A0A077ZKH4_TRITR Loading...

CCR4NOT transcription complex subunit putative

AlphaFold DB , UniProt , Accession A0A077ZKH4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 145 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
1M45.7Very low40.9Very low246 Ų246149.5 Ų149.5100%1.21278%0.775SS**  064.50-142175.6-146.200107.9
2V40.5Very low41.2Very low131 Ų131143.8 Ų143.879%0.79477%0.767SS**  trans-86.4119.1-164.31650000110.8
3T40.7Very low41.2Very low103 Ų103141.2 Ų141.263%0.63277%0.767SS**  trans57114.5148.360.70000121.2Q5T3-Q5 PolarHBondContact O-N 3.24Å
4S41.3Very low41.7Very low103 Ų103138.1 Ų138.172%0.7277%0.77SS**  trans-26.8116.6133.948.40000114.9
5Q48.9Very low42.7Very low121 Ų121134.1 Ų134.157%0.56576%0.762SS**  trans-157.946.4161.4-115.4174.814.800114.3T3 D8T3-Q5 PolarHBondContact O-N 3.24Å; Q5-D8 WeakPolarHBondContact CG-OD2 3.17Å
6W40.2Very low44.7Very low244 Ų244130 Ų13092%0.92474%0.741SS**THydrogen-bonded Turntrans-97.810.8170.9-70.284.3000114.5
7W42.3Very low47.2Very low197 Ų197124.8 Ų124.875%0.74671%0.71SS**THydrogen-bonded Turntrans-73.2-7.2156.8442.6000114.2R9 A10W7-R9 VanDerWaalsContact C-N 3.26Å; W7-R9 PolarHBondContact O-N 3.15Å; W7-A10 PolarHBondContact O-N 3.46Å
8D38.7Very low49.7Very low104 Ų104119.4 Ų119.456%0.55668%0.677SS**  trans-90.431.2179-69.1-33.2000114.3Q5 A10Q5-D8 WeakPolarHBondContact CG-OD2 3.17Å; D8-A10 PolarHBondContact O-N 2.98Å
9R40Very low52Low233 Ų233113.2 Ų113.288%0.87964%0.642SS**  trans-87.857.3136.4-75.6-168.3174.6-172.1-0.7109.2W7W7-R9 VanDerWaalsContact C-N 3.26Å; W7-R9 PolarHBondContact O-N 3.15Å
10A33.9Very low54.1Low83 Ų83109.6 Ų109.669%0.68662%0.622SS**  trans-58.8130.9155.400000108.7W7 D8W7-A10 PolarHBondContact O-N 3.46Å; D8-A10 PolarHBondContact O-N 2.98Å
11G38.3Very low56.1Low79 Ų79105 Ų10581%0.81460%0.597SS**  trans110.256.7161.300000116.9
12A43.9Very low58.5Low82 Ų8293.3 Ų93.368%0.67854%0.539SS*.  trans-102.492.2146.500000106.2A14A12-A14 PolarHBondContact O-N 3.28Å; A12-A14 VanDerWaalsContact O-N 3.08Å
13S41.1Very low61.2Low109 Ų10990 Ų9076%0.76252%0.517SS*.THydrogen-bonded Turntrans-30.9114.6172.551.40000111A15S13-A15 VanDerWaalsContact C-N 3.29Å; S13-A15 WeakPolarHBondContact O-CA 3.48Å; S13-A15 PolarHBondContact O-N 2.79Å
14A47.8Very low63.9Low98 Ų9890.4 Ų90.481%0.8151%0.507SS*.THydrogen-bonded Turntrans20.970.1173.600000112.2A12 T16A12-A14 PolarHBondContact O-N 3.28Å; A12-A14 VanDerWaalsContact O-N 3.08Å; A14-T16 PolarHBondContact O-N 3.42Å
15A56.8Low66.6Low79 Ų7985.5 Ų85.565%0.65347%0.473SS*.  trans-42.6107.7-168.400000109.2S13 N17S13-A15 VanDerWaalsContact C-N 3.29Å; S13-A15 WeakPolarHBondContact O-CA 3.48Å; S13-A15 PolarHBondContact O-N 2.79Å; A15-N17 PolarHBondContact O-N 2.99Å
16T75.1Confident68.9Low68 Ų6881.6 Ų81.642%0.41746%0.455SS..  trans-57.5111.5-175.6-56.40000106.2A14 T20 L21 Y24A14-T16 PolarHBondContact O-N 3.42Å; T16-T20 VanDerWaalsContact CG2-CB 3.49Å; T16-T20 HydrophobicContact CG2-CG2 3.44Å; T16-T20 VanDerWaalsContact CG2-CG2 3.44Å; T16-L21 HydrophobicContact CG2-CD2 4.05Å; T16-L21 HydrophobicContact CG2-CG 3.92Å; T16-Y24 HydrophobicContact CG2-CE2 4.05Å
17N87.9Confident71.6Confident41 Ų4174.8 Ų74.822%0.21943%0.433CS..  trans-63.9161.3-178.363.340.5000109.5A15 T19 T20 L21 L67A15-N17 PolarHBondContact O-N 2.99Å; N17-T19 PolarHBondContact O-N 3.24Å; N17-T19 VanDerWaalsContact O-N 3.13Å; N17-T19 PolarHBondContact OD1-N 3.32Å; N17-T19 PolarHBondContact OD1-OG1 3.08Å; N17-T20 PolarHBondContact O-N 3.42Å; N17-T20 VanDerWaalsContact O-N 3.09Å; N17-T20 PolarHBondContact OD1-N 2.91Å; N17-T20 PolarHBondContact OD1-OG1 3.34Å; N17-L21 PolarHBondContact O-N 3.44Å; N17-L21 VanDerWaalsContact O-N 3.11Å; N17-L67 HydrophobicContact CB-CD1 4.21Å
18F92.4Very high74.2Confident28 Ų2865.7 Ų65.712%0.12340%0.399CS..Hα-helixtrans-58.6-29.3-177.673.6-88.4000112.4L21 A22 L55 I63 L67 F71F18-L21 PolarHBondContact O-N 3.4Å; F18-A22 WeakPolarHBondContact O-CB 3.32Å; F18-A22 PolarHBondContact O-N 3.04Å; F18-L55 HydrophobicContact CB-CD2 3.74Å; F18-L55 WeakPolarHBondContact O-CD2 3.26Å; F18-I63 HydrophobicContact CZ-CG1 4.2Å; F18-L67 HydrophobicContact CD1-CD1 4.46Å; F18-L67 HydrophobicContact CE1-CD1 3.84Å; F18-F71 HydrophobicContact CE2-CE2 4.31Å; F18-F71 AromaticContact CE2-CZ 3.69Å; F18-F71 HydrophobicContact CE2-CZ 3.69Å; F18-F71 HydrophobicContact CZ-CE1 4.49Å; F18-F71 AromaticContact CZ-CE2 3.69Å; F18-F71 HydrophobicContact CZ-CE2 3.69Å; F18-F71 AromaticContact CZ-CZ 3.5Å; F18-F71 HydrophobicContact CZ-CZ 3.5Å
19T93Very high77Confident1 Ų160.8 Ų60.81%0.00637%0.372CS..Hα-helixtrans-66.4-41.9176.259.80000112.6N17 L21 A22 D23 F71N17-T19 PolarHBondContact O-N 3.24Å; N17-T19 VanDerWaalsContact O-N 3.13Å; N17-T19 PolarHBondContact OD1-N 3.32Å; N17-T19 PolarHBondContact OD1-OG1 3.08Å; T19-L21 VanDerWaalsContact C-N 3.34Å; T19-A22 WeakPolarHBondContact O-CB 3.36Å; T19-A22 PolarHBondContact O-N 3.27Å; T19-D23 VanDerWaalsContact O-CG 3.24Å; T19-D23 PolarHBondContact O-N 2.83Å; T19-F71 HydrophobicContact CG2-CE2 3.83Å; T19-F71 HydrophobicContact CG2-CZ 3.68Å
20T94.5Very high79.7Confident41 Ų4154 Ų5425%0.25235%0.351SS..Hα-helixtrans-69.9-33.5176.3-58.30000111.6T16 N17 A22 D23 Y24T16-T20 VanDerWaalsContact CG2-CB 3.49Å; T16-T20 HydrophobicContact CG2-CG2 3.44Å; T16-T20 VanDerWaalsContact CG2-CG2 3.44Å; N17-T20 PolarHBondContact O-N 3.42Å; N17-T20 VanDerWaalsContact O-N 3.09Å; N17-T20 PolarHBondContact OD1-N 2.91Å; N17-T20 PolarHBondContact OD1-OG1 3.34Å; T20-A22 VanDerWaalsContact C-N 3.34Å; T20-D23 PolarHBondContact O-N 2.96Å; T20-Y24 HydrophobicContact CG2-CD2 4.34Å; T20-Y24 HydrophobicContact CG2-CE2 3.76Å; T20-Y24 VanDerWaalsContact O-CD2 3.32Å; T20-Y24 WeakPolarHBondContact O-CD2 3.48Å; T20-Y24 PolarHBondContact O-N 3.49Å; T20-Y24 VanDerWaalsContact O-N 3.07Å
21L95.8Very high82.7Confident15 Ų1552.6 Ų52.68%0.07933%0.334CS..Hα-helixtrans-64.9-38.9170.7-71.5173000111.7T16 N17 F18 T19 Y24 C25 L54 L55T16-L21 HydrophobicContact CG2-CD2 4.05Å; T16-L21 HydrophobicContact CG2-CG 3.92Å; N17-L21 PolarHBondContact O-N 3.44Å; N17-L21 VanDerWaalsContact O-N 3.11Å; F18-L21 PolarHBondContact O-N 3.4Å; T19-L21 VanDerWaalsContact C-N 3.34Å; L21-Y24 HydrophobicContact CD2-CD2 4.5Å; L21-Y24 PolarHBondContact O-N 3.03Å; L21-C25 PolarHBondContact O-N 3.32Å; L21-C25 PolarHBondContact O-SG 3.11Å; L21-L54 HydrophobicContact CD1-CB 3.9Å; L21-L54 HydrophobicContact CD2-CB 4.4Å; L21-L54 HydrophobicContact CD2-CD1 4.16Å; L21-L55 HydrophobicContact CB-CD1 4.09Å; L21-L55 HydrophobicContact CB-CD2 3.65Å; L21-L55 HydrophobicContact CB-CG 3.71Å; L21-L55 HydrophobicContact CD1-CD2 4.1Å; L21-L55 HydrophobicContact CD1-CG 4.13Å
22A95.9Very high85.4Confident0 Ų048.9 Ų48.90%030%0.295CS..Hα-helixtrans-61.6-46.3174.200000111.2F18 T19 T20 Y24 C25 E26 A126 L129 K130F18-A22 WeakPolarHBondContact O-CB 3.32Å; F18-A22 PolarHBondContact O-N 3.04Å; T19-A22 WeakPolarHBondContact O-CB 3.36Å; T19-A22 PolarHBondContact O-N 3.27Å; T20-A22 VanDerWaalsContact C-N 3.34Å; A22-Y24 VanDerWaalsContact C-N 3.28Å; A22-Y24 PolarHBondContact O-N 3.45Å; A22-C25 WeakPolarHBondContact O-CB 3.34Å; A22-C25 PolarHBondContact O-N 2.89Å; A22-E26 WeakPolarHBondContact O-CG 3.44Å; A22-E26 PolarHBondContact O-N 3Å; A22-E26 VanDerWaalsContact O-N 3.08Å; A22-A126 HydrophobicContact CB-CB 4.15Å; A22-L129 HydrophobicContact CB-CB 4.39Å; A22-L129 HydrophobicContact CB-CD1 4.02Å; A22-K130 HydrophobicContact CB-CD 4.49Å; A22-K130 HydrophobicContact CB-CG 4.46Å
23D96.7Very high87.8Confident62 Ų6248.2 Ų48.233%0.33228%0.279SS..Hα-helixtrans-58.4-39.3176-60.6-28.7000111.7T19 T20 E26 H27 K130T19-D23 VanDerWaalsContact O-CG 3.24Å; T19-D23 PolarHBondContact O-N 2.83Å; T20-D23 PolarHBondContact O-N 2.96Å; D23-E26 PolarHBondContact O-N 3.19Å; D23-H27 PolarHBondContact O-N 3.29Å; D23-H27 VanDerWaalsContact O-N 3.13Å; D23-K130 IonicContact OD1-NZ 3.89Å
24Y97.1Very high90.4Very high111 Ų11149.3 Ų49.344%0.43527%0.272SS..Hα-helixtrans-66.3-39.9174.3-68.3-34.4000113T16 T20 L21 A22 E26 H27 F28T16-Y24 HydrophobicContact CG2-CE2 4.05Å; T20-Y24 HydrophobicContact CG2-CD2 4.34Å; T20-Y24 HydrophobicContact CG2-CE2 3.76Å; T20-Y24 VanDerWaalsContact O-CD2 3.32Å; T20-Y24 WeakPolarHBondContact O-CD2 3.48Å; T20-Y24 PolarHBondContact O-N 3.49Å; T20-Y24 VanDerWaalsContact O-N 3.07Å; L21-Y24 HydrophobicContact CD2-CD2 4.5Å; L21-Y24 PolarHBondContact O-N 3.03Å; A22-Y24 VanDerWaalsContact C-N 3.28Å; A22-Y24 PolarHBondContact O-N 3.45Å; Y24-E26 VanDerWaalsContact C-N 3.32Å; Y24-E26 PolarHBondContact O-N 3.25Å; Y24-H27 PolarHBondContact O-N 2.89Å; Y24-F28 WeakPolarHBondContact O-CD2 3.44Å; Y24-F28 VanDerWaalsContact O-CG 3.3Å; Y24-F28 WeakPolarHBondContact O-CG 3.48Å; Y24-F28 PolarHBondContact O-N 2.79Å
25C97.7Very high92.4Very high0 Ų045.8 Ų45.80%024%0.242CC..Hα-helixtrans-58.7-45.3175.9-71.50000111.3L21 A22 F28 A29 L48 C51 V122L21-C25 PolarHBondContact O-N 3.32Å; L21-C25 PolarHBondContact O-SG 3.11Å; A22-C25 WeakPolarHBondContact O-CB 3.34Å; A22-C25 PolarHBondContact O-N 2.89Å; C25-F28 PolarHBondContact O-N 3.03Å; C25-A29 PolarHBondContact O-N 2.97Å; C25-L48 HydrophobicContact CB-CD1 3.84Å; C25-C51 VanDerWaalsContact SG-CB 3.51Å; C25-V122 HydrophobicContact CB-CG1 3.82Å; C25-V122 WeakPolarHBondContact O-CG1 3.38Å
