A0A077ZJC6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZJC6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 91 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
1M48.6Very low77.9Confident208 Ų20897.1 Ų97.1100%1.02548%0.482SS*.  0115.50-105.9168.363.900106.4K3M1-K3 PolarHBondContact O-N 3.05Å; M1-K3 VanDerWaalsContact O-N 3.09Å
2D55.9Low79.4Confident154 Ų15498.3 Ų98.382%0.82449%0.485SS*.  trans-53.4115.4166.6-114.8-52.3000107.5S4D2-S4 PolarHBondContact O-N 3.09Å
3K64.2Low80.7Confident165 Ų16590.9 Ų90.972%0.71745%0.449SS*.  trans-82.641.2176.5-69.1-174.9179176.30109.7M1 L5M1-K3 PolarHBondContact O-N 3.05Å; M1-K3 VanDerWaalsContact O-N 3.09Å; K3-L5 PolarHBondContact O-N 2.75Å
4S74.7Confident81.7Confident82 Ų8287.8 Ų87.857%0.57343%0.434SS*.  trans-68.8129.1173.758.70000108.6D2 D6D2-S4 PolarHBondContact O-N 3.09Å; S4-D6 PolarHBondContact O-N 3.33Å
5L79.2Confident82.3Confident40 Ų4083.3 Ų83.321%0.20942%0.419CS..  trans-70.4110.3171.3-176.659.1000109.2K3 L7 V31 R35 I37 V43K3-L5 PolarHBondContact O-N 2.75Å; L5-L7 HydrophobicContact CD2-CD2 3.52Å; L5-L7 HydrophobicContact CD2-CG 4.42Å; L5-L7 HydrophobicContact CG-CD2 3.99Å; L5-L7 HydrophobicContact CG-CG 4.45Å; L5-L7 PolarHBondContact O-N 2.91Å; L5-L7 VanDerWaalsContact O-N 3.08Å; L5-V31 HydrophobicContact CD1-CG1 3.8Å; L5-R35 HydrophobicContact CD1-CB 4.32Å; L5-R35 HydrophobicContact CD1-CG 3.92Å; L5-I37 HydrophobicContact CB-CD1 3.74Å; L5-I37 HydrophobicContact CD1-CD1 3.77Å; L5-I37 HydrophobicContact CD2-CD1 3.62Å; L5-I37 HydrophobicContact CG-CD1 3.89Å; L5-V43 HydrophobicContact CD2-CB 4.39Å; L5-V43 HydrophobicContact CD2-CG1 3.7Å; L5-V43 HydrophobicContact CD2-CG2 3.76Å
6D86.9Confident82.6Confident53 Ų5381.3 Ų81.328%0.28341%0.413SS..  trans-74.997.5164.7-170.9-9.8000108.6S4 R8 L9S4-D6 PolarHBondContact O-N 3.33Å; D6-R8 PolarHBondContact O-N 3.02Å; D6-R8 VanDerWaalsContact O-N 3.09Å; D6-R8 VanDerWaalsContact OD1-CB 3.28Å; D6-R8 WeakPolarHBondContact OD1-CB 3.33Å; D6-R8 WeakPolarHBondContact OD1-CG 3.32Å; D6-R8 IonicContact OD1-CZ 3.75Å; D6-R8 PolarHBondContact OD1-N 3.22Å; D6-R8 VanDerWaalsContact OD1-N 3.1Å; D6-R8 IonicContact OD1-NE 2.91Å; D6-R8 PolarHBondContact OD1-NE 3.35Å; D6-R8 IonicContact OD1-NH2 3.69Å; D6-R8 IonicContact OD2-CZ 3.46Å; D6-R8 IonicContact OD2-NE 3.33Å; D6-R8 PolarHBondContact OD2-NE 3.1Å; D6-R8 IonicContact OD2-NH2 2.75Å; D6-R8 PolarHBondContact OD2-NH2 3.08Å; D6-L9 HydrophobicContact CB-CD1 4.12Å; D6-L9 HydrophobicContact CB-CG 4.19Å; D6-L9 WeakPolarHBondContact O-CB 3.26Å; D6-L9 WeakPolarHBondContact O-CG 3.47Å; D6-L9 PolarHBondContact O-N 3.43Å
7L85.6Confident82.3Confident58 Ų5881.9 Ų81.930%0.30443%0.433SS..G310 helixtrans-57.9-21-179.5-75.8176.9000113.3L5 L9 I10 V43 L46 R47L5-L7 HydrophobicContact CD2-CD2 3.52Å; L5-L7 HydrophobicContact CD2-CG 4.42Å; L5-L7 HydrophobicContact CG-CD2 3.99Å; L5-L7 HydrophobicContact CG-CG 4.45Å; L5-L7 PolarHBondContact O-N 2.91Å; L5-L7 VanDerWaalsContact O-N 3.08Å; L7-L9 PolarHBondContact O-N 3.04Å; L7-I10 PolarHBondContact O-N 3.22Å; L7-V43 HydrophobicContact CD2-CG1 4.49Å; L7-L46 HydrophobicContact CD1-CB 4.29Å; L7-L46 HydrophobicContact CD1-CD1 4.18Å; L7-L46 HydrophobicContact CD2-CB 4.22Å; L7-L46 HydrophobicContact CD2-CD1 4.01Å; L7-R47 HydrophobicContact CD2-CG 4.28Å; L7-R47 PolarHBondContact O-NE 3.43Å
8R88.8Confident82.2Confident202 Ų20287.8 Ų87.876%0.76246%0.455SS*.G310 helixtrans-67.6-16.3177-59.2174.7-64.61753.6113.1D6 I10D6-R8 PolarHBondContact O-N 3.02Å; D6-R8 VanDerWaalsContact O-N 3.09Å; D6-R8 VanDerWaalsContact OD1-CB 3.28Å; D6-R8 WeakPolarHBondContact OD1-CB 3.33Å; D6-R8 WeakPolarHBondContact OD1-CG 3.32Å; D6-R8 IonicContact OD1-CZ 3.75Å; D6-R8 PolarHBondContact OD1-N 3.22Å; D6-R8 VanDerWaalsContact OD1-N 3.1Å; D6-R8 IonicContact OD1-NE 2.91Å; D6-R8 PolarHBondContact OD1-NE 3.35Å; D6-R8 IonicContact OD1-NH2 3.69Å; D6-R8 IonicContact OD2-CZ 3.46Å; D6-R8 IonicContact OD2-NE 3.33Å; D6-R8 PolarHBondContact OD2-NE 3.1Å; D6-R8 IonicContact OD2-NH2 2.75Å; D6-R8 PolarHBondContact OD2-NH2 3.08Å; R8-I10 PolarHBondContact O-N 3.13Å
9L89Confident82.3Confident68 Ų6886.1 Ų86.136%0.35644%0.444SS..G310 helixtrans-68.9-22.4172.6-61.9172.9000112D6 L7 K27 V31D6-L9 HydrophobicContact CB-CD1 4.12Å; D6-L9 HydrophobicContact CB-CG 4.19Å; D6-L9 WeakPolarHBondContact O-CB 3.26Å; D6-L9 WeakPolarHBondContact O-CG 3.47Å; D6-L9 PolarHBondContact O-N 3.43Å; L7-L9 PolarHBondContact O-N 3.04Å; L9-K27 WeakPolarHBondContact O-CE 3.36Å; L9-V31 HydrophobicContact CB-CG1 4.16Å; L9-V31 HydrophobicContact CB-CG2 4.29Å; L9-V31 HydrophobicContact CD1-CG1 4.43Å
10I92.1Very high82.7Confident0 Ų084.3 Ų84.30%044%0.439CS..SBendtrans-102.8117.7176.9-58.7171.7000107.5L7 R8 W24 V28 V31 V43 R47L7-I10 PolarHBondContact O-N 3.22Å; R8-I10 PolarHBondContact O-N 3.13Å; I10-W24 HydrophobicContact CG2-CZ2 4Å; I10-V28 HydrophobicContact CD1-CG1 4.34Å; I10-V28 HydrophobicContact CD1-CG2 4.39Å; I10-V28 HydrophobicContact CG2-CG2 3.6Å; I10-V31 HydrophobicContact CD1-CB 4.35Å; I10-V31 HydrophobicContact CD1-CG1 4.13Å; I10-V31 HydrophobicContact CG1-CB 4.08Å; I10-V31 HydrophobicContact CG1-CG1 3.98Å; I10-V31 HydrophobicContact CG1-CG2 4.21Å; I10-V43 HydrophobicContact CD1-CG1 3.46Å; I10-V43 VanDerWaalsContact CD1-CG1 3.46Å; I10-R47 HydrophobicContact CB-CG 3.97Å; I10-R47 HydrophobicContact CG2-CB 3.89Å; I10-R47 HydrophobicContact CG2-CG 3.71Å; I10-R47 PolarHBondContact O-NE 3.09Å; I10-R47 PolarHBondContact O-NH2 2.86Å
11P92.2Very high83.2Confident38 Ų3880.4 Ų80.425%0.24742%0.419CS..PPolyproline II helixtrans-64.3156.8174.827.7-31.9000110.7W24 K27P11-W24 PolarHBondContact O-NE1 3.06Å; P11-K27 HydrophobicContact CG-CD 4.28Å
12E95.7Very high85.3Confident111 Ų11172.5 Ų72.552%0.51939%0.387SS..PPolyproline II helixtrans-70.7147.2171.2-65.4178.216300109.9R47 T49E12-R47 CarbonylContact C-O 3.56Å; E12-R47 VanDerWaalsContact CA-O 3.27Å; E12-R47 WeakPolarHBondContact CA-O 3.41Å; E12-R47 IonicContact OE1-CZ 2.78Å; E12-R47 IonicContact OE1-NH1 2.64Å; E12-R47 PolarHBondContact OE1-NH1 3.09Å; E12-R47 IonicContact OE1-NH2 3.78Å; E12-T49 HydrophobicContact CB-CG2 4.04Å; E12-T49 HydrophobicContact CG-CG2 4.17Å
