A0A096N9J1_PAPAN Loading...

Zinc finger CCHC-type and RNA-binding motif-containing protein 1

AlphaFold DB , UniProt , Accession A0A096N9J1, Species PAPAN (Papio anubis, Olive baboon), Gene ZCRB1, Length 217 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
1M37.1Very low65.1Low249 Ų24981.9 Ų81.9100%1.22752%0.516SS*.  080.30-66.5-166.9177.400110.1G3M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 3.38Å
2S36.3Very low67.6Low112 Ų11275.1 Ų75.178%0.78347%0.473SS*.  trans-86.881.217042.10000108.1G4S2-G4 PolarHBondContact O-N 3.15Å
3G47.1Very low69.7Low56 Ų5674.9 Ų74.958%0.57746%0.458SS*.  trans-50.5117170.800000108.6M1 L5M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 3.38Å; G3-L5 WeakPolarHBondContact O-CD1 3.37Å; G3-L5 PolarHBondContact O-N 2.88Å
4G54.4Low71.4Confident77 Ų7769.6 Ų69.679%0.79443%0.426SS*.  trans-59102.9175.200000107.7S2 A6S2-G4 PolarHBondContact O-N 3.15Å; G4-A6 PolarHBondContact O-N 2.75Å
5L57.1Low73Confident90 Ų9066.3 Ų66.347%0.47141%0.407SS..  trans-70.1102.8174.2-75.3110.2000106.6G3 K38 L57G3-L5 WeakPolarHBondContact O-CD1 3.37Å; G3-L5 PolarHBondContact O-N 2.88Å; L5-K38 HydrophobicContact CD1-CD 3.55Å; L5-L57 HydrophobicContact CD2-CD2 3.17Å; L5-L57 HydrophobicContact CD2-CG 4.29Å
6A65.6Low74.3Confident46 Ų4667.7 Ų67.738%0.3841%0.411SS..  trans-56.2128.5162.900000107.1G4 S8 A92G4-A6 PolarHBondContact O-N 2.75Å; A6-S8 PolarHBondContact O-N 3.19Å; A6-A92 HydrophobicContact CB-CB 4.11Å
7P67.8Low75.4Confident34 Ų3464.2 Ų64.222%0.22139%0.389CS..  trans-57.3125.7174.924.5-32.2000108.2T11 A86 D88P7-T11 HydrophobicContact CB-CG2 4.43Å; P7-A86 HydrophobicContact CB-CB 3.9Å; P7-D88 HydrophobicContact CG-CB 3.75Å
8S80.4Confident76.3Confident51 Ų5161.2 Ų61.236%0.35737%0.371SS..  trans-113.8175.8-178.265.40000110A6 S10 T11A6-S8 PolarHBondContact O-N 3.19Å; S8-S10 PolarHBondContact O-N 3.45Å; S8-S10 PolarHBondContact OG-N 2.97Å; S8-T11 PolarHBondContact N-OG1 3.46Å; S8-T11 VanDerWaalsContact N-OG1 3.12Å; S8-T11 WeakPolarHBondContact O-CB 2.76Å; S8-T11 PolarHBondContact O-N 3.4Å; S8-T11 PolarHBondContact O-OG1 2.97Å; S8-T11 PolarHBondContact OG-OG1 3.07Å
9K85.6Confident77.1Confident163 Ų16364.5 Ų64.571%0.70938%0.381SS*.THydrogen-bonded Turntrans-58-17.4174.5-60.5-178.5-178-177.80113.4
10S91.6Very high77.7Confident14 Ų1465.9 Ų65.910%0.09839%0.394CS..THydrogen-bonded Turntrans-92.32.3175.1-43.50000113.5S8 F58 K61S8-S10 PolarHBondContact O-N 3.45Å; S8-S10 PolarHBondContact OG-N 2.97Å; S10-F58 WeakPolarHBondContact CB-O 3.43Å; S10-F58 PolarHBondContact O-N 3.25Å; S10-K61 VanDerWaalsContact OG-CG 3.28Å; S10-K61 WeakPolarHBondContact OG-CG 3.24Å
11T93Very high78.3Confident9 Ų963.4 Ų63.46%0.05538%0.378CS..EExtended strand (participates in β ladder)trans-99.4128179.8-49.40000110P7 S8 F55 I56 L57 A86P7-T11 HydrophobicContact CB-CG2 4.43Å; S8-T11 PolarHBondContact N-OG1 3.46Å; S8-T11 VanDerWaalsContact N-OG1 3.12Å; S8-T11 WeakPolarHBondContact O-CB 2.76Å; S8-T11 PolarHBondContact O-N 3.4Å; S8-T11 PolarHBondContact O-OG1 2.97Å; S8-T11 PolarHBondContact OG-OG1 3.07Å; T11-F55 HydrophobicContact CG2-CB 4.27Å; T11-F55 HydrophobicContact CG2-CD1 4.3Å; T11-I56 CarbonylContact C-O 3.56Å; T11-I56 WeakPolarHBondContact CA-O 3.4Å; T11-L57 WeakPolarHBondContact OG1-CD1 3.5Å; T11-A86 HydrophobicContact CG2-CB 3.84Å; T11-A86 VanDerWaalsContact O-CB 3.32Å; T11-A86 WeakPolarHBondContact O-CB 3.17Å; T11-A86 PolarHBondContact O-N 3.48Å
12V94.8Very high80.9Confident0 Ų055 Ų550%034%0.341CS..EExtended strand (participates in β ladder)trans-100.2130.5176.7179.60000109.3V14 F55 I56 F58 A64 C67 T68 A83V12-V14 HydrophobicContact CG1-CG2 3.86Å; V12-F55 WeakPolarHBondContact O-CA 3.16Å; V12-I56 PolarHBondContact N-O 2.96Å; V12-I56 PolarHBondContact O-N 2.85Å; V12-F58 HydrophobicContact CB-CE2 4.16Å; V12-F58 HydrophobicContact CG2-CD2 3.81Å; V12-F58 HydrophobicContact CG2-CE2 3.6Å; V12-A64 HydrophobicContact CG2-CB 3.62Å; V12-C67 HydrophobicContact CG2-CB 4.43Å; V12-T68 HydrophobicContact CB-CG2 4.41Å; V12-T68 HydrophobicContact CG1-CG2 3.69Å; V12-T68 HydrophobicContact CG2-CG2 3.97Å; V12-A83 HydrophobicContact CG1-CB 4.39Å
13Y94.7Very high83.6Confident73 Ų7353.1 Ų53.129%0.28632%0.322SS..EExtended strand (participates in β ladder)trans-92.5124.4168.8172.9-100.3000109.1V53 F55 A83 S84Y13-V53 HydrophobicContact CD2-CG1 3.99Å; Y13-V53 HydrophobicContact CE2-CG1 3.25Å; Y13-F55 HydrophobicContact CD2-CD1 4.25Å; Y13-F55 AromaticContact CD2-CE1 3.6Å; Y13-F55 HydrophobicContact CD2-CE1 3.6Å; Y13-F55 HydrophobicContact CD2-CE2 4.46Å; Y13-F55 AromaticContact CD2-CZ 3.71Å; Y13-F55 HydrophobicContact CD2-CZ 3.71Å; Y13-F55 HydrophobicContact CE2-CE1 4.43Å; Y13-F55 HydrophobicContact CE2-CZ 4.11Å; Y13-F55 HydrophobicContact CG-CE1 4.45Å; Y13-A83 WeakPolarHBondContact O-CA 3.3Å; Y13-S84 PolarHBondContact N-O 2.91Å; Y13-S84 PolarHBondContact O-N 3.23Å
14V94.8Very high85.8Confident0 Ų054.5 Ų54.50%032%0.316CS..EExtended strand (participates in β ladder)trans-121129.7176.7-168.50000109V12 L17 F30 V53 A54 I56 I81 K82V12-V14 HydrophobicContact CG1-CG2 3.86Å; V14-L17 HydrophobicContact CB-CD1 4.07Å; V14-L17 HydrophobicContact CB-CG 4.46Å; V14-L17 HydrophobicContact CG1-CD1 3.92Å; V14-L17 HydrophobicContact CG1-CD2 3.77Å; V14-L17 HydrophobicContact CG1-CG 3.8Å; V14-F30 HydrophobicContact CG1-CZ 4.18Å; V14-F30 HydrophobicContact CG2-CE1 3.87Å; V14-F30 HydrophobicContact CG2-CZ 3.77Å; V14-V53 WeakPolarHBondContact O-CA 3.46Å; V14-A54 PolarHBondContact N-O 3.39Å; V14-A54 PolarHBondContact O-N 2.95Å; V14-I56 HydrophobicContact CG2-CD1 4.15Å; V14-I81 HydrophobicContact CG1-CD1 4.17Å; V14-K82 WeakPolarHBondContact CA-O 3.47Å
15S94.1Very high87.7Confident21 Ų2153.5 Ų53.515%0.14729%0.293CS..EExtended strand (participates in β ladder)trans-126.6162.2-178.158.40000112L17 K82S15-L17 VanDerWaalsContact C-N 3.28Å; S15-L17 PolarHBondContact O-N 2.93Å; S15-K82 PolarHBondContact N-O 2.96Å; S15-K82 PolarHBondContact O-N 3.35Å; S15-K82 VanDerWaalsContact O-N 3.11Å; S15-K82 WeakPolarHBondContact OG-CB 3.48Å; S15-K82 PolarHBondContact OG-O 3.31Å
16N93.9Very high89.4Confident88 Ų8849.3 Ų49.347%0.47127%0.271SS..SBendtrans63.130.9-175.2-157.240.4000113.9G52 V80N16-G52 PolarHBondContact N-O 2.9Å; N16-G52 VanDerWaalsContact N-O 3.12Å; N16-V80 PolarHBondContact ND2-O 2.94Å
17L93.4Very high90.8Very high8 Ų852.3 Ų52.34%0.04227%0.273CS..  trans-71.3144.4175.4-70.8168.2000111.1V14 S15 L21 L26 G52 A54 I81V14-L17 HydrophobicContact CB-CD1 4.07Å; V14-L17 HydrophobicContact CB-CG 4.46Å; V14-L17 HydrophobicContact CG1-CD1 3.92Å; V14-L17 HydrophobicContact CG1-CD2 3.77Å; V14-L17 HydrophobicContact CG1-CG 3.8Å; S15-L17 VanDerWaalsContact C-N 3.28Å; S15-L17 PolarHBondContact O-N 2.93Å; L17-L21 HydrophobicContact CD2-CD1 4.14Å; L17-L26 HydrophobicContact CD1-CD1 4.28Å; L17-L26 HydrophobicContact CD1-CD2 4.02Å; L17-L26 HydrophobicContact CD2-CD2 4.13Å; L17-G52 PolarHBondContact N-O 3.39Å; L17-G52 WeakPolarHBondContact O-CA 3.3Å; L17-A54 HydrophobicContact CD1-CB 3.56Å; L17-I81 HydrophobicContact CD2-CD1 4.48Å; L17-I81 HydrophobicContact CD2-CG2 4.05Å
18P91.8Very high92.1Very high10 Ų1058.5 Ų58.57%0.06529%0.292CS..  trans-63.6140.2170.727.9-35.5000111.4S20 L21 F77P18-S20 PolarHBondContact O-N 3.43Å; P18-L21 HydrophobicContact CG-CD1 3.49Å; P18-L21 VanDerWaalsContact CG-CD1 3.49Å; P18-L21 HydrophobicContact CG-CG 3.77Å; P18-L21 PolarHBondContact O-N 3.08Å; P18-F77 HydrophobicContact CG-CB 4.16Å; P18-F77 HydrophobicContact CG-CD2 3.93Å; P18-F77 HydrophobicContact CG-CG 4.36Å
19F90.9Very high92.7Very high125 Ų12558 Ų5855%0.54829%0.285SS..THydrogen-bonded Turntrans-68.4-16.2-175.8-54.9-63.4000113.9L21 S50F19-L21 VanDerWaalsContact C-N 3.3Å; F19-S50 WeakPolarHBondContact CD1-O 3.4Å; F19-S50 WeakPolarHBondContact CE1-O 3.35Å
20S89.9Confident93Very high92 Ų9250.3 Ų50.364%0.64325%0.251SS*.THydrogen-bonded Turntrans-73.1-19.4176.150.10000113.4P18P18-S20 PolarHBondContact O-N 3.43Å
21L90.2Very high93.2Very high14 Ų1452.3 Ų52.37%0.07327%0.266CS..  trans-73.9130.8-177-76.1173.8000112.1L17 P18 F19 D25 L26 I29 F77L17-L21 HydrophobicContact CD2-CD1 4.14Å; P18-L21 HydrophobicContact CG-CD1 3.49Å; P18-L21 VanDerWaalsContact CG-CD1 3.49Å; P18-L21 HydrophobicContact CG-CG 3.77Å; P18-L21 PolarHBondContact O-N 3.08Å; F19-L21 VanDerWaalsContact C-N 3.3Å; L21-D25 HydrophobicContact CD2-CB 3.59Å; L21-L26 HydrophobicContact CB-CD2 4.48Å; L21-L26 HydrophobicContact CD1-CD2 4.02Å; L21-I29 HydrophobicContact CD2-CD1 4.23Å; L21-F77 HydrophobicContact CD1-CD2 4.34Å; L21-F77 HydrophobicContact CD1-CE2 4.22Å; L21-F77 HydrophobicContact CD2-CD2 4.44Å; L21-F77 HydrophobicContact CD2-CE2 3.74Å; L21-F77 HydrophobicContact CD2-CZ 4.22Å; L21-F77 HydrophobicContact CG-CE2 4.3Å
22T92.1Very high93.2Very high71 Ų7160.3 Ų60.344%0.43630%0.3SS..  trans-94.6168.7175.2720000111.5N24 D25 L26T22-N24 PolarHBondContact O-N 3.31Å; T22-N24 PolarHBondContact OG1-N 3.49Å; T22-D25 WeakPolarHBondContact CB-OD2 3.47Å; T22-D25 PolarHBondContact N-OD2 3.43Å; T22-D25 PolarHBondContact O-N 3.31Å; T22-D25 VanDerWaalsContact OG1-CG 3.23Å; T22-D25 PolarHBondContact OG1-N 3Å; T22-D25 PolarHBondContact OG1-OD2 3.32Å; T22-L26 WeakPolarHBondContact O-CG 2.96Å; T22-L26 PolarHBondContact O-N 3.4Å
