A0A087Y1W7_POEFO Loading...

Family with sequence similarity 91 member A1

AlphaFold DB , UniProt , Accession A0A087Y1W7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 832 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
1M54.9Low76.2Confident97 Ų9767.5 Ų67.548%0.47833%0.33SS..  0153.40-92.1179.2-170.300107.1T3 E6 L39M1-T3 PolarHBondContact O-N 3.21Å; M1-E6 HydrophobicContact CB-CG 4.11Å; M1-E6 WeakPolarHBondContact CB-OE1 3.41Å; M1-E6 HydrophobicContact SD-CG 4.48Å; M1-L39 HydrophobicContact CE-CB 3.42Å; M1-L39 VanDerWaalsContact CE-CB 3.42Å; M1-L39 HydrophobicContact CE-CD1 4.04Å; M1-L39 HydrophobicContact CE-CG 4.39Å
2N70.8Confident76.7Confident74 Ų7466.9 Ų66.940%0.39633%0.33SS..  trans-71125.2177.9-173.6-19.9000109.1D4 V5 E6N2-D4 PolarHBondContact O-N 3.24Å; N2-D4 PolarHBondContact OD1-N 3.31Å; N2-V5 HydrophobicContact CB-CB 4.45Å; N2-V5 HydrophobicContact CB-CG2 3.96Å; N2-V5 WeakPolarHBondContact O-CB 3.4Å; N2-V5 PolarHBondContact O-N 2.68Å; N2-E6 PolarHBondContact O-N 3Å
3T74Confident77.2Confident103 Ų10368.8 Ų68.863%0.63233%0.332SS*.Hα-helixtrans-55.7-34.4-177.734.90000112.5M1 V5 E6 F7M1-T3 PolarHBondContact O-N 3.21Å; T3-V5 VanDerWaalsContact C-N 3.34Å; T3-V5 PolarHBondContact O-N 2.98Å; T3-E6 PolarHBondContact O-N 2.91Å; T3-F7 PolarHBondContact O-N 2.83Å
4D76.5Confident77.5Confident84 Ų8467.7 Ų67.745%0.44933%0.333SS..Hα-helixtrans-65.3-37.8176.6-67.8-20000112.2N2 H8 V22N2-D4 PolarHBondContact O-N 3.24Å; N2-D4 PolarHBondContact OD1-N 3.31Å; D4-H8 PolarHBondContact O-CD2 3.27Å; D4-H8 PolarHBondContact O-N 3.06Å; D4-V22 HydrophobicContact CB-CG2 4.38Å
5V77.3Confident77.8Confident3 Ų365.7 Ų65.72%0.01832%0.32CS..Hα-helixtrans-68.6-43178.1178.20000109.9N2 T3 H8 I9 V22 L26 Y33 H36N2-V5 HydrophobicContact CB-CB 4.45Å; N2-V5 HydrophobicContact CB-CG2 3.96Å; N2-V5 WeakPolarHBondContact O-CB 3.4Å; N2-V5 PolarHBondContact O-N 2.68Å; T3-V5 VanDerWaalsContact C-N 3.34Å; T3-V5 PolarHBondContact O-N 2.98Å; V5-H8 PolarHBondContact O-N 3.26Å; V5-I9 HydrophobicContact CG1-CD1 3.88Å; V5-I9 HydrophobicContact CG1-CG1 4.5Å; V5-I9 VanDerWaalsContact O-CG1 3.26Å; V5-I9 WeakPolarHBondContact O-CG1 3.34Å; V5-I9 PolarHBondContact O-N 3.43Å; V5-V22 HydrophobicContact CG2-CG1 3.85Å; V5-L26 HydrophobicContact CG1-CD1 4.28Å; V5-L26 HydrophobicContact CG1-CD2 4.34Å; V5-L26 HydrophobicContact CG2-CD1 4.21Å; V5-L26 HydrophobicContact CG2-CD2 4.1Å; V5-L26 HydrophobicContact CG2-CG 4.19Å; V5-Y33 HydrophobicContact CG1-CD2 4.35Å; V5-Y33 HydrophobicContact CG1-CE2 4.25Å; V5-H36 HydrophobicContact CG1-CB 4.43Å
6E80.9Confident78.1Confident46 Ų4669.9 Ų69.922%0.21534%0.344CS..Hα-helixtrans-62.6-41.8177.5-66.2-170.9171.700112M1 N2 T3 H8 I9 R10 Y40M1-E6 HydrophobicContact CB-CG 4.11Å; M1-E6 WeakPolarHBondContact CB-OE1 3.41Å; M1-E6 HydrophobicContact SD-CG 4.48Å; N2-E6 PolarHBondContact O-N 3Å; T3-E6 PolarHBondContact O-N 2.91Å; E6-H8 VanDerWaalsContact C-N 3.34Å; E6-H8 PolarHBondContact O-N 3.19Å; E6-I9 PolarHBondContact O-N 3.49Å; E6-R10 WeakPolarHBondContact O-CB 3.34Å; E6-R10 PolarHBondContact O-N 3.21Å; E6-Y40 HydrophobicContact CB-CD2 4.06Å; E6-Y40 HydrophobicContact CB-CE2 3.64Å; E6-Y40 HydrophobicContact CG-CD2 3.7Å; E6-Y40 HydrophobicContact CG-CE2 3.73Å
7F81.1Confident78.4Confident113 Ų11374.8 Ų74.850%0.49636%0.364SS..Hα-helixtrans-56.4-47.5175.8178.6-96000111.8T3 I9 R10 Q11T3-F7 PolarHBondContact O-N 2.83Å; F7-I9 PolarHBondContact O-N 3.31Å; F7-R10 PolarHBondContact O-N 3.01Å; F7-Q11 HydrophobicContact CE1-CG 4.11Å; F7-Q11 HydrophobicContact CE2-CG 4.49Å; F7-Q11 HydrophobicContact CZ-CG 4.11Å; F7-Q11 WeakPolarHBondContact O-CG 3.48Å; F7-Q11 PolarHBondContact O-N 3.04Å
8H80.8Confident78.7Confident23 Ų2371.1 Ų71.111%0.10635%0.345CS..Hα-helixtrans-70.1-31.5179.3-67.4-52.2000113.6D4 V5 E6 N12 Y13 L18D4-H8 PolarHBondContact O-CD2 3.27Å; D4-H8 PolarHBondContact O-N 3.06Å; V5-H8 PolarHBondContact O-N 3.26Å; E6-H8 VanDerWaalsContact C-N 3.34Å; E6-H8 PolarHBondContact O-N 3.19Å; H8-N12 PolarHBondContact O-N 3.24Å; H8-Y13 HydrophobicContact CB-CD2 4.21Å; H8-Y13 AromaticContact ND1-CD2 3.39Å; H8-Y13 WeakPolarHBondContact ND1-CD2 3.38Å; H8-Y13 AromaticContact ND1-CE2 3.7Å; H8-Y13 PolarHBondContact O-N 2.97Å; H8-Y13 VanDerWaalsContact O-N 3.08Å; H8-L18 HydrophobicContact CB-CD2 3.55Å
9I81.1Confident79.1Confident4 Ų469.8 Ų69.82%0.02134%0.344CS..Hα-helixtrans-66.2-43.7172.2-64.4166.4000109.9V5 E6 F7 Q11 N12 Y33 H36 V37 Y40V5-I9 HydrophobicContact CG1-CD1 3.88Å; V5-I9 HydrophobicContact CG1-CG1 4.5Å; V5-I9 VanDerWaalsContact O-CG1 3.26Å; V5-I9 WeakPolarHBondContact O-CG1 3.34Å; V5-I9 PolarHBondContact O-N 3.43Å; E6-I9 PolarHBondContact O-N 3.49Å; F7-I9 PolarHBondContact O-N 3.31Å; I9-Q11 VanDerWaalsContact C-N 3.29Å; I9-Q11 PolarHBondContact O-N 2.83Å; I9-N12 PolarHBondContact O-N 3.34Å; I9-Y33 HydrophobicContact CD1-CE2 4.28Å; I9-Y33 HydrophobicContact CG1-CE2 3.77Å; I9-H36 HydrophobicContact CD1-CB 4.28Å; I9-V37 HydrophobicContact CD1-CG2 4.18Å; I9-V37 HydrophobicContact CG1-CG2 3.93Å; I9-V37 HydrophobicContact CG2-CG2 4.42Å; I9-Y40 HydrophobicContact CB-CD1 4.14Å; I9-Y40 HydrophobicContact CB-CE1 4.39Å; I9-Y40 HydrophobicContact CB-CG 4.46Å; I9-Y40 HydrophobicContact CD1-CG 4.34Å; I9-Y40 HydrophobicContact CG2-CD1 3.34Å; I9-Y40 HydrophobicContact CG2-CE1 3.83Å; I9-Y40 HydrophobicContact CG2-CG 3.95Å
10R79.7Confident79.2Confident103 Ų10370.2 Ų70.239%0.38936%0.358SS..Hα-helixtrans-60.9-36.2177.3-171.5175.2177.4-174.5-5.4112.7E6 F7 N12E6-R10 WeakPolarHBondContact O-CB 3.34Å; E6-R10 PolarHBondContact O-N 3.21Å; F7-R10 PolarHBondContact O-N 3.01Å; R10-N12 PolarHBondContact O-N 3.46Å
11Q81.3Confident79.3Confident92 Ų9271.6 Ų71.643%0.4337%0.367SS..THydrogen-bonded Turntrans-80.25.9175.8-63.9-60.5-30.300114F7 I9 Y13F7-Q11 HydrophobicContact CE1-CG 4.11Å; F7-Q11 HydrophobicContact CE2-CG 4.49Å; F7-Q11 HydrophobicContact CZ-CG 4.11Å; F7-Q11 WeakPolarHBondContact O-CG 3.48Å; F7-Q11 PolarHBondContact O-N 3.04Å; I9-Q11 VanDerWaalsContact C-N 3.29Å; I9-Q11 PolarHBondContact O-N 2.83Å; Q11-Y13 VanDerWaalsContact C-N 3.27Å; Q11-Y13 HydrophobicContact CB-CD1 4.19Å; Q11-Y13 HydrophobicContact CB-CD2 4.19Å; Q11-Y13 HydrophobicContact CB-CE1 3.98Å; Q11-Y13 HydrophobicContact CB-CE2 3.97Å; Q11-Y13 HydrophobicContact CB-CG 4.3Å; Q11-Y13 WeakPolarHBondContact O-CD1 3.24Å; Q11-Y13 PolarHBondContact O-N 2.79Å
12N81.8Confident80.5Confident61 Ų6167.1 Ų67.133%0.32635%0.345SS..THydrogen-bonded Turntrans55.337.4-178.7-75.5-61.3000113.9H8 I9 R10 P14 N51 L52H8-N12 PolarHBondContact O-N 3.24Å; I9-N12 PolarHBondContact O-N 3.34Å; R10-N12 PolarHBondContact O-N 3.46Å; N12-P14 WeakPolarHBondContact O-CD 3.46Å; N12-N51 WeakPolarHBondContact OD1-CA 3.4Å; N12-L52 HydrophobicContact CB-CG 4.28Å; N12-L52 PolarHBondContact OD1-N 2.81Å
13Y82.8Confident81Confident92 Ų9265.8 Ų65.836%0.36134%0.335SS..  trans-79.4120.3176.2-66.8-19.7000112.1H8 Q11 Y33 L52H8-Y13 HydrophobicContact CB-CD2 4.21Å; H8-Y13 AromaticContact ND1-CD2 3.39Å; H8-Y13 WeakPolarHBondContact ND1-CD2 3.38Å; H8-Y13 AromaticContact ND1-CE2 3.7Å; H8-Y13 PolarHBondContact O-N 2.97Å; H8-Y13 VanDerWaalsContact O-N 3.08Å; Q11-Y13 VanDerWaalsContact C-N 3.27Å; Q11-Y13 HydrophobicContact CB-CD1 4.19Å; Q11-Y13 HydrophobicContact CB-CD2 4.19Å; Q11-Y13 HydrophobicContact CB-CE1 3.98Å; Q11-Y13 HydrophobicContact CB-CE2 3.97Å; Q11-Y13 HydrophobicContact CB-CG 4.3Å; Q11-Y13 WeakPolarHBondContact O-CD1 3.24Å; Q11-Y13 PolarHBondContact O-N 2.79Å; Y13-Y33 PolarHBondContact O-OH 2.9Å; Y13-L52 WeakPolarHBondContact O-CD1 3.4Å
14P81.5Confident81.3Confident53 Ų5367.8 Ų67.834%0.34434%0.337SS..  trans-69158.2173.830.4-35000110.3N12 N16 K17N12-P14 WeakPolarHBondContact O-CD 3.46Å; P14-N16 PolarHBondContact O-N 2.86Å; P14-K17 HydrophobicContact CG-CB 4.35Å; P14-K17 HydrophobicContact CG-CD 4.14Å; P14-K17 HydrophobicContact CG-CG 4.05Å; P14-K17 PolarHBondContact O-N 3.41Å
15W82.9Confident81.5Confident37 Ų3766.9 Ų66.914%0.1434%0.338CS..G310 helixtrans-44-40.8-179.8176.5-105.7000114K17 L18 K23 L26 N28 Q30 Y33W15-K17 VanDerWaalsContact C-N 3.27Å; W15-K17 PolarHBondContact O-N 3.02Å; W15-L18 HydrophobicContact CD2-CD1 4.27Å; W15-L18 HydrophobicContact CE3-CD1 3.46Å; W15-L18 VanDerWaalsContact CE3-CD1 3.46Å; W15-L18 HydrophobicContact CZ3-CD1 3.94Å; W15-L18 WeakPolarHBondContact O-CB 3.4Å; W15-L18 PolarHBondContact O-N 3.18Å; W15-K23 HydrophobicContact CH2-CB 4.11Å; W15-K23 HydrophobicContact CH2-CG 3.95Å; W15-K23 HydrophobicContact CZ2-CB 4.41Å; W15-K23 HydrophobicContact CZ2-CD 4.37Å; W15-K23 HydrophobicContact CZ2-CG 4.09Å; W15-K23 HydrophobicContact CZ3-CG 4.24Å; W15-K23 WeakPolarHBondContact O-CE 3.45Å; W15-K23 PolarHBondContact O-NZ 3.17Å; W15-L26 HydrophobicContact CZ3-CB 4.42Å; W15-L26 HydrophobicContact CZ3-CD1 4.05Å; W15-N28 WeakPolarHBondContact CZ2-O 3.47Å; W15-Q30 HydrophobicContact CB-CG 4.17Å; W15-Q30 HydrophobicContact CD2-CB 4Å; W15-Q30 HydrophobicContact CD2-CG 4.18Å; W15-Q30 HydrophobicContact CG-CB 4.09Å; W15-Q30 HydrophobicContact CG-CG 3.85Å; W15-Q30 HydrophobicContact CZ2-CB 4.46Å; W15-Y33 HydrophobicContact CB-CD1 4.18Å; W15-Y33 AromaticContact CE3-CD1 3.82Å; W15-Y33 HydrophobicContact CE3-CD1 3.82Å; W15-Y33 HydrophobicContact CE3-CD2 4.48Å; W15-Y33 AromaticContact CE3-CG 3.65Å; W15-Y33 HydrophobicContact CE3-CG 3.65Å; W15-Y33 HydrophobicContact CZ3-CG 4.09Å
16N81.9Confident81.6Confident133 Ų13367.4 Ų67.471%0.71134%0.341SS*.G310 helixtrans-62.4-32.6-178.6-64.9-13.3000113.3P14 K23P14-N16 PolarHBondContact O-N 2.86Å; N16-K23 PolarHBondContact O-NZ 3.48Å
17K83.1Confident81.6Confident154 Ų15468.1 Ų68.167%0.6736%0.36SS*.G310 helixtrans-90.50.4-179-65.1-171.1-177.7-179.90113.5P14 W15P14-K17 HydrophobicContact CG-CB 4.35Å; P14-K17 HydrophobicContact CG-CD 4.14Å; P14-K17 HydrophobicContact CG-CG 4.05Å; P14-K17 PolarHBondContact O-N 3.41Å; W15-K17 VanDerWaalsContact C-N 3.27Å; W15-K17 PolarHBondContact O-N 3.02Å
18L83.8Confident81.6Confident7 Ų767.9 Ų67.94%0.03736%0.364CS..SBendtrans-71.3138.4178.6-67.5172.7000111.5H8 W15 K23 Y33H8-L18 HydrophobicContact CB-CD2 3.55Å; W15-L18 HydrophobicContact CD2-CD1 4.27Å; W15-L18 HydrophobicContact CE3-CD1 3.46Å; W15-L18 VanDerWaalsContact CE3-CD1 3.46Å; W15-L18 HydrophobicContact CZ3-CD1 3.94Å; W15-L18 WeakPolarHBondContact O-CB 3.4Å; W15-L18 PolarHBondContact O-N 3.18Å; L18-K23 HydrophobicContact CB-CD 4.49Å; L18-K23 HydrophobicContact CB-CG 3.96Å; L18-K23 WeakPolarHBondContact O-CE 3.31Å; L18-K23 PolarHBondContact O-NZ 2.87Å; L18-Y33 HydrophobicContact CD1-CD1 3.93Å; L18-Y33 HydrophobicContact CD1-CD2 3.74Å; L18-Y33 HydrophobicContact CD1-CE1 3.82Å; L18-Y33 HydrophobicContact CD1-CE2 3.63Å; L18-Y33 HydrophobicContact CD1-CG 3.88Å; L18-Y33 HydrophobicContact CD2-CE2 4.14Å; L18-Y33 HydrophobicContact CG-CE2 4.47Å
19P86.3Confident81.8Confident48 Ų4869 Ų6931%0.31238%0.375SS..  trans-56.2150.4170-29.539.3000113.6N21 V22 K23P19-N21 VanDerWaalsContact C-N 3.34Å; P19-N21 WeakPolarHBondContact CB-OD1 3.3Å; P19-N21 PolarHBondContact O-N 2.9Å; P19-V22 HydrophobicContact CB-CG2 4.32Å; P19-V22 PolarHBondContact O-N 3.41Å; P19-K23 PolarHBondContact O-N 3.29Å
20A80.6Confident82Confident77 Ų7773.3 Ų73.364%0.63640%0.395SS*.Hα-helixtrans-64.6-34.6-175.400000113.4K23 Q24A20-K23 PolarHBondContact O-N 3.13Å; A20-Q24 WeakPolarHBondContact O-CB 3.14Å; A20-Q24 PolarHBondContact O-N 3.11Å
21N82Confident82.2Confident100 Ų10078.3 Ų78.354%0.53541%0.413SS..Hα-helixtrans-61-40.8173.257.6-32.8000112.3P19 Q24 S25P19-N21 VanDerWaalsContact C-N 3.34Å; P19-N21 WeakPolarHBondContact CB-OD1 3.3Å; P19-N21 PolarHBondContact O-N 2.9Å; N21-Q24 PolarHBondContact O-N 3.46Å; N21-S25 PolarHBondContact O-N 3.19Å
22V79.6Confident82.4Confident2 Ų277.2 Ų77.21%0.01241%0.408CS..Hα-helixtrans-75.3-36.4178.8-178.50000111.4D4 V5 P19 Q24 S25 L26D4-V22 HydrophobicContact CB-CG2 4.38Å; V5-V22 HydrophobicContact CG2-CG1 3.85Å; P19-V22 HydrophobicContact CB-CG2 4.32Å; P19-V22 PolarHBondContact O-N 3.41Å; V22-Q24 VanDerWaalsContact C-N 3.3Å; V22-Q24 PolarHBondContact O-N 3.47Å; V22-S25 PolarHBondContact O-N 3.21Å; V22-S25 PolarHBondContact O-OG 3.41Å; V22-L26 HydrophobicContact CG1-CD1 4.24Å; V22-L26 WeakPolarHBondContact O-CG 3.41Å; V22-L26 PolarHBondContact O-N 3.08Å
23K81.9Confident82.5Confident47 Ų4774.6 Ų74.620%0.20439%0.394CS..Hα-helixtrans-61.9-41.7171.4-69.4178.5178.4164.50111.1W15 N16 L18 P19 A20 L26 G27 N28W15-K23 HydrophobicContact CH2-CB 4.11Å; W15-K23 HydrophobicContact CH2-CG 3.95Å; W15-K23 HydrophobicContact CZ2-CB 4.41Å; W15-K23 HydrophobicContact CZ2-CD 4.37Å; W15-K23 HydrophobicContact CZ2-CG 4.09Å; W15-K23 HydrophobicContact CZ3-CG 4.24Å; W15-K23 WeakPolarHBondContact O-CE 3.45Å; W15-K23 PolarHBondContact O-NZ 3.17Å; N16-K23 PolarHBondContact O-NZ 3.48Å; L18-K23 HydrophobicContact CB-CD 4.49Å; L18-K23 HydrophobicContact CB-CG 3.96Å; L18-K23 WeakPolarHBondContact O-CE 3.31Å; L18-K23 PolarHBondContact O-NZ 2.87Å; P19-K23 PolarHBondContact O-N 3.29Å; A20-K23 PolarHBondContact O-N 3.13Å; K23-L26 CarbonylContact O-C 3.58Å; K23-L26 PolarHBondContact O-N 3.37Å; K23-G27 PolarHBondContact O-N 3.42Å; K23-N28 VanDerWaalsContact C-OD1 3.24Å; K23-N28 WeakPolarHBondContact CB-OD1 3.45Å; K23-N28 VanDerWaalsContact O-CA 3.3Å; K23-N28 WeakPolarHBondContact O-CA 3.35Å; K23-N28 PolarHBondContact O-N 3.08Å; K23-N28 PolarHBondContact O-OD1 2.66Å
24Q81Confident82.6Confident144 Ų14473.1 Ų73.167%0.67339%0.39SS*.Hα-helixtrans-64.4-40178-171.5176.2-000112.3A20 N21 V22 L26 G27 N28A20-Q24 WeakPolarHBondContact O-CB 3.14Å; A20-Q24 PolarHBondContact O-N 3.11Å; N21-Q24 PolarHBondContact O-N 3.46Å; V22-Q24 VanDerWaalsContact C-N 3.3Å; V22-Q24 PolarHBondContact O-N 3.47Å; Q24-L26 PolarHBondContact O-N 3.39Å; Q24-G27 PolarHBondContact O-N 3.12Å; Q24-N28 PolarHBondContact N-OD1 2.95Å
25S80.8Confident82.9Confident66 Ų6676 Ų7646%0.46240%0.397SS..Hα-helixtrans-66.1-25.5176.871.40000113.4N21 V22 G27N21-S25 PolarHBondContact O-N 3.19Å; V22-S25 PolarHBondContact O-N 3.21Å; V22-S25 PolarHBondContact O-OG 3.41Å; S25-G27 VanDerWaalsContact C-N 3.31Å
26L79.6Confident82.9Confident14 Ų1476.1 Ų76.17%0.07340%0.399CS..THydrogen-bonded Turntrans-91.713.4174.3-63.8168.9000113.1V5 W15 V22 K23 Q24 N28 S29 Y33 H36V5-L26 HydrophobicContact CG1-CD1 4.28Å; V5-L26 HydrophobicContact CG1-CD2 4.34Å; V5-L26 HydrophobicContact CG2-CD1 4.21Å; V5-L26 HydrophobicContact CG2-CD2 4.1Å; V5-L26 HydrophobicContact CG2-CG 4.19Å; W15-L26 HydrophobicContact CZ3-CB 4.42Å; W15-L26 HydrophobicContact CZ3-CD1 4.05Å; V22-L26 HydrophobicContact CG1-CD1 4.24Å; V22-L26 WeakPolarHBondContact O-CG 3.41Å; V22-L26 PolarHBondContact O-N 3.08Å; K23-L26 CarbonylContact O-C 3.58Å; K23-L26 PolarHBondContact O-N 3.37Å; Q24-L26 PolarHBondContact O-N 3.39Å; L26-N28 VanDerWaalsContact C-N 3.26Å; L26-N28 PolarHBondContact O-N 3.13Å; L26-S29 PolarHBondContact O-N 3.04Å; L26-Y33 HydrophobicContact CD1-CD2 3.55Å; L26-Y33 HydrophobicContact CD1-CE2 4.46Å; L26-Y33 HydrophobicContact CD1-CG 4.2Å; L26-H36 VanDerWaalsContact CD2-CD2 3.48Å; L26-H36 WeakPolarHBondContact CD2-CD2 3.18Å
27G80.2Confident83.1Confident60 Ų6069.9 Ų69.962%0.61937%0.366SS*.THydrogen-bonded Turntrans6625.3-179.700000114K23 Q24 S25 S29K23-G27 PolarHBondContact O-N 3.42Å; Q24-G27 PolarHBondContact O-N 3.12Å; S25-G27 VanDerWaalsContact C-N 3.31Å; G27-S29 PolarHBondContact O-N 3.33Å
28N82Confident83.3Confident108 Ų10863.1 Ų63.158%0.57834%0.337SS*.THydrogen-bonded Turntrans53.921.7-174.6-66-46.8000114.3W15 K23 Q24 L26W15-N28 WeakPolarHBondContact CZ2-O 3.47Å; K23-N28 VanDerWaalsContact C-OD1 3.24Å; K23-N28 WeakPolarHBondContact CB-OD1 3.45Å; K23-N28 VanDerWaalsContact O-CA 3.3Å; K23-N28 WeakPolarHBondContact O-CA 3.35Å; K23-N28 PolarHBondContact O-N 3.08Å; K23-N28 PolarHBondContact O-OD1 2.66Å; Q24-N28 PolarHBondContact N-OD1 2.95Å; L26-N28 VanDerWaalsContact C-N 3.26Å; L26-N28 PolarHBondContact O-N 3.13Å
29S84.5Confident83.4Confident48 Ų4866.2 Ų66.234%0.33635%0.354SS..  trans-98.6114.9-178.7-179.80000111.1L26 G27 R31 E32 Y33L26-S29 PolarHBondContact O-N 3.04Å; G27-S29 PolarHBondContact O-N 3.33Å; S29-R31 PolarHBondContact O-N 3.03Å; S29-R31 PolarHBondContact OG-N 3.44Å; S29-E32 PolarHBondContact O-N 3.2Å; S29-E32 PolarHBondContact OG-N 3.4Å; S29-Y33 PolarHBondContact O-N 3.21Å
30Q85Confident83.4Confident94 Ų9464.7 Ų64.744%0.43934%0.341SS..Hα-helixtrans-58.2-35.9172.2-178.8178.6-21.200111.7W15 E32 Y33 E34W15-Q30 HydrophobicContact CB-CG 4.17Å; W15-Q30 HydrophobicContact CD2-CB 4Å; W15-Q30 HydrophobicContact CD2-CG 4.18Å; W15-Q30 HydrophobicContact CG-CB 4.09Å; W15-Q30 HydrophobicContact CG-CG 3.85Å; W15-Q30 HydrophobicContact CZ2-CB 4.46Å; Q30-E32 VanDerWaalsContact C-N 3.32Å; Q30-E32 PolarHBondContact O-N 2.94Å; Q30-Y33 WeakPolarHBondContact O-CB 3.37Å; Q30-Y33 PolarHBondContact O-N 3.06Å; Q30-E34 HydrophobicContact CG-CG 4.38Å; Q30-E34 WeakPolarHBondContact CG-OE1 3.23Å; Q30-E34 PolarHBondContact NE2-OE1 3.03Å; Q30-E34 WeakPolarHBondContact O-CG 3.42Å; Q30-E34 PolarHBondContact O-N 2.81Å
31R84.7Confident83.7Confident207 Ų20761.1 Ų61.178%0.78131%0.312SS*.Hα-helixtrans-65.2-35.8-179.9-70.3-176.5178.2176.10.3112.6S29 E34 K35S29-R31 PolarHBondContact O-N 3.03Å; S29-R31 PolarHBondContact OG-N 3.44Å; R31-E34 PolarHBondContact O-N 2.84Å; R31-K35 WeakPolarHBondContact O-CB 3.32Å; R31-K35 PolarHBondContact O-N 2.99Å
32E84.3Confident84Confident70 Ų7056.6 Ų56.633%0.32729%0.288SS..Hα-helixtrans-70.3-39.6178-160.161.2-155.300110.1S29 Q30 E34 K35 H36S29-E32 PolarHBondContact O-N 3.2Å; S29-E32 PolarHBondContact OG-N 3.4Å; Q30-E32 VanDerWaalsContact C-N 3.32Å; Q30-E32 PolarHBondContact O-N 2.94Å; E32-E34 PolarHBondContact O-N 2.81Å; E32-K35 WeakPolarHBondContact O-CB 3.16Å; E32-K35 PolarHBondContact O-N 3.18Å; E32-K35 IonicContact OE1-NZ 3.87Å; E32-K35 PolarHBondContact OE1-NZ 3.08Å; E32-H36 PolarHBondContact O-CD2 3.29Å; E32-H36 PolarHBondContact O-N 2.67Å; E32-H36 IonicContact OE1-NE2 2.83Å
33Y84Confident84.3Confident6 Ų661.9 Ų61.92%0.02431%0.308CS..Hα-helixtrans-60.9-45.2172.4-174.4-116.2000112.8V5 I9 Y13 W15 L18 L26 S29 Q30 K35 H36 V37V5-Y33 HydrophobicContact CG1-CD2 4.35Å; V5-Y33 HydrophobicContact CG1-CE2 4.25Å; I9-Y33 HydrophobicContact CD1-CE2 4.28Å; I9-Y33 HydrophobicContact CG1-CE2 3.77Å; Y13-Y33 PolarHBondContact O-OH 2.9Å; W15-Y33 HydrophobicContact CB-CD1 4.18Å; W15-Y33 AromaticContact CE3-CD1 3.82Å; W15-Y33 HydrophobicContact CE3-CD1 3.82Å; W15-Y33 HydrophobicContact CE3-CD2 4.48Å; W15-Y33 AromaticContact CE3-CG 3.65Å; W15-Y33 HydrophobicContact CE3-CG 3.65Å; W15-Y33 HydrophobicContact CZ3-CG 4.09Å; L18-Y33 HydrophobicContact CD1-CD1 3.93Å; L18-Y33 HydrophobicContact CD1-CD2 3.74Å; L18-Y33 HydrophobicContact CD1-CE1 3.82Å; L18-Y33 HydrophobicContact CD1-CE2 3.63Å; L18-Y33 HydrophobicContact CD1-CG 3.88Å; L18-Y33 HydrophobicContact CD2-CE2 4.14Å; L18-Y33 HydrophobicContact CG-CE2 4.47Å; L26-Y33 HydrophobicContact CD1-CD2 3.55Å; L26-Y33 HydrophobicContact CD1-CE2 4.46Å; L26-Y33 HydrophobicContact CD1-CG 4.2Å; S29-Y33 PolarHBondContact O-N 3.21Å; Q30-Y33 WeakPolarHBondContact O-CB 3.37Å; Q30-Y33 PolarHBondContact O-N 3.06Å; Y33-K35 VanDerWaalsContact C-N 3.27Å; Y33-K35 PolarHBondContact O-N 2.83Å; Y33-H36 CarbonylContact O-C 3.59Å; Y33-H36 PolarHBondContact O-N 3.41Å; Y33-H36 VanDerWaalsContact O-N 3.13Å; Y33-V37 HydrophobicContact CD1-CG2 4.07Å; Y33-V37 HydrophobicContact CD2-CG2 4.49Å; Y33-V37 HydrophobicContact CE1-CG2 3.74Å; Y33-V37 HydrophobicContact CE2-CG2 4.2Å; Y33-V37 HydrophobicContact CG-CG2 4.44Å; Y33-V37 VanDerWaalsContact O-CG2 3.29Å; Y33-V37 WeakPolarHBondContact O-CG2 3.31Å; Y33-V37 PolarHBondContact O-N 3.08Å
34E85.5Confident84.4Confident61 Ų6160.9 Ų60.929%0.28530%0.304SS..Hα-helixtrans-60-37.9176.3-72175.5-175.900112.1Q30 R31 E32 V37 L38 V56Q30-E34 HydrophobicContact CG-CG 4.38Å; Q30-E34 WeakPolarHBondContact CG-OE1 3.23Å; Q30-E34 PolarHBondContact NE2-OE1 3.03Å; Q30-E34 WeakPolarHBondContact O-CG 3.42Å; Q30-E34 PolarHBondContact O-N 2.81Å; R31-E34 PolarHBondContact O-N 2.84Å; E32-E34 PolarHBondContact O-N 2.81Å; E34-V37 PolarHBondContact O-N 2.82Å; E34-L38 PolarHBondContact O-N 3.05Å; E34-V56 HydrophobicContact CB-CG1 3.93Å; E34-V56 HydrophobicContact CB-CG2 4.02Å; E34-V56 HydrophobicContact CG-CG2 4Å
35K86.4Confident84.7Confident112 Ų11254.4 Ų54.449%0.48727%0.274SS..Hα-helixtrans-65.6-42.7173.4-175.7-175.4170.5-161.40111.8R31 E32 Y33 L38 L39R31-K35 WeakPolarHBondContact O-CB 3.32Å; R31-K35 PolarHBondContact O-N 2.99Å; E32-K35 WeakPolarHBondContact O-CB 3.16Å; E32-K35 PolarHBondContact O-N 3.18Å; E32-K35 IonicContact OE1-NZ 3.87Å; E32-K35 PolarHBondContact OE1-NZ 3.08Å; Y33-K35 VanDerWaalsContact C-N 3.27Å; Y33-K35 PolarHBondContact O-N 2.83Å; K35-L38 PolarHBondContact O-N 3Å; K35-L39 HydrophobicContact CG-CD1 4.16Å; K35-L39 WeakPolarHBondContact O-CB 3.4Å; K35-L39 WeakPolarHBondContact O-CG 3.33Å; K35-L39 PolarHBondContact O-N 2.76Å
36H84.7Confident84.9Confident40 Ų4053 Ų5319%0.18526%0.261CS..Hα-helixtrans-64.1-40.6173.9-78.4-70.1000112.3V5 I9 L26 E32 Y33 L38 L39 Y40V5-H36 HydrophobicContact CG1-CB 4.43Å; I9-H36 HydrophobicContact CD1-CB 4.28Å; L26-H36 VanDerWaalsContact CD2-CD2 3.48Å; L26-H36 WeakPolarHBondContact CD2-CD2 3.18Å; E32-H36 PolarHBondContact O-CD2 3.29Å; E32-H36 PolarHBondContact O-N 2.67Å; E32-H36 IonicContact OE1-NE2 2.83Å; Y33-H36 CarbonylContact O-C 3.59Å; Y33-H36 PolarHBondContact O-N 3.41Å; Y33-H36 VanDerWaalsContact O-N 3.13Å; H36-L38 VanDerWaalsContact C-N 3.34Å; H36-L38 PolarHBondContact O-N 3.04Å; H36-L39 PolarHBondContact O-N 3.21Å; H36-Y40 WeakPolarHBondContact O-CB 3.39Å; H36-Y40 PolarHBondContact O-N 3.06Å
37V86.1Confident85.2Confident2 Ų257.6 Ų57.61%0.01228%0.278CS..Hα-helixtrans-58.4-47.2173.8168.80000110.3I9 Y33 E34 S41 L52 V56I9-V37 HydrophobicContact CD1-CG2 4.18Å; I9-V37 HydrophobicContact CG1-CG2 3.93Å; I9-V37 HydrophobicContact CG2-CG2 4.42Å; Y33-V37 HydrophobicContact CD1-CG2 4.07Å; Y33-V37 HydrophobicContact CD2-CG2 4.49Å; Y33-V37 HydrophobicContact CE1-CG2 3.74Å; Y33-V37 HydrophobicContact CE2-CG2 4.2Å; Y33-V37 HydrophobicContact CG-CG2 4.44Å; Y33-V37 VanDerWaalsContact O-CG2 3.29Å; Y33-V37 WeakPolarHBondContact O-CG2 3.31Å; Y33-V37 PolarHBondContact O-N 3.08Å; E34-V37 PolarHBondContact O-N 2.82Å; V37-S41 VanDerWaalsContact O-CB 3.23Å; V37-S41 WeakPolarHBondContact O-CB 3.34Å; V37-S41 PolarHBondContact O-N 3.4Å; V37-S41 PolarHBondContact O-OG 2.85Å; V37-L52 HydrophobicContact CG1-CB 3.7Å; V37-L52 HydrophobicContact CG2-CD1 4.34Å; V37-V56 HydrophobicContact CB-CG2 4.3Å; V37-V56 HydrophobicContact CG1-CG2 3.95Å
38L86.4Confident85.4Confident12 Ų1255.5 Ų55.56%0.06325%0.251CS..Hα-helixtrans-63-50.9179.1-177.965000111.5E34 K35 H36 Y40 S41 I42 V53 R57 Y63E34-L38 PolarHBondContact O-N 3.05Å; K35-L38 PolarHBondContact O-N 3Å; H36-L38 VanDerWaalsContact C-N 3.34Å; H36-L38 PolarHBondContact O-N 3.04Å; L38-Y40 PolarHBondContact O-N 2.91Å; L38-S41 PolarHBondContact O-N 2.83Å; L38-I42 HydrophobicContact CD1-CD1 3.99Å; L38-I42 HydrophobicContact CD1-CG1 4.44Å; L38-I42 HydrophobicContact CG-CD1 3.95Å; L38-I42 WeakPolarHBondContact O-CG1 3.41Å; L38-I42 PolarHBondContact O-N 3.4Å; L38-V53 HydrophobicContact CD1-CG1 4.5Å; L38-R57 HydrophobicContact CD1-CG 3.94Å; L38-R57 VanDerWaalsContact CD2-NH2 3.34Å; L38-Y63 HydrophobicContact CD1-CD2 3.93Å; L38-Y63 HydrophobicContact CD1-CE2 4.07Å
39L86.3Confident85.1Confident73 Ų7358.5 Ų58.538%0.38225%0.254SS..Hα-helixtrans-62.2-43.9-179.9-73.4172000112.3M1 K35 H36 S41 I42 R43M1-L39 HydrophobicContact CE-CB 3.42Å; M1-L39 VanDerWaalsContact CE-CB 3.42Å; M1-L39 HydrophobicContact CE-CD1 4.04Å; M1-L39 HydrophobicContact CE-CG 4.39Å; K35-L39 HydrophobicContact CG-CD1 4.16Å; K35-L39 WeakPolarHBondContact O-CB 3.4Å; K35-L39 WeakPolarHBondContact O-CG 3.33Å; K35-L39 PolarHBondContact O-N 2.76Å; H36-L39 PolarHBondContact O-N 3.21Å; L39-S41 VanDerWaalsContact C-N 3.31Å; L39-S41 PolarHBondContact O-N 2.88Å; L39-I42 PolarHBondContact O-N 3.3Å; L39-R43 VanDerWaalsContact O-CB 3.28Å; L39-R43 WeakPolarHBondContact O-CB 3.47Å; L39-R43 PolarHBondContact O-N 2.84Å
40Y86.2Confident84.8Confident15 Ų1562.1 Ų62.16%0.05927%0.27CS..Hα-helixtrans-62.1-41175.9-179.9-90.9000111.2E6 I9 H36 L38 R43 N44 L46E6-Y40 HydrophobicContact CB-CD2 4.06Å; E6-Y40 HydrophobicContact CB-CE2 3.64Å; E6-Y40 HydrophobicContact CG-CD2 3.7Å; E6-Y40 HydrophobicContact CG-CE2 3.73Å; I9-Y40 HydrophobicContact CB-CD1 4.14Å; I9-Y40 HydrophobicContact CB-CE1 4.39Å; I9-Y40 HydrophobicContact CB-CG 4.46Å; I9-Y40 HydrophobicContact CD1-CG 4.34Å; I9-Y40 HydrophobicContact CG2-CD1 3.34Å; I9-Y40 HydrophobicContact CG2-CE1 3.83Å; I9-Y40 HydrophobicContact CG2-CG 3.95Å; H36-Y40 WeakPolarHBondContact O-CB 3.39Å; H36-Y40 PolarHBondContact O-N 3.06Å; L38-Y40 PolarHBondContact O-N 2.91Å; Y40-R43 PolarHBondContact O-N 3.22Å; Y40-N44 VanDerWaalsContact CD2-ND2 3.25Å; Y40-N44 WeakPolarHBondContact CD2-ND2 3.41Å; Y40-N44 WeakPolarHBondContact CE1-ND2 3.42Å; Y40-N44 WeakPolarHBondContact CE2-ND2 3.39Å; Y40-N44 WeakPolarHBondContact O-CB 3.27Å; Y40-N44 PolarHBondContact O-N 2.93Å; Y40-N44 PolarHBondContact O-ND2 2.75Å; Y40-L46 HydrophobicContact CD1-CD1 4.1Å; Y40-L46 HydrophobicContact CE1-CD1 4Å