13Y96.4Very high87Confident3 Ų371.4 Ų71.41%0.01238%0.377CS..BIsolated β-bridgetrans-122.6113.9175-171.9-100.9000109.8G15 Q19 I21 W24 R47 L48 T49 A52 F78Y13-G15 VanDerWaalsContact CE1-CA 3.46Å; Y13-Q19 HydrophobicContact CD2-CB 4.42Å; Y13-Q19 HydrophobicContact CD2-CG 4.39Å; Y13-Q19 HydrophobicContact CE2-CB 4.27Å; Y13-Q19 HydrophobicContact CE2-CG 4.45Å; Y13-Q19 WeakPolarHBondContact CE2-O 3.46Å; Y13-I21 HydrophobicContact CD1-CD1 3.88Å; Y13-I21 HydrophobicContact CE1-CB 4.17Å; Y13-I21 HydrophobicContact CE1-CD1 3.62Å; Y13-I21 HydrophobicContact CE1-CG1 4.31Å; Y13-I21 HydrophobicContact CE2-CB 4.25Å; Y13-I21 HydrophobicContact CE2-CD1 4.45Å; Y13-I21 HydrophobicContact CG-CD1 4.42Å; Y13-I21 WeakPolarHBondContact OH-CB 3.34Å; Y13-W24 HydrophobicContact CD2-CB 4.13Å; Y13-W24 HydrophobicContact CD2-CD2 4.4Å; Y13-W24 AromaticContact CD2-CG 3.96Å; Y13-W24 HydrophobicContact CD2-CG 3.96Å; Y13-W24 HydrophobicContact CG-CD2 4.16Å; Y13-W24 HydrophobicContact CG-CG 4.2Å; Y13-R47 PolarHBondContact N-O 3.19Å; Y13-L48 HydrophobicContact CD1-CD2 4.06Å; Y13-L48 WeakPolarHBondContact O-CA 3.35Å; Y13-T49 PolarHBondContact O-N 2.69Å; Y13-T49 PolarHBondContact O-OG1 3.32Å; Y13-A52 HydrophobicContact CD1-CB 3.6Å; Y13-A52 HydrophobicContact CE1-CB 4.01Å; Y13-A52 WeakPolarHBondContact O-CB 3.28Å; Y13-F78 HydrophobicContact CE1-CB 4.29Å; Y13-F78 HydrophobicContact CE1-CD1 4.49Å; Y13-F78 HydrophobicContact CE1-CD2 4.04Å; Y13-F78 HydrophobicContact CE1-CG 4.01Å; Y13-F78 WeakPolarHBondContact OH-CB 3.32Å
14D94.6Very high88.5Confident47 Ų4763.6 Ų63.625%0.25134%0.343SS..  trans-94.4-9.5-176622.4000113.4T16 T49 D50 G51 A52D14-T16 VanDerWaalsContact OD1-CB 3.3Å; D14-T16 WeakPolarHBondContact OD1-CB 3.32Å; D14-T16 WeakPolarHBondContact OD1-CG2 3.41Å; D14-T16 PolarHBondContact OD1-N 3.41Å; D14-T16 PolarHBondContact OD1-OG1 3.25Å; D14-T16 WeakPolarHBondContact OD2-CG2 3.31Å; D14-T16 PolarHBondContact OD2-OG1 3.45Å; D14-T49 WeakPolarHBondContact CA-OG1 3.3Å; D14-T49 WeakPolarHBondContact CB-OG1 3.38Å; D14-D50 HydrophobicContact CB-CB 4.29Å; D14-G51 PolarHBondContact O-N 3.43Å; D14-A52 PolarHBondContact O-N 2.89Å
15G90.6Very high89.5Confident20 Ų2060.1 Ų60.121%0.20632%0.318CS..SBendtrans89.88.4-174.900000114.4Y13 F78Y13-G15 VanDerWaalsContact CE1-CA 3.46Å; G15-F78 VanDerWaalsContact CA-CD1 3.48Å; G15-F78 VanDerWaalsContact CA-CE1 3.44Å; G15-F78 WeakPolarHBondContact O-CD1 2.98Å
16T86.7Confident90.2Very high52 Ų5264.6 Ų64.632%0.31934%0.337SS..  trans-85.3152.1175.967.30000111.8D14 K18 Q19D14-T16 VanDerWaalsContact OD1-CB 3.3Å; D14-T16 WeakPolarHBondContact OD1-CB 3.32Å; D14-T16 WeakPolarHBondContact OD1-CG2 3.41Å; D14-T16 PolarHBondContact OD1-N 3.41Å; D14-T16 PolarHBondContact OD1-OG1 3.25Å; D14-T16 WeakPolarHBondContact OD2-CG2 3.31Å; D14-T16 PolarHBondContact OD2-OG1 3.45Å; T16-K18 PolarHBondContact O-N 2.91Å; T16-Q19 PolarHBondContact O-N 2.91Å
17A77.6Confident90.5Very high91 Ų9166.5 Ų66.575%0.75234%0.343SS*.THydrogen-bonded Turntrans-65-3178.600000114.6Q19A17-Q19 PolarHBondContact O-N 3.29Å
18K80.5Confident90.9Very high189 Ų18963.8 Ų63.882%0.82233%0.329SS*.THydrogen-bonded Turntrans-62.6-23.4176.9-65176.8-175.5166.20112.8T16T16-K18 PolarHBondContact O-N 2.91Å
19Q84.6Confident91.2Very high55 Ų5557.1 Ų57.126%0.25731%0.307SS..SBendtrans-135.3133.1176.6-178168.640.800108.8Y13 T16 A17 I21 W24Y13-Q19 HydrophobicContact CD2-CB 4.42Å; Y13-Q19 HydrophobicContact CD2-CG 4.39Å; Y13-Q19 HydrophobicContact CE2-CB 4.27Å; Y13-Q19 HydrophobicContact CE2-CG 4.45Å; Y13-Q19 WeakPolarHBondContact CE2-O 3.46Å; T16-Q19 PolarHBondContact O-N 2.91Å; A17-Q19 PolarHBondContact O-N 3.29Å; Q19-I21 PolarHBondContact O-N 3.42Å; Q19-W24 HydrophobicContact CG-CB 4.28Å
20S90Very high91.4Very high50 Ų5058.7 Ų58.735%0.3532%0.315SS..  trans-66.8127.3171.71720000110.1A22 E23 W24S20-A22 PolarHBondContact O-N 2.98Å; S20-A22 PolarHBondContact OG-N 3.4Å; S20-E23 PolarHBondContact O-N 2.9Å; S20-E23 PolarHBondContact OG-N 2.98Å; S20-W24 WeakPolarHBondContact O-CB 3.37Å; S20-W24 PolarHBondContact O-N 2.81Å
21I93.5Very high91.4Very high3 Ų359.5 Ų59.52%0.01532%0.32CS..Hα-helixtrans-59.3-34.4172.8178.759.6000111.2Y13 Q19 W24 L25 L74 L75 F78 A79Y13-I21 HydrophobicContact CD1-CD1 3.88Å; Y13-I21 HydrophobicContact CE1-CB 4.17Å; Y13-I21 HydrophobicContact CE1-CD1 3.62Å; Y13-I21 HydrophobicContact CE1-CG1 4.31Å; Y13-I21 HydrophobicContact CE2-CB 4.25Å; Y13-I21 HydrophobicContact CE2-CD1 4.45Å; Y13-I21 HydrophobicContact CG-CD1 4.42Å; Y13-I21 WeakPolarHBondContact OH-CB 3.34Å; Q19-I21 PolarHBondContact O-N 3.42Å; I21-W24 HydrophobicContact CD1-CE3 3.92Å; I21-W24 HydrophobicContact CD1-CZ3 4.46Å; I21-W24 PolarHBondContact O-N 2.86Å; I21-L25 HydrophobicContact CD1-CD1 4.18Å; I21-L25 HydrophobicContact CD1-CD2 4.49Å; I21-L25 HydrophobicContact CD1-CG 3.95Å; I21-L25 HydrophobicContact CG1-CD1 4Å; I21-L25 HydrophobicContact CG1-CG 4.25Å; I21-L25 WeakPolarHBondContact O-CB 3.46Å; I21-L25 VanDerWaalsContact O-CG 3.26Å; I21-L25 WeakPolarHBondContact O-CG 3.37Å; I21-L25 PolarHBondContact O-N 3.28Å; I21-L74 HydrophobicContact CD1-CB 4.23Å; I21-L74 HydrophobicContact CG1-CB 4.28Å; I21-L75 HydrophobicContact CG2-CD2 4Å; I21-F78 HydrophobicContact CB-CB 4.05Å; I21-F78 HydrophobicContact CG1-CB 4.46Å; I21-F78 HydrophobicContact CG2-CB 3.91Å; I21-A79 HydrophobicContact CG2-CB 4.49Å
22A93.1Very high91.4Very high42 Ų4257.7 Ų57.735%0.34731%0.308SS..Hα-helixtrans-65.7-50.2-179.900000110.9S20 W24 L25 E26 L75S20-A22 PolarHBondContact O-N 2.98Å; S20-A22 PolarHBondContact OG-N 3.4Å; A22-W24 VanDerWaalsContact C-N 3.29Å; A22-W24 PolarHBondContact O-N 2.97Å; A22-L25 PolarHBondContact O-N 3.43Å; A22-E26 WeakPolarHBondContact O-CG 3.38Å; A22-E26 PolarHBondContact O-N 3.28Å; A22-L75 HydrophobicContact CB-CD2 4.11Å
23E91.5Very high91.3Very high131 Ų13160.6 Ų60.661%0.61232%0.319SS*.Hα-helixtrans-63.2-37.7176.6-64.1-177.5154.800111.8S20 E26 K27S20-E23 PolarHBondContact O-N 2.9Å; S20-E23 PolarHBondContact OG-N 2.98Å; E23-E26 PolarHBondContact O-N 2.92Å; E23-K27 PolarHBondContact O-N 2.78Å
24W95Very high91Very high1 Ų166.7 Ų66.70%0.00435%0.351CS..Hα-helixtrans-62.4-46.2175.7-176.589.8000111.6I10 P11 Y13 Q19 S20 I21 A22 K27 V28 I44 R47 L48I10-W24 HydrophobicContact CG2-CZ2 4Å; P11-W24 PolarHBondContact O-NE1 3.06Å; Y13-W24 HydrophobicContact CD2-CB 4.13Å; Y13-W24 HydrophobicContact CD2-CD2 4.4Å; Y13-W24 AromaticContact CD2-CG 3.96Å; Y13-W24 HydrophobicContact CD2-CG 3.96Å; Y13-W24 HydrophobicContact CG-CD2 4.16Å; Y13-W24 HydrophobicContact CG-CG 4.2Å; Q19-W24 HydrophobicContact CG-CB 4.28Å; S20-W24 WeakPolarHBondContact O-CB 3.37Å; S20-W24 PolarHBondContact O-N 2.81Å; I21-W24 HydrophobicContact CD1-CE3 3.92Å; I21-W24 HydrophobicContact CD1-CZ3 4.46Å; I21-W24 PolarHBondContact O-N 2.86Å; A22-W24 VanDerWaalsContact C-N 3.29Å; A22-W24 PolarHBondContact O-N 2.97Å; W24-K27 WeakPolarHBondContact O-CB 3.41Å; W24-K27 PolarHBondContact O-N 3.14Å; W24-V28 HydrophobicContact CD2-CG2 3.93Å; W24-V28 HydrophobicContact CE3-CG2 3.89Å; W24-V28 HydrophobicContact CH2-CG2 3.77Å; W24-V28 HydrophobicContact CZ2-CG2 3.79Å; W24-V28 HydrophobicContact CZ3-CG2 3.81Å; W24-V28 WeakPolarHBondContact O-CG2 3.44Å; W24-V28 PolarHBondContact O-N 3.41Å; W24-I44 HydrophobicContact CH2-CB 4.47Å; W24-I44 HydrophobicContact CH2-CG2 4.12Å; W24-I44 HydrophobicContact CZ3-CG1 4.33Å; W24-I44 HydrophobicContact CZ3-CG2 4.12Å; W24-R47 HydrophobicContact CH2-CB 4.48Å; W24-R47 HydrophobicContact CZ2-CB 3.78Å; W24-L48 HydrophobicContact CH2-CD2 3.57Å; W24-L48 HydrophobicContact CH2-CG 4.39Å; W24-L48 HydrophobicContact CZ2-CD2 4.19Å; W24-L48 HydrophobicContact CZ3-CD2 3.93Å