26E97.7Very high93.8Very high38 Ų3850.4 Ų50.418%0.17825%0.249CC..Hα-helixtrans-61.2-45.9177.7-64.3176.7138.800112.1A22 D23 Y24 F28 A29 E30 A126 K130A22-E26 WeakPolarHBondContact O-CG 3.44Å; A22-E26 PolarHBondContact O-N 3Å; A22-E26 VanDerWaalsContact O-N 3.08Å; D23-E26 PolarHBondContact O-N 3.19Å; Y24-E26 VanDerWaalsContact C-N 3.32Å; Y24-E26 PolarHBondContact O-N 3.25Å; E26-F28 VanDerWaalsContact C-N 3.3Å; E26-F28 PolarHBondContact O-N 3.26Å; E26-A29 WeakPolarHBondContact O-CB 3.46Å; E26-A29 PolarHBondContact O-N 2.99Å; E26-A29 VanDerWaalsContact O-N 3.17Å; E26-E30 PolarHBondContact O-N 3.4Å; E26-A126 HydrophobicContact CG-CB 3.31Å; E26-A126 WeakPolarHBondContact OE1-CB 3.48Å; E26-K130 WeakPolarHBondContact OE1-CE 3.18Å; E26-K130 IonicContact OE1-NZ 2.63Å; E26-K130 PolarHBondContact OE1-NZ 3.41Å; E26-K130 IonicContact OE2-NZ 2.68Å; E26-K130 PolarHBondContact OE2-NZ 3.03Å
27H97.4Very high94.4Very high102 Ų10251 Ų5147%0.47225%0.25SC..Hα-helixtrans-63.8-36.3178.1-178.358.2000112.3D23 Y24 E30 T31D23-H27 PolarHBondContact O-N 3.29Å; D23-H27 VanDerWaalsContact O-N 3.13Å; Y24-H27 PolarHBondContact O-N 2.89Å; H27-E30 IonicContact ND1-OE2 3.79Å; H27-T31 WeakPolarHBondContact O-CB 2.71Å; H27-T31 PolarHBondContact O-N 2.84Å; H27-T31 PolarHBondContact O-OG1 3.19Å
28F97.3Very high94Very high6 Ų651.4 Ų51.43%0.02625%0.252CS..Hα-helixtrans-68.9-39.8172.9-63.4-41.7000112.2Y24 C25 E26 T31 I32 P44 R47 L48Y24-F28 WeakPolarHBondContact O-CD2 3.44Å; Y24-F28 VanDerWaalsContact O-CG 3.3Å; Y24-F28 WeakPolarHBondContact O-CG 3.48Å; Y24-F28 PolarHBondContact O-N 2.79Å; C25-F28 PolarHBondContact O-N 3.03Å; E26-F28 VanDerWaalsContact C-N 3.3Å; E26-F28 PolarHBondContact O-N 3.26Å; F28-T31 PolarHBondContact O-N 3.17Å; F28-I32 HydrophobicContact CB-CD1 4.5Å; F28-I32 WeakPolarHBondContact O-CB 3.36Å; F28-I32 VanDerWaalsContact O-CD1 3.28Å; F28-I32 WeakPolarHBondContact O-CD1 3.36Å; F28-I32 WeakPolarHBondContact O-CG1 3.28Å; F28-I32 PolarHBondContact O-N 3.43Å; F28-P44 HydrophobicContact CD1-CB 4.32Å; F28-R47 HydrophobicContact CD1-CB 4.31Å; F28-R47 HydrophobicContact CD2-CB 4.12Å; F28-R47 HydrophobicContact CE1-CB 4.04Å; F28-R47 HydrophobicContact CE2-CB 3.8Å; F28-R47 HydrophobicContact CG-CB 4.39Å; F28-R47 HydrophobicContact CZ-CB 3.78Å; F28-R47 VanDerWaalsContact CZ-NE 3.34Å; F28-L48 HydrophobicContact CB-CB 3.96Å; F28-L48 HydrophobicContact CB-CD1 4.48Å; F28-L48 HydrophobicContact CD2-CB 4.32Å; F28-L48 HydrophobicContact CG-CB 4.47Å
29A97.4Very high93.6Very high0 Ų053 Ų530%027%0.271CS..Hα-helixtrans-59.9-46.1174.300000111.4C25 E26 T31 I32 I33 C119 V122 W123C25-A29 PolarHBondContact O-N 2.97Å; E26-A29 WeakPolarHBondContact O-CB 3.46Å; E26-A29 PolarHBondContact O-N 2.99Å; E26-A29 VanDerWaalsContact O-N 3.17Å; A29-T31 PolarHBondContact O-N 3.29Å; A29-I32 PolarHBondContact O-N 3.18Å; A29-I33 WeakPolarHBondContact O-CG2 3.48Å; A29-I33 PolarHBondContact O-N 2.97Å; A29-C119 HydrophobicContact CB-CB 4.11Å; A29-C119 PolarHBondContact O-SG 3.4Å; A29-C119 VanDerWaalsContact O-SG 3.38Å; A29-V122 HydrophobicContact CB-CB 4.11Å; A29-V122 HydrophobicContact CB-CG1 3.79Å; A29-W123 HydrophobicContact CB-CZ2 4.47Å
30E97Very high93.4Very high92 Ų9258.6 Ų58.643%0.4330%0.3SS..Hα-helixtrans-56.9-47.8173.1-174.5178.5-148.300111.6E26 H27 I32 I33 E34E26-E30 PolarHBondContact O-N 3.4Å; H27-E30 IonicContact ND1-OE2 3.79Å; E30-I32 VanDerWaalsContact C-N 3.31Å; E30-I32 PolarHBondContact O-N 3.5Å; E30-I33 VanDerWaalsContact O-CG2 3.28Å; E30-I33 WeakPolarHBondContact O-CG2 3.36Å; E30-I33 PolarHBondContact O-N 3.01Å; E30-E34 WeakPolarHBondContact O-CB 3.39Å; E30-E34 WeakPolarHBondContact O-CG 3.22Å; E30-E34 PolarHBondContact O-N 2.91Å; E30-E34 VanDerWaalsContact O-N 3.15Å
31T96.4Very high93.2Very high53 Ų5357.6 Ų57.633%0.32529%0.292SS..Hα-helixtrans-62.3-38177.2-56.10000112.3H27 F28 A29 C35 P44H27-T31 WeakPolarHBondContact O-CB 2.71Å; H27-T31 PolarHBondContact O-N 2.84Å; H27-T31 PolarHBondContact O-OG1 3.19Å; F28-T31 PolarHBondContact O-N 3.17Å; A29-T31 PolarHBondContact O-N 3.29Å; T31-C35 VanDerWaalsContact O-CB 3.22Å; T31-C35 WeakPolarHBondContact O-CB 3.49Å; T31-C35 PolarHBondContact O-N 3.06Å; T31-P44 HydrophobicContact CG2-CB 4.1Å; T31-P44 HydrophobicContact CG2-CG 4.1Å
32I95.4Very high92.9Very high0 Ų059.5 Ų59.50%030%0.301CS..Hα-helixtrans-70.4-43.7-178.3-72.8160000111.1F28 A29 E30 C35 P44 C45 L48 T115F28-I32 HydrophobicContact CB-CD1 4.5Å; F28-I32 WeakPolarHBondContact O-CB 3.36Å; F28-I32 VanDerWaalsContact O-CD1 3.28Å; F28-I32 WeakPolarHBondContact O-CD1 3.36Å; F28-I32 WeakPolarHBondContact O-CG1 3.28Å; F28-I32 PolarHBondContact O-N 3.43Å; A29-I32 PolarHBondContact O-N 3.18Å; E30-I32 VanDerWaalsContact C-N 3.31Å; E30-I32 PolarHBondContact O-N 3.5Å; I32-C35 PolarHBondContact O-N 3.3Å; I32-P44 HydrophobicContact CD1-CB 4.33Å; I32-P44 HydrophobicContact CG1-CB 3.81Å; I32-P44 HydrophobicContact CG1-CG 3.82Å; I32-C45 HydrophobicContact CD1-CB 4.38Å; I32-L48 HydrophobicContact CD1-CB 4.3Å; I32-L48 HydrophobicContact CD1-CD2 3.68Å; I32-T115 HydrophobicContact CG2-CG2 3.5Å; I32-T115 VanDerWaalsContact CG2-CG2 3.5Å
33I94.4Very high92.8Very high68 Ų6862.6 Ų62.635%0.34933%0.327SS..Hα-helixtrans-70.5-34.5-177.3-162.866.6000112A29 E30 T115 C119 W123A29-I33 WeakPolarHBondContact O-CG2 3.48Å; A29-I33 PolarHBondContact O-N 2.97Å; E30-I33 VanDerWaalsContact O-CG2 3.28Å; E30-I33 WeakPolarHBondContact O-CG2 3.36Å; E30-I33 PolarHBondContact O-N 3.01Å; I33-T115 HydrophobicContact CD1-CG2 4.32Å; I33-C119 HydrophobicContact CB-CB 4.42Å; I33-C119 HydrophobicContact CD1-CB 4.5Å; I33-W123 HydrophobicContact CG2-CH2 4.05Å; I33-W123 HydrophobicContact CG2-CZ2 4.19Å
34E94.4Very high92.7Very high132 Ų13260.3 Ų60.362%0.61732%0.315SS*.Hα-helixtrans-78.5-22.2177.2-68.1-175159.800113.2E30 H36E30-E34 WeakPolarHBondContact O-CB 3.39Å; E30-E34 WeakPolarHBondContact O-CG 3.22Å; E30-E34 PolarHBondContact O-N 2.91Å; E30-E34 VanDerWaalsContact O-N 3.15Å; E34-H36 PolarHBondContact O-N 2.81Å
35C90.9Very high92.6Very high24 Ų2455.2 Ų55.216%0.16230%0.296CS..  trans-77127179.9-1690000110.4T31 I32 D37 K41T31-C35 VanDerWaalsContact O-CB 3.22Å; T31-C35 WeakPolarHBondContact O-CB 3.49Å; T31-C35 PolarHBondContact O-N 3.06Å; I32-C35 PolarHBondContact O-N 3.3Å; C35-D37 PolarHBondContact SG-O 3.17Å; C35-D37 VanDerWaalsContact SG-O 3.42Å; C35-K41 HydrophobicContact CB-CG 3.71Å; C35-K41 WeakPolarHBondContact O-CE 3.3Å
36H86.5Confident92.5Very high176 Ų17656.3 Ų56.382%0.81531%0.307SS*.  trans-101.3-8.8175.2-58.9-46.5000113.4E34E34-H36 PolarHBondContact O-N 2.81Å
37D87.5Confident92.5Very high80 Ų8061.7 Ų61.743%0.42833%0.326SS..  trans-93.1114.9178.3-175.2-59.3000110.4C35 A39 L40 K41C35-D37 PolarHBondContact SG-O 3.17Å; C35-D37 VanDerWaalsContact SG-O 3.42Å; D37-A39 VanDerWaalsContact C-N 3.28Å; D37-A39 PolarHBondContact O-N 3.07Å; D37-A39 WeakPolarHBondContact OD1-CA 3.24Å; D37-A39 WeakPolarHBondContact OD1-CB 3.32Å; D37-A39 PolarHBondContact OD1-N 3.31Å; D37-L40 HydrophobicContact CB-CB 4.04Å; D37-L40 HydrophobicContact CB-CD1 3.94Å; D37-L40 HydrophobicContact CB-CG 3.97Å; D37-L40 PolarHBondContact O-N 3.36Å; D37-L40 VanDerWaalsContact O-N 3.15Å; D37-L40 PolarHBondContact OD1-N 3.13Å; D37-K41 WeakPolarHBondContact O-CG 3.49Å; D37-K41 PolarHBondContact O-N 2.87Å
38L79.4Confident92.5Very high51 Ų5156.9 Ų56.927%0.26730%0.303SS..Hα-helixtrans-56.6-38.1-179.7173.456.1000113.1E111L38-E111 WeakPolarHBondContact CD1-OE1 3.2Å; L38-E111 WeakPolarHBondContact CD1-OE2 3.48Å
39A84Confident92.4Very high62 Ų6257.4 Ų57.451%0.51231%0.308SS..Hα-helixtrans-70.4-38.4179.800000111.3D37 M42D37-A39 VanDerWaalsContact C-N 3.28Å; D37-A39 PolarHBondContact O-N 3.07Å; D37-A39 WeakPolarHBondContact OD1-CA 3.24Å; D37-A39 WeakPolarHBondContact OD1-CB 3.32Å; D37-A39 PolarHBondContact OD1-N 3.31Å; A39-M42 WeakPolarHBondContact O-CB 3Å; A39-M42 PolarHBondContact O-N 3.45Å
40L89Confident92.4Very high117 Ų11761.3 Ų61.361%0.61333%0.332SS*.Hα-helixtrans-71-32.9177.6-63.2-178.3000112.7D37 M42 P44D37-L40 HydrophobicContact CB-CB 4.04Å; D37-L40 HydrophobicContact CB-CD1 3.94Å; D37-L40 HydrophobicContact CB-CG 3.97Å; D37-L40 PolarHBondContact O-N 3.36Å; D37-L40 VanDerWaalsContact O-N 3.15Å; D37-L40 PolarHBondContact OD1-N 3.13Å; L40-M42 PolarHBondContact O-N 3.06Å; L40-P44 WeakPolarHBondContact O-CD 3.34Å
41K89.1Confident92.3Very high20 Ų2057.6 Ų57.69%0.08732%0.316CS..Hα-helixtrans-59.9-26.4174.7-76.1-179.7-171.5177.60114.3C35 D37 A43 P44 C45 E111C35-K41 HydrophobicContact CB-CG 3.71Å; C35-K41 WeakPolarHBondContact O-CE 3.3Å; D37-K41 WeakPolarHBondContact O-CG 3.49Å; D37-K41 PolarHBondContact O-N 2.87Å; K41-A43 VanDerWaalsContact C-N 3.31Å; K41-A43 PolarHBondContact O-N 3.48Å; K41-P44 WeakPolarHBondContact O-CD 3.28Å; K41-P44 VanDerWaalsContact O-CG 3.28Å; K41-P44 WeakPolarHBondContact O-CG 3.3Å; K41-C45 WeakPolarHBondContact O-CB 3.44Å; K41-C45 PolarHBondContact O-N 3.17Å; K41-C45 PolarHBondContact O-SG 3.47Å; K41-E111 IonicContact NZ-OE1 3.26Å; K41-E111 PolarHBondContact NZ-OE1 2.95Å
42M90.2Very high92.4Very high56 Ų5655 Ų5528%0.27630%0.3SS..Hα-helixtrans-60.7-39.7-175-69.9-62.3-65.200113A39 L40 G46 L102 R104A39-M42 WeakPolarHBondContact O-CB 3Å; A39-M42 PolarHBondContact O-N 3.45Å; L40-M42 PolarHBondContact O-N 3.06Å; M42-G46 PolarHBondContact O-N 3.27Å; M42-L102 HydrophobicContact CE-CB 4.07Å; M42-L102 HydrophobicContact CE-CD2 3.37Å; M42-L102 HydrophobicContact CE-CG 4.33Å; M42-L102 WeakPolarHBondContact CE-O 3.35Å; M42-L102 HydrophobicContact SD-CD2 3.88Å; M42-R104 HydrophobicContact CE-CG 4.44Å; M42-R104 HydrophobicContact SD-CG 4.06Å