41S87.1Confident84.6Confident2 Ų259.2 Ų59.21%0.01426%0.258CS..Hα-helixtrans-72-36-177.6-57.30000112.9V37 L38 L39 Q45 L46 V53 Y63V37-S41 VanDerWaalsContact O-CB 3.23Å; V37-S41 WeakPolarHBondContact O-CB 3.34Å; V37-S41 PolarHBondContact O-N 3.4Å; V37-S41 PolarHBondContact O-OG 2.85Å; L38-S41 PolarHBondContact O-N 2.83Å; L39-S41 VanDerWaalsContact C-N 3.31Å; L39-S41 PolarHBondContact O-N 2.88Å; S41-Q45 PolarHBondContact O-N 3.3Å; S41-L46 PolarHBondContact O-N 3.44Å; S41-V53 WeakPolarHBondContact OG-CG2 3.41Å; S41-Y63 WeakPolarHBondContact CB-OH 3.33Å; S41-Y63 PolarHBondContact O-OH 3.3Å
42I87.4Confident84.3Confident5 Ų550.1 Ų50.13%0.02622%0.224CC..Hα-helixtrans-66.3-49172.3-71.1169.1000110L38 L39 N44 Q45 Y63 E66 Y70L38-I42 HydrophobicContact CD1-CD1 3.99Å; L38-I42 HydrophobicContact CD1-CG1 4.44Å; L38-I42 HydrophobicContact CG-CD1 3.95Å; L38-I42 WeakPolarHBondContact O-CG1 3.41Å; L38-I42 PolarHBondContact O-N 3.4Å; L39-I42 PolarHBondContact O-N 3.3Å; I42-N44 VanDerWaalsContact C-N 3.28Å; I42-N44 PolarHBondContact O-N 3.47Å; I42-Q45 PolarHBondContact O-N 2.9Å; I42-Q45 VanDerWaalsContact O-N 3.12Å; I42-Y63 HydrophobicContact CG1-CE2 3.9Å; I42-E66 HydrophobicContact CD1-CG 3.96Å; I42-Y70 VanDerWaalsContact CG2-CB 3.44Å; I42-Y70 HydrophobicContact CG2-CD1 3.58Å; I42-Y70 HydrophobicContact CG2-CD2 3.95Å; I42-Y70 HydrophobicContact CG2-CE1 4.33Å; I42-Y70 HydrophobicContact CG2-CG 3.37Å
43R85.6Confident84.1Confident114 Ų11446.8 Ų46.843%0.4321%0.209SC..Hα-helixtrans-61.1-34.7-178.8-172.8178.6-178.6-167.90.9113.2L39 Y40 Y70 M76L39-R43 VanDerWaalsContact O-CB 3.28Å; L39-R43 WeakPolarHBondContact O-CB 3.47Å; L39-R43 PolarHBondContact O-N 2.84Å; Y40-R43 PolarHBondContact O-N 3.22Å; R43-Y70 HydrophobicContact CB-CE1 4.49Å; R43-M76 WeakPolarHBondContact O-CE 3.4Å
44N84.4Confident83.9Confident25 Ų2553.9 Ų53.913%0.13424%0.236CC..THydrogen-bonded Turntrans-9910.1178.8-63.2-62.1000113.4Y40 I42 L46 Y250Y40-N44 VanDerWaalsContact CD2-ND2 3.25Å; Y40-N44 WeakPolarHBondContact CD2-ND2 3.41Å; Y40-N44 WeakPolarHBondContact CE1-ND2 3.42Å; Y40-N44 WeakPolarHBondContact CE2-ND2 3.39Å; Y40-N44 WeakPolarHBondContact O-CB 3.27Å; Y40-N44 PolarHBondContact O-N 2.93Å; Y40-N44 PolarHBondContact O-ND2 2.75Å; I42-N44 VanDerWaalsContact C-N 3.28Å; I42-N44 PolarHBondContact O-N 3.47Å; N44-L46 VanDerWaalsContact C-N 3.32Å; N44-L46 HydrophobicContact CB-CD2 4.11Å; N44-L46 HydrophobicContact CB-CG 4.08Å; N44-L46 PolarHBondContact O-N 3.06Å; N44-Y250 WeakPolarHBondContact OD1-CD1 3.38Å; N44-Y250 WeakPolarHBondContact OD1-CE1 3.5Å
45Q86.9Confident83.5Confident9 Ų958.2 Ų58.24%0.04226%0.256CS..THydrogen-bonded Turntrans50.244.9178.2-57.9177.3-21.700114.3S41 I42 L67 S71 M76 L77 H81S41-Q45 PolarHBondContact O-N 3.3Å; I42-Q45 PolarHBondContact O-N 2.9Å; I42-Q45 VanDerWaalsContact O-N 3.12Å; Q45-L67 HydrophobicContact CG-CD2 4.27Å; Q45-S71 PolarHBondContact NE2-OG 3.34Å; Q45-M76 HydrophobicContact CG-CE 4.26Å; Q45-L77 PolarHBondContact NE2-O 2.94Å; Q45-H81 PolarHBondContact O-NE2 2.96Å
46L86.1Confident83.1Confident36 Ų3654.2 Ų54.219%0.18824%0.241CC..  trans-76.1146.7-174.7-61.6-174.8000113.1Y40 S41 N44 Y63Y40-L46 HydrophobicContact CD1-CD1 4.1Å; Y40-L46 HydrophobicContact CE1-CD1 4Å; S41-L46 PolarHBondContact O-N 3.44Å; N44-L46 VanDerWaalsContact C-N 3.32Å; N44-L46 HydrophobicContact CB-CD2 4.11Å; N44-L46 HydrophobicContact CB-CG 4.08Å; N44-L46 PolarHBondContact O-N 3.06Å; L46-Y63 PolarHBondContact O-OH 3.47Å
47R86.1Confident82.8Confident111 Ų11157.4 Ų57.442%0.41925%0.251SS..  trans-66.5142.3173.6-75.7-176.5175.7-176.6-1111.9N51 H81 L82R47-N51 WeakPolarHBondContact O-CB 3.41Å; R47-N51 PolarHBondContact O-ND2 3.13Å; R47-H81 PolarHBondContact NH2-O 3.02Å; R47-L82 HydrophobicContact CG-CD2 3.4Å; R47-L82 VanDerWaalsContact CG-CD2 3.4Å
48F82.7Confident82.4Confident15 Ų1567.5 Ų67.57%0.06630%0.295CS..SBendtrans-69.2-43-178.2-177.9-98.7000113.2N50 V53 R54 R57 E60 Y63 Y64F48-N50 PolarHBondContact O-N 3.05Å; F48-V53 HydrophobicContact CD2-CB 4.42Å; F48-V53 HydrophobicContact CD2-CG1 3.87Å; F48-V53 HydrophobicContact CE2-CG1 4.18Å; F48-R54 HydrophobicContact CE1-CB 4.31Å; F48-R54 HydrophobicContact CE1-CG 4.08Å; F48-R54 HydrophobicContact CZ-CB 4.28Å; F48-R54 HydrophobicContact CZ-CG 4.23Å; F48-R57 HydrophobicContact CE2-CB 4.31Å; F48-R57 WeakPolarHBondContact CE2-O 3.47Å; F48-R57 WeakPolarHBondContact CZ-O 3.47Å; F48-E60 HydrophobicContact CB-CG 4.17Å; F48-E60 HydrophobicContact CD1-CB 3.89Å; F48-E60 HydrophobicContact CD1-CG 3.7Å; F48-E60 HydrophobicContact CE1-CB 3.91Å; F48-E60 HydrophobicContact CE1-CG 4.24Å; F48-E60 HydrophobicContact CG-CB 4.3Å; F48-E60 HydrophobicContact CG-CG 3.95Å; F48-E60 HydrophobicContact CZ-CB 4.32Å; F48-Y63 HydrophobicContact CB-CD1 4.17Å; F48-Y63 HydrophobicContact CB-CE1 4.33Å; F48-Y63 AromaticContact CD2-CD1 3.97Å; F48-Y63 HydrophobicContact CD2-CD1 3.97Å; F48-Y63 HydrophobicContact CD2-CG 4.2Å; F48-Y64 HydrophobicContact CB-CE2 3.85Å; F48-Y64 WeakPolarHBondContact CB-OH 3.48Å; F48-Y64 PolarHBondContact N-OH 3.46Å
49R76.4Confident82.3Confident171 Ų17170.2 Ų70.265%0.64531%0.309SS*.THydrogen-bonded Turntrans-72.8-27.2-166.8-64.7-177.8-178.5-170.8-6115.4E60R49-E60 IonicContact CZ-OE1 2.95Å; R49-E60 IonicContact CZ-OE2 2.98Å; R49-E60 IonicContact NE-OE1 3.39Å; R49-E60 PolarHBondContact NE-OE1 3.16Å; R49-E60 IonicContact NE-OE2 3.64Å; R49-E60 IonicContact NH2-OE1 3.89Å; R49-E60 IonicContact NH2-OE2 3.53Å; R49-E60 PolarHBondContact NH2-OE2 3.36Å
50N77.8Confident82.3Confident125 Ų12569.3 Ų69.367%0.66830%0.303SS*.THydrogen-bonded Turntrans-107.3-0.6-173.5-64.6-4.4000113.4F48F48-N50 PolarHBondContact O-N 3.05Å
51N81.4Confident82.3Confident33 Ų3375.6 Ų75.618%0.17633%0.327CS..SBendtrans-121.9163.2-172.7-67-59.3000112.7N12 R47 V53 R54N12-N51 WeakPolarHBondContact OD1-CA 3.4Å; R47-N51 WeakPolarHBondContact O-CB 3.41Å; R47-N51 PolarHBondContact O-ND2 3.13Å; N51-V53 PolarHBondContact O-N 2.92Å; N51-R54 PolarHBondContact O-N 3.46Å
52L78.7Confident82.3Confident15 Ų1583.8 Ų83.88%0.07936%0.357CS..THydrogen-bonded Turntrans-53.7-21.7179.4-70.3172000114.6N12 Y13 V37 R54 H55N12-L52 HydrophobicContact CB-CG 4.28Å; N12-L52 PolarHBondContact OD1-N 2.81Å; Y13-L52 WeakPolarHBondContact O-CD1 3.4Å; V37-L52 HydrophobicContact CG1-CB 3.7Å; V37-L52 HydrophobicContact CG2-CD1 4.34Å; L52-R54 PolarHBondContact O-N 3.12Å; L52-R54 VanDerWaalsContact O-N 3.14Å; L52-H55 WeakPolarHBondContact O-CB 3.31Å; L52-H55 PolarHBondContact O-N 3.11Å
53V79.5Confident82.4Confident0 Ų083.6 Ų83.60%036%0.356CS..Hα-helixtrans-51.9-36.4177.4-175.30000112.5L38 S41 F48 N51 H55 V56 R57 Y63L38-V53 HydrophobicContact CD1-CG1 4.5Å; S41-V53 WeakPolarHBondContact OG-CG2 3.41Å; F48-V53 HydrophobicContact CD2-CB 4.42Å; F48-V53 HydrophobicContact CD2-CG1 3.87Å; F48-V53 HydrophobicContact CE2-CG1 4.18Å; N51-V53 PolarHBondContact O-N 2.92Å; V53-H55 PolarHBondContact O-N 3.17Å; V53-H55 VanDerWaalsContact O-N 3.15Å; V53-V56 PolarHBondContact O-N 3.5Å; V53-R57 HydrophobicContact CG1-CB 4.48Å; V53-R57 PolarHBondContact O-N 2.93Å; V53-Y63 HydrophobicContact CG1-CD1 4.45Å; V53-Y63 HydrophobicContact CG1-CD2 3.61Å; V53-Y63 HydrophobicContact CG1-CE1 4.38Å; V53-Y63 HydrophobicContact CG1-CE2 3.52Å; V53-Y63 HydrophobicContact CG1-CG 4.08Å; V53-Y63 HydrophobicContact CG2-CE2 4.25Å
54R80.7Confident82.6Confident156 Ų15678.3 Ų78.359%0.58934%0.336SS*.Hα-helixtrans-56.9-31.1178.6-176.9179.8176.6-170.2-0.8113.1F48 N51 L52F48-R54 HydrophobicContact CE1-CB 4.31Å; F48-R54 HydrophobicContact CE1-CG 4.08Å; F48-R54 HydrophobicContact CZ-CB 4.28Å; F48-R54 HydrophobicContact CZ-CG 4.23Å; N51-R54 PolarHBondContact O-N 3.46Å; L52-R54 PolarHBondContact O-N 3.12Å; L52-R54 VanDerWaalsContact O-N 3.14Å
55H76.4Confident82.9Confident152 Ų15281.1 Ų81.170%0.70435%0.349SS*.Hα-helixtrans-81.2-22.7178.6-61.9-65.6000112.5L52 V53L52-H55 WeakPolarHBondContact O-CB 3.31Å; L52-H55 PolarHBondContact O-N 3.11Å; V53-H55 PolarHBondContact O-N 3.17Å; V53-H55 VanDerWaalsContact O-N 3.15Å
56V77.4Confident83Confident28 Ų2884.8 Ų84.817%0.1737%0.366CS..Hα-helixtrans-92.1-38.6-177.8-176.90000112.2E34 V37 V53E34-V56 HydrophobicContact CB-CG1 3.93Å; E34-V56 HydrophobicContact CB-CG2 4.02Å; E34-V56 HydrophobicContact CG-CG2 4Å; V37-V56 HydrophobicContact CB-CG2 4.3Å; V37-V56 HydrophobicContact CG1-CG2 3.95Å; V53-V56 PolarHBondContact O-N 3.5Å
57R78.8Confident83.3Confident107 Ų10783 Ų8340%0.40436%0.357SS..  trans-123.4130.4-179.5-71.9-68-173-111.35.5109.5L38 F48 V53L38-R57 HydrophobicContact CD1-CG 3.94Å; L38-R57 VanDerWaalsContact CD2-NH2 3.34Å; F48-R57 HydrophobicContact CE2-CB 4.31Å; F48-R57 WeakPolarHBondContact CE2-O 3.47Å; F48-R57 WeakPolarHBondContact CZ-O 3.47Å; V53-R57 HydrophobicContact CG1-CB 4.48Å; V53-R57 PolarHBondContact O-N 2.93Å
58K78.4Confident83.5Confident214 Ų21478.7 Ų78.793%0.9334%0.341SS*.SBendtrans-90.3-20.3179.4-64.6-176.1179.2-179.60113.4
59D84.6Confident83.9Confident68 Ų6884.6 Ų84.636%0.36437%0.367SS..  trans-101.2105.8-177.4-167.8-21.9000109.9R61 R62 Y63D59-R61 VanDerWaalsContact C-N 3.34Å; D59-R61 PolarHBondContact OD1-N 3.26Å; D59-R61 VanDerWaalsContact OD1-N 3.13Å; D59-R62 HydrophobicContact CB-CB 4.14Å; D59-R62 HydrophobicContact CB-CG 4.34Å; D59-R62 PolarHBondContact OD1-N 2.65Å; D59-R62 WeakPolarHBondContact OD2-CD 3.43Å; D59-R62 VanDerWaalsContact OD2-CG 3.25Å; D59-R62 WeakPolarHBondContact OD2-CG 3.48Å; D59-R62 IonicContact OD2-CZ 3.75Å; D59-R62 IonicContact OD2-NE 3.65Å; D59-R62 PolarHBondContact OD2-NE 3.11Å; D59-Y63 PolarHBondContact O-N 3.4Å
60E85.4Confident84.6Confident54 Ų5479.5 Ų79.525%0.25235%0.348SS..Hα-helixtrans-63.2-40.7-180-176169.8-15000110.8F48 R49 Y63 Y64F48-E60 HydrophobicContact CB-CG 4.17Å; F48-E60 HydrophobicContact CD1-CB 3.89Å; F48-E60 HydrophobicContact CD1-CG 3.7Å; F48-E60 HydrophobicContact CE1-CB 3.91Å; F48-E60 HydrophobicContact CE1-CG 4.24Å; F48-E60 HydrophobicContact CG-CB 4.3Å; F48-E60 HydrophobicContact CG-CG 3.95Å; F48-E60 HydrophobicContact CZ-CB 4.32Å; R49-E60 IonicContact CZ-OE1 2.95Å; R49-E60 IonicContact CZ-OE2 2.98Å; R49-E60 IonicContact NE-OE1 3.39Å; R49-E60 PolarHBondContact NE-OE1 3.16Å; R49-E60 IonicContact NE-OE2 3.64Å; R49-E60 IonicContact NH2-OE1 3.89Å; R49-E60 IonicContact NH2-OE2 3.53Å; R49-E60 PolarHBondContact NH2-OE2 3.36Å; E60-Y63 PolarHBondContact O-N 3.5Å; E60-Y64 HydrophobicContact CG-CD2 3.96Å; E60-Y64 HydrophobicContact CG-CE2 3.57Å; E60-Y64 WeakPolarHBondContact O-CD2 3.24Å; E60-Y64 PolarHBondContact O-N 2.96Å
61R86.1Confident85.2Confident148 Ų14873.5 Ų73.556%0.55832%0.316SS*.Hα-helixtrans-67.3-48.2-176.1-174.3-178.3174.6132.61.9111.5D59 Y63 Y64 E65 L90D59-R61 VanDerWaalsContact C-N 3.34Å; D59-R61 PolarHBondContact OD1-N 3.26Å; D59-R61 VanDerWaalsContact OD1-N 3.13Å; R61-Y63 VanDerWaalsContact C-N 3.28Å; R61-Y63 PolarHBondContact O-N 3.29Å; R61-Y64 PolarHBondContact O-N 3.24Å; R61-E65 IonicContact CZ-OE1 2.74Å; R61-E65 IonicContact NE-OE1 3.26Å; R61-E65 PolarHBondContact NE-OE1 3.17Å; R61-E65 IonicContact NH2-OE1 2.72Å; R61-E65 WeakPolarHBondContact O-CG 3.46Å; R61-E65 PolarHBondContact O-N 3.33Å; R61-L90 HydrophobicContact CG-CD2 3.75Å
62R87.5Confident85.6Confident173 Ų17375.6 Ų75.665%0.65332%0.322SS*.Hα-helixtrans-62.4-35.2178.9-73.8-177.6-174.5-178.11.4112.8D59 E65 E66D59-R62 HydrophobicContact CB-CB 4.14Å; D59-R62 HydrophobicContact CB-CG 4.34Å; D59-R62 PolarHBondContact OD1-N 2.65Å; D59-R62 WeakPolarHBondContact OD2-CD 3.43Å; D59-R62 VanDerWaalsContact OD2-CG 3.25Å; D59-R62 WeakPolarHBondContact OD2-CG 3.48Å; D59-R62 IonicContact OD2-CZ 3.75Å; D59-R62 IonicContact OD2-NE 3.65Å; D59-R62 PolarHBondContact OD2-NE 3.11Å; R62-E65 PolarHBondContact O-N 3.41Å; R62-E66 WeakPolarHBondContact O-CB 3.32Å; R62-E66 PolarHBondContact O-N 3.3Å
63Y89.8Confident86.1Confident2 Ų279.5 Ų79.51%0.00834%0.342CS..Hα-helixtrans-60.7-46.8175.6167.7-104.9000111.5L38 S41 I42 L46 F48 V53 D59 E60 R61 E66 L67L38-Y63 HydrophobicContact CD1-CD2 3.93Å; L38-Y63 HydrophobicContact CD1-CE2 4.07Å; S41-Y63 WeakPolarHBondContact CB-OH 3.33Å; S41-Y63 PolarHBondContact O-OH 3.3Å; I42-Y63 HydrophobicContact CG1-CE2 3.9Å; L46-Y63 PolarHBondContact O-OH 3.47Å; F48-Y63 HydrophobicContact CB-CD1 4.17Å; F48-Y63 HydrophobicContact CB-CE1 4.33Å; F48-Y63 AromaticContact CD2-CD1 3.97Å; F48-Y63 HydrophobicContact CD2-CD1 3.97Å; F48-Y63 HydrophobicContact CD2-CG 4.2Å; V53-Y63 HydrophobicContact CG1-CD1 4.45Å; V53-Y63 HydrophobicContact CG1-CD2 3.61Å; V53-Y63 HydrophobicContact CG1-CE1 4.38Å; V53-Y63 HydrophobicContact CG1-CE2 3.52Å; V53-Y63 HydrophobicContact CG1-CG 4.08Å; V53-Y63 HydrophobicContact CG2-CE2 4.25Å; D59-Y63 PolarHBondContact O-N 3.4Å; E60-Y63 PolarHBondContact O-N 3.5Å; R61-Y63 VanDerWaalsContact C-N 3.28Å; R61-Y63 PolarHBondContact O-N 3.29Å; Y63-E66 PolarHBondContact O-N 2.87Å; Y63-L67 HydrophobicContact CE1-CD1 4.09Å; Y63-L67 WeakPolarHBondContact O-CB 3.38Å; Y63-L67 PolarHBondContact O-N 2.96Å
64Y89.7Confident86.5Confident2 Ų284.2 Ų84.21%0.00837%0.365CS..Hα-helixtrans-70.4-31.1179.1-70.9-62.9000113.2F48 E60 R61 L67 L68 L82 I85 M86F48-Y64 HydrophobicContact CB-CE2 3.85Å; F48-Y64 WeakPolarHBondContact CB-OH 3.48Å; F48-Y64 PolarHBondContact N-OH 3.46Å; E60-Y64 HydrophobicContact CG-CD2 3.96Å; E60-Y64 HydrophobicContact CG-CE2 3.57Å; E60-Y64 WeakPolarHBondContact O-CD2 3.24Å; E60-Y64 PolarHBondContact O-N 2.96Å; R61-Y64 PolarHBondContact O-N 3.24Å; Y64-L67 HydrophobicContact CD1-CD1 4.28Å; Y64-L67 PolarHBondContact O-N 2.94Å; Y64-L68 WeakPolarHBondContact O-CG 3.27Å; Y64-L68 PolarHBondContact O-N 2.96Å; Y64-L82 HydrophobicContact CD1-CD1 4.4Å; Y64-L82 HydrophobicContact CE1-CD1 4.03Å; Y64-L82 HydrophobicContact CE1-CD2 4.45Å; Y64-I85 HydrophobicContact CD1-CG2 4.39Å; Y64-I85 HydrophobicContact CD2-CG2 3.55Å; Y64-I85 HydrophobicContact CE1-CD1 4.13Å; Y64-I85 HydrophobicContact CE1-CG2 4.45Å; Y64-I85 HydrophobicContact CE2-CD1 3.77Å; Y64-I85 HydrophobicContact CE2-CG2 3.66Å; Y64-I85 HydrophobicContact CG-CG2 3.94Å; Y64-I85 VanDerWaalsContact CZ-CD1 3.42Å; Y64-I85 WeakPolarHBondContact OH-CD1 3.19Å; Y64-M86 HydrophobicContact CD1-CE 3.49Å; Y64-M86 VanDerWaalsContact CD1-CE 3.49Å; Y64-M86 HydrophobicContact CE1-CE 4.26Å; Y64-M86 HydrophobicContact CG-CE 4.08Å
65E90.2Very high87Confident85 Ų8577.8 Ų77.840%0.39734%0.342SS..Hα-helixtrans-64.4-43.1170.4-71171.1-178.800111.8R61 R62 K69 L90R61-E65 IonicContact CZ-OE1 2.74Å; R61-E65 IonicContact NE-OE1 3.26Å; R61-E65 PolarHBondContact NE-OE1 3.17Å; R61-E65 IonicContact NH2-OE1 2.72Å; R61-E65 WeakPolarHBondContact O-CG 3.46Å; R61-E65 PolarHBondContact O-N 3.33Å; R62-E65 PolarHBondContact O-N 3.41Å; E65-K69 WeakPolarHBondContact O-CB 3.38Å; E65-K69 PolarHBondContact O-N 2.93Å; E65-L90 HydrophobicContact CG-CD1 4.25Å; E65-L90 HydrophobicContact CG-CD2 3.83Å
66E90.2Very high87.6Confident85 Ų8570.8 Ų70.840%0.39731%0.309SS..Hα-helixtrans-65.7-40.4175.7-167.8176.3-178.900111.7I42 R62 Y63 K69 Y70I42-E66 HydrophobicContact CD1-CG 3.96Å; R62-E66 WeakPolarHBondContact O-CB 3.32Å; R62-E66 PolarHBondContact O-N 3.3Å; Y63-E66 PolarHBondContact O-N 2.87Å; E66-K69 PolarHBondContact O-N 2.9Å; E66-Y70 WeakPolarHBondContact O-CB 3.23Å; E66-Y70 PolarHBondContact O-N 2.88Å
67L90.9Very high88.2Confident0 Ų069.8 Ų69.80%030%0.303CS..Hα-helixtrans-61.4-50.1175.5-176.8162000111.6Q45 Y63 Y64 K69 Y70 S71 L82 M86Q45-L67 HydrophobicContact CG-CD2 4.27Å; Y63-L67 HydrophobicContact CE1-CD1 4.09Å; Y63-L67 WeakPolarHBondContact O-CB 3.38Å; Y63-L67 PolarHBondContact O-N 2.96Å; Y64-L67 HydrophobicContact CD1-CD1 4.28Å; Y64-L67 PolarHBondContact O-N 2.94Å; L67-K69 VanDerWaalsContact C-N 3.31Å; L67-K69 PolarHBondContact O-N 2.72Å; L67-Y70 PolarHBondContact O-N 2.86Å; L67-S71 PolarHBondContact O-N 3.28Å; L67-S71 PolarHBondContact O-OG 2.96Å; L67-L82 HydrophobicContact CD1-CD1 4.22Å; L67-L82 HydrophobicContact CD2-CD1 4.48Å; L67-M86 HydrophobicContact CD2-CE 4.3Å
68L90.4Very high88.8Confident19 Ų1964.8 Ų64.810%0.09928%0.284CS..Hα-helixtrans-62-39.7178.4-80.2-177.6000112.2Y64 S71 R72 P79 M86 L90 V92 Y97Y64-L68 WeakPolarHBondContact O-CG 3.27Å; Y64-L68 PolarHBondContact O-N 2.96Å; L68-S71 PolarHBondContact O-N 3.43Å; L68-R72 WeakPolarHBondContact O-CB 3.31Å; L68-R72 PolarHBondContact O-N 2.83Å; L68-P79 HydrophobicContact CD2-CG 4.22Å; L68-M86 HydrophobicContact CD1-SD 3.56Å; L68-M86 VanDerWaalsContact CD1-SD 3.56Å; L68-M86 HydrophobicContact CD2-CE 4.31Å; L68-M86 HydrophobicContact CD2-SD 3.79Å; L68-M86 HydrophobicContact CG-CE 4.2Å; L68-M86 HydrophobicContact CG-SD 3.62Å; L68-L90 HydrophobicContact CD1-CD1 3.72Å; L68-V92 HydrophobicContact CD1-CB 4.25Å; L68-V92 HydrophobicContact CD1-CG1 4.3Å; L68-V92 HydrophobicContact CD1-CG2 4.08Å; L68-Y97 HydrophobicContact CD2-CD2 4.32Å; L68-Y97 HydrophobicContact CD2-CE2 4.29Å
69K91.5Very high89.4Confident139 Ų13954.7 Ų54.760%0.60424%0.24SC*.Hα-helixtrans-61.6-48.9176-175.4-178.6176.5-175.40110.8E65 E66 L67 S71 R72 D73E65-K69 WeakPolarHBondContact O-CB 3.38Å; E65-K69 PolarHBondContact O-N 2.93Å; E66-K69 PolarHBondContact O-N 2.9Å; L67-K69 VanDerWaalsContact C-N 3.31Å; L67-K69 PolarHBondContact O-N 2.72Å; K69-S71 VanDerWaalsContact C-N 3.34Å; K69-S71 PolarHBondContact O-N 3.1Å; K69-R72 PolarHBondContact O-N 3.05Å; K69-D73 VanDerWaalsContact O-CG 3.28Å; K69-D73 PolarHBondContact O-N 2.97Å
70Y91.2Very high89.6Confident64 Ų6452.2 Ų52.225%0.25123%0.226SC..Hα-helixtrans-59.3-45.1176.9-178.4-83.9000111.8I42 R43 E66 L67 R72 D73 H74 M76I42-Y70 VanDerWaalsContact CG2-CB 3.44Å; I42-Y70 HydrophobicContact CG2-CD1 3.58Å; I42-Y70 HydrophobicContact CG2-CD2 3.95Å; I42-Y70 HydrophobicContact CG2-CE1 4.33Å; I42-Y70 HydrophobicContact CG2-CG 3.37Å; R43-Y70 HydrophobicContact CB-CE1 4.49Å; E66-Y70 WeakPolarHBondContact O-CB 3.23Å; E66-Y70 PolarHBondContact O-N 2.88Å; L67-Y70 PolarHBondContact O-N 2.86Å; Y70-R72 VanDerWaalsContact C-N 3.34Å; Y70-R72 PolarHBondContact O-N 2.8Å; Y70-D73 PolarHBondContact O-N 2.72Å; Y70-H74 AromaticContact CD1-ND1 3.75Å; Y70-H74 AromaticContact CD2-CE1 3.5Å; Y70-H74 AromaticContact CD2-ND1 3.73Å; Y70-H74 AromaticContact CE1-CE1 3.93Å; Y70-H74 AromaticContact CE1-CG 3.95Å; Y70-H74 AromaticContact CE1-ND1 3.62Å; Y70-H74 AromaticContact CE2-CE1 3.14Å; Y70-H74 WeakPolarHBondContact CE2-CE1 3.47Å; Y70-H74 AromaticContact CE2-ND1 3.64Å; Y70-H74 AromaticContact CE2-NE2 3.73Å; Y70-H74 AromaticContact CG-ND1 3.79Å; Y70-H74 AromaticContact CZ-CE1 3.36Å; Y70-H74 AromaticContact CZ-CG 3.99Å; Y70-H74 AromaticContact CZ-ND1 3.56Å; Y70-H74 AromaticContact CZ-NE2 3.66Å; Y70-H74 PolarHBondContact O-N 2.98Å; Y70-H74 PolarHBondContact O-ND1 3.05Å; Y70-M76 HydrophobicContact CD1-SD 4.09Å; Y70-M76 HydrophobicContact CE1-SD 4.02Å
71S90.6Very high89.7Confident0 Ų051.7 Ų51.70%022%0.224CC..Hα-helixtrans-61.7-40178.3-68.70000112.4Q45 L67 L68 K69 H74 L75 M76 Y97Q45-S71 PolarHBondContact NE2-OG 3.34Å; L67-S71 PolarHBondContact O-N 3.28Å; L67-S71 PolarHBondContact O-OG 2.96Å; L68-S71 PolarHBondContact O-N 3.43Å; K69-S71 VanDerWaalsContact C-N 3.34Å; K69-S71 PolarHBondContact O-N 3.1Å; S71-H74 CarbonylContact O-C 3.58Å; S71-H74 PolarHBondContact O-N 2.84Å; S71-L75 PolarHBondContact O-N 2.98Å; S71-L75 VanDerWaalsContact O-N 3.08Å; S71-M76 PolarHBondContact O-N 3.12Å; S71-Y97 VanDerWaalsContact CB-OH 3.3Å; S71-Y97 WeakPolarHBondContact CB-OH 3.47Å; S71-Y97 PolarHBondContact O-OH 3.12Å
72R90.1Very high89.8Confident77 Ų7744.7 Ų44.729%0.29120%0.197SC..Hα-helixtrans-66-45.5175179171.2170.7178.4-5.4112.2L68 K69 Y70 H74 L75 Y97 G100 I101 D104L68-R72 WeakPolarHBondContact O-CB 3.31Å; L68-R72 PolarHBondContact O-N 2.83Å; K69-R72 PolarHBondContact O-N 3.05Å; Y70-R72 VanDerWaalsContact C-N 3.34Å; Y70-R72 PolarHBondContact O-N 2.8Å; R72-H74 PolarHBondContact O-N 2.87Å; R72-L75 PolarHBondContact O-N 2.88Å; R72-Y97 HydrophobicContact CB-CE2 4.11Å; R72-Y97 PolarHBondContact N-OH 3.05Å; R72-G100 VanDerWaalsContact CZ-C 3.46Å; R72-G100 VanDerWaalsContact CZ-CA 3.44Å; R72-G100 PolarHBondContact NE-O 2.98Å; R72-G100 PolarHBondContact NH2-O 3.1Å; R72-I101 HydrophobicContact CB-CG1 4.42Å; R72-I101 HydrophobicContact CG-CG1 3.89Å; R72-D104 IonicContact CZ-OD1 3.17Å; R72-D104 IonicContact CZ-OD2 3.84Å; R72-D104 IonicContact NE-OD1 2.69Å; R72-D104 IonicContact NE-OD2 2.84Å; R72-D104 PolarHBondContact NE-OD2 3.41Å; R72-D104 IonicContact NH2-OD1 3.91Å; R72-D104 PolarHBondContact NH2-OD1 3.27Å; R72-D104 IonicContact NH2-OD2 3.82Å; R72-D104 PolarHBondContact NH2-OD2 3.36Å
73D89.3Confident89.8Confident96 Ų9636.7 Ų36.751%0.51317%0.168SC..Hα-helixtrans-61.9-32179.5-70-17.8000112.2K69 Y70K69-D73 VanDerWaalsContact O-CG 3.28Å; K69-D73 PolarHBondContact O-N 2.97Å; Y70-D73 PolarHBondContact O-N 2.72Å
74H88.1Confident89.6Confident100 Ų10039.4 Ų39.446%0.46318%0.182SC..THydrogen-bonded Turntrans-98.88.2179.8-64.279.1000114Y70 S71 R72 M76Y70-H74 AromaticContact CD1-ND1 3.75Å; Y70-H74 AromaticContact CD2-CE1 3.5Å; Y70-H74 AromaticContact CD2-ND1 3.73Å; Y70-H74 AromaticContact CE1-CE1 3.93Å; Y70-H74 AromaticContact CE1-CG 3.95Å; Y70-H74 AromaticContact CE1-ND1 3.62Å; Y70-H74 AromaticContact CE2-CE1 3.14Å; Y70-H74 WeakPolarHBondContact CE2-CE1 3.47Å; Y70-H74 AromaticContact CE2-ND1 3.64Å; Y70-H74 AromaticContact CE2-NE2 3.73Å; Y70-H74 AromaticContact CG-ND1 3.79Å; Y70-H74 AromaticContact CZ-CE1 3.36Å; Y70-H74 AromaticContact CZ-CG 3.99Å; Y70-H74 AromaticContact CZ-ND1 3.56Å; Y70-H74 AromaticContact CZ-NE2 3.66Å; Y70-H74 PolarHBondContact O-N 2.98Å; Y70-H74 PolarHBondContact O-ND1 3.05Å; S71-H74 CarbonylContact O-C 3.58Å; S71-H74 PolarHBondContact O-N 2.84Å; R72-H74 PolarHBondContact O-N 2.87Å; H74-M76 HydrophobicContact CB-CG 3.98Å; H74-M76 PolarHBondContact O-N 2.84Å
75L89.6Confident89.4Confident21 Ų2141 Ų4111%0.1119%0.19CC..THydrogen-bonded Turntrans5830.3178.4-50.1179.8000114.1S71 R72 I101 I105 L115 P116 T119S71-L75 PolarHBondContact O-N 2.98Å; S71-L75 VanDerWaalsContact O-N 3.08Å; R72-L75 PolarHBondContact O-N 2.88Å; L75-I101 HydrophobicContact CD2-CG2 3.71Å; L75-I105 HydrophobicContact CD1-CD1 4.27Å; L75-I105 HydrophobicContact CD2-CD1 3.85Å; L75-I105 HydrophobicContact CD2-CG1 3.97Å; L75-L115 HydrophobicContact CB-CD2 4.28Å; L75-L115 HydrophobicContact CD1-CD2 4.29Å; L75-L115 HydrophobicContact CD2-CD2 4.35Å; L75-P116 HydrophobicContact CB-CG 4.45Å; L75-P116 WeakPolarHBondContact O-CD 3Å; L75-P116 WeakPolarHBondContact O-CG 3.05Å; L75-T119 WeakPolarHBondContact O-CG2 3.33Å; L75-T119 PolarHBondContact O-OG1 3.44Å; L75-T119 VanDerWaalsContact O-OG1 3.04Å
76M89.7Confident89.3Confident5 Ų536.9 Ų36.93%0.02517%0.171CC..PPolyproline II helixtrans-71.9153.4-179.3-59.1-177.775.600111.6R43 Q45 Y70 S71 H74 Y97 D249R43-M76 WeakPolarHBondContact O-CE 3.4Å; Q45-M76 HydrophobicContact CG-CE 4.26Å; Y70-M76 HydrophobicContact CD1-SD 4.09Å; Y70-M76 HydrophobicContact CE1-SD 4.02Å; S71-M76 PolarHBondContact O-N 3.12Å; H74-M76 HydrophobicContact CB-CG 3.98Å; H74-M76 PolarHBondContact O-N 2.84Å; M76-Y97 PolarHBondContact O-OH 3.44Å; M76-D249 VanDerWaalsContact CB-OD2 3.29Å; M76-D249 WeakPolarHBondContact CB-OD2 3.38Å; M76-D249 HydrophobicContact CE-CB 3.89Å; M76-D249 WeakPolarHBondContact CE-OD2 3.26Å; M76-D249 HydrophobicContact CG-CB 4.25Å; M76-D249 VanDerWaalsContact CG-OD2 3.24Å; M76-D249 WeakPolarHBondContact CG-OD2 3.24Å
77L90.4Very high89Confident6 Ų633.1 Ų33.13%0.03115%0.154CC..PPolyproline II helixtrans-59145.2173-167.270.5000110.8Q45 Y98 F118 T119 D122 F251 M288Q45-L77 PolarHBondContact NE2-O 2.94Å; L77-Y98 WeakPolarHBondContact CD1-OH 3.44Å; L77-F118 HydrophobicContact CD1-CB 4.35Å; L77-F118 WeakPolarHBondContact CD1-O 3.47Å; L77-T119 PolarHBondContact N-OG1 3.32Å; L77-D122 HydrophobicContact CD1-CB 4.02Å; L77-F251 HydrophobicContact CD2-CD1 3.95Å; L77-F251 HydrophobicContact CD2-CE1 3.72Å; L77-M288 HydrophobicContact CD1-CE 4.39Å; L77-M288 HydrophobicContact CD2-CE 3.6Å; L77-M288 HydrophobicContact CD2-CG 4.37Å; L77-M288 HydrophobicContact CG-CE 4.17Å