25L96.2Very high90.8Very high9 Ų968.8 Ų68.85%0.04736%0.355CS..Hα-helixtrans-62.2-44.4176.7-74.8173.7000111.8I21 A22 K27 V28 E29 I44 K71 L75I21-L25 HydrophobicContact CD1-CD1 4.18Å; I21-L25 HydrophobicContact CD1-CD2 4.49Å; I21-L25 HydrophobicContact CD1-CG 3.95Å; I21-L25 HydrophobicContact CG1-CD1 4Å; I21-L25 HydrophobicContact CG1-CG 4.25Å; I21-L25 WeakPolarHBondContact O-CB 3.46Å; I21-L25 VanDerWaalsContact O-CG 3.26Å; I21-L25 WeakPolarHBondContact O-CG 3.37Å; I21-L25 PolarHBondContact O-N 3.28Å; A22-L25 PolarHBondContact O-N 3.43Å; L25-K27 VanDerWaalsContact C-N 3.26Å; L25-K27 PolarHBondContact O-N 3.47Å; L25-V28 WeakPolarHBondContact O-CB 3.27Å; L25-V28 PolarHBondContact O-N 3.32Å; L25-V28 VanDerWaalsContact O-N 3.14Å; L25-E29 WeakPolarHBondContact O-CG 3.03Å; L25-E29 PolarHBondContact O-N 2.91Å; L25-I44 HydrophobicContact CD2-CD1 3.87Å; L25-I44 HydrophobicContact CD2-CG1 4.31Å; L25-K71 HydrophobicContact CD1-CB 4.19Å; L25-K71 HydrophobicContact CD1-CG 4.13Å; L25-K71 HydrophobicContact CD2-CG 4.07Å; L25-L75 HydrophobicContact CD1-CD1 4.41Å; L25-L75 HydrophobicContact CD1-CD2 4.28Å; L25-L75 HydrophobicContact CD1-CG 4.01Å
26E94.1Very high90.8Very high133 Ų13370.2 Ų70.262%0.62137%0.37SS*.Hα-helixtrans-57.4-41175.2-74.2-175.4178.200111.9A22 E23 E29 L30A22-E26 WeakPolarHBondContact O-CG 3.38Å; A22-E26 PolarHBondContact O-N 3.28Å; E23-E26 PolarHBondContact O-N 2.92Å; E26-E29 PolarHBondContact O-N 3.23Å; E26-L30 WeakPolarHBondContact O-CB 3.47Å; E26-L30 PolarHBondContact O-N 3.17Å
27K93Very high90.9Very high94 Ų9469.7 Ų69.741%0.40937%0.365SS..Hα-helixtrans-65.6-42.7176.3-173.9171.2-179.4176.10112.1L9 P11 E23 W24 L25 E29 L30 V31L9-K27 WeakPolarHBondContact O-CE 3.36Å; P11-K27 HydrophobicContact CG-CD 4.28Å; E23-K27 PolarHBondContact O-N 2.78Å; W24-K27 WeakPolarHBondContact O-CB 3.41Å; W24-K27 PolarHBondContact O-N 3.14Å; L25-K27 VanDerWaalsContact C-N 3.26Å; L25-K27 PolarHBondContact O-N 3.47Å; K27-E29 VanDerWaalsContact C-N 3.35Å; K27-L30 PolarHBondContact O-N 3.05Å; K27-V31 VanDerWaalsContact O-CG2 3.32Å; K27-V31 WeakPolarHBondContact O-CG2 3.46Å; K27-V31 PolarHBondContact O-N 3.1Å
28V94.7Very high91.3Very high0 Ų072.8 Ų72.80%037%0.368CS..Hα-helixtrans-57.9-49.1174.3173.50000110.2I10 W24 L25 L30 V31 C32 I40 V43 I44I10-V28 HydrophobicContact CD1-CG1 4.34Å; I10-V28 HydrophobicContact CD1-CG2 4.39Å; I10-V28 HydrophobicContact CG2-CG2 3.6Å; W24-V28 HydrophobicContact CD2-CG2 3.93Å; W24-V28 HydrophobicContact CE3-CG2 3.89Å; W24-V28 HydrophobicContact CH2-CG2 3.77Å; W24-V28 HydrophobicContact CZ2-CG2 3.79Å; W24-V28 HydrophobicContact CZ3-CG2 3.81Å; W24-V28 WeakPolarHBondContact O-CG2 3.44Å; W24-V28 PolarHBondContact O-N 3.41Å; L25-V28 WeakPolarHBondContact O-CB 3.27Å; L25-V28 PolarHBondContact O-N 3.32Å; L25-V28 VanDerWaalsContact O-N 3.14Å; V28-L30 PolarHBondContact O-N 2.94Å; V28-V31 PolarHBondContact O-N 3.4Å; V28-C32 WeakPolarHBondContact O-CB 3.42Å; V28-C32 PolarHBondContact O-N 2.9Å; V28-C32 PolarHBondContact O-SG 3.04Å; V28-I40 HydrophobicContact CG1-CG2 3.91Å; V28-V43 HydrophobicContact CG1-CG1 4.24Å; V28-I44 HydrophobicContact CG1-CG1 4.12Å
29E94.2Very high91.8Very high63 Ų6366.4 Ų66.429%0.29434%0.343SS..Hα-helixtrans-60-44.6179.7-70-171.7152.300112.2L25 E26 K27 C32 K33 I40 K71L25-E29 WeakPolarHBondContact O-CG 3.03Å; L25-E29 PolarHBondContact O-N 2.91Å; E26-E29 PolarHBondContact O-N 3.23Å; K27-E29 VanDerWaalsContact C-N 3.35Å; E29-C32 PolarHBondContact O-N 3.31Å; E29-K33 VanDerWaalsContact O-CB 3.31Å; E29-K33 WeakPolarHBondContact O-CB 3.4Å; E29-K33 PolarHBondContact O-N 2.97Å; E29-I40 HydrophobicContact CG-CD1 3.96Å; E29-K71 WeakPolarHBondContact OE1-CD 3.42Å; E29-K71 WeakPolarHBondContact OE1-CE 3.44Å; E29-K71 IonicContact OE1-NZ 3.66Å; E29-K71 PolarHBondContact OE1-NZ 3.13Å
30L93.6Very high92.1Very high100 Ų10065.1 Ų65.152%0.52434%0.338SS..Hα-helixtrans-62-46.3177.5179.860.9000111.6E26 K27 V28 K33 L34E26-L30 WeakPolarHBondContact O-CB 3.47Å; E26-L30 PolarHBondContact O-N 3.17Å; K27-L30 PolarHBondContact O-N 3.05Å; V28-L30 PolarHBondContact O-N 2.94Å; L30-K33 PolarHBondContact O-N 3.24Å; L30-L34 HydrophobicContact CD1-CD1 4.1Å; L30-L34 HydrophobicContact CD1-CG 4.27Å; L30-L34 HydrophobicContact CG-CD1 4.06Å; L30-L34 WeakPolarHBondContact O-CB 3.47Å; L30-L34 VanDerWaalsContact O-CG 3.26Å; L30-L34 WeakPolarHBondContact O-CG 3.49Å; L30-L34 PolarHBondContact O-N 3.2Å
31V92.7Very high92.3Very high17 Ų1763 Ų6310%0.10332%0.323CS..Hα-helixtrans-63.1-46178.3173.20000110.6L5 L9 I10 K27 V28 K33 L34 R35L5-V31 HydrophobicContact CD1-CG1 3.8Å; L9-V31 HydrophobicContact CB-CG1 4.16Å; L9-V31 HydrophobicContact CB-CG2 4.29Å; L9-V31 HydrophobicContact CD1-CG1 4.43Å; I10-V31 HydrophobicContact CD1-CB 4.35Å; I10-V31 HydrophobicContact CD1-CG1 4.13Å; I10-V31 HydrophobicContact CG1-CB 4.08Å; I10-V31 HydrophobicContact CG1-CG1 3.98Å; I10-V31 HydrophobicContact CG1-CG2 4.21Å; K27-V31 VanDerWaalsContact O-CG2 3.32Å; K27-V31 WeakPolarHBondContact O-CG2 3.46Å; K27-V31 PolarHBondContact O-N 3.1Å; V28-V31 PolarHBondContact O-N 3.4Å; V31-K33 PolarHBondContact O-N 3.12Å; V31-L34 PolarHBondContact O-N 3.28Å; V31-R35 HydrophobicContact CG1-CG 4.4Å; V31-R35 WeakPolarHBondContact O-CG 3.46Å; V31-R35 PolarHBondContact O-N 2.75Å
32C92.5Very high92.3Very high0 Ų068.9 Ų68.90%035%0.351CS..Hα-helixtrans-58.7-46.3177.2-72.50000111.6V28 E29 L34 R35 G36 I37 I40V28-C32 WeakPolarHBondContact O-CB 3.42Å; V28-C32 PolarHBondContact O-N 2.9Å; V28-C32 PolarHBondContact O-SG 3.04Å; E29-C32 PolarHBondContact O-N 3.31Å; C32-L34 PolarHBondContact O-N 3.07Å; C32-R35 CarbonylContact O-C 3.52Å; C32-R35 PolarHBondContact O-N 3.47Å; C32-R35 VanDerWaalsContact O-N 3.13Å; C32-G36 PolarHBondContact O-N 3.23Å; C32-I37 HydrophobicContact CB-CB 4.1Å; C32-I37 PolarHBondContact O-N 2.96Å; C32-I40 HydrophobicContact CB-CG1 3.92Å
