527SS..  trans-66.790.6159.9-53.689.5000105.5C47 M50 H51 D54 L58C47-W56 HydrophobicContact CB-CZ2 4.13Å; M50-W56 VanDerWaalsContact C-CD1 3.42Å; M50-W56 HydrophobicContact CB-CD2 4.24Å; M50-W56 HydrophobicContact CB-CG 4.4Å; M50-W56 HydrophobicContact CB-CZ2 4.03Å; M50-W56 VanDerWaalsContact O-CD1 3.26Å; M50-W56 HydrophobicContact SD-CZ2 4.49Å; H51-W56 VanDerWaalsContact CA-NE1 3.31Å; D54-W56 PolarHBondContact O-N 3.26Å; W56-L58 HydrophobicContact CB-CB 4.29Å; W56-L58 HydrophobicContact CB-CD1 3.77Å; W56-L58 HydrophobicContact CB-CG 4.05Å; W56-L58 HydrophobicContact CG-CD1 4.38Å; W56-L58 PolarHBondContact O-N 3.31Å
57D64.9Low74.2Confident122 Ų122103.5 Ų103.565%0.65254%0.538SS*.THydrogen-bonded Turntrans-59.524.4165.9-87.3-31.7000112.2L55 E59 A60 L61L55-D57 PolarHBondContact O-N 2.85Å; D57-E59 PolarHBondContact O-N 3.29Å; D57-A60 HydrophobicContact CB-CB 4.11Å; D57-A60 WeakPolarHBondContact O-CA 3.32Å; D57-A60 VanDerWaalsContact O-CB 3.28Å; D57-A60 WeakPolarHBondContact O-CB 3.3Å; D57-A60 PolarHBondContact O-N 3.14Å; D57-L61 PolarHBondContact O-N 3.5Å
58L62.1Low72.8Confident110 Ų110107 Ų10758%0.57655%0.545SS*.Hα-helixtrans-47.2-33.8154-75.8167000111.2W56 A60 L61 R62W56-L58 HydrophobicContact CB-CB 4.29Å; W56-L58 HydrophobicContact CB-CD1 3.77Å; W56-L58 HydrophobicContact CB-CG 4.05Å; W56-L58 HydrophobicContact CG-CD1 4.38Å; W56-L58 PolarHBondContact O-N 3.31Å; L58-A60 VanDerWaalsContact C-N 3.26Å; L58-A60 PolarHBondContact O-N 3.05Å; L58-L61 HydrophobicContact CD2-CD1 4.48Å; L58-L61 PolarHBondContact O-N 2.92Å; L58-R62 VanDerWaalsContact O-CB 3.32Å; L58-R62 WeakPolarHBondContact O-CB 3.31Å; L58-R62 PolarHBondContact O-N 3.49Å
59E56.6Low71.8Confident69 Ų69108.9 Ų108.932%0.32255%0.552SS.*Hα-helixtrans-66.5-25.4173.5-160.476.5177.900112.2D57 R62 K65D57-E59 PolarHBondContact O-N 3.29Å; E59-R62 VanDerWaalsContact O-CB 3.32Å; E59-R62 WeakPolarHBondContact O-CB 3.28Å; E59-R62 PolarHBondContact O-N 3.07Å; E59-R62 WeakPolarHBondContact OE2-CD 3.33Å; E59-R62 IonicContact OE2-NH1 3.7Å; E59-K65 VanDerWaalsContact OE1-CE 3.3Å; E59-K65 WeakPolarHBondContact OE1-CE 3.44Å
60A60.9Low71Confident78 Ų78111.5 Ų111.565%0.64556%0.559SS**Hα-helixtrans-76.5-30.3172.700000113.1D57 L58D57-A60 HydrophobicContact CB-CB 4.11Å; D57-A60 WeakPolarHBondContact O-CA 3.32Å; D57-A60 VanDerWaalsContact O-CB 3.28Å; D57-A60 WeakPolarHBondContact O-CB 3.3Å; D57-A60 PolarHBondContact O-N 3.14Å; L58-A60 VanDerWaalsContact C-N 3.26Å; L58-A60 PolarHBondContact O-N 3.05Å
61L62.8Low70.3Confident154 Ų154113.5 Ų113.581%0.80658%0.575SS**Hα-helixtrans-73.3-18.6166.7-73.6168.3000112.2D57 L58D57-L61 PolarHBondContact O-N 3.5Å; L58-L61 HydrophobicContact CD2-CD1 4.48Å; L58-L61 PolarHBondContact O-N 2.92Å
62R59.4Low69.7Low130 Ų130112 Ų11249%0.49158%0.575SS.*SBendtrans-86.5138.2-178.7-141.7164.4-170.4-139.4-10.9108.9L58 E59 R68L58-R62 VanDerWaalsContact O-CB 3.32Å; L58-R62 WeakPolarHBondContact O-CB 3.31Å; L58-R62 PolarHBondContact O-N 3.49Å; E59-R62 VanDerWaalsContact O-CB 3.32Å; E59-R62 WeakPolarHBondContact O-CB 3.28Å; E59-R62 PolarHBondContact O-N 3.07Å; E59-R62 WeakPolarHBondContact OE2-CD 3.33Å; E59-R62 IonicContact OE2-NH1 3.7Å; R62-R68 VanDerWaalsContact NE-CZ 3.27Å