78Y91.4Very high88.6Confident3 Ų336.9 Ų36.91%0.01217%0.17CC..PPolyproline II helixtrans-59.7131.2176.3179.4-94.9000110.7Y80 M86 V92 P94 Y97 Y98Y78-Y80 VanDerWaalsContact C-N 3.33Å; Y78-Y80 AromaticContact CD1-CD1 3.97Å; Y78-Y80 HydrophobicContact CD1-CD1 3.97Å; Y78-Y80 AromaticContact CD1-CD2 3.81Å; Y78-Y80 HydrophobicContact CD1-CD2 3.81Å; Y78-Y80 AromaticContact CD1-CE1 3.98Å; Y78-Y80 HydrophobicContact CD1-CE1 3.98Å; Y78-Y80 AromaticContact CD1-CE2 3.85Å; Y78-Y80 HydrophobicContact CD1-CE2 3.85Å; Y78-Y80 AromaticContact CD1-CG 3.9Å; Y78-Y80 HydrophobicContact CD1-CG 3.9Å; Y78-Y80 AromaticContact CD1-CZ 3.92Å; Y78-Y80 HydrophobicContact CE1-CD1 4.22Å; Y78-Y80 HydrophobicContact CE1-CE1 4.36Å; Y78-Y80 HydrophobicContact CE1-CG 4.43Å; Y78-Y80 HydrophobicContact CG-CE2 4.42Å; Y78-Y80 WeakPolarHBondContact O-CD2 3.49Å; Y78-Y80 PolarHBondContact O-N 2.97Å; Y78-M86 WeakPolarHBondContact OH-CB 3.25Å; Y78-V92 PolarHBondContact OH-O 2.92Å; Y78-P94 HydrophobicContact CD1-CB 4.12Å; Y78-P94 HydrophobicContact CD1-CG 3.89Å; Y78-P94 HydrophobicContact CD2-CB 4.49Å; Y78-P94 HydrophobicContact CE1-CB 4.33Å; Y78-P94 HydrophobicContact CE1-CG 3.65Å; Y78-P94 HydrophobicContact CE2-CG 4.5Å; Y78-P94 HydrophobicContact CG-CB 4.2Å; Y78-P94 HydrophobicContact CG-CG 4.41Å; Y78-Y97 AromaticContact CD2-CD1 3.77Å; Y78-Y97 HydrophobicContact CD2-CD1 3.77Å; Y78-Y97 HydrophobicContact CD2-CD2 4.3Å; Y78-Y97 HydrophobicContact CD2-CE1 4.41Å; Y78-Y97 AromaticContact CD2-CG 3.69Å; Y78-Y97 HydrophobicContact CD2-CG 3.69Å; Y78-Y97 HydrophobicContact CE2-CG 4.44Å; Y78-Y97 HydrophobicContact CG-CD1 4.31Å; Y78-Y98 VanDerWaalsContact CB-OH 3.32Å; Y78-Y98 WeakPolarHBondContact CB-OH 3.15Å; Y78-Y98 PolarHBondContact N-OH 2.83Å
79P89.9Confident88.1Confident1 Ų138 Ų381%0.00619%0.187CC..  trans-75.780.6-17630.3-35.9000111.6L68 H81 L82 M86L68-P79 HydrophobicContact CD2-CG 4.22Å; P79-H81 VanDerWaalsContact C-N 3.26Å; P79-H81 PolarHBondContact O-N 3.39Å; P79-L82 HydrophobicContact CB-CB 4.22Å; P79-L82 HydrophobicContact CB-CD1 3.95Å; P79-L82 HydrophobicContact CB-CG 4.15Å; P79-L82 HydrophobicContact CG-CD1 4.39Å; P79-L82 PolarHBondContact O-N 2.76Å; P79-M86 HydrophobicContact CG-CE 4.36Å; P79-M86 HydrophobicContact CG-CG 4.41Å
80Y89.5Confident87.7Confident16 Ų1632.7 Ų32.76%0.06317%0.165CC..G310 helixtrans-61.1-31-177.1-79.9-83.3000113.8Y78 L82 S83 P94 D122 R125 M288Y78-Y80 VanDerWaalsContact C-N 3.33Å; Y78-Y80 AromaticContact CD1-CD1 3.97Å; Y78-Y80 HydrophobicContact CD1-CD1 3.97Å; Y78-Y80 AromaticContact CD1-CD2 3.81Å; Y78-Y80 HydrophobicContact CD1-CD2 3.81Å; Y78-Y80 AromaticContact CD1-CE1 3.98Å; Y78-Y80 HydrophobicContact CD1-CE1 3.98Å; Y78-Y80 AromaticContact CD1-CE2 3.85Å; Y78-Y80 HydrophobicContact CD1-CE2 3.85Å; Y78-Y80 AromaticContact CD1-CG 3.9Å; Y78-Y80 HydrophobicContact CD1-CG 3.9Å; Y78-Y80 AromaticContact CD1-CZ 3.92Å; Y78-Y80 HydrophobicContact CE1-CD1 4.22Å; Y78-Y80 HydrophobicContact CE1-CE1 4.36Å; Y78-Y80 HydrophobicContact CE1-CG 4.43Å; Y78-Y80 HydrophobicContact CG-CE2 4.42Å; Y78-Y80 WeakPolarHBondContact O-CD2 3.49Å; Y78-Y80 PolarHBondContact O-N 2.97Å; Y80-L82 PolarHBondContact O-N 2.98Å; Y80-S83 WeakPolarHBondContact CA-OG 3.34Å; Y80-S83 VanDerWaalsContact O-CB 3.29Å; Y80-S83 WeakPolarHBondContact O-CB 3.41Å; Y80-S83 PolarHBondContact O-N 3.47Å; Y80-S83 PolarHBondContact O-OG 3.37Å; Y80-P94 HydrophobicContact CE1-CB 4.35Å; Y80-P94 HydrophobicContact CE1-CG 3.85Å; Y80-D122 VanDerWaalsContact CE2-OD2 3.27Å; Y80-D122 WeakPolarHBondContact CE2-OD2 3.45Å; Y80-D122 PolarHBondContact OH-OD2 3Å; Y80-R125 PolarHBondContact OH-NH2 3.28Å; Y80-R125 VanDerWaalsContact OH-NH2 3.12Å; Y80-M288 HydrophobicContact CD2-CE 3.23Å; Y80-M288 HydrophobicContact CD2-SD 3.18Å; Y80-M288 WeakPolarHBondContact CD2-SD 3.37Å; Y80-M288 HydrophobicContact CE2-CE 3.4Å; Y80-M288 HydrophobicContact CE2-SD 3.96Å; Y80-M288 HydrophobicContact CG-CE 4.2Å; Y80-M288 HydrophobicContact CG-SD 3.6Å
81H87.1Confident87.5Confident44 Ų4436.3 Ų36.320%0.20418%0.178CC..G310 helixtrans-66.7-11.9174.564.7-64.6000113.7Q45 R47 P79Q45-H81 PolarHBondContact O-NE2 2.96Å; R47-H81 PolarHBondContact NH2-O 3.02Å; P79-H81 VanDerWaalsContact C-N 3.26Å; P79-H81 PolarHBondContact O-N 3.39Å
82L88.8Confident87.3Confident0 Ų038 Ų380%019%0.188CC..G310 helixtrans-108.611.6174.6-55.2-179.6000112.4R47 Y64 L67 P79 Y80 D84 I85 M86R47-L82 HydrophobicContact CG-CD2 3.4Å; R47-L82 VanDerWaalsContact CG-CD2 3.4Å; Y64-L82 HydrophobicContact CD1-CD1 4.4Å; Y64-L82 HydrophobicContact CE1-CD1 4.03Å; Y64-L82 HydrophobicContact CE1-CD2 4.45Å; L67-L82 HydrophobicContact CD1-CD1 4.22Å; L67-L82 HydrophobicContact CD2-CD1 4.48Å; P79-L82 HydrophobicContact CB-CB 4.22Å; P79-L82 HydrophobicContact CB-CD1 3.95Å; P79-L82 HydrophobicContact CB-CG 4.15Å; P79-L82 HydrophobicContact CG-CD1 4.39Å; P79-L82 PolarHBondContact O-N 2.76Å; Y80-L82 PolarHBondContact O-N 2.98Å; L82-D84 PolarHBondContact O-N 2.98Å; L82-D84 VanDerWaalsContact O-N 3.16Å; L82-I85 PolarHBondContact O-N 3.19Å; L82-M86 HydrophobicContact CB-CE 3.92Å; L82-M86 HydrophobicContact CB-CG 4.13Å; L82-M86 HydrophobicContact CD1-CE 3.75Å; L82-M86 HydrophobicContact CG-CE 4.5Å; L82-M86 WeakPolarHBondContact O-CG 3.49Å; L82-M86 PolarHBondContact O-N 2.85Å
83S87.3Confident87.3Confident6 Ų636 Ų364%0.04219%0.185CC..Hα-helixtrans-57.4-32-176.5-63.40000113.2Y80 I85 V87Y80-S83 WeakPolarHBondContact CA-OG 3.34Å; Y80-S83 VanDerWaalsContact O-CB 3.29Å; Y80-S83 WeakPolarHBondContact O-CB 3.41Å; Y80-S83 PolarHBondContact O-N 3.47Å; Y80-S83 PolarHBondContact O-OG 3.37Å; S83-I85 PolarHBondContact O-N 2.89Å; S83-V87 VanDerWaalsContact O-CB 3.26Å; S83-V87 WeakPolarHBondContact O-CB 3.37Å; S83-V87 WeakPolarHBondContact O-CG2 3.33Å; S83-V87 PolarHBondContact O-N 3.21Å
84D85.2Confident87.3Confident59 Ų5932 Ų3232%0.31616%0.164SC..Hα-helixtrans-60.4-32.3174.664.7-42.9000112.5L82 K88 Y222L82-D84 PolarHBondContact O-N 2.98Å; L82-D84 VanDerWaalsContact O-N 3.16Å; D84-K88 WeakPolarHBondContact O-CB 3.27Å; D84-K88 WeakPolarHBondContact O-CD 3.35Å; D84-K88 WeakPolarHBondContact O-CG 3.44Å; D84-Y222 WeakPolarHBondContact CA-OH 3.49Å
85I86.6Confident87.4Confident34 Ų3428.9 Ų28.917%0.17415%0.149CC..Hα-helixtrans-92.2-41.6178.7-57.1174.7000110.9Y64 L82 S83 G89 L90Y64-I85 HydrophobicContact CD1-CG2 4.39Å; Y64-I85 HydrophobicContact CD2-CG2 3.55Å; Y64-I85 HydrophobicContact CE1-CD1 4.13Å; Y64-I85 HydrophobicContact CE1-CG2 4.45Å; Y64-I85 HydrophobicContact CE2-CD1 3.77Å; Y64-I85 HydrophobicContact CE2-CG2 3.66Å; Y64-I85 HydrophobicContact CG-CG2 3.94Å; Y64-I85 VanDerWaalsContact CZ-CD1 3.42Å; Y64-I85 WeakPolarHBondContact OH-CD1 3.19Å; L82-I85 PolarHBondContact O-N 3.19Å; S83-I85 PolarHBondContact O-N 2.89Å; I85-G89 WeakPolarHBondContact O-CA 3.41Å; I85-G89 PolarHBondContact O-N 2.98Å; I85-L90 PolarHBondContact O-N 3.16Å
86M86.6Confident87.4Confident0 Ų030.3 Ų30.30%016%0.161CC..Hα-helixtrans-68.6-45-176.9-61.6-54.4161.500111.8Y64 L67 L68 Y78 P79 L82 L90 R91 V92Y64-M86 HydrophobicContact CD1-CE 3.49Å; Y64-M86 VanDerWaalsContact CD1-CE 3.49Å; Y64-M86 HydrophobicContact CE1-CE 4.26Å; Y64-M86 HydrophobicContact CG-CE 4.08Å; L67-M86 HydrophobicContact CD2-CE 4.3Å; L68-M86 HydrophobicContact CD1-SD 3.56Å; L68-M86 VanDerWaalsContact CD1-SD 3.56Å; L68-M86 HydrophobicContact CD2-CE 4.31Å; L68-M86 HydrophobicContact CD2-SD 3.79Å; L68-M86 HydrophobicContact CG-CE 4.2Å; L68-M86 HydrophobicContact CG-SD 3.62Å; Y78-M86 WeakPolarHBondContact OH-CB 3.25Å; P79-M86 HydrophobicContact CG-CE 4.36Å; P79-M86 HydrophobicContact CG-CG 4.41Å; L82-M86 HydrophobicContact CB-CE 3.92Å; L82-M86 HydrophobicContact CB-CG 4.13Å; L82-M86 HydrophobicContact CD1-CE 3.75Å; L82-M86 HydrophobicContact CG-CE 4.5Å; L82-M86 WeakPolarHBondContact O-CG 3.49Å; L82-M86 PolarHBondContact O-N 2.85Å; M86-L90 CarbonylContact O-C 3.59Å; M86-L90 WeakPolarHBondContact O-CA 3.19Å; M86-L90 WeakPolarHBondContact O-CB 3.43Å; M86-L90 PolarHBondContact O-N 2.84Å; M86-L90 HydrophobicContact SD-CD1 3.88Å; M86-R91 PolarHBondContact O-N 2.79Å; M86-V92 PolarHBondContact O-N 2.66Å; M86-V92 VanDerWaalsContact O-N 3.07Å
87V84.4Confident87.5Confident5 Ų530.6 Ų30.63%0.0316%0.162CC..Hα-helixtrans-82.5-42.7-177.1-175.20000111.3S83 R91 Y222S83-V87 VanDerWaalsContact O-CB 3.26Å; S83-V87 WeakPolarHBondContact O-CB 3.37Å; S83-V87 WeakPolarHBondContact O-CG2 3.33Å; S83-V87 PolarHBondContact O-N 3.21Å; V87-R91 WeakPolarHBondContact O-CA 3.44Å; V87-Y222 HydrophobicContact CB-CD1 3.88Å; V87-Y222 HydrophobicContact CB-CE1 4.49Å; V87-Y222 HydrophobicContact CB-CG 4.44Å; V87-Y222 HydrophobicContact CG1-CD1 3.92Å; V87-Y222 HydrophobicContact CG2-CD1 4.34Å; V87-Y222 HydrophobicContact CG2-CG 4.41Å
88K82.2Confident87.7Confident79 Ų7930.3 Ų30.334%0.34316%0.16SC..Hα-helixtrans-80.5-35.6178.8-56.9173.7164.6161.40113.4D84 T174 F176 Y222D84-K88 WeakPolarHBondContact O-CB 3.27Å; D84-K88 WeakPolarHBondContact O-CD 3.35Å; D84-K88 WeakPolarHBondContact O-CG 3.44Å; K88-T174 WeakPolarHBondContact CE-O 3.4Å; K88-F176 WeakPolarHBondContact O-CD2 3.47Å; K88-Y222 HydrophobicContact CD-CE1 4.26Å; K88-Y222 VanDerWaalsContact CE-OH 3.26Å; K88-Y222 WeakPolarHBondContact CE-OH 3.39Å; K88-Y222 HydrophobicContact CG-CE1 3.99Å; K88-Y222 PolarHBondContact NZ-OH 3.38Å
89G81.4Confident87.7Confident43 Ų4331 Ų3144%0.44316%0.164SC..Hα-helixtrans-92-44.5-17400000114I85I85-G89 WeakPolarHBondContact O-CA 3.41Å; I85-G89 PolarHBondContact O-N 2.98Å
90L83.3Confident87.8Confident27 Ų2731.2 Ų31.214%0.14117%0.166CC..SBendtrans-105.5-9.4-175.6-60.8-179.4000114.1R61 E65 L68 I85 M86 V92R61-L90 HydrophobicContact CG-CD2 3.75Å; E65-L90 HydrophobicContact CG-CD1 4.25Å; E65-L90 HydrophobicContact CG-CD2 3.83Å; L68-L90 HydrophobicContact CD1-CD1 3.72Å; I85-L90 PolarHBondContact O-N 3.16Å; M86-L90 CarbonylContact O-C 3.59Å; M86-L90 WeakPolarHBondContact O-CA 3.19Å; M86-L90 WeakPolarHBondContact O-CB 3.43Å; M86-L90 PolarHBondContact O-N 2.84Å; M86-L90 HydrophobicContact SD-CD1 3.88Å; L90-V92 HydrophobicContact CB-CG2 4.05Å; L90-V92 PolarHBondContact O-N 3.33Å
91R85.4Confident87.9Confident141 Ų14130.4 Ų30.453%0.53216%0.163SC..  trans56.529.8-174.7-156.3-175.6-178173.65.3113M86 V87 D181M86-R91 PolarHBondContact O-N 2.79Å; V87-R91 WeakPolarHBondContact O-CA 3.44Å; R91-D181 IonicContact NH2-OD1 3.72Å; R91-D181 PolarHBondContact NH2-OD1 3.06Å; R91-D181 IonicContact NH2-OD2 3.76Å; R91-D181 PolarHBondContact NH2-OD2 2.93Å
92V87.1Confident88Confident36 Ų3628.3 Ų28.322%0.21815%0.153CC..  trans-96.7118.7175.8179.70000108.3L68 Y78 M86 L90L68-V92 HydrophobicContact CD1-CB 4.25Å; L68-V92 HydrophobicContact CD1-CG1 4.3Å; L68-V92 HydrophobicContact CD1-CG2 4.08Å; Y78-V92 PolarHBondContact OH-O 2.92Å; M86-V92 PolarHBondContact O-N 2.66Å; M86-V92 VanDerWaalsContact O-N 3.07Å; L90-V92 HydrophobicContact CB-CG2 4.05Å; L90-V92 PolarHBondContact O-N 3.33Å
93T88.9Confident88.1Confident35 Ų3530.2 Ų30.222%0.21516%0.162CC..  trans-92.7156.2174.6660000110.5F95 S96 Y97T93-F95 PolarHBondContact O-N 3.2Å; T93-S96 PolarHBondContact N-OG 3.28Å; T93-S96 PolarHBondContact O-N 3.27Å; T93-S96 PolarHBondContact O-OG 3.19Å; T93-S96 PolarHBondContact OG1-N 2.94Å; T93-S96 PolarHBondContact OG1-OG 3.18Å; T93-Y97 PolarHBondContact O-N 2.95Å
94P89.8Confident88.2Confident11 Ų1132.6 Ų32.67%0.07117%0.174CC..Hα-helixtrans-52.9-41.7174.2-23.930.5000112.5Y78 Y80 S96 Y97 Y98 L126Y78-P94 HydrophobicContact CD1-CB 4.12Å; Y78-P94 HydrophobicContact CD1-CG 3.89Å; Y78-P94 HydrophobicContact CD2-CB 4.49Å; Y78-P94 HydrophobicContact CE1-CB 4.33Å; Y78-P94 HydrophobicContact CE1-CG 3.65Å; Y78-P94 HydrophobicContact CE2-CG 4.5Å; Y78-P94 HydrophobicContact CG-CB 4.2Å; Y78-P94 HydrophobicContact CG-CG 4.41Å; Y80-P94 HydrophobicContact CE1-CB 4.35Å; Y80-P94 HydrophobicContact CE1-CG 3.85Å; P94-S96 PolarHBondContact O-N 3.48Å; P94-Y97 WeakPolarHBondContact O-CB 3.39Å; P94-Y97 PolarHBondContact O-N 3.11Å; P94-Y98 HydrophobicContact CB-CE2 4.39Å; P94-Y98 WeakPolarHBondContact O-CD2 2.88Å; P94-Y98 PolarHBondContact O-N 3.05Å; P94-L126 HydrophobicContact CB-CD1 3.8Å
95F90.3Very high88.5Confident34 Ų3429.9 Ų29.915%0.14916%0.16CC..Hα-helixtrans-58.2-50175.7179.5-103.5000112.1T93 Y97 Y98 I99 L127 P158 P161T93-F95 PolarHBondContact O-N 3.2Å; F95-Y97 VanDerWaalsContact C-N 3.26Å; F95-Y97 PolarHBondContact O-N 3.02Å; F95-Y98 PolarHBondContact O-N 3.01Å; F95-I99 HydrophobicContact CD1-CG1 4.34Å; F95-I99 HydrophobicContact CD2-CG1 4.46Å; F95-I99 HydrophobicContact CE1-CG1 4Å; F95-I99 HydrophobicContact CE2-CD1 4.23Å; F95-I99 HydrophobicContact CE2-CG1 4.12Å; F95-I99 HydrophobicContact CZ-CD1 4.01Å; F95-I99 HydrophobicContact CZ-CG1 3.89Å; F95-I99 WeakPolarHBondContact O-CB 3.41Å; F95-I99 VanDerWaalsContact O-CG1 3.27Å; F95-I99 WeakPolarHBondContact O-CG1 3.3Å; F95-I99 PolarHBondContact O-N 3.18Å; F95-L127 HydrophobicContact CD2-CD2 3.53Å; F95-L127 HydrophobicContact CE2-CD2 3.46Å; F95-L127 VanDerWaalsContact CE2-CD2 3.46Å; F95-L127 HydrophobicContact CZ-CD2 4.46Å; F95-P158 WeakPolarHBondContact CZ-O 3.4Å; F95-P161 HydrophobicContact CB-CB 4.47Å; F95-P161 HydrophobicContact CD2-CB 3.61Å; F95-P161 HydrophobicContact CD2-CG 4.43Å; F95-P161 VanDerWaalsContact CE2-CA 3.45Å; F95-P161 HydrophobicContact CE2-CB 4.02Å; F95-P161 HydrophobicContact CG-CB 4.08Å
96S90.5Very high88.5Confident52 Ų5228.5 Ų28.536%0.36415%0.152SC..Hα-helixtrans-63.5-32.9178.868.80000113.2T93 P94 G100T93-S96 PolarHBondContact N-OG 3.28Å; T93-S96 PolarHBondContact O-N 3.27Å; T93-S96 PolarHBondContact O-OG 3.19Å; T93-S96 PolarHBondContact OG1-N 2.94Å; T93-S96 PolarHBondContact OG1-OG 3.18Å; P94-S96 PolarHBondContact O-N 3.48Å; S96-G100 PolarHBondContact O-N 3.36Å
97Y92.4Very high88.6Confident11 Ų1132.9 Ų32.94%0.04318%0.176CC..Hα-helixtrans-67-50.7177.3174.9-99.7000111.5L68 S71 R72 M76 Y78 T93 P94 F95 G100 I101L68-Y97 HydrophobicContact CD2-CD2 4.32Å; L68-Y97 HydrophobicContact CD2-CE2 4.29Å; S71-Y97 VanDerWaalsContact CB-OH 3.3Å; S71-Y97 WeakPolarHBondContact CB-OH 3.47Å; S71-Y97 PolarHBondContact O-OH 3.12Å; R72-Y97 HydrophobicContact CB-CE2 4.11Å; R72-Y97 PolarHBondContact N-OH 3.05Å; M76-Y97 PolarHBondContact O-OH 3.44Å; Y78-Y97 AromaticContact CD2-CD1 3.77Å; Y78-Y97 HydrophobicContact CD2-CD1 3.77Å; Y78-Y97 HydrophobicContact CD2-CD2 4.3Å; Y78-Y97 HydrophobicContact CD2-CE1 4.41Å; Y78-Y97 AromaticContact CD2-CG 3.69Å; Y78-Y97 HydrophobicContact CD2-CG 3.69Å; Y78-Y97 HydrophobicContact CE2-CG 4.44Å; Y78-Y97 HydrophobicContact CG-CD1 4.31Å; T93-Y97 PolarHBondContact O-N 2.95Å; P94-Y97 WeakPolarHBondContact O-CB 3.39Å; P94-Y97 PolarHBondContact O-N 3.11Å; F95-Y97 VanDerWaalsContact C-N 3.26Å; F95-Y97 PolarHBondContact O-N 3.02Å; Y97-G100 WeakPolarHBondContact O-CA 3.26Å; Y97-G100 PolarHBondContact O-N 2.81Å; Y97-G100 VanDerWaalsContact O-N 3.11Å; Y97-I101 HydrophobicContact CD1-CD1 4.02Å; Y97-I101 HydrophobicContact CE1-CD1 3.36Å; Y97-I101 HydrophobicContact CE1-CG1 4.39Å; Y97-I101 HydrophobicContact CE2-CD1 4.45Å; Y97-I101 PolarHBondContact O-N 3.38Å
98Y93.2Very high88.8Confident0 Ų035.6 Ų35.60%020%0.195CC..Hα-helixtrans-70.7-31.8-179.6-66.5-57.6000113.5L77 Y78 P94 F95 G100 I101 M102 T119 D122 C123 L126L77-Y98 WeakPolarHBondContact CD1-OH 3.44Å; Y78-Y98 VanDerWaalsContact CB-OH 3.32Å; Y78-Y98 WeakPolarHBondContact CB-OH 3.15Å; Y78-Y98 PolarHBondContact N-OH 2.83Å; P94-Y98 HydrophobicContact CB-CE2 4.39Å; P94-Y98 WeakPolarHBondContact O-CD2 2.88Å; P94-Y98 PolarHBondContact O-N 3.05Å; F95-Y98 PolarHBondContact O-N 3.01Å; Y98-G100 VanDerWaalsContact C-N 3.26Å; Y98-G100 PolarHBondContact O-N 2.82Å; Y98-I101 HydrophobicContact CD1-CD1 4.12Å; Y98-I101 HydrophobicContact CE1-CD1 4.47Å; Y98-I101 PolarHBondContact O-N 3.32Å; Y98-M102 WeakPolarHBondContact O-CB 3.33Å; Y98-M102 PolarHBondContact O-N 3.06Å; Y98-T119 HydrophobicContact CD1-CG2 4.48Å; Y98-T119 HydrophobicContact CE1-CG2 3.99Å; Y98-D122 HydrophobicContact CE2-CB 4.13Å; Y98-D122 WeakPolarHBondContact CE2-OD2 3.48Å; Y98-D122 PolarHBondContact OH-OD2 3.4Å; Y98-C123 WeakPolarHBondContact CD1-SG 3.48Å; Y98-L126 HydrophobicContact CD2-CD1 3.6Å; Y98-L126 HydrophobicContact CE2-CD1 3.62Å
99I92.1Very high88.9Confident18 Ų1836.6 Ų36.69%0.09220%0.201CC..Hα-helixtrans-58.4-42.8168.5-71.8-71000110.4F95 M102 E103 L127 L157 P158F95-I99 HydrophobicContact CD1-CG1 4.34Å; F95-I99 HydrophobicContact CD2-CG1 4.46Å; F95-I99 HydrophobicContact CE1-CG1 4Å; F95-I99 HydrophobicContact CE2-CD1 4.23Å; F95-I99 HydrophobicContact CE2-CG1 4.12Å; F95-I99 HydrophobicContact CZ-CD1 4.01Å; F95-I99 HydrophobicContact CZ-CG1 3.89Å; F95-I99 WeakPolarHBondContact O-CB 3.41Å; F95-I99 VanDerWaalsContact O-CG1 3.27Å; F95-I99 WeakPolarHBondContact O-CG1 3.3Å; F95-I99 PolarHBondContact O-N 3.18Å; I99-M102 PolarHBondContact O-N 3.07Å; I99-E103 VanDerWaalsContact O-CB 3.32Å; I99-E103 WeakPolarHBondContact O-CB 3.47Å; I99-E103 PolarHBondContact O-N 3.33Å; I99-L127 HydrophobicContact CD1-CD1 4.46Å; I99-L127 HydrophobicContact CD1-CD2 3.7Å; I99-L127 HydrophobicContact CG1-CD2 3.83Å; I99-L157 HydrophobicContact CD1-CB 3.91Å; I99-L157 HydrophobicContact CD1-CD1 4.45Å; I99-L157 HydrophobicContact CG2-CD1 4.21Å; I99-P158 HydrophobicContact CD1-CG 4.08Å; I99-P158 WeakPolarHBondContact CD1-O 3.48Å
100G91.1Very high89.2Confident4 Ų439.6 Ų39.64%0.04120%0.202CC..Hα-helixtrans-61.9-44.9175.500000112.9R72 S96 Y97 Y98 E103 D104R72-G100 VanDerWaalsContact CZ-C 3.46Å; R72-G100 VanDerWaalsContact CZ-CA 3.44Å; R72-G100 PolarHBondContact NE-O 2.98Å; R72-G100 PolarHBondContact NH2-O 3.1Å; S96-G100 PolarHBondContact O-N 3.36Å; Y97-G100 WeakPolarHBondContact O-CA 3.26Å; Y97-G100 PolarHBondContact O-N 2.81Å; Y97-G100 VanDerWaalsContact O-N 3.11Å; Y98-G100 VanDerWaalsContact C-N 3.26Å; Y98-G100 PolarHBondContact O-N 2.82Å; G100-E103 PolarHBondContact O-N 2.94Å; G100-D104 VanDerWaalsContact O-CG 3.31Å; G100-D104 PolarHBondContact O-N 2.85Å; G100-D104 VanDerWaalsContact O-N 3.08Å
101I91.3Very high89.4Confident0 Ų041.6 Ų41.60%022%0.218CC..Hα-helixtrans-58.9-48.9174.4-74.6176.6000110.8R72 L75 Y97 Y98 E103 D104 I105 L115R72-I101 HydrophobicContact CB-CG1 4.42Å; R72-I101 HydrophobicContact CG-CG1 3.89Å; L75-I101 HydrophobicContact CD2-CG2 3.71Å; Y97-I101 HydrophobicContact CD1-CD1 4.02Å; Y97-I101 HydrophobicContact CE1-CD1 3.36Å; Y97-I101 HydrophobicContact CE1-CG1 4.39Å; Y97-I101 HydrophobicContact CE2-CD1 4.45Å; Y97-I101 PolarHBondContact O-N 3.38Å; Y98-I101 HydrophobicContact CD1-CD1 4.12Å; Y98-I101 HydrophobicContact CE1-CD1 4.47Å; Y98-I101 PolarHBondContact O-N 3.32Å; I101-E103 VanDerWaalsContact C-N 3.32Å; I101-E103 PolarHBondContact O-N 3.3Å; I101-D104 PolarHBondContact O-N 3.15Å; I101-D104 VanDerWaalsContact O-N 3.15Å; I101-I105 HydrophobicContact CG2-CD1 3.69Å; I101-I105 HydrophobicContact CG2-CG1 4.3Å; I101-I105 WeakPolarHBondContact O-CG1 3.43Å; I101-I105 PolarHBondContact O-N 3.16Å; I101-L115 HydrophobicContact CG2-CD2 3.91Å
102M90.7Very high89.5Confident0 Ų035 Ų350%019%0.193CC..Hα-helixtrans-64.3-39.4-177.3-160.662.470.600111.7Y98 I99 D104 I105 M106 Y112 L115 C123 L127 I129 Y134 L157Y98-M102 WeakPolarHBondContact O-CB 3.33Å; Y98-M102 PolarHBondContact O-N 3.06Å; I99-M102 PolarHBondContact O-N 3.07Å; M102-D104 VanDerWaalsContact C-N 3.34Å; M102-D104 PolarHBondContact O-N 3.04Å; M102-I105 PolarHBondContact O-N 3.07Å; M102-M106 HydrophobicContact CG-SD 4.42Å; M102-M106 WeakPolarHBondContact O-CB 3.25Å; M102-M106 VanDerWaalsContact O-CG 3.25Å; M102-M106 WeakPolarHBondContact O-CG 3.38Å; M102-M106 PolarHBondContact O-N 3.18Å; M102-Y112 HydrophobicContact CE-CD2 4.49Å; M102-Y112 HydrophobicContact CE-CE2 3.99Å; M102-L115 HydrophobicContact CE-CD1 4.32Å; M102-C123 HydrophobicContact CE-CB 4.43Å; M102-L127 HydrophobicContact CB-CD1 4.45Å; M102-L127 HydrophobicContact CE-CD1 4.26Å; M102-I129 HydrophobicContact CE-CB 4.47Å; M102-I129 HydrophobicContact CE-CG2 4.23Å; M102-I129 HydrophobicContact CG-CD1 4.3Å; M102-Y134 HydrophobicContact SD-CD2 3.46Å; M102-Y134 WeakPolarHBondContact SD-CD2 3.38Å; M102-Y134 HydrophobicContact SD-CE2 3.63Å; M102-L157 HydrophobicContact CB-CD1 4.12Å; M102-L157 HydrophobicContact CB-CD2 3.99Å; M102-L157 HydrophobicContact CG-CD1 4.42Å; M102-L157 HydrophobicContact CG-CD2 3.5Å; M102-L157 VanDerWaalsContact CG-CD2 3.5Å
103E90.6Very high89.4Confident39 Ų3935.5 Ų35.518%0.18220%0.195CC..Hα-helixtrans-58.4-44.2173.3-180172.1-157.500111.4I99 G100 I101 N107 A153 L157I99-E103 VanDerWaalsContact O-CB 3.32Å; I99-E103 WeakPolarHBondContact O-CB 3.47Å; I99-E103 PolarHBondContact O-N 3.33Å; G100-E103 PolarHBondContact O-N 2.94Å; I101-E103 VanDerWaalsContact C-N 3.32Å; I101-E103 PolarHBondContact O-N 3.3Å; E103-N107 WeakPolarHBondContact CG-ND2 3.43Å; E103-N107 VanDerWaalsContact O-CB 3.23Å; E103-N107 WeakPolarHBondContact O-CB 3.38Å; E103-N107 PolarHBondContact O-N 3.06Å; E103-N107 PolarHBondContact O-ND2 3.49Å; E103-A153 HydrophobicContact CG-CB 4.41Å; E103-L157 HydrophobicContact CB-CD1 4.11Å
104D89.9Confident89.3Confident56 Ų5635.3 Ų35.330%0.29919%0.194SC..Hα-helixtrans-68.5-41179.4-66.8-14.3000112.7R72 G100 I101 M102 N107 S108R72-D104 IonicContact CZ-OD1 3.17Å; R72-D104 IonicContact CZ-OD2 3.84Å; R72-D104 IonicContact NE-OD1 2.69Å; R72-D104 IonicContact NE-OD2 2.84Å; R72-D104 PolarHBondContact NE-OD2 3.41Å; R72-D104 IonicContact NH2-OD1 3.91Å; R72-D104 PolarHBondContact NH2-OD1 3.27Å; R72-D104 IonicContact NH2-OD2 3.82Å; R72-D104 PolarHBondContact NH2-OD2 3.36Å; G100-D104 VanDerWaalsContact O-CG 3.31Å; G100-D104 PolarHBondContact O-N 2.85Å; G100-D104 VanDerWaalsContact O-N 3.08Å; I101-D104 PolarHBondContact O-N 3.15Å; I101-D104 VanDerWaalsContact O-N 3.15Å; M102-D104 VanDerWaalsContact C-N 3.34Å; M102-D104 PolarHBondContact O-N 3.04Å; D104-N107 PolarHBondContact O-N 2.78Å; D104-S108 VanDerWaalsContact O-CB 3.28Å; D104-S108 WeakPolarHBondContact O-CB 3.21Å; D104-S108 PolarHBondContact O-N 3Å; D104-S108 PolarHBondContact O-OG 3.37Å
105I89.9Confident89.2Confident3 Ų334.8 Ų34.82%0.01519%0.191CC..Hα-helixtrans-64.6-45.1177.5-64173.9000110L75 I101 M102 S108 E109 K110 L115 Y134L75-I105 HydrophobicContact CD1-CD1 4.27Å; L75-I105 HydrophobicContact CD2-CD1 3.85Å; L75-I105 HydrophobicContact CD2-CG1 3.97Å; I101-I105 HydrophobicContact CG2-CD1 3.69Å; I101-I105 HydrophobicContact CG2-CG1 4.3Å; I101-I105 WeakPolarHBondContact O-CG1 3.43Å; I101-I105 PolarHBondContact O-N 3.16Å; M102-I105 PolarHBondContact O-N 3.07Å; I105-S108 WeakPolarHBondContact CA-OG 3.41Å; I105-S108 CarbonylContact O-C 3.54Å; I105-S108 PolarHBondContact O-N 3.37Å; I105-S108 PolarHBondContact O-OG 3.46Å; I105-E109 PolarHBondContact O-N 3.13Å; I105-K110 HydrophobicContact CG2-CB 3.76Å; I105-K110 PolarHBondContact O-N 2.92Å; I105-L115 HydrophobicContact CD1-CD1 4.13Å; I105-L115 HydrophobicContact CD1-CD2 3.4Å; I105-L115 VanDerWaalsContact CD1-CD2 3.4Å; I105-L115 HydrophobicContact CD1-CG 3.67Å; I105-Y134 HydrophobicContact CG2-CE2 4.16Å; I105-Y134 VanDerWaalsContact CG2-OH 3.26Å; I105-Y134 WeakPolarHBondContact CG2-OH 3.14Å
106M87.9Confident89.2Confident4 Ų433.5 Ų33.52%0.0219%0.186CC..Hα-helixtrans-63.9-43.3176.7-70.7-177.478.300111.8M102 S108 E109 Y134 L137 M138 C141 A153 L156 L157M102-M106 HydrophobicContact CG-SD 4.42Å; M102-M106 WeakPolarHBondContact O-CB 3.25Å; M102-M106 VanDerWaalsContact O-CG 3.25Å; M102-M106 WeakPolarHBondContact O-CG 3.38Å; M102-M106 PolarHBondContact O-N 3.18Å; M106-S108 VanDerWaalsContact C-N 3.31Å; M106-S108 PolarHBondContact O-N 3.48Å; M106-E109 PolarHBondContact O-N 3.15Å; M106-Y134 HydrophobicContact CG-CD2 4.39Å; M106-Y134 HydrophobicContact CG-CE2 3.51Å; M106-L137 HydrophobicContact CE-CB 4.06Å; M106-M138 HydrophobicContact CB-SD 4.35Å; M106-M138 HydrophobicContact CG-SD 4.46Å; M106-C141 HydrophobicContact CE-CB 4.19Å; M106-A153 HydrophobicContact CB-CB 3.91Å; M106-A153 HydrophobicContact CE-CB 4.43Å; M106-A153 HydrophobicContact SD-CB 4.16Å; M106-L156 HydrophobicContact CE-CD1 4.44Å; M106-L157 HydrophobicContact SD-CD2 3.98Å; M106-L157 HydrophobicContact SD-CG 4.31Å
107N88.3Confident89Confident92 Ų9231.4 Ų31.449%0.49217%0.171SC..Hα-helixtrans-67.8-31178.9-75.1-30.4000112.7E103 D104 E109E103-N107 WeakPolarHBondContact CG-ND2 3.43Å; E103-N107 VanDerWaalsContact O-CB 3.23Å; E103-N107 WeakPolarHBondContact O-CB 3.38Å; E103-N107 PolarHBondContact O-N 3.06Å; E103-N107 PolarHBondContact O-ND2 3.49Å; D104-N107 PolarHBondContact O-N 2.78Å; N107-E109 VanDerWaalsContact C-N 3.33Å
108S87.9Confident88.8Confident62 Ų6231 Ų3143%0.43417%0.169SC..THydrogen-bonded Turntrans-88.12174.959.90000114D104 I105 M106 K110D104-S108 VanDerWaalsContact O-CB 3.28Å; D104-S108 WeakPolarHBondContact O-CB 3.21Å; D104-S108 PolarHBondContact O-N 3Å; D104-S108 PolarHBondContact O-OG 3.37Å; I105-S108 WeakPolarHBondContact CA-OG 3.41Å; I105-S108 CarbonylContact O-C 3.54Å; I105-S108 PolarHBondContact O-N 3.37Å; I105-S108 PolarHBondContact O-OG 3.46Å; M106-S108 VanDerWaalsContact C-N 3.31Å; M106-S108 PolarHBondContact O-N 3.48Å; S108-K110 PolarHBondContact O-N 2.91Å; S108-K110 WeakPolarHBondContact OG-CG 3.32Å
109E85.5Confident88.7Confident101 Ų10131 Ų3147%0.47217%0.169SC..THydrogen-bonded Turntrans52.330.6-177.7-49.8-158.4177.700114.5I105 M106 N107 M138 R142I105-E109 PolarHBondContact O-N 3.13Å; M106-E109 PolarHBondContact O-N 3.15Å; N107-E109 VanDerWaalsContact C-N 3.33Å; E109-M138 HydrophobicContact CB-CE 3.98Å; E109-M138 HydrophobicContact CG-CE 3.67Å; E109-R142 IonicContact OE2-CZ 3.73Å; E109-R142 IonicContact OE2-NE 3.28Å; E109-R142 IonicContact OE2-NH2 3.93Å; E109-R142 PolarHBondContact OE2-NH2 3.03Å