33K92Very high92.3Very high173 Ų17367.2 Ų67.275%0.75234%0.336SS*.Hα-helixtrans-59-45176.2-177178.1-179177.60112.3E29 L30 V31 R35 G36E29-K33 VanDerWaalsContact O-CB 3.31Å; E29-K33 WeakPolarHBondContact O-CB 3.4Å; E29-K33 PolarHBondContact O-N 2.97Å; L30-K33 PolarHBondContact O-N 3.24Å; V31-K33 PolarHBondContact O-N 3.12Å; K33-R35 PolarHBondContact O-N 3.2Å; K33-G36 PolarHBondContact O-N 3.29Å
34L91.4Very high92.5Very high130 Ų13061 Ų6168%0.68131%0.307SS*.Hα-helixtrans-68.3-23178.9-70.6172.8000113.1L30 V31 C32L30-L34 HydrophobicContact CD1-CD1 4.1Å; L30-L34 HydrophobicContact CD1-CG 4.27Å; L30-L34 HydrophobicContact CG-CD1 4.06Å; L30-L34 WeakPolarHBondContact O-CB 3.47Å; L30-L34 VanDerWaalsContact O-CG 3.26Å; L30-L34 WeakPolarHBondContact O-CG 3.49Å; L30-L34 PolarHBondContact O-N 3.2Å; V31-L34 PolarHBondContact O-N 3.28Å; C32-L34 PolarHBondContact O-N 3.07Å
35R89.8Confident92.6Very high92 Ų9261.8 Ų61.835%0.34731%0.312SS..Hα-helixtrans-97.5-6.4176.9-61.1-58.7179.8-169.8-1.4113.8L5 V31 C32 K33 I37L5-R35 HydrophobicContact CD1-CB 4.32Å; L5-R35 HydrophobicContact CD1-CG 3.92Å; V31-R35 HydrophobicContact CG1-CG 4.4Å; V31-R35 WeakPolarHBondContact O-CG 3.46Å; V31-R35 PolarHBondContact O-N 2.75Å; C32-R35 CarbonylContact O-C 3.52Å; C32-R35 PolarHBondContact O-N 3.47Å; C32-R35 VanDerWaalsContact O-N 3.13Å; K33-R35 PolarHBondContact O-N 3.2Å; R35-I37 HydrophobicContact CB-CD1 4.11Å; R35-I37 HydrophobicContact CB-CG1 4.23Å
36G89.7Confident92.5Very high49 Ų4966.1 Ų66.151%0.50534%0.335SS..THydrogen-bonded Turntrans71.540.2-178.500000112.7C32 K33C32-G36 PolarHBondContact O-N 3.23Å; K33-G36 PolarHBondContact O-N 3.29Å
37I89.3Confident92.6Very high42 Ų4261.6 Ų61.622%0.21531%0.312CS..  trans-104115.3176-60.6172.4000108.1L5 C32 R35 V43L5-I37 HydrophobicContact CB-CD1 3.74Å; L5-I37 HydrophobicContact CD1-CD1 3.77Å; L5-I37 HydrophobicContact CD2-CD1 3.62Å; L5-I37 HydrophobicContact CG-CD1 3.89Å; C32-I37 HydrophobicContact CB-CB 4.1Å; C32-I37 PolarHBondContact O-N 2.96Å; R35-I37 HydrophobicContact CB-CD1 4.11Å; R35-I37 HydrophobicContact CB-CG1 4.23Å; I37-V43 HydrophobicContact CD1-CG2 4.42Å; I37-V43 HydrophobicContact CG2-CG2 3.88Å
38D87Confident92.8Very high155 Ų15557.6 Ų57.683%0.82930%0.295SS*.  trans-85.8-33.2-178.7-59.2-41.3000111.7I40D38-I40 PolarHBondContact O-N 3.4Å
39N89.7Confident92.9Very high55 Ų5559.3 Ų59.329%0.29431%0.306SS..  trans-89.980-178.3-162.9-3.4000112.3A41 E42N39-A41 PolarHBondContact O-N 3.41Å; N39-A41 WeakPolarHBondContact OD1-CB 3.26Å; N39-A41 PolarHBondContact OD1-N 3.39Å; N39-E42 HydrophobicContact CB-CG 4.38Å; N39-E42 WeakPolarHBondContact ND2-CG 3.4Å; N39-E42 PolarHBondContact ND2-OE1 2.98Å; N39-E42 PolarHBondContact O-N 3.47Å
40I92.3Very high92.9Very high29 Ų2962.4 Ų62.415%0.14932%0.324CS..Hα-helixtrans-60.7-28.1177.4-65.6153.2000112.1V28 E29 C32 D38 E42 V43 I44V28-I40 HydrophobicContact CG1-CG2 3.91Å; E29-I40 HydrophobicContact CG-CD1 3.96Å; C32-I40 HydrophobicContact CB-CG1 3.92Å; D38-I40 PolarHBondContact O-N 3.4Å; I40-E42 PolarHBondContact O-N 3.32Å; I40-V43 PolarHBondContact O-N 3.25Å; I40-I44 HydrophobicContact CG2-CD1 3.72Å; I40-I44 HydrophobicContact CG2-CG1 3.89Å; I40-I44 WeakPolarHBondContact O-CG1 3.49Å; I40-I44 PolarHBondContact O-N 2.89Å
41A94.4Very high92.9Very high4 Ų459.3 Ų59.33%0.03332%0.316CS..Hα-helixtrans-66.5-21.5-179.700000113.4N39 P45 R64 P67 L70N39-A41 PolarHBondContact O-N 3.41Å; N39-A41 WeakPolarHBondContact OD1-CB 3.26Å; N39-A41 PolarHBondContact OD1-N 3.39Å; A41-P45 WeakPolarHBondContact O-CD 3.4Å; A41-P45 WeakPolarHBondContact O-CG 3.5Å; A41-R64 WeakPolarHBondContact CB-O 3.4Å; A41-P67 HydrophobicContact CB-CB 4.49Å; A41-P67 HydrophobicContact CB-CG 3.95Å; A41-L70 HydrophobicContact CB-CD2 3.98Å
42E92.4Very high93Very high128 Ų12858.5 Ų58.560%0.59831%0.312SS*.Hα-helixtrans-80.1-23.1171.5-73.3172-162.200112.6N39 I40 L46N39-E42 HydrophobicContact CB-CG 4.38Å; N39-E42 WeakPolarHBondContact ND2-CG 3.4Å; N39-E42 PolarHBondContact ND2-OE1 2.98Å; N39-E42 PolarHBondContact O-N 3.47Å; I40-E42 PolarHBondContact O-N 3.32Å; E42-L46 WeakPolarHBondContact O-CD1 3.42Å; E42-L46 WeakPolarHBondContact O-CG 3.36Å
43V93.6Very high93.2Very high6 Ų662.2 Ų62.24%0.03633%0.328CS..Hα-helixtrans-88.9-42.8-176.6178.90000112L5 L7 I10 V28 I37 I40 L46L5-V43 HydrophobicContact CD2-CB 4.39Å; L5-V43 HydrophobicContact CD2-CG1 3.7Å; L5-V43 HydrophobicContact CD2-CG2 3.76Å; L7-V43 HydrophobicContact CD2-CG1 4.49Å; I10-V43 HydrophobicContact CD1-CG1 3.46Å; I10-V43 VanDerWaalsContact CD1-CG1 3.46Å; V28-V43 HydrophobicContact CG1-CG1 4.24Å; I37-V43 HydrophobicContact CD1-CG2 4.42Å; I37-V43 HydrophobicContact CG2-CG2 3.88Å; I40-V43 PolarHBondContact O-N 3.25Å; V43-L46 WeakPolarHBondContact O-CB 3.42Å; V43-L46 PolarHBondContact O-N 3.46Å; V43-L46 VanDerWaalsContact O-N 3.12Å
44I96.2Very high93.4Very high0 Ų056.1 Ų56.10%031%0.31CS..G310 helixtrans-46.7-58.5-179.9-73.2170.3000112W24 L25 V28 I40 L46 R47 L48 L70 K71 L74W24-I44 HydrophobicContact CH2-CB 4.47Å; W24-I44 HydrophobicContact CH2-CG2 4.12Å; W24-I44 HydrophobicContact CZ3-CG1 4.33Å; W24-I44 HydrophobicContact CZ3-CG2 4.12Å; L25-I44 HydrophobicContact CD2-CD1 3.87Å; L25-I44 HydrophobicContact CD2-CG1 4.31Å; V28-I44 HydrophobicContact CG1-CG1 4.12Å; I40-I44 HydrophobicContact CG2-CD1 3.72Å; I40-I44 HydrophobicContact CG2-CG1 3.89Å; I40-I44 WeakPolarHBondContact O-CG1 3.49Å; I40-I44 PolarHBondContact O-N 2.89Å; I44-L46 PolarHBondContact O-N 3.24Å; I44-L46 VanDerWaalsContact O-N 3.1Å; I44-R47 PolarHBondContact O-N 3.09Å; I44-R47 VanDerWaalsContact O-N 3.07Å; I44-L48 HydrophobicContact CG2-CD1 3.87Å; I44-L48 HydrophobicContact CG2-CD2 4.25Å; I44-L48 HydrophobicContact CG2-CG 4.04Å; I44-L48 WeakPolarHBondContact O-CG 3.48Å; I44-L48 PolarHBondContact O-N 3.31Å; I44-L70 HydrophobicContact CB-CD2 4.04Å; I44-L70 HydrophobicContact CD1-CD2 3.85Å; I44-L70 HydrophobicContact CD1-CG 4.2Å; I44-L70 HydrophobicContact CG2-CD2 4Å; I44-L70 HydrophobicContact CG2-CG 4.42Å; I44-K71 HydrophobicContact CD1-CG 4.3Å; I44-L74 HydrophobicContact CG2-CD1 3.64Å
45P95.8Very high93.6Very high19 Ų1951.6 Ų51.612%0.12329%0.287CS..G310 helixtrans-64.9-20.2-174.126.2-35.8000114A41 R47 Y56A41-P45 WeakPolarHBondContact O-CD 3.4Å; A41-P45 WeakPolarHBondContact O-CG 3.5Å; P45-R47 PolarHBondContact O-N 2.64Å; P45-Y56 HydrophobicContact CB-CD1 4.11Å; P45-Y56 HydrophobicContact CB-CD2 4.19Å; P45-Y56 HydrophobicContact CB-CE1 3.73Å; P45-Y56 HydrophobicContact CB-CE2 3.8Å; P45-Y56 HydrophobicContact CB-CG 4.33Å; P45-Y56 HydrophobicContact CG-CE1 4.48Å; P45-Y56 HydrophobicContact CG-CE2 4.06Å