23N92.4Very high93.1Very high73 Ų7363 Ų6339%0.3931%0.31SS..Hα-helixtrans-59.1-32.3175.1-70.1-50.6000112.2Y27 V39 I41N23-Y27 PolarHBondContact O-N 3.39Å; N23-V39 HydrophobicContact CB-CG1 4.48Å; N23-I41 HydrophobicContact CB-CD1 4.47Å; N23-I41 VanDerWaalsContact OD1-CD1 3.25Å; N23-I41 WeakPolarHBondContact OD1-CD1 3.48Å; N23-I41 WeakPolarHBondContact OD1-CG1 3.46Å; N23-I41 PolarHBondContact OD1-N 2.85Å
24N93.9Very high93.1Very high86 Ų8660.3 Ų60.346%0.4631%0.305SS..Hα-helixtrans-70.9-42.1-179.7-164.4-20.1000111T22 L26 Y27 R28T22-N24 PolarHBondContact O-N 3.31Å; T22-N24 PolarHBondContact OG1-N 3.49Å; N24-L26 VanDerWaalsContact C-N 3.35Å; N24-L26 PolarHBondContact O-N 2.84Å; N24-Y27 WeakPolarHBondContact O-CB 3.47Å; N24-Y27 PolarHBondContact O-N 3.07Å; N24-Y27 VanDerWaalsContact O-N 3.15Å; N24-R28 WeakPolarHBondContact O-CG 3.37Å; N24-R28 PolarHBondContact O-N 2.93Å; N24-R28 PolarHBondContact OD1-NE 2.95Å
25D93.4Very high93.1Very high56 Ų5667.6 Ų67.630%0.29934%0.337SS..Hα-helixtrans-63.4-44.1178.6-52.9-43.2000111.2L21 T22 Y27 R28 I29L21-D25 HydrophobicContact CD2-CB 3.59Å; T22-D25 WeakPolarHBondContact CB-OD2 3.47Å; T22-D25 PolarHBondContact N-OD2 3.43Å; T22-D25 PolarHBondContact O-N 3.31Å; T22-D25 VanDerWaalsContact OG1-CG 3.23Å; T22-D25 PolarHBondContact OG1-N 3Å; T22-D25 PolarHBondContact OG1-OD2 3.32Å; D25-Y27 VanDerWaalsContact C-N 3.33Å; D25-Y27 PolarHBondContact O-N 3.02Å; D25-R28 PolarHBondContact O-N 3.28Å; D25-I29 WeakPolarHBondContact O-CD1 3.44Å; D25-I29 VanDerWaalsContact O-CG1 3.24Å; D25-I29 WeakPolarHBondContact O-CG1 3.49Å; D25-I29 PolarHBondContact O-N 3.45Å
26L93.7Very high93.1Very high1 Ų167.1 Ų67.11%0.00533%0.333CS..Hα-helixtrans-61.2-42.8173.9-65.8177.8000111L17 L21 T22 N24 R28 I29 F30 V39 I41 A54L17-L26 HydrophobicContact CD1-CD1 4.28Å; L17-L26 HydrophobicContact CD1-CD2 4.02Å; L17-L26 HydrophobicContact CD2-CD2 4.13Å; L21-L26 HydrophobicContact CB-CD2 4.48Å; L21-L26 HydrophobicContact CD1-CD2 4.02Å; T22-L26 WeakPolarHBondContact O-CG 2.96Å; T22-L26 PolarHBondContact O-N 3.4Å; N24-L26 VanDerWaalsContact C-N 3.35Å; N24-L26 PolarHBondContact O-N 2.84Å; L26-R28 VanDerWaalsContact C-N 3.31Å; L26-R28 PolarHBondContact O-N 2.97Å; L26-I29 PolarHBondContact O-N 3.43Å; L26-F30 HydrophobicContact CB-CD2 4.31Å; L26-F30 HydrophobicContact CD2-CD2 4.25Å; L26-F30 HydrophobicContact CD2-CE2 3.72Å; L26-F30 VanDerWaalsContact O-CB 3.31Å; L26-F30 WeakPolarHBondContact O-CB 3.14Å; L26-F30 WeakPolarHBondContact O-CD2 3.42Å; L26-F30 PolarHBondContact O-N 2.93Å; L26-V39 HydrophobicContact CB-CG1 3.86Å; L26-V39 HydrophobicContact CD1-CG1 3.87Å; L26-I41 HydrophobicContact CD1-CD1 3.75Å; L26-I41 HydrophobicContact CD1-CG1 3.57Å; L26-A54 HydrophobicContact CD1-CB 3.72Å
27Y94.9Very high93.1Very high110 Ų11066.8 Ų66.843%0.43133%0.334SS..Hα-helixtrans-56.4-47.2175.6-174.2-89.7000111.5N23 N24 D25 S31 V36 V39N23-Y27 PolarHBondContact O-N 3.39Å; N24-Y27 WeakPolarHBondContact O-CB 3.47Å; N24-Y27 PolarHBondContact O-N 3.07Å; N24-Y27 VanDerWaalsContact O-N 3.15Å; D25-Y27 VanDerWaalsContact C-N 3.33Å; D25-Y27 PolarHBondContact O-N 3.02Å; Y27-S31 WeakPolarHBondContact O-CB 3.49Å; Y27-S31 PolarHBondContact O-N 3.32Å; Y27-V36 HydrophobicContact CD2-CB 3.84Å; Y27-V36 HydrophobicContact CD2-CG1 3.73Å; Y27-V36 HydrophobicContact CE2-CB 3.7Å; Y27-V36 HydrophobicContact CE2-CG1 3.96Å; Y27-V36 WeakPolarHBondContact CE2-O 3.23Å; Y27-V39 HydrophobicContact CD2-CG2 4.36Å
28R94.3Very high93Very high164 Ų16470.4 Ų70.462%0.61935%0.349SS*.Hα-helixtrans-65.3-43.8179.9-66.3173.8-175.1-151-4.4113.3N24 D25 L26N24-R28 WeakPolarHBondContact O-CG 3.37Å; N24-R28 PolarHBondContact O-N 2.93Å; N24-R28 PolarHBondContact OD1-NE 2.95Å; D25-R28 PolarHBondContact O-N 3.28Å; L26-R28 VanDerWaalsContact C-N 3.31Å; L26-R28 PolarHBondContact O-N 2.97Å
29I92.9Very high93Very high41 Ų4171 Ų7121%0.2135%0.353CS..Hα-helixtrans-65.1-44.9-179.4-68.2164.1000110.4L21 D25 L26L21-I29 HydrophobicContact CD2-CD1 4.23Å; D25-I29 WeakPolarHBondContact O-CD1 3.44Å; D25-I29 VanDerWaalsContact O-CG1 3.24Å; D25-I29 WeakPolarHBondContact O-CG1 3.49Å; D25-I29 PolarHBondContact O-N 3.45Å; L26-I29 PolarHBondContact O-N 3.43Å
30F93.2Very high93.1Very high0 Ų068.1 Ų68.10%035%0.345CS..Hα-helixtrans-86.1-18.8-172.5-72.6-92.8000113.3V14 L26 K32 Y33 V36 I56 F58 C67 I71V14-F30 HydrophobicContact CG1-CZ 4.18Å; V14-F30 HydrophobicContact CG2-CE1 3.87Å; V14-F30 HydrophobicContact CG2-CZ 3.77Å; L26-F30 HydrophobicContact CB-CD2 4.31Å; L26-F30 HydrophobicContact CD2-CD2 4.25Å; L26-F30 HydrophobicContact CD2-CE2 3.72Å; L26-F30 VanDerWaalsContact O-CB 3.31Å; L26-F30 WeakPolarHBondContact O-CB 3.14Å; L26-F30 WeakPolarHBondContact O-CD2 3.42Å; L26-F30 PolarHBondContact O-N 2.93Å; F30-K32 PolarHBondContact O-N 3.28Å; F30-K32 VanDerWaalsContact O-N 3.1Å; F30-Y33 PolarHBondContact O-N 3.43Å; F30-Y33 VanDerWaalsContact O-N 3.11Å; F30-V36 HydrophobicContact CB-CG2 4.22Å; F30-I56 HydrophobicContact CB-CD1 4.03Å; F30-I56 HydrophobicContact CB-CG2 4.48Å; F30-I56 HydrophobicContact CD1-CD1 3.49Å; F30-I56 VanDerWaalsContact CD1-CD1 3.49Å; F30-I56 HydrophobicContact CD2-CD1 3.37Å; F30-I56 HydrophobicContact CE1-CD1 3.65Å; F30-I56 HydrophobicContact CE2-CD1 3.57Å; F30-I56 HydrophobicContact CG-CD1 3.34Å; F30-I56 HydrophobicContact CZ-CD1 3.71Å; F30-F58 HydrophobicContact CB-CZ 4.16Å; F30-F58 HydrophobicContact CD1-CZ 4.36Å; F30-C67 WeakPolarHBondContact CD1-SG 3.4Å; F30-I71 HydrophobicContact CD1-CD1 3.53Å; F30-I71 HydrophobicContact CE1-CD1 3.12Å; F30-I71 HydrophobicContact CE1-CG1 4.47Å; F30-I71 HydrophobicContact CE1-CG2 4.42Å; F30-I71 HydrophobicContact CG-CD1 4.45Å; F30-I71 HydrophobicContact CZ-CD1 3.74Å
31S94.4Very high93.2Very high57 Ų5764.9 Ų64.940%0.39932%0.321SS..THydrogen-bonded Turntrans-59.9-18.5172.8-1740000113.5Y27 Y33 G34Y27-S31 WeakPolarHBondContact O-CB 3.49Å; Y27-S31 PolarHBondContact O-N 3.32Å; S31-Y33 VanDerWaalsContact C-N 3.26Å; S31-Y33 PolarHBondContact O-N 3.33Å; S31-G34 WeakPolarHBondContact CA-O 3.24Å
32K94.2Very high93.3Very high176 Ų17668.6 Ų68.677%0.76534%0.339SS*.THydrogen-bonded Turntrans-68.7-23.8176.6-62.1-177.5-179.3-174.80113.5F30F30-K32 PolarHBondContact O-N 3.28Å; F30-K32 VanDerWaalsContact O-N 3.1Å
33Y93.1Very high93.3Very high56 Ų5671 Ų7122%0.2234%0.343CS..THydrogen-bonded Turntrans-99.2-12.1-176.2-55.2-81.3000112.7F30 S31 C67 A70 I71F30-Y33 PolarHBondContact O-N 3.43Å; F30-Y33 VanDerWaalsContact O-N 3.11Å; S31-Y33 VanDerWaalsContact C-N 3.26Å; S31-Y33 PolarHBondContact O-N 3.33Å; Y33-C67 HydrophobicContact CG-CB 4.26Å; Y33-A70 HydrophobicContact CD1-CB 3.92Å; Y33-A70 HydrophobicContact CE1-CB 3.41Å; Y33-A70 VanDerWaalsContact CE1-CB 3.41Å; Y33-I71 HydrophobicContact CD2-CD1 3.98Å; Y33-I71 HydrophobicContact CE1-CG1 4.47Å; Y33-I71 HydrophobicContact CE2-CD1 3.46Å; Y33-I71 VanDerWaalsContact CE2-CD1 3.46Å; Y33-I71 HydrophobicContact CE2-CG1 3.91Å
34G93.5Very high93.2Very high18 Ų1869.6 Ų69.619%0.18634%0.336CS..SBendtrans162.8177.4178.500000113.1S31 V36S31-G34 WeakPolarHBondContact CA-O 3.24Å; G34-V36 PolarHBondContact O-N 3.1Å
35K94.7Very high93Very high153 Ų15374.7 Ų74.767%0.66535%0.354SS*.  trans-72.2114.1178.7-67.8177.3-177.8172.70110.4F58 L59K35-F58 WeakPolarHBondContact O-CA 3.24Å; K35-L59 HydrophobicContact CB-CB 4.22Å; K35-L59 HydrophobicContact CD-CD2 4.23Å; K35-L59 PolarHBondContact O-N 2.82Å
36V94.8Very high93Very high10 Ų1078.8 Ų78.86%0.06138%0.375CS..EExtended strand (participates in β ladder)trans-85.9125.4177.7179.20000109.4Y27 F30 G34 V39 I56 F58Y27-V36 HydrophobicContact CD2-CB 3.84Å; Y27-V36 HydrophobicContact CD2-CG1 3.73Å; Y27-V36 HydrophobicContact CE2-CB 3.7Å; Y27-V36 HydrophobicContact CE2-CG1 3.96Å; Y27-V36 WeakPolarHBondContact CE2-O 3.23Å; F30-V36 HydrophobicContact CB-CG2 4.22Å; G34-V36 PolarHBondContact O-N 3.1Å; V36-V39 HydrophobicContact CG1-CG2 3.68Å; V36-I56 HydrophobicContact CG1-CG2 3.82Å; V36-I56 HydrophobicContact CG2-CG2 4.19Å; V36-F58 HydrophobicContact CG2-CD1 4.07Å; V36-F58 HydrophobicContact CG2-CE1 3.63Å; V36-F58 HydrophobicContact CG2-CZ 4.22Å
37V93.1Very high92.9Very high81 Ų8182.5 Ų82.549%0.49140%0.399SS..EExtended strand (participates in β ladder)trans-88.7-42.9177.6178.40000110.6L57 L59V37-L57 HydrophobicContact CB-CB 4.46Å; V37-L57 HydrophobicContact CB-CD2 3.74Å; V37-L57 HydrophobicContact CB-CG 4.07Å; V37-L57 HydrophobicContact CG1-CD2 3.72Å; V37-L57 HydrophobicContact CG2-CD2 4.37Å; V37-L57 PolarHBondContact N-O 2.89Å; V37-L59 HydrophobicContact CG2-CB 3.98Å; V37-L59 HydrophobicContact CG2-CD1 4.03Å
38K90.9Very high92.5Very high85 Ų8587 Ų8737%0.3742%0.415SS..EExtended strand (participates in β ladder)trans-155.2140.1-177.5-166.6-178.1-176.6175.50111.8L5 L57L5-K38 HydrophobicContact CD1-CD 3.55Å; K38-L57 HydrophobicContact CB-CB 4.31Å; K38-L57 PolarHBondContact N-O 2.99Å; K38-L57 PolarHBondContact O-N 3.17Å
39V93.5Very high92.3Very high22 Ų2286.5 Ų86.513%0.13342%0.417CS..EExtended strand (participates in β ladder)trans-113.5133.6170.2-1780000108.9N23 L26 Y27 V36 I56N23-V39 HydrophobicContact CB-CG1 4.48Å; L26-V39 HydrophobicContact CB-CG1 3.86Å; L26-V39 HydrophobicContact CD1-CG1 3.87Å; Y27-V39 HydrophobicContact CD2-CG2 4.36Å; V36-V39 HydrophobicContact CG1-CG2 3.68Å; V39-I56 HydrophobicContact CG1-CG1 4.4Å; V39-I56 HydrophobicContact CG2-CG2 4.43Å