110K87Confident88.5Confident106 Ų10630.1 Ų30.146%0.46117%0.165SC..  trans-75.4154.3176.6-71.4179.1-176.8-179.80111.1I105 S108 Y134I105-K110 HydrophobicContact CG2-CB 3.76Å; I105-K110 PolarHBondContact O-N 2.92Å; S108-K110 PolarHBondContact O-N 2.91Å; S108-K110 WeakPolarHBondContact OG-CG 3.32Å; K110-Y134 PolarHBondContact O-OH 2.87Å
111S87.1Confident88.4Confident68 Ų6830.4 Ų30.448%0.47617%0.167SC..  trans-72.2150.9173.158.30000111.1D113 S114S111-D113 PolarHBondContact O-N 3.26Å; S111-S114 WeakPolarHBondContact O-CB 3.37Å; S111-S114 PolarHBondContact O-N 3.3Å; S111-S114 VanDerWaalsContact O-N 3.12Å; S111-S114 PolarHBondContact O-OG 3.13Å
112Y87.5Confident88.3Confident4 Ų430.4 Ų30.42%0.01617%0.167CC..G310 helixtrans-58-33170.8-169.6-91.4000111.8M102 S114 L115 A120 I129 R131 Y134 V242 N244M102-Y112 HydrophobicContact CE-CD2 4.49Å; M102-Y112 HydrophobicContact CE-CE2 3.99Å; Y112-S114 PolarHBondContact O-N 3.06Å; Y112-L115 HydrophobicContact CD2-CD1 3.87Å; Y112-L115 HydrophobicContact CE1-CD1 4.39Å; Y112-L115 HydrophobicContact CE2-CD1 3.63Å; Y112-L115 HydrophobicContact CG-CD1 4.36Å; Y112-L115 WeakPolarHBondContact O-CB 3.43Å; Y112-L115 PolarHBondContact O-N 3.3Å; Y112-A120 HydrophobicContact CE1-CB 3.99Å; Y112-A120 PolarHBondContact OH-O 3.21Å; Y112-I129 PolarHBondContact OH-O 3.44Å; Y112-R131 HydrophobicContact CD1-CB 3.93Å; Y112-R131 HydrophobicContact CD1-CG 4.31Å; Y112-R131 HydrophobicContact CE1-CB 4.39Å; Y112-R131 HydrophobicContact CG-CB 4.42Å; Y112-Y134 HydrophobicContact CD2-CD1 4.3Å; Y112-Y134 HydrophobicContact CD2-CD2 4.08Å; Y112-Y134 AromaticContact CD2-CG 3.73Å; Y112-Y134 HydrophobicContact CD2-CG 3.73Å; Y112-Y134 HydrophobicContact CG-CD1 4.47Å; Y112-Y134 HydrophobicContact CG-CG 4.31Å; Y112-V242 HydrophobicContact CE1-CG1 4.05Å; Y112-N244 PolarHBondContact O-ND2 3Å
113D85.8Confident88.2Confident46 Ų4630.4 Ų30.425%0.24617%0.167CC..G310 helixtrans-62.7-8.2178.6-54.4-7.6000113.2S111 R131 V246S111-D113 PolarHBondContact O-N 3.26Å; D113-R131 WeakPolarHBondContact OD1-CD 3.49Å; D113-R131 IonicContact OD1-CZ 2.71Å; D113-R131 IonicContact OD1-NE 3.96Å; D113-R131 PolarHBondContact OD1-NE 3.04Å; D113-R131 IonicContact OD1-NH2 3.95Å; D113-R131 IonicContact OD2-CZ 2.97Å; D113-R131 IonicContact OD2-NE 3.4Å; D113-R131 IonicContact OD2-NH2 3.67Å; D113-R131 PolarHBondContact OD2-NH2 3.28Å; D113-V246 VanDerWaalsContact O-CG2 3.28Å; D113-V246 WeakPolarHBondContact O-CG2 3.42Å
114S86.9Confident88.1Confident30 Ų3031.1 Ų31.121%0.2117%0.172CC..G310 helixtrans-79.8-15.4172.167.70000114.2S111 Y112S111-S114 WeakPolarHBondContact O-CB 3.37Å; S111-S114 PolarHBondContact O-N 3.3Å; S111-S114 VanDerWaalsContact O-N 3.12Å; S111-S114 PolarHBondContact O-OG 3.13Å; Y112-S114 PolarHBondContact O-N 3.06Å
115L87.8Confident87.9Confident0 Ų031 Ų310%017%0.167CC..SBendtrans-72.4136175.2-74.6168.7000110.3L75 I101 M102 I105 Y112 T119 A120 N244L75-L115 HydrophobicContact CB-CD2 4.28Å; L75-L115 HydrophobicContact CD1-CD2 4.29Å; L75-L115 HydrophobicContact CD2-CD2 4.35Å; I101-L115 HydrophobicContact CG2-CD2 3.91Å; M102-L115 HydrophobicContact CE-CD1 4.32Å; I105-L115 HydrophobicContact CD1-CD1 4.13Å; I105-L115 HydrophobicContact CD1-CD2 3.4Å; I105-L115 VanDerWaalsContact CD1-CD2 3.4Å; I105-L115 HydrophobicContact CD1-CG 3.67Å; Y112-L115 HydrophobicContact CD2-CD1 3.87Å; Y112-L115 HydrophobicContact CE1-CD1 4.39Å; Y112-L115 HydrophobicContact CE2-CD1 3.63Å; Y112-L115 HydrophobicContact CG-CD1 4.36Å; Y112-L115 WeakPolarHBondContact O-CB 3.43Å; Y112-L115 PolarHBondContact O-N 3.3Å; L115-T119 HydrophobicContact CD2-CG2 4.01Å; L115-A120 HydrophobicContact CB-CB 4Å; L115-A120 HydrophobicContact CD1-CB 4.47Å; L115-N244 VanDerWaalsContact O-CB 3.24Å; L115-N244 WeakPolarHBondContact O-CB 3.46Å; L115-N244 PolarHBondContact O-ND2 3.36Å
116P89.1Confident87.8Confident8 Ų830.9 Ų30.95%0.05217%0.166CC..  trans-61.2156.7168.2-19.331.4000112.3L75 F118 T119 A120 E252L75-P116 HydrophobicContact CB-CG 4.45Å; L75-P116 WeakPolarHBondContact O-CD 3Å; L75-P116 WeakPolarHBondContact O-CG 3.05Å; P116-F118 PolarHBondContact O-N 3.21Å; P116-T119 PolarHBondContact O-N 3.28Å; P116-A120 WeakPolarHBondContact O-CB 3.49Å; P116-A120 PolarHBondContact O-N 2.93Å; P116-E252 WeakPolarHBondContact CB-OE2 3.47Å
117N87.4Confident87.8Confident8 Ų831 Ų314%0.04317%0.167CC..Hα-helixtrans-65.6-46.3-165.6-69.5-13.7000112.4A120 A121 F241 N244 E252 Y256N117-A120 PolarHBondContact O-N 2.9Å; N117-A121 WeakPolarHBondContact O-CB 3.42Å; N117-A121 PolarHBondContact O-N 2.97Å; N117-F241 HydrophobicContact CB-CE1 4.24Å; N117-F241 HydrophobicContact CB-CZ 4.14Å; N117-N244 PolarHBondContact ND2-O 3.12Å; N117-N244 VanDerWaalsContact OD1-CA 3.26Å; N117-N244 WeakPolarHBondContact OD1-CA 3.47Å; N117-N244 VanDerWaalsContact OD1-CB 3.26Å; N117-N244 WeakPolarHBondContact OD1-CB 3.42Å; N117-N244 PolarHBondContact OD1-N 2.98Å; N117-N244 PolarHBondContact OD1-O 3.14Å; N117-E252 WeakPolarHBondContact CB-OE1 3.42Å; N117-E252 PolarHBondContact N-OE1 2.92Å; N117-E252 PolarHBondContact N-OE2 2.84Å; N117-Y256 PolarHBondContact ND2-OH 2.95Å
118F88.3Confident87.7Confident1 Ų128.2 Ų28.20%0.00416%0.16CC..Hα-helixtrans-70.7-35179.3-63.4-78.5000112.3L77 P116 A120 A121 D122 F241 E252 L255 Y256 F259 Y289 L292 F294L77-F118 HydrophobicContact CD1-CB 4.35Å; L77-F118 WeakPolarHBondContact CD1-O 3.47Å; P116-F118 PolarHBondContact O-N 3.21Å; F118-A120 VanDerWaalsContact C-N 3.34Å; F118-A121 PolarHBondContact O-N 3.17Å; F118-D122 PolarHBondContact O-N 2.82Å; F118-F241 HydrophobicContact CE1-CE2 4.33Å; F118-E252 HydrophobicContact CD2-CB 4.33Å; F118-E252 HydrophobicContact CD2-CG 3.66Å; F118-E252 HydrophobicContact CE2-CG 3.91Å; F118-L255 HydrophobicContact CB-CD1 4.06Å; F118-L255 HydrophobicContact CD1-CD1 3.83Å; F118-L255 HydrophobicContact CD2-CB 4.23Å; F118-L255 HydrophobicContact CD2-CD1 3.51Å; F118-L255 HydrophobicContact CE1-CB 4.42Å; F118-L255 HydrophobicContact CE1-CD1 4.13Å; F118-L255 HydrophobicContact CE2-CB 3.66Å; F118-L255 HydrophobicContact CE2-CD1 3.82Å; F118-L255 HydrophobicContact CE2-CG 4.4Å; F118-L255 HydrophobicContact CG-CD1 3.51Å; F118-L255 HydrophobicContact CZ-CB 3.77Å; F118-L255 HydrophobicContact CZ-CD1 4.12Å; F118-Y256 AromaticContact CE2-CD2 3.98Å; F118-Y256 HydrophobicContact CE2-CD2 3.98Å; F118-Y256 AromaticContact CE2-CE2 3.67Å; F118-Y256 HydrophobicContact CE2-CE2 3.67Å; F118-Y256 HydrophobicContact CZ-CE2 4.43Å; F118-F259 HydrophobicContact CE1-CD2 4.36Å; F118-F259 AromaticContact CE1-CE2 3.52Å; F118-F259 HydrophobicContact CE1-CE2 3.52Å; F118-F259 HydrophobicContact CE1-CZ 4.04Å; F118-F259 AromaticContact CZ-CD2 3.91Å; F118-F259 HydrophobicContact CZ-CD2 3.91Å; F118-F259 AromaticContact CZ-CE2 3.49Å; F118-F259 HydrophobicContact CZ-CE2 3.49Å; F118-F259 VanDerWaalsContact CZ-CE2 3.49Å; F118-F259 HydrophobicContact CZ-CZ 4.41Å; F118-Y289 HydrophobicContact CE1-CD1 4.43Å; F118-Y289 AromaticContact CE1-CE1 3.71Å; F118-Y289 HydrophobicContact CE1-CE1 3.71Å; F118-Y289 HydrophobicContact CZ-CE1 4.16Å; F118-L292 HydrophobicContact CD1-CD1 3.9Å; F118-F294 HydrophobicContact CD1-CD2 4.46Å; F118-F294 AromaticContact CD1-CE2 3.97Å; F118-F294 HydrophobicContact CD1-CE2 3.97Å; F118-F294 HydrophobicContact CE1-CD2 4.23Å; F118-F294 HydrophobicContact CE1-CE2 4.03Å
119T89.7Confident87.6Confident0 Ų025.5 Ų25.50%014%0.141CC..Hα-helixtrans-62.2-44.9172.4-57.20000110.3L75 L77 Y98 L115 P116 D122 C123L75-T119 WeakPolarHBondContact O-CG2 3.33Å; L75-T119 PolarHBondContact O-OG1 3.44Å; L75-T119 VanDerWaalsContact O-OG1 3.04Å; L77-T119 PolarHBondContact N-OG1 3.32Å; Y98-T119 HydrophobicContact CD1-CG2 4.48Å; Y98-T119 HydrophobicContact CE1-CG2 3.99Å; L115-T119 HydrophobicContact CD2-CG2 4.01Å; P116-T119 PolarHBondContact O-N 3.28Å; T119-D122 PolarHBondContact O-N 2.85Å; T119-C123 WeakPolarHBondContact O-CB 3.48Å; T119-C123 PolarHBondContact O-N 3.43Å; T119-C123 PolarHBondContact O-SG 2.94Å; T119-C123 VanDerWaalsContact O-SG 3.33Å
120A89.1Confident87.6Confident0 Ų021 Ų210%012%0.122CC..Hα-helixtrans-66.4-38.6178.700000112.3Y112 L115 P116 N117 F118 C123 L124 V242Y112-A120 HydrophobicContact CE1-CB 3.99Å; Y112-A120 PolarHBondContact OH-O 3.21Å; L115-A120 HydrophobicContact CB-CB 4Å; L115-A120 HydrophobicContact CD1-CB 4.47Å; P116-A120 WeakPolarHBondContact O-CB 3.49Å; P116-A120 PolarHBondContact O-N 2.93Å; N117-A120 PolarHBondContact O-N 2.9Å; F118-A120 VanDerWaalsContact C-N 3.34Å; A120-C123 WeakPolarHBondContact O-CB 3.43Å; A120-C123 PolarHBondContact O-N 3.28Å; A120-L124 WeakPolarHBondContact O-CB 3.35Å; A120-L124 PolarHBondContact O-N 3.13Å; A120-V242 HydrophobicContact CB-CB 4.18Å; A120-V242 HydrophobicContact CB-CG1 3.61Å
121A87.9Confident87.5Confident11 Ų1121.4 Ų21.49%0.09112%0.12CC..Hα-helixtrans-61.9-42.4174.100000111.9N117 F118 L124 R125 F294N117-A121 WeakPolarHBondContact O-CB 3.42Å; N117-A121 PolarHBondContact O-N 2.97Å; F118-A121 PolarHBondContact O-N 3.17Å; A121-L124 PolarHBondContact O-N 3.12Å; A121-R125 WeakPolarHBondContact O-CB 3.24Å; A121-R125 PolarHBondContact O-N 2.85Å; A121-F294 HydrophobicContact CB-CE2 4.32Å; A121-F294 HydrophobicContact CB-CZ 3.87Å
122D89.4Confident87.5Confident0 Ų019.8 Ų19.80%011%0.106CC..Hα-helixtrans-72.9-35.6178.9-153.723.2000112.5L77 Y80 Y98 F118 T119 R125 L126 L292L77-D122 HydrophobicContact CD1-CB 4.02Å; Y80-D122 VanDerWaalsContact CE2-OD2 3.27Å; Y80-D122 WeakPolarHBondContact CE2-OD2 3.45Å; Y80-D122 PolarHBondContact OH-OD2 3Å; Y98-D122 HydrophobicContact CE2-CB 4.13Å; Y98-D122 WeakPolarHBondContact CE2-OD2 3.48Å; Y98-D122 PolarHBondContact OH-OD2 3.4Å; F118-D122 PolarHBondContact O-N 2.82Å; T119-D122 PolarHBondContact O-N 2.85Å; D122-R125 PolarHBondContact O-N 2.78Å; D122-R125 IonicContact OD1-CZ 3.83Å; D122-R125 IonicContact OD1-NE 3.1Å; D122-R125 PolarHBondContact OD1-NE 3.29Å; D122-R125 IonicContact OD1-NH2 3.02Å; D122-R125 PolarHBondContact OD1-NH2 2.83Å; D122-L126 WeakPolarHBondContact O-CB 3.4Å; D122-L126 PolarHBondContact O-N 3.14Å; D122-L292 HydrophobicContact CB-CD2 3.79Å
123C89.3Confident87.4Confident0 Ų023.6 Ų23.60%012%0.124CC..Hα-helixtrans-58.1-46168.7-78.90000111.5Y98 M102 T119 A120 R125 L126 L127Y98-C123 WeakPolarHBondContact CD1-SG 3.48Å; M102-C123 HydrophobicContact CE-CB 4.43Å; T119-C123 WeakPolarHBondContact O-CB 3.48Å; T119-C123 PolarHBondContact O-N 3.43Å; T119-C123 PolarHBondContact O-SG 2.94Å; T119-C123 VanDerWaalsContact O-SG 3.33Å; A120-C123 WeakPolarHBondContact O-CB 3.43Å; A120-C123 PolarHBondContact O-N 3.28Å; C123-R125 VanDerWaalsContact C-N 3.35Å; C123-R125 PolarHBondContact O-N 3.43Å; C123-L126 PolarHBondContact O-N 3.01Å; C123-L127 WeakPolarHBondContact O-CA 3.41Å; C123-L127 WeakPolarHBondContact O-CB 3.38Å; C123-L127 PolarHBondContact O-N 3.45Å
124L88.6Confident87.6Confident53 Ų5321.7 Ų21.728%0.27711%0.114SC..Hα-helixtrans-61.9-44.3176.8179.362.2000111A120 A121 G128 V242A120-L124 WeakPolarHBondContact O-CB 3.35Å; A120-L124 PolarHBondContact O-N 3.13Å; A121-L124 PolarHBondContact O-N 3.12Å; L124-G128 WeakPolarHBondContact O-CA 3.49Å; L124-G128 PolarHBondContact O-N 3.14Å; L124-V242 HydrophobicContact CD2-CG2 3.82Å
125R86.4Confident87.6Confident54 Ų5423.5 Ų23.520%0.20412%0.12CC..Hα-helixtrans-63.2-41179.8-171.3-175.467.879.51.9113.4Y80 A121 D122 C123 R291Y80-R125 PolarHBondContact OH-NH2 3.28Å; Y80-R125 VanDerWaalsContact OH-NH2 3.12Å; A121-R125 WeakPolarHBondContact O-CB 3.24Å; A121-R125 PolarHBondContact O-N 2.85Å; D122-R125 PolarHBondContact O-N 2.78Å; D122-R125 IonicContact OD1-CZ 3.83Å; D122-R125 IonicContact OD1-NE 3.1Å; D122-R125 PolarHBondContact OD1-NE 3.29Å; D122-R125 IonicContact OD1-NH2 3.02Å; D122-R125 PolarHBondContact OD1-NH2 2.83Å; C123-R125 VanDerWaalsContact C-N 3.35Å; C123-R125 PolarHBondContact O-N 3.43Å; R125-R291 WeakPolarHBondContact CD-O 3.3Å
126L87.5Confident87.6Confident0 Ų027.9 Ų27.90%014%0.144CC..Hα-helixtrans-94-37.8-174.5-71.7171.6000113.9P94 Y98 D122 C123 P161 V162 I164P94-L126 HydrophobicContact CB-CD1 3.8Å; Y98-L126 HydrophobicContact CD2-CD1 3.6Å; Y98-L126 HydrophobicContact CE2-CD1 3.62Å; D122-L126 WeakPolarHBondContact O-CB 3.4Å; D122-L126 PolarHBondContact O-N 3.14Å; C123-L126 PolarHBondContact O-N 3.01Å; L126-P161 WeakPolarHBondContact O-CA 3.48Å; L126-V162 PolarHBondContact O-N 3.32Å; L126-I164 HydrophobicContact CD2-CG2 3.9Å
127L88.3Confident87.5Confident7 Ų728.8 Ų28.84%0.03715%0.148CC..Hα-helixtrans-98.8-22.4-176.2-50.7-176.6000112.6F95 I99 M102 C123 I129 P158F95-L127 HydrophobicContact CD2-CD2 3.53Å; F95-L127 HydrophobicContact CE2-CD2 3.46Å; F95-L127 VanDerWaalsContact CE2-CD2 3.46Å; F95-L127 HydrophobicContact CZ-CD2 4.46Å; I99-L127 HydrophobicContact CD1-CD1 4.46Å; I99-L127 HydrophobicContact CD1-CD2 3.7Å; I99-L127 HydrophobicContact CG1-CD2 3.83Å; M102-L127 HydrophobicContact CB-CD1 4.45Å; M102-L127 HydrophobicContact CE-CD1 4.26Å; C123-L127 WeakPolarHBondContact O-CA 3.41Å; C123-L127 WeakPolarHBondContact O-CB 3.38Å; C123-L127 PolarHBondContact O-N 3.45Å; L127-I129 HydrophobicContact CB-CB 4.33Å; L127-I129 HydrophobicContact CB-CD1 4.04Å; L127-I129 HydrophobicContact CB-CG1 3.95Å; L127-I129 HydrophobicContact CD1-CD1 4.26Å; L127-I129 PolarHBondContact O-N 3.43Å; L127-P158 HydrophobicContact CB-CG 4.22Å; L127-P158 HydrophobicContact CD2-CG 4.47Å
128G85.5Confident87.4Confident33 Ų3329 Ų2934%0.3415%0.149SC..  trans70.815.3-171.600000113.6L124L124-G128 WeakPolarHBondContact O-CA 3.49Å; L124-G128 PolarHBondContact O-N 3.14Å
129I85.4Confident87.3Confident6 Ų632.9 Ų32.93%0.03117%0.17CC..  trans-99.6104-179.2-57.4174.2000108.4M102 Y112 L127 Q133 L137 L157 P158M102-I129 HydrophobicContact CE-CB 4.47Å; M102-I129 HydrophobicContact CE-CG2 4.23Å; M102-I129 HydrophobicContact CG-CD1 4.3Å; Y112-I129 PolarHBondContact OH-O 3.44Å; L127-I129 HydrophobicContact CB-CB 4.33Å; L127-I129 HydrophobicContact CB-CD1 4.04Å; L127-I129 HydrophobicContact CB-CG1 3.95Å; L127-I129 HydrophobicContact CD1-CD1 4.26Å; L127-I129 PolarHBondContact O-N 3.43Å; I129-Q133 HydrophobicContact CG2-CB 4.29Å; I129-L137 HydrophobicContact CD1-CD1 3.88Å; I129-L137 HydrophobicContact CG1-CD1 4.17Å; I129-L137 HydrophobicContact CG2-CD1 4.24Å; I129-L157 HydrophobicContact CD1-CD2 3.61Å; I129-P158 HydrophobicContact CD1-CG 4.3Å
130G86.3Confident87Confident7 Ų737.6 Ų37.67%0.07219%0.192CC..  trans-90.4-176.6165.300000111.9N132 Q133 Y134G130-N132 VanDerWaalsContact C-N 3.34Å; G130-N132 PolarHBondContact O-N 3.3Å; G130-Q133 PolarHBondContact O-N 3.39Å; G130-Q133 PolarHBondContact O-OE1 3.41Å; G130-Y134 WeakPolarHBondContact O-CB 3.45Å; G130-Y134 PolarHBondContact O-N 3.37Å
131R84.6Confident86.6Confident113 Ų11338.3 Ų38.343%0.42620%0.196SC..Hα-helixtrans-54.1-47.6-179.6-174.8179.9-168.4-111.14.1112.8Y112 D113 Y134 I135Y112-R131 HydrophobicContact CD1-CB 3.93Å; Y112-R131 HydrophobicContact CD1-CG 4.31Å; Y112-R131 HydrophobicContact CE1-CB 4.39Å; Y112-R131 HydrophobicContact CG-CB 4.42Å; D113-R131 WeakPolarHBondContact OD1-CD 3.49Å; D113-R131 IonicContact OD1-CZ 2.71Å; D113-R131 IonicContact OD1-NE 3.96Å; D113-R131 PolarHBondContact OD1-NE 3.04Å; D113-R131 IonicContact OD1-NH2 3.95Å; D113-R131 IonicContact OD2-CZ 2.97Å; D113-R131 IonicContact OD2-NE 3.4Å; D113-R131 IonicContact OD2-NH2 3.67Å; D113-R131 PolarHBondContact OD2-NH2 3.28Å; R131-Y134 PolarHBondContact O-N 3.47Å; R131-I135 HydrophobicContact CG-CD1 4.18Å; R131-I135 VanDerWaalsContact O-CG1 3.3Å; R131-I135 WeakPolarHBondContact O-CG1 3.3Å; R131-I135 PolarHBondContact O-N 2.93Å
132N86.2Confident86.2Confident35 Ų3543.1 Ų43.119%0.18721%0.212CC..Hα-helixtrans-68.8-44.2-177.4-66.1-16.7000111G130 Y134 I135 D136 S332 W333G130-N132 VanDerWaalsContact C-N 3.34Å; G130-N132 PolarHBondContact O-N 3.3Å; N132-Y134 VanDerWaalsContact C-N 3.29Å; N132-Y134 PolarHBondContact O-N 3.44Å; N132-I135 PolarHBondContact O-N 3.03Å; N132-D136 PolarHBondContact O-N 2.89Å; N132-S332 WeakPolarHBondContact ND2-CB 3.03Å; N132-S332 PolarHBondContact ND2-O 3.33Å; N132-S332 PolarHBondContact ND2-OG 2.77Å; N132-W333 PolarHBondContact ND2-NE1 3.32Å
133Q87.1Confident85.4Confident84 Ų8447 Ų4739%0.39324%0.239SC..Hα-helixtrans-61.4-39.2175.2-64.378.514.600111.5I129 G130 D136 L137I129-Q133 HydrophobicContact CG2-CB 4.29Å; G130-Q133 PolarHBondContact O-N 3.39Å; G130-Q133 PolarHBondContact O-OE1 3.41Å; Q133-D136 PolarHBondContact O-N 3.25Å; Q133-L137 WeakPolarHBondContact O-CB 3.27Å; Q133-L137 VanDerWaalsContact O-CG 3.23Å; Q133-L137 WeakPolarHBondContact O-CG 3.43Å; Q133-L137 PolarHBondContact O-N 3.45Å
134Y88.9Confident84Confident6 Ų648.2 Ų48.22%0.02425%0.248CC..Hα-helixtrans-62.3-45.5174.7177.1-93.9000112.1M102 I105 M106 K110 Y112 G130 R131 N132 D136 L137 M138M102-Y134 HydrophobicContact SD-CD2 3.46Å; M102-Y134 WeakPolarHBondContact SD-CD2 3.38Å; M102-Y134 HydrophobicContact SD-CE2 3.63Å; I105-Y134 HydrophobicContact CG2-CE2 4.16Å; I105-Y134 VanDerWaalsContact CG2-OH 3.26Å; I105-Y134 WeakPolarHBondContact CG2-OH 3.14Å; M106-Y134 HydrophobicContact CG-CD2 4.39Å; M106-Y134 HydrophobicContact CG-CE2 3.51Å; K110-Y134 PolarHBondContact O-OH 2.87Å; Y112-Y134 HydrophobicContact CD2-CD1 4.3Å; Y112-Y134 HydrophobicContact CD2-CD2 4.08Å; Y112-Y134 AromaticContact CD2-CG 3.73Å; Y112-Y134 HydrophobicContact CD2-CG 3.73Å; Y112-Y134 HydrophobicContact CG-CD1 4.47Å; Y112-Y134 HydrophobicContact CG-CG 4.31Å; G130-Y134 WeakPolarHBondContact O-CB 3.45Å; G130-Y134 PolarHBondContact O-N 3.37Å; R131-Y134 PolarHBondContact O-N 3.47Å; N132-Y134 VanDerWaalsContact C-N 3.29Å; N132-Y134 PolarHBondContact O-N 3.44Å; Y134-D136 VanDerWaalsContact C-N 3.28Å; Y134-D136 PolarHBondContact O-N 3.24Å; Y134-L137 PolarHBondContact O-N 3.39Å; Y134-M138 HydrophobicContact CE1-CB 4.44Å; Y134-M138 VanDerWaalsContact O-CB 3.32Å; Y134-M138 WeakPolarHBondContact O-CB 2.85Å; Y134-M138 PolarHBondContact O-N 3.06Å
135I87Confident82.5Confident68 Ų6853.4 Ų53.435%0.34927%0.268SS..Hα-helixtrans-58.6-44.2177.2-69.7164.8000110.1R131 N132 M138 N139R131-I135 HydrophobicContact CG-CD1 4.18Å; R131-I135 VanDerWaalsContact O-CG1 3.3Å; R131-I135 WeakPolarHBondContact O-CG1 3.3Å; R131-I135 PolarHBondContact O-N 2.93Å; N132-I135 PolarHBondContact O-N 3.03Å; I135-M138 PolarHBondContact O-N 3.43Å; I135-N139 WeakPolarHBondContact O-CB 3.49Å; I135-N139 PolarHBondContact O-N 3.31Å; I135-N139 PolarHBondContact O-ND2 3.22Å
136D87.4Confident81.2Confident92 Ų9259.7 Ų59.749%0.49230%0.297SS..Hα-helixtrans-63.2-46.9177.3-68.9-24.1000112.2N132 Q133 Y134 M138 N139 Q140N132-D136 PolarHBondContact O-N 2.89Å; Q133-D136 PolarHBondContact O-N 3.25Å; Y134-D136 VanDerWaalsContact C-N 3.28Å; Y134-D136 PolarHBondContact O-N 3.24Å; D136-M138 VanDerWaalsContact C-N 3.3Å; D136-M138 PolarHBondContact O-N 3.47Å; D136-N139 PolarHBondContact O-N 3.29Å; D136-Q140 WeakPolarHBondContact O-CB 3.2Å; D136-Q140 VanDerWaalsContact O-CG 3.26Å; D136-Q140 WeakPolarHBondContact O-CG 3.21Å; D136-Q140 PolarHBondContact O-N 3.18Å
137L86.8Confident79.6Confident26 Ų2668.2 Ų68.214%0.13634%0.335CS..Hα-helixtrans-60.7-39.8176-70.8172.3000111.7M106 I129 Q133 Y134 Q140 C141 L156M106-L137 HydrophobicContact CE-CB 4.06Å; I129-L137 HydrophobicContact CD1-CD1 3.88Å; I129-L137 HydrophobicContact CG1-CD1 4.17Å; I129-L137 HydrophobicContact CG2-CD1 4.24Å; Q133-L137 WeakPolarHBondContact O-CB 3.27Å; Q133-L137 VanDerWaalsContact O-CG 3.23Å; Q133-L137 WeakPolarHBondContact O-CG 3.43Å; Q133-L137 PolarHBondContact O-N 3.45Å; Y134-L137 PolarHBondContact O-N 3.39Å; L137-Q140 PolarHBondContact O-N 3.21Å; L137-C141 WeakPolarHBondContact O-CB 3.43Å; L137-C141 PolarHBondContact O-N 3.48Å; L137-L156 HydrophobicContact CD2-CB 4.24Å
138M84.9Confident78.1Confident13 Ų1378.1 Ų78.16%0.06438%0.378CS..Hα-helixtrans-67.7-41.4177.9-167.361.7-161.500111.5M106 E109 Y134 I135 D136 Q140 C141 R142M106-M138 HydrophobicContact CB-SD 4.35Å; M106-M138 HydrophobicContact CG-SD 4.46Å; E109-M138 HydrophobicContact CB-CE 3.98Å; E109-M138 HydrophobicContact CG-CE 3.67Å; Y134-M138 HydrophobicContact CE1-CB 4.44Å; Y134-M138 VanDerWaalsContact O-CB 3.32Å; Y134-M138 WeakPolarHBondContact O-CB 2.85Å; Y134-M138 PolarHBondContact O-N 3.06Å; I135-M138 PolarHBondContact O-N 3.43Å; D136-M138 VanDerWaalsContact C-N 3.3Å; D136-M138 PolarHBondContact O-N 3.47Å; M138-Q140 VanDerWaalsContact C-N 3.34Å; M138-C141 WeakPolarHBondContact O-CB 3.48Å; M138-C141 PolarHBondContact O-N 3.09Å; M138-R142 HydrophobicContact CE-CG 4.17Å; M138-R142 WeakPolarHBondContact O-CB 3.27Å; M138-R142 WeakPolarHBondContact O-CG 3.34Å; M138-R142 PolarHBondContact O-N 3.01Å
139N86.1Confident76.8Confident82 Ų8287 Ų8744%0.43940%0.401SS..Hα-helixtrans-63.7-39.5174.5-73-25.4000111.6I135 D136 R142 S143I135-N139 WeakPolarHBondContact O-CB 3.49Å; I135-N139 PolarHBondContact O-N 3.31Å; I135-N139 PolarHBondContact O-ND2 3.22Å; D136-N139 PolarHBondContact O-N 3.29Å; N139-R142 PolarHBondContact O-N 3.08Å; N139-S143 VanDerWaalsContact O-CB 3.27Å; N139-S143 WeakPolarHBondContact O-CB 3.39Å; N139-S143 PolarHBondContact O-N 3.39Å; N139-S143 PolarHBondContact O-OG 3.31Å
140Q83.9Confident75.5Confident100 Ų10095.8 Ų95.847%0.46743%0.434SS..Hα-helixtrans-65-42.1173.2-71.3175.131.100112D136 L137 M138 R142 S143 S144D136-Q140 WeakPolarHBondContact O-CB 3.2Å; D136-Q140 VanDerWaalsContact O-CG 3.26Å; D136-Q140 WeakPolarHBondContact O-CG 3.21Å; D136-Q140 PolarHBondContact O-N 3.18Å; L137-Q140 PolarHBondContact O-N 3.21Å; M138-Q140 VanDerWaalsContact C-N 3.34Å; Q140-R142 VanDerWaalsContact C-N 3.35Å; Q140-R142 PolarHBondContact O-N 3.34Å; Q140-S143 WeakPolarHBondContact CA-OG 3.49Å; Q140-S143 PolarHBondContact O-N 3.15Å; Q140-S143 PolarHBondContact O-OG 3.14Å; Q140-S144 PolarHBondContact O-N 3.31Å
141C81.1Confident74.4Confident14 Ų14101.3 Ų101.310%0.09546%0.456CS..Hα-helixtrans-60.8-44.7175.9-1670000111.3M106 L137 M138 S144 L156M106-C141 HydrophobicContact CE-CB 4.19Å; L137-C141 WeakPolarHBondContact O-CB 3.43Å; L137-C141 PolarHBondContact O-N 3.48Å; M138-C141 WeakPolarHBondContact O-CB 3.48Å; M138-C141 PolarHBondContact O-N 3.09Å; C141-S144 PolarHBondContact O-OG 3.46Å; C141-S144 VanDerWaalsContact O-OG 3.07Å; C141-L156 HydrophobicContact CB-CD1 3.63Å
142R79.4Confident73.8Confident112 Ų11298.3 Ų98.342%0.42345%0.452SS..Hα-helixtrans-68.3-39178.3-74.1176.4167173.1-0.7113.6E109 M138 N139 Q140 K145E109-R142 IonicContact OE2-CZ 3.73Å; E109-R142 IonicContact OE2-NE 3.28Å; E109-R142 IonicContact OE2-NH2 3.93Å; E109-R142 PolarHBondContact OE2-NH2 3.03Å; M138-R142 HydrophobicContact CE-CG 4.17Å; M138-R142 WeakPolarHBondContact O-CB 3.27Å; M138-R142 WeakPolarHBondContact O-CG 3.34Å; M138-R142 PolarHBondContact O-N 3.01Å; N139-R142 PolarHBondContact O-N 3.08Å; Q140-R142 VanDerWaalsContact C-N 3.35Å; Q140-R142 PolarHBondContact O-N 3.34Å; R142-K145 WeakPolarHBondContact O-CG 3.39Å
143S72.1Confident73.4Confident81 Ų8196.7 Ų96.757%0.56644%0.444SS*.Hα-helixtrans-78.2-19-176.557.30000114.1N139 Q140 K145N139-S143 VanDerWaalsContact O-CB 3.27Å; N139-S143 WeakPolarHBondContact O-CB 3.39Å; N139-S143 PolarHBondContact O-N 3.39Å; N139-S143 PolarHBondContact O-OG 3.31Å; Q140-S143 WeakPolarHBondContact CA-OG 3.49Å; Q140-S143 PolarHBondContact O-N 3.15Å; Q140-S143 PolarHBondContact O-OG 3.14Å; S143-K145 PolarHBondContact O-N 2.67Å
144S61.4Low73.1Confident27 Ų27100.3 Ų100.319%0.18945%0.454CS..G310 helixtrans-63.5-1.9176.779.40000115.2Q140 C141 K146Q140-S144 PolarHBondContact O-N 3.31Å; C141-S144 PolarHBondContact O-OG 3.46Å; C141-S144 VanDerWaalsContact O-OG 3.07Å; S144-K146 PolarHBondContact O-N 2.92Å; S144-K146 VanDerWaalsContact O-N 3.1Å
145K57.3Low72.7Confident162 Ų162105.3 Ų105.370%0.70448%0.481SS*.G310 helixtrans-63.3-8.7179.3-74.5179.4-179.8177.30115.7R142 S143R142-K145 WeakPolarHBondContact O-CG 3.39Å; S143-K145 PolarHBondContact O-N 2.67Å
146K57.3Low72.4Confident185 Ų185103.4 Ų103.480%0.80447%0.471SS*.G310 helixtrans-96.4-16.5-169.7-70.6-171.8177.2-179.60116.8S144S144-K146 PolarHBondContact O-N 2.92Å; S144-K146 VanDerWaalsContact O-N 3.1Å
147F54.2Low72.4Confident180 Ų18099.3 Ų99.379%0.78945%0.449SS*.SBendtrans-142.190179.3-77.7-87000112.5R149F147-R149 VanDerWaalsContact C-N 3.31Å; F147-R149 PolarHBondContact O-N 2.84Å
148F57Low72.3Confident215 Ų215100 Ų10094%0.94346%0.456SS*.SBendtrans47.81.2155.7-78.7-80.6000123.5
149R58Low72Confident219 Ų219104.9 Ų104.983%0.82649%0.491SS*.  trans-145.2115.1159.6-73.4-170.1-177.3174.11110.9F147 K151F147-R149 VanDerWaalsContact C-N 3.31Å; F147-R149 PolarHBondContact O-N 2.84Å; R149-K151 PolarHBondContact O-N 3.13Å; R149-K151 VanDerWaalsContact O-N 3.13Å
150R58Low71.6Confident191 Ų191109.2 Ų109.272%0.72151%0.506SS*.  trans-61.7113.6166.8-172.2177-174.4177.60.6106.8S152R150-S152 PolarHBondContact O-N 2.67Å
151K64.6Low71.5Confident122 Ų122105.4 Ų105.453%0.5349%0.49SS..  trans-63.8124.7166.5-70.2-174.7178.4-177.20106.6R149 D155 L156R149-K151 PolarHBondContact O-N 3.13Å; R149-K151 VanDerWaalsContact O-N 3.13Å; K151-D155 HydrophobicContact CB-CB 4.43Å; K151-L156 HydrophobicContact CB-CD2 4.38Å; K151-L156 HydrophobicContact CB-CG 4.36Å; K151-L156 HydrophobicContact CD-CD2 3.83Å