46L95Very high93.9Very high99 Ų9949 Ų4952%0.51828%0.278SS..G310 helixtrans-68.8-18.4177.7-58.1176.6000112.8L7 E42 V43 I44L7-L46 HydrophobicContact CD1-CB 4.29Å; L7-L46 HydrophobicContact CD1-CD1 4.18Å; L7-L46 HydrophobicContact CD2-CB 4.22Å; L7-L46 HydrophobicContact CD2-CD1 4.01Å; E42-L46 WeakPolarHBondContact O-CD1 3.42Å; E42-L46 WeakPolarHBondContact O-CG 3.36Å; V43-L46 WeakPolarHBondContact O-CB 3.42Å; V43-L46 PolarHBondContact O-N 3.46Å; V43-L46 VanDerWaalsContact O-N 3.12Å; I44-L46 PolarHBondContact O-N 3.24Å; I44-L46 VanDerWaalsContact O-N 3.1Å
47R96.1Very high94.3Very high39 Ų3951 Ų5115%0.14728%0.277CS..THydrogen-bonded Turntrans-121.92.3-175.9-56.6-56.5-67.8139.9-3.9112.9L7 I10 E12 Y13 W24 I44 P45L7-R47 HydrophobicContact CD2-CG 4.28Å; L7-R47 PolarHBondContact O-NE 3.43Å; I10-R47 HydrophobicContact CB-CG 3.97Å; I10-R47 HydrophobicContact CG2-CB 3.89Å; I10-R47 HydrophobicContact CG2-CG 3.71Å; I10-R47 PolarHBondContact O-NE 3.09Å; I10-R47 PolarHBondContact O-NH2 2.86Å; E12-R47 CarbonylContact C-O 3.56Å; E12-R47 VanDerWaalsContact CA-O 3.27Å; E12-R47 WeakPolarHBondContact CA-O 3.41Å; E12-R47 IonicContact OE1-CZ 2.78Å; E12-R47 IonicContact OE1-NH1 2.64Å; E12-R47 PolarHBondContact OE1-NH1 3.09Å; E12-R47 IonicContact OE1-NH2 3.78Å; Y13-R47 PolarHBondContact N-O 3.19Å; W24-R47 HydrophobicContact CH2-CB 4.48Å; W24-R47 HydrophobicContact CZ2-CB 3.78Å; I44-R47 PolarHBondContact O-N 3.09Å; I44-R47 VanDerWaalsContact O-N 3.07Å; P45-R47 PolarHBondContact O-N 2.64Å
48L96.7Very high94.6Very high10 Ų1056.7 Ų56.75%0.05230%0.302CS..BIsolated β-bridgetrans-79.5141.3167.7-61.4-175.3000109.8Y13 W24 I44 A52 F53 Y56 L74Y13-L48 HydrophobicContact CD1-CD2 4.06Å; Y13-L48 WeakPolarHBondContact O-CA 3.35Å; W24-L48 HydrophobicContact CH2-CD2 3.57Å; W24-L48 HydrophobicContact CH2-CG 4.39Å; W24-L48 HydrophobicContact CZ2-CD2 4.19Å; W24-L48 HydrophobicContact CZ3-CD2 3.93Å; I44-L48 HydrophobicContact CG2-CD1 3.87Å; I44-L48 HydrophobicContact CG2-CD2 4.25Å; I44-L48 HydrophobicContact CG2-CG 4.04Å; I44-L48 WeakPolarHBondContact O-CG 3.48Å; I44-L48 PolarHBondContact O-N 3.31Å; L48-A52 HydrophobicContact CB-CB 4.28Å; L48-A52 HydrophobicContact CD2-CB 3.97Å; L48-A52 HydrophobicContact CG-CB 4.49Å; L48-F53 HydrophobicContact CB-CB 4.12Å; L48-F53 HydrophobicContact CB-CD2 4.21Å; L48-Y56 HydrophobicContact CD1-CD2 4.47Å; L48-Y56 HydrophobicContact CD1-CG 4.3Å; L48-L74 HydrophobicContact CD1-CD1 4.27Å; L48-L74 HydrophobicContact CD1-CD2 4.12Å
49T96.4Very high95.1Very high36 Ų3650.3 Ų50.322%0.22127%0.268CS..  trans-132.6168.6174.958.30000110.2E12 Y13 D14 G51 A52 F53E12-T49 HydrophobicContact CB-CG2 4.04Å; E12-T49 HydrophobicContact CG-CG2 4.17Å; Y13-T49 PolarHBondContact O-N 2.69Å; Y13-T49 PolarHBondContact O-OG1 3.32Å; D14-T49 WeakPolarHBondContact CA-OG1 3.3Å; D14-T49 WeakPolarHBondContact CB-OG1 3.38Å; T49-G51 PolarHBondContact O-N 2.87Å; T49-A52 PolarHBondContact O-N 3.18Å; T49-A52 VanDerWaalsContact O-N 3.09Å; T49-F53 PolarHBondContact O-N 3.05Å; T49-F53 VanDerWaalsContact O-N 3.09Å
50D94.7Very high95.4Very high127 Ų12750.3 Ų50.368%0.67927%0.272SS*.Hα-helixtrans42.3-119.1172.8-60.1-45.6000114.7D14 A52 F53 A54D14-D50 HydrophobicContact CB-CB 4.29Å; D50-A52 VanDerWaalsContact C-N 3.35Å; D50-A52 PolarHBondContact O-N 3.4Å; D50-F53 PolarHBondContact O-N 2.97Å; D50-A54 PolarHBondContact O-N 3.01Å
51G92.7Very high95.5Very high35 Ų3553.5 Ų53.536%0.36129%0.29SS..Hα-helixtrans-63.2-39.4-175.800000112.5D14 T49 A54 V55D14-G51 PolarHBondContact O-N 3.43Å; T49-G51 PolarHBondContact O-N 2.87Å; G51-A54 WeakPolarHBondContact O-CB 3.25Å; G51-A54 PolarHBondContact O-N 3.38Å; G51-V55 PolarHBondContact O-N 3.38Å
52A95.5Very high95.4Very high0 Ų058.7 Ų58.70%032%0.317CS..Hα-helixtrans-65.1-41.1177.800000112.8Y13 D14 L48 T49 D50 A54 V55 Y56 F78Y13-A52 HydrophobicContact CD1-CB 3.6Å; Y13-A52 HydrophobicContact CE1-CB 4.01Å; Y13-A52 WeakPolarHBondContact O-CB 3.28Å; D14-A52 PolarHBondContact O-N 2.89Å; L48-A52 HydrophobicContact CB-CB 4.28Å; L48-A52 HydrophobicContact CD2-CB 3.97Å; L48-A52 HydrophobicContact CG-CB 4.49Å; T49-A52 PolarHBondContact O-N 3.18Å; T49-A52 VanDerWaalsContact O-N 3.09Å; D50-A52 VanDerWaalsContact C-N 3.35Å; D50-A52 PolarHBondContact O-N 3.4Å; A52-A54 VanDerWaalsContact C-N 3.34Å; A52-V55 PolarHBondContact O-N 2.85Å; A52-Y56 PolarHBondContact O-N 2.88Å; A52-F78 HydrophobicContact CB-CE2 3.93Å; A52-F78 HydrophobicContact CB-CZ 3.94Å
53F97Very high95.5Very high79 Ų7955.6 Ų55.635%0.34630%0.302SS..Hα-helixtrans-68.1-36.8175.1-168.9-112.1000111.8L48 T49 D50 V55 Y56 L57L48-F53 HydrophobicContact CB-CB 4.12Å; L48-F53 HydrophobicContact CB-CD2 4.21Å; T49-F53 PolarHBondContact O-N 3.05Å; T49-F53 VanDerWaalsContact O-N 3.09Å; D50-F53 PolarHBondContact O-N 2.97Å; F53-V55 PolarHBondContact O-N 3.47Å; F53-Y56 HydrophobicContact CD2-CD1 4.22Å; F53-Y56 AromaticContact CE2-CD1 3.98Å; F53-Y56 HydrophobicContact CE2-CD1 3.98Å; F53-Y56 HydrophobicContact CE2-CE1 4.4Å; F53-Y56 WeakPolarHBondContact O-CB 3.49Å; F53-Y56 PolarHBondContact O-N 3.46Å; F53-L57 HydrophobicContact CD1-CD1 3.96Å; F53-L57 HydrophobicContact CD1-CG 4.27Å; F53-L57 HydrophobicContact CE1-CD1 3.65Å; F53-L57 HydrophobicContact CE1-CD2 4.26Å; F53-L57 HydrophobicContact CE1-CG 3.98Å; F53-L57 HydrophobicContact CZ-CD1 4.34Å; F53-L57 HydrophobicContact CZ-CD2 4.11Å; F53-L57 HydrophobicContact CZ-CG 4.24Å; F53-L57 WeakPolarHBondContact O-CG 3.5Å; F53-L57 PolarHBondContact O-N 3.15Å
54A96.3Very high95.6Very high44 Ų4457.9 Ų57.936%0.36431%0.31SS..Hα-helixtrans-62.1-40.6174.900000112.5D50 G51 A52 L57 Q58D50-A54 PolarHBondContact O-N 3.01Å; G51-A54 WeakPolarHBondContact O-CB 3.25Å; G51-A54 PolarHBondContact O-N 3.38Å; A52-A54 VanDerWaalsContact C-N 3.34Å; A54-L57 PolarHBondContact O-N 3.22Å; A54-Q58 WeakPolarHBondContact O-CG 3.4Å; A54-Q58 PolarHBondContact O-N 3.28Å
55V95.2Very high95.5Very high35 Ų3564.8 Ų64.821%0.21234%0.34CS..Hα-helixtrans-63.2-46.4173.5168.50000110.8G51 A52 F53 L57 Q58 L59 L74 A77 F78G51-V55 PolarHBondContact O-N 3.38Å; A52-V55 PolarHBondContact O-N 2.85Å; F53-V55 PolarHBondContact O-N 3.47Å; V55-L57 PolarHBondContact O-N 2.93Å; V55-Q58 WeakPolarHBondContact O-CB 3.38Å; V55-Q58 PolarHBondContact O-N 3.28Å; V55-L59 PolarHBondContact O-N 3.28Å; V55-L74 HydrophobicContact CG1-CD2 4.43Å; V55-A77 HydrophobicContact CG1-CB 3.76Å; V55-A77 HydrophobicContact CG2-CB 4.21Å; V55-F78 HydrophobicContact CB-CE2 3.94Å; V55-F78 HydrophobicContact CB-CZ 3.99Å; V55-F78 HydrophobicContact CG1-CE2 4.18Å; V55-F78 HydrophobicContact CG2-CE2 3.91Å; V55-F78 HydrophobicContact CG2-CZ 3.54Å