40T91.8Very high92.2Very high64 Ų6485.8 Ų85.839%0.39342%0.415SS..EExtended strand (participates in β ladder)trans-133.6107.7176.2-55.40000109.7A54 F55T40-A54 WeakPolarHBondContact O-CA 2.99Å; T40-F55 PolarHBondContact N-O 2.95Å; T40-F55 PolarHBondContact O-N 3.41Å
41I93.2Very high92.1Very high25 Ų2590.9 Ų90.913%0.12844%0.438CS..EExtended strand (participates in β ladder)trans-80129.8170.7-65.5166.1000109.4N23 L26 K43 A54N23-I41 HydrophobicContact CB-CD1 4.47Å; N23-I41 VanDerWaalsContact OD1-CD1 3.25Å; N23-I41 WeakPolarHBondContact OD1-CD1 3.48Å; N23-I41 WeakPolarHBondContact OD1-CG1 3.46Å; N23-I41 PolarHBondContact OD1-N 2.85Å; L26-I41 HydrophobicContact CD1-CD1 3.75Å; L26-I41 HydrophobicContact CD1-CG1 3.57Å; I41-K43 HydrophobicContact CG2-CG 4.4Å; I41-K43 PolarHBondContact O-N 3.05Å; I41-A54 HydrophobicContact CG1-CB 4.18Å
42M91.1Very high91.9Very high92 Ų9288.5 Ų88.545%0.45342%0.422SS..EExtended strand (participates in β ladder)trans-79.2117.5176.1-163.5151170.100109.4K51 V53 F55M42-K51 PolarHBondContact O-N 2.98Å; M42-V53 HydrophobicContact CB-CB 4.24Å; M42-V53 HydrophobicContact CB-CG1 4.33Å; M42-V53 PolarHBondContact N-O 3.11Å; M42-F55 HydrophobicContact SD-CE2 3.93Å
43K91.8Very high91.9Very high121 Ų12181.1 Ų81.153%0.52639%0.392SS..EExtended strand (participates in β ladder)trans-108.7149.9177.1-63.2-176.3178.1-172.30109.8I41 K49I41-K43 HydrophobicContact CG2-CG 4.4Å; I41-K43 PolarHBondContact O-N 3.05Å; K43-K49 WeakPolarHBondContact CA-O 3.46Å
44D91.6Very high92Very high44 Ų4478.5 Ų78.524%0.23538%0.381CS..  trans-71.1146.3172.1-156.322000111.3T47 R48 K49 K51D44-T47 WeakPolarHBondContact CB-OG1 3.42Å; D44-T47 PolarHBondContact OD2-OG1 3.39Å; D44-R48 WeakPolarHBondContact O-CA 3.29Å; D44-R48 PolarHBondContact O-N 2.92Å; D44-R48 VanDerWaalsContact O-N 3.16Å; D44-K49 PolarHBondContact N-O 3.49Å; D44-K51 VanDerWaalsContact CA-CE 3.42Å; D44-K51 VanDerWaalsContact CB-CE 3.46Å; D44-K51 HydrophobicContact CB-CG 4.37Å; D44-K51 VanDerWaalsContact CG-CE 3.44Å; D44-K51 WeakPolarHBondContact OD1-CE 3.33Å; D44-K51 IonicContact OD1-NZ 2.8Å; D44-K51 PolarHBondContact OD1-NZ 2.87Å
45K90.1Very high92Very high192 Ų19280.4 Ų80.484%0.83539%0.385SS*.THydrogen-bonded Turntrans-74-40.2-174.6-67.6-172.5176.4-162.90111.4
46D92.8Very high92Very high142 Ų14273.1 Ų73.176%0.75935%0.353SS*.THydrogen-bonded Turntrans-83.7-54.3-174.7-49.3-49.7000110.6R48D46-R48 PolarHBondContact O-N 3.34Å
47T91.1Very high91.9Very high80 Ų8073.8 Ų73.849%0.49136%0.356SS..THydrogen-bonded Turntrans-81.7-13.1-175.564.40000113.9D44 K49D44-T47 WeakPolarHBondContact CB-OG1 3.42Å; D44-T47 PolarHBondContact OD2-OG1 3.39Å; T47-K49 PolarHBondContact O-N 3.04Å
48R87.3Confident92Very high205 Ų20570 Ų7077%0.77433%0.333SS*.  trans53.68.4-172.2-69-168.3-87.8-179.8-7.7115.2D44 D46D44-R48 WeakPolarHBondContact O-CA 3.29Å; D44-R48 PolarHBondContact O-N 2.92Å; D44-R48 VanDerWaalsContact O-N 3.16Å; D46-R48 PolarHBondContact O-N 3.34Å
49K89.1Confident92.1Very high152 Ų15270.8 Ų70.866%0.66134%0.341SS*.  trans-77.2148.9176.6-67.8178.7-177.91790110K43 D44 T47K43-K49 WeakPolarHBondContact CA-O 3.46Å; D44-K49 PolarHBondContact N-O 3.49Å; T47-K49 PolarHBondContact O-N 3.04Å
50S90.9Very high92.1Very high26 Ų2673.5 Ų73.518%0.18235%0.354CS..EExtended strand (participates in β ladder)trans-65.1134.3174.3-59.30000109.7F19 G52F19-S50 WeakPolarHBondContact CD1-O 3.4Å; F19-S50 WeakPolarHBondContact CE1-O 3.35Å; S50-G52 PolarHBondContact O-N 3.4Å
51K90.8Very high92.2Very high108 Ų10876.4 Ų76.447%0.4736%0.362SS..EExtended strand (participates in β ladder)trans-79.24.6174.6-63.9-163.9178.8-164.90113.4M42 D44 V53M42-K51 PolarHBondContact O-N 2.98Å; D44-K51 VanDerWaalsContact CA-CE 3.42Å; D44-K51 VanDerWaalsContact CB-CE 3.46Å; D44-K51 HydrophobicContact CB-CG 4.37Å; D44-K51 VanDerWaalsContact CG-CE 3.44Å; D44-K51 WeakPolarHBondContact OD1-CE 3.33Å; D44-K51 IonicContact OD1-NZ 2.8Å; D44-K51 PolarHBondContact OD1-NZ 2.87Å; K51-V53 PolarHBondContact O-N 3.41Å
52G91.8Very high92.2Very high6 Ų680.9 Ų80.96%0.06239%0.386CS..EExtended strand (participates in β ladder)trans68.823.7-172.600000112.8N16 L17 S50N16-G52 PolarHBondContact N-O 2.9Å; N16-G52 VanDerWaalsContact N-O 3.12Å; L17-G52 PolarHBondContact N-O 3.39Å; L17-G52 WeakPolarHBondContact O-CA 3.3Å; S50-G52 PolarHBondContact O-N 3.4Å
53V93.8Very high92.4Very high22 Ų2277.5 Ų77.513%0.13337%0.371CS..EExtended strand (participates in β ladder)trans-126.7136-178.3175.30000109.1Y13 V14 M42 K51 F55Y13-V53 HydrophobicContact CD2-CG1 3.99Å; Y13-V53 HydrophobicContact CE2-CG1 3.25Å; V14-V53 WeakPolarHBondContact O-CA 3.46Å; M42-V53 HydrophobicContact CB-CB 4.24Å; M42-V53 HydrophobicContact CB-CG1 4.33Å; M42-V53 PolarHBondContact N-O 3.11Å; K51-V53 PolarHBondContact O-N 3.41Å; V53-F55 HydrophobicContact CG1-CE2 4.39Å
54A94Very high92.5Very high0 Ų071.7 Ų71.70%035%0.346CS..EExtended strand (participates in β ladder)trans-138148.217700000111.9V14 L17 L26 T40 I41V14-A54 PolarHBondContact N-O 3.39Å; V14-A54 PolarHBondContact O-N 2.95Å; L17-A54 HydrophobicContact CD1-CB 3.56Å; L26-A54 HydrophobicContact CD1-CB 3.72Å; T40-A54 WeakPolarHBondContact O-CA 2.99Å; I41-A54 HydrophobicContact CG1-CB 4.18Å
55F94.1Very high92.7Very high58 Ų5873.2 Ų73.225%0.25435%0.351SS..EExtended strand (participates in β ladder)trans-110.7128.2169.9-65.9-86.5000109.2T11 V12 Y13 T40 M42 V53 A86T11-F55 HydrophobicContact CG2-CB 4.27Å; T11-F55 HydrophobicContact CG2-CD1 4.3Å; V12-F55 WeakPolarHBondContact O-CA 3.16Å; Y13-F55 HydrophobicContact CD2-CD1 4.25Å; Y13-F55 AromaticContact CD2-CE1 3.6Å; Y13-F55 HydrophobicContact CD2-CE1 3.6Å; Y13-F55 HydrophobicContact CD2-CE2 4.46Å; Y13-F55 AromaticContact CD2-CZ 3.71Å; Y13-F55 HydrophobicContact CD2-CZ 3.71Å; Y13-F55 HydrophobicContact CE2-CE1 4.43Å; Y13-F55 HydrophobicContact CE2-CZ 4.11Å; Y13-F55 HydrophobicContact CG-CE1 4.45Å; T40-F55 PolarHBondContact N-O 2.95Å; T40-F55 PolarHBondContact O-N 3.41Å; M42-F55 HydrophobicContact SD-CE2 3.93Å; V53-F55 HydrophobicContact CG1-CE2 4.39Å; F55-A86 HydrophobicContact CD1-CB 4.08Å; F55-A86 HydrophobicContact CE1-CB 4.17Å
56I94.4Very high92.9Very high0 Ų068.4 Ų68.40%034%0.335CS..EExtended strand (participates in β ladder)trans-121.5115.2-178.7-56.2177.3000107.6T11 V12 V14 F30 V36 V39 F58T11-I56 CarbonylContact C-O 3.56Å; T11-I56 WeakPolarHBondContact CA-O 3.4Å; V12-I56 PolarHBondContact N-O 2.96Å; V12-I56 PolarHBondContact O-N 2.85Å; V14-I56 HydrophobicContact CG2-CD1 4.15Å; F30-I56 HydrophobicContact CB-CD1 4.03Å; F30-I56 HydrophobicContact CB-CG2 4.48Å; F30-I56 HydrophobicContact CD1-CD1 3.49Å; F30-I56 VanDerWaalsContact CD1-CD1 3.49Å; F30-I56 HydrophobicContact CD2-CD1 3.37Å; F30-I56 HydrophobicContact CE1-CD1 3.65Å; F30-I56 HydrophobicContact CE2-CD1 3.57Å; F30-I56 HydrophobicContact CG-CD1 3.34Å; F30-I56 HydrophobicContact CZ-CD1 3.71Å; V36-I56 HydrophobicContact CG1-CG2 3.82Å; V36-I56 HydrophobicContact CG2-CG2 4.19Å; V39-I56 HydrophobicContact CG1-CG1 4.4Å; V39-I56 HydrophobicContact CG2-CG2 4.43Å; I56-F58 HydrophobicContact CB-CE2 4.24Å; I56-F58 HydrophobicContact CG2-CD2 4.17Å; I56-F58 HydrophobicContact CG2-CE2 3.64Å; I56-F58 HydrophobicContact CG2-CZ 3.9Å
57L93.3Very high93Very high25 Ų2561.6 Ų61.613%0.13130%0.299CS..EExtended strand (participates in β ladder)trans-88121.4172.718071.9000109.1L5 T11 V37 K38L5-L57 HydrophobicContact CD2-CD2 3.17Å; L5-L57 HydrophobicContact CD2-CG 4.29Å; T11-L57 WeakPolarHBondContact OG1-CD1 3.5Å; V37-L57 HydrophobicContact CB-CB 4.46Å; V37-L57 HydrophobicContact CB-CD2 3.74Å; V37-L57 HydrophobicContact CB-CG 4.07Å; V37-L57 HydrophobicContact CG1-CD2 3.72Å; V37-L57 HydrophobicContact CG2-CD2 4.37Å; V37-L57 PolarHBondContact N-O 2.89Å; K38-L57 HydrophobicContact CB-CB 4.31Å; K38-L57 PolarHBondContact N-O 2.99Å; K38-L57 PolarHBondContact O-N 3.17Å
58F94.9Very high93.2Very high2 Ų258.6 Ų58.61%0.00928%0.28CS..EExtended strand (participates in β ladder)trans-92.9157.5166.6-69.4-87000111.2S10 V12 F30 K35 V36 I56 A64 C67S10-F58 WeakPolarHBondContact CB-O 3.43Å; S10-F58 PolarHBondContact O-N 3.25Å; V12-F58 HydrophobicContact CB-CE2 4.16Å; V12-F58 HydrophobicContact CG2-CD2 3.81Å; V12-F58 HydrophobicContact CG2-CE2 3.6Å; F30-F58 HydrophobicContact CB-CZ 4.16Å; F30-F58 HydrophobicContact CD1-CZ 4.36Å; K35-F58 WeakPolarHBondContact O-CA 3.24Å; V36-F58 HydrophobicContact CG2-CD1 4.07Å; V36-F58 HydrophobicContact CG2-CE1 3.63Å; V36-F58 HydrophobicContact CG2-CZ 4.22Å; I56-F58 HydrophobicContact CB-CE2 4.24Å; I56-F58 HydrophobicContact CG2-CD2 4.17Å; I56-F58 HydrophobicContact CG2-CE2 3.64Å; I56-F58 HydrophobicContact CG2-CZ 3.9Å; F58-A64 HydrophobicContact CB-CB 4.42Å; F58-A64 HydrophobicContact CD2-CB 3.96Å; F58-A64 HydrophobicContact CG-CB 4.46Å; F58-C67 HydrophobicContact CE2-CB 4.04Å; F58-C67 HydrophobicContact CZ-CB 3.92Å
59L92.8Very high93.6Very high101 Ų10157.7 Ų57.753%0.52928%0.277SS..SBendtrans-64.9-48.7171.6-170.370.1000110.1K35 V37K35-L59 HydrophobicContact CB-CB 4.22Å; K35-L59 HydrophobicContact CD-CD2 4.23Å; K35-L59 PolarHBondContact O-N 2.82Å; V37-L59 HydrophobicContact CG2-CB 3.98Å; V37-L59 HydrophobicContact CG2-CD1 4.03Å