63A63.8Low69.1Low47 Ų47115.9 Ų115.939%0.38858%0.58SS.*PPolyproline II helixtrans-56136.3175.800000109.7
64P69.4Low68.7Low83 Ų83119.4 Ų119.454%0.53959%0.592SS.*PPolyproline II helixtrans-50.7144.3-175.73.4-13.2000110.9S66 Y67P64-S66 PolarHBondContact O-N 3.23Å; P64-Y67 WeakPolarHBondContact O-CB 3.46Å; P64-Y67 PolarHBondContact O-N 3.22Å
65K66.8Low68.5Low144 Ų144124.7 Ų124.763%0.62662%0.621SS**Hα-helixtrans-49.5-32.5-178.3-74.4-178.1-179.7172.60112.9E59 Y67 R68 N69E59-K65 VanDerWaalsContact OE1-CE 3.3Å; E59-K65 WeakPolarHBondContact OE1-CE 3.44Å; K65-Y67 VanDerWaalsContact C-N 3.32Å; K65-Y67 PolarHBondContact O-N 3.17Å; K65-R68 PolarHBondContact O-N 3.07Å; K65-N69 WeakPolarHBondContact O-CB 3.39Å; K65-N69 PolarHBondContact O-N 3.06Å
66S71.5Confident68.2Low80 Ų80126.4 Ų126.456%0.55963%0.628SS**Hα-helixtrans-61.6-33174.7610000114.2P64 R70P64-S66 PolarHBondContact O-N 3.23Å; S66-R70 WeakPolarHBondContact O-CG 3.49Å
67Y69.4Low68Low154 Ų154127.8 Ų127.860%0.60464%0.641SS**Hα-helixtrans-74.8-31.8178-125.7-91000112.3P64 K65P64-Y67 WeakPolarHBondContact O-CB 3.46Å; P64-Y67 PolarHBondContact O-N 3.22Å; K65-Y67 VanDerWaalsContact C-N 3.32Å; K65-Y67 PolarHBondContact O-N 3.17Å
68R64.1Low68.2Low115 Ų115128.2 Ų128.243%0.43464%0.64SS.*Hα-helixtrans-81.6-36-179.5-71.9175.5157.8179.9-7.2113.9R62 K65 R70R62-R68 VanDerWaalsContact NE-CZ 3.27Å; K65-R68 PolarHBondContact O-N 3.07Å; R68-R70 VanDerWaalsContact C-N 3.29Å
69N73Confident68.6Low131 Ų131129.2 Ų129.270%0.70164%0.644SS**SBendtrans-89.68.9-178.7-67.6-4.8000112.7K65 V71K65-N69 WeakPolarHBondContact O-CB 3.39Å; K65-N69 PolarHBondContact O-N 3.06Å; N69-V71 PolarHBondContact O-N 3.04Å
70R74.6Confident69.3Low166 Ų166133 Ų13363%0.62666%0.664SS**  trans-64.5113.6170.9-90.2-178.4-160.1-1604.5108.8S66 R68 V72S66-R70 WeakPolarHBondContact O-CG 3.49Å; R68-R70 VanDerWaalsContact C-N 3.29Å; R70-V72 PolarHBondContact O-N 3.41Å; R70-V72 VanDerWaalsContact O-N 3.07Å
71V74.8Confident69.9Low114 Ų114136.7 Ų136.769%0.69167%0.666SS**  trans-64.2106.1159.3-177.20000106N69 H73N69-V71 PolarHBondContact O-N 3.04Å; V71-H73 PolarHBondContact O-N 2.77Å
72V74Confident70.4Confident111 Ų111135.4 Ų135.467%0.67366%0.656SS**  trans-75.8102.8172.2-179.10000106.3R70 R74R70-V72 PolarHBondContact O-N 3.41Å; R70-V72 VanDerWaalsContact O-N 3.07Å; V72-R74 HydrophobicContact CG1-CG 4.26Å; V72-R74 PolarHBondContact O-N 2.95Å
73H75.2Confident71.2Confident159 Ų159135.8 Ų135.874%0.73667%0.668SS**  trans-68.4112.4162.2-66.3-33.4000106.9V71V71-H73 PolarHBondContact O-N 2.77Å
74R75.8Confident71.8Confident229 Ų229143.3 Ų143.386%0.86469%0.692SS**  trans-88.7122.9162-74.3-173.6177157.5-0.8105.9V72V72-R74 HydrophobicContact CG1-CG 4.26Å; V72-R74 PolarHBondContact O-N 2.95Å
75D73.4Confident72.1Confident233 Ų233148.7 Ų148.7100%1.24671%0.705SS**  trans-58.50170.8-59.9-33.6000111.2

Retrieved 75 of 75 residues in 13.2 ms (Link to these results)