56Y96.9Very high95.4Very high37 Ų3765.4 Ų65.415%0.14535%0.345CS..Hα-helixtrans-53.6-42175.7171.9-96000112.3P45 L48 A52 F53 Q58 L59 R64 L70P45-Y56 HydrophobicContact CB-CD1 4.11Å; P45-Y56 HydrophobicContact CB-CD2 4.19Å; P45-Y56 HydrophobicContact CB-CE1 3.73Å; P45-Y56 HydrophobicContact CB-CE2 3.8Å; P45-Y56 HydrophobicContact CB-CG 4.33Å; P45-Y56 HydrophobicContact CG-CE1 4.48Å; P45-Y56 HydrophobicContact CG-CE2 4.06Å; L48-Y56 HydrophobicContact CD1-CD2 4.47Å; L48-Y56 HydrophobicContact CD1-CG 4.3Å; A52-Y56 PolarHBondContact O-N 2.88Å; F53-Y56 HydrophobicContact CD2-CD1 4.22Å; F53-Y56 AromaticContact CE2-CD1 3.98Å; F53-Y56 HydrophobicContact CE2-CD1 3.98Å; F53-Y56 HydrophobicContact CE2-CE1 4.4Å; F53-Y56 WeakPolarHBondContact O-CB 3.49Å; F53-Y56 PolarHBondContact O-N 3.46Å; Y56-Q58 PolarHBondContact O-N 3.18Å; Y56-L59 WeakPolarHBondContact O-CB 3.38Å; Y56-L59 PolarHBondContact O-N 3.13Å; Y56-R64 HydrophobicContact CD2-CG 4.22Å; Y56-R64 HydrophobicContact CE2-CB 4.05Å; Y56-R64 HydrophobicContact CE2-CG 3.68Å; Y56-R64 PolarHBondContact O-NE 2.99Å; Y56-R64 PolarHBondContact O-NH2 3.34Å; Y56-L70 HydrophobicContact CD2-CD1 3.74Å; Y56-L70 HydrophobicContact CE2-CD1 4.13Å; Y56-L70 HydrophobicContact CE2-CD2 4.36Å
57L96.8Very high95.3Very high93 Ų9362.5 Ų62.549%0.48733%0.332SS..THydrogen-bonded Turntrans-70.4-10.7177.6-69.7-178.4000115F53 A54 V55 R64F53-L57 HydrophobicContact CD1-CD1 3.96Å; F53-L57 HydrophobicContact CD1-CG 4.27Å; F53-L57 HydrophobicContact CE1-CD1 3.65Å; F53-L57 HydrophobicContact CE1-CD2 4.26Å; F53-L57 HydrophobicContact CE1-CG 3.98Å; F53-L57 HydrophobicContact CZ-CD1 4.34Å; F53-L57 HydrophobicContact CZ-CD2 4.11Å; F53-L57 HydrophobicContact CZ-CG 4.24Å; F53-L57 WeakPolarHBondContact O-CG 3.5Å; F53-L57 PolarHBondContact O-N 3.15Å; A54-L57 PolarHBondContact O-N 3.22Å; V55-L57 PolarHBondContact O-N 2.93Å; L57-R64 VanDerWaalsContact CA-NH2 3.3Å; L57-R64 PolarHBondContact O-NH2 3.26Å
58Q96.4Very high95.2Very high160 Ų16064 Ų6475%0.74835%0.347SS*.THydrogen-bonded Turntrans-93.6-17.7173.7-67.4176.840.200112.7A54 V55 Y56A54-Q58 WeakPolarHBondContact O-CG 3.4Å; A54-Q58 PolarHBondContact O-N 3.28Å; V55-Q58 WeakPolarHBondContact O-CB 3.38Å; V55-Q58 PolarHBondContact O-N 3.28Å; Y56-Q58 PolarHBondContact O-N 3.18Å
59L96.5Very high95.2Very high22 Ų2270.2 Ų70.212%0.11537%0.37CS..SBendtrans-65.9149.2176.6-56-177.2000111.4V55 Y56 E63 R64 L70 A73V55-L59 PolarHBondContact O-N 3.28Å; Y56-L59 WeakPolarHBondContact O-CB 3.38Å; Y56-L59 PolarHBondContact O-N 3.13Å; L59-E63 HydrophobicContact CB-CB 4.05Å; L59-R64 HydrophobicContact CB-CG 3.94Å; L59-R64 VanDerWaalsContact O-CZ 3.25Å; L59-R64 PolarHBondContact O-NE 3.37Å; L59-R64 VanDerWaalsContact O-NE 3.17Å; L59-R64 PolarHBondContact O-NH2 3.47Å; L59-L70 HydrophobicContact CD1-CD1 3.55Å; L59-A73 HydrophobicContact CD1-CB 3.93Å; L59-A73 HydrophobicContact CD2-CB 3.63Å; L59-A73 HydrophobicContact CG-CB 4.45Å
60S96Very high95.2Very high55 Ų5568.5 Ų68.539%0.38536%0.359SS..  trans-67.8159.717164.60000111.8D62 E63 R64S60-D62 PolarHBondContact O-N 3.11Å; S60-E63 WeakPolarHBondContact CB-OE2 3.5Å; S60-E63 PolarHBondContact N-OE2 3.43Å; S60-E63 PolarHBondContact O-N 3.47Å; S60-E63 VanDerWaalsContact O-N 3.13Å; S60-E63 WeakPolarHBondContact OG-CG 3.35Å; S60-E63 PolarHBondContact OG-N 3.24Å; S60-E63 PolarHBondContact OG-OE2 3.19Å; S60-R64 WeakPolarHBondContact O-CG 3.43Å; S60-R64 PolarHBondContact O-N 3.44Å
61D94.3Very high95.2Very high96 Ų9665 Ų6551%0.51334%0.338SS..Hα-helixtrans-58.1-34.8176.7-80.7-4.5000112.6R64 K65D61-R64 PolarHBondContact O-N 3.33Å; D61-K65 WeakPolarHBondContact O-CB 3.28Å; D61-K65 WeakPolarHBondContact O-CD 3.28Å; D61-K65 VanDerWaalsContact O-CG 3.25Å; D61-K65 WeakPolarHBondContact O-CG 3.31Å; D61-K65 PolarHBondContact O-N 3.27Å
62D93.9Very high95.3Very high113 Ų11368.2 Ų68.260%0.60435%0.347SS*.Hα-helixtrans-67.5-38178.5-72.1-20.2000111.8S60 S66S60-D62 PolarHBondContact O-N 3.11Å; D62-S66 VanDerWaalsContact O-CB 3.28Å; D62-S66 WeakPolarHBondContact O-CB 3.38Å; D62-S66 PolarHBondContact O-N 3.24Å
63E94.1Very high95.3Very high62 Ų6269 Ų6929%0.2935%0.354SS..Hα-helixtrans-69.1-45.3174.3-71.3164.9128.600110.9L59 S60 K65 S66 R69 L70L59-E63 HydrophobicContact CB-CB 4.05Å; S60-E63 WeakPolarHBondContact CB-OE2 3.5Å; S60-E63 PolarHBondContact N-OE2 3.43Å; S60-E63 PolarHBondContact O-N 3.47Å; S60-E63 VanDerWaalsContact O-N 3.13Å; S60-E63 WeakPolarHBondContact OG-CG 3.35Å; S60-E63 PolarHBondContact OG-N 3.24Å; S60-E63 PolarHBondContact OG-OE2 3.19Å; E63-K65 VanDerWaalsContact C-N 3.29Å; E63-K65 PolarHBondContact O-N 3.01Å; E63-S66 PolarHBondContact O-N 2.78Å; E63-R69 HydrophobicContact CB-CB 4.45Å; E63-R69 HydrophobicContact CG-CB 4.35Å; E63-L70 PolarHBondContact O-N 3.17Å
64R95.7Very high95.2Very high54 Ų5465.3 Ų65.320%0.20434%0.337CS..Hα-helixtrans-63.4-32.1-179.8-68.7-178.3-169.9159.819.1113.8A41 Y56 L57 L59 S60 D61A41-R64 WeakPolarHBondContact CB-O 3.4Å; Y56-R64 HydrophobicContact CD2-CG 4.22Å; Y56-R64 HydrophobicContact CE2-CB 4.05Å; Y56-R64 HydrophobicContact CE2-CG 3.68Å; Y56-R64 PolarHBondContact O-NE 2.99Å; Y56-R64 PolarHBondContact O-NH2 3.34Å; L57-R64 VanDerWaalsContact CA-NH2 3.3Å; L57-R64 PolarHBondContact O-NH2 3.26Å; L59-R64 HydrophobicContact CB-CG 3.94Å; L59-R64 VanDerWaalsContact O-CZ 3.25Å; L59-R64 PolarHBondContact O-NE 3.37Å; L59-R64 VanDerWaalsContact O-NE 3.17Å; L59-R64 PolarHBondContact O-NH2 3.47Å; S60-R64 WeakPolarHBondContact O-CG 3.43Å; S60-R64 PolarHBondContact O-N 3.44Å; D61-R64 PolarHBondContact O-N 3.33Å
65K93.6Very high95.1Very high146 Ų14665.8 Ų65.864%0.63533%0.333SS*.Hα-helixtrans-85.9-12.3-179.5-70.3170.4-173.7166.70113.3D61 E63 P67D61-K65 WeakPolarHBondContact O-CB 3.28Å; D61-K65 WeakPolarHBondContact O-CD 3.28Å; D61-K65 VanDerWaalsContact O-CG 3.25Å; D61-K65 WeakPolarHBondContact O-CG 3.31Å; D61-K65 PolarHBondContact O-N 3.27Å; E63-K65 VanDerWaalsContact C-N 3.29Å; E63-K65 PolarHBondContact O-N 3.01Å; K65-P67 WeakPolarHBondContact O-CD 3.44Å
66S94Very high95Very high32 Ų3268.4 Ų68.422%0.22436%0.359CS..  trans-105107.7-176.9-177.60000109.9D62 E63 P68 R69 L70D62-S66 VanDerWaalsContact O-CB 3.28Å; D62-S66 WeakPolarHBondContact O-CB 3.38Å; D62-S66 PolarHBondContact O-N 3.24Å; E63-S66 PolarHBondContact O-N 2.78Å; S66-P68 VanDerWaalsContact C-CD 3.48Å; S66-P68 WeakPolarHBondContact OG-CD 3.47Å; S66-P68 WeakPolarHBondContact OG-CG 3.45Å; S66-R69 PolarHBondContact O-N 2.69Å; S66-R69 VanDerWaalsContact O-N 3.15Å; S66-L70 WeakPolarHBondContact O-CB 3.47Å; S66-L70 PolarHBondContact O-N 2.86Å