60D93.4Very high93.7Very high78 Ų7851.6 Ų51.642%0.41725%0.254SS..SBendtrans-104.7148.7-175.3-54.8-50000112.5A64D60-A64 PolarHBondContact O-N 3.32Å
61K93.3Very high93.9Very high126 Ų12650.5 Ų50.555%0.54825%0.247SC..Hα-helixtrans-68.6-39.2177.3-57.9168.1-171.11710110.9S10 S63 A64 Q65S10-K61 VanDerWaalsContact OG-CG 3.28Å; S10-K61 WeakPolarHBondContact OG-CG 3.24Å; K61-S63 VanDerWaalsContact C-N 3.34Å; K61-S63 PolarHBondContact O-N 3.07Å; K61-A64 WeakPolarHBondContact O-CB 3.41Å; K61-A64 PolarHBondContact O-N 3.36Å; K61-Q65 PolarHBondContact O-N 3.31Å
62D94.8Very high94Very high119 Ų11948.8 Ų48.864%0.63624%0.242SC*.Hα-helixtrans-68.6-37.1-177.3-53.1-51.8000111.3A64 Q65 N66D62-A64 VanDerWaalsContact C-N 3.3Å; D62-A64 PolarHBondContact O-N 3.02Å; D62-Q65 PolarHBondContact O-N 3.15Å; D62-N66 WeakPolarHBondContact O-CB 3.39Å; D62-N66 PolarHBondContact O-N 3.16Å
63S94.8Very high94.1Very high20 Ų2053.4 Ų53.414%0.1427%0.266CS..Hα-helixtrans-57.9-43.2171.5-69.50000111.6K61 N66 C67K61-S63 VanDerWaalsContact C-N 3.34Å; K61-S63 PolarHBondContact O-N 3.07Å; S63-N66 PolarHBondContact O-N 3.48Å; S63-C67 WeakPolarHBondContact O-CB 3.46Å; S63-C67 PolarHBondContact O-N 3.13Å
64A94.6Very high94Very high0 Ų057 Ų570%028%0.28CS..Hα-helixtrans-65.4-41.4176.700000112.3V12 F58 D60 K61 D62 C67 T68V12-A64 HydrophobicContact CG2-CB 3.62Å; F58-A64 HydrophobicContact CB-CB 4.42Å; F58-A64 HydrophobicContact CD2-CB 3.96Å; F58-A64 HydrophobicContact CG-CB 4.46Å; D60-A64 PolarHBondContact O-N 3.32Å; K61-A64 WeakPolarHBondContact O-CB 3.41Å; K61-A64 PolarHBondContact O-N 3.36Å; D62-A64 VanDerWaalsContact C-N 3.3Å; D62-A64 PolarHBondContact O-N 3.02Å; A64-C67 PolarHBondContact O-N 2.99Å; A64-T68 WeakPolarHBondContact O-CG2 3.21Å; A64-T68 PolarHBondContact O-N 2.99Å; A64-T68 PolarHBondContact O-OG1 3.35Å
65Q94.8Very high93.9Very high75 Ų7564 Ų6435%0.3531%0.313SS..Hα-helixtrans-65.4-43.1175.5-68.5-166.20.900112.4K61 D62 T68 R69 I85K61-Q65 PolarHBondContact O-N 3.31Å; D62-Q65 PolarHBondContact O-N 3.15Å; Q65-T68 WeakPolarHBondContact CA-OG1 3.16Å; Q65-T68 PolarHBondContact O-N 3.24Å; Q65-T68 PolarHBondContact O-OG1 3.15Å; Q65-R69 WeakPolarHBondContact O-CG 3.49Å; Q65-R69 PolarHBondContact O-N 3.03Å; Q65-I85 HydrophobicContact CG-CD1 4.38Å
66N95.2Very high93.7Very high91 Ų9163.1 Ų63.149%0.48731%0.31SS..Hα-helixtrans-62.8-46.2176.7-170.715000110.8D62 S63 T68 R69 A70D62-N66 WeakPolarHBondContact O-CB 3.39Å; D62-N66 PolarHBondContact O-N 3.16Å; S63-N66 PolarHBondContact O-N 3.48Å; N66-T68 PolarHBondContact O-N 3.45Å; N66-R69 PolarHBondContact O-N 3.47Å; N66-A70 VanDerWaalsContact O-CB 3.24Å; N66-A70 WeakPolarHBondContact O-CB 3.39Å; N66-A70 PolarHBondContact O-N 3.43Å
67C94.6Very high93.3Very high0 Ų070 Ų700%034%0.34CS..Hα-helixtrans-54.6-49.2174.4175.30000112.1V12 F30 Y33 F58 S63 A64 A70 I71V12-C67 HydrophobicContact CG2-CB 4.43Å; F30-C67 WeakPolarHBondContact CD1-SG 3.4Å; Y33-C67 HydrophobicContact CG-CB 4.26Å; F58-C67 HydrophobicContact CE2-CB 4.04Å; F58-C67 HydrophobicContact CZ-CB 3.92Å; S63-C67 WeakPolarHBondContact O-CB 3.46Å; S63-C67 PolarHBondContact O-N 3.13Å; A64-C67 PolarHBondContact O-N 2.99Å; C67-A70 PolarHBondContact O-N 3.46Å; C67-I71 VanDerWaalsContact O-CB 3.23Å; C67-I71 WeakPolarHBondContact O-CB 3.49Å; C67-I71 PolarHBondContact O-N 3.29Å
68T94.9Very high93.1Very high16 Ų1672.4 Ų72.410%0.09837%0.371CS..Hα-helixtrans-62.3-48.318049.70000111.9V12 A64 Q65 N66 A70 I71 N72 A83 I85V12-T68 HydrophobicContact CB-CG2 4.41Å; V12-T68 HydrophobicContact CG1-CG2 3.69Å; V12-T68 HydrophobicContact CG2-CG2 3.97Å; A64-T68 WeakPolarHBondContact O-CG2 3.21Å; A64-T68 PolarHBondContact O-N 2.99Å; A64-T68 PolarHBondContact O-OG1 3.35Å; Q65-T68 WeakPolarHBondContact CA-OG1 3.16Å; Q65-T68 PolarHBondContact O-N 3.24Å; Q65-T68 PolarHBondContact O-OG1 3.15Å; N66-T68 PolarHBondContact O-N 3.45Å; T68-A70 VanDerWaalsContact C-N 3.31Å; T68-A70 PolarHBondContact O-N 3.43Å; T68-I71 PolarHBondContact O-N 3.45Å; T68-N72 WeakPolarHBondContact O-CB 3.41Å; T68-N72 PolarHBondContact O-N 3.04Å; T68-A83 HydrophobicContact CG2-CB 4.48Å; T68-I85 HydrophobicContact CG2-CG1 4.37Å
69R94.3Very high92.9Very high187 Ų18776.8 Ų76.871%0.70639%0.388SS*.Hα-helixtrans-60.1-42.5177.8-66.9175-164.6-174.37.5112Q65 N66Q65-R69 WeakPolarHBondContact O-CG 3.49Å; Q65-R69 PolarHBondContact O-N 3.03Å; N66-R69 PolarHBondContact O-N 3.47Å
70A93.3Very high92.9Very high23 Ų2374.9 Ų74.919%0.1938%0.38CS..Hα-helixtrans-73.5-35.4-177.400000112.5Y33 N66 C67 T68 K74Y33-A70 HydrophobicContact CD1-CB 3.92Å; Y33-A70 HydrophobicContact CE1-CB 3.41Å; Y33-A70 VanDerWaalsContact CE1-CB 3.41Å; N66-A70 VanDerWaalsContact O-CB 3.24Å; N66-A70 WeakPolarHBondContact O-CB 3.39Å; N66-A70 PolarHBondContact O-N 3.43Å; C67-A70 PolarHBondContact O-N 3.46Å; T68-A70 VanDerWaalsContact C-N 3.31Å; T68-A70 PolarHBondContact O-N 3.43Å; A70-K74 WeakPolarHBondContact O-CD 3.31Å; A70-K74 WeakPolarHBondContact O-CE 3.12Å; A70-K74 WeakPolarHBondContact O-CG 3.42Å; A70-K74 PolarHBondContact O-NZ 3.4Å
71I93Very high93Very high4 Ų471.1 Ų71.12%0.02136%0.36CS..Hα-helixtrans-97.4-24.2-170.6-72.3-176.2000113.1F30 Y33 C67 T68 N73 K74 I81 A83F30-I71 HydrophobicContact CD1-CD1 3.53Å; F30-I71 HydrophobicContact CE1-CD1 3.12Å; F30-I71 HydrophobicContact CE1-CG1 4.47Å; F30-I71 HydrophobicContact CE1-CG2 4.42Å; F30-I71 HydrophobicContact CG-CD1 4.45Å; F30-I71 HydrophobicContact CZ-CD1 3.74Å; Y33-I71 HydrophobicContact CD2-CD1 3.98Å; Y33-I71 HydrophobicContact CE1-CG1 4.47Å; Y33-I71 HydrophobicContact CE2-CD1 3.46Å; Y33-I71 VanDerWaalsContact CE2-CD1 3.46Å; Y33-I71 HydrophobicContact CE2-CG1 3.91Å; C67-I71 VanDerWaalsContact O-CB 3.23Å; C67-I71 WeakPolarHBondContact O-CB 3.49Å; C67-I71 PolarHBondContact O-N 3.29Å; T68-I71 PolarHBondContact O-N 3.45Å; I71-N73 PolarHBondContact O-N 2.66Å; I71-K74 WeakPolarHBondContact O-CB 3.45Å; I71-K74 PolarHBondContact O-N 3.5Å; I71-I81 HydrophobicContact CG2-CD1 3.13Å; I71-I81 HydrophobicContact CG2-CG1 3.91Å; I71-A83 HydrophobicContact CB-CB 4.23Å; I71-A83 HydrophobicContact CG2-CB 3.95Å
72N94.4Very high93.1Very high71 Ų7171 Ų7138%0.3836%0.359SS..THydrogen-bonded Turntrans-58.7125.2-176.8-165.923.8000111T68 K74 A83T68-N72 WeakPolarHBondContact O-CB 3.41Å; T68-N72 PolarHBondContact O-N 3.04Å; N72-K74 VanDerWaalsContact C-N 3.29Å; N72-K74 PolarHBondContact O-N 3.18Å; N72-A83 HydrophobicContact CB-CB 4.46Å; N72-A83 PolarHBondContact OD1-N 3.11Å
73N93.4Very high93.1Very high103 Ų10365.5 Ų65.555%0.55133%0.33SS*.THydrogen-bonded Turntrans66.317.3-175.8-52.6-46.9000116I71 V80 I81I71-N73 PolarHBondContact O-N 2.66Å; N73-V80 HydrophobicContact CB-CG1 4.32Å; N73-I81 WeakPolarHBondContact CA-O 3.28Å; N73-I81 PolarHBondContact N-O 3.19Å
74K92.3Very high93.1Very high98 Ų9867.1 Ų67.143%0.42634%0.342SS..  trans-78.3149.9169.4-74.7-166.3169.4153.90111.8A70 I71 N72 V80 I81A70-K74 WeakPolarHBondContact O-CD 3.31Å; A70-K74 WeakPolarHBondContact O-CE 3.12Å; A70-K74 WeakPolarHBondContact O-CG 3.42Å; A70-K74 PolarHBondContact O-NZ 3.4Å; I71-K74 WeakPolarHBondContact O-CB 3.45Å; I71-K74 PolarHBondContact O-N 3.5Å; N72-K74 VanDerWaalsContact C-N 3.29Å; N72-K74 PolarHBondContact O-N 3.18Å; K74-V80 WeakPolarHBondContact O-CA 3.39Å; K74-I81 VanDerWaalsContact O-CG1 3.29Å; K74-I81 WeakPolarHBondContact O-CG1 3.32Å; K74-I81 PolarHBondContact O-N 3.21Å
75Q92Very high93.1Very high148 Ų14870.4 Ų70.469%0.69236%0.359SS*.EExtended strand (participates in β ladder)trans-84.9125.2171-72-1790.300110.5R79 V80Q75-R79 CarbonylContact C-O 3.56Å; Q75-R79 WeakPolarHBondContact CA-O 3.33Å; Q75-V80 HydrophobicContact CG-CG2 3.79Å
76L88.2Confident92.9Very high39 Ų3967.3 Ų67.320%0.20435%0.346CS..EExtended strand (participates in β ladder)trans-123.4123.3167.7-73-174.4000108.8G78 R79 I81L76-G78 VanDerWaalsContact C-N 3.26Å; L76-G78 PolarHBondContact O-N 3.46Å; L76-R79 PolarHBondContact N-O 2.91Å; L76-R79 PolarHBondContact O-N 2.84Å; L76-I81 HydrophobicContact CB-CG2 4.16Å; L76-I81 HydrophobicContact CD1-CD1 3.32Å; L76-I81 HydrophobicContact CD1-CG1 4.15Å; L76-I81 HydrophobicContact CD1-CG2 4.47Å; L76-I81 HydrophobicContact CG-CD1 3.86Å; L76-I81 HydrophobicContact CG-CG1 4.18Å
77F86.4Confident92.6Very high143 Ų14369.6 Ų69.663%0.62736%0.357SS*.THydrogen-bonded Turntrans5143.9178.5-55.4-84.3000113.2P18 L21 R79P18-F77 HydrophobicContact CG-CB 4.16Å; P18-F77 HydrophobicContact CG-CD2 3.93Å; P18-F77 HydrophobicContact CG-CG 4.36Å; L21-F77 HydrophobicContact CD1-CD2 4.34Å; L21-F77 HydrophobicContact CD1-CE2 4.22Å; L21-F77 HydrophobicContact CD2-CD2 4.44Å; L21-F77 HydrophobicContact CD2-CE2 3.74Å; L21-F77 HydrophobicContact CD2-CZ 4.22Å; L21-F77 HydrophobicContact CG-CE2 4.3Å; F77-R79 VanDerWaalsContact C-N 3.26Å; F77-R79 PolarHBondContact O-N 3.19Å
78G88.8Confident92Very high76 Ų7672.6 Ų72.678%0.78437%0.373SS*.THydrogen-bonded Turntrans74.68.1179.700000115L76L76-G78 VanDerWaalsContact C-N 3.26Å; L76-G78 PolarHBondContact O-N 3.46Å
79R91Very high91.3Very high95 Ų9578.3 Ų78.336%0.35840%0.403SS..EExtended strand (participates in β ladder)trans-119.3134.8175.3-65-174.4178.5173.40.4110.9Q75 L76 F77 I81Q75-R79 CarbonylContact C-O 3.56Å; Q75-R79 WeakPolarHBondContact CA-O 3.33Å; L76-R79 PolarHBondContact N-O 2.91Å; L76-R79 PolarHBondContact O-N 2.84Å; F77-R79 VanDerWaalsContact C-N 3.26Å; F77-R79 PolarHBondContact O-N 3.19Å; R79-I81 PolarHBondContact O-N 2.82Å