152S71.5Confident71.6Confident50 Ų50107.8 Ų107.835%0.3550%0.504SS..  trans-65.9153.7174.769.20000108.8R150 R154 D155R150-S152 PolarHBondContact O-N 2.67Å; S152-R154 PolarHBondContact O-N 2.67Å; S152-R154 VanDerWaalsContact O-N 3.15Å; S152-D155 WeakPolarHBondContact CB-OD2 3.13Å; S152-D155 PolarHBondContact N-OD2 3.19Å; S152-D155 WeakPolarHBondContact O-CB 3.45Å; S152-D155 PolarHBondContact O-N 3.07Å; S152-D155 PolarHBondContact OG-N 3.02Å; S152-D155 PolarHBondContact OG-OD1 3.5Å; S152-D155 PolarHBondContact OG-OD2 3.27Å
153A76.4Confident71.4Confident2 Ų2109.6 Ų109.62%0.01752%0.517CS..Hα-helixtrans-52.5-38.1176.200000110.7E103 M106 D155 L156 L157E103-A153 HydrophobicContact CG-CB 4.41Å; M106-A153 HydrophobicContact CB-CB 3.91Å; M106-A153 HydrophobicContact CE-CB 4.43Å; M106-A153 HydrophobicContact SD-CB 4.16Å; A153-D155 VanDerWaalsContact C-N 3.3Å; A153-D155 PolarHBondContact O-N 3.38Å; A153-L156 PolarHBondContact O-N 3.3Å; A153-L156 VanDerWaalsContact O-N 3.11Å; A153-L157 WeakPolarHBondContact O-CG 3.5Å; A153-L157 PolarHBondContact O-N 3.4Å
154R80.9Confident71.7Confident160 Ų160106 Ų10660%0.60449%0.492SS*.Hα-helixtrans-61.5-29176-166.1168.2-178.3152.5-0.8115.1S152 L156S152-R154 PolarHBondContact O-N 2.67Å; S152-R154 VanDerWaalsContact O-N 3.15Å; R154-L156 VanDerWaalsContact C-N 3.29Å
155D80.9Confident72.4Confident111 Ų111106.6 Ų106.659%0.59450%0.495SS*.Hα-helixtrans-75.9-20.1177.5-59-43.5000112.6K151 S152 A153K151-D155 HydrophobicContact CB-CB 4.43Å; S152-D155 WeakPolarHBondContact CB-OD2 3.13Å; S152-D155 PolarHBondContact N-OD2 3.19Å; S152-D155 WeakPolarHBondContact O-CB 3.45Å; S152-D155 PolarHBondContact O-N 3.07Å; S152-D155 PolarHBondContact OG-N 3.02Å; S152-D155 PolarHBondContact OG-OD1 3.5Å; S152-D155 PolarHBondContact OG-OD2 3.27Å; A153-D155 VanDerWaalsContact C-N 3.3Å; A153-D155 PolarHBondContact O-N 3.38Å
156L81.6Confident73.6Confident27 Ų2799 Ų9914%0.14146%0.462CS..Hα-helixtrans-93.4-20.8179.2-63.6174.7000112.3M106 L137 C141 K151 A153 R154M106-L156 HydrophobicContact CE-CD1 4.44Å; L137-L156 HydrophobicContact CD2-CB 4.24Å; C141-L156 HydrophobicContact CB-CD1 3.63Å; K151-L156 HydrophobicContact CB-CD2 4.38Å; K151-L156 HydrophobicContact CB-CG 4.36Å; K151-L156 HydrophobicContact CD-CD2 3.83Å; A153-L156 PolarHBondContact O-N 3.3Å; A153-L156 VanDerWaalsContact O-N 3.11Å; R154-L156 VanDerWaalsContact C-N 3.29Å
157L86.5Confident74.9Confident7 Ų791.2 Ų91.24%0.03743%0.429CS..SBendtrans-77.2150.4179.1-69.4173.8000111.6I99 M102 E103 M106 I129 A153 S159I99-L157 HydrophobicContact CD1-CB 3.91Å; I99-L157 HydrophobicContact CD1-CD1 4.45Å; I99-L157 HydrophobicContact CG2-CD1 4.21Å; M102-L157 HydrophobicContact CB-CD1 4.12Å; M102-L157 HydrophobicContact CB-CD2 3.99Å; M102-L157 HydrophobicContact CG-CD1 4.42Å; M102-L157 HydrophobicContact CG-CD2 3.5Å; M102-L157 VanDerWaalsContact CG-CD2 3.5Å; E103-L157 HydrophobicContact CB-CD1 4.11Å; M106-L157 HydrophobicContact SD-CD2 3.98Å; M106-L157 HydrophobicContact SD-CG 4.31Å; I129-L157 HydrophobicContact CD1-CD2 3.61Å; A153-L157 WeakPolarHBondContact O-CG 3.5Å; A153-L157 PolarHBondContact O-N 3.4Å; L157-S159 PolarHBondContact O-N 3.37Å
158P84.4Confident76.2Confident41 Ų4183.6 Ų83.627%0.26640%0.397SS..  trans-61.3137.4-179.923.6-31.8000110.8F95 I99 L127 I129F95-P158 WeakPolarHBondContact CZ-O 3.4Å; I99-P158 HydrophobicContact CD1-CG 4.08Å; I99-P158 WeakPolarHBondContact CD1-O 3.48Å; L127-P158 HydrophobicContact CB-CG 4.22Å; L127-P158 HydrophobicContact CD2-CG 4.47Å; I129-P158 HydrophobicContact CD1-CG 4.3Å
159S78.8Confident77.6Confident115 Ų11574.4 Ų74.480%0.80436%0.356SS*.SBendtrans-88.4-13178-43.70000113.3L157L157-S159 PolarHBondContact O-N 3.37Å
160K78.9Confident79.1Confident172 Ų17264.3 Ų64.375%0.74832%0.318SS*.SBendtrans-131.4146177.9-67.9-176.3-179.6179.70109.8
161P81.9Confident80.5Confident20 Ų2056.3 Ų56.313%0.1329%0.291CS..PPolyproline II helixtrans-64.6152.7172.827.6-34.3000111.2F95 L126 N217F95-P161 HydrophobicContact CB-CB 4.47Å; F95-P161 HydrophobicContact CD2-CB 3.61Å; F95-P161 HydrophobicContact CD2-CG 4.43Å; F95-P161 VanDerWaalsContact CE2-CA 3.45Å; F95-P161 HydrophobicContact CE2-CB 4.02Å; F95-P161 HydrophobicContact CG-CB 4.08Å; L126-P161 WeakPolarHBondContact O-CA 3.48Å; P161-N217 HydrophobicContact CG-CB 4.18Å; P161-N217 WeakPolarHBondContact CG-OD1 3.24Å
162V81.9Confident81.7Confident64 Ų6450.5 Ų50.539%0.38827%0.266SS..PPolyproline II helixtrans-66.3147.2167.2179.10000109.1L126 I164L126-V162 PolarHBondContact O-N 3.32Å; V162-I164 PolarHBondContact O-N 3.21Å; V162-I164 VanDerWaalsContact O-N 3.17Å
163E75.5Confident82.5Confident151 Ų15149.8 Ų49.871%0.70626%0.257SS*.PPolyproline II helixtrans-62117.7175.5-69.4-175.1176.500110.3
164I79Confident83Confident6 Ų651 Ų513%0.03126%0.264CS..PPolyproline II helixtrans-88.5142.1-179.257.3158.5000111L126 V162 V166 L213 Y216 L223L126-I164 HydrophobicContact CD2-CG2 3.9Å; V162-I164 PolarHBondContact O-N 3.21Å; V162-I164 VanDerWaalsContact O-N 3.17Å; I164-V166 HydrophobicContact CD1-CG2 3.75Å; I164-V166 HydrophobicContact CG1-CG2 3.9Å; I164-V166 PolarHBondContact O-N 3Å; I164-L213 HydrophobicContact CG1-CD2 4.15Å; I164-L213 WeakPolarHBondContact O-CD2 3.45Å; I164-Y216 HydrophobicContact CD1-CD1 3.63Å; I164-Y216 HydrophobicContact CD1-CD2 4.45Å; I164-Y216 HydrophobicContact CD1-CE1 3.32Å; I164-Y216 HydrophobicContact CD1-CE2 4.2Å; I164-Y216 HydrophobicContact CD1-CG 4.19Å; I164-Y216 HydrophobicContact CG1-CD1 4.01Å; I164-Y216 HydrophobicContact CG1-CE1 3.9Å; I164-Y216 HydrophobicContact CG2-CE1 4.47Å; I164-L223 HydrophobicContact CD1-CD1 3.89Å
165S75.9Confident83.1Confident38 Ų3843.9 Ų43.927%0.26624%0.24SC..  trans-74.9106.7169.1-54.60000109.4W170 L320S165-W170 WeakPolarHBondContact O-CH2 3.4Å; S165-L320 VanDerWaalsContact OG-CD1 3.26Å; S165-L320 WeakPolarHBondContact OG-CD1 3.45Å
166V82.8Confident83.1Confident2 Ų243.8 Ų43.81%0.01224%0.235CC..  trans-93.7138.6176.2-178.80000108.8I164 W170 A204 V212 L213 L223 W311I164-V166 HydrophobicContact CD1-CG2 3.75Å; I164-V166 HydrophobicContact CG1-CG2 3.9Å; I164-V166 PolarHBondContact O-N 3Å; V166-W170 HydrophobicContact CB-CE3 4.3Å; V166-W170 HydrophobicContact CB-CZ3 4.36Å; V166-W170 HydrophobicContact CG1-CB 4.49Å; V166-W170 HydrophobicContact CG1-CD2 4.26Å; V166-W170 HydrophobicContact CG1-CE3 3.71Å; V166-W170 HydrophobicContact CG1-CZ3 4.25Å; V166-W170 HydrophobicContact CG2-CZ3 4.3Å; V166-A204 HydrophobicContact CG1-CB 4.12Å; V166-V212 HydrophobicContact CG1-CG1 4.43Å; V166-L213 HydrophobicContact CG2-CD2 4.03Å; V166-L223 HydrophobicContact CG1-CD1 4.04Å; V166-L223 HydrophobicContact CG2-CD1 3.68Å; V166-W311 HydrophobicContact CB-CH2 4.25Å; V166-W311 HydrophobicContact CG1-CH2 3.92Å; V166-W311 WeakPolarHBondContact O-CZ3 3.44Å
167E83.2Confident83.1Confident23 Ų2344.2 Ų44.211%0.10724%0.237CC..  trans-95.4149.7173.4-68.3-66.6145.900112.1W169 W170 V317E167-W169 HydrophobicContact CB-CG 4.48Å; E167-W169 PolarHBondContact O-N 2.83Å; E167-W169 VanDerWaalsContact O-N 3.14Å; E167-W170 HydrophobicContact CB-CD2 4.37Å; E167-W170 HydrophobicContact CB-CG 4.27Å; E167-W170 HydrophobicContact CB-CZ2 4.5Å; E167-W170 HydrophobicContact CG-CZ2 4.38Å; E167-W170 WeakPolarHBondContact O-CB 3.28Å; E167-W170 PolarHBondContact O-N 3.32Å; E167-W170 VanDerWaalsContact O-N 3.16Å; E167-V317 HydrophobicContact CG-CG2 4.33Å; E167-V317 VanDerWaalsContact OE1-CB 3.24Å; E167-V317 WeakPolarHBondContact OE1-CB 3.43Å; E167-V317 VanDerWaalsContact OE1-CG2 3.3Å; E167-V317 WeakPolarHBondContact OE1-CG2 3.49Å; E167-V317 PolarHBondContact OE1-N 3.42Å
168P82.2Confident82.9Confident19 Ų1945.8 Ų45.812%0.12325%0.247CC..THydrogen-bonded Turntrans-64.1-23.5-173.6-18.427.6000115.2G205 L307 W311P168-G205 WeakPolarHBondContact O-CA 3.47Å; P168-G205 PolarHBondContact O-N 3Å; P168-L307 HydrophobicContact CB-CD2 3.43Å; P168-L307 VanDerWaalsContact CB-CD2 3.43Å; P168-L307 HydrophobicContact CG-CD2 4.21Å; P168-W311 HydrophobicContact CB-CD2 4.45Å; P168-W311 HydrophobicContact CB-CE3 4.14Å; P168-W311 HydrophobicContact CB-CZ3 4.31Å; P168-W311 HydrophobicContact CG-CD2 4.34Å; P168-W311 HydrophobicContact CG-CE3 3.68Å; P168-W311 HydrophobicContact CG-CZ3 3.99Å
169W85.5Confident82.6Confident22 Ų2251 Ų518%0.08327%0.268CS..THydrogen-bonded Turntrans-86.4-6.8-178.661.6-90.4000114.3E167 V225 P226 I227 C290 K297 F302E167-W169 HydrophobicContact CB-CG 4.48Å; E167-W169 PolarHBondContact O-N 2.83Å; E167-W169 VanDerWaalsContact O-N 3.14Å; W169-V225 HydrophobicContact CH2-CB 4.47Å; W169-V225 HydrophobicContact CH2-CG1 3.22Å; W169-V225 HydrophobicContact CZ2-CG1 4.08Å; W169-V225 HydrophobicContact CZ3-CB 4.45Å; W169-V225 HydrophobicContact CZ3-CG1 3.57Å; W169-P226 HydrophobicContact CE3-CG 4.21Å; W169-P226 HydrophobicContact CZ3-CG 4.3Å; W169-P226 WeakPolarHBondContact CZ3-O 3.46Å; W169-I227 HydrophobicContact CH2-CD1 3.98Å; W169-I227 HydrophobicContact CZ3-CD1 4.29Å; W169-C290 HydrophobicContact CH2-CB 4.27Å; W169-C290 HydrophobicContact CZ2-CB 4.29Å; W169-K297 HydrophobicContact CH2-CD 4.45Å; W169-K297 HydrophobicContact CZ2-CB 4.39Å; W169-F302 HydrophobicContact CB-CE2 3.55Å; W169-F302 HydrophobicContact CB-CZ 3.42Å; W169-F302 VanDerWaalsContact CB-CZ 3.42Å; W169-F302 HydrophobicContact CG-CE2 4.35Å
170W89.7Confident82.6Confident7 Ų750.2 Ų50.23%0.02725%0.254CS..SBendtrans-66.2153.5174.5-65.76.9000109.8S165 V166 E167 A204 L223 D224 V225S165-W170 WeakPolarHBondContact O-CH2 3.4Å; V166-W170 HydrophobicContact CB-CE3 4.3Å; V166-W170 HydrophobicContact CB-CZ3 4.36Å; V166-W170 HydrophobicContact CG1-CB 4.49Å; V166-W170 HydrophobicContact CG1-CD2 4.26Å; V166-W170 HydrophobicContact CG1-CE3 3.71Å; V166-W170 HydrophobicContact CG1-CZ3 4.25Å; V166-W170 HydrophobicContact CG2-CZ3 4.3Å; E167-W170 HydrophobicContact CB-CD2 4.37Å; E167-W170 HydrophobicContact CB-CG 4.27Å; E167-W170 HydrophobicContact CB-CZ2 4.5Å; E167-W170 HydrophobicContact CG-CZ2 4.38Å; E167-W170 WeakPolarHBondContact O-CB 3.28Å; E167-W170 PolarHBondContact O-N 3.32Å; E167-W170 VanDerWaalsContact O-N 3.16Å; W170-A204 HydrophobicContact CB-CB 4.42Å; W170-A204 WeakPolarHBondContact O-CB 3.3Å; W170-A204 PolarHBondContact O-N 2.82Å; W170-L223 HydrophobicContact CE3-CB 4.07Å; W170-L223 HydrophobicContact CE3-CD1 3.93Å; W170-L223 HydrophobicContact CZ3-CD1 4.18Å; W170-D224 WeakPolarHBondContact CA-O 3.43Å; W170-V225 HydrophobicContact CD2-CG2 3.6Å; W170-V225 HydrophobicContact CE3-CG2 4.15Å; W170-V225 HydrophobicContact CG-CG2 3.77Å; W170-V225 HydrophobicContact CZ2-CG2 4.19Å
171V89.3Confident82.7Confident24 Ų2443 Ų4315%0.14522%0.224CC..EExtended strand (participates in β ladder)trans-108116.5-176.3176.70000109Q173 P201 Q202 L203 D224 P226V171-Q173 HydrophobicContact CG1-CG 4.28Å; V171-P201 HydrophobicContact CG1-CB 3.47Å; V171-P201 VanDerWaalsContact CG1-CB 3.47Å; V171-Q202 CarbonylContact C-O 3.34Å; V171-Q202 WeakPolarHBondContact CA-O 3.3Å; V171-L203 HydrophobicContact CG2-CD2 4.02Å; V171-D224 HydrophobicContact CB-CB 4.33Å; V171-D224 PolarHBondContact N-O 3.47Å; V171-D224 PolarHBondContact O-N 3.29Å; V171-P226 HydrophobicContact CG2-CG 3.82Å
172A89.5Confident82.5Confident0 Ų044.7 Ų44.70%023%0.231CC..EExtended strand (participates in β ladder)trans-79.2128.5172.800000110.3M196 Q202 I207 I221 L223A172-M196 HydrophobicContact CB-SD 3.86Å; A172-Q202 PolarHBondContact N-O 3.48Å; A172-Q202 PolarHBondContact O-N 3.22Å; A172-Q202 VanDerWaalsContact O-N 3.15Å; A172-I207 HydrophobicContact CB-CD1 4.43Å; A172-I221 HydrophobicContact CB-CD1 4.22Å; A172-L223 HydrophobicContact CB-CD2 4.11Å
173Q88.4Confident82.4Confident35 Ų3550.5 Ų50.516%0.16425%0.246CC..EExtended strand (participates in β ladder)trans-123.3145.4173.9-64.2-165.132.400110.6V171 P201 I221 Y222V171-Q173 HydrophobicContact CG1-CG 4.28Å; Q173-P201 HydrophobicContact CG-CB 3.96Å; Q173-P201 HydrophobicContact CG-CG 4.09Å; Q173-I221 CarbonylContact O-C 3.54Å; Q173-I221 WeakPolarHBondContact O-CA 3.31Å; Q173-I221 VanDerWaalsContact O-CB 3.3Å; Q173-I221 WeakPolarHBondContact O-CB 3.28Å; Q173-Y222 HydrophobicContact CB-CD1 4.33Å; Q173-Y222 HydrophobicContact CB-CD2 4.18Å; Q173-Y222 HydrophobicContact CB-CE1 3.81Å; Q173-Y222 HydrophobicContact CB-CE2 3.62Å; Q173-Y222 VanDerWaalsContact CB-CZ 3.41Å; Q173-Y222 HydrophobicContact CG-CE2 4.09Å; Q173-Y222 PolarHBondContact N-O 3.17Å; Q173-Y222 PolarHBondContact O-N 2.77Å; Q173-Y222 PolarHBondContact OE1-OH 3.19Å
174T86.3Confident82.8Confident28 Ų2848.9 Ų48.917%0.17224%0.241CC..EExtended strand (participates in β ladder)trans-66.9133.1176.945.80000111.1K88 I177 M196 I197 Y222K88-T174 WeakPolarHBondContact CE-O 3.4Å; T174-I177 HydrophobicContact CG2-CD1 4.32Å; T174-M196 HydrophobicContact CG2-CB 3.67Å; T174-M196 HydrophobicContact CG2-CE 3.74Å; T174-M196 HydrophobicContact CG2-SD 4.47Å; T174-I197 HydrophobicContact CG2-CG1 4.06Å; T174-Y222 WeakPolarHBondContact O-CE1 3.39Å
175G83.4Confident83Confident10 Ų1049.6 Ų49.610%0.10325%0.246CC..  trans-82.1-158.7166.900000111.7I177 F220G175-I177 PolarHBondContact O-N 2.68Å; G175-F220 WeakPolarHBondContact CA-O 3.3Å; G175-F220 PolarHBondContact N-O 3.49Å
176F80.7Confident83.6Confident109 Ų10950.4 Ų50.448%0.47825%0.252SS..  trans-83.4105.7170.1-169.9-99.6000110.2K88 T178K88-F176 WeakPolarHBondContact O-CD2 3.47Å; F176-T178 HydrophobicContact CD1-CG2 4.15Å; F176-T178 HydrophobicContact CE1-CG2 3.65Å
177I81.8Confident83.7Confident35 Ų3556.5 Ų56.518%0.17929%0.29CS..  trans-109.7126.9-178.1-60.2161.7000108.7T174 G175 D181 I182 I193 F220T174-I177 HydrophobicContact CG2-CD1 4.32Å; G175-I177 PolarHBondContact O-N 2.68Å; I177-D181 HydrophobicContact CG2-CB 4.17Å; I177-I182 HydrophobicContact CG2-CD1 4.08Å; I177-I182 HydrophobicContact CG2-CG1 3.6Å; I177-I193 HydrophobicContact CD1-CD1 4.15Å; I177-I193 HydrophobicContact CD1-CG1 4.16Å; I177-I193 HydrophobicContact CD1-CG2 3.74Å; I177-F220 HydrophobicContact CD1-CB 4.32Å; I177-F220 HydrophobicContact CG1-CB 4.13Å
178T81.6Confident83.8Confident41 Ų4157.4 Ų57.425%0.25230%0.301SS..  trans-96.2164.6175.768.10000112F176 D180 D181 I182F176-T178 HydrophobicContact CD1-CG2 4.15Å; F176-T178 HydrophobicContact CE1-CG2 3.65Å; T178-D180 PolarHBondContact O-N 3.02Å; T178-D181 WeakPolarHBondContact CB-OD2 3.33Å; T178-D181 PolarHBondContact N-OD2 3.2Å; T178-D181 WeakPolarHBondContact O-CB 3.35Å; T178-D181 PolarHBondContact O-N 2.89Å; T178-D181 VanDerWaalsContact O-N 3.13Å; T178-D181 PolarHBondContact OG1-N 2.55Å; T178-D181 PolarHBondContact OG1-OD2 3.45Å; T178-I182 PolarHBondContact O-N 3.14Å
179E78.1Confident84.1Confident150 Ų15056.7 Ų56.770%0.70130%0.296SS*.Hα-helixtrans-60.8-33.8177.7-67.5-174.9179.800112.9I182 R183E179-I182 PolarHBondContact O-N 3.4Å; E179-R183 PolarHBondContact O-N 3.2Å
180D78.9Confident84.1Confident98 Ų9860.4 Ų60.452%0.52431%0.312SS..Hα-helixtrans-70.2-33.8176.6-71.1-37.1000112T178 I182 R183T178-D180 PolarHBondContact O-N 3.02Å; D180-I182 VanDerWaalsContact C-N 3.33Å; D180-I182 PolarHBondContact O-N 3.1Å; D180-R183 PolarHBondContact O-N 3.18Å; D180-R183 IonicContact OD1-CZ 3.78Å; D180-R183 IonicContact OD1-NH1 3.23Å; D180-R183 PolarHBondContact OD1-NH1 3.45Å
181D80.1Confident84Confident22 Ų2267.9 Ų67.912%0.11835%0.345CS..Hα-helixtrans-64.9-39.3175.1-62.8-46.1000111R91 I177 T178 R183 I184 C185 F220R91-D181 IonicContact NH2-OD1 3.72Å; R91-D181 PolarHBondContact NH2-OD1 3.06Å; R91-D181 IonicContact NH2-OD2 3.76Å; R91-D181 PolarHBondContact NH2-OD2 2.93Å; I177-D181 HydrophobicContact CG2-CB 4.17Å; T178-D181 WeakPolarHBondContact CB-OD2 3.33Å; T178-D181 PolarHBondContact N-OD2 3.2Å; T178-D181 WeakPolarHBondContact O-CB 3.35Å; T178-D181 PolarHBondContact O-N 2.89Å; T178-D181 VanDerWaalsContact O-N 3.13Å; T178-D181 PolarHBondContact OG1-N 2.55Å; T178-D181 PolarHBondContact OG1-OD2 3.45Å; D181-R183 VanDerWaalsContact C-N 3.28Å; D181-R183 PolarHBondContact O-N 3.45Å; D181-I184 PolarHBondContact O-N 3.01Å; D181-C185 PolarHBondContact O-N 3.35Å; D181-C185 PolarHBondContact O-SG 2.73Å; D181-C185 VanDerWaalsContact O-SG 3.33Å; D181-F220 HydrophobicContact CB-CD1 4.49Å; D181-F220 HydrophobicContact CB-CE1 3.66Å; D181-F220 HydrophobicContact CB-CZ 3.74Å
182I78.9Confident83.9Confident54 Ų5467.2 Ų67.228%0.27734%0.342SS..Hα-helixtrans-65.2-31.5178.9-63.5169.8000111.7I177 T178 E179 D180 I184 C185 K190I177-I182 HydrophobicContact CG2-CD1 4.08Å; I177-I182 HydrophobicContact CG2-CG1 3.6Å; T178-I182 PolarHBondContact O-N 3.14Å; E179-I182 PolarHBondContact O-N 3.4Å; D180-I182 VanDerWaalsContact C-N 3.33Å; D180-I182 PolarHBondContact O-N 3.1Å; I182-I184 PolarHBondContact O-N 3.1Å; I182-C185 PolarHBondContact O-N 2.93Å; I182-K190 HydrophobicContact CG2-CD 4.23Å; I182-K190 HydrophobicContact CG2-CG 4.42Å
183R79.4Confident83.8Confident187 Ų18767.3 Ų67.371%0.70634%0.343SS*.Hα-helixtrans-67.2-23.9178.1-69.8174.3-178.4165-3113.2E179 D180 D181E179-R183 PolarHBondContact O-N 3.2Å; D180-R183 PolarHBondContact O-N 3.18Å; D180-R183 IonicContact OD1-CZ 3.78Å; D180-R183 IonicContact OD1-NH1 3.23Å; D180-R183 PolarHBondContact OD1-NH1 3.45Å; D181-R183 VanDerWaalsContact C-N 3.28Å; D181-R183 PolarHBondContact O-N 3.45Å
184I83.5Confident83.7Confident117 Ų11768.7 Ų68.760%0.635%0.351SS*.Hα-helixtrans-95.8-8.4-177-53.8164.3000111.1D181 I182 R218D181-I184 PolarHBondContact O-N 3.01Å; I182-I184 PolarHBondContact O-N 3.1Å; I184-R218 PolarHBondContact O-NH1 2.94Å
185C83.3Confident83.7Confident20 Ų2071.5 Ų71.514%0.13536%0.361CS..SBendtrans-76.3144.4177-70.60000112.2D181 I182 E189 F220D181-C185 PolarHBondContact O-N 3.35Å; D181-C185 PolarHBondContact O-SG 2.73Å; D181-C185 VanDerWaalsContact O-SG 3.33Å; I182-C185 PolarHBondContact O-N 2.93Å; C185-E189 WeakPolarHBondContact CA-OE2 3.39Å; C185-E189 HydrophobicContact CB-CB 4.01Å; C185-F220 WeakPolarHBondContact SG-CE2 3.43Å
186S88Confident83.9Confident55 Ų5571.3 Ų71.339%0.38536%0.357SS..  trans-66163.1166.563.40000111.5A188 E189 K190S186-A188 VanDerWaalsContact C-N 3.25Å; S186-A188 PolarHBondContact O-N 2.9Å; S186-E189 WeakPolarHBondContact CB-OE2 3.28Å; S186-E189 PolarHBondContact N-OE2 3.43Å; S186-E189 PolarHBondContact O-N 3.32Å; S186-E189 WeakPolarHBondContact OG-CB 3.37Å; S186-E189 VanDerWaalsContact OG-CD 3.27Å; S186-E189 WeakPolarHBondContact OG-CG 3.47Å; S186-E189 PolarHBondContact OG-N 3.37Å; S186-E189 PolarHBondContact OG-OE2 3.46Å; S186-K190 WeakPolarHBondContact O-CB 3.27Å; S186-K190 PolarHBondContact O-N 2.95Å
187T85.8Confident84.1Confident131 Ų13170.8 Ų70.880%0.80436%0.359SS*.Hα-helixtrans-60.8-34.8178.151.60000112.6K191T187-K191 WeakPolarHBondContact O-CB 2.95Å; T187-K191 PolarHBondContact O-N 3.13Å; T187-K191 VanDerWaalsContact O-N 3.08Å
188A86.3Confident84.3Confident41 Ų4175.4 Ų75.434%0.33938%0.384SS..Hα-helixtrans-70.7-44.1176.600000112.3S186 K191 A192 V211S186-A188 VanDerWaalsContact C-N 3.25Å; S186-A188 PolarHBondContact O-N 2.9Å; A188-K191 PolarHBondContact O-N 3.36Å; A188-A192 PolarHBondContact O-N 2.8Å; A188-V211 HydrophobicContact CB-CG2 3.94Å
189E87Confident84.4Confident5 Ų577.4 Ų77.42%0.02340%0.4CS..Hα-helixtrans-60.6-45.5174.2-75.7169.2143.800111.5C185 S186 K191 A192 I193 V211 S214 L215 R218C185-E189 WeakPolarHBondContact CA-OE2 3.39Å; C185-E189 HydrophobicContact CB-CB 4.01Å; S186-E189 WeakPolarHBondContact CB-OE2 3.28Å; S186-E189 PolarHBondContact N-OE2 3.43Å; S186-E189 PolarHBondContact O-N 3.32Å; S186-E189 WeakPolarHBondContact OG-CB 3.37Å; S186-E189 VanDerWaalsContact OG-CD 3.27Å; S186-E189 WeakPolarHBondContact OG-CG 3.47Å; S186-E189 PolarHBondContact OG-N 3.37Å; S186-E189 PolarHBondContact OG-OE2 3.46Å; E189-K191 PolarHBondContact O-N 3.23Å; E189-A192 PolarHBondContact O-N 3.02Å; E189-I193 WeakPolarHBondContact O-CG1 2.91Å; E189-I193 PolarHBondContact O-N 3.04Å; E189-V211 HydrophobicContact CG-CG1 4Å; E189-S214 VanDerWaalsContact OE1-CB 3.25Å; E189-S214 WeakPolarHBondContact OE1-CB 3.44Å; E189-S214 PolarHBondContact OE1-OG 3.16Å; E189-L215 HydrophobicContact CB-CD2 3.82Å; E189-L215 HydrophobicContact CB-CG 4.42Å; E189-L215 HydrophobicContact CG-CD2 3.85Å; E189-L215 HydrophobicContact CG-CG 4.08Å; E189-R218 IonicContact OE1-CZ 3.83Å; E189-R218 IonicContact OE1-NE 3.36Å; E189-R218 IonicContact OE2-NH1 2.98Å
190K87.2Confident84.8Confident99 Ų9971.4 Ų71.443%0.4338%0.377SS..Hα-helixtrans-60.3-46.7177.7-175.3177.4176.9-178.30111.4I182 S186 A192 I193 D194I182-K190 HydrophobicContact CG2-CD 4.23Å; I182-K190 HydrophobicContact CG2-CG 4.42Å; S186-K190 WeakPolarHBondContact O-CB 3.27Å; S186-K190 PolarHBondContact O-N 2.95Å; K190-A192 VanDerWaalsContact C-N 3.28Å; K190-A192 PolarHBondContact O-N 3.5Å; K190-I193 PolarHBondContact O-N 3.06Å; K190-D194 WeakPolarHBondContact O-CB 3.49Å; K190-D194 PolarHBondContact O-N 3Å
191K87.6Confident85.2Confident164 Ų16470.6 Ų70.671%0.71338%0.378SS*.Hα-helixtrans-59.9-38176.9-174179.1179.8-178.40112.3T187 A188 E189 K195T187-K191 WeakPolarHBondContact O-CB 2.95Å; T187-K191 PolarHBondContact O-N 3.13Å; T187-K191 VanDerWaalsContact O-N 3.08Å; A188-K191 PolarHBondContact O-N 3.36Å; E189-K191 PolarHBondContact O-N 3.23Å; K191-K195 WeakPolarHBondContact O-CB 3.48Å; K191-K195 PolarHBondContact O-N 3.46Å
192A86.4Confident85.5Confident10 Ų1070.9 Ų70.98%0.08338%0.378CS..Hα-helixtrans-68.7-42.5176.200000112A188 E189 K190 K195 M196 I207 V211 L215A188-A192 PolarHBondContact O-N 2.8Å; E189-A192 PolarHBondContact O-N 3.02Å; K190-A192 VanDerWaalsContact C-N 3.28Å; K190-A192 PolarHBondContact O-N 3.5Å; A192-K195 PolarHBondContact O-N 3.28Å; A192-M196 WeakPolarHBondContact O-CG 3.1Å; A192-M196 PolarHBondContact O-N 3.29Å; A192-M196 VanDerWaalsContact O-N 3.08Å; A192-I207 HydrophobicContact CB-CG2 4.07Å; A192-V211 HydrophobicContact CB-CG1 4.01Å; A192-L215 HydrophobicContact CB-CD1 4.07Å
193I86.7Confident85.9Confident2 Ų271.9 Ų71.91%0.0138%0.384CS..Hα-helixtrans-60.3-52.3174.2-69167.3000110.7I177 E189 K190 K195 M196 I197 L215I177-I193 HydrophobicContact CD1-CD1 4.15Å; I177-I193 HydrophobicContact CD1-CG1 4.16Å; I177-I193 HydrophobicContact CD1-CG2 3.74Å; E189-I193 WeakPolarHBondContact O-CG1 2.91Å; E189-I193 PolarHBondContact O-N 3.04Å; K190-I193 PolarHBondContact O-N 3.06Å; I193-K195 VanDerWaalsContact C-N 3.29Å; I193-K195 PolarHBondContact O-N 3.35Å; I193-M196 HydrophobicContact CG1-CE 4.32Å; I193-M196 PolarHBondContact O-N 3.24Å; I193-I197 HydrophobicContact CG2-CD1 3.67Å; I193-I197 HydrophobicContact CG2-CG1 4.32Å; I193-I197 WeakPolarHBondContact O-CG1 3.34Å; I193-I197 PolarHBondContact O-N 2.95Å; I193-L215 HydrophobicContact CD1-CD2 3.73Å; I193-L215 HydrophobicContact CG1-CD1 4.42Å; I193-L215 HydrophobicContact CG1-CD2 3.97Å
194D86.1Confident86.2Confident64 Ų6463 Ų6334%0.34235%0.35SS..Hα-helixtrans-56.6-45.4179.8-67-18.4000110.2K190 M196 I197 D198K190-D194 WeakPolarHBondContact O-CB 3.49Å; K190-D194 PolarHBondContact O-N 3Å; D194-M196 VanDerWaalsContact C-N 3.35Å; D194-M196 PolarHBondContact O-N 2.92Å; D194-I197 PolarHBondContact O-N 3.25Å; D194-I197 VanDerWaalsContact O-N 3.16Å; D194-D198 WeakPolarHBondContact O-CB 3.5Å; D194-D198 VanDerWaalsContact O-CG 3.27Å; D194-D198 PolarHBondContact O-N 2.83Å
195K86.4Confident86.1Confident88 Ų8857.5 Ų57.538%0.38332%0.323SS..Hα-helixtrans-59.8-40.3176.2-170.2-176.8-179.8-163.30113K191 A192 I193 S199 Q202K191-K195 WeakPolarHBondContact O-CB 3.48Å; K191-K195 PolarHBondContact O-N 3.46Å; A192-K195 PolarHBondContact O-N 3.28Å; I193-K195 VanDerWaalsContact C-N 3.29Å; I193-K195 PolarHBondContact O-N 3.35Å; K195-S199 VanDerWaalsContact O-CB 3.27Å; K195-S199 WeakPolarHBondContact O-CB 3.29Å; K195-S199 PolarHBondContact O-N 3.48Å; K195-Q202 VanDerWaalsContact CE-OE1 3.28Å
196M87.2Confident86.2Confident5 Ų559.2 Ų59.23%0.02533%0.333CS..Hα-helixtrans-73.1-29.1177.6-69-179.2-5600113A172 T174 A192 I193 D194 G200 Q202 I207 I221A172-M196 HydrophobicContact CB-SD 3.86Å; T174-M196 HydrophobicContact CG2-CB 3.67Å; T174-M196 HydrophobicContact CG2-CE 3.74Å; T174-M196 HydrophobicContact CG2-SD 4.47Å; A192-M196 WeakPolarHBondContact O-CG 3.1Å; A192-M196 PolarHBondContact O-N 3.29Å; A192-M196 VanDerWaalsContact O-N 3.08Å; I193-M196 HydrophobicContact CG1-CE 4.32Å; I193-M196 PolarHBondContact O-N 3.24Å; D194-M196 VanDerWaalsContact C-N 3.35Å; D194-M196 PolarHBondContact O-N 2.92Å; M196-G200 WeakPolarHBondContact CA-O 3.26Å; M196-G200 CarbonylContact O-C 3.58Å; M196-G200 WeakPolarHBondContact O-CA 3.5Å; M196-G200 PolarHBondContact O-N 3.35Å; M196-G200 VanDerWaalsContact O-N 3.14Å; M196-Q202 HydrophobicContact CG-CB 4.12Å; M196-Q202 HydrophobicContact CG-CG 3.72Å; M196-I207 HydrophobicContact SD-CD1 4.43Å; M196-I221 HydrophobicContact CE-CG2 3.47Å; M196-I221 VanDerWaalsContact CE-CG2 3.47Å; M196-I221 HydrophobicContact SD-CG2 4.15Å
197I85.4Confident86Confident99 Ų9957.4 Ų57.451%0.50832%0.318SS..Hα-helixtrans-72-46.4174.3-66.5172.2000109.8T174 I193 D194T174-I197 HydrophobicContact CG2-CG1 4.06Å; I193-I197 HydrophobicContact CG2-CD1 3.67Å; I193-I197 HydrophobicContact CG2-CG1 4.32Å; I193-I197 WeakPolarHBondContact O-CG1 3.34Å; I193-I197 PolarHBondContact O-N 2.95Å; D194-I197 PolarHBondContact O-N 3.25Å; D194-I197 VanDerWaalsContact O-N 3.16Å