43A94.1Very high92.4Very high65 Ų6557.7 Ų57.754%0.53732%0.322SS..Hα-helixtrans-65.2-53.5-178.800000112.7K41 G46 R47K41-A43 VanDerWaalsContact C-N 3.31Å; K41-A43 PolarHBondContact O-N 3.48Å; A43-G46 PolarHBondContact O-N 2.91Å; A43-R47 WeakPolarHBondContact O-CG 3.11Å; A43-R47 PolarHBondContact O-N 3.27Å
44P94.3Very high92.4Very high13 Ų1359 Ų598%0.08433%0.329CS..Hα-helixtrans-66.2-34.917627.8-35.6000112.5F28 T31 I32 L40 K41 G46 R47 L48F28-P44 HydrophobicContact CD1-CB 4.32Å; T31-P44 HydrophobicContact CG2-CB 4.1Å; T31-P44 HydrophobicContact CG2-CG 4.1Å; I32-P44 HydrophobicContact CD1-CB 4.33Å; I32-P44 HydrophobicContact CG1-CB 3.81Å; I32-P44 HydrophobicContact CG1-CG 3.82Å; L40-P44 WeakPolarHBondContact O-CD 3.34Å; K41-P44 WeakPolarHBondContact O-CD 3.28Å; K41-P44 VanDerWaalsContact O-CG 3.28Å; K41-P44 WeakPolarHBondContact O-CG 3.3Å; P44-G46 VanDerWaalsContact C-N 3.33Å; P44-G46 PolarHBondContact O-N 2.85Å; P44-R47 PolarHBondContact O-N 3.41Å; P44-L48 VanDerWaalsContact O-CB 3.3Å; P44-L48 WeakPolarHBondContact O-CB 3.36Å; P44-L48 PolarHBondContact O-N 3.42Å
45C95.3Very high92.5Very high5 Ų552.7 Ų52.73%0.03430%0.3CS..Hα-helixtrans-59.7-41.5172.8-74.10000112.6I32 K41 S49 L102I32-C45 HydrophobicContact CD1-CB 4.38Å; K41-C45 WeakPolarHBondContact O-CB 3.44Å; K41-C45 PolarHBondContact O-N 3.17Å; K41-C45 PolarHBondContact O-SG 3.47Å; C45-S49 WeakPolarHBondContact O-CB 3.45Å; C45-S49 PolarHBondContact O-N 3.34Å; C45-S49 PolarHBondContact O-OG 2.66Å; C45-L102 HydrophobicContact CB-CD2 3.71Å; C45-L102 HydrophobicContact CB-CG 4.13Å
46G95.5Very high92.6Very high23 Ų2357.1 Ų57.124%0.23731%0.313CS..Hα-helixtrans-67.1-39.6175.900000112.9M42 A43 P44 S49 T50M42-G46 PolarHBondContact O-N 3.27Å; A43-G46 PolarHBondContact O-N 2.91Å; P44-G46 VanDerWaalsContact C-N 3.33Å; P44-G46 PolarHBondContact O-N 2.85Å; G46-S49 PolarHBondContact O-N 3.17Å; G46-T50 PolarHBondContact O-N 3.26Å; G46-T50 PolarHBondContact O-OG1 2.96Å
47R97Very high92.9Very high151 Ų15153 Ų5357%0.5730%0.302SS*.Hα-helixtrans-66.6-43175.6-69.3174.872.4-170.31.2111.7F28 A43 P44 T50 C51F28-R47 HydrophobicContact CD1-CB 4.31Å; F28-R47 HydrophobicContact CD2-CB 4.12Å; F28-R47 HydrophobicContact CE1-CB 4.04Å; F28-R47 HydrophobicContact CE2-CB 3.8Å; F28-R47 HydrophobicContact CG-CB 4.39Å; F28-R47 HydrophobicContact CZ-CB 3.78Å; F28-R47 VanDerWaalsContact CZ-NE 3.34Å; A43-R47 WeakPolarHBondContact O-CG 3.11Å; A43-R47 PolarHBondContact O-N 3.27Å; P44-R47 PolarHBondContact O-N 3.41Å; R47-T50 WeakPolarHBondContact O-CB 3.46Å; R47-T50 PolarHBondContact O-N 2.81Å; R47-T50 VanDerWaalsContact O-N 3.17Å; R47-C51 PolarHBondContact O-N 3.45Å
48L97.4Very high93.1Very high0 Ų051.4 Ų51.40%030%0.295CS..Hα-helixtrans-57.3-49.5172.8174.561.8000111.1C25 F28 I32 P44 T50 C51 L52 L118 V122C25-L48 HydrophobicContact CB-CD1 3.84Å; F28-L48 HydrophobicContact CB-CB 3.96Å; F28-L48 HydrophobicContact CB-CD1 4.48Å; F28-L48 HydrophobicContact CD2-CB 4.32Å; F28-L48 HydrophobicContact CG-CB 4.47Å; I32-L48 HydrophobicContact CD1-CB 4.3Å; I32-L48 HydrophobicContact CD1-CD2 3.68Å; P44-L48 VanDerWaalsContact O-CB 3.3Å; P44-L48 WeakPolarHBondContact O-CB 3.36Å; P44-L48 PolarHBondContact O-N 3.42Å; L48-T50 PolarHBondContact O-N 3.01Å; L48-C51 PolarHBondContact O-N 2.89Å; L48-C51 VanDerWaalsContact O-N 3.11Å; L48-L52 HydrophobicContact CD1-CD1 4.05Å; L48-L52 HydrophobicContact CD1-CG 4.11Å; L48-L52 HydrophobicContact CG-CD1 3.95Å; L48-L52 HydrophobicContact CG-CG 4.45Å; L48-L52 WeakPolarHBondContact O-CG 3.42Å; L48-L52 PolarHBondContact O-N 3.15Å; L48-L118 HydrophobicContact CD2-CD1 4.3Å; L48-L118 HydrophobicContact CD2-CD2 3.9Å; L48-L118 HydrophobicContact CD2-CG 4.17Å; L48-V122 HydrophobicContact CD1-CG1 4.01Å; L48-V122 HydrophobicContact CD1-CG2 3.97Å; L48-V122 HydrophobicContact CD2-CG2 3.99Å; L48-V122 HydrophobicContact CG-CG2 4.47Å
49S96.3Very high93.7Very high17 Ų1750.5 Ų50.512%0.11929%0.29CS..Hα-helixtrans-56.4-39.6176.5-58.30000112C45 G46 A53 L95 A98C45-S49 WeakPolarHBondContact O-CB 3.45Å; C45-S49 PolarHBondContact O-N 3.34Å; C45-S49 PolarHBondContact O-OG 2.66Å; G46-S49 PolarHBondContact O-N 3.17Å; S49-A53 WeakPolarHBondContact O-CB 3.48Å; S49-A53 PolarHBondContact O-N 2.93Å; S49-L95 WeakPolarHBondContact O-CD2 3.35Å; S49-A98 VanDerWaalsContact OG-CB 3.24Å; S49-A98 WeakPolarHBondContact OG-CB 3.27Å
50T96Very high93.9Very high83 Ų8350.8 Ų50.851%0.50930%0.3SS..Hα-helixtrans-66.8-45.3176.7-55.10000111.4G46 R47 L48 A53 L54G46-T50 PolarHBondContact O-N 3.26Å; G46-T50 PolarHBondContact O-OG1 2.96Å; R47-T50 WeakPolarHBondContact O-CB 3.46Å; R47-T50 PolarHBondContact O-N 2.81Å; R47-T50 VanDerWaalsContact O-N 3.17Å; L48-T50 PolarHBondContact O-N 3.01Å; T50-A53 PolarHBondContact O-N 3.47Å; T50-L54 HydrophobicContact CG2-CD1 4.4Å; T50-L54 WeakPolarHBondContact O-CG 3.41Å; T50-L54 PolarHBondContact O-N 3.24Å
51C96.5Very high94Very high13 Ų1351.5 Ų51.59%0.08830%0.3CS..Hα-helixtrans-62.5-42.6177.2-750000112.3C25 R47 L48 A53 L54 L55C25-C51 VanDerWaalsContact SG-CB 3.51Å; R47-C51 PolarHBondContact O-N 3.45Å; L48-C51 PolarHBondContact O-N 2.89Å; L48-C51 VanDerWaalsContact O-N 3.11Å; C51-A53 PolarHBondContact O-N 3.15Å; C51-L54 WeakPolarHBondContact O-CB 3.21Å; C51-L54 PolarHBondContact O-N 2.9Å; C51-L55 WeakPolarHBondContact O-CG 3.28Å; C51-L55 PolarHBondContact O-N 3.2Å
52L96.7Very high94.1Very high0 Ų055.5 Ų55.50%033%0.328CS..Hα-helixtrans-61.1-43.7174.6-69167.3000111.5L48 L54 L55 R56 C94 L95 F125L48-L52 HydrophobicContact CD1-CD1 4.05Å; L48-L52 HydrophobicContact CD1-CG 4.11Å; L48-L52 HydrophobicContact CG-CD1 3.95Å; L48-L52 HydrophobicContact CG-CG 4.45Å; L48-L52 WeakPolarHBondContact O-CG 3.42Å; L48-L52 PolarHBondContact O-N 3.15Å; L52-L54 VanDerWaalsContact C-N 3.27Å; L52-L54 PolarHBondContact O-N 3.35Å; L52-L55 PolarHBondContact O-N 3.49Å; L52-L55 VanDerWaalsContact O-N 3.15Å; L52-R56 PolarHBondContact O-N 3.43Å; L52-C94 HydrophobicContact CD1-CB 3.58Å; L52-C94 HydrophobicContact CD2-CB 3.96Å; L52-C94 HydrophobicContact CG-CB 4.43Å; L52-L95 HydrophobicContact CB-CD2 3.59Å; L52-L95 HydrophobicContact CB-CG 3.82Å; L52-L95 HydrophobicContact CD1-CD2 4.3Å; L52-L95 HydrophobicContact CD1-CG 4.35Å; L52-F125 HydrophobicContact CD2-CD1 3.95Å; L52-F125 HydrophobicContact CD2-CE1 3.76Å
53A95.5Very high94.1Very high55 Ų5554.5 Ų54.546%0.45532%0.323SS..Hα-helixtrans-63.8-31.8176.400000113S49 T50 C51 P57S49-A53 WeakPolarHBondContact O-CB 3.48Å; S49-A53 PolarHBondContact O-N 2.93Å; T50-A53 PolarHBondContact O-N 3.47Å; C51-A53 PolarHBondContact O-N 3.15Å; A53-P57 WeakPolarHBondContact O-CD 3.34Å
54L95.6Very high93.9Very high95 Ų9553.3 Ų53.350%0.49731%0.31SS..Hα-helixtrans-74.4-33.1173.2-70172000112.8L21 T50 C51 L52 P57L21-L54 HydrophobicContact CD1-CB 3.9Å; L21-L54 HydrophobicContact CD2-CB 4.4Å; L21-L54 HydrophobicContact CD2-CD1 4.16Å; T50-L54 HydrophobicContact CG2-CD1 4.4Å; T50-L54 WeakPolarHBondContact O-CG 3.41Å; T50-L54 PolarHBondContact O-N 3.24Å; C51-L54 WeakPolarHBondContact O-CB 3.21Å; C51-L54 PolarHBondContact O-N 2.9Å; L52-L54 VanDerWaalsContact C-N 3.27Å; L52-L54 PolarHBondContact O-N 3.35Å; L54-P57 WeakPolarHBondContact O-CD 3.49Å; L54-P57 WeakPolarHBondContact O-CG 3.5Å
55L95.2Very high93.7Very high0 Ų057.9 Ų57.90%034%0.34CS..Hα-helixtrans-71.9-38.5176.4-82167.9000112.4F18 L21 C51 L52 T58 L59 F125 L129F18-L55 HydrophobicContact CB-CD2 3.74Å; F18-L55 WeakPolarHBondContact O-CD2 3.26Å; L21-L55 HydrophobicContact CB-CD1 4.09Å; L21-L55 HydrophobicContact CB-CD2 3.65Å; L21-L55 HydrophobicContact CB-CG 3.71Å; L21-L55 HydrophobicContact CD1-CD2 4.1Å; L21-L55 HydrophobicContact CD1-CG 4.13Å; C51-L55 WeakPolarHBondContact O-CG 3.28Å; C51-L55 PolarHBondContact O-N 3.2Å; L52-L55 PolarHBondContact O-N 3.49Å; L52-L55 VanDerWaalsContact O-N 3.15Å; L55-T58 WeakPolarHBondContact O-CA 3.46Å; L55-T58 WeakPolarHBondContact O-CB 3.43Å; L55-T58 PolarHBondContact O-N 2.88Å; L55-T58 PolarHBondContact O-OG1 3.41Å; L55-L59 PolarHBondContact O-N 3.02Å; L55-F125 HydrophobicContact CD1-CE1 3.88Å; L55-L129 HydrophobicContact CD1-CD1 4.04Å; L55-L129 HydrophobicContact CD2-CD1 3.95Å
56R94.6Very high93.4Very high117 Ų11764.2 Ų64.244%0.44237%0.369SS..G310 helixtrans-46.2-50.9-176.6-167.5176.8-171.7-74.3-5.8114.4L52 T58 L59 D92L52-R56 PolarHBondContact O-N 3.43Å; R56-T58 PolarHBondContact O-N 2.99Å; R56-L59 PolarHBondContact O-N 2.93Å; R56-D92 IonicContact CZ-OD1 3.65Å; R56-D92 IonicContact NE-OD1 3.53Å; R56-D92 PolarHBondContact NE-OD1 2.91Å; R56-D92 IonicContact NH2-OD1 3.4Å; R56-D92 IonicContact NH2-OD2 3.66Å; R56-D92 PolarHBondContact NH2-OD2 3.37Å
57P92.1Very high93.2Very high90 Ų9063.4 Ų63.458%0.58436%0.359SS*.G310 helixtrans-68.2-13.3178.528.1-37.1000114.4A53 L54A53-P57 WeakPolarHBondContact O-CD 3.34Å; L54-P57 WeakPolarHBondContact O-CD 3.49Å; L54-P57 WeakPolarHBondContact O-CG 3.5Å
58T92.1Very high92.9Very high46 Ų4659.1 Ų59.128%0.28235%0.347SS..G310 helixtrans-93.4-10.2-177.4710000114.1L55 R56 G60 E61L55-T58 WeakPolarHBondContact O-CA 3.46Å; L55-T58 WeakPolarHBondContact O-CB 3.43Å; L55-T58 PolarHBondContact O-N 2.88Å; L55-T58 PolarHBondContact O-OG1 3.41Å; R56-T58 PolarHBondContact O-N 2.99Å; T58-G60 VanDerWaalsContact C-N 3.33Å; T58-G60 PolarHBondContact O-N 3.36Å; T58-E61 WeakPolarHBondContact O-CB 3.33Å; T58-E61 PolarHBondContact O-N 2.99Å; T58-E61 VanDerWaalsContact O-N 3.13Å