80V94.1Very high90.1Very high60 Ų6071 Ų7136%0.36439%0.386SS..EExtended strand (participates in β ladder)trans-76.3116.8172.8-178.10000108.5N16 N73 K74 Q75N16-V80 PolarHBondContact ND2-O 2.94Å; N73-V80 HydrophobicContact CB-CG1 4.32Å; K74-V80 WeakPolarHBondContact O-CA 3.39Å; Q75-V80 HydrophobicContact CG-CG2 3.79Å
81I94.6Very high88.9Confident0 Ų078.5 Ų78.50%041%0.409CS..  trans-94.9146.518061156.7000110.7V14 L17 I71 N73 K74 L76 R79V14-I81 HydrophobicContact CG1-CD1 4.17Å; L17-I81 HydrophobicContact CD2-CD1 4.48Å; L17-I81 HydrophobicContact CD2-CG2 4.05Å; I71-I81 HydrophobicContact CG2-CD1 3.13Å; I71-I81 HydrophobicContact CG2-CG1 3.91Å; N73-I81 WeakPolarHBondContact CA-O 3.28Å; N73-I81 PolarHBondContact N-O 3.19Å; K74-I81 VanDerWaalsContact O-CG1 3.29Å; K74-I81 WeakPolarHBondContact O-CG1 3.32Å; K74-I81 PolarHBondContact O-N 3.21Å; L76-I81 HydrophobicContact CB-CG2 4.16Å; L76-I81 HydrophobicContact CD1-CD1 3.32Å; L76-I81 HydrophobicContact CD1-CG1 4.15Å; L76-I81 HydrophobicContact CD1-CG2 4.47Å; L76-I81 HydrophobicContact CG-CD1 3.86Å; L76-I81 HydrophobicContact CG-CG1 4.18Å; R79-I81 PolarHBondContact O-N 2.82Å
82K94.9Very high87.6Confident122 Ų12279.7 Ų79.753%0.5342%0.42SS..EExtended strand (participates in β ladder)trans-113.7130.1177.2-66.3-177.8178.4-179.20109.3V14 S15V14-K82 WeakPolarHBondContact CA-O 3.47Å; S15-K82 PolarHBondContact N-O 2.96Å; S15-K82 PolarHBondContact O-N 3.35Å; S15-K82 VanDerWaalsContact O-N 3.11Å; S15-K82 WeakPolarHBondContact OG-CB 3.48Å; S15-K82 PolarHBondContact OG-O 3.31Å
83A95.1Very high86.1Confident4 Ų478.3 Ų78.33%0.03342%0.418CS..EExtended strand (participates in β ladder)trans-123.8129.9-179.800000110.2V12 Y13 T68 I71 N72V12-A83 HydrophobicContact CG1-CB 4.39Å; Y13-A83 WeakPolarHBondContact O-CA 3.3Å; T68-A83 HydrophobicContact CG2-CB 4.48Å; I71-A83 HydrophobicContact CB-CB 4.23Å; I71-A83 HydrophobicContact CG2-CB 3.95Å; N72-A83 HydrophobicContact CB-CB 4.46Å; N72-A83 PolarHBondContact OD1-N 3.11Å
84S94.8Very high84.5Confident55 Ų5577.9 Ų77.939%0.38541%0.413SS..EExtended strand (participates in β ladder)trans-139.8163.5176.467.40000110.6Y13 A86Y13-S84 PolarHBondContact N-O 2.91Å; Y13-S84 PolarHBondContact O-N 3.23Å; S84-A86 PolarHBondContact O-N 3.39Å
85I94.1Very high82.8Confident69 Ų6980.1 Ų80.135%0.35442%0.423SS..EExtended strand (participates in β ladder)trans-65.5134.3169.5-60.3172.8000107.6Q65 T68 I87Q65-I85 HydrophobicContact CG-CD1 4.38Å; T68-I85 HydrophobicContact CG2-CG1 4.37Å; I85-I87 PolarHBondContact O-N 2.77Å
86A91.9Very high81.3Confident9 Ų977.8 Ų77.87%0.07441%0.414CS..PPolyproline II helixtrans-68.6129.6-179.700000110.1P7 T11 F55 S84P7-A86 HydrophobicContact CB-CB 3.9Å; T11-A86 HydrophobicContact CG2-CB 3.84Å; T11-A86 VanDerWaalsContact O-CB 3.32Å; T11-A86 WeakPolarHBondContact O-CB 3.17Å; T11-A86 PolarHBondContact O-N 3.48Å; F55-A86 HydrophobicContact CD1-CB 4.08Å; F55-A86 HydrophobicContact CE1-CB 4.17Å; S84-A86 PolarHBondContact O-N 3.39Å
87I87.9Confident80Confident140 Ų14085.6 Ų85.672%0.71844%0.441SS*.PPolyproline II helixtrans-94.6135.3174.6-57.4171.8000107.1I85 N89I85-I87 PolarHBondContact O-N 2.77Å; I87-N89 PolarHBondContact O-OD1 3.47Å
88D83.2Confident78.4Confident63 Ų6387.2 Ų87.234%0.33744%0.443SS..PPolyproline II helixtrans-76.5132.5172.1-166.76.1000109.9P7 G90P7-D88 HydrophobicContact CG-CB 3.75Å; D88-G90 PolarHBondContact O-N 3.14Å; D88-G90 VanDerWaalsContact O-N 3.13Å; D88-G90 PolarHBondContact OD1-N 2.8Å
89N78.6Confident76.6Confident135 Ų13591.1 Ų91.172%0.72243%0.434SS*.  trans-79.510.9-179.7-57.6-9.8000111.5I87 R91I87-N89 PolarHBondContact O-OD1 3.47Å; N89-R91 PolarHBondContact O-N 3.01Å
90G70.1Confident74.9Confident35 Ų3592.8 Ų92.836%0.36145%0.45SS..SBendtrans67.9-16.2-176.700000114.8D88 A92 A93 E94D88-G90 PolarHBondContact O-N 3.14Å; D88-G90 VanDerWaalsContact O-N 3.13Å; D88-G90 PolarHBondContact OD1-N 2.8Å; G90-A92 VanDerWaalsContact C-N 3.25Å; G90-A92 PolarHBondContact O-N 3.35Å; G90-A93 PolarHBondContact O-N 3.42Å; G90-E94 PolarHBondContact O-N 3.26Å; G90-E94 VanDerWaalsContact O-N 3.09Å
91R68.2Low73.1Confident180 Ų18098.8 Ų98.868%0.67947%0.467SS*.Hα-helixtrans-60.6-31.4179.5-103.5-170.3177.491.2-2113.1N89 E94 F95N89-R91 PolarHBondContact O-N 3.01Å; R91-E94 PolarHBondContact O-N 2.87Å; R91-F95 WeakPolarHBondContact O-CB 3.49Å; R91-F95 PolarHBondContact O-N 3.01Å
92A64.8Low71.1Confident28 Ų28106.4 Ų106.423%0.23150%0.501CS..Hα-helixtrans-65.6-46178.300000111.1A6 G90 F95 I96A6-A92 HydrophobicContact CB-CB 4.11Å; G90-A92 VanDerWaalsContact C-N 3.25Å; G90-A92 PolarHBondContact O-N 3.35Å; A92-F95 PolarHBondContact O-N 2.83Å; A92-I96 VanDerWaalsContact O-CG1 3.27Å; A92-I96 WeakPolarHBondContact O-CG1 3.37Å; A92-I96 PolarHBondContact O-N 2.83Å
93A62.7Low69.4Low43 Ų43105.2 Ų105.236%0.35550%0.5SS..Hα-helixtrans-64.1-40.3174.800000111.8G90 F95 I96 R97G90-A93 PolarHBondContact O-N 3.42Å; A93-F95 PolarHBondContact O-N 2.81Å; A93-I96 PolarHBondContact O-N 2.8Å; A93-R97 WeakPolarHBondContact O-CG 3.34Å; A93-R97 PolarHBondContact O-N 2.91Å
94E59.9Low67.6Low93 Ų93114.6 Ų114.644%0.43554%0.54SS..Hα-helixtrans-62.3-41.2173-75.6-158.6171.400112.6G90 R91 I96 R97 R98G90-E94 PolarHBondContact O-N 3.26Å; G90-E94 VanDerWaalsContact O-N 3.09Å; R91-E94 PolarHBondContact O-N 2.87Å; E94-I96 VanDerWaalsContact C-N 3.3Å; E94-I96 PolarHBondContact O-N 3.45Å; E94-R97 PolarHBondContact O-N 2.92Å; E94-R98 WeakPolarHBondContact O-CB 3.25Å; E94-R98 VanDerWaalsContact O-CG 3.23Å; E94-R98 WeakPolarHBondContact O-CG 3.19Å; E94-R98 PolarHBondContact O-N 3.21Å; E94-R98 IonicContact OE2-CZ 2.75Å; E94-R98 IonicContact OE2-NE 2.79Å; E94-R98 IonicContact OE2-NH2 3.83Å; E94-R98 PolarHBondContact OE2-NH2 2.85Å
95F56.7Low66.4Low146 Ų146113.5 Ų113.564%0.6453%0.533SS*.Hα-helixtrans-67.5-30.3176.2-115-89.7000112.7R91 A92 A93 R99R91-F95 WeakPolarHBondContact O-CB 3.49Å; R91-F95 PolarHBondContact O-N 3.01Å; A92-F95 PolarHBondContact O-N 2.83Å; A93-F95 PolarHBondContact O-N 2.81Å; F95-R99 PolarHBondContact O-N 2.93Å
96I61.4Low65.7Low99 Ų99117.1 Ų117.151%0.50855%0.546SS..Hα-helixtrans-71.1-43172.1-66.5162.3000110.2A92 A93 E94 R99A92-I96 VanDerWaalsContact O-CG1 3.27Å; A92-I96 WeakPolarHBondContact O-CG1 3.37Å; A92-I96 PolarHBondContact O-N 2.83Å; A93-I96 PolarHBondContact O-N 2.8Å; E94-I96 VanDerWaalsContact C-N 3.3Å; E94-I96 PolarHBondContact O-N 3.45Å; I96-R99 WeakPolarHBondContact O-CB 3.32Å; I96-R99 PolarHBondContact O-N 2.92Å; I96-R99 VanDerWaalsContact O-N 3.11Å
97R59.9Low65Low203 Ų203116.9 Ų116.977%0.76654%0.543SS*.Hα-helixtrans-67.8-37.9177.5-72.7177.7-179.2170.8-0.1112.9A93 E94 R99 N100A93-R97 WeakPolarHBondContact O-CG 3.34Å; A93-R97 PolarHBondContact O-N 2.91Å; E94-R97 PolarHBondContact O-N 2.92Å; R97-R99 PolarHBondContact O-N 3.2Å; R97-N100 PolarHBondContact O-N 2.86Å
98R54.8Low64.6Low177 Ų177119.7 Ų119.767%0.66855%0.546SS*.THydrogen-bonded Turntrans-71.6-2.2172.3-67.5179.2-159.8-158.96.8113E94 N100E94-R98 WeakPolarHBondContact O-CB 3.25Å; E94-R98 VanDerWaalsContact O-CG 3.23Å; E94-R98 WeakPolarHBondContact O-CG 3.19Å; E94-R98 PolarHBondContact O-N 3.21Å; E94-R98 IonicContact OE2-CZ 2.75Å; E94-R98 IonicContact OE2-NE 2.79Å; E94-R98 IonicContact OE2-NH2 3.83Å; E94-R98 PolarHBondContact OE2-NH2 2.85Å; R98-N100 VanDerWaalsContact C-N 3.26Å
99R49.3Very low64Low158 Ų158120.9 Ų120.960%0.59655%0.55SS*.THydrogen-bonded Turntrans-87.914.1172.1-132-168.7-58.3160.80.9113.3F95 I96 R97 Y101F95-R99 PolarHBondContact O-N 2.93Å; I96-R99 WeakPolarHBondContact O-CB 3.32Å; I96-R99 PolarHBondContact O-N 2.92Å; I96-R99 VanDerWaalsContact O-N 3.11Å; R97-R99 PolarHBondContact O-N 3.2Å; R99-Y101 HydrophobicContact CG-CD2 4.15Å; R99-Y101 HydrophobicContact CG-CE2 3.83Å; R99-Y101 PolarHBondContact O-N 3.31Å
100N56.2Low64.1Low129 Ų129115.7 Ų115.769%0.6952%0.524SS*.  trans-64.488.9143-93.133.4000106.1R97 R98 F102R97-N100 PolarHBondContact O-N 2.86Å; R98-N100 VanDerWaalsContact C-N 3.26Å; N100-F102 PolarHBondContact O-N 2.9Å
101Y55.9Low64.5Low187 Ų187116.2 Ų116.273%0.73353%0.53SS*.  trans-54.9100152.2-77.8-95.5000104R99 D103R99-Y101 HydrophobicContact CG-CD2 4.15Å; R99-Y101 HydrophobicContact CG-CE2 3.83Å; R99-Y101 PolarHBondContact O-N 3.31Å; Y101-D103 PolarHBondContact O-N 3.48Å
102F52.9Low65.1Low160 Ų160111.8 Ų111.870%0.70252%0.517SS*.  trans-57.6105.2157.9-105.7-88.7000103N100 K104N100-F102 PolarHBondContact O-N 2.9Å; F102-K104 VanDerWaalsContact C-N 3.34Å; F102-K104 PolarHBondContact O-N 3.12Å
103D58.5Low65.6Low96 Ų96115.4 Ų115.451%0.51354%0.54SS..  trans-52.3107.8178-75.7-39000105.6Y101 S105 L116Y101-D103 PolarHBondContact O-N 3.48Å; D103-S105 WeakPolarHBondContact CB-OG 3.34Å; D103-S105 PolarHBondContact O-N 3.08Å; D103-L116 HydrophobicContact CB-CD2 4.25Å
104K58.2Low66.3Low201 Ų201116 Ų11687%0.87455%0.55SS**  trans-68.47.4171.1-58.6-179-172.8-175.20110.4F102 K106F102-K104 VanDerWaalsContact C-N 3.34Å; F102-K104 PolarHBondContact O-N 3.12Å; K104-K106 VanDerWaalsContact C-N 3.34Å; K104-K106 PolarHBondContact O-N 2.82Å