198D86.4Confident86Confident132 Ų13254.6 Ų54.671%0.70630%0.296SS*.Hα-helixtrans-75.5-43.3-174.5-67.3-20.6000112.8D194D194-D198 WeakPolarHBondContact O-CB 3.5Å; D194-D198 VanDerWaalsContact O-CG 3.27Å; D194-D198 PolarHBondContact O-N 2.83Å
199S83.4Confident85.9Confident83 Ų8353.6 Ų53.658%0.5828%0.284SS*.Hα-helixtrans-104.3-1.4-173.1-540000113.6K195K195-S199 VanDerWaalsContact O-CB 3.27Å; K195-S199 WeakPolarHBondContact O-CB 3.29Å; K195-S199 PolarHBondContact O-N 3.48Å
200G86.2Confident85.9Confident23 Ų2358.1 Ų58.124%0.23731%0.308CS..  trans76.7-166.5-17500000113.8M196 Q202M196-G200 WeakPolarHBondContact CA-O 3.26Å; M196-G200 CarbonylContact O-C 3.58Å; M196-G200 WeakPolarHBondContact O-CA 3.5Å; M196-G200 PolarHBondContact O-N 3.35Å; M196-G200 VanDerWaalsContact O-N 3.14Å; G200-Q202 WeakPolarHBondContact O-CG 3.42Å; G200-Q202 PolarHBondContact O-N 3.35Å; G200-Q202 PolarHBondContact O-NE2 3.44Å
201P87Confident85.8Confident81 Ų8154 Ų5453%0.52629%0.291SS..SBendtrans-50.9134.6-176.1-26.434.7000113.1V171 Q173V171-P201 HydrophobicContact CG1-CB 3.47Å; V171-P201 VanDerWaalsContact CG1-CB 3.47Å; Q173-P201 HydrophobicContact CG-CB 3.96Å; Q173-P201 HydrophobicContact CG-CG 4.09Å
202Q87.5Confident85.7Confident29 Ų2946.2 Ų46.214%0.13626%0.257CS..EExtended strand (participates in β ladder)trans-117.2146-176.9-63.2-62.2-6500110.9V171 A172 K195 M196 G200 I207V171-Q202 CarbonylContact C-O 3.34Å; V171-Q202 WeakPolarHBondContact CA-O 3.3Å; A172-Q202 PolarHBondContact N-O 3.48Å; A172-Q202 PolarHBondContact O-N 3.22Å; A172-Q202 VanDerWaalsContact O-N 3.15Å; K195-Q202 VanDerWaalsContact CE-OE1 3.28Å; M196-Q202 HydrophobicContact CG-CB 4.12Å; M196-Q202 HydrophobicContact CG-CG 3.72Å; G200-Q202 WeakPolarHBondContact O-CG 3.42Å; G200-Q202 PolarHBondContact O-N 3.35Å; G200-Q202 PolarHBondContact O-NE2 3.44Å; Q202-I207 HydrophobicContact CB-CD1 4.07Å
203L87.1Confident85.7Confident75 Ų7546.1 Ų46.139%0.39326%0.256SS..EExtended strand (participates in β ladder)trans-67.3132.7170.6-71.6169.8000110V171 G205 T206V171-L203 HydrophobicContact CG2-CD2 4.02Å; L203-G205 PolarHBondContact O-N 2.98Å; L203-T206 HydrophobicContact CB-CG2 4.03Å; L203-T206 PolarHBondContact O-N 3.42Å; L203-T206 PolarHBondContact O-OG1 3.34Å
204A85.7Confident85.7Confident0 Ų047.8 Ų47.80%027%0.267CS..G310 helixtrans-55.4-39.6179.900000111.4V166 W170 T206 I207 W311V166-A204 HydrophobicContact CG1-CB 4.12Å; W170-A204 HydrophobicContact CB-CB 4.42Å; W170-A204 WeakPolarHBondContact O-CB 3.3Å; W170-A204 PolarHBondContact O-N 2.82Å; A204-T206 PolarHBondContact O-N 3.07Å; A204-T206 VanDerWaalsContact O-N 3.1Å; A204-I207 PolarHBondContact O-N 3.14Å; A204-W311 VanDerWaalsContact C-CZ2 3.44Å; A204-W311 HydrophobicContact CB-CH2 3.99Å; A204-W311 HydrophobicContact CB-CZ2 4.02Å; A204-W311 WeakPolarHBondContact O-CZ2 3.44Å; A204-W311 PolarHBondContact O-NE1 2.8Å
205G82.1Confident85.7Confident2 Ų244.8 Ų44.82%0.02125%0.251CS..G310 helixtrans-60.2-19.3177.800000115.4P168 L203 H308P168-G205 WeakPolarHBondContact O-CA 3.47Å; P168-G205 PolarHBondContact O-N 3Å; L203-G205 PolarHBondContact O-N 2.98Å; G205-H308 PolarHBondContact O-N 3.49Å
206T84.2Confident85.7Confident56 Ų5642 Ų4234%0.34424%0.239SC..G310 helixtrans-86.9-13.3177.568.60000113.4L203 A204L203-T206 HydrophobicContact CB-CG2 4.03Å; L203-T206 PolarHBondContact O-N 3.42Å; L203-T206 PolarHBondContact O-OG1 3.34Å; A204-T206 PolarHBondContact O-N 3.07Å; A204-T206 VanDerWaalsContact O-N 3.1Å
207I84.4Confident85.6Confident17 Ų1744.6 Ų44.69%0.08725%0.253CS..SBendtrans-104.8154.6-180-54.5173.1000108.1A172 A192 M196 Q202 A204 Y209 V211 V212 W311A172-I207 HydrophobicContact CB-CD1 4.43Å; A192-I207 HydrophobicContact CB-CG2 4.07Å; M196-I207 HydrophobicContact SD-CD1 4.43Å; Q202-I207 HydrophobicContact CB-CD1 4.07Å; A204-I207 PolarHBondContact O-N 3.14Å; I207-Y209 PolarHBondContact O-N 2.86Å; I207-V211 HydrophobicContact CG2-CB 4.36Å; I207-V211 HydrophobicContact CG2-CG1 4.25Å; I207-V212 HydrophobicContact CB-CG2 3.66Å; I207-V212 HydrophobicContact CG2-CG2 3.63Å; I207-W311 PolarHBondContact O-NE1 2.99Å
208E85.5Confident85.4Confident72 Ų7245.1 Ų45.134%0.33625%0.248SC..  trans-62.1132.6172.9-173.4-171.2162.200111.5N210 V211 V212E208-N210 PolarHBondContact O-N 3.24Å; E208-V211 HydrophobicContact CB-CB 4.18Å; E208-V211 HydrophobicContact CB-CG2 3.91Å; E208-V211 HydrophobicContact CG-CG2 4.29Å; E208-V211 WeakPolarHBondContact O-CB 3.35Å; E208-V211 PolarHBondContact O-N 2.8Å; E208-V211 VanDerWaalsContact O-N 3.1Å; E208-V212 PolarHBondContact O-N 3.32Å
209Y84.9Confident85.1Confident20 Ų2039.7 Ų39.78%0.07822%0.223CC..Hα-helixtrans-54.4-48-175.2-179.9-104.2000113.4I207 V211 V212 L213 S310 W311 A314I207-Y209 PolarHBondContact O-N 2.86Å; Y209-V211 VanDerWaalsContact C-N 3.3Å; Y209-V211 PolarHBondContact O-N 3.05Å; Y209-V212 PolarHBondContact O-N 3.1Å; Y209-L213 HydrophobicContact CD1-CD1 3.9Å; Y209-L213 HydrophobicContact CE1-CD1 3.28Å; Y209-L213 HydrophobicContact CE1-CG 4.22Å; Y209-L213 HydrophobicContact CE2-CD1 4.34Å; Y209-L213 PolarHBondContact O-N 3.1Å; Y209-S310 PolarHBondContact N-OG 3.12Å; Y209-S310 VanDerWaalsContact N-OG 3.15Å; Y209-W311 HydrophobicContact CD2-CD2 4.18Å; Y209-W311 AromaticContact CD2-CE3 3.86Å; Y209-W311 HydrophobicContact CD2-CE3 3.86Å; Y209-W311 AromaticContact CD2-CH2 3.66Å; Y209-W311 HydrophobicContact CD2-CH2 3.66Å; Y209-W311 AromaticContact CD2-CZ2 3.94Å; Y209-W311 HydrophobicContact CD2-CZ2 3.94Å; Y209-W311 AromaticContact CD2-CZ3 3.62Å; Y209-W311 HydrophobicContact CD2-CZ3 3.62Å; Y209-W311 HydrophobicContact CE2-CE3 4.47Å; Y209-W311 HydrophobicContact CE2-CH2 4.22Å; Y209-W311 AromaticContact CE2-CZ3 4Å; Y209-W311 HydrophobicContact CE2-CZ3 4Å; Y209-A314 HydrophobicContact CD1-CB 4.18Å; Y209-A314 HydrophobicContact CD2-CB 3.77Å; Y209-A314 HydrophobicContact CE1-CB 4.28Å; Y209-A314 HydrophobicContact CE2-CB 3.88Å; Y209-A314 HydrophobicContact CG-CB 3.93Å
210N86.1Confident85.2Confident100 Ų10036.4 Ų36.454%0.53520%0.199SC..Hα-helixtrans-66-32.8-179.7-63.5-35.3000112.5E208 S214E208-N210 PolarHBondContact O-N 3.24Å; N210-S214 WeakPolarHBondContact O-CB 3.14Å; N210-S214 PolarHBondContact O-N 3.35Å
211V85.9Confident85.3Confident12 Ų1235.5 Ų35.57%0.07319%0.188CC..Hα-helixtrans-69.3-42.7176.3176.30000110A188 E189 A192 I207 E208 Y209 L213 S214 L215A188-V211 HydrophobicContact CB-CG2 3.94Å; E189-V211 HydrophobicContact CG-CG1 4Å; A192-V211 HydrophobicContact CB-CG1 4.01Å; I207-V211 HydrophobicContact CG2-CB 4.36Å; I207-V211 HydrophobicContact CG2-CG1 4.25Å; E208-V211 HydrophobicContact CB-CB 4.18Å; E208-V211 HydrophobicContact CB-CG2 3.91Å; E208-V211 HydrophobicContact CG-CG2 4.29Å; E208-V211 WeakPolarHBondContact O-CB 3.35Å; E208-V211 PolarHBondContact O-N 2.8Å; E208-V211 VanDerWaalsContact O-N 3.1Å; Y209-V211 VanDerWaalsContact C-N 3.3Å; Y209-V211 PolarHBondContact O-N 3.05Å; V211-L213 PolarHBondContact O-N 2.99Å; V211-S214 PolarHBondContact O-N 3.33Å; V211-L215 HydrophobicContact CG1-CD1 3.89Å; V211-L215 HydrophobicContact CG1-CG 4.25Å; V211-L215 WeakPolarHBondContact O-CB 3.31Å; V211-L215 WeakPolarHBondContact O-CG 3.22Å; V211-L215 PolarHBondContact O-N 3.28Å
212V86.3Confident85.4Confident0 Ų032.3 Ų32.30%017%0.166CC..Hα-helixtrans-59.3-47.8175176.50000110.9V166 I207 E208 Y209 L215 Y216 I221 L223V166-V212 HydrophobicContact CG1-CG1 4.43Å; I207-V212 HydrophobicContact CB-CG2 3.66Å; I207-V212 HydrophobicContact CG2-CG2 3.63Å; E208-V212 PolarHBondContact O-N 3.32Å; Y209-V212 PolarHBondContact O-N 3.1Å; V212-L215 PolarHBondContact O-N 2.82Å; V212-Y216 WeakPolarHBondContact O-CB 3.21Å; V212-Y216 PolarHBondContact O-N 2.84Å; V212-I221 HydrophobicContact CG1-CD1 4.12Å; V212-L223 HydrophobicContact CG1-CD2 4.12Å
213L85.8Confident85.5Confident9 Ų931.2 Ų31.25%0.04716%0.161CC..Hα-helixtrans-62.6-44.6177.5-73.9177.1000112.6I164 V166 Y209 V211 Y216 N217I164-L213 HydrophobicContact CG1-CD2 4.15Å; I164-L213 WeakPolarHBondContact O-CD2 3.45Å; V166-L213 HydrophobicContact CG2-CD2 4.03Å; Y209-L213 HydrophobicContact CD1-CD1 3.9Å; Y209-L213 HydrophobicContact CE1-CD1 3.28Å; Y209-L213 HydrophobicContact CE1-CG 4.22Å; Y209-L213 HydrophobicContact CE2-CD1 4.34Å; Y209-L213 PolarHBondContact O-N 3.1Å; V211-L213 PolarHBondContact O-N 2.99Å; L213-Y216 PolarHBondContact O-N 3.32Å; L213-N217 WeakPolarHBondContact O-CB 3.07Å; L213-N217 PolarHBondContact O-N 3.34Å; L213-N217 PolarHBondContact O-ND2 3.37Å
214S86.8Confident85.5Confident37 Ų3730.5 Ų30.526%0.25916%0.158SC..Hα-helixtrans-62.6-45.7178.9-173.60000111.7E189 N210 V211 Y216 N217 R218E189-S214 VanDerWaalsContact OE1-CB 3.25Å; E189-S214 WeakPolarHBondContact OE1-CB 3.44Å; E189-S214 PolarHBondContact OE1-OG 3.16Å; N210-S214 WeakPolarHBondContact O-CB 3.14Å; N210-S214 PolarHBondContact O-N 3.35Å; V211-S214 PolarHBondContact O-N 3.33Å; S214-Y216 VanDerWaalsContact C-N 3.32Å; S214-Y216 PolarHBondContact O-N 3.46Å; S214-N217 PolarHBondContact O-N 3.37Å; S214-R218 WeakPolarHBondContact O-CB 3.14Å; S214-R218 WeakPolarHBondContact O-CG 3.34Å; S214-R218 PolarHBondContact O-N 3.2Å
215L86.6Confident85.6Confident1 Ų130.6 Ų30.61%0.00516%0.158CC..Hα-helixtrans-61.9-39.7176.4-71.8176.7000112E189 A192 I193 V211 V212 G219 F220 I221E189-L215 HydrophobicContact CB-CD2 3.82Å; E189-L215 HydrophobicContact CB-CG 4.42Å; E189-L215 HydrophobicContact CG-CD2 3.85Å; E189-L215 HydrophobicContact CG-CG 4.08Å; A192-L215 HydrophobicContact CB-CD1 4.07Å; I193-L215 HydrophobicContact CD1-CD2 3.73Å; I193-L215 HydrophobicContact CG1-CD1 4.42Å; I193-L215 HydrophobicContact CG1-CD2 3.97Å; V211-L215 HydrophobicContact CG1-CD1 3.89Å; V211-L215 HydrophobicContact CG1-CG 4.25Å; V211-L215 WeakPolarHBondContact O-CB 3.31Å; V211-L215 WeakPolarHBondContact O-CG 3.22Å; V211-L215 PolarHBondContact O-N 3.28Å; V212-L215 PolarHBondContact O-N 2.82Å; L215-G219 PolarHBondContact O-N 2.94Å; L215-F220 HydrophobicContact CD2-CB 4.26Å; L215-F220 HydrophobicContact CD2-CD2 3.98Å; L215-F220 PolarHBondContact O-N 2.76Å; L215-I221 HydrophobicContact CB-CD1 3.74Å; L215-I221 HydrophobicContact CB-CG1 3.78Å; L215-I221 HydrophobicContact CB-CG2 4.07Å; L215-I221 HydrophobicContact CD1-CG2 4.26Å
216Y86.4Confident85.8Confident30 Ų3032.8 Ų32.812%0.11817%0.172CC..Hα-helixtrans-67.7-46.4177.3-178.2-97.9000111.7I164 V212 L213 S214 R218 G219 L223I164-Y216 HydrophobicContact CD1-CD1 3.63Å; I164-Y216 HydrophobicContact CD1-CD2 4.45Å; I164-Y216 HydrophobicContact CD1-CE1 3.32Å; I164-Y216 HydrophobicContact CD1-CE2 4.2Å; I164-Y216 HydrophobicContact CD1-CG 4.19Å; I164-Y216 HydrophobicContact CG1-CD1 4.01Å; I164-Y216 HydrophobicContact CG1-CE1 3.9Å; I164-Y216 HydrophobicContact CG2-CE1 4.47Å; V212-Y216 WeakPolarHBondContact O-CB 3.21Å; V212-Y216 PolarHBondContact O-N 2.84Å; L213-Y216 PolarHBondContact O-N 3.32Å; S214-Y216 VanDerWaalsContact C-N 3.32Å; S214-Y216 PolarHBondContact O-N 3.46Å; Y216-R218 PolarHBondContact O-N 3.4Å; Y216-G219 WeakPolarHBondContact O-CA 3.24Å; Y216-G219 PolarHBondContact O-N 3.38Å; Y216-L223 HydrophobicContact CD2-CD1 3.8Å; Y216-L223 HydrophobicContact CD2-CG 3.97Å; Y216-L223 HydrophobicContact CE2-CD1 4.1Å; Y216-L223 HydrophobicContact CE2-CG 4.31Å; Y216-L223 HydrophobicContact CG-CD1 4.29Å
217N84.3Confident86Confident59 Ų5931 Ų3132%0.31616%0.16SC..Hα-helixtrans-63.2-31.1179.6-72.3-15000112.5P161 L213 S214 G219P161-N217 HydrophobicContact CG-CB 4.18Å; P161-N217 WeakPolarHBondContact CG-OD1 3.24Å; L213-N217 WeakPolarHBondContact O-CB 3.07Å; L213-N217 PolarHBondContact O-N 3.34Å; L213-N217 PolarHBondContact O-ND2 3.37Å; S214-N217 PolarHBondContact O-N 3.37Å; N217-G219 VanDerWaalsContact C-N 3.3Å
218R82Confident86.2Confident110 Ų11033.2 Ų33.242%0.41518%0.177SC..THydrogen-bonded Turntrans-80.4-8.8172.8-67.7179.7-177.6-156.80.4113.5I184 E189 S214 Y216 F220I184-R218 PolarHBondContact O-NH1 2.94Å; E189-R218 IonicContact OE1-CZ 3.83Å; E189-R218 IonicContact OE1-NE 3.36Å; E189-R218 IonicContact OE2-NH1 2.98Å; S214-R218 WeakPolarHBondContact O-CB 3.14Å; S214-R218 WeakPolarHBondContact O-CG 3.34Å; S214-R218 PolarHBondContact O-N 3.2Å; Y216-R218 PolarHBondContact O-N 3.4Å; R218-F220 VanDerWaalsContact C-N 3.3Å; R218-F220 HydrophobicContact CB-CD1 4.31Å; R218-F220 HydrophobicContact CB-CD2 3.79Å; R218-F220 HydrophobicContact CB-CE1 4.25Å; R218-F220 HydrophobicContact CB-CE2 3.73Å; R218-F220 HydrophobicContact CB-CG 4.09Å; R218-F220 HydrophobicContact CB-CZ 3.97Å; R218-F220 HydrophobicContact CG-CE2 4.25Å; R218-F220 PolarHBondContact O-N 2.91Å
219G79.7Confident86.3Confident18 Ų1832.9 Ų32.919%0.18618%0.177CC..THydrogen-bonded Turntrans73.917.5-178.600000114.4L215 Y216 N217L215-G219 PolarHBondContact O-N 2.94Å; Y216-G219 WeakPolarHBondContact O-CA 3.24Å; Y216-G219 PolarHBondContact O-N 3.38Å; N217-G219 VanDerWaalsContact C-N 3.3Å
220F84.9Confident86.4Confident14 Ų1438.2 Ų38.26%0.06121%0.207CC..SBendtrans-80.5-21.3178.9-61.5-24.1000112.8G175 I177 D181 C185 L215 R218G175-F220 WeakPolarHBondContact CA-O 3.3Å; G175-F220 PolarHBondContact N-O 3.49Å; I177-F220 HydrophobicContact CD1-CB 4.32Å; I177-F220 HydrophobicContact CG1-CB 4.13Å; D181-F220 HydrophobicContact CB-CD1 4.49Å; D181-F220 HydrophobicContact CB-CE1 3.66Å; D181-F220 HydrophobicContact CB-CZ 3.74Å; C185-F220 WeakPolarHBondContact SG-CE2 3.43Å; L215-F220 HydrophobicContact CD2-CB 4.26Å; L215-F220 HydrophobicContact CD2-CD2 3.98Å; L215-F220 PolarHBondContact O-N 2.76Å; R218-F220 VanDerWaalsContact C-N 3.3Å; R218-F220 HydrophobicContact CB-CD1 4.31Å; R218-F220 HydrophobicContact CB-CD2 3.79Å; R218-F220 HydrophobicContact CB-CE1 4.25Å; R218-F220 HydrophobicContact CB-CE2 3.73Å; R218-F220 HydrophobicContact CB-CG 4.09Å; R218-F220 HydrophobicContact CB-CZ 3.97Å; R218-F220 HydrophobicContact CG-CE2 4.25Å; R218-F220 PolarHBondContact O-N 2.91Å
221I87.9Confident86.3Confident4 Ų433.8 Ų33.82%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-127.7156.6173.866.2172.7000110.5A172 Q173 M196 V212 L215 L223A172-I221 HydrophobicContact CB-CD1 4.22Å; Q173-I221 CarbonylContact O-C 3.54Å; Q173-I221 WeakPolarHBondContact O-CA 3.31Å; Q173-I221 VanDerWaalsContact O-CB 3.3Å; Q173-I221 WeakPolarHBondContact O-CB 3.28Å; M196-I221 HydrophobicContact CE-CG2 3.47Å; M196-I221 VanDerWaalsContact CE-CG2 3.47Å; M196-I221 HydrophobicContact SD-CG2 4.15Å; V212-I221 HydrophobicContact CG1-CD1 4.12Å; L215-I221 HydrophobicContact CB-CD1 3.74Å; L215-I221 HydrophobicContact CB-CG1 3.78Å; L215-I221 HydrophobicContact CB-CG2 4.07Å; L215-I221 HydrophobicContact CD1-CG2 4.26Å; I221-L223 HydrophobicContact CD1-CD2 4.31Å
222Y88.9Confident86.3Confident14 Ų1435 Ų356%0.05519%0.193CC..EExtended strand (participates in β ladder)trans-120.5153.6160.562.4-86000109.6D84 V87 K88 Q173 T174D84-Y222 WeakPolarHBondContact CA-OH 3.49Å; V87-Y222 HydrophobicContact CB-CD1 3.88Å; V87-Y222 HydrophobicContact CB-CE1 4.49Å; V87-Y222 HydrophobicContact CB-CG 4.44Å; V87-Y222 HydrophobicContact CG1-CD1 3.92Å; V87-Y222 HydrophobicContact CG2-CD1 4.34Å; V87-Y222 HydrophobicContact CG2-CG 4.41Å; K88-Y222 HydrophobicContact CD-CE1 4.26Å; K88-Y222 VanDerWaalsContact CE-OH 3.26Å; K88-Y222 WeakPolarHBondContact CE-OH 3.39Å; K88-Y222 HydrophobicContact CG-CE1 3.99Å; K88-Y222 PolarHBondContact NZ-OH 3.38Å; Q173-Y222 HydrophobicContact CB-CD1 4.33Å; Q173-Y222 HydrophobicContact CB-CD2 4.18Å; Q173-Y222 HydrophobicContact CB-CE1 3.81Å; Q173-Y222 HydrophobicContact CB-CE2 3.62Å; Q173-Y222 VanDerWaalsContact CB-CZ 3.41Å; Q173-Y222 HydrophobicContact CG-CE2 4.09Å; Q173-Y222 PolarHBondContact N-O 3.17Å; Q173-Y222 PolarHBondContact O-N 2.77Å; Q173-Y222 PolarHBondContact OE1-OH 3.19Å; T174-Y222 WeakPolarHBondContact O-CE1 3.39Å
223L89.4Confident86.4Confident6 Ų635.2 Ų35.23%0.03119%0.194CC..EExtended strand (participates in β ladder)trans-104.3123.5-176.6-62.4167.9000108.7I164 V166 W170 A172 V212 Y216 I221 R291I164-L223 HydrophobicContact CD1-CD1 3.89Å; V166-L223 HydrophobicContact CG1-CD1 4.04Å; V166-L223 HydrophobicContact CG2-CD1 3.68Å; W170-L223 HydrophobicContact CE3-CB 4.07Å; W170-L223 HydrophobicContact CE3-CD1 3.93Å; W170-L223 HydrophobicContact CZ3-CD1 4.18Å; A172-L223 HydrophobicContact CB-CD2 4.11Å; V212-L223 HydrophobicContact CG1-CD2 4.12Å; Y216-L223 HydrophobicContact CD2-CD1 3.8Å; Y216-L223 HydrophobicContact CD2-CG 3.97Å; Y216-L223 HydrophobicContact CE2-CD1 4.1Å; Y216-L223 HydrophobicContact CE2-CG 4.31Å; Y216-L223 HydrophobicContact CG-CD1 4.29Å; I221-L223 HydrophobicContact CD1-CD2 4.31Å; L223-R291 VanDerWaalsContact O-CZ 3.29Å; L223-R291 PolarHBondContact O-NH1 3.5Å; L223-R291 PolarHBondContact O-NH2 3.5Å
224D87.8Confident86.3Confident60 Ų6035.9 Ų35.932%0.32120%0.199SC..EExtended strand (participates in β ladder)trans-96.4145170.5-161.112.6000111W170 V171 P226 R291W170-D224 WeakPolarHBondContact CA-O 3.43Å; V171-D224 HydrophobicContact CB-CB 4.33Å; V171-D224 PolarHBondContact N-O 3.47Å; V171-D224 PolarHBondContact O-N 3.29Å; D224-P226 WeakPolarHBondContact O-CD 3.3Å; D224-R291 VanDerWaalsContact CA-NH2 3.31Å; D224-R291 IonicContact OD1-NH2 2.95Å; D224-R291 PolarHBondContact OD1-NH2 3.23Å
225V88.8Confident86.1Confident2 Ų235.2 Ų35.21%0.01219%0.193CC..  trans-120.687.7-175.91750000106.8W169 W170 I227 S287 C290 R291W169-V225 HydrophobicContact CH2-CB 4.47Å; W169-V225 HydrophobicContact CH2-CG1 3.22Å; W169-V225 HydrophobicContact CZ2-CG1 4.08Å; W169-V225 HydrophobicContact CZ3-CB 4.45Å; W169-V225 HydrophobicContact CZ3-CG1 3.57Å; W170-V225 HydrophobicContact CD2-CG2 3.6Å; W170-V225 HydrophobicContact CE3-CG2 4.15Å; W170-V225 HydrophobicContact CG-CG2 3.77Å; W170-V225 HydrophobicContact CZ2-CG2 4.19Å; V225-I227 HydrophobicContact CG1-CD1 4.44Å; V225-I227 PolarHBondContact O-N 3.29Å; V225-S287 WeakPolarHBondContact CB-OG 3.44Å; V225-S287 PolarHBondContact O-OG 3.08Å; V225-C290 HydrophobicContact CG1-CB 3.9Å; V225-R291 HydrophobicContact CB-CG 4.16Å; V225-R291 HydrophobicContact CG2-CG 3.6Å; V225-R291 VanDerWaalsContact CG2-CZ 3.43Å; V225-R291 VanDerWaalsContact N-NH2 3.13Å
226P86.4Confident85.8Confident48 Ų4836.5 Ų36.531%0.31220%0.202SC..  trans-76.5123-169.430.1-36.4000112.2W169 V171 D224W169-P226 HydrophobicContact CE3-CG 4.21Å; W169-P226 HydrophobicContact CZ3-CG 4.3Å; W169-P226 WeakPolarHBondContact CZ3-O 3.46Å; V171-P226 HydrophobicContact CG2-CG 3.82Å; D224-P226 WeakPolarHBondContact O-CD 3.3Å
227I88.1Confident85.4Confident18 Ų1836.7 Ų36.79%0.09221%0.207CC..  trans-108.5122.4176.4-54.4-57.7000109.3W169 V225 V268 K283 V286W169-I227 HydrophobicContact CH2-CD1 3.98Å; W169-I227 HydrophobicContact CZ3-CD1 4.29Å; V225-I227 HydrophobicContact CG1-CD1 4.44Å; V225-I227 PolarHBondContact O-N 3.29Å; I227-V268 HydrophobicContact CG2-CG1 4.45Å; I227-V268 HydrophobicContact CG2-CG2 3.82Å; I227-K283 HydrophobicContact CB-CB 4.49Å; I227-K283 HydrophobicContact CB-CG 4.46Å; I227-K283 HydrophobicContact CG2-CG 4.43Å; I227-V286 HydrophobicContact CD1-CG1 3.94Å; I227-V286 HydrophobicContact CG1-CB 4.41Å; I227-V286 HydrophobicContact CG1-CG1 3.97Å; I227-V286 HydrophobicContact CG2-CB 4.46Å; I227-V286 HydrophobicContact CG2-CG1 3.98Å
228S87.1Confident85.1Confident63 Ų6334 Ų3444%0.44119%0.193SC..  trans-86.6153.7175.3-48.30000110.4D230 S231S228-D230 VanDerWaalsContact C-N 3.26Å; S228-D230 PolarHBondContact O-N 2.73Å; S228-S231 WeakPolarHBondContact CA-OG 3.33Å; S228-S231 WeakPolarHBondContact CB-OG 3.33Å; S228-S231 PolarHBondContact N-OG 2.51Å; S228-S231 WeakPolarHBondContact O-CB 3.18Å; S228-S231 PolarHBondContact O-N 2.7Å; S228-S231 PolarHBondContact O-OG 2.82Å
229D88.9Confident84.4Confident65 Ų6535 Ų3535%0.34820%0.202SC..THydrogen-bonded Turntrans-57.9-38.2-177.6-58.424.3000112.2S231 V268 A269 K283D229-S231 VanDerWaalsContact C-N 3.32Å; D229-S231 PolarHBondContact O-N 3.43Å; D229-V268 PolarHBondContact O-N 2.86Å; D229-A269 HydrophobicContact CB-CB 4.29Å; D229-A269 PolarHBondContact O-N 3.34Å; D229-K283 WeakPolarHBondContact OD1-CE 3.47Å; D229-K283 IonicContact OD1-NZ 3.28Å; D229-K283 PolarHBondContact OD1-NZ 2.8Å; D229-K283 IonicContact OD2-NZ 2.74Å
230D86.3Confident83.6Confident132 Ų13236.6 Ų36.671%0.70622%0.219SC*.THydrogen-bonded Turntrans-87.25.9179.8-52.9-49.3000113.7S228 C232S228-D230 VanDerWaalsContact C-N 3.26Å; S228-D230 PolarHBondContact O-N 2.73Å; D230-C232 PolarHBondContact O-N 3.26Å
231S85Confident83.2Confident7 Ų737.1 Ų37.15%0.04922%0.221CC..  trans-69.8130-178.3-51.90000110.5S228 D229 V268 K297S228-S231 WeakPolarHBondContact CA-OG 3.33Å; S228-S231 WeakPolarHBondContact CB-OG 3.33Å; S228-S231 PolarHBondContact N-OG 2.51Å; S228-S231 WeakPolarHBondContact O-CB 3.18Å; S228-S231 PolarHBondContact O-N 2.7Å; S228-S231 PolarHBondContact O-OG 2.82Å; D229-S231 VanDerWaalsContact C-N 3.32Å; D229-S231 PolarHBondContact O-N 3.43Å; S231-V268 WeakPolarHBondContact O-CG2 3.35Å; S231-V268 PolarHBondContact O-N 3.41Å; S231-K297 VanDerWaalsContact OG-CE 3.24Å; S231-K297 WeakPolarHBondContact OG-CE 3.32Å; S231-K297 PolarHBondContact OG-NZ 3.31Å
232C86Confident82.5Confident37 Ų3737.9 Ų37.925%0.2523%0.226CC..BIsolated β-bridgetrans-93.7139.6166.6-630000110.2D230 E264 K298D230-C232 PolarHBondContact O-N 3.26Å; C232-E264 WeakPolarHBondContact CB-O 3.3Å; C232-K298 HydrophobicContact CB-CB 4.25Å; C232-K298 WeakPolarHBondContact O-CB 3.21Å; C232-K298 PolarHBondContact O-N 2.81Å
233I86.4Confident81.7Confident6 Ų641.1 Ų41.13%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-122.5135.1-173.3-53.8-65.9000108.7V268 V286 A295 K297I233-V268 HydrophobicContact CG1-CG2 4.21Å; I233-V286 HydrophobicContact CD1-CG1 3.43Å; I233-V286 VanDerWaalsContact CD1-CG1 3.43Å; I233-V286 HydrophobicContact CG1-CG1 3.53Å; I233-V286 HydrophobicContact CG2-CG1 4.37Å; I233-A295 HydrophobicContact CG2-CB 3.57Å; I233-K297 HydrophobicContact CD1-CB 4.3Å; I233-K297 HydrophobicContact CD1-CG 4.38Å
234S84.3Confident81.1Confident23 Ų2341.3 Ų41.316%0.16124%0.243CC..EExtended strand (participates in β ladder)trans-113.9139.3173.81730000109.8P236 E264 A295 V296S234-P236 WeakPolarHBondContact O-CD 3.05Å; S234-E264 VanDerWaalsContact CB-OE1 3.25Å; S234-E264 WeakPolarHBondContact CB-OE1 3.46Å; S234-E264 PolarHBondContact OG-OE1 3.15Å; S234-A295 CarbonylContact O-C 3.57Å; S234-A295 WeakPolarHBondContact O-CA 3.24Å; S234-V296 PolarHBondContact N-O 3.39Å; S234-V296 PolarHBondContact O-N 3Å
235V83.9Confident79.9Confident22 Ų2250.2 Ų50.213%0.13327%0.273CS..  trans-108.899.3177.51790000107.7F259 I262 A295 V407V235-F259 HydrophobicContact CG1-CE1 4.45Å; V235-I262 HydrophobicContact CG2-CB 4.34Å; V235-I262 HydrophobicContact CG2-CD1 4.18Å; V235-I262 HydrophobicContact CG2-CG2 3.81Å; V235-A295 HydrophobicContact CG2-CB 4.34Å; V235-V407 HydrophobicContact CG1-CG2 4.4Å
236P79.7Confident78.6Confident28 Ų2853.1 Ų53.118%0.18229%0.29CS..  trans-68.3166.8173.428.3-34.4000111.4S234 L238 F294 V296S234-P236 WeakPolarHBondContact O-CD 3.05Å; P236-L238 PolarHBondContact O-N 2.89Å; P236-F294 WeakPolarHBondContact CD-O 3.43Å; P236-V296 HydrophobicContact CG-CG2 4.36Å
237P77.1Confident77.3Confident34 Ų3459.7 Ų59.722%0.22132%0.317CS..  trans-52.3132.2173.7-24.534.5000111.2E239 H400 T403 T414P237-E239 PolarHBondContact O-N 2.84Å; P237-H400 VanDerWaalsContact CG-CE1 3.42Å; P237-H400 WeakPolarHBondContact CG-CE1 3.28Å; P237-T403 WeakPolarHBondContact CA-OG1 3.45Å; P237-T414 HydrophobicContact CG-CG2 4.21Å
238L77.9Confident75.9Confident4 Ų459.8 Ų59.82%0.02132%0.322CS..  trans-72.6114.6-179.2-62-176.6000109.9P236 F241 F294 T403 E406 V407P236-L238 PolarHBondContact O-N 2.89Å; L238-F241 HydrophobicContact CB-CB 4.18Å; L238-F241 HydrophobicContact CD1-CB 4.33Å; L238-F241 HydrophobicContact CD1-CD2 3.75Å; L238-F241 HydrophobicContact CD1-CE2 4.24Å; L238-F241 HydrophobicContact CD1-CG 4.07Å; L238-F294 HydrophobicContact CD2-CB 3.99Å; L238-F294 HydrophobicContact CD2-CD1 3.7Å; L238-F294 HydrophobicContact CD2-CE1 4.45Å; L238-F294 HydrophobicContact CD2-CG 4Å; L238-T403 HydrophobicContact CG-CG2 4.4Å; L238-T403 PolarHBondContact N-OG1 2.95Å; L238-E406 HydrophobicContact CD1-CB 4.19Å; L238-V407 HydrophobicContact CD1-CG2 3.47Å; L238-V407 VanDerWaalsContact CD1-CG2 3.47Å; L238-V407 HydrophobicContact CD2-CG2 4.47Å; L238-V407 HydrophobicContact CG-CG2 3.9Å
239E67Low75.1Confident129 Ų12958.4 Ų58.460%0.60331%0.31SS*.SBendtrans-103.6130.9170.4-68.4179.4-179.800109.8P237 F241P237-E239 PolarHBondContact O-N 2.84Å; E239-F241 VanDerWaalsContact C-N 3.31Å; E239-F241 PolarHBondContact O-N 2.98Å
240G63.8Low74.6Confident53 Ų5359.5 Ų59.555%0.54631%0.31SS..SBendtrans6922.7176.800000115.2V242G240-V242 PolarHBondContact O-N 2.66Å