59L91.6Very high92.5Very high32 Ų3265 Ų6517%0.16838%0.378CS..THydrogen-bonded Turntrans-66.9-32.1-170.5-61.3179.4000113.7L55 R56 A87 C91 F125 L129L55-L59 PolarHBondContact O-N 3.02Å; R56-L59 PolarHBondContact O-N 2.93Å; L59-A87 HydrophobicContact CD1-CB 4.4Å; L59-A87 HydrophobicContact CD2-CB 4.42Å; L59-C91 HydrophobicContact CD1-CB 3.74Å; L59-F125 HydrophobicContact CD1-CE2 4.32Å; L59-F125 HydrophobicContact CD1-CZ 4.22Å; L59-F125 HydrophobicContact CD2-CE2 4.02Å; L59-F125 HydrophobicContact CD2-CZ 3.82Å; L59-L129 HydrophobicContact CD2-CD2 3.51Å
60G88.7Confident92.3Very high69 Ų6971.7 Ų71.771%0.71140%0.4SS*.THydrogen-bonded Turntrans-92.7-2.8175.500000114.4T58T58-G60 VanDerWaalsContact C-N 3.33Å; T58-G60 PolarHBondContact O-N 3.36Å
61E91.3Very high92.1Very high132 Ų13267.9 Ų67.962%0.61738%0.377SS*.SBendtrans-80.9144.3-177.5-64.8-61.4150.300110.8T58T58-E61 WeakPolarHBondContact O-CB 3.33Å; T58-E61 PolarHBondContact O-N 2.99Å; T58-E61 VanDerWaalsContact O-N 3.13Å
62P90.4Very high92Very high104 Ų10468 Ų6868%0.67538%0.377SS*.PPolyproline II helixtrans-63.3145176.427.7-34.4000110.6P64P62-P64 WeakPolarHBondContact O-CD 3.39Å
63I90.2Very high91.7Very high35 Ų3569.8 Ų69.818%0.17939%0.388CS..PPolyproline II helixtrans-60.7126.6175.7-67.1174.2000109.2F18 L67 F71 R133 W134F18-I63 HydrophobicContact CZ-CG1 4.2Å; I63-L67 HydrophobicContact CG2-CB 3.89Å; I63-F71 HydrophobicContact CD1-CD1 4.13Å; I63-F71 HydrophobicContact CD1-CD2 4.22Å; I63-F71 HydrophobicContact CD1-CE1 4.41Å; I63-F71 HydrophobicContact CD1-CG 4.03Å; I63-F71 HydrophobicContact CG2-CD2 4.04Å; I63-F71 HydrophobicContact CG2-CE2 4.36Å; I63-R133 HydrophobicContact CD1-CB 4.29Å; I63-R133 HydrophobicContact CD1-CG 3.63Å; I63-W134 HydrophobicContact CB-CH2 3.99Å; I63-W134 HydrophobicContact CB-CZ3 4.44Å; I63-W134 HydrophobicContact CD1-CH2 3.76Å; I63-W134 HydrophobicContact CD1-CZ3 3.81Å; I63-W134 HydrophobicContact CG1-CH2 4.36Å; I63-W134 HydrophobicContact CG2-CH2 4.33Å; I63-W134 HydrophobicContact CG2-CZ3 4.34Å
64P90.3Very high91.6Very high40 Ų4072.5 Ų72.526%0.2640%0.395SS..PPolyproline II helixtrans-54.1139.9177.6-28.534.5000112.4P62 H66 L67P62-P64 WeakPolarHBondContact O-CD 3.39Å; P64-H66 WeakPolarHBondContact CB-CE1 3.45Å; P64-H66 PolarHBondContact O-N 3.01Å; P64-H66 VanDerWaalsContact O-N 3.07Å; P64-L67 HydrophobicContact CB-CD1 4.37Å; P64-L67 HydrophobicContact CB-CG 4.4Å; P64-L67 HydrophobicContact CG-CD1 4.15Å; P64-L67 PolarHBondContact O-N 3.5Å
65P89.1Confident91.2Very high109 Ų10973.6 Ų73.671%0.70841%0.405SS*.G310 helixtrans-54.5-36-175-29.835.3000114.8L67 I68P65-L67 PolarHBondContact O-N 3.23Å; P65-I68 HydrophobicContact CB-CD1 4.47Å; P65-I68 PolarHBondContact O-N 3.4Å
66H88.7Confident90.5Very high138 Ų13876.8 Ų76.864%0.63942%0.422SS*.G310 helixtrans-72-8.3179.569.2-88.8000114.1P64P64-H66 WeakPolarHBondContact CB-CE1 3.45Å; P64-H66 PolarHBondContact O-N 3.01Å; P64-H66 VanDerWaalsContact O-N 3.07Å
67L91.2Very high89.8Confident6 Ų675.4 Ų75.43%0.03143%0.428CS..G310 helixtrans-102.2-13.1175.6-62.2-179.4000112.8N17 F18 I63 P64 P65 D69 R70 F71N17-L67 HydrophobicContact CB-CD1 4.21Å; F18-L67 HydrophobicContact CD1-CD1 4.46Å; F18-L67 HydrophobicContact CE1-CD1 3.84Å; I63-L67 HydrophobicContact CG2-CB 3.89Å; P64-L67 HydrophobicContact CB-CD1 4.37Å; P64-L67 HydrophobicContact CB-CG 4.4Å; P64-L67 HydrophobicContact CG-CD1 4.15Å; P64-L67 PolarHBondContact O-N 3.5Å; P65-L67 PolarHBondContact O-N 3.23Å; L67-D69 PolarHBondContact O-N 3.21Å; L67-D69 VanDerWaalsContact O-N 3.14Å; L67-R70 WeakPolarHBondContact O-CB 3.46Å; L67-R70 PolarHBondContact O-N 3.13Å; L67-F71 HydrophobicContact CB-CD2 4.31Å; L67-F71 HydrophobicContact CB-CE2 4.33Å; L67-F71 WeakPolarHBondContact O-CD2 3.32Å; L67-F71 PolarHBondContact O-N 2.87Å
68I90.9Very high89.1Confident61 Ų6179.3 Ų79.331%0.31344%0.444SS..G310 helixtrans-52.5-41.8-175.1-68.2175.2000112P65 R70 F71 T72 W134P65-I68 HydrophobicContact CB-CD1 4.47Å; P65-I68 PolarHBondContact O-N 3.4Å; I68-R70 VanDerWaalsContact C-N 3.26Å; I68-R70 PolarHBondContact O-N 2.62Å; I68-F71 CarbonylContact O-C 3.53Å; I68-F71 PolarHBondContact O-N 3.14Å; I68-T72 PolarHBondContact O-N 3.09Å; I68-T72 VanDerWaalsContact O-N 3.07Å; I68-T72 PolarHBondContact O-OG1 3.11Å; I68-W134 HydrophobicContact CB-CZ3 4.43Å; I68-W134 HydrophobicContact CG1-CH2 4.27Å; I68-W134 HydrophobicContact CG1-CZ3 4.27Å; I68-W134 HydrophobicContact CG2-CE3 4.12Å; I68-W134 HydrophobicContact CG2-CZ3 4.21Å
69D90.5Very high88.2Confident123 Ų12382.8 Ų82.866%0.65847%0.465SS*.G310 helixtrans-61.4-33.1179.1-70.8-28.4000112.8L67 F71 T72L67-D69 PolarHBondContact O-N 3.21Å; L67-D69 VanDerWaalsContact O-N 3.14Å; D69-F71 VanDerWaalsContact C-N 3.26Å; D69-F71 PolarHBondContact O-N 3.37Å; D69-T72 PolarHBondContact O-N 2.99Å
70R90.3Very high87Confident157 Ų15788.8 Ų88.859%0.59250%0.496SS*.G310 helixtrans-70-25.2176.8-65.8-179.464168.2-2112.9L67 I68L67-R70 WeakPolarHBondContact O-CB 3.46Å; L67-R70 PolarHBondContact O-N 3.13Å; I68-R70 VanDerWaalsContact C-N 3.26Å; I68-R70 PolarHBondContact O-N 2.62Å
71F92.5Very high86.1Confident4 Ų488.6 Ų88.62%0.01848%0.483CS..G310 helixtrans-99.91.1-178.5-76.3-84.1000112.8F18 T19 I63 L67 I68 D69 L129 A131 R133 W134F18-F71 HydrophobicContact CE2-CE2 4.31Å; F18-F71 AromaticContact CE2-CZ 3.69Å; F18-F71 HydrophobicContact CE2-CZ 3.69Å; F18-F71 HydrophobicContact CZ-CE1 4.49Å; F18-F71 AromaticContact CZ-CE2 3.69Å; F18-F71 HydrophobicContact CZ-CE2 3.69Å; F18-F71 AromaticContact CZ-CZ 3.5Å; F18-F71 HydrophobicContact CZ-CZ 3.5Å; T19-F71 HydrophobicContact CG2-CE2 3.83Å; T19-F71 HydrophobicContact CG2-CZ 3.68Å; I63-F71 HydrophobicContact CD1-CD1 4.13Å; I63-F71 HydrophobicContact CD1-CD2 4.22Å; I63-F71 HydrophobicContact CD1-CE1 4.41Å; I63-F71 HydrophobicContact CD1-CG 4.03Å; I63-F71 HydrophobicContact CG2-CD2 4.04Å; I63-F71 HydrophobicContact CG2-CE2 4.36Å; L67-F71 HydrophobicContact CB-CD2 4.31Å; L67-F71 HydrophobicContact CB-CE2 4.33Å; L67-F71 WeakPolarHBondContact O-CD2 3.32Å; L67-F71 PolarHBondContact O-N 2.87Å; I68-F71 CarbonylContact O-C 3.53Å; I68-F71 PolarHBondContact O-N 3.14Å; D69-F71 VanDerWaalsContact C-N 3.26Å; D69-F71 PolarHBondContact O-N 3.37Å; F71-L129 WeakPolarHBondContact CE1-O 3.33Å; F71-L129 WeakPolarHBondContact CZ-O 3.39Å; F71-A131 WeakPolarHBondContact CD1-O 3.41Å; F71-A131 WeakPolarHBondContact CE1-O 3.25Å; F71-R133 HydrophobicContact CB-CB 4.31Å; F71-R133 HydrophobicContact CB-CG 4.47Å; F71-R133 HydrophobicContact CD1-CG 3.93Å; F71-R133 PolarHBondContact O-N 2.88Å; F71-W134 HydrophobicContact CB-CE3 3.71Å; F71-W134 HydrophobicContact CB-CZ3 3.62Å; F71-W134 HydrophobicContact CG-CZ3 4.46Å; F71-W134 PolarHBondContact O-N 3.31Å
72T93.5Very high85.5Confident16 Ų1691.9 Ų91.910%0.09850%0.498CS..EExtended strand (participates in β ladder)trans-102.1117.6176.5-55.20000108.9I68 D69 W134 R136 V141I68-T72 PolarHBondContact O-N 3.09Å; I68-T72 VanDerWaalsContact O-N 3.07Å; I68-T72 PolarHBondContact O-OG1 3.11Å; D69-T72 PolarHBondContact O-N 2.99Å; T72-W134 WeakPolarHBondContact CA-O 3.3Å; T72-W134 HydrophobicContact CG2-CB 4.19Å; T72-R136 HydrophobicContact CG2-CB 4.18Å; T72-V141 HydrophobicContact CG2-CG1 4.03Å; T72-V141 HydrophobicContact CG2-CG2 4.32Å
73V92.2Very high85Confident36 Ų3691.5 Ų91.522%0.21849%0.486CS..EExtended strand (participates in β ladder)trans-112.1159.5177.8-62.80000111.1V75 L76 P132 W134 I135 R136V73-V75 WeakPolarHBondContact CG2-O 3.39Å; V73-L76 HydrophobicContact CG2-CD2 4.06Å; V73-P132 HydrophobicContact CB-CB 4.44Å; V73-P132 HydrophobicContact CB-CG 4.44Å; V73-P132 HydrophobicContact CG1-CB 3.86Å; V73-P132 HydrophobicContact CG1-CG 3.59Å; V73-P132 HydrophobicContact CG2-CB 3.72Å; V73-P132 HydrophobicContact CG2-CG 3.99Å; V73-W134 PolarHBondContact N-O 2.95Å; V73-I135 CarbonylContact O-C 3.52Å; V73-I135 VanDerWaalsContact O-CA 3.25Å; V73-I135 WeakPolarHBondContact O-CA 3.49Å; V73-R136 PolarHBondContact O-N 2.84Å
74D91.6Very high84.7Confident112 Ų11294.9 Ų94.960%0.59951%0.508SS*.SBendtrans-90.4-22.3174.2-59.3-48.4000112.2R136D74-R136 WeakPolarHBondContact OD1-CB 3.42Å; D74-R136 WeakPolarHBondContact OD1-CD 3.37Å; D74-R136 IonicContact OD1-NE 2.86Å
75V87.1Confident84.6Confident119 Ų11994.4 Ų94.472%0.72151%0.505SS*.SBendtrans-135.2128.9-179.7-178.40000108.6V73V73-V75 WeakPolarHBondContact CG2-O 3.39Å
76L82.1Confident84.6Confident67 Ų6795 Ų9535%0.35150%0.502SS..  trans-77.9142.6173.3-71.7173.2000110.6V73 I135 C144V73-L76 HydrophobicContact CG2-CD2 4.06Å; L76-I135 HydrophobicContact CD1-CD1 4.19Å; L76-I135 HydrophobicContact CG-CB 4.42Å; L76-I135 HydrophobicContact CG-CD1 3.85Å; L76-C144 HydrophobicContact CD2-CB 4.12Å; L76-C144 WeakPolarHBondContact CD2-SG 3.43Å
77P79.2Confident84.8Confident87 Ų8790.4 Ų90.457%0.56549%0.488SS*.  trans-64.7138.7168.727.5-31.8000110V79P77-V79 PolarHBondContact O-N 3.31Å; P77-V79 VanDerWaalsContact O-N 3.09Å
78D78Confident84.9Confident172 Ų17293.8 Ų93.892%0.9251%0.507SS*.SBendtrans-72.74.5179.8-72.8-34.5000114
79V73.4Confident85.1Confident120 Ų12094.2 Ų94.273%0.72751%0.509SS*.  trans-104.1111-171.5-174.50000110.2P77P77-V79 PolarHBondContact O-N 3.31Å; P77-V79 VanDerWaalsContact O-N 3.09Å
80L66.4Low85.3Confident157 Ų15788.6 Ų88.682%0.82248%0.479SS*.  trans-86.6122.6164.5-76.7161.2000108.8