105S69.5Low67.1Low33 Ų33113.6 Ų113.623%0.23154%0.539CS..  trans-66.7100.9166.961.50000107.1D103 C107 L116D103-S105 WeakPolarHBondContact CB-OG 3.34Å; D103-S105 PolarHBondContact O-N 3.08Å; S105-C107 PolarHBondContact O-N 3.41Å; S105-L116 WeakPolarHBondContact OG-CD2 3.37Å
106K78.4Confident67.9Low145 Ų145110.1 Ų110.163%0.6353%0.527SS*.  trans-43.6140.5157.8-60.2175.9-178.5-179.60108.1K104 Y108K104-K106 VanDerWaalsContact C-N 3.34Å; K104-K106 PolarHBondContact O-N 2.82Å; K106-Y108 PolarHBondContact O-N 3.12Å
107C78.6Confident68.6Low3 Ų3106.4 Ų106.42%0.0251%0.509CS..  trans-55.3129.6173.2178.10000109.7S105 E109 C110 G111 E112 H115 S117 C120S105-C107 PolarHBondContact O-N 3.41Å; C107-E109 PolarHBondContact O-N 2.84Å; C107-E109 PolarHBondContact SG-N 2.86Å; C107-E109 VanDerWaalsContact SG-N 3.4Å; C107-C110 PolarHBondContact SG-SG 3.44Å; C107-G111 VanDerWaalsContact O-CA 3.23Å; C107-G111 WeakPolarHBondContact O-CA 3.43Å; C107-G111 PolarHBondContact O-N 3.4Å; C107-E112 PolarHBondContact N-O 3.45Å; C107-H115 WeakPolarHBondContact CB-NE2 3.42Å; C107-S117 VanDerWaalsContact SG-CA 3.59Å; C107-C120 VanDerWaalsContact SG-CB 3.51Å
108Y77.9Confident69.2Low199 Ų199103.4 Ų103.478%0.7850%0.499SS*.THydrogen-bonded Turntrans-73-13-179.6-65.7-86.3000112.8K106 S117K106-Y108 PolarHBondContact O-N 3.12Å; Y108-S117 WeakPolarHBondContact CB-OG 3.32Å; Y108-S117 PolarHBondContact N-OG 3.21Å
109E71.8Confident69.9Low88 Ų8898.4 Ų98.441%0.41150%0.496SS..THydrogen-bonded Turntrans-94.9-49.5178.7-65.8178.8176.200111.9C107 N123C107-E109 PolarHBondContact O-N 2.84Å; C107-E109 PolarHBondContact SG-N 2.86Å; C107-E109 VanDerWaalsContact SG-N 3.4Å; E109-N123 VanDerWaalsContact OE2-CA 3.25Å; E109-N123 WeakPolarHBondContact OE2-CA 3.45Å; E109-N123 VanDerWaalsContact OE2-CB 3.25Å; E109-N123 WeakPolarHBondContact OE2-CB 3.35Å
110C81.4Confident71.3Confident26 Ų2691.2 Ų91.218%0.17647%0.47CS..THydrogen-bonded Turntrans-111.2-3.5-17347.80000114.7C107 E112 H115 C120 K122C107-C110 PolarHBondContact SG-SG 3.44Å; C110-E112 PolarHBondContact O-N 3.43Å; C110-H115 VanDerWaalsContact SG-CE1 3.54Å; C110-H115 PolarHBondContact SG-NE2 3.42Å; C110-C120 WeakPolarHBondContact CB-SG 3.08Å; C110-C120 WeakPolarHBondContact SG-CB 3.41Å; C110-C120 CovalentContact SG-SG 2.09Å; C110-C120 PolarHBondContact SG-SG 2.9Å; C110-K122 HydrophobicContact CB-CB 4.24Å; C110-K122 HydrophobicContact CB-CD 3.82Å
111G77.5Confident72.3Confident47 Ų4790.3 Ų90.349%0.48547%0.471SS..  trans70.9-8.4175.800000115.7C107C107-G111 VanDerWaalsContact O-CA 3.23Å; C107-G111 WeakPolarHBondContact O-CA 3.43Å; C107-G111 PolarHBondContact O-N 3.4Å
112E80.8Confident73.1Confident87 Ų8787.3 Ų87.341%0.40746%0.462SS..  trans-73.2143.9180-70.6169.5-153.100111.2C107 C110 K122C107-E112 PolarHBondContact N-O 3.45Å; C110-E112 PolarHBondContact O-N 3.43Å; E112-K122 IonicContact OE1-NZ 3.63Å; E112-K122 PolarHBondContact OE1-NZ 3.13Å
113S75.3Confident74.1Confident104 Ų10481 Ų8173%0.72744%0.435SS*.SBendtrans-92.7135.1175.757.50000110.9
114G77.6Confident74.8Confident55 Ų5585 Ų8557%0.56745%0.453SS*.SBendtrans131.1-10.7178.400000114.2
115H76.4Confident75.3Confident42 Ų4280.5 Ų80.519%0.19444%0.438CS..SBendtrans-150.6161.3176.463.8-89.7000111.9C107 C110 C120C107-H115 WeakPolarHBondContact CB-NE2 3.42Å; C110-H115 VanDerWaalsContact SG-CE1 3.54Å; C110-H115 PolarHBondContact SG-NE2 3.42Å; H115-C120 WeakPolarHBondContact CD2-CA 3.36Å; H115-C120 WeakPolarHBondContact NE2-CA 3.42Å; H115-C120 VanDerWaalsContact NE2-CB 3.31Å; H115-C120 WeakPolarHBondContact NE2-CB 3.15Å; H115-C120 PolarHBondContact NE2-SG 3.18Å
116L74.4Confident75.2Confident74 Ų7480.7 Ų80.739%0.38745%0.445SS..  trans-91.9159.1172.9-66.5171.9000110.2D103 S105 Y118 A119 C120D103-L116 HydrophobicContact CB-CD2 4.25Å; S105-L116 WeakPolarHBondContact OG-CD2 3.37Å; L116-Y118 PolarHBondContact O-N 3.1Å; L116-A119 CarbonylContact O-C 3.49Å; L116-A119 PolarHBondContact O-N 2.8Å; L116-C120 PolarHBondContact O-N 3.22Å
117S74.5Confident74.6Confident20 Ų2083.3 Ų83.314%0.1446%0.46CS..G310 helixtrans-49.1-36.8-179.4-50.90000114C107 Y108 A119 C120C107-S117 VanDerWaalsContact SG-CA 3.59Å; Y108-S117 WeakPolarHBondContact CB-OG 3.32Å; Y108-S117 PolarHBondContact N-OG 3.21Å; S117-A119 PolarHBondContact O-N 2.89Å; S117-A119 VanDerWaalsContact O-N 3.13Å; S117-C120 PolarHBondContact O-N 3.29Å; S117-C120 VanDerWaalsContact O-N 3.16Å
118Y72.8Confident74.2Confident140 Ų14089.9 Ų89.955%0.54948%0.484SS..G310 helixtrans-60.8-22.2176.6-67.1-80000115L116 R128L116-Y118 PolarHBondContact O-N 3.1Å; Y118-R128 HydrophobicContact CD1-CB 4.44Å
119A70.8Confident73.7Confident72 Ų7288.8 Ų88.860%0.59549%0.486SS*.G310 helixtrans-120.920.8179.500000112L116 S117L116-A119 CarbonylContact O-C 3.49Å; L116-A119 PolarHBondContact O-N 2.8Å; S117-A119 PolarHBondContact O-N 2.89Å; S117-A119 VanDerWaalsContact O-N 3.13Å
120C77.2Confident73.6Confident8 Ų889.2 Ų89.25%0.05450%0.497CS..  trans-71.7130.2175.91790000110.1C107 C110 H115 L116 S117 K122 N123C107-C120 VanDerWaalsContact SG-CB 3.51Å; C110-C120 WeakPolarHBondContact CB-SG 3.08Å; C110-C120 WeakPolarHBondContact SG-CB 3.41Å; C110-C120 CovalentContact SG-SG 2.09Å; C110-C120 PolarHBondContact SG-SG 2.9Å; H115-C120 WeakPolarHBondContact CD2-CA 3.36Å; H115-C120 WeakPolarHBondContact NE2-CA 3.42Å; H115-C120 VanDerWaalsContact NE2-CB 3.31Å; H115-C120 WeakPolarHBondContact NE2-CB 3.15Å; H115-C120 PolarHBondContact NE2-SG 3.18Å; L116-C120 PolarHBondContact O-N 3.22Å; S117-C120 PolarHBondContact O-N 3.29Å; S117-C120 VanDerWaalsContact O-N 3.16Å; C120-K122 PolarHBondContact O-N 3Å; C120-K122 PolarHBondContact SG-N 3.45Å; C120-N123 HydrophobicContact CB-CB 4.23Å; C120-N123 WeakPolarHBondContact O-CB 3.21Å; C120-N123 PolarHBondContact O-N 3.45Å
121P77.6Confident73.1Confident110 Ų11093 Ų9371%0.71452%0.521SS*.THydrogen-bonded Turntrans-67.4-15.1176.228.3-35.4000112.8
122K73.6Confident73.2Confident124 Ų124100.1 Ų100.154%0.53954%0.538SS..THydrogen-bonded Turntrans-98.612.4172.3-61.2171.2177.7158.20112.5C110 E112 C120 M124C110-K122 HydrophobicContact CB-CB 4.24Å; C110-K122 HydrophobicContact CB-CD 3.82Å; E112-K122 IonicContact OE1-NZ 3.63Å; E112-K122 PolarHBondContact OE1-NZ 3.13Å; C120-K122 PolarHBondContact O-N 3Å; C120-K122 PolarHBondContact SG-N 3.45Å; K122-M124 PolarHBondContact O-N 2.89Å
123N74.4Confident72.7Confident26 Ų26105.4 Ų105.414%0.13956%0.56CS.*  trans-66102.1-179.9177.70.8000110.1E109 C120 L125 G126E109-N123 VanDerWaalsContact OE2-CA 3.25Å; E109-N123 WeakPolarHBondContact OE2-CA 3.45Å; E109-N123 VanDerWaalsContact OE2-CB 3.25Å; E109-N123 WeakPolarHBondContact OE2-CB 3.35Å; C120-N123 HydrophobicContact CB-CB 4.23Å; C120-N123 WeakPolarHBondContact O-CB 3.21Å; C120-N123 PolarHBondContact O-N 3.45Å; N123-L125 PolarHBondContact O-N 3.16Å; N123-L125 WeakPolarHBondContact OD1-CA 3.33Å; N123-L125 WeakPolarHBondContact OD1-CB 3Å; N123-L125 PolarHBondContact OD1-N 2.9Å; N123-G126 PolarHBondContact ND2-O 3.17Å; N123-G126 PolarHBondContact O-N 3.46Å
124M73Confident72.5Confident180 Ų180110 Ų11089%0.88757%0.567SS**THydrogen-bonded Turntrans-70.3-12.1-179.1-65.5-67.7-68.400113.1K122K122-M124 PolarHBondContact O-N 2.89Å
125L68.7Low72.3Confident107 Ų107116.1 Ų116.156%0.5658%0.581SS**THydrogen-bonded Turntrans-95.65.4-178.5-63.5166.5000113N123N123-L125 PolarHBondContact O-N 3.16Å; N123-L125 WeakPolarHBondContact OD1-CA 3.33Å; N123-L125 WeakPolarHBondContact OD1-CB 3Å; N123-L125 PolarHBondContact OD1-N 2.9Å
126G67.4Low71.7Confident38 Ų38123.8 Ų123.839%0.39261%0.614SS.*  trans72.1-179.5178.600000114.2N123 R128N123-G126 PolarHBondContact ND2-O 3.17Å; N123-G126 PolarHBondContact O-N 3.46Å; G126-R128 PolarHBondContact O-N 2.8Å; G126-R128 VanDerWaalsContact O-N 3.13Å
127E65.7Low71Confident200 Ų200129.9 Ų129.994%0.93564%0.637SS**  trans-67.9108.3177.6-65.4-177.3-178.700110.2
128R70.4Confident70Confident141 Ų141138.3 Ų138.353%0.53267%0.671SS.*PPolyproline II helixtrans-97.7127.4172.7-68.2179.5176.8-157.7-5.2109.1Y118 G126Y118-R128 HydrophobicContact CD1-CB 4.44Å; G126-R128 PolarHBondContact O-N 2.8Å; G126-R128 VanDerWaalsContact O-N 3.13Å
129E65.9Low68.9Low175 Ų175141.5 Ų141.582%0.81869%0.688SS**PPolyproline II helixtrans-62.9126.9173.6-68.8-171.1174.100110
130P69.8Low67.8Low98 Ų98147.6 Ų147.664%0.63670%0.701SS**PPolyproline II helixtrans-61.5143.7177.224.5-32.3000109.8K132P130-K132 PolarHBondContact O-N 3.2Å
131P71.9Confident66.2Low105 Ų105156.7 Ų156.768%0.68274%0.739SS**PPolyproline II helixtrans-57.1132.1179.723.7-33.5000110.2K133P131-K133 PolarHBondContact O-N 2.92Å
132K78.3Confident64.8Low196 Ų196155.2 Ų155.285%0.85274%0.737SS**PPolyproline II helixtrans-54.5125178-68.5-177.8-179.4177.10109.2P130 K134P130-K132 PolarHBondContact O-N 3.2Å; K132-K134 PolarHBondContact O-N 3.15Å; K132-K134 VanDerWaalsContact O-N 3.08Å
133K70.6Confident63.4Low198 Ų198155.1 Ų155.186%0.86175%0.749SS**PPolyproline II helixtrans-56.2119.7174.7-75.5179.6-179.8171.40108P131 E135P131-K133 PolarHBondContact O-N 2.92Å; K133-E135 PolarHBondContact O-N 3.02Å
134K72Confident62.2Low201 Ų201162.1 Ų162.187%0.87478%0.781SS**  trans-55.9113.6171.9-70.4-174.9179.4-179.50107.7K132 K136K132-K134 PolarHBondContact O-N 3.15Å; K132-K134 VanDerWaalsContact O-N 3.08Å; K134-K136 PolarHBondContact O-N 3.27Å; K134-K136 VanDerWaalsContact O-N 3.15Å