67P93Very high94.9Very high38 Ų3869 Ų6925%0.24737%0.371CS..Hα-helixtrans-49.8-45.4177.1-25.832.3000115A41 K65 K71A41-P67 HydrophobicContact CB-CB 4.49Å; A41-P67 HydrophobicContact CB-CG 3.95Å; K65-P67 WeakPolarHBondContact O-CD 3.44Å; P67-K71 WeakPolarHBondContact O-CE 3.49Å; P67-K71 VanDerWaalsContact O-CG 3.28Å; P67-K71 WeakPolarHBondContact O-CG 3.43Å; P67-K71 PolarHBondContact O-N 3.23Å; P67-K71 VanDerWaalsContact O-N 3.13Å
68P94.5Very high94.7Very high69 Ų6966.4 Ų66.445%0.44836%0.356SS..Hα-helixtrans-64.4-46.217824-32.6000112S66 L70 K71 D72S66-P68 VanDerWaalsContact C-CD 3.48Å; S66-P68 WeakPolarHBondContact OG-CD 3.47Å; S66-P68 WeakPolarHBondContact OG-CG 3.45Å; P68-L70 PolarHBondContact O-N 3.4Å; P68-K71 PolarHBondContact O-N 3.37Å; P68-D72 PolarHBondContact O-N 3.37Å
69R95.5Very high94.2Very high142 Ų14261.6 Ų61.654%0.53634%0.343SS..Hα-helixtrans-66.9-39-178.5-63.7-174.2171.7-173.2-2.2112.8E63 S66 K71 D72 A73E63-R69 HydrophobicContact CB-CB 4.45Å; E63-R69 HydrophobicContact CG-CB 4.35Å; S66-R69 PolarHBondContact O-N 2.69Å; S66-R69 VanDerWaalsContact O-N 3.15Å; R69-K71 VanDerWaalsContact C-N 3.34Å; R69-D72 PolarHBondContact O-N 3.24Å; R69-A73 WeakPolarHBondContact O-CB 3.33Å; R69-A73 PolarHBondContact O-N 3.38Å
70L95.8Very high93.4Very high0 Ų063.8 Ų63.80%036%0.358CS..Hα-helixtrans-60.6-45.5175.3174.956.7000111A41 I44 Y56 L59 E63 S66 P68 A73 L74A41-L70 HydrophobicContact CB-CD2 3.98Å; I44-L70 HydrophobicContact CB-CD2 4.04Å; I44-L70 HydrophobicContact CD1-CD2 3.85Å; I44-L70 HydrophobicContact CD1-CG 4.2Å; I44-L70 HydrophobicContact CG2-CD2 4Å; I44-L70 HydrophobicContact CG2-CG 4.42Å; Y56-L70 HydrophobicContact CD2-CD1 3.74Å; Y56-L70 HydrophobicContact CE2-CD1 4.13Å; Y56-L70 HydrophobicContact CE2-CD2 4.36Å; L59-L70 HydrophobicContact CD1-CD1 3.55Å; E63-L70 PolarHBondContact O-N 3.17Å; S66-L70 WeakPolarHBondContact O-CB 3.47Å; S66-L70 PolarHBondContact O-N 2.86Å; P68-L70 PolarHBondContact O-N 3.4Å; L70-A73 PolarHBondContact O-N 2.99Å; L70-L74 HydrophobicContact CD1-CD1 3.95Å; L70-L74 HydrophobicContact CD1-CG 4.14Å; L70-L74 HydrophobicContact CG-CD1 4.19Å; L70-L74 WeakPolarHBondContact O-CG 3.37Å; L70-L74 PolarHBondContact O-N 3.06Å
71K95.2Very high92.5Very high53 Ų5365.5 Ų65.523%0.2336%0.363CS..Hα-helixtrans-62.4-47.2176.3-72.6-173.1-61.5170.30111.6L25 E29 I44 P67 P68 R69 A73 L74 L75L25-K71 HydrophobicContact CD1-CB 4.19Å; L25-K71 HydrophobicContact CD1-CG 4.13Å; L25-K71 HydrophobicContact CD2-CG 4.07Å; E29-K71 WeakPolarHBondContact OE1-CD 3.42Å; E29-K71 WeakPolarHBondContact OE1-CE 3.44Å; E29-K71 IonicContact OE1-NZ 3.66Å; E29-K71 PolarHBondContact OE1-NZ 3.13Å; I44-K71 HydrophobicContact CD1-CG 4.3Å; P67-K71 WeakPolarHBondContact O-CE 3.49Å; P67-K71 VanDerWaalsContact O-CG 3.28Å; P67-K71 WeakPolarHBondContact O-CG 3.43Å; P67-K71 PolarHBondContact O-N 3.23Å; P67-K71 VanDerWaalsContact O-N 3.13Å; P68-K71 PolarHBondContact O-N 3.37Å; R69-K71 VanDerWaalsContact C-N 3.34Å; K71-A73 VanDerWaalsContact C-N 3.29Å; K71-A73 PolarHBondContact O-N 2.97Å; K71-L74 PolarHBondContact O-N 3.27Å; K71-L75 WeakPolarHBondContact O-CB 3.5Å; K71-L75 VanDerWaalsContact O-CG 3.31Å; K71-L75 WeakPolarHBondContact O-CG 3.4Å; K71-L75 PolarHBondContact O-N 3.44Å
72D95.6Very high91.6Very high103 Ų10365.9 Ų65.955%0.55137%0.37SS*.Hα-helixtrans-59.9-41.5179.3-66.7-17.6000111.3P68 R69 L75 A76P68-D72 PolarHBondContact O-N 3.37Å; R69-D72 PolarHBondContact O-N 3.24Å; D72-L75 PolarHBondContact O-N 3.04Å; D72-A76 VanDerWaalsContact O-CB 3.3Å; D72-A76 WeakPolarHBondContact O-CB 3.43Å; D72-A76 PolarHBondContact O-N 3.25Å
73A95.6Very high90.8Very high17 Ų1767.5 Ų67.514%0.1437%0.369CS..Hα-helixtrans-67.5-41.217800000112.8L59 R69 L70 K71 A76 A77L59-A73 HydrophobicContact CD1-CB 3.93Å; L59-A73 HydrophobicContact CD2-CB 3.63Å; L59-A73 HydrophobicContact CG-CB 4.45Å; R69-A73 WeakPolarHBondContact O-CB 3.33Å; R69-A73 PolarHBondContact O-N 3.38Å; L70-A73 PolarHBondContact O-N 2.99Å; K71-A73 VanDerWaalsContact C-N 3.29Å; K71-A73 PolarHBondContact O-N 2.97Å; A73-A76 PolarHBondContact O-N 2.98Å; A73-A77 WeakPolarHBondContact O-CB 3.34Å; A73-A77 PolarHBondContact O-N 3.42Å
74L95.1Very high90Very high0 Ų069 Ų690%038%0.379CS..Hα-helixtrans-67.8-40.4175.7-71173000111.8I21 I44 L48 V55 L70 K71 A77 F78I21-L74 HydrophobicContact CD1-CB 4.23Å; I21-L74 HydrophobicContact CG1-CB 4.28Å; I44-L74 HydrophobicContact CG2-CD1 3.64Å; L48-L74 HydrophobicContact CD1-CD1 4.27Å; L48-L74 HydrophobicContact CD1-CD2 4.12Å; V55-L74 HydrophobicContact CG1-CD2 4.43Å; L70-L74 HydrophobicContact CD1-CD1 3.95Å; L70-L74 HydrophobicContact CD1-CG 4.14Å; L70-L74 HydrophobicContact CG-CD1 4.19Å; L70-L74 WeakPolarHBondContact O-CG 3.37Å; L70-L74 PolarHBondContact O-N 3.06Å; K71-L74 PolarHBondContact O-N 3.27Å; L74-A77 PolarHBondContact O-N 3.27Å; L74-F78 HydrophobicContact CD2-CD2 4.29Å; L74-F78 HydrophobicContact CD2-CE2 4.05Å; L74-F78 WeakPolarHBondContact O-CD2 3.45Å; L74-F78 PolarHBondContact O-N 2.81Å
75L94.4Very high89.1Confident55 Ų5568.6 Ų68.629%0.28839%0.387SS..Hα-helixtrans-61.1-46.5172.9-75166000110.6I21 A22 L25 K71 D72 A77 F78 A79I21-L75 HydrophobicContact CG2-CD2 4Å; A22-L75 HydrophobicContact CB-CD2 4.11Å; L25-L75 HydrophobicContact CD1-CD1 4.41Å; L25-L75 HydrophobicContact CD1-CD2 4.28Å; L25-L75 HydrophobicContact CD1-CG 4.01Å; K71-L75 WeakPolarHBondContact O-CB 3.5Å; K71-L75 VanDerWaalsContact O-CG 3.31Å; K71-L75 WeakPolarHBondContact O-CG 3.4Å; K71-L75 PolarHBondContact O-N 3.44Å; D72-L75 PolarHBondContact O-N 3.04Å; L75-A77 PolarHBondContact O-N 3.43Å; L75-F78 PolarHBondContact O-N 2.85Å; L75-A79 WeakPolarHBondContact O-CA 3.3Å; L75-A79 WeakPolarHBondContact O-CB 3.5Å; L75-A79 PolarHBondContact O-N 3.48Å
76A93.3Very high88.4Confident90 Ų9068.3 Ų68.374%0.74438%0.383SS*.Hα-helixtrans-62-30.2177.800000113.2D72 A73D72-A76 VanDerWaalsContact O-CB 3.3Å; D72-A76 WeakPolarHBondContact O-CB 3.43Å; D72-A76 PolarHBondContact O-N 3.25Å; A73-A76 PolarHBondContact O-N 2.98Å
77A93.2Very high87.8Confident49 Ų4970.5 Ų70.541%0.40539%0.39SS..Hα-helixtrans-84.4-30.7-179.400000114.2V55 A73 L74 L75V55-A77 HydrophobicContact CG1-CB 3.76Å; V55-A77 HydrophobicContact CG2-CB 4.21Å; A73-A77 WeakPolarHBondContact O-CB 3.34Å; A73-A77 PolarHBondContact O-N 3.42Å; L74-A77 PolarHBondContact O-N 3.27Å; L75-A77 PolarHBondContact O-N 3.43Å