81P69.1Low85.6Confident65 Ų6581.1 Ų81.142%0.42245%0.451SS..  trans-71.2136.9175.628.7-32.1000110.5T84 Y124P81-T84 HydrophobicContact CG-CG2 4.2Å; P81-T84 WeakPolarHBondContact O-CG2 3.36Å; P81-Y124 HydrophobicContact CB-CE2 4.22Å
82E78.2Confident85.8Confident201 Ų20183.8 Ų83.894%0.93947%0.465SS*.SBendtrans-72.2-32.8175.7-65.6-178.217600112.1
83F81.4Confident86Confident97 Ų9788.1 Ų88.143%0.42548%0.481SS..  trans-86122.1173.5-173.3-123.6000108.4P85 L90 L121 Y124F83-P85 HydrophobicContact CD1-CG 4.06Å; F83-P85 HydrophobicContact CE1-CG 3.53Å; F83-P85 HydrophobicContact CE2-CG 4.15Å; F83-P85 HydrophobicContact CZ-CB 4.27Å; F83-P85 HydrophobicContact CZ-CG 3.58Å; F83-L90 HydrophobicContact CE1-CD1 4.32Å; F83-L121 HydrophobicContact CE1-CD2 3.9Å; F83-L121 HydrophobicContact CZ-CD2 4.2Å; F83-Y124 AromaticContact CD1-CD1 3.89Å; F83-Y124 HydrophobicContact CD1-CD1 3.89Å; F83-Y124 HydrophobicContact CD1-CD2 4.46Å; F83-Y124 AromaticContact CD1-CE1 3.63Å; F83-Y124 HydrophobicContact CD1-CE1 3.63Å; F83-Y124 HydrophobicContact CD1-CE2 4.17Å; F83-Y124 HydrophobicContact CD1-CG 4.35Å; F83-Y124 AromaticContact CD1-CZ 3.79Å; F83-Y124 HydrophobicContact CE1-CD1 4.02Å; F83-Y124 AromaticContact CE1-CE1 3.97Å; F83-Y124 HydrophobicContact CE1-CE1 3.97Å; F83-Y124 PolarHBondContact O-OH 3.32Å
84T83.7Confident86.2Confident106 Ų10686.4 Ų86.465%0.6547%0.47SS*.  trans-141.756.9-176.6460000112.4P81P81-T84 HydrophobicContact CG-CG2 4.2Å; P81-T84 WeakPolarHBondContact O-CG2 3.36Å
85P87.1Confident86.5Confident29 Ų2982 Ų8219%0.18845%0.447CS..  trans-68.6155.2171.633.7-38000111.2F83 L89 L90 Y124F83-P85 HydrophobicContact CD1-CG 4.06Å; F83-P85 HydrophobicContact CE1-CG 3.53Å; F83-P85 HydrophobicContact CE2-CG 4.15Å; F83-P85 HydrophobicContact CZ-CB 4.27Å; F83-P85 HydrophobicContact CZ-CG 3.58Å; P85-L89 HydrophobicContact CB-CD2 4.48Å; P85-L90 HydrophobicContact CB-CB 4.46Å; P85-L90 HydrophobicContact CG-CB 4.05Å; P85-L90 HydrophobicContact CG-CD1 4.34Å; P85-L90 HydrophobicContact CG-CD2 4.18Å; P85-L90 HydrophobicContact CG-CG 4.44Å; P85-Y124 HydrophobicContact CG-CE1 4.23Å
86D90.3Very high86.9Confident122 Ų12278.7 Ų78.765%0.65243%0.432SS*.  trans-59.8145.4167.7-64.3-40.7000110.7D88 L89 L90D86-D88 VanDerWaalsContact C-N 3.28Å; D86-D88 PolarHBondContact O-N 3.2Å; D86-L89 HydrophobicContact CB-CB 4.28Å; D86-L89 PolarHBondContact O-N 2.91Å; D86-L89 VanDerWaalsContact O-N 3.13Å; D86-L90 WeakPolarHBondContact O-CB 3.49Å; D86-L90 PolarHBondContact O-N 3.17Å
87A91.7Very high87.6Confident42 Ų4276.8 Ų76.835%0.34742%0.421SS..Hα-helixtrans-59.1-38.9-17800000112.5L59 L90 C91 F125L59-A87 HydrophobicContact CD1-CB 4.4Å; L59-A87 HydrophobicContact CD2-CB 4.42Å; A87-L90 PolarHBondContact O-N 2.96Å; A87-C91 WeakPolarHBondContact O-CB 3.2Å; A87-C91 PolarHBondContact O-N 2.96Å; A87-F125 HydrophobicContact CB-CE2 4.46Å; A87-F125 WeakPolarHBondContact O-CE2 3.49Å
88D93.7Very high88.4Confident77 Ų7772.6 Ų72.641%0.41239%0.394SS..Hα-helixtrans-62.7-45.1176.2-65.8-71.6000111.8D86 C91 D92D86-D88 VanDerWaalsContact C-N 3.28Å; D86-D88 PolarHBondContact O-N 3.2Å; D88-C91 WeakPolarHBondContact O-CB 3.4Å; D88-C91 PolarHBondContact O-N 3.08Å; D88-D92 PolarHBondContact O-N 3.1Å
89L94.6Very high89.2Confident70 Ų7070.5 Ų70.537%0.36638%0.379SS..Hα-helixtrans-64.2-43.4179.5-178.860.9000111.2P85 D86 D92 Y93P85-L89 HydrophobicContact CB-CD2 4.48Å; D86-L89 HydrophobicContact CB-CB 4.28Å; D86-L89 PolarHBondContact O-N 2.91Å; D86-L89 VanDerWaalsContact O-N 3.13Å; L89-D92 PolarHBondContact O-N 3.05Å; L89-Y93 HydrophobicContact CD1-CD1 4.24Å; L89-Y93 HydrophobicContact CD1-CE1 3.51Å; L89-Y93 HydrophobicContact CD1-CE2 4.33Å; L89-Y93 HydrophobicContact CD2-CE2 4.22Å; L89-Y93 WeakPolarHBondContact CD2-OH 3.35Å; L89-Y93 HydrophobicContact CG-CD2 4.47Å; L89-Y93 HydrophobicContact CG-CE1 3.95Å; L89-Y93 HydrophobicContact CG-CE2 3.84Å; L89-Y93 VanDerWaalsContact O-CG 3.3Å; L89-Y93 PolarHBondContact O-N 3.35Å
90L95Very high90.1Very high5 Ų568 Ų683%0.02636%0.364CS..Hα-helixtrans-64.6-40.6176.8-179.858.2000111.9F83 P85 D86 A87 D92 Y93 C94 L121 Y124 F125F83-L90 HydrophobicContact CE1-CD1 4.32Å; P85-L90 HydrophobicContact CB-CB 4.46Å; P85-L90 HydrophobicContact CG-CB 4.05Å; P85-L90 HydrophobicContact CG-CD1 4.34Å; P85-L90 HydrophobicContact CG-CD2 4.18Å; P85-L90 HydrophobicContact CG-CG 4.44Å; D86-L90 WeakPolarHBondContact O-CB 3.49Å; D86-L90 PolarHBondContact O-N 3.17Å; A87-L90 PolarHBondContact O-N 2.96Å; L90-D92 VanDerWaalsContact C-N 3.34Å; L90-D92 PolarHBondContact O-N 3.42Å; L90-Y93 PolarHBondContact O-N 2.91Å; L90-C94 PolarHBondContact O-N 3.41Å; L90-C94 PolarHBondContact O-SG 3.3Å; L90-L121 HydrophobicContact CD1-CB 4.26Å; L90-L121 HydrophobicContact CD1-CD2 3.82Å; L90-Y124 HydrophobicContact CD1-CD1 4.33Å; L90-Y124 HydrophobicContact CD2-CD1 3.44Å; L90-Y124 VanDerWaalsContact CD2-CD1 3.44Å; L90-Y124 HydrophobicContact CD2-CE1 3.6Å; L90-F125 HydrophobicContact CB-CD2 4.32Å; L90-F125 HydrophobicContact CD2-CB 3.69Å; L90-F125 HydrophobicContact CD2-CD2 3.76Å; L90-F125 HydrophobicContact CD2-CG 4.19Å; L90-F125 HydrophobicContact CG-CB 3.91Å; L90-F125 HydrophobicContact CG-CD2 3.89Å; L90-F125 HydrophobicContact CG-CG 4.23Å
91C97.1Very high91.4Very high0 Ų060.9 Ų60.90%033%0.327CS..Hα-helixtrans-60.4-44.5173.3-169.90000111.4L59 A87 D88 Y93 C94 L95 F125L59-C91 HydrophobicContact CD1-CB 3.74Å; A87-C91 WeakPolarHBondContact O-CB 3.2Å; A87-C91 PolarHBondContact O-N 2.96Å; D88-C91 WeakPolarHBondContact O-CB 3.4Å; D88-C91 PolarHBondContact O-N 3.08Å; C91-Y93 VanDerWaalsContact C-N 3.34Å; C91-Y93 PolarHBondContact O-N 3.38Å; C91-C94 PolarHBondContact O-N 3.15Å; C91-L95 WeakPolarHBondContact O-CG 3.41Å; C91-L95 PolarHBondContact O-N 3.48Å; C91-F125 HydrophobicContact CB-CE1 4.46Å; C91-F125 HydrophobicContact CB-CE2 3.99Å; C91-F125 HydrophobicContact CB-CZ 3.75Å
92D96.5Very high92.5Very high59 Ų5960.2 Ų60.232%0.31632%0.319SS..Hα-helixtrans-65.2-35.8177.9-74.6-17.1000111.8R56 D88 L89 L90 L95 A96R56-D92 IonicContact CZ-OD1 3.65Å; R56-D92 IonicContact NE-OD1 3.53Å; R56-D92 PolarHBondContact NE-OD1 2.91Å; R56-D92 IonicContact NH2-OD1 3.4Å; R56-D92 IonicContact NH2-OD2 3.66Å; R56-D92 PolarHBondContact NH2-OD2 3.37Å; D88-D92 PolarHBondContact O-N 3.1Å; L89-D92 PolarHBondContact O-N 3.05Å; L90-D92 VanDerWaalsContact C-N 3.34Å; L90-D92 PolarHBondContact O-N 3.42Å; D92-L95 PolarHBondContact O-N 3.04Å; D92-A96 WeakPolarHBondContact O-CB 3.41Å; D92-A96 PolarHBondContact O-N 2.81Å
93Y97Very high93Very high108 Ų10853 Ų5342%0.42430%0.299SS..Hα-helixtrans-62-48.5171.6-67.7-17.1000112.5L89 L90 C91 L95 A96 L97L89-Y93 HydrophobicContact CD1-CD1 4.24Å; L89-Y93 HydrophobicContact CD1-CE1 3.51Å; L89-Y93 HydrophobicContact CD1-CE2 4.33Å; L89-Y93 HydrophobicContact CD2-CE2 4.22Å; L89-Y93 WeakPolarHBondContact CD2-OH 3.35Å; L89-Y93 HydrophobicContact CG-CD2 4.47Å; L89-Y93 HydrophobicContact CG-CE1 3.95Å; L89-Y93 HydrophobicContact CG-CE2 3.84Å; L89-Y93 VanDerWaalsContact O-CG 3.3Å; L89-Y93 PolarHBondContact O-N 3.35Å; L90-Y93 PolarHBondContact O-N 2.91Å; C91-Y93 VanDerWaalsContact C-N 3.34Å; C91-Y93 PolarHBondContact O-N 3.38Å; Y93-L95 VanDerWaalsContact C-N 3.32Å; Y93-L95 PolarHBondContact O-N 3.44Å; Y93-A96 PolarHBondContact O-N 2.97Å; Y93-L97 WeakPolarHBondContact O-CG 3.46Å; Y93-L97 PolarHBondContact O-N 3.4Å
94C97.7Very high92.8Very high0 Ų055.8 Ų55.80%031%0.307CS..Hα-helixtrans-59.9-43.5177.4-66.50000111.2L52 L90 C91 L97 A98 L118 V122L52-C94 HydrophobicContact CD1-CB 3.58Å; L52-C94 HydrophobicContact CD2-CB 3.96Å; L52-C94 HydrophobicContact CG-CB 4.43Å; L90-C94 PolarHBondContact O-N 3.41Å; L90-C94 PolarHBondContact O-SG 3.3Å; C91-C94 PolarHBondContact O-N 3.15Å; C94-L97 PolarHBondContact O-N 2.91Å; C94-A98 WeakPolarHBondContact O-CB 3.44Å; C94-A98 PolarHBondContact O-N 3.22Å; C94-L118 HydrophobicContact CB-CD1 4.15Å; C94-L118 VanDerWaalsContact O-CD1 3.32Å; C94-L118 WeakPolarHBondContact O-CD1 3.35Å; C94-V122 HydrophobicContact CB-CG2 4.21Å
95L96.8Very high92.8Very high20 Ų2055.9 Ų55.911%0.10531%0.311CS..Hα-helixtrans-62-46.6176.6-78.7168.5000112.3S49 L52 C91 D92 Y93 A98 Q99S49-L95 WeakPolarHBondContact O-CD2 3.35Å; L52-L95 HydrophobicContact CB-CD2 3.59Å; L52-L95 HydrophobicContact CB-CG 3.82Å; L52-L95 HydrophobicContact CD1-CD2 4.3Å; L52-L95 HydrophobicContact CD1-CG 4.35Å; C91-L95 WeakPolarHBondContact O-CG 3.41Å; C91-L95 PolarHBondContact O-N 3.48Å; D92-L95 PolarHBondContact O-N 3.04Å; Y93-L95 VanDerWaalsContact C-N 3.32Å; Y93-L95 PolarHBondContact O-N 3.44Å; L95-A98 PolarHBondContact O-N 3.32Å; L95-Q99 VanDerWaalsContact O-CG 3.26Å; L95-Q99 WeakPolarHBondContact O-CG 3.48Å; L95-Q99 PolarHBondContact O-N 3.46Å
96A96.7Very high92.8Very high49 Ų4956.7 Ų56.741%0.40531%0.314SS..Hα-helixtrans-61.9-45179.700000111.6D92 Y93 Q99 V100D92-A96 WeakPolarHBondContact O-CB 3.41Å; D92-A96 PolarHBondContact O-N 2.81Å; Y93-A96 PolarHBondContact O-N 2.97Å; A96-Q99 PolarHBondContact O-N 2.68Å; A96-V100 WeakPolarHBondContact O-CG2 3.35Å; A96-V100 PolarHBondContact O-N 2.94Å