135E72.3Confident60.9Low184 Ų184159.5 Ų159.586%0.8678%0.777SS**  trans-57.7123.4172.9-67.2-167.9142.400107.9K133 K137K133-E135 PolarHBondContact O-N 3.02Å; E135-K137 PolarHBondContact O-N 3.24Å
136K65Low59.7Low202 Ų202163.2 Ų163.288%0.87879%0.791SS**  trans-64.9105169.5-68.1-176.3-179.9-178.40105.8K134 K138K134-K136 PolarHBondContact O-N 3.27Å; K134-K136 VanDerWaalsContact O-N 3.15Å; K136-K138 VanDerWaalsContact C-N 3.32Å; K136-K138 PolarHBondContact O-N 3.26Å
137K59.3Low58.3Low203 Ų203170.5 Ų170.588%0.88382%0.815SS**  trans-53.2102166.4-72.6-173.7177.9-177.30106.6E135 K139E135-K137 PolarHBondContact O-N 3.24Å; K137-K139 PolarHBondContact O-N 2.83Å; K137-K139 VanDerWaalsContact O-N 3.1Å
138K52.8Low56.8Low196 Ų196169.5 Ų169.585%0.85281%0.811SS**  trans-57.9118.1163.5-73.5-178179.4176.20104K136 K140K136-K138 VanDerWaalsContact C-N 3.32Å; K136-K138 PolarHBondContact O-N 3.26Å; K138-K140 VanDerWaalsContact C-N 3.28Å; K138-K140 PolarHBondContact O-N 2.99Å
139K50.9Low55.2Low207 Ų207170.7 Ų170.790%0.983%0.826SS**  trans-55104.7164.8-74-173.1176-1730105K137 K141K137-K139 PolarHBondContact O-N 2.83Å; K137-K139 VanDerWaalsContact O-N 3.1Å; K139-K141 PolarHBondContact O-N 3.08Å; K139-K141 VanDerWaalsContact O-N 3.08Å
140K46.4Very low53.8Low201 Ų201170.9 Ų170.987%0.87483%0.827SS**PPolyproline II helixtrans-58.4117166.9-73.7-174.6177.5-177.70103.9K138 A142K138-K140 VanDerWaalsContact C-N 3.28Å; K138-K140 PolarHBondContact O-N 2.99Å; K140-A142 PolarHBondContact O-N 3.28Å; K140-A142 VanDerWaalsContact O-N 3.14Å
141K43.2Very low52.4Low198 Ų198175.4 Ų175.486%0.86184%0.839SS**PPolyproline II helixtrans-60.2116.5167.5-155-177.7-178.3-160.10103.9K139K139-K141 PolarHBondContact O-N 3.08Å; K139-K141 VanDerWaalsContact O-N 3.08Å
142A49.8Very low50.5Low80 Ų80176.3 Ų176.366%0.66184%0.843SS**PPolyproline II helixtrans-55.1135.9177.100000107.9K140 E144K140-A142 PolarHBondContact O-N 3.28Å; K140-A142 VanDerWaalsContact O-N 3.14Å; A142-E144 PolarHBondContact O-N 2.87Å
143P44.3Very low48.3Very low122 Ų122175.7 Ų175.779%0.79284%0.843SS**PPolyproline II helixtrans-60.9132.9165.727.1-30.5000107.8
144E48.6Very low46.7Very low173 Ų173175 Ų17581%0.80884%0.843SS**PPolyproline II helixtrans-64.2132.3168.5-65.3-170.9172.400107.4A142 E146A142-E144 PolarHBondContact O-N 2.87Å; E144-E146 PolarHBondContact O-N 3.11Å
145P44.8Very low44.8Very low124 Ų124171.1 Ų171.181%0.80584%0.841SS**PPolyproline II helixtrans-69.3122.6173.827.1-29.9000108.7
146E44Very low43.4Very low185 Ų185171.3 Ų171.386%0.86484%0.842SS**PPolyproline II helixtrans-66.1128.9166-66.3174.8174.900107.5E144 E148E144-E146 PolarHBondContact O-N 3.11Å; E146-E148 PolarHBondContact O-N 3.45Å; E146-E148 VanDerWaalsContact O-N 3.15Å
147E38Very low42.1Very low191 Ų191169.3 Ų169.389%0.89384%0.841SS**  trans-72.1100174.9-70.2179.1168.800109
148E35.2Very low41.3Very low180 Ų180168.4 Ų168.484%0.84184%0.84SS**  trans-91110.4155.5-83.2-179.7162.300108E146 E150E146-E148 PolarHBondContact O-N 3.45Å; E146-E148 VanDerWaalsContact O-N 3.15Å; E148-E150 PolarHBondContact O-N 3.25Å
149I36.7Very low40.9Very low166 Ų166162.7 Ų162.785%0.85184%0.836SS**  trans-75.4102.2167.329.9164.3000108.4
150E35.5Very low40.2Very low179 Ų179161.8 Ų161.884%0.83684%0.835SS**  trans-102.2115.3158.4-80.3-171.6157.300109E148E148-E150 PolarHBondContact O-N 3.25Å
151E40.1Very low40.1Very low192 Ų192160 Ų16090%0.89784%0.835SS**  trans-76.7112.6163.1-69178156.200108.7
152V32.6Very low40.2Very low125 Ų125155.5 Ų155.576%0.75883%0.826SS**  trans-152112.4153.5-171.20000111.7
153E31.5Very low40.4Very low183 Ų183156.1 Ų156.186%0.85583%0.832SS**  trans57.5133.6143.9-61.4-167.2160.400125.1
154E37.9Very low41Very low182 Ų182156.4 Ų156.485%0.8583%0.826SS**  trans-43.9135.7159.1-72.7168135.900113.4
155S32.6Very low41.4Very low120 Ų120155.8 Ų155.884%0.83983%0.828SS**  trans-144.6123.2141.249.20000109.2
156E41.1Very low43.1Very low189 Ų189152.6 Ų152.688%0.88381%0.809SS**  trans-74119.9172.4-57.1173.4144.300108.1
157D38.5Very low44.2Very low160 Ų160150.5 Ų150.586%0.85680%0.803SS**  trans-153.4143.6156.2-159.2-140.6000111
158E42.3Very low45.9Very low183 Ų183145 Ų14586%0.85579%0.786SS**  trans-80.6140.3-159.3-60.9-146.1153.200115.2
159G44.9Very low47.9Very low76 Ų76142 Ų14278%0.78477%0.771SS**  trans70.881.8139.200000118.7
160E36Very low49.7Very low188 Ų188136.1 Ų136.188%0.87975%0.748SS**  trans-138.7125.1152-69.9-169.6167.300110.8P162E160-P162 WeakPolarHBondContact O-CD 3.27Å
161D44.5Very low51.9Low163 Ų163131.3 Ų131.387%0.87273%0.727SS**  trans-69.7104.5-177.5-146.3-12.1000110.1A163D161-A163 PolarHBondContact O-N 3.41Å
162P45.9Very low53.9Low104 Ų104124.7 Ų124.768%0.67571%0.705SS**  trans-98.272.1-167.935.4-25.6000110.3E160 L164E160-P162 WeakPolarHBondContact O-CD 3.27Å; P162-L164 VanDerWaalsContact C-N 3.35Å; P162-L164 PolarHBondContact O-N 2.96Å
163A53.3Low56.2Low93 Ų93125.4 Ų125.477%0.76970%0.698SS**  trans-69.195.516300000109.7D161D161-A163 PolarHBondContact O-N 3.41Å
164L56Low58.6Low129 Ų129122.9 Ų122.968%0.67569%0.686SS**  trans85.974155-48.8174.5000118.9P162P162-L164 VanDerWaalsContact C-N 3.35Å; P162-L164 PolarHBondContact O-N 2.96Å
165D58.9Low60.7Low160 Ų160120.1 Ų120.186%0.85667%0.673SS**  trans-1196.3169.7-154.630000116
166S80.3Confident63.1Low56 Ų56116.9 Ų116.939%0.39265%0.654SS.*  trans-134.6130.6172.4-165.90000113.1S168 Q169 A170S166-S168 PolarHBondContact O-N 3.5Å; S166-S168 VanDerWaalsContact O-N 3.15Å; S166-S168 PolarHBondContact OG-OG 2.86Å; S166-S168 VanDerWaalsContact OG-OG 3.07Å; S166-Q169 PolarHBondContact O-N 2.79Å; S166-A170 PolarHBondContact O-N 3.25Å; S166-A170 VanDerWaalsContact O-N 3.13Å
167L66.8Low65.2Low142 Ų142113.7 Ų113.774%0.74364%0.637SS**Hα-helixtrans-56.2-31.2177.7-165102.5000111.4A170 I171L167-A170 PolarHBondContact O-N 3.17Å; L167-I171 HydrophobicContact CD2-CD1 3.85Å; L167-I171 HydrophobicContact CG-CD1 4.14Å; L167-I171 WeakPolarHBondContact O-CB 3.17Å; L167-I171 WeakPolarHBondContact O-CD1 3.23Å; L167-I171 WeakPolarHBondContact O-CG1 3.37Å; L167-I171 PolarHBondContact O-N 3.44Å
168S72.7Confident67.3Low76 Ų76109.6 Ų109.653%0.53162%0.615SS.*Hα-helixtrans-65.8-40.4176.762.80000112.2S166 I171 A172S166-S168 PolarHBondContact O-N 3.5Å; S166-S168 VanDerWaalsContact O-N 3.15Å; S166-S168 PolarHBondContact OG-OG 2.86Å; S166-S168 VanDerWaalsContact OG-OG 3.07Å; S168-I171 PolarHBondContact O-N 3.09Å; S168-A172 WeakPolarHBondContact O-CB 3.36Å; S168-A172 PolarHBondContact O-N 2.92Å
169Q78.1Confident69.1Low116 Ų116105.8 Ų105.854%0.54260%0.597SS.*Hα-helixtrans-70.6-38.6176.4-80.4175.7-2.200111.9S166 I171 A172 F173S166-Q169 PolarHBondContact O-N 2.79Å; Q169-I171 VanDerWaalsContact C-N 3.32Å; Q169-I171 PolarHBondContact O-N 3.01Å; Q169-A172 PolarHBondContact O-N 3.35Å; Q169-F173 WeakPolarHBondContact O-CB 3.43Å; Q169-F173 PolarHBondContact O-N 3.2Å
170A74.6Confident70.7Confident43 Ų43108.9 Ų108.936%0.35559%0.591SS.*Hα-helixtrans-62-40.5173.900000111.9S166 L167 Q174S166-A170 PolarHBondContact O-N 3.25Å; S166-A170 VanDerWaalsContact O-N 3.13Å; L167-A170 PolarHBondContact O-N 3.17Å; A170-Q174 WeakPolarHBondContact O-CB 3.33Å; A170-Q174 PolarHBondContact O-N 2.87Å; A170-Q174 VanDerWaalsContact O-N 3.07Å
171I81.4Confident72.5Confident78 Ų78106 Ų10640%0.458%0.578SS.*Hα-helixtrans-65.6-43.8175.3-68.1162.9000110.8L167 S168 Q169 Q174 Q175L167-I171 HydrophobicContact CD2-CD1 3.85Å; L167-I171 HydrophobicContact CG-CD1 4.14Å; L167-I171 WeakPolarHBondContact O-CB 3.17Å; L167-I171 WeakPolarHBondContact O-CD1 3.23Å; L167-I171 WeakPolarHBondContact O-CG1 3.37Å; L167-I171 PolarHBondContact O-N 3.44Å; S168-I171 PolarHBondContact O-N 3.09Å; Q169-I171 VanDerWaalsContact C-N 3.32Å; Q169-I171 PolarHBondContact O-N 3.01Å; I171-Q174 PolarHBondContact O-N 2.99Å; I171-Q175 HydrophobicContact CG2-CG 4.46Å; I171-Q175 WeakPolarHBondContact O-CB 3.41Å; I171-Q175 WeakPolarHBondContact O-CG 3.06Å; I171-Q175 PolarHBondContact O-N 3.27Å
172A81.9Confident73.6Confident53 Ų53104.3 Ų104.344%0.43856%0.564SS.*Hα-helixtrans-62.4-43.8178.800000112S168 Q169 Q175 A176S168-A172 WeakPolarHBondContact O-CB 3.36Å; S168-A172 PolarHBondContact O-N 2.92Å; Q169-A172 PolarHBondContact O-N 3.35Å; A172-Q175 PolarHBondContact O-N 2.81Å; A172-A176 WeakPolarHBondContact O-CB 3.38Å; A172-A176 PolarHBondContact O-N 3.13Å
173F80.9Confident74.7Confident140 Ų140105.7 Ų105.761%0.61456%0.56SS**Hα-helixtrans-63.7-42.9177.1-172.9-98.3000112Q169 Q175 A176 K177Q169-F173 WeakPolarHBondContact O-CB 3.43Å; Q169-F173 PolarHBondContact O-N 3.2Å; F173-Q175 VanDerWaalsContact C-N 3.34Å; F173-Q175 PolarHBondContact O-N 2.8Å; F173-A176 PolarHBondContact O-N 2.84Å; F173-K177 WeakPolarHBondContact O-CB 3.39Å; F173-K177 PolarHBondContact O-N 3.16Å
174Q82.5Confident75.3Confident130 Ų130110.5 Ų110.561%0.60756%0.563SS**Hα-helixtrans-65.5-37.8177.5-169.5175.8-27.900111.9A170 I171 I178A170-Q174 WeakPolarHBondContact O-CB 3.33Å; A170-Q174 PolarHBondContact O-N 2.87Å; A170-Q174 VanDerWaalsContact O-N 3.07Å; I171-Q174 PolarHBondContact O-N 2.99Å; Q174-I178 HydrophobicContact CG-CD1 4.21Å; Q174-I178 WeakPolarHBondContact O-CD1 3.38Å; Q174-I178 VanDerWaalsContact O-CG1 3.24Å; Q174-I178 WeakPolarHBondContact O-CG1 3.32Å; Q174-I178 PolarHBondContact O-N 3.19Å; Q174-I178 VanDerWaalsContact O-N 3.16Å