78F93Very high87.1Confident38 Ų3875.6 Ų75.617%0.16741%0.41CS..Hα-helixtrans-127.8-7.4-168.8-61.9-68.6000115.4Y13 G15 I21 A52 V55 L74 L75 V80Y13-F78 HydrophobicContact CE1-CB 4.29Å; Y13-F78 HydrophobicContact CE1-CD1 4.49Å; Y13-F78 HydrophobicContact CE1-CD2 4.04Å; Y13-F78 HydrophobicContact CE1-CG 4.01Å; Y13-F78 WeakPolarHBondContact OH-CB 3.32Å; G15-F78 VanDerWaalsContact CA-CD1 3.48Å; G15-F78 VanDerWaalsContact CA-CE1 3.44Å; G15-F78 WeakPolarHBondContact O-CD1 2.98Å; I21-F78 HydrophobicContact CB-CB 4.05Å; I21-F78 HydrophobicContact CG1-CB 4.46Å; I21-F78 HydrophobicContact CG2-CB 3.91Å; A52-F78 HydrophobicContact CB-CE2 3.93Å; A52-F78 HydrophobicContact CB-CZ 3.94Å; V55-F78 HydrophobicContact CB-CE2 3.94Å; V55-F78 HydrophobicContact CB-CZ 3.99Å; V55-F78 HydrophobicContact CG1-CE2 4.18Å; V55-F78 HydrophobicContact CG2-CE2 3.91Å; V55-F78 HydrophobicContact CG2-CZ 3.54Å; L74-F78 HydrophobicContact CD2-CD2 4.29Å; L74-F78 HydrophobicContact CD2-CE2 4.05Å; L74-F78 WeakPolarHBondContact O-CD2 3.45Å; L74-F78 PolarHBondContact O-N 2.81Å; L75-F78 PolarHBondContact O-N 2.85Å; F78-V80 PolarHBondContact O-N 2.91Å
79A87.1Confident86.4Confident59 Ų5980.4 Ų80.449%0.48843%0.425SS..SBendtrans-65.2134.5173.800000109.5I21 L75I21-A79 HydrophobicContact CG2-CB 4.49Å; L75-A79 WeakPolarHBondContact O-CA 3.3Å; L75-A79 WeakPolarHBondContact O-CB 3.5Å; L75-A79 PolarHBondContact O-N 3.48Å
80V79.2Confident86.2Confident69 Ų6977.8 Ų77.842%0.41842%0.42SS..PPolyproline II helixtrans-61.7137.3175.3-1790000108.7F78 D84 A85F78-V80 PolarHBondContact O-N 2.91Å; V80-D84 HydrophobicContact CG1-CB 3.54Å; V80-A85 HydrophobicContact CG1-CB 4.06Å
81D77.3Confident85.2Confident91 Ų9184.5 Ų84.549%0.48748%0.476SS..PPolyproline II helixtrans-58.4140.1175.9-176-86.1000109.7Y83 D84 A85D81-Y83 PolarHBondContact O-N 3.38Å; D81-Y83 VanDerWaalsContact O-N 3.08Å; D81-Y83 WeakPolarHBondContact OD1-CB 3.36Å; D81-Y83 PolarHBondContact OD1-N 3.41Å; D81-D84 HydrophobicContact CB-CB 4.37Å; D81-D84 PolarHBondContact O-N 2.99Å; D81-A85 WeakPolarHBondContact O-CB 3.5Å; D81-A85 PolarHBondContact O-N 2.86Å
82P74.1Confident84.7Confident103 Ų10386.1 Ų86.167%0.66949%0.488SS*.Hα-helixtrans-54.3-30.2-179.7-27.635.1000114.5Y86P82-Y86 WeakPolarHBondContact O-CB 3.47Å; P82-Y86 PolarHBondContact O-N 3.01Å; P82-Y86 VanDerWaalsContact O-N 3.1Å
83Y78.5Confident84.1Confident148 Ų14885.2 Ų85.258%0.5849%0.485SS*.Hα-helixtrans-67.5-50.6174.4-177.2-100.9000110.9D81 A85 Y86 E87D81-Y83 PolarHBondContact O-N 3.38Å; D81-Y83 VanDerWaalsContact O-N 3.08Å; D81-Y83 WeakPolarHBondContact OD1-CB 3.36Å; D81-Y83 PolarHBondContact OD1-N 3.41Å; Y83-A85 VanDerWaalsContact C-N 3.29Å; Y83-A85 PolarHBondContact O-N 3.39Å; Y83-Y86 WeakPolarHBondContact O-CB 3.32Å; Y83-Y86 PolarHBondContact O-N 3.08Å; Y83-Y86 VanDerWaalsContact O-N 3.12Å; Y83-E87 HydrophobicContact CD1-CG 4.36Å; Y83-E87 HydrophobicContact CE1-CG 3.91Å; Y83-E87 HydrophobicContact CE2-CG 4.49Å; Y83-E87 PolarHBondContact O-N 3Å; Y83-E87 PolarHBondContact OH-OE1 3.1Å
84D77.3Confident83.5Confident92 Ų9289 Ų8949%0.49250%0.504SS..Hα-helixtrans-61.4-39.9178-66.3-24.9000111.2V80 D81 Y86 E87 E88V80-D84 HydrophobicContact CG1-CB 3.54Å; D81-D84 HydrophobicContact CB-CB 4.37Å; D81-D84 PolarHBondContact O-N 2.99Å; D84-Y86 VanDerWaalsContact C-N 3.31Å; D84-Y86 PolarHBondContact O-N 3.34Å; D84-E87 PolarHBondContact O-N 3.41Å; D84-E88 PolarHBondContact O-N 3.12Å
85A76.6Confident82.8Confident46 Ų4694.2 Ų94.238%0.3853%0.534SS..Hα-helixtrans-64.8-33.6176.600000112.6V80 D81 Y83 F89V80-A85 HydrophobicContact CG1-CB 4.06Å; D81-A85 WeakPolarHBondContact O-CB 3.5Å; D81-A85 PolarHBondContact O-N 2.86Å; Y83-A85 VanDerWaalsContact C-N 3.29Å; Y83-A85 PolarHBondContact O-N 3.39Å; A85-F89 PolarHBondContact O-N 2.94Å
86Y77.2Confident82.1Confident140 Ų14096.7 Ų96.755%0.54955%0.549SS..Hα-helixtrans-72.1-44.1174.9179-103000111.8P82 Y83 D84 E88 F89 I90P82-Y86 WeakPolarHBondContact O-CB 3.47Å; P82-Y86 PolarHBondContact O-N 3.01Å; P82-Y86 VanDerWaalsContact O-N 3.1Å; Y83-Y86 WeakPolarHBondContact O-CB 3.32Å; Y83-Y86 PolarHBondContact O-N 3.08Å; Y83-Y86 VanDerWaalsContact O-N 3.12Å; D84-Y86 VanDerWaalsContact C-N 3.31Å; D84-Y86 PolarHBondContact O-N 3.34Å; Y86-E88 VanDerWaalsContact C-N 3.29Å; Y86-E88 PolarHBondContact O-N 3.29Å; Y86-F89 WeakPolarHBondContact O-CB 3.36Å; Y86-F89 PolarHBondContact O-N 2.66Å; Y86-F89 VanDerWaalsContact O-N 3.11Å; Y86-I90 HydrophobicContact CD1-CD1 4.33Å; Y86-I90 HydrophobicContact CD2-CG2 4.48Å; Y86-I90 HydrophobicContact CE1-CD1 3.91Å; Y86-I90 HydrophobicContact CE1-CG2 4.07Å; Y86-I90 HydrophobicContact CE2-CG2 3.93Å; Y86-I90 PolarHBondContact O-N 2.83Å
87E81.7Confident81.3Confident79 Ų7997.1 Ų97.137%0.36954%0.536SS..Hα-helixtrans-60.6-38.5176.4-67.3-66.3141.200111.4Y83 D84 F89 I90 A91Y83-E87 HydrophobicContact CD1-CG 4.36Å; Y83-E87 HydrophobicContact CE1-CG 3.91Å; Y83-E87 HydrophobicContact CE2-CG 4.49Å; Y83-E87 PolarHBondContact O-N 3Å; Y83-E87 PolarHBondContact OH-OE1 3.1Å; D84-E87 PolarHBondContact O-N 3.41Å; E87-F89 VanDerWaalsContact C-N 3.33Å; E87-F89 PolarHBondContact O-N 3.39Å; E87-I90 WeakPolarHBondContact O-CG1 3.18Å; E87-I90 PolarHBondContact O-N 2.84Å; E87-A91 PolarHBondContact O-N 3.21Å
88E78.4Confident80.5Confident144 Ų144100.6 Ų100.667%0.67355%0.545SS*.Hα-helixtrans-67.3-30.5174.8-168.5172.1-165.200113D84 Y86D84-E88 PolarHBondContact O-N 3.12Å; Y86-E88 VanDerWaalsContact C-N 3.29Å; Y86-E88 PolarHBondContact O-N 3.29Å
89F81.3Confident79.5Confident171 Ų171105.4 Ų105.475%0.7557%0.574SS**Hα-helixtrans-74.2-30.2177.5176.3-99.8000113.6A85 Y86 E87A85-F89 PolarHBondContact O-N 2.94Å; Y86-F89 WeakPolarHBondContact O-CB 3.36Å; Y86-F89 PolarHBondContact O-N 2.66Å; Y86-F89 VanDerWaalsContact O-N 3.11Å; E87-F89 VanDerWaalsContact C-N 3.33Å; E87-F89 PolarHBondContact O-N 3.39Å
90I89.8Confident78.9Confident87 Ų87109.3 Ų109.345%0.44658%0.582SS.*Hα-helixtrans-93.2-10.2-177.864.8173.5000114.2Y86 E87Y86-I90 HydrophobicContact CD1-CD1 4.33Å; Y86-I90 HydrophobicContact CD2-CG2 4.48Å; Y86-I90 HydrophobicContact CE1-CD1 3.91Å; Y86-I90 HydrophobicContact CE1-CG2 4.07Å; Y86-I90 HydrophobicContact CE2-CG2 3.93Å; Y86-I90 PolarHBondContact O-N 2.83Å; E87-I90 WeakPolarHBondContact O-CG1 3.18Å; E87-I90 PolarHBondContact O-N 2.84Å
91A75Confident78.8Confident141 Ų141112.9 Ų112.9100%1.16560%0.596SS**  trans-78.10178.600000112.5E87E87-A91 PolarHBondContact O-N 3.21Å

Retrieved 91 of 91 residues in 141.3 ms (Link to these results)

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