97L96.4Very high92.8Very high26 Ų2656.8 Ų56.814%0.13631%0.314CS..Hα-helixtrans-64.4-43.7177.4-76.2171.2000112.2Y93 C94 Q99 V100 L101 L114 L117 L118 L121Y93-L97 WeakPolarHBondContact O-CG 3.46Å; Y93-L97 PolarHBondContact O-N 3.4Å; C94-L97 PolarHBondContact O-N 2.91Å; L97-Q99 VanDerWaalsContact C-N 3.31Å; L97-Q99 PolarHBondContact O-N 2.63Å; L97-V100 PolarHBondContact O-N 2.86Å; L97-L101 WeakPolarHBondContact O-CG 3.34Å; L97-L101 PolarHBondContact O-N 2.67Å; L97-L114 HydrophobicContact CD2-CD2 3.88Å; L97-L117 HydrophobicContact CD1-CD2 4.06Å; L97-L117 HydrophobicContact CD1-CG 3.98Å; L97-L117 HydrophobicContact CD2-CD2 4.37Å; L97-L118 HydrophobicContact CB-CB 4.23Å; L97-L118 HydrophobicContact CB-CD1 3.99Å; L97-L118 HydrophobicContact CD1-CB 4.44Å; L97-L121 HydrophobicContact CD1-CD1 3.54Å
98A95.4Very high92.7Very high0 Ų059.4 Ų59.40%033%0.327CS..Hα-helixtrans-61.3-40.7177.100000111.7S49 C94 L95 L101 L102 L118S49-A98 VanDerWaalsContact OG-CB 3.24Å; S49-A98 WeakPolarHBondContact OG-CB 3.27Å; C94-A98 WeakPolarHBondContact O-CB 3.44Å; C94-A98 PolarHBondContact O-N 3.22Å; L95-A98 PolarHBondContact O-N 3.32Å; A98-L101 PolarHBondContact O-N 3.4Å; A98-L102 WeakPolarHBondContact O-CB 3.45Å; A98-L102 WeakPolarHBondContact O-CD1 3.47Å; A98-L102 WeakPolarHBondContact O-CG 3.49Å; A98-L102 PolarHBondContact O-N 3.02Å; A98-L118 HydrophobicContact CB-CD1 4.42Å; A98-L118 HydrophobicContact CB-CD2 4Å
99Q94.2Very high92.6Very high128 Ų12863.6 Ų63.660%0.59834%0.344SS*.Hα-helixtrans-63.5-42.3174.8-72171.213.700112.6L95 A96 L97 L102 G103L95-Q99 VanDerWaalsContact O-CG 3.26Å; L95-Q99 WeakPolarHBondContact O-CG 3.48Å; L95-Q99 PolarHBondContact O-N 3.46Å; A96-Q99 PolarHBondContact O-N 2.68Å; L97-Q99 VanDerWaalsContact C-N 3.31Å; L97-Q99 PolarHBondContact O-N 2.63Å; Q99-L102 PolarHBondContact O-N 3.2Å; Q99-G103 PolarHBondContact O-N 3.5Å
100V93.9Very high92.5Very high66 Ų6663.1 Ų63.140%0.435%0.345SS..Hα-helixtrans-61.5-43.9176.8166.20000111.1A96 L97 L102 G103 L106 L114A96-V100 WeakPolarHBondContact O-CG2 3.35Å; A96-V100 PolarHBondContact O-N 2.94Å; L97-V100 PolarHBondContact O-N 2.86Å; V100-L102 PolarHBondContact O-N 2.83Å; V100-G103 PolarHBondContact O-N 3.29Å; V100-L106 HydrophobicContact CG1-CD1 4.01Å; V100-L106 HydrophobicContact CG1-CD2 4.18Å; V100-L106 HydrophobicContact CG1-CG 4.46Å; V100-L114 HydrophobicContact CG1-CD1 3.99Å
101L93.1Very high92.4Very high9 Ų964 Ų645%0.04735%0.348CS..Hα-helixtrans-65.1-38.1176.7-71.4168.6000112.3L97 A98 G103 L106 E111 L114 L118L97-L101 WeakPolarHBondContact O-CG 3.34Å; L97-L101 PolarHBondContact O-N 2.67Å; A98-L101 PolarHBondContact O-N 3.4Å; L101-G103 PolarHBondContact O-N 2.94Å; L101-L106 HydrophobicContact CD2-CD1 4.03Å; L101-E111 HydrophobicContact CD2-CG 3.83Å; L101-L114 HydrophobicContact CD2-CB 4.07Å; L101-L118 HydrophobicContact CD1-CB 4.19Å; L101-L118 HydrophobicContact CD1-CD2 3.54Å
102L92.2Very high92.2Very high50 Ų5068.2 Ų68.226%0.26237%0.374SS..Hα-helixtrans-67-20176.2-70.5167.3000113.1M42 C45 A98 Q99 V100 R104M42-L102 HydrophobicContact CE-CB 4.07Å; M42-L102 HydrophobicContact CE-CD2 3.37Å; M42-L102 HydrophobicContact CE-CG 4.33Å; M42-L102 WeakPolarHBondContact CE-O 3.35Å; M42-L102 HydrophobicContact SD-CD2 3.88Å; C45-L102 HydrophobicContact CB-CD2 3.71Å; C45-L102 HydrophobicContact CB-CG 4.13Å; A98-L102 WeakPolarHBondContact O-CB 3.45Å; A98-L102 WeakPolarHBondContact O-CD1 3.47Å; A98-L102 WeakPolarHBondContact O-CG 3.49Å; A98-L102 PolarHBondContact O-N 3.02Å; Q99-L102 PolarHBondContact O-N 3.2Å; V100-L102 PolarHBondContact O-N 2.83Å; L102-R104 VanDerWaalsContact C-N 3.28Å; L102-R104 PolarHBondContact O-N 3.48Å
103G88.3Confident92.2Very high50 Ų5070.1 Ų70.152%0.51539%0.388SS..THydrogen-bonded Turntrans-71.5-12.3-179.800000115.6Q99 V100 L101 S105Q99-G103 PolarHBondContact O-N 3.5Å; V100-G103 PolarHBondContact O-N 3.29Å; L101-G103 PolarHBondContact O-N 2.94Å; G103-S105 PolarHBondContact O-N 3.49Å
104R78.1Confident92.1Very high156 Ų15666.9 Ų66.959%0.58938%0.378SS*.  trans50.621.8-179.9-57.8-169.774.2-160.83.4116.1M42 L102M42-R104 HydrophobicContact CE-CG 4.44Å; M42-R104 HydrophobicContact SD-CG 4.06Å; L102-R104 VanDerWaalsContact C-N 3.28Å; L102-R104 PolarHBondContact O-N 3.48Å
105S82.1Confident92Very high107 Ų10767.1 Ų67.175%0.74838%0.379SS*.  trans-103.416.7-17768.90000113.8G103G103-S105 PolarHBondContact O-N 3.49Å
106L87.8Confident92Very high47 Ų4767 Ų6725%0.24638%0.383CS..SBendtrans-98.7152-174.6-62.6175.2000111.7V100 L101 T110 E111 L114V100-L106 HydrophobicContact CG1-CD1 4.01Å; V100-L106 HydrophobicContact CG1-CD2 4.18Å; V100-L106 HydrophobicContact CG1-CG 4.46Å; L101-L106 HydrophobicContact CD2-CD1 4.03Å; L106-T110 HydrophobicContact CD2-CG2 4.14Å; L106-E111 HydrophobicContact CB-CB 4.09Å; L106-E111 HydrophobicContact CD1-CB 4.24Å; L106-E111 HydrophobicContact CD1-CG 4.48Å; L106-L114 HydrophobicContact CD1-CD1 3.87Å; L106-L114 HydrophobicContact CD2-CD1 4.37Å
107L91.4Very high92Very high124 Ų12468.3 Ų68.365%0.64938%0.383SS*.  trans-67.7147164.3-65.2173.5000109.5E109 T110 E111L107-E109 VanDerWaalsContact C-N 3.26Å; L107-E109 PolarHBondContact O-N 3.3Å; L107-E109 VanDerWaalsContact O-N 3.17Å; L107-T110 PolarHBondContact O-N 2.94Å; L107-E111 PolarHBondContact O-N 3.47Å
108P89.2Confident92.1Very high97 Ų9767.1 Ų67.163%0.6338%0.376SS*.Hα-helixtrans-54.2-38.1-177-28.435.2000114.5T112P108-T112 WeakPolarHBondContact O-CB 3.36Å; P108-T112 PolarHBondContact O-N 3.31Å; P108-T112 PolarHBondContact O-OG1 2.92Å
109E91.5Very high92.2Very high164 Ų16467.1 Ų67.177%0.76638%0.376SS*.Hα-helixtrans-65.8-48.4177-66.9177.4-17600111.4L107 E111 T112 T113L107-E109 VanDerWaalsContact C-N 3.26Å; L107-E109 PolarHBondContact O-N 3.3Å; L107-E109 VanDerWaalsContact O-N 3.17Å; E109-E111 VanDerWaalsContact C-N 3.34Å; E109-E111 PolarHBondContact O-N 2.92Å; E109-T112 PolarHBondContact O-N 3.46Å; E109-T113 PolarHBondContact O-N 3.3Å; E109-T113 PolarHBondContact O-OG1 3.3Å
110T92.7Very high92.3Very high61 Ų6165.6 Ų65.637%0.37437%0.372SS..Hα-helixtrans-62.2-42.3177.1-50.80000111.6L106 L107 T112 T113 L114L106-T110 HydrophobicContact CD2-CG2 4.14Å; L107-T110 PolarHBondContact O-N 2.94Å; T110-T112 VanDerWaalsContact C-N 3.33Å; T110-T112 PolarHBondContact O-N 3.43Å; T110-T113 PolarHBondContact O-N 3.07Å; T110-L114 HydrophobicContact CG2-CD1 3.97Å; T110-L114 HydrophobicContact CG2-CG 4.25Å; T110-L114 WeakPolarHBondContact O-CB 3.38Å; T110-L114 VanDerWaalsContact O-CG 3.3Å; T110-L114 WeakPolarHBondContact O-CG 3.42Å; T110-L114 PolarHBondContact O-N 3.04Å
111E92.4Very high92.4Very high22 Ų2263.5 Ų63.510%0.10336%0.359CS..Hα-helixtrans-59.1-45.8175.5-171.7-159125.600111.2L38 K41 L101 L106 L107 E109 L114 T115L38-E111 WeakPolarHBondContact CD1-OE1 3.2Å; L38-E111 WeakPolarHBondContact CD1-OE2 3.48Å; K41-E111 IonicContact NZ-OE1 3.26Å; K41-E111 PolarHBondContact NZ-OE1 2.95Å; L101-E111 HydrophobicContact CD2-CG 3.83Å; L106-E111 HydrophobicContact CB-CB 4.09Å; L106-E111 HydrophobicContact CD1-CB 4.24Å; L106-E111 HydrophobicContact CD1-CG 4.48Å; L107-E111 PolarHBondContact O-N 3.47Å; E109-E111 VanDerWaalsContact C-N 3.34Å; E109-E111 PolarHBondContact O-N 2.92Å; E111-L114 PolarHBondContact O-N 3.46Å; E111-T115 VanDerWaalsContact O-CB 3.27Å; E111-T115 WeakPolarHBondContact O-CB 3.35Å; E111-T115 PolarHBondContact O-N 2.89Å; E111-T115 PolarHBondContact O-OG1 3.04Å
112T93.3Very high92.6Very high89 Ų8963 Ų6355%0.54636%0.357SS..Hα-helixtrans-61.2-47.4179.1-58.80000111.2P108 E109 T110 T115 G116P108-T112 WeakPolarHBondContact O-CB 3.36Å; P108-T112 PolarHBondContact O-N 3.31Å; P108-T112 PolarHBondContact O-OG1 2.92Å; E109-T112 PolarHBondContact O-N 3.46Å; T110-T112 VanDerWaalsContact C-N 3.33Å; T110-T112 PolarHBondContact O-N 3.43Å; T112-T115 WeakPolarHBondContact O-CB 3.1Å; T112-T115 PolarHBondContact O-N 3.14Å; T112-G116 PolarHBondContact O-N 3.41Å
113T95.5Very high92.8Very high100 Ų10064.6 Ų64.661%0.61336%0.359SS*.Hα-helixtrans-63.1-45.7177.9-57.50000112E109 T110 T115 G116 L117E109-T113 PolarHBondContact O-N 3.3Å; E109-T113 PolarHBondContact O-OG1 3.3Å; T110-T113 PolarHBondContact O-N 3.07Å; T113-T115 VanDerWaalsContact C-N 3.29Å; T113-T115 PolarHBondContact O-N 3.24Å; T113-G116 PolarHBondContact O-N 3.08Å; T113-L117 PolarHBondContact O-N 2.87Å
114L95.4Very high93.1Very high39 Ų3965.6 Ų65.620%0.20435%0.348CS..Hα-helixtrans-68.5-29.6178.8-67.8-177.3000112.4L97 V100 L101 L106 T110 E111 L117 L118L97-L114 HydrophobicContact CD2-CD2 3.88Å; V100-L114 HydrophobicContact CG1-CD1 3.99Å; L101-L114 HydrophobicContact CD2-CB 4.07Å; L106-L114 HydrophobicContact CD1-CD1 3.87Å; L106-L114 HydrophobicContact CD2-CD1 4.37Å; T110-L114 HydrophobicContact CG2-CD1 3.97Å; T110-L114 HydrophobicContact CG2-CG 4.25Å; T110-L114 WeakPolarHBondContact O-CB 3.38Å; T110-L114 VanDerWaalsContact O-CG 3.3Å; T110-L114 WeakPolarHBondContact O-CG 3.42Å; T110-L114 PolarHBondContact O-N 3.04Å; E111-L114 PolarHBondContact O-N 3.46Å; L114-L117 HydrophobicContact CD2-CD2 4.38Å; L114-L118 WeakPolarHBondContact O-CB 3.36Å; L114-L118 PolarHBondContact O-N 3.22Å
115T95.3Very high94Very high5 Ų558.3 Ų58.33%0.03132%0.32CS..Hα-helixtrans-63.3-49.6172-600000110.4I32 I33 E111 T112 T113 L118 C119I32-T115 HydrophobicContact CG2-CG2 3.5Å; I32-T115 VanDerWaalsContact CG2-CG2 3.5Å; I33-T115 HydrophobicContact CD1-CG2 4.32Å; E111-T115 VanDerWaalsContact O-CB 3.27Å; E111-T115 WeakPolarHBondContact O-CB 3.35Å; E111-T115 PolarHBondContact O-N 2.89Å; E111-T115 PolarHBondContact O-OG1 3.04Å; T112-T115 WeakPolarHBondContact O-CB 3.1Å; T112-T115 PolarHBondContact O-N 3.14Å; T113-T115 VanDerWaalsContact C-N 3.29Å; T113-T115 PolarHBondContact O-N 3.24Å; T115-L118 PolarHBondContact O-N 2.87Å; T115-C119 PolarHBondContact O-N 2.84Å; T115-C119 PolarHBondContact O-SG 3.13Å