241F76.1Confident74.6Confident24 Ų2454.6 Ų54.611%0.10528%0.282CS..  trans-62.2134.6176.1-169.1-94.1000111.3N117 F118 L238 E239 F294 V402 E406N117-F241 HydrophobicContact CB-CE1 4.24Å; N117-F241 HydrophobicContact CB-CZ 4.14Å; F118-F241 HydrophobicContact CE1-CE2 4.33Å; L238-F241 HydrophobicContact CB-CB 4.18Å; L238-F241 HydrophobicContact CD1-CB 4.33Å; L238-F241 HydrophobicContact CD1-CD2 3.75Å; L238-F241 HydrophobicContact CD1-CE2 4.24Å; L238-F241 HydrophobicContact CD1-CG 4.07Å; E239-F241 VanDerWaalsContact C-N 3.31Å; E239-F241 PolarHBondContact O-N 2.98Å; F241-F294 AromaticContact CD2-CE1 3.77Å; F241-F294 HydrophobicContact CD2-CE1 3.77Å; F241-F294 HydrophobicContact CD2-CE2 4.04Å; F241-F294 AromaticContact CD2-CZ 3.5Å; F241-F294 HydrophobicContact CD2-CZ 3.5Å; F241-F294 VanDerWaalsContact CD2-CZ 3.5Å; F241-F294 HydrophobicContact CE2-CE1 4.39Å; F241-F294 AromaticContact CE2-CE2 3.82Å; F241-F294 HydrophobicContact CE2-CE2 3.82Å; F241-F294 AromaticContact CE2-CZ 3.74Å; F241-F294 HydrophobicContact CE2-CZ 3.74Å; F241-V402 HydrophobicContact CB-CG1 4.14Å; F241-E406 HydrophobicContact CD1-CB 4.36Å; F241-E406 HydrophobicContact CD1-CG 3.69Å; F241-E406 HydrophobicContact CE1-CB 4.14Å; F241-E406 HydrophobicContact CE1-CG 3.61Å; F241-E406 WeakPolarHBondContact CE1-OE2 3.42Å; F241-E406 HydrophobicContact CZ-CG 4.43Å
242V73Confident74.6Confident20 Ų2054.5 Ų54.512%0.12128%0.281CS..  trans-91.7109.3179.9-175.60000109.1Y112 A120 L124 G240Y112-V242 HydrophobicContact CE1-CG1 4.05Å; A120-V242 HydrophobicContact CB-CB 4.18Å; A120-V242 HydrophobicContact CB-CG1 3.61Å; L124-V242 HydrophobicContact CD2-CG2 3.82Å; G240-V242 PolarHBondContact O-N 2.66Å
243M72.4Confident74.5Confident82 Ų8256 Ų5640%0.40429%0.289SS..  trans-101100.5179-175.6-169.9-53.200110.6F405 E406M243-F405 HydrophobicContact CE-CD1 3.8Å; M243-F405 HydrophobicContact CE-CE1 4.19Å; M243-F405 HydrophobicContact SD-CD1 4.31Å; M243-F405 HydrophobicContact SD-CE1 4.08Å; M243-E406 HydrophobicContact CE-CG 4.01Å; M243-E406 VanDerWaalsContact CE-OE1 3.25Å; M243-E406 WeakPolarHBondContact CE-OE1 3.33Å; M243-E406 VanDerWaalsContact CG-OE1 3.25Å; M243-E406 WeakPolarHBondContact CG-OE1 3.48Å
244N76.8Confident74.6Confident10 Ų1056 Ų565%0.05329%0.289CS..  trans-100.8150.9168.5-64.5-21.6000109.7Y112 L115 N117 V246Y112-N244 PolarHBondContact O-ND2 3Å; L115-N244 VanDerWaalsContact O-CB 3.24Å; L115-N244 WeakPolarHBondContact O-CB 3.46Å; L115-N244 PolarHBondContact O-ND2 3.36Å; N117-N244 PolarHBondContact ND2-O 3.12Å; N117-N244 VanDerWaalsContact OD1-CA 3.26Å; N117-N244 WeakPolarHBondContact OD1-CA 3.47Å; N117-N244 VanDerWaalsContact OD1-CB 3.26Å; N117-N244 WeakPolarHBondContact OD1-CB 3.42Å; N117-N244 PolarHBondContact OD1-N 2.98Å; N117-N244 PolarHBondContact OD1-O 3.14Å; N244-V246 PolarHBondContact O-N 2.79Å; N244-V246 VanDerWaalsContact O-N 3.14Å
245R63.8Low74.8Confident248 Ų24855 Ų5594%0.93628%0.282SS*.SBendtrans-80.713.6-171.6-65.1-177.5177.7175.8-2114.4
246V60.7Low75Confident63 Ų6356.6 Ų56.638%0.38229%0.286SS..SBendtrans-113.8120-171.2-177.30000109.2D113 N244 G248D113-V246 VanDerWaalsContact O-CG2 3.28Å; D113-V246 WeakPolarHBondContact O-CG2 3.42Å; N244-V246 PolarHBondContact O-N 2.79Å; N244-V246 VanDerWaalsContact O-N 3.14Å; V246-G248 PolarHBondContact O-N 3Å
247Q59.5Low75.4Confident186 Ų18657.4 Ų57.487%0.86929%0.287SS*.  trans-64.2123.2169-71.1-175.7-17.800108.9
248G58.8Low75.9Confident20 Ų2055.8 Ų55.821%0.20628%0.276CS..  trans-72-162.1-179.200000114.5V246V246-G248 PolarHBondContact O-N 3Å
249D70.4Confident76.4Confident33 Ų3355.7 Ų55.718%0.17628%0.275CS..  trans-73.7-171.9-177.76323.6000113.5M76 F251 E252 T253M76-D249 VanDerWaalsContact CB-OD2 3.29Å; M76-D249 WeakPolarHBondContact CB-OD2 3.38Å; M76-D249 HydrophobicContact CE-CB 3.89Å; M76-D249 WeakPolarHBondContact CE-OD2 3.26Å; M76-D249 HydrophobicContact CG-CB 4.25Å; M76-D249 VanDerWaalsContact CG-OD2 3.24Å; M76-D249 WeakPolarHBondContact CG-OD2 3.24Å; D249-F251 PolarHBondContact O-N 3.27Å; D249-F251 WeakPolarHBondContact OD1-CA 3.36Å; D249-F251 WeakPolarHBondContact OD1-CB 3.34Å; D249-F251 PolarHBondContact OD1-N 3.39Å; D249-E252 PolarHBondContact O-N 3.18Å; D249-E252 PolarHBondContact OD1-N 3.23Å; D249-T253 PolarHBondContact O-N 3.49Å; D249-T253 VanDerWaalsContact O-N 3.12Å; D249-T253 PolarHBondContact O-OG1 2.73Å
250Y78.9Confident77.2Confident88 Ų8850 Ų5035%0.34525%0.249SC..Hα-helixtrans-55.9-35.9175.6171-97.3000112.5N44 L254N44-Y250 WeakPolarHBondContact OD1-CD1 3.38Å; N44-Y250 WeakPolarHBondContact OD1-CE1 3.5Å; Y250-L254 PolarHBondContact O-N 2.74Å; Y250-L254 VanDerWaalsContact O-N 3.1Å
251F84.6Confident78.2Confident30 Ų3047.6 Ų47.613%0.13222%0.224CC..Hα-helixtrans-75-39.7-177.8-170.7-113000111.1L77 D249 T253 L254 L255 A285 M288L77-F251 HydrophobicContact CD2-CD1 3.95Å; L77-F251 HydrophobicContact CD2-CE1 3.72Å; D249-F251 PolarHBondContact O-N 3.27Å; D249-F251 WeakPolarHBondContact OD1-CA 3.36Å; D249-F251 WeakPolarHBondContact OD1-CB 3.34Å; D249-F251 PolarHBondContact OD1-N 3.39Å; F251-T253 VanDerWaalsContact C-N 3.33Å; F251-T253 PolarHBondContact O-N 2.94Å; F251-L254 HydrophobicContact CD2-CD2 4.12Å; F251-L254 HydrophobicContact CE2-CD2 4.26Å; F251-L254 CarbonylContact O-C 3.6Å; F251-L254 WeakPolarHBondContact O-CA 3.49Å; F251-L254 WeakPolarHBondContact O-CB 3.27Å; F251-L254 PolarHBondContact O-N 3.32Å; F251-L254 VanDerWaalsContact O-N 3.12Å; F251-L255 HydrophobicContact CD1-CD1 3.95Å; F251-L255 HydrophobicContact CD1-CG 4.21Å; F251-L255 HydrophobicContact CE1-CD1 3.83Å; F251-L255 HydrophobicContact CE1-CD2 4.02Å; F251-L255 HydrophobicContact CE1-CG 4.03Å; F251-L255 HydrophobicContact CZ-CD2 4.03Å; F251-L255 HydrophobicContact CZ-CG 4.39Å; F251-L255 WeakPolarHBondContact O-CG 3.26Å; F251-L255 PolarHBondContact O-N 3.46Å; F251-A285 HydrophobicContact CZ-CB 4.48Å; F251-M288 HydrophobicContact CE1-CG 4.1Å; F251-M288 HydrophobicContact CZ-CG 4.14Å
252E85.4Confident78.7Confident5 Ų547 Ų472%0.02322%0.222CC..Hα-helixtrans-59.7-42.8172.8-177.3142.6164.200112.4P116 N117 F118 D249 L254 L255 Y256P116-E252 WeakPolarHBondContact CB-OE2 3.47Å; N117-E252 WeakPolarHBondContact CB-OE1 3.42Å; N117-E252 PolarHBondContact N-OE1 2.92Å; N117-E252 PolarHBondContact N-OE2 2.84Å; F118-E252 HydrophobicContact CD2-CB 4.33Å; F118-E252 HydrophobicContact CD2-CG 3.66Å; F118-E252 HydrophobicContact CE2-CG 3.91Å; D249-E252 PolarHBondContact O-N 3.18Å; D249-E252 PolarHBondContact OD1-N 3.23Å; E252-L254 VanDerWaalsContact C-N 3.3Å; E252-L254 PolarHBondContact O-N 3.05Å; E252-L255 WeakPolarHBondContact O-CB 3.25Å; E252-L255 PolarHBondContact O-N 3.13Å; E252-Y256 HydrophobicContact CG-CD2 3.96Å; E252-Y256 HydrophobicContact CG-CE2 3.76Å; E252-Y256 VanDerWaalsContact O-CD2 3.28Å; E252-Y256 WeakPolarHBondContact O-CD2 3.41Å; E252-Y256 PolarHBondContact O-N 3.07Å
253T85.3Confident79.2Confident67 Ų6746.4 Ų46.441%0.41122%0.218SC..Hα-helixtrans-60.7-42.6174.3-54.40000110.9D249 F251 Y256 K257D249-T253 PolarHBondContact O-N 3.49Å; D249-T253 VanDerWaalsContact O-N 3.12Å; D249-T253 PolarHBondContact O-OG1 2.73Å; F251-T253 VanDerWaalsContact C-N 3.33Å; F251-T253 PolarHBondContact O-N 2.94Å; T253-Y256 PolarHBondContact O-N 3.16Å; T253-K257 WeakPolarHBondContact O-CG 3.43Å; T253-K257 PolarHBondContact O-N 3.18Å
254L87.7Confident79.6Confident8 Ų843.6 Ų43.64%0.04220%0.204CC..Hα-helixtrans-62.2-41.7175.317363.5000112Y250 F251 E252 K257 I258 I277 L281Y250-L254 PolarHBondContact O-N 2.74Å; Y250-L254 VanDerWaalsContact O-N 3.1Å; F251-L254 HydrophobicContact CD2-CD2 4.12Å; F251-L254 HydrophobicContact CE2-CD2 4.26Å; F251-L254 CarbonylContact O-C 3.6Å; F251-L254 WeakPolarHBondContact O-CA 3.49Å; F251-L254 WeakPolarHBondContact O-CB 3.27Å; F251-L254 PolarHBondContact O-N 3.32Å; F251-L254 VanDerWaalsContact O-N 3.12Å; E252-L254 VanDerWaalsContact C-N 3.3Å; E252-L254 PolarHBondContact O-N 3.05Å; L254-K257 PolarHBondContact O-N 2.92Å; L254-I258 HydrophobicContact CD1-CD1 3.79Å; L254-I258 HydrophobicContact CD1-CG1 4.13Å; L254-I258 HydrophobicContact CG-CD1 3.89Å; L254-I258 WeakPolarHBondContact O-CG1 3.23Å; L254-I258 PolarHBondContact O-N 3.42Å; L254-I277 HydrophobicContact CD1-CD1 3.35Å; L254-I277 HydrophobicContact CD1-CG1 4.49Å; L254-I277 HydrophobicContact CD1-CG2 4.06Å; L254-L281 HydrophobicContact CD2-CB 4.21Å
255L89.1Confident79.7Confident1 Ų147 Ų471%0.00522%0.219CC..Hα-helixtrans-56.5-56.5175.2-69.9175.8000109.2F118 F251 E252 K257 I258 F259 A285 Y289F118-L255 HydrophobicContact CB-CD1 4.06Å; F118-L255 HydrophobicContact CD1-CD1 3.83Å; F118-L255 HydrophobicContact CD2-CB 4.23Å; F118-L255 HydrophobicContact CD2-CD1 3.51Å; F118-L255 HydrophobicContact CE1-CB 4.42Å; F118-L255 HydrophobicContact CE1-CD1 4.13Å; F118-L255 HydrophobicContact CE2-CB 3.66Å; F118-L255 HydrophobicContact CE2-CD1 3.82Å; F118-L255 HydrophobicContact CE2-CG 4.4Å; F118-L255 HydrophobicContact CG-CD1 3.51Å; F118-L255 HydrophobicContact CZ-CB 3.77Å; F118-L255 HydrophobicContact CZ-CD1 4.12Å; F251-L255 HydrophobicContact CD1-CD1 3.95Å; F251-L255 HydrophobicContact CD1-CG 4.21Å; F251-L255 HydrophobicContact CE1-CD1 3.83Å; F251-L255 HydrophobicContact CE1-CD2 4.02Å; F251-L255 HydrophobicContact CE1-CG 4.03Å; F251-L255 HydrophobicContact CZ-CD2 4.03Å; F251-L255 HydrophobicContact CZ-CG 4.39Å; F251-L255 WeakPolarHBondContact O-CG 3.26Å; F251-L255 PolarHBondContact O-N 3.46Å; E252-L255 WeakPolarHBondContact O-CB 3.25Å; E252-L255 PolarHBondContact O-N 3.13Å; L255-K257 VanDerWaalsContact C-N 3.31Å; L255-K257 PolarHBondContact O-N 3.06Å; L255-I258 CarbonylContact O-C 3.55Å; L255-I258 WeakPolarHBondContact O-CA 3.3Å; L255-I258 WeakPolarHBondContact O-CB 3.3Å; L255-I258 PolarHBondContact O-N 3.43Å; L255-F259 PolarHBondContact O-N 2.9Å; L255-A285 HydrophobicContact CD2-CB 3.66Å; L255-Y289 WeakPolarHBondContact CA-OH 3.4Å; L255-Y289 HydrophobicContact CB-CE1 4.2Å; L255-Y289 VanDerWaalsContact CB-OH 3.23Å; L255-Y289 WeakPolarHBondContact CB-OH 3.28Å; L255-Y289 HydrophobicContact CD2-CD1 4.47Å; L255-Y289 HydrophobicContact CD2-CE1 3.75Å; L255-Y289 HydrophobicContact CD2-CE2 4.34Å; L255-Y289 HydrophobicContact CG-CE1 4.4Å; L255-Y289 PolarHBondContact O-OH 3.26Å
256Y87.6Confident80.7Confident55 Ų5535.8 Ų35.822%0.21618%0.179CC..Hα-helixtrans-55.3-41.8178.6-78.6-68000113.6N117 F118 E252 T253 I258 F259 V260 E406N117-Y256 PolarHBondContact ND2-OH 2.95Å; F118-Y256 AromaticContact CE2-CD2 3.98Å; F118-Y256 HydrophobicContact CE2-CD2 3.98Å; F118-Y256 AromaticContact CE2-CE2 3.67Å; F118-Y256 HydrophobicContact CE2-CE2 3.67Å; F118-Y256 HydrophobicContact CZ-CE2 4.43Å; E252-Y256 HydrophobicContact CG-CD2 3.96Å; E252-Y256 HydrophobicContact CG-CE2 3.76Å; E252-Y256 VanDerWaalsContact O-CD2 3.28Å; E252-Y256 WeakPolarHBondContact O-CD2 3.41Å; E252-Y256 PolarHBondContact O-N 3.07Å; T253-Y256 PolarHBondContact O-N 3.16Å; Y256-I258 VanDerWaalsContact C-N 3.31Å; Y256-I258 PolarHBondContact O-N 3.28Å; Y256-F259 HydrophobicContact CD1-CD2 4.48Å; Y256-F259 PolarHBondContact O-N 3.41Å; Y256-V260 WeakPolarHBondContact O-CG2 3.26Å; Y256-V260 PolarHBondContact O-N 3.38Å; Y256-E406 WeakPolarHBondContact CE1-O 3.35Å; Y256-E406 PolarHBondContact OH-OE2 3.42Å
257K87.3Confident82.1Confident46 Ų4634.1 Ų34.120%0.217%0.168CC..Hα-helixtrans-58.4-42.1174.2-70.2-169.1175.8-165.90112.4T253 L254 L255 S261 G481 L482 D483T253-K257 WeakPolarHBondContact O-CG 3.43Å; T253-K257 PolarHBondContact O-N 3.18Å; L254-K257 PolarHBondContact O-N 2.92Å; L255-K257 VanDerWaalsContact C-N 3.31Å; L255-K257 PolarHBondContact O-N 3.06Å; K257-S261 WeakPolarHBondContact O-CB 3.4Å; K257-S261 PolarHBondContact O-OG 3.39Å; K257-G481 WeakPolarHBondContact CE-O 3.42Å; K257-L482 HydrophobicContact CB-CD2 3.74Å; K257-L482 HydrophobicContact CD-CD2 4.35Å; K257-L482 HydrophobicContact CG-CD2 3.85Å; K257-D483 IonicContact NZ-OD1 2.86Å; K257-D483 IonicContact NZ-OD2 2.89Å; K257-D483 PolarHBondContact NZ-OD2 3Å
258I88.8Confident83.5Confident0 Ų025.3 Ų25.30%013%0.127CC..Hα-helixtrans-70.6-40.4177.7-67.7171.6000110.5L254 L255 Y256 V260 S261 I262 L271 L275 V282 A285 Y289L254-I258 HydrophobicContact CD1-CD1 3.79Å; L254-I258 HydrophobicContact CD1-CG1 4.13Å; L254-I258 HydrophobicContact CG-CD1 3.89Å; L254-I258 WeakPolarHBondContact O-CG1 3.23Å; L254-I258 PolarHBondContact O-N 3.42Å; L255-I258 CarbonylContact O-C 3.55Å; L255-I258 WeakPolarHBondContact O-CA 3.3Å; L255-I258 WeakPolarHBondContact O-CB 3.3Å; L255-I258 PolarHBondContact O-N 3.43Å; Y256-I258 VanDerWaalsContact C-N 3.31Å; Y256-I258 PolarHBondContact O-N 3.28Å; I258-V260 PolarHBondContact O-N 3.17Å; I258-S261 CarbonylContact O-C 3.48Å; I258-S261 PolarHBondContact O-N 3.35Å; I258-I262 HydrophobicContact CG2-CD1 3.71Å; I258-I262 HydrophobicContact CG2-CG1 3.89Å; I258-I262 VanDerWaalsContact O-CG1 3.3Å; I258-I262 WeakPolarHBondContact O-CG1 3.37Å; I258-I262 PolarHBondContact O-N 2.79Å; I258-L271 HydrophobicContact CG2-CD2 4.12Å; I258-L275 HydrophobicContact CG1-CD1 3.74Å; I258-V282 HydrophobicContact CD1-CB 4.48Å; I258-V282 HydrophobicContact CD1-CG1 4.33Å; I258-V282 HydrophobicContact CD1-CG2 4.29Å; I258-A285 HydrophobicContact CD1-CB 3.33Å; I258-Y289 HydrophobicContact CB-CE2 4.39Å; I258-Y289 HydrophobicContact CG2-CE2 3.88Å
259F86.9Confident84.9Confident1 Ų125.6 Ų25.60%0.00413%0.127CC..Hα-helixtrans-57.3-47.2-179.3-101.9-23.1000112.7F118 V235 L255 Y256 S261 Y289 F294 V407F118-F259 HydrophobicContact CE1-CD2 4.36Å; F118-F259 AromaticContact CE1-CE2 3.52Å; F118-F259 HydrophobicContact CE1-CE2 3.52Å; F118-F259 HydrophobicContact CE1-CZ 4.04Å; F118-F259 AromaticContact CZ-CD2 3.91Å; F118-F259 HydrophobicContact CZ-CD2 3.91Å; F118-F259 AromaticContact CZ-CE2 3.49Å; F118-F259 HydrophobicContact CZ-CE2 3.49Å; F118-F259 VanDerWaalsContact CZ-CE2 3.49Å; F118-F259 HydrophobicContact CZ-CZ 4.41Å; V235-F259 HydrophobicContact CG1-CE1 4.45Å; L255-F259 PolarHBondContact O-N 2.9Å; Y256-F259 HydrophobicContact CD1-CD2 4.48Å; Y256-F259 PolarHBondContact O-N 3.41Å; F259-S261 PolarHBondContact O-N 2.97Å; F259-Y289 HydrophobicContact CD1-CD1 4.35Å; F259-Y289 HydrophobicContact CD1-CD2 4.23Å; F259-Y289 AromaticContact CD1-CE1 3.82Å; F259-Y289 HydrophobicContact CD1-CE1 3.82Å; F259-Y289 AromaticContact CD1-CE2 3.65Å; F259-Y289 HydrophobicContact CD1-CE2 3.65Å; F259-Y289 AromaticContact CD1-CZ 3.4Å; F259-Y289 WeakPolarHBondContact CD1-OH 3.11Å; F259-Y289 HydrophobicContact CD2-CE1 4.04Å; F259-Y289 AromaticContact CD2-CZ 3.93Å; F259-Y289 WeakPolarHBondContact CD2-OH 3.1Å; F259-Y289 AromaticContact CE1-CD1 3.54Å; F259-Y289 HydrophobicContact CE1-CD1 3.54Å; F259-Y289 HydrophobicContact CE1-CD2 4.01Å; F259-Y289 AromaticContact CE1-CE1 3.34Å; F259-Y289 HydrophobicContact CE1-CE1 3.34Å; F259-Y289 AromaticContact CE1-CE2 3.81Å; F259-Y289 HydrophobicContact CE1-CE2 3.81Å; F259-Y289 AromaticContact CE1-CG 3.87Å; F259-Y289 HydrophobicContact CE1-CG 3.87Å; F259-Y289 AromaticContact CE1-CZ 3.43Å; F259-Y289 VanDerWaalsContact CE1-CZ 3.43Å; F259-Y289 HydrophobicContact CE2-CD1 4.37Å; F259-Y289 AromaticContact CE2-CE1 3.62Å; F259-Y289 HydrophobicContact CE2-CE1 3.62Å; F259-Y289 AromaticContact CE2-CZ 3.99Å; F259-Y289 HydrophobicContact CG-CE1 4.14Å; F259-Y289 HydrophobicContact CG-CE2 4.23Å; F259-Y289 AromaticContact CG-CZ 3.64Å; F259-Y289 WeakPolarHBondContact CG-OH 3.49Å; F259-Y289 AromaticContact CZ-CD1 3.56Å; F259-Y289 HydrophobicContact CZ-CD1 3.56Å; F259-Y289 AromaticContact CZ-CE1 3.23Å; F259-Y289 HydrophobicContact CZ-CE1 3.23Å; F259-Y289 HydrophobicContact CZ-CG 4.34Å; F259-Y289 AromaticContact CZ-CZ 3.74Å; F259-F294 HydrophobicContact CE1-CB 4.18Å; F259-F294 HydrophobicContact CZ-CB 3.9Å; F259-F294 AromaticContact CZ-CD2 3.86Å; F259-F294 HydrophobicContact CZ-CD2 3.86Å; F259-F294 HydrophobicContact CZ-CG 4.15Å; F259-V407 HydrophobicContact CB-CG1 4.21Å; F259-V407 HydrophobicContact CG-CG1 4.45Å
260V84.1Confident85.8Confident9 Ų927.7 Ų27.76%0.05514%0.136CC..Hα-helixtrans-64.4-28.8178.2178.90000111.9Y256 I258 V407 L479 L482Y256-V260 WeakPolarHBondContact O-CG2 3.26Å; Y256-V260 PolarHBondContact O-N 3.38Å; I258-V260 PolarHBondContact O-N 3.17Å; V260-V407 VanDerWaalsContact CG2-O 3.25Å; V260-V407 WeakPolarHBondContact CG2-O 3.49Å; V260-L479 HydrophobicContact CG1-CD2 3.68Å; V260-L479 HydrophobicContact CG1-CG 4.47Å; V260-L482 HydrophobicContact CG1-CD1 4.16Å
261S85.9Confident86.2Confident3 Ų323.9 Ų23.92%0.02112%0.122CC..Hα-helixtrans-97.6-12.2-171.7-53.80000113.9K257 I258 F259 D263 L271 L275K257-S261 WeakPolarHBondContact O-CB 3.4Å; K257-S261 PolarHBondContact O-OG 3.39Å; I258-S261 CarbonylContact O-C 3.48Å; I258-S261 PolarHBondContact O-N 3.35Å; F259-S261 PolarHBondContact O-N 2.97Å; S261-D263 PolarHBondContact O-N 2.88Å; S261-L271 WeakPolarHBondContact O-CD1 3.38Å; S261-L275 WeakPolarHBondContact OG-CD2 3.3Å
262I86.4Confident86.5Confident11 Ų1122.6 Ų22.66%0.05612%0.116CC..  trans-64.3135.8176.4-76.5163.1000109.3V235 I258 L271 Y289 K409V235-I262 HydrophobicContact CG2-CB 4.34Å; V235-I262 HydrophobicContact CG2-CD1 4.18Å; V235-I262 HydrophobicContact CG2-CG2 3.81Å; I258-I262 HydrophobicContact CG2-CD1 3.71Å; I258-I262 HydrophobicContact CG2-CG1 3.89Å; I258-I262 VanDerWaalsContact O-CG1 3.3Å; I258-I262 WeakPolarHBondContact O-CG1 3.37Å; I258-I262 PolarHBondContact O-N 2.79Å; I262-L271 HydrophobicContact CG1-CD2 3.87Å; I262-Y289 HydrophobicContact CD1-CD2 3.91Å; I262-Y289 HydrophobicContact CD1-CE2 3.85Å; I262-K409 PolarHBondContact O-NZ 3.12Å
263D83.1Confident86.7Confident8 Ų828.2 Ų28.24%0.04315%0.147CC..  trans-140.9143.6174-169.556.3000109.7S261 Q265 T266 R375 K409S261-D263 PolarHBondContact O-N 2.88Å; D263-Q265 PolarHBondContact O-N 3.47Å; D263-Q265 VanDerWaalsContact O-N 3.16Å; D263-Q265 PolarHBondContact OD2-N 3.06Å; D263-T266 PolarHBondContact O-N 3Å; D263-T266 VanDerWaalsContact O-N 3.1Å; D263-R375 IonicContact OD1-CZ 3.45Å; D263-R375 IonicContact OD1-NH1 3.87Å; D263-K409 IonicContact OD1-NZ 3.1Å; D263-K409 PolarHBondContact OD1-NZ 3.31Å
264E80.2Confident86.8Confident23 Ų2326.1 Ų26.111%0.10713%0.134CC..THydrogen-bonded Turntrans-64.1-23.2-176.2-65-155.1171.800113.4C232 S234 K298C232-E264 WeakPolarHBondContact CB-O 3.3Å; S234-E264 VanDerWaalsContact CB-OE1 3.25Å; S234-E264 WeakPolarHBondContact CB-OE1 3.46Å; S234-E264 PolarHBondContact OG-OE1 3.15Å; E264-K298 IonicContact OE2-NZ 2.62Å; E264-K298 PolarHBondContact OE2-NZ 2.86Å
265Q79.8Confident86.7Confident81 Ų8126.1 Ų26.138%0.37913%0.134SC..THydrogen-bonded Turntrans-92.1-11.2-179.3-58.5-179.43.700112.6D263D263-Q265 PolarHBondContact O-N 3.47Å; D263-Q265 VanDerWaalsContact O-N 3.16Å; D263-Q265 PolarHBondContact OD2-N 3.06Å
266T84.5Confident86.6Confident13 Ų1332.4 Ų32.48%0.0816%0.163CC..  trans-96.7124.9-178-69.10000110.5D263 E270 L271 K493D263-T266 PolarHBondContact O-N 3Å; D263-T266 VanDerWaalsContact O-N 3.1Å; T266-E270 HydrophobicContact CG2-CB 3.98Å; T266-L271 HydrophobicContact CG2-CB 3.96Å; T266-K493 VanDerWaalsContact CG2-NZ 3.26Å; T266-K493 PolarHBondContact OG1-NZ 3.34Å
267N89.6Confident86.6Confident29 Ų2931.1 Ų31.116%0.15516%0.159CC..BIsolated β-bridgetrans-74.4163.2171.462.841.5000111.5A269 E270 L271N267-A269 VanDerWaalsContact C-N 3.3Å; N267-A269 PolarHBondContact O-N 3.39Å; N267-A269 PolarHBondContact OD1-N 2.68Å; N267-E270 PolarHBondContact ND2-OE1 2.62Å; N267-E270 PolarHBondContact O-N 2.86Å; N267-E270 WeakPolarHBondContact OD1-CB 3.39Å; N267-E270 WeakPolarHBondContact OD1-CG 3.1Å; N267-E270 PolarHBondContact OD1-N 2.74Å; N267-L271 WeakPolarHBondContact O-CB 3.19Å; N267-L271 PolarHBondContact O-N 3.23Å
268V89.2Confident86.6Confident1 Ų133 Ų331%0.00617%0.172CC..Hα-helixtrans-63.2-35-177.4172.70000112.4I227 D229 S231 I233 L271 A272 L279 V282 K283 V286I227-V268 HydrophobicContact CG2-CG1 4.45Å; I227-V268 HydrophobicContact CG2-CG2 3.82Å; D229-V268 PolarHBondContact O-N 2.86Å; S231-V268 WeakPolarHBondContact O-CG2 3.35Å; S231-V268 PolarHBondContact O-N 3.41Å; I233-V268 HydrophobicContact CG1-CG2 4.21Å; V268-L271 PolarHBondContact O-N 3.29Å; V268-A272 PolarHBondContact O-N 3.41Å; V268-L279 HydrophobicContact CG1-CD1 4.03Å; V268-V282 HydrophobicContact CG1-CG1 4.01Å; V268-K283 HydrophobicContact CG1-CG 3.92Å; V268-V286 HydrophobicContact CG2-CG2 4.38Å
269A89.2Confident86.7Confident26 Ų2635 Ų3522%0.21518%0.182CC..Hα-helixtrans-64-46.6177.300000112.9D229 N267 A272 N273 L279D229-A269 HydrophobicContact CB-CB 4.29Å; D229-A269 PolarHBondContact O-N 3.34Å; N267-A269 VanDerWaalsContact C-N 3.3Å; N267-A269 PolarHBondContact O-N 3.39Å; N267-A269 PolarHBondContact OD1-N 2.68Å; A269-A272 PolarHBondContact O-N 3.49Å; A269-N273 PolarHBondContact O-N 3.26Å; A269-N273 VanDerWaalsContact O-N 3.11Å; A269-N273 PolarHBondContact O-ND2 3.49Å; A269-L279 HydrophobicContact CB-CD1 4.47Å
270E87.6Confident86.7Confident76 Ų7639.5 Ų39.536%0.35521%0.206SC..Hα-helixtrans-67.4-37.5176-73.5170.9-15400111.7T266 N267 A272 N273 V274 K493T266-E270 HydrophobicContact CG2-CB 3.98Å; N267-E270 PolarHBondContact ND2-OE1 2.62Å; N267-E270 PolarHBondContact O-N 2.86Å; N267-E270 WeakPolarHBondContact OD1-CB 3.39Å; N267-E270 WeakPolarHBondContact OD1-CG 3.1Å; N267-E270 PolarHBondContact OD1-N 2.74Å; E270-A272 VanDerWaalsContact C-N 3.3Å; E270-A272 PolarHBondContact O-N 3.43Å; E270-N273 PolarHBondContact O-N 3.22Å; E270-V274 VanDerWaalsContact O-CG2 3.28Å; E270-V274 WeakPolarHBondContact O-CG2 3.24Å; E270-V274 PolarHBondContact O-N 2.9Å; E270-K493 IonicContact OE2-NZ 2.99Å; E270-K493 PolarHBondContact OE2-NZ 3.02Å
271L89.1Confident86.9Confident9 Ų941 Ų415%0.04721%0.214CC..Hα-helixtrans-58.8-44.9174.7-177.158.3000111I258 S261 I262 T266 N267 V268 N273 V274 L275 V282I258-L271 HydrophobicContact CG2-CD2 4.12Å; S261-L271 WeakPolarHBondContact O-CD1 3.38Å; I262-L271 HydrophobicContact CG1-CD2 3.87Å; T266-L271 HydrophobicContact CG2-CB 3.96Å; N267-L271 WeakPolarHBondContact O-CB 3.19Å; N267-L271 PolarHBondContact O-N 3.23Å; V268-L271 PolarHBondContact O-N 3.29Å; L271-N273 VanDerWaalsContact C-N 3.34Å; L271-N273 PolarHBondContact O-N 3.27Å; L271-V274 PolarHBondContact O-N 2.83Å; L271-L275 HydrophobicContact CD1-CD1 3.89Å; L271-L275 HydrophobicContact CD1-CG 4.25Å; L271-L275 HydrophobicContact CG-CD1 4.04Å; L271-L275 WeakPolarHBondContact O-CB 3.32Å; L271-L275 WeakPolarHBondContact O-CG 3.49Å; L271-L275 PolarHBondContact O-N 3.36Å; L271-V282 HydrophobicContact CD2-CG1 3.97Å; L271-V282 HydrophobicContact CG-CG1 4.21Å
272A90.3Very high87.1Confident3 Ų340.9 Ų40.93%0.02521%0.213CC..Hα-helixtrans-61.3-41.7175.700000112.2V268 A269 E270 L275 E276 I277 L279 V282V268-A272 PolarHBondContact O-N 3.41Å; A269-A272 PolarHBondContact O-N 3.49Å; E270-A272 VanDerWaalsContact C-N 3.3Å; E270-A272 PolarHBondContact O-N 3.43Å; A272-L275 PolarHBondContact O-N 3.13Å; A272-E276 WeakPolarHBondContact O-CA 3.43Å; A272-E276 PolarHBondContact O-N 2.94Å; A272-I277 PolarHBondContact O-N 3.44Å; A272-I277 VanDerWaalsContact O-N 3.15Å; A272-L279 HydrophobicContact CB-CB 4.31Å; A272-L279 HydrophobicContact CB-CD1 3.84Å; A272-V282 HydrophobicContact CB-CB 4.36Å; A272-V282 HydrophobicContact CB-CG2 3.91Å
273N89.8Confident87.4Confident123 Ų12342.1 Ų42.166%0.65822%0.218SC*.Hα-helixtrans-65.1-41.8177.1-70.6-28.6000112.7A269 E270 L271 L275 E276A269-N273 PolarHBondContact O-N 3.26Å; A269-N273 VanDerWaalsContact O-N 3.11Å; A269-N273 PolarHBondContact O-ND2 3.49Å; E270-N273 PolarHBondContact O-N 3.22Å; L271-N273 VanDerWaalsContact C-N 3.34Å; L271-N273 PolarHBondContact O-N 3.27Å; N273-L275 VanDerWaalsContact C-N 3.34Å; N273-E276 PolarHBondContact O-N 3.4Å
274V86.5Confident87.7Confident23 Ų2344.1 Ų44.114%0.13923%0.228CC..Hα-helixtrans-65.9-40.4178.8171.50000111E270 L271 R489 V490 K493E270-V274 VanDerWaalsContact O-CG2 3.28Å; E270-V274 WeakPolarHBondContact O-CG2 3.24Å; E270-V274 PolarHBondContact O-N 2.9Å; L271-V274 PolarHBondContact O-N 2.83Å; V274-R489 HydrophobicContact CG1-CB 4.19Å; V274-R489 PolarHBondContact O-NE 2.89Å; V274-R489 PolarHBondContact O-NH2 2.87Å; V274-R489 VanDerWaalsContact O-NH2 3.12Å; V274-V490 HydrophobicContact CG1-CB 4.28Å; V274-V490 HydrophobicContact CG1-CG2 3.43Å; V274-V490 VanDerWaalsContact CG1-CG2 3.43Å; V274-K493 HydrophobicContact CG2-CD 3.71Å
275L86.1Confident88.2Confident8 Ų843 Ų434%0.04222%0.223CC..Hα-helixtrans-78.9-16.5179.7-68.6177.2000113.7I258 S261 L271 A272 N273 I277 L482 T486I258-L275 HydrophobicContact CG1-CD1 3.74Å; S261-L275 WeakPolarHBondContact OG-CD2 3.3Å; L271-L275 HydrophobicContact CD1-CD1 3.89Å; L271-L275 HydrophobicContact CD1-CG 4.25Å; L271-L275 HydrophobicContact CG-CD1 4.04Å; L271-L275 WeakPolarHBondContact O-CB 3.32Å; L271-L275 WeakPolarHBondContact O-CG 3.49Å; L271-L275 PolarHBondContact O-N 3.36Å; A272-L275 PolarHBondContact O-N 3.13Å; N273-L275 VanDerWaalsContact C-N 3.34Å; L275-I277 HydrophobicContact CB-CB 4.26Å; L275-I277 HydrophobicContact CB-CD1 3.79Å; L275-I277 HydrophobicContact CB-CG1 3.82Å; L275-I277 HydrophobicContact CD1-CD1 4.26Å; L275-I277 WeakPolarHBondContact O-CG1 3.5Å; L275-I277 PolarHBondContact O-N 2.93Å; L275-L482 HydrophobicContact CD2-CD2 4.36Å; L275-T486 HydrophobicContact CD2-CG2 3.58Å