175Q80.6Confident74.9Confident123 Ų123114.9 Ų114.958%0.57557%0.571SS**Hα-helixtrans-68.5-41.4175.8-75.1179.80.400112.4I171 A172 F173 K177 I178 E179I171-Q175 HydrophobicContact CG2-CG 4.46Å; I171-Q175 WeakPolarHBondContact O-CB 3.41Å; I171-Q175 WeakPolarHBondContact O-CG 3.06Å; I171-Q175 PolarHBondContact O-N 3.27Å; A172-Q175 PolarHBondContact O-N 2.81Å; F173-Q175 VanDerWaalsContact C-N 3.34Å; F173-Q175 PolarHBondContact O-N 2.8Å; Q175-K177 VanDerWaalsContact C-N 3.33Å; Q175-K177 PolarHBondContact O-N 3.13Å; Q175-I178 PolarHBondContact O-N 3.26Å; Q175-E179 PolarHBondContact O-N 3.28Å
176A83.7Confident74.3Confident53 Ų53115.5 Ų115.544%0.43857%0.566SS.*Hα-helixtrans-60.9-42.6176.300000111.8A172 F173 I178 E179 E180A172-A176 WeakPolarHBondContact O-CB 3.38Å; A172-A176 PolarHBondContact O-N 3.13Å; F173-A176 PolarHBondContact O-N 2.84Å; A176-I178 PolarHBondContact O-N 2.96Å; A176-E179 WeakPolarHBondContact O-CB 3.46Å; A176-E179 PolarHBondContact O-N 3.49Å; A176-E180 PolarHBondContact O-N 3.02Å
177K84.5Confident72.5Confident121 Ų121118.6 Ų118.653%0.52659%0.585SS.*Hα-helixtrans-65-39.7177.9-163.3173.4-176175.10112.7F173 Q175 E179 E180 E181F173-K177 WeakPolarHBondContact O-CB 3.39Å; F173-K177 PolarHBondContact O-N 3.16Å; Q175-K177 VanDerWaalsContact C-N 3.33Å; Q175-K177 PolarHBondContact O-N 3.13Å; K177-E179 VanDerWaalsContact C-N 3.35Å; K177-E180 PolarHBondContact O-N 2.97Å; K177-E181 PolarHBondContact O-N 3.03Å; K177-E181 VanDerWaalsContact O-N 3.08Å
178I82.8Confident71.2Confident74 Ų74117.3 Ų117.338%0.37959%0.588SS.*Hα-helixtrans-65.8-39.1174.7-68.8165.4000110.6Q174 Q175 A176 E181 Q182Q174-I178 HydrophobicContact CG-CD1 4.21Å; Q174-I178 WeakPolarHBondContact O-CD1 3.38Å; Q174-I178 VanDerWaalsContact O-CG1 3.24Å; Q174-I178 WeakPolarHBondContact O-CG1 3.32Å; Q174-I178 PolarHBondContact O-N 3.19Å; Q174-I178 VanDerWaalsContact O-N 3.16Å; Q175-I178 PolarHBondContact O-N 3.26Å; A176-I178 PolarHBondContact O-N 2.96Å; I178-E181 PolarHBondContact O-N 3.29Å; I178-Q182 HydrophobicContact CG2-CG 4.48Å; I178-Q182 WeakPolarHBondContact O-CB 3.07Å; I178-Q182 VanDerWaalsContact O-CG 3.3Å; I178-Q182 WeakPolarHBondContact O-CG 3.25Å; I178-Q182 PolarHBondContact O-N 2.82Å
179E80.3Confident69.6Low104 Ų104119.7 Ų119.749%0.48660%0.604SS.*Hα-helixtrans-64.8-41.9176-99.9-156.6-172.700112.9Q175 A176 K177 Q182 K183Q175-E179 PolarHBondContact O-N 3.28Å; A176-E179 WeakPolarHBondContact O-CB 3.46Å; A176-E179 PolarHBondContact O-N 3.49Å; K177-E179 VanDerWaalsContact C-N 3.35Å; E179-Q182 PolarHBondContact O-N 3.42Å; E179-K183 WeakPolarHBondContact O-CB 3.14Å; E179-K183 WeakPolarHBondContact O-CG 3.31Å; E179-K183 PolarHBondContact O-N 2.91Å; E179-K183 IonicContact OE2-NZ 2.88Å; E179-K183 PolarHBondContact OE2-NZ 2.95Å
180E78.2Confident67.5Low140 Ų140117.9 Ų117.965%0.65462%0.616SS**Hα-helixtrans-63.2-41.7175.5-77.2-169.3153.200111.6A176 K177 K183 K184A176-E180 PolarHBondContact O-N 3.02Å; K177-E180 PolarHBondContact O-N 2.97Å; E180-K183 PolarHBondContact O-N 3.27Å; E180-K184 VanDerWaalsContact O-CB 3.3Å; E180-K184 WeakPolarHBondContact O-CB 3.35Å; E180-K184 PolarHBondContact O-N 2.98Å
181E74.3Confident65.5Low129 Ų129119.6 Ų119.660%0.60364%0.638SS**Hα-helixtrans-63.3-40.6173.9-78.9-172.715900112.1K177 I178 K184 W185K177-E181 PolarHBondContact O-N 3.03Å; K177-E181 VanDerWaalsContact O-N 3.08Å; I178-E181 PolarHBondContact O-N 3.29Å; E181-K184 PolarHBondContact O-N 3.32Å; E181-W185 WeakPolarHBondContact O-CB 3.25Å; E181-W185 PolarHBondContact O-N 3.45Å
182Q67.7Low63.8Low126 Ų126121.9 Ų121.959%0.58966%0.658SS**Hα-helixtrans-67.2-36.4175.6-75.1-177.912.800112.5I178 E179 W185I178-Q182 HydrophobicContact CG2-CG 4.48Å; I178-Q182 WeakPolarHBondContact O-CB 3.07Å; I178-Q182 VanDerWaalsContact O-CG 3.3Å; I178-Q182 WeakPolarHBondContact O-CG 3.25Å; I178-Q182 PolarHBondContact O-N 2.82Å; E179-Q182 PolarHBondContact O-N 3.42Å; Q182-W185 PolarHBondContact O-N 3.4Å
183K68.8Low61.6Low134 Ų134124.9 Ų124.958%0.58368%0.676SS**Hα-helixtrans-67-40173.4-79.4164.3177.3152.50111E179 E180 W185 K186E179-K183 WeakPolarHBondContact O-CB 3.14Å; E179-K183 WeakPolarHBondContact O-CG 3.31Å; E179-K183 PolarHBondContact O-N 2.91Å; E179-K183 IonicContact OE2-NZ 2.88Å; E179-K183 PolarHBondContact OE2-NZ 2.95Å; E180-K183 PolarHBondContact O-N 3.27Å; K183-W185 VanDerWaalsContact C-N 3.27Å; K183-W185 PolarHBondContact O-N 3.2Å; K183-K186 PolarHBondContact O-N 3.34Å
184K66.3Low59.4Low193 Ų193123.8 Ų123.884%0.83968%0.681SS**Hα-helixtrans-66.1-27.8175.8-170.3172.6-177.9177.40112.8E180 E181E180-K184 VanDerWaalsContact O-CB 3.3Å; E180-K184 WeakPolarHBondContact O-CB 3.35Å; E180-K184 PolarHBondContact O-N 2.98Å; E181-K184 PolarHBondContact O-N 3.32Å
185W46.8Very low57.6Low222 Ų222123 Ų12384%0.84169%0.69SS**THydrogen-bonded Turntrans-917.3-179.9-162.9-87.8000114.6E181 Q182 K183 P187E181-W185 WeakPolarHBondContact O-CB 3.25Å; E181-W185 PolarHBondContact O-N 3.45Å; Q182-W185 PolarHBondContact O-N 3.4Å; K183-W185 VanDerWaalsContact C-N 3.27Å; K183-W185 PolarHBondContact O-N 3.2Å; W185-P187 WeakPolarHBondContact O-CD 3.23Å
186K46.4Very low55.6Low173 Ų173124.3 Ų124.375%0.75270%0.701SS**  trans-83108.5175.3-73.4-167.9178.4-171.60111.9K183K183-K186 PolarHBondContact O-N 3.34Å
187P43.6Very low54Low120 Ų120129 Ų12978%0.77972%0.719SS**PPolyproline II helixtrans-73.6136.6166.229.8-34.1000110.7W185W185-P187 WeakPolarHBondContact O-CD 3.23Å
188S39Very low52.4Low116 Ų116127.4 Ų127.481%0.81172%0.723SS**PPolyproline II helixtrans-63.5142.8172.559.80000111.6
189S39.4Very low50.9Low126 Ų126135.9 Ų135.988%0.88175%0.75SS**PPolyproline II helixtrans-53.6132.7179.150.30000115.8
190G34.3Very low49.6Very low77 Ų77142.3 Ų142.379%0.79477%0.77SS**  trans173.2107.8159.700000110.5
191G33Very low48.4Very low79 Ų79141.8 Ų141.881%0.81478%0.778SS**  trans-80.8-154.9-174.100000114.8
192P45.1Very low47.5Very low126 Ų126147 Ų14782%0.81879%0.793SS**  cis-124167.9-30.138.5-23.9000113.7
193S35.7Very low47Very low117 Ų117148.9 Ų148.982%0.81881%0.805SS**  trans71.6135.6170.1-134.70000114
194T34.4Very low46.4Very low117 Ų117152 Ų15272%0.71882%0.818SS**  cis-153161.440.750.20000110.5
195S45.7Very low45.8Very low112 Ų112152.3 Ų152.378%0.78382%0.82SS**  trans-14.4124.4161.554.10000117.8
196D38.8Very low46.1Very low151 Ų151146.8 Ų146.881%0.80782%0.815SS**  -164.2117.1125.8-157.1-123.5000110.6S198D196-S198 PolarHBondContact O-N 3.47Å
197D48.8Very low46.2Very low153 Ų153145 Ų14582%0.81882%0.819SS**  trans-77109.1172.4-176.8-84.9000107.9
198S51.9Low46.8Very low87 Ų87149.1 Ų149.161%0.60882%0.82SS**  trans176.2112.5155.1-86.40000112.5D196D196-S198 PolarHBondContact O-N 3.47Å
199R51.6Low46.9Very low252 Ų252153.1 Ų153.195%0.95182%0.823SS**  trans170.979.8135.4-89.9163.2-136.4-154.35.4110.3
200R52.2Low47.1Very low238 Ų238152.4 Ų152.490%0.89882%0.819SS**  trans-105.3130150-80.5-175.6177.4-139.70.2108R202R200-R202 PolarHBondContact O-N 2.09Å
201P52.7Low47.8Very low129 Ų129155.8 Ų155.884%0.83882%0.818SS**  trans-68.2117178.925.6-30.8000110.3
202R56Low48.7Very low240 Ų240160.7 Ų160.791%0.90682%0.82SS**  trans-75.5121171.6-82.2169.885.9148.7-1.5109.1R200 K204R200-R202 PolarHBondContact O-N 2.09Å; R202-K204 PolarHBondContact O-N 2.96Å
203I56.9Low49Very low165 Ų165163.9 Ų163.985%0.84682%0.824SS**  trans-61.4115.4169.8-62.3164.1000107.9
204K56Low49.9Very low199 Ų199167.3 Ų167.387%0.86583%0.827SS**PPolyproline II helixtrans-74.4125.9173.2-66.7-178.2-179.5-179.80108.6R202R202-K204 PolarHBondContact O-N 2.96Å
205K53.7Low50.3Low200 Ų200170.2 Ų170.287%0.8784%0.837SS**PPolyproline II helixtrans-72.9129168.4-72176178.2177.30108
206S52.7Low50.5Low106 Ų106170.2 Ų170.274%0.74184%0.837SS**PPolyproline II helixtrans-62131.7177.549.60000111.6Y208S206-Y208 PolarHBondContact O-N 2.91Å
207T49.6Very low51.3Low135 Ų135174.6 Ų174.683%0.82886%0.861SS**  trans-74.736.8175.248.70000112.9F209T207-F209 VanDerWaalsContact C-N 3.28Å; T207-F209 PolarHBondContact O-N 2.99Å
208Y54.4Low51.4Low207 Ų207175.7 Ų175.781%0.81286%0.863SS**  trans-94.452.7-177.9-167.9-100.3000111.1S206S206-Y208 PolarHBondContact O-N 2.91Å
209F41.8Very low51.4Low199 Ų199180.4 Ų180.487%0.87388%0.876SS**  trans-167.566.7167.8-122.4-83.4000107.5T207T207-F209 VanDerWaalsContact C-N 3.28Å; T207-F209 PolarHBondContact O-N 2.99Å
210S43.5Very low51.4Low112 Ų112176.4 Ų176.478%0.78387%0.872SS**  trans-109.8108.3162.6-89.30000106.6
211D50Low51.3Low148 Ų148172.8 Ų172.879%0.79187%0.871SS**  trans-89.492176.9-162.12.6000106.5
212E50.5Low51.2Low182 Ų182175.5 Ų175.585%0.8587%0.873SS**  trans-146.496.1165.2-77.7-165.7109.400107.9
213E53.2Low50.9Low193 Ų193171.2 Ų171.290%0.90287%0.871SS**  trans-78.4112.2154.6-78.7-167148.600107.8
214E53.1Low50.5Low189 Ų189171.6 Ų171.688%0.88387%0.872SS**PPolyproline II helixtrans-68127.6166.5-80.6176.6137.600110S216E214-S216 PolarHBondContact O-N 2.75Å
215L42.2Very low50Low178 Ų178169.5 Ų169.593%0.93287%0.873SS**PPolyproline II helixtrans-62124.6158.5-86.5106.5000109.1
216S50.8Low49.7Very low112 Ų112167 Ų16778%0.78387%0.873SS**PPolyproline II helixtrans-90131.9161.6580000110.2E214E214-S216 PolarHBondContact O-N 2.75Å
217D55.2Low49.5Very low243 Ų243172.5 Ų172.5100%1.29989%0.885SS**  trans-33.40178.8-87.5-68.1000117.4

Retrieved 217 of 217 residues in 82.1 ms (Link to these results)