116G96.9Very high94.6Very high17 Ų1753.2 Ų53.218%0.17529%0.285CS..Hα-helixtrans-57.1-50.6175.400000112T112 T113 L118 C119 D120T112-G116 PolarHBondContact O-N 3.41Å; T113-G116 PolarHBondContact O-N 3.08Å; G116-L118 PolarHBondContact O-N 3.21Å; G116-C119 PolarHBondContact O-N 3.33Å; G116-C119 VanDerWaalsContact O-N 3.1Å; G116-D120 PolarHBondContact O-N 3.27Å
117L97.1Very high94.8Very high78 Ų7855.7 Ų55.741%0.40830%0.298SS..Hα-helixtrans-58.6-43.7178.4179.262.2000112.7L97 T113 L114 C119 L121L97-L117 HydrophobicContact CD1-CD2 4.06Å; L97-L117 HydrophobicContact CD1-CG 3.98Å; L97-L117 HydrophobicContact CD2-CD2 4.37Å; T113-L117 PolarHBondContact O-N 2.87Å; L114-L117 HydrophobicContact CD2-CD2 4.38Å; L117-C119 VanDerWaalsContact C-N 3.32Å; L117-C119 PolarHBondContact O-N 3.48Å; L117-L121 HydrophobicContact CD1-CD1 3.99Å; L117-L121 HydrophobicContact CD1-CG 4.09Å; L117-L121 HydrophobicContact CG-CD1 4Å; L117-L121 HydrophobicContact CG-CG 4.47Å; L117-L121 WeakPolarHBondContact O-CB 3.16Å; L117-L121 VanDerWaalsContact O-CG 3.24Å; L117-L121 WeakPolarHBondContact O-CG 3.24Å; L117-L121 PolarHBondContact O-N 3.36Å
118L97.5Very high94.8Very high0 Ų051.3 Ų51.30%028%0.283CS..Hα-helixtrans-59.5-45.2175.717362.3000111L48 C94 L97 A98 L101 L114 T115 G116 L121 V122L48-L118 HydrophobicContact CD2-CD1 4.3Å; L48-L118 HydrophobicContact CD2-CD2 3.9Å; L48-L118 HydrophobicContact CD2-CG 4.17Å; C94-L118 HydrophobicContact CB-CD1 4.15Å; C94-L118 VanDerWaalsContact O-CD1 3.32Å; C94-L118 WeakPolarHBondContact O-CD1 3.35Å; L97-L118 HydrophobicContact CB-CB 4.23Å; L97-L118 HydrophobicContact CB-CD1 3.99Å; L97-L118 HydrophobicContact CD1-CB 4.44Å; A98-L118 HydrophobicContact CB-CD1 4.42Å; A98-L118 HydrophobicContact CB-CD2 4Å; L101-L118 HydrophobicContact CD1-CB 4.19Å; L101-L118 HydrophobicContact CD1-CD2 3.54Å; L114-L118 WeakPolarHBondContact O-CB 3.36Å; L114-L118 PolarHBondContact O-N 3.22Å; T115-L118 PolarHBondContact O-N 2.87Å; G116-L118 PolarHBondContact O-N 3.21Å; L118-L121 PolarHBondContact O-N 2.9Å; L118-V122 HydrophobicContact CD1-CG2 3.86Å; L118-V122 HydrophobicContact CG-CG2 4.34Å; L118-V122 WeakPolarHBondContact O-CB 3.41Å; L118-V122 WeakPolarHBondContact O-CG2 3.42Å; L118-V122 PolarHBondContact O-N 3.36Å
119C97.5Very high95Very high0 Ų047.2 Ų47.20%026%0.256CS..Hα-helixtrans-65.3-45.9-178.1-62.20000111.4A29 I33 T115 G116 L117 L121 V122 W123A29-C119 HydrophobicContact CB-CB 4.11Å; A29-C119 PolarHBondContact O-SG 3.4Å; A29-C119 VanDerWaalsContact O-SG 3.38Å; I33-C119 HydrophobicContact CB-CB 4.42Å; I33-C119 HydrophobicContact CD1-CB 4.5Å; T115-C119 PolarHBondContact O-N 2.84Å; T115-C119 PolarHBondContact O-SG 3.13Å; G116-C119 PolarHBondContact O-N 3.33Å; G116-C119 VanDerWaalsContact O-N 3.1Å; L117-C119 VanDerWaalsContact C-N 3.32Å; L117-C119 PolarHBondContact O-N 3.48Å; C119-L121 VanDerWaalsContact C-N 3.33Å; C119-L121 PolarHBondContact O-N 3.01Å; C119-V122 PolarHBondContact O-N 2.88Å; C119-V122 VanDerWaalsContact O-N 3.17Å; C119-W123 HydrophobicContact CB-CE3 4.44Å; C119-W123 HydrophobicContact CB-CH2 4.15Å; C119-W123 HydrophobicContact CB-CZ2 4.37Å; C119-W123 HydrophobicContact CB-CZ3 4.17Å; C119-W123 PolarHBondContact O-N 2.94Å
120D96.6Very high95Very high96 Ų9642.4 Ų42.451%0.51323%0.232SC..Hα-helixtrans-58.5-45176.3-69.1-24.1000111.6G116 W123 Y124G116-D120 PolarHBondContact O-N 3.27Å; D120-W123 PolarHBondContact O-N 3.29Å; D120-Y124 VanDerWaalsContact O-CB 3.28Å; D120-Y124 WeakPolarHBondContact O-CB 3.41Å; D120-Y124 PolarHBondContact O-N 3.13Å
121L96.9Very high95Very high22 Ų2241.2 Ų41.212%0.11523%0.229CC..Hα-helixtrans-67-35.9177.6-70.2174.4000112.5F83 L90 L97 L117 L118 C119 F125F83-L121 HydrophobicContact CE1-CD2 3.9Å; F83-L121 HydrophobicContact CZ-CD2 4.2Å; L90-L121 HydrophobicContact CD1-CB 4.26Å; L90-L121 HydrophobicContact CD1-CD2 3.82Å; L97-L121 HydrophobicContact CD1-CD1 3.54Å; L117-L121 HydrophobicContact CD1-CD1 3.99Å; L117-L121 HydrophobicContact CD1-CG 4.09Å; L117-L121 HydrophobicContact CG-CD1 4Å; L117-L121 HydrophobicContact CG-CG 4.47Å; L117-L121 WeakPolarHBondContact O-CB 3.16Å; L117-L121 VanDerWaalsContact O-CG 3.24Å; L117-L121 WeakPolarHBondContact O-CG 3.24Å; L117-L121 PolarHBondContact O-N 3.36Å; L118-L121 PolarHBondContact O-N 2.9Å; C119-L121 VanDerWaalsContact C-N 3.33Å; C119-L121 PolarHBondContact O-N 3.01Å; L121-F125 WeakPolarHBondContact O-CB 3.5Å; L121-F125 PolarHBondContact O-N 2.92Å
122V97.9Very high94.9Very high0 Ų042 Ų420%024%0.236CC..Hα-helixtrans-67.9-44.3177166.60000111.4C25 A29 L48 C94 L118 C119 F125 A126C25-V122 HydrophobicContact CB-CG1 3.82Å; C25-V122 WeakPolarHBondContact O-CG1 3.38Å; A29-V122 HydrophobicContact CB-CB 4.11Å; A29-V122 HydrophobicContact CB-CG1 3.79Å; L48-V122 HydrophobicContact CD1-CG1 4.01Å; L48-V122 HydrophobicContact CD1-CG2 3.97Å; L48-V122 HydrophobicContact CD2-CG2 3.99Å; L48-V122 HydrophobicContact CG-CG2 4.47Å; C94-V122 HydrophobicContact CB-CG2 4.21Å; L118-V122 HydrophobicContact CD1-CG2 3.86Å; L118-V122 HydrophobicContact CG-CG2 4.34Å; L118-V122 WeakPolarHBondContact O-CB 3.41Å; L118-V122 WeakPolarHBondContact O-CG2 3.42Å; L118-V122 PolarHBondContact O-N 3.36Å; C119-V122 PolarHBondContact O-N 2.88Å; C119-V122 VanDerWaalsContact O-N 3.17Å; V122-F125 PolarHBondContact O-N 3.48Å; V122-A126 WeakPolarHBondContact O-CB 3.2Å; V122-A126 PolarHBondContact O-N 3.07Å
123W96.4Very high94.8Very high82 Ų8242.1 Ų42.131%0.31123%0.226SC..Hα-helixtrans-62.8-47.6174.9-66.4-40000111.1A29 I33 C119 D120 F125 A126 D127A29-W123 HydrophobicContact CB-CZ2 4.47Å; I33-W123 HydrophobicContact CG2-CH2 4.05Å; I33-W123 HydrophobicContact CG2-CZ2 4.19Å; C119-W123 HydrophobicContact CB-CE3 4.44Å; C119-W123 HydrophobicContact CB-CH2 4.15Å; C119-W123 HydrophobicContact CB-CZ2 4.37Å; C119-W123 HydrophobicContact CB-CZ3 4.17Å; C119-W123 PolarHBondContact O-N 2.94Å; D120-W123 PolarHBondContact O-N 3.29Å; W123-F125 VanDerWaalsContact C-N 3.29Å; W123-F125 PolarHBondContact O-N 2.95Å; W123-A126 PolarHBondContact O-N 3.05Å; W123-D127 WeakPolarHBondContact O-CB 3.28Å; W123-D127 PolarHBondContact O-N 2.78Å
124Y94.7Very high94.7Very high71 Ų7140.3 Ų40.328%0.27821%0.208SC..Hα-helixtrans-58.1-42175.8178.4-91.4000112P81 F83 P85 L90 D120 G128P81-Y124 HydrophobicContact CB-CE2 4.22Å; F83-Y124 AromaticContact CD1-CD1 3.89Å; F83-Y124 HydrophobicContact CD1-CD1 3.89Å; F83-Y124 HydrophobicContact CD1-CD2 4.46Å; F83-Y124 AromaticContact CD1-CE1 3.63Å; F83-Y124 HydrophobicContact CD1-CE1 3.63Å; F83-Y124 HydrophobicContact CD1-CE2 4.17Å; F83-Y124 HydrophobicContact CD1-CG 4.35Å; F83-Y124 AromaticContact CD1-CZ 3.79Å; F83-Y124 HydrophobicContact CE1-CD1 4.02Å; F83-Y124 AromaticContact CE1-CE1 3.97Å; F83-Y124 HydrophobicContact CE1-CE1 3.97Å; F83-Y124 PolarHBondContact O-OH 3.32Å; P85-Y124 HydrophobicContact CG-CE1 4.23Å; L90-Y124 HydrophobicContact CD1-CD1 4.33Å; L90-Y124 HydrophobicContact CD2-CD1 3.44Å; L90-Y124 VanDerWaalsContact CD2-CD1 3.44Å; L90-Y124 HydrophobicContact CD2-CE1 3.6Å; D120-Y124 VanDerWaalsContact O-CB 3.28Å; D120-Y124 WeakPolarHBondContact O-CB 3.41Å; D120-Y124 PolarHBondContact O-N 3.13Å; Y124-G128 PolarHBondContact O-N 2.78Å
125F95.1Very high94.6Very high4 Ų440.1 Ų40.12%0.01821%0.207CC..Hα-helixtrans-63.5-48.6175.6178.4-122.7000112.5L52 L55 L59 A87 L90 C91 L121 V122 W123 G128 L129L52-F125 HydrophobicContact CD2-CD1 3.95Å; L52-F125 HydrophobicContact CD2-CE1 3.76Å; L55-F125 HydrophobicContact CD1-CE1 3.88Å; L59-F125 HydrophobicContact CD1-CE2 4.32Å; L59-F125 HydrophobicContact CD1-CZ 4.22Å; L59-F125 HydrophobicContact CD2-CE2 4.02Å; L59-F125 HydrophobicContact CD2-CZ 3.82Å; A87-F125 HydrophobicContact CB-CE2 4.46Å; A87-F125 WeakPolarHBondContact O-CE2 3.49Å; L90-F125 HydrophobicContact CB-CD2 4.32Å; L90-F125 HydrophobicContact CD2-CB 3.69Å; L90-F125 HydrophobicContact CD2-CD2 3.76Å; L90-F125 HydrophobicContact CD2-CG 4.19Å; L90-F125 HydrophobicContact CG-CB 3.91Å; L90-F125 HydrophobicContact CG-CD2 3.89Å; L90-F125 HydrophobicContact CG-CG 4.23Å; C91-F125 HydrophobicContact CB-CE1 4.46Å; C91-F125 HydrophobicContact CB-CE2 3.99Å; C91-F125 HydrophobicContact CB-CZ 3.75Å; L121-F125 WeakPolarHBondContact O-CB 3.5Å; L121-F125 PolarHBondContact O-N 2.92Å; V122-F125 PolarHBondContact O-N 3.48Å; W123-F125 VanDerWaalsContact C-N 3.29Å; W123-F125 PolarHBondContact O-N 2.95Å; F125-G128 PolarHBondContact O-N 3.3Å; F125-L129 HydrophobicContact CD1-CD1 4.14Å; F125-L129 HydrophobicContact CD2-CG 4.37Å; F125-L129 HydrophobicContact CE1-CD1 3.7Å; F125-L129 HydrophobicContact CE1-CG 4.48Å; F125-L129 HydrophobicContact CE2-CD1 4.17Å; F125-L129 HydrophobicContact CE2-CD2 4.14Å; F125-L129 HydrophobicContact CE2-CG 4.13Å; F125-L129 HydrophobicContact CZ-CD1 3.74Å; F125-L129 HydrophobicContact CZ-CD2 4.31Å; F125-L129 HydrophobicContact CZ-CG 4.21Å; F125-L129 WeakPolarHBondContact O-CG 3.32Å; F125-L129 PolarHBondContact O-N 2.82Å
126A95.5Very high94.4Very high0 Ų045.3 Ų45.30%023%0.226CC..Hα-helixtrans-63.9-42.1-179.400000111.8A22 E26 V122 W123 L129 K130A22-A126 HydrophobicContact CB-CB 4.15Å; E26-A126 HydrophobicContact CG-CB 3.31Å; E26-A126 WeakPolarHBondContact OE1-CB 3.48Å; V122-A126 WeakPolarHBondContact O-CB 3.2Å; V122-A126 PolarHBondContact O-N 3.07Å; W123-A126 PolarHBondContact O-N 3.05Å; A126-L129 PolarHBondContact O-N 3.29Å; A126-K130 WeakPolarHBondContact O-CE 3.19Å; A126-K130 WeakPolarHBondContact O-CG 3.41Å; A126-K130 PolarHBondContact O-N 3.43Å
127D92.6Very high94.1Very high98 Ų9847.1 Ų47.152%0.52423%0.234SC..Hα-helixtrans-60.1-45.3172.3-81.2-16.1000111.2W123 L129 K130 A131W123-D127 WeakPolarHBondContact O-CB 3.28Å; W123-D127 PolarHBondContact O-N 2.78Å; D127-L129 VanDerWaalsContact C-N 3.33Å; D127-L129 PolarHBondContact O-N 3.38Å; D127-K130 CarbonylContact O-C 3.45Å; D127-K130 PolarHBondContact O-N 2.95Å; D127-K130 VanDerWaalsContact O-N 3.08Å; D127-K130 IonicContact OD1-NZ 3.99Å; D127-A131 WeakPolarHBondContact O-CB 3.5Å; D127-A131 PolarHBondContact O-N 2.92Å
128G91.8Very high93.7Very high32 Ų3250.2 Ų50.233%0.3326%0.256SS..Hα-helixtrans-58.5-42175.100000113Y124 F125 K130 A131 R133Y124-G128 PolarHBondContact O-N 2.78Å; F125-G128 PolarHBondContact O-N 3.3Å; G128-K130 VanDerWaalsContact C-N 3.28Å; G128-K130 PolarHBondContact O-N 3.39Å; G128-A131 PolarHBondContact O-N 3.2Å; G128-R133 PolarHBondContact O-NH1 2.56Å; G128-R133 PolarHBondContact O-NH2 2.81Å
129L92.9Very high93.3Very high12 Ų1256.7 Ų56.76%0.06329%0.291CS..Hα-helixtrans-64.4-32175.4-69.6-179.5000112.9A22 L55 L59 F71 F125 A126 D127A22-L129 HydrophobicContact CB-CB 4.39Å; A22-L129 HydrophobicContact CB-CD1 4.02Å; L55-L129 HydrophobicContact CD1-CD1 4.04Å; L55-L129 HydrophobicContact CD2-CD1 3.95Å; L59-L129 HydrophobicContact CD2-CD2 3.51Å; F71-L129 WeakPolarHBondContact CE1-O 3.33Å; F71-L129 WeakPolarHBondContact CZ-O 3.39Å; F125-L129 HydrophobicContact CD1-CD1 4.14Å; F125-L129 HydrophobicContact CD2-CG 4.37Å; F125-L129 HydrophobicContact CE1-CD1 3.7Å; F125-L129 HydrophobicContact CE1-CG 4.48Å; F125-L129 HydrophobicContact CE2-CD1 4.17Å; F125-L129 HydrophobicContact CE2-CD2 4.14Å; F125-L129 HydrophobicContact CE2-CG 4.13Å; F125-L129 HydrophobicContact CZ-CD1 3.74Å; F125-L129 HydrophobicContact CZ-CD2 4.31Å; F125-L129 HydrophobicContact CZ-CG 4.21Å; F125-L129 WeakPolarHBondContact O-CG 3.32Å; F125-L129 PolarHBondContact O-N 2.82Å; A126-L129 PolarHBondContact O-N 3.29Å; D127-L129 VanDerWaalsContact C-N 3.33Å; D127-L129 PolarHBondContact O-N 3.38Å
130K92.1Very high92.9Very high62 Ų6258.2 Ų58.227%0.2731%0.306SS..Hα-helixtrans-96.2-7-178.4-65.7176.7-65.6170.70113.6A22 D23 E26 A126 D127 G128A22-K130 HydrophobicContact CB-CD 4.49Å; A22-K130 HydrophobicContact CB-CG 4.46Å; D23-K130 IonicContact OD1-NZ 3.89Å; E26-K130 WeakPolarHBondContact OE1-CE 3.18Å; E26-K130 IonicContact OE1-NZ 2.63Å; E26-K130 PolarHBondContact OE1-NZ 3.41Å; E26-K130 IonicContact OE2-NZ 2.68Å; E26-K130 PolarHBondContact OE2-NZ 3.03Å; A126-K130 WeakPolarHBondContact O-CE 3.19Å; A126-K130 WeakPolarHBondContact O-CG 3.41Å; A126-K130 PolarHBondContact O-N 3.43Å; D127-K130 CarbonylContact O-C 3.45Å; D127-K130 PolarHBondContact O-N 2.95Å; D127-K130 VanDerWaalsContact O-N 3.08Å; D127-K130 IonicContact OD1-NZ 3.99Å; G128-K130 VanDerWaalsContact C-N 3.28Å; G128-K130 PolarHBondContact O-N 3.39Å
131A91.2Very high92.6Very high36 Ų3656.7 Ų56.730%0.29830%0.3SS..SBendtrans-61.9150.9-177.100000111.5F71 D127 G128 R133F71-A131 WeakPolarHBondContact CD1-O 3.41Å; F71-A131 WeakPolarHBondContact CE1-O 3.25Å; D127-A131 WeakPolarHBondContact O-CB 3.5Å; D127-A131 PolarHBondContact O-N 2.92Å; G128-A131 PolarHBondContact O-N 3.2Å; A131-R133 PolarHBondContact O-NH1 2.78Å
132P91.2Very high92.3Very high40 Ų4059.9 Ų59.926%0.2631%0.314SS..  trans-54145.9177.2-25.835.4000112.6V73V73-P132 HydrophobicContact CB-CB 4.44Å; V73-P132 HydrophobicContact CB-CG 4.44Å; V73-P132 HydrophobicContact CG1-CB 3.86Å; V73-P132 HydrophobicContact CG1-CG 3.59Å; V73-P132 HydrophobicContact CG2-CB 3.72Å; V73-P132 HydrophobicContact CG2-CG 3.99Å
133R90.9Very high91.8Very high91 Ų9163.9 Ų63.934%0.34334%0.34SS..  trans-120.6-20.1175.4-63.9-65.6-172.6-89.1-2.9112.3I63 F71 G128 A131 P143 C144I63-R133 HydrophobicContact CD1-CB 4.29Å; I63-R133 HydrophobicContact CD1-CG 3.63Å; F71-R133 HydrophobicContact CB-CB 4.31Å; F71-R133 HydrophobicContact CB-CG 4.47Å; F71-R133 HydrophobicContact CD1-CG 3.93Å; F71-R133 PolarHBondContact O-N 2.88Å; G128-R133 PolarHBondContact O-NH1 2.56Å; G128-R133 PolarHBondContact O-NH2 2.81Å; A131-R133 PolarHBondContact O-NH1 2.78Å; R133-P143 WeakPolarHBondContact O-CA 3.47Å; R133-C144 PolarHBondContact O-N 2.89Å
134W93.5Very high91.2Very high62 Ų6261.7 Ų61.724%0.23534%0.337CS..EExtended strand (participates in β ladder)trans-132.4149.8176.2-59.2-82.2000112I63 I68 F71 T72 V73 V141 Q142 C144I63-W134 HydrophobicContact CB-CH2 3.99Å; I63-W134 HydrophobicContact CB-CZ3 4.44Å; I63-W134 HydrophobicContact CD1-CH2 3.76Å; I63-W134 HydrophobicContact CD1-CZ3 3.81Å; I63-W134 HydrophobicContact CG1-CH2 4.36Å; I63-W134 HydrophobicContact CG2-CH2 4.33Å; I63-W134 HydrophobicContact CG2-CZ3 4.34Å; I68-W134 HydrophobicContact CB-CZ3 4.43Å; I68-W134 HydrophobicContact CG1-CH2 4.27Å; I68-W134 HydrophobicContact CG1-CZ3 4.27Å; I68-W134 HydrophobicContact CG2-CE3 4.12Å; I68-W134 HydrophobicContact CG2-CZ3 4.21Å; F71-W134 HydrophobicContact CB-CE3 3.71Å; F71-W134 HydrophobicContact CB-CZ3 3.62Å; F71-W134 HydrophobicContact CG-CZ3 4.46Å; F71-W134 PolarHBondContact O-N 3.31Å; T72-W134 WeakPolarHBondContact CA-O 3.3Å; T72-W134 HydrophobicContact CG2-CB 4.19Å; V73-W134 PolarHBondContact N-O 2.95Å; W134-V141 HydrophobicContact CB-CG1 3.54Å; W134-V141 HydrophobicContact CG-CG1 3.89Å; W134-Q142 CarbonylContact C-O 3.48Å; W134-Q142 WeakPolarHBondContact CA-O 3.18Å; W134-Q142 WeakPolarHBondContact CB-O 3.44Å; W134-C144 PolarHBondContact N-SG 3.18Å
135I92.9Very high89.9Confident35 Ų3570.7 Ų70.718%0.17938%0.382CS..EExtended strand (participates in β ladder)trans-115.3134.9168.9179.5161.5000109.8V73 L76 T137 Q142V73-I135 CarbonylContact O-C 3.52Å; V73-I135 VanDerWaalsContact O-CA 3.25Å; V73-I135 WeakPolarHBondContact O-CA 3.49Å; L76-I135 HydrophobicContact CD1-CD1 4.19Å; L76-I135 HydrophobicContact CG-CB 4.42Å; L76-I135 HydrophobicContact CG-CD1 3.85Å; I135-T137 HydrophobicContact CG1-CG2 4.21Å; I135-T137 HydrophobicContact CG2-CG2 4.16Å; I135-Q142 HydrophobicContact CG2-CB 4.33Å; I135-Q142 PolarHBondContact N-O 3.29Å; I135-Q142 PolarHBondContact O-N 3.41Å
136R92.1Very high89.6Confident114 Ų11474 Ų7443%0.4340%0.4SS..EExtended strand (participates in β ladder)trans-84.8115.8171.4-170.5179.8-52.3-66.2-1.8109.3T72 V73 D74T72-R136 HydrophobicContact CG2-CB 4.18Å; V73-R136 PolarHBondContact O-N 2.84Å; D74-R136 WeakPolarHBondContact OD1-CB 3.42Å; D74-R136 WeakPolarHBondContact OD1-CD 3.37Å; D74-R136 IonicContact OD1-NE 2.86Å
137T89.9Confident89.3Confident54 Ų5477.9 Ų77.933%0.33142%0.421SS..EExtended strand (participates in β ladder)trans-112.7173.6175.675.50000110.4I135 D139 G140 Q142I135-T137 HydrophobicContact CG1-CG2 4.21Å; I135-T137 HydrophobicContact CG2-CG2 4.16Å; T137-D139 PolarHBondContact O-N 3.09Å; T137-D139 PolarHBondContact OG1-N 3.11Å; T137-G140 PolarHBondContact N-O 3.09Å; T137-G140 PolarHBondContact O-N 2.84Å; T137-G140 VanDerWaalsContact O-N 3.09Å; T137-G140 PolarHBondContact OG1-O 2.91Å; T137-G140 VanDerWaalsContact OG1-O 3.11Å; T137-Q142 HydrophobicContact CG2-CG 4.37Å
138T89.7Confident89.2Confident143 Ų14376.8 Ų76.888%0.87742%0.415SS*.THydrogen-bonded Turntrans-60-22.7171.549.50000112.8
139D88Confident89Confident137 Ų13779.4 Ų79.473%0.73342%0.42SS*.THydrogen-bonded Turntrans-93.64.8179.9-55.5-35.8000112.4T137T137-D139 PolarHBondContact O-N 3.09Å; T137-D139 PolarHBondContact OG1-N 3.11Å
140G89.8Confident88.8Confident31 Ų3183.6 Ų83.632%0.3244%0.443SS..EExtended strand (participates in β ladder)trans110.7-162.8179.900000113.7T137T137-G140 PolarHBondContact N-O 3.09Å; T137-G140 PolarHBondContact O-N 2.84Å; T137-G140 VanDerWaalsContact O-N 3.09Å; T137-G140 PolarHBondContact OG1-O 2.91Å; T137-G140 VanDerWaalsContact OG1-O 3.11Å
141V89.7Confident88.5Confident64 Ų6485.1 Ų85.139%0.38845%0.454SS..EExtended strand (participates in β ladder)trans-87.7120.2-178.8-178.90000109.3T72 W134T72-V141 HydrophobicContact CG2-CG1 4.03Å; T72-V141 HydrophobicContact CG2-CG2 4.32Å; W134-V141 HydrophobicContact CB-CG1 3.54Å; W134-V141 HydrophobicContact CG-CG1 3.89Å
142Q90Very high88.4Confident89 Ų8988.6 Ų88.642%0.41647%0.465SS..EExtended strand (participates in β ladder)trans-117.9148.9-179.4-56.9-58.3-45.900110.4W134 I135 T137W134-Q142 CarbonylContact C-O 3.48Å; W134-Q142 WeakPolarHBondContact CA-O 3.18Å; W134-Q142 WeakPolarHBondContact CB-O 3.44Å; I135-Q142 HydrophobicContact CG2-CB 4.33Å; I135-Q142 PolarHBondContact N-O 3.29Å; I135-Q142 PolarHBondContact O-N 3.41Å; T137-Q142 HydrophobicContact CG2-CG 4.37Å
143P87.1Confident88.1Confident84 Ų8492.3 Ų92.355%0.54548%0.481SS..EExtended strand (participates in β ladder)trans-59.7144.1170.8-21.233.3000111.8R133 Q145R133-P143 WeakPolarHBondContact O-CA 3.47Å; P143-Q145 PolarHBondContact O-N 3.2Å
144C84.2Confident87.9Confident36 Ų3692.4 Ų92.424%0.24349%0.493CS..  trans-65.7125.3164.7-540000108L76 R133 W134L76-C144 HydrophobicContact CD2-CB 4.12Å; L76-C144 WeakPolarHBondContact CD2-SG 3.43Å; R133-C144 PolarHBondContact O-N 2.89Å; W134-C144 PolarHBondContact N-SG 3.18Å
145Q67.9Low87.4Confident260 Ų26095.2 Ų95.2100%1.21552%0.516SS*.  trans-76.40176.5-64.3-154.7-82.400111.9P143P143-Q145 PolarHBondContact O-N 3.2Å

Retrieved 145 of 145 residues in 738 ms (Link to these results)