276E87.1Confident88.8Confident132 Ų13239.1 Ų39.162%0.61721%0.205SC*.THydrogen-bonded Turntrans55.439.7-169.5-67.717216300112.5A272 N273 R489A272-E276 WeakPolarHBondContact O-CA 3.43Å; A272-E276 PolarHBondContact O-N 2.94Å; N273-E276 PolarHBondContact O-N 3.4Å; E276-R489 IonicContact OE1-CZ 3.24Å; E276-R489 IonicContact OE1-NH1 3.7Å; E276-R489 PolarHBondContact OE1-NH1 3.31Å; E276-R489 IonicContact OE1-NH2 3.95Å; E276-R489 IonicContact OE2-CZ 3.72Å; E276-R489 VanDerWaalsContact OE2-CZ 3.28Å; E276-R489 IonicContact OE2-NH1 2.77Å; E276-R489 PolarHBondContact OE2-NH1 3.13Å; E276-R489 IonicContact OE2-NH2 2.7Å; E276-R489 PolarHBondContact OE2-NH2 3.47Å
277I87.1Confident89Confident28 Ų2839 Ų3914%0.14421%0.205CC..  trans-112.5150.9179.5-58.3177.1000108.7L254 A272 L275 L279 L281 V282L254-I277 HydrophobicContact CD1-CD1 3.35Å; L254-I277 HydrophobicContact CD1-CG1 4.49Å; L254-I277 HydrophobicContact CD1-CG2 4.06Å; A272-I277 PolarHBondContact O-N 3.44Å; A272-I277 VanDerWaalsContact O-N 3.15Å; L275-I277 HydrophobicContact CB-CB 4.26Å; L275-I277 HydrophobicContact CB-CD1 3.79Å; L275-I277 HydrophobicContact CB-CG1 3.82Å; L275-I277 HydrophobicContact CD1-CD1 4.26Å; L275-I277 WeakPolarHBondContact O-CG1 3.5Å; L275-I277 PolarHBondContact O-N 2.93Å; I277-L279 PolarHBondContact O-N 2.88Å; I277-L281 HydrophobicContact CG2-CB 4.09Å; I277-L281 HydrophobicContact CG2-CD1 4.3Å; I277-V282 HydrophobicContact CB-CG2 4.1Å; I277-V282 HydrophobicContact CG2-CG2 4.02Å
278D87.5Confident89.1Confident86 Ų8638 Ų3846%0.4620%0.199SC..  trans-60132.1177.3-173.17.3000110.3D280 L281 V282D278-D280 PolarHBondContact O-N 3.07Å; D278-L281 HydrophobicContact CB-CB 4.43Å; D278-L281 HydrophobicContact CB-CD1 4.07Å; D278-L281 HydrophobicContact CB-CG 4.12Å; D278-L281 WeakPolarHBondContact O-CB 3.26Å; D278-L281 PolarHBondContact O-N 3.4Å; D278-V282 PolarHBondContact O-N 3.28Å; D278-V282 VanDerWaalsContact O-N 3.14Å
279L89.8Confident89.1Confident43 Ų4337.9 Ų37.923%0.22520%0.199CC..Hα-helixtrans-56.7-38.9-176.2179.261.8000111.5V268 A269 A272 I277 L281 V282 K283V268-L279 HydrophobicContact CG1-CD1 4.03Å; A269-L279 HydrophobicContact CB-CD1 4.47Å; A272-L279 HydrophobicContact CB-CB 4.31Å; A272-L279 HydrophobicContact CB-CD1 3.84Å; I277-L279 PolarHBondContact O-N 2.88Å; L279-L281 VanDerWaalsContact C-N 3.32Å; L279-L281 PolarHBondContact O-N 3.32Å; L279-V282 PolarHBondContact O-N 3.27Å; L279-K283 HydrophobicContact CG-CD 4.27Å; L279-K283 WeakPolarHBondContact O-CG 3.41Å; L279-K283 PolarHBondContact O-N 2.88Å
280D87.9Confident89Confident94 Ų9437.1 Ų37.150%0.50319%0.192SC..Hα-helixtrans-66.3-34.5179.4-73.2-20.6000112D278 N284D278-D280 PolarHBondContact O-N 3.07Å; D280-N284 WeakPolarHBondContact O-CB 3.39Å; D280-N284 PolarHBondContact O-N 3.18Å; D280-N284 PolarHBondContact O-ND2 3.29Å; D280-N284 VanDerWaalsContact O-ND2 3.09Å
281L88.7Confident89.1Confident41 Ų4134.4 Ų34.422%0.21518%0.178CC..Hα-helixtrans-69-40.8174.9-67.4177.6000111.5L254 I277 D278 L279 N284 A285L254-L281 HydrophobicContact CD2-CB 4.21Å; I277-L281 HydrophobicContact CG2-CB 4.09Å; I277-L281 HydrophobicContact CG2-CD1 4.3Å; D278-L281 HydrophobicContact CB-CB 4.43Å; D278-L281 HydrophobicContact CB-CD1 4.07Å; D278-L281 HydrophobicContact CB-CG 4.12Å; D278-L281 WeakPolarHBondContact O-CB 3.26Å; D278-L281 PolarHBondContact O-N 3.4Å; L279-L281 VanDerWaalsContact C-N 3.32Å; L279-L281 PolarHBondContact O-N 3.32Å; L281-N284 PolarHBondContact O-N 3.38Å; L281-A285 WeakPolarHBondContact O-CB 3.49Å; L281-A285 PolarHBondContact O-N 2.88Å
282V90.8Very high88.9Confident0 Ų035 Ų350%018%0.182CC..Hα-helixtrans-64.8-42.2176-177.50000110.6I258 V268 L271 A272 I277 D278 L279 N284 A285 V286I258-V282 HydrophobicContact CD1-CB 4.48Å; I258-V282 HydrophobicContact CD1-CG1 4.33Å; I258-V282 HydrophobicContact CD1-CG2 4.29Å; V268-V282 HydrophobicContact CG1-CG1 4.01Å; L271-V282 HydrophobicContact CD2-CG1 3.97Å; L271-V282 HydrophobicContact CG-CG1 4.21Å; A272-V282 HydrophobicContact CB-CB 4.36Å; A272-V282 HydrophobicContact CB-CG2 3.91Å; I277-V282 HydrophobicContact CB-CG2 4.1Å; I277-V282 HydrophobicContact CG2-CG2 4.02Å; D278-V282 PolarHBondContact O-N 3.28Å; D278-V282 VanDerWaalsContact O-N 3.14Å; L279-V282 PolarHBondContact O-N 3.27Å; V282-N284 VanDerWaalsContact C-N 3.34Å; V282-N284 PolarHBondContact O-N 3.23Å; V282-A285 PolarHBondContact O-N 3.37Å; V282-V286 HydrophobicContact CG1-CG2 4.33Å; V282-V286 WeakPolarHBondContact O-CB 3.38Å; V282-V286 WeakPolarHBondContact O-CG2 3.28Å; V282-V286 PolarHBondContact O-N 2.99Å
283K91.1Very high88.6Confident38 Ų3835.9 Ų35.917%0.16519%0.191CC..Hα-helixtrans-59.2-43.4173.5-74.7170.8178169.30112.2I227 D229 V268 L279 V286 S287I227-K283 HydrophobicContact CB-CB 4.49Å; I227-K283 HydrophobicContact CB-CG 4.46Å; I227-K283 HydrophobicContact CG2-CG 4.43Å; D229-K283 WeakPolarHBondContact OD1-CE 3.47Å; D229-K283 IonicContact OD1-NZ 3.28Å; D229-K283 PolarHBondContact OD1-NZ 2.8Å; D229-K283 IonicContact OD2-NZ 2.74Å; V268-K283 HydrophobicContact CG1-CG 3.92Å; L279-K283 HydrophobicContact CG-CD 4.27Å; L279-K283 WeakPolarHBondContact O-CG 3.41Å; L279-K283 PolarHBondContact O-N 2.88Å; K283-V286 PolarHBondContact O-N 2.96Å; K283-S287 WeakPolarHBondContact O-CB 3.23Å; K283-S287 PolarHBondContact O-N 3.17Å
284N90.3Very high88.3Confident49 Ų4930.8 Ų30.826%0.26216%0.163SC..Hα-helixtrans-63.2-43.6177.1-68.2-26.6000111.5D280 L281 V282 S287 M288D280-N284 WeakPolarHBondContact O-CB 3.39Å; D280-N284 PolarHBondContact O-N 3.18Å; D280-N284 PolarHBondContact O-ND2 3.29Å; D280-N284 VanDerWaalsContact O-ND2 3.09Å; L281-N284 PolarHBondContact O-N 3.38Å; V282-N284 VanDerWaalsContact C-N 3.34Å; V282-N284 PolarHBondContact O-N 3.23Å; N284-S287 WeakPolarHBondContact O-CB 3.39Å; N284-S287 PolarHBondContact O-N 3.19Å; N284-M288 WeakPolarHBondContact O-CG 3.39Å; N284-M288 PolarHBondContact O-N 2.8Å
285A91.1Very high88.3Confident0 Ų030 Ų300%016%0.158CC..Hα-helixtrans-62.4-48176.100000112.5F251 L255 I258 L281 V282 S287 M288 Y289F251-A285 HydrophobicContact CZ-CB 4.48Å; L255-A285 HydrophobicContact CD2-CB 3.66Å; I258-A285 HydrophobicContact CD1-CB 3.33Å; L281-A285 WeakPolarHBondContact O-CB 3.49Å; L281-A285 PolarHBondContact O-N 2.88Å; V282-A285 PolarHBondContact O-N 3.37Å; A285-S287 VanDerWaalsContact C-N 3.32Å; A285-S287 PolarHBondContact O-N 2.85Å; A285-M288 WeakPolarHBondContact O-CA 3.44Å; A285-M288 WeakPolarHBondContact O-CB 3.4Å; A285-M288 PolarHBondContact O-N 2.83Å; A285-M288 VanDerWaalsContact O-N 3.1Å; A285-Y289 PolarHBondContact O-N 3.19Å
286V90.7Very high88.1Confident0 Ų031.4 Ų31.40%017%0.167CC..Hα-helixtrans-62.7-40.3176.4171.50000111.3I227 I233 V268 V282 K283 M288 Y289 C290I227-V286 HydrophobicContact CD1-CG1 3.94Å; I227-V286 HydrophobicContact CG1-CB 4.41Å; I227-V286 HydrophobicContact CG1-CG1 3.97Å; I227-V286 HydrophobicContact CG2-CB 4.46Å; I227-V286 HydrophobicContact CG2-CG1 3.98Å; I233-V286 HydrophobicContact CD1-CG1 3.43Å; I233-V286 VanDerWaalsContact CD1-CG1 3.43Å; I233-V286 HydrophobicContact CG1-CG1 3.53Å; I233-V286 HydrophobicContact CG2-CG1 4.37Å; V268-V286 HydrophobicContact CG2-CG2 4.38Å; V282-V286 HydrophobicContact CG1-CG2 4.33Å; V282-V286 WeakPolarHBondContact O-CB 3.38Å; V282-V286 WeakPolarHBondContact O-CG2 3.28Å; V282-V286 PolarHBondContact O-N 2.99Å; K283-V286 PolarHBondContact O-N 2.96Å; V286-M288 VanDerWaalsContact C-N 3.28Å; V286-M288 PolarHBondContact O-N 3.41Å; V286-Y289 PolarHBondContact O-N 2.88Å; V286-C290 PolarHBondContact O-N 3.22Å
287S90.4Very high87.9Confident11 Ų1126.5 Ų26.58%0.07714%0.144CC..Hα-helixtrans-57.4-42.8173-173.50000111V225 K283 N284 A285 C290 R291V225-S287 WeakPolarHBondContact CB-OG 3.44Å; V225-S287 PolarHBondContact O-OG 3.08Å; K283-S287 WeakPolarHBondContact O-CB 3.23Å; K283-S287 PolarHBondContact O-N 3.17Å; N284-S287 WeakPolarHBondContact O-CB 3.39Å; N284-S287 PolarHBondContact O-N 3.19Å; A285-S287 VanDerWaalsContact C-N 3.32Å; A285-S287 PolarHBondContact O-N 2.85Å; S287-C290 PolarHBondContact O-N 3.49Å; S287-R291 WeakPolarHBondContact O-CD 3.37Å; S287-R291 WeakPolarHBondContact O-CG 3.25Å; S287-R291 PolarHBondContact O-N 2.96Å; S287-R291 PolarHBondContact OG-NE 3.44Å
288M89.9Confident87.3Confident6 Ų630.7 Ų30.73%0.0316%0.161CC..Hα-helixtrans-62.6-42.5174.4-73.7-48.1-63.700113L77 Y80 F251 N284 A285 V286 C290 R291 L292L77-M288 HydrophobicContact CD1-CE 4.39Å; L77-M288 HydrophobicContact CD2-CE 3.6Å; L77-M288 HydrophobicContact CD2-CG 4.37Å; L77-M288 HydrophobicContact CG-CE 4.17Å; Y80-M288 HydrophobicContact CD2-CE 3.23Å; Y80-M288 HydrophobicContact CD2-SD 3.18Å; Y80-M288 WeakPolarHBondContact CD2-SD 3.37Å; Y80-M288 HydrophobicContact CE2-CE 3.4Å; Y80-M288 HydrophobicContact CE2-SD 3.96Å; Y80-M288 HydrophobicContact CG-CE 4.2Å; Y80-M288 HydrophobicContact CG-SD 3.6Å; F251-M288 HydrophobicContact CE1-CG 4.1Å; F251-M288 HydrophobicContact CZ-CG 4.14Å; N284-M288 WeakPolarHBondContact O-CG 3.39Å; N284-M288 PolarHBondContact O-N 2.8Å; A285-M288 WeakPolarHBondContact O-CA 3.44Å; A285-M288 WeakPolarHBondContact O-CB 3.4Å; A285-M288 PolarHBondContact O-N 2.83Å; A285-M288 VanDerWaalsContact O-N 3.1Å; V286-M288 VanDerWaalsContact C-N 3.28Å; V286-M288 PolarHBondContact O-N 3.41Å; M288-C290 PolarHBondContact O-N 3.06Å; M288-R291 WeakPolarHBondContact O-CB 3.45Å; M288-R291 PolarHBondContact O-N 3.29Å; M288-R291 VanDerWaalsContact O-N 3.15Å; M288-L292 WeakPolarHBondContact O-CG 3.28Å; M288-L292 PolarHBondContact O-N 2.98Å
289Y89.6Confident86Confident0 Ų030.2 Ų30.20%018%0.176CC..Hα-helixtrans-62.5-41.3176.2-64.8-37.3000113.6F118 L255 I258 F259 I262 A285 V286 R291 L292 G293 F294 A295F118-Y289 HydrophobicContact CE1-CD1 4.43Å; F118-Y289 AromaticContact CE1-CE1 3.71Å; F118-Y289 HydrophobicContact CE1-CE1 3.71Å; F118-Y289 HydrophobicContact CZ-CE1 4.16Å; L255-Y289 WeakPolarHBondContact CA-OH 3.4Å; L255-Y289 HydrophobicContact CB-CE1 4.2Å; L255-Y289 VanDerWaalsContact CB-OH 3.23Å; L255-Y289 WeakPolarHBondContact CB-OH 3.28Å; L255-Y289 HydrophobicContact CD2-CD1 4.47Å; L255-Y289 HydrophobicContact CD2-CE1 3.75Å; L255-Y289 HydrophobicContact CD2-CE2 4.34Å; L255-Y289 HydrophobicContact CG-CE1 4.4Å; L255-Y289 PolarHBondContact O-OH 3.26Å; I258-Y289 HydrophobicContact CB-CE2 4.39Å; I258-Y289 HydrophobicContact CG2-CE2 3.88Å; F259-Y289 HydrophobicContact CD1-CD1 4.35Å; F259-Y289 HydrophobicContact CD1-CD2 4.23Å; F259-Y289 AromaticContact CD1-CE1 3.82Å; F259-Y289 HydrophobicContact CD1-CE1 3.82Å; F259-Y289 AromaticContact CD1-CE2 3.65Å; F259-Y289 HydrophobicContact CD1-CE2 3.65Å; F259-Y289 AromaticContact CD1-CZ 3.4Å; F259-Y289 WeakPolarHBondContact CD1-OH 3.11Å; F259-Y289 HydrophobicContact CD2-CE1 4.04Å; F259-Y289 AromaticContact CD2-CZ 3.93Å; F259-Y289 WeakPolarHBondContact CD2-OH 3.1Å; F259-Y289 AromaticContact CE1-CD1 3.54Å; F259-Y289 HydrophobicContact CE1-CD1 3.54Å; F259-Y289 HydrophobicContact CE1-CD2 4.01Å; F259-Y289 AromaticContact CE1-CE1 3.34Å; F259-Y289 HydrophobicContact CE1-CE1 3.34Å; F259-Y289 AromaticContact CE1-CE2 3.81Å; F259-Y289 HydrophobicContact CE1-CE2 3.81Å; F259-Y289 AromaticContact CE1-CG 3.87Å; F259-Y289 HydrophobicContact CE1-CG 3.87Å; F259-Y289 AromaticContact CE1-CZ 3.43Å; F259-Y289 VanDerWaalsContact CE1-CZ 3.43Å; F259-Y289 HydrophobicContact CE2-CD1 4.37Å; F259-Y289 AromaticContact CE2-CE1 3.62Å; F259-Y289 HydrophobicContact CE2-CE1 3.62Å; F259-Y289 AromaticContact CE2-CZ 3.99Å; F259-Y289 HydrophobicContact CG-CE1 4.14Å; F259-Y289 HydrophobicContact CG-CE2 4.23Å; F259-Y289 AromaticContact CG-CZ 3.64Å; F259-Y289 WeakPolarHBondContact CG-OH 3.49Å; F259-Y289 AromaticContact CZ-CD1 3.56Å; F259-Y289 HydrophobicContact CZ-CD1 3.56Å; F259-Y289 AromaticContact CZ-CE1 3.23Å; F259-Y289 HydrophobicContact CZ-CE1 3.23Å; F259-Y289 HydrophobicContact CZ-CG 4.34Å; F259-Y289 AromaticContact CZ-CZ 3.74Å; I262-Y289 HydrophobicContact CD1-CD2 3.91Å; I262-Y289 HydrophobicContact CD1-CE2 3.85Å; A285-Y289 PolarHBondContact O-N 3.19Å; V286-Y289 PolarHBondContact O-N 2.88Å; Y289-R291 VanDerWaalsContact C-N 3.3Å; Y289-R291 PolarHBondContact O-N 3.23Å; Y289-L292 PolarHBondContact O-N 3.43Å; Y289-G293 PolarHBondContact O-N 2.65Å; Y289-G293 VanDerWaalsContact O-N 3.07Å; Y289-F294 HydrophobicContact CD1-CB 4.48Å; Y289-F294 HydrophobicContact CD1-CD2 4.25Å; Y289-F294 PolarHBondContact O-N 2.96Å; Y289-A295 PolarHBondContact O-N 2.88Å
290C88.3Confident84.4Confident10 Ų1032 Ų327%0.06818%0.183CC..Hα-helixtrans-65.1-34174.6-69.40000112.4W169 V225 V286 S287 M288 G293 A295W169-C290 HydrophobicContact CH2-CB 4.27Å; W169-C290 HydrophobicContact CZ2-CB 4.29Å; V225-C290 HydrophobicContact CG1-CB 3.9Å; V286-C290 PolarHBondContact O-N 3.22Å; S287-C290 PolarHBondContact O-N 3.49Å; M288-C290 PolarHBondContact O-N 3.06Å; C290-G293 PolarHBondContact O-N 3.47Å; C290-A295 WeakPolarHBondContact CA-O 3.45Å; C290-A295 PolarHBondContact SG-O 3.46Å; C290-A295 VanDerWaalsContact SG-O 3.39Å
291R88.3Confident82.5Confident19 Ų1934.1 Ų34.17%0.07220%0.199CC..Hα-helixtrans-70.2-39.3176.6-71.5165.1-175.8-79.910113.1R125 L223 D224 V225 S287 M288 Y289R125-R291 WeakPolarHBondContact CD-O 3.3Å; L223-R291 VanDerWaalsContact O-CZ 3.29Å; L223-R291 PolarHBondContact O-NH1 3.5Å; L223-R291 PolarHBondContact O-NH2 3.5Å; D224-R291 VanDerWaalsContact CA-NH2 3.31Å; D224-R291 IonicContact OD1-NH2 2.95Å; D224-R291 PolarHBondContact OD1-NH2 3.23Å; V225-R291 HydrophobicContact CB-CG 4.16Å; V225-R291 HydrophobicContact CG2-CG 3.6Å; V225-R291 VanDerWaalsContact CG2-CZ 3.43Å; V225-R291 VanDerWaalsContact N-NH2 3.13Å; S287-R291 WeakPolarHBondContact O-CD 3.37Å; S287-R291 WeakPolarHBondContact O-CG 3.25Å; S287-R291 PolarHBondContact O-N 2.96Å; S287-R291 PolarHBondContact OG-NE 3.44Å; M288-R291 WeakPolarHBondContact O-CB 3.45Å; M288-R291 PolarHBondContact O-N 3.29Å; M288-R291 VanDerWaalsContact O-N 3.15Å; Y289-R291 VanDerWaalsContact C-N 3.3Å; Y289-R291 PolarHBondContact O-N 3.23Å
292L85.8Confident80.9Confident22 Ų2234.7 Ų34.712%0.11520%0.2CC..Hα-helixtrans-77.7-12.2178.2-65175.8000112.5F118 D122 M288 Y289 F294F118-L292 HydrophobicContact CD1-CD1 3.9Å; D122-L292 HydrophobicContact CB-CD2 3.79Å; M288-L292 WeakPolarHBondContact O-CG 3.28Å; M288-L292 PolarHBondContact O-N 2.98Å; Y289-L292 PolarHBondContact O-N 3.43Å; L292-F294 VanDerWaalsContact C-N 3.32Å; L292-F294 HydrophobicContact CB-CD2 3.65Å; L292-F294 HydrophobicContact CB-CE2 3.69Å; L292-F294 HydrophobicContact CB-CG 4.13Å; L292-F294 HydrophobicContact CB-CZ 4.19Å; L292-F294 HydrophobicContact CD1-CD2 3.95Å; L292-F294 HydrophobicContact CD1-CE2 3.61Å; L292-F294 HydrophobicContact CG-CD2 4.46Å; L292-F294 HydrophobicContact CG-CE2 4.25Å
293G83.5Confident78.9Confident21 Ų2137.9 Ų37.922%0.21622%0.222CC..THydrogen-bonded Turntrans84.74.7-178.800000114.2Y289 C290Y289-G293 PolarHBondContact O-N 2.65Å; Y289-G293 VanDerWaalsContact O-N 3.07Å; C290-G293 PolarHBondContact O-N 3.47Å
294F84.8Confident77.1Confident16 Ų1639.5 Ų39.57%0.0724%0.239CC..SBendtrans-76.4-21.3178.9-58-32.2000113.5F118 A121 P236 L238 F241 F259 Y289 L292F118-F294 HydrophobicContact CD1-CD2 4.46Å; F118-F294 AromaticContact CD1-CE2 3.97Å; F118-F294 HydrophobicContact CD1-CE2 3.97Å; F118-F294 HydrophobicContact CE1-CD2 4.23Å; F118-F294 HydrophobicContact CE1-CE2 4.03Å; A121-F294 HydrophobicContact CB-CE2 4.32Å; A121-F294 HydrophobicContact CB-CZ 3.87Å; P236-F294 WeakPolarHBondContact CD-O 3.43Å; L238-F294 HydrophobicContact CD2-CB 3.99Å; L238-F294 HydrophobicContact CD2-CD1 3.7Å; L238-F294 HydrophobicContact CD2-CE1 4.45Å; L238-F294 HydrophobicContact CD2-CG 4Å; F241-F294 AromaticContact CD2-CE1 3.77Å; F241-F294 HydrophobicContact CD2-CE1 3.77Å; F241-F294 HydrophobicContact CD2-CE2 4.04Å; F241-F294 AromaticContact CD2-CZ 3.5Å; F241-F294 HydrophobicContact CD2-CZ 3.5Å; F241-F294 VanDerWaalsContact CD2-CZ 3.5Å; F241-F294 HydrophobicContact CE2-CE1 4.39Å; F241-F294 AromaticContact CE2-CE2 3.82Å; F241-F294 HydrophobicContact CE2-CE2 3.82Å; F241-F294 AromaticContact CE2-CZ 3.74Å; F241-F294 HydrophobicContact CE2-CZ 3.74Å; F259-F294 HydrophobicContact CE1-CB 4.18Å; F259-F294 HydrophobicContact CZ-CB 3.9Å; F259-F294 AromaticContact CZ-CD2 3.86Å; F259-F294 HydrophobicContact CZ-CD2 3.86Å; F259-F294 HydrophobicContact CZ-CG 4.15Å; Y289-F294 HydrophobicContact CD1-CB 4.48Å; Y289-F294 HydrophobicContact CD1-CD2 4.25Å; Y289-F294 PolarHBondContact O-N 2.96Å; L292-F294 VanDerWaalsContact C-N 3.32Å; L292-F294 HydrophobicContact CB-CD2 3.65Å; L292-F294 HydrophobicContact CB-CE2 3.69Å; L292-F294 HydrophobicContact CB-CG 4.13Å; L292-F294 HydrophobicContact CB-CZ 4.19Å; L292-F294 HydrophobicContact CD1-CD2 3.95Å; L292-F294 HydrophobicContact CD1-CE2 3.61Å; L292-F294 HydrophobicContact CG-CD2 4.46Å; L292-F294 HydrophobicContact CG-CE2 4.25Å
295A85.4Confident75.4Confident5 Ų546.2 Ų46.24%0.04127%0.269CS..  trans-136.3147.4179.500000112.7I233 S234 V235 Y289 C290I233-A295 HydrophobicContact CG2-CB 3.57Å; S234-A295 CarbonylContact O-C 3.57Å; S234-A295 WeakPolarHBondContact O-CA 3.24Å; V235-A295 HydrophobicContact CG2-CB 4.34Å; Y289-A295 PolarHBondContact O-N 2.88Å; C290-A295 WeakPolarHBondContact CA-O 3.45Å; C290-A295 PolarHBondContact SG-O 3.46Å; C290-A295 VanDerWaalsContact SG-O 3.39Å
296V82.9Confident74Confident38 Ų3852.5 Ų52.523%0.2330%0.298CS..EExtended strand (participates in β ladder)trans-119.8133.8179.4-175.20000109.5S234 P236S234-V296 PolarHBondContact N-O 3.39Å; S234-V296 PolarHBondContact O-N 3Å; P236-V296 HydrophobicContact CG-CG2 4.36Å
297K82.7Confident73.1Confident30 Ų3054.4 Ų54.413%0.1331%0.308CS..EExtended strand (participates in β ladder)trans-75.8122173.9-174.3177.8-177.8174.40109.9W169 S231 I233W169-K297 HydrophobicContact CH2-CD 4.45Å; W169-K297 HydrophobicContact CZ2-CB 4.39Å; S231-K297 VanDerWaalsContact OG-CE 3.24Å; S231-K297 WeakPolarHBondContact OG-CE 3.32Å; S231-K297 PolarHBondContact OG-NZ 3.31Å; I233-K297 HydrophobicContact CD1-CB 4.3Å; I233-K297 HydrophobicContact CD1-CG 4.38Å
298K72.9Confident72.1Confident116 Ų11657.4 Ų57.450%0.50432%0.32SS..THydrogen-bonded Turntrans-78.6138.6178.6-159.7169.3-174.8167.10109.9C232 E264C232-K298 HydrophobicContact CB-CB 4.25Å; C232-K298 WeakPolarHBondContact O-CB 3.21Å; C232-K298 PolarHBondContact O-N 2.81Å; E264-K298 IonicContact OE2-NZ 2.62Å; E264-K298 PolarHBondContact OE2-NZ 2.86Å
299G60.7Low71.2Confident75 Ų7561.3 Ų61.377%0.77335%0.346SS*.THydrogen-bonded Turntrans975.5169.700000117.9V301G299-V301 PolarHBondContact O-N 2.95Å
300Q55.7Low70.4Confident80 Ų8062.8 Ų62.837%0.37436%0.357SS..  trans-96.685171.9-80.1-171-24.700112.1F302Q300-F302 HydrophobicContact CB-CD2 4.43Å; Q300-F302 HydrophobicContact CB-CE2 3.91Å; Q300-F302 HydrophobicContact CG-CE2 4.3Å
301V48.7Very low69.9Low139 Ų13963.1 Ų63.184%0.84236%0.357SS*.  trans-89.594.3160.9-173.20000106.8G299 S303G299-V301 PolarHBondContact O-N 2.95Å; V301-S303 PolarHBondContact O-N 2.98Å
302F54.9Low68.8Low54 Ų5467.5 Ų67.524%0.23738%0.376CS..  trans-65.1126.4166.8-71.8-84.4000108.3W169 Q300 S304 L307W169-F302 HydrophobicContact CB-CE2 3.55Å; W169-F302 HydrophobicContact CB-CZ 3.42Å; W169-F302 VanDerWaalsContact CB-CZ 3.42Å; W169-F302 HydrophobicContact CG-CE2 4.35Å; Q300-F302 HydrophobicContact CB-CD2 4.43Å; Q300-F302 HydrophobicContact CB-CE2 3.91Å; Q300-F302 HydrophobicContact CG-CE2 4.3Å; F302-S304 PolarHBondContact O-N 2.86Å; F302-L307 HydrophobicContact CB-CD1 3.79Å; F302-L307 HydrophobicContact CB-CD2 4.41Å; F302-L307 HydrophobicContact CB-CG 4.05Å; F302-L307 HydrophobicContact CG-CD2 4.41Å
303S48.9Very low67.7Low66 Ų6673.4 Ų73.446%0.46241%0.408SS..  trans-57.6130.6167.2-53.50000108.1V301 E305 Q306V301-S303 PolarHBondContact O-N 2.98Å; S303-E305 PolarHBondContact O-N 3.44Å; S303-Q306 PolarHBondContact O-N 2.91Å
304S53.5Low66.6Low73 Ų7372.9 Ų72.951%0.5140%0.401SS..THydrogen-bonded Turntrans-53-15.1-179.7-1640000113.7F302 K312F302-S304 PolarHBondContact O-N 2.86Å; S304-K312 VanDerWaalsContact OG-CE 3.28Å; S304-K312 WeakPolarHBondContact OG-CE 3.42Å
305E54.6Low65.5Low190 Ų19074.7 Ų74.789%0.88842%0.415SS*.THydrogen-bonded Turntrans-81.9-20.8177.9-59.3-178.7179.200114.4S303S303-E305 PolarHBondContact O-N 3.44Å
306Q62.3Low64.1Low131 Ų13175.7 Ų75.761%0.61242%0.422SS*.SBendtrans-91.6-11.1-179.1-66.6-179.8-3.900113.5S303S303-Q306 PolarHBondContact O-N 2.91Å
307L70.1Confident62.6Low41 Ų4175.3 Ų75.322%0.21542%0.419CS..SBendtrans-99.6142.2-176-68172.9000111.2P168 F302P168-L307 HydrophobicContact CB-CD2 3.43Å; P168-L307 VanDerWaalsContact CB-CD2 3.43Å; P168-L307 HydrophobicContact CG-CD2 4.21Å; F302-L307 HydrophobicContact CB-CD1 3.79Å; F302-L307 HydrophobicContact CB-CD2 4.41Å; F302-L307 HydrophobicContact CB-CG 4.05Å; F302-L307 HydrophobicContact CG-CD2 4.41Å
308H70.1Confident60.8Low73 Ų7378.1 Ų78.134%0.33844%0.436SS..  trans-62.1139.9171.9-175.3-91000110.1G205 S310 W311G205-H308 PolarHBondContact O-N 3.49Å; H308-S310 WeakPolarHBondContact ND1-CB 3.38Å; H308-S310 PolarHBondContact ND1-N 3.02Å; H308-S310 PolarHBondContact ND1-OG 3.16Å; H308-S310 PolarHBondContact O-N 3.45Å; H308-W311 WeakPolarHBondContact O-CB 3.4Å; H308-W311 PolarHBondContact O-N 2.97Å
309P71.7Confident59.1Low89 Ų8979.1 Ų79.158%0.57844%0.436SS*.G310 helixtrans-54.5-28.6-173.2-2834.3000114.9W311 K312P309-W311 PolarHBondContact O-N 3.45Å; P309-K312 WeakPolarHBondContact O-CB 3.18Å; P309-K312 PolarHBondContact O-N 3Å
310S73.4Confident57.8Low31 Ų3177.9 Ų77.922%0.21741%0.412CS..G310 helixtrans-58.4-25.8176.861.80000113.8Y209 H308 K312 A314Y209-S310 PolarHBondContact N-OG 3.12Å; Y209-S310 VanDerWaalsContact N-OG 3.15Å; H308-S310 WeakPolarHBondContact ND1-CB 3.38Å; H308-S310 PolarHBondContact ND1-N 3.02Å; H308-S310 PolarHBondContact ND1-OG 3.16Å; H308-S310 PolarHBondContact O-N 3.45Å; S310-K312 VanDerWaalsContact C-N 3.29Å; S310-K312 PolarHBondContact O-N 3.44Å; S310-A314 PolarHBondContact O-N 3.2Å
311W75.9Confident57.1Low17 Ų1778 Ų786%0.06441%0.411CS..G310 helixtrans-76.7-14.2-178.7-6990.1000113.5V166 P168 A204 I207 Y209 H308 P309 N313 A314V166-W311 HydrophobicContact CB-CH2 4.25Å; V166-W311 HydrophobicContact CG1-CH2 3.92Å; V166-W311 WeakPolarHBondContact O-CZ3 3.44Å; P168-W311 HydrophobicContact CB-CD2 4.45Å; P168-W311 HydrophobicContact CB-CE3 4.14Å; P168-W311 HydrophobicContact CB-CZ3 4.31Å; P168-W311 HydrophobicContact CG-CD2 4.34Å; P168-W311 HydrophobicContact CG-CE3 3.68Å; P168-W311 HydrophobicContact CG-CZ3 3.99Å; A204-W311 VanDerWaalsContact C-CZ2 3.44Å; A204-W311 HydrophobicContact CB-CH2 3.99Å; A204-W311 HydrophobicContact CB-CZ2 4.02Å; A204-W311 WeakPolarHBondContact O-CZ2 3.44Å; A204-W311 PolarHBondContact O-NE1 2.8Å; I207-W311 PolarHBondContact O-NE1 2.99Å; Y209-W311 HydrophobicContact CD2-CD2 4.18Å; Y209-W311 AromaticContact CD2-CE3 3.86Å; Y209-W311 HydrophobicContact CD2-CE3 3.86Å; Y209-W311 AromaticContact CD2-CH2 3.66Å; Y209-W311 HydrophobicContact CD2-CH2 3.66Å; Y209-W311 AromaticContact CD2-CZ2 3.94Å; Y209-W311 HydrophobicContact CD2-CZ2 3.94Å; Y209-W311 AromaticContact CD2-CZ3 3.62Å; Y209-W311 HydrophobicContact CD2-CZ3 3.62Å; Y209-W311 HydrophobicContact CE2-CE3 4.47Å; Y209-W311 HydrophobicContact CE2-CH2 4.22Å; Y209-W311 AromaticContact CE2-CZ3 4Å; Y209-W311 HydrophobicContact CE2-CZ3 4Å; H308-W311 WeakPolarHBondContact O-CB 3.4Å; H308-W311 PolarHBondContact O-N 2.97Å; P309-W311 PolarHBondContact O-N 3.45Å; W311-N313 VanDerWaalsContact C-N 3.27Å; W311-N313 PolarHBondContact O-N 2.59Å; W311-A314 HydrophobicContact CE3-CB 4.22Å; W311-A314 PolarHBondContact O-N 2.93Å
312K65.6Low56.1Low110 Ų11076.3 Ų76.348%0.47841%0.405SS..G310 helixtrans-66.1-32.1176.6-66.3-175.2178.7-175.30112.4S304 P309 S310 R319S304-K312 VanDerWaalsContact OG-CE 3.28Å; S304-K312 WeakPolarHBondContact OG-CE 3.42Å; P309-K312 WeakPolarHBondContact O-CB 3.18Å; P309-K312 PolarHBondContact O-N 3Å; S310-K312 VanDerWaalsContact C-N 3.29Å; S310-K312 PolarHBondContact O-N 3.44Å; K312-R319 PolarHBondContact O-NH1 3.24Å; K312-R319 PolarHBondContact O-NH2 3.26Å
313N63.5Low54.7Low147 Ų14779 Ų7979%0.78643%0.426SS*.SBendtrans-104.70.2179.6-63.2-15.8000113.1W311W311-N313 VanDerWaalsContact C-N 3.27Å; W311-N313 PolarHBondContact O-N 2.59Å
314A61Low53.7Low9 Ų982.5 Ų82.57%0.07444%0.437CS..SBendtrans-70.5142.1179.600000110.6Y209 S310 W311 S316Y209-A314 HydrophobicContact CD1-CB 4.18Å; Y209-A314 HydrophobicContact CD2-CB 3.77Å; Y209-A314 HydrophobicContact CE1-CB 4.28Å; Y209-A314 HydrophobicContact CE2-CB 3.88Å; Y209-A314 HydrophobicContact CG-CB 3.93Å; S310-A314 PolarHBondContact O-N 3.2Å; W311-A314 HydrophobicContact CE3-CB 4.22Å; W311-A314 PolarHBondContact O-N 2.93Å; A314-S316 PolarHBondContact O-N 3.33Å
315P60.9Low52.6Low55 Ų5583.4 Ų83.436%0.35744%0.436SS..  trans-66.6103.9172.226.9-31.2000108.8L320P315-L320 HydrophobicContact CB-CD1 3.87Å; P315-L320 HydrophobicContact CB-CD2 4.42Å; P315-L320 HydrophobicContact CB-CG 4.06Å
316S56.8Low51.7Low26 Ų2677.9 Ų77.918%0.18242%0.417CS..  trans-81.2148.9169.2620000109.8A314 N318 R319 L320A314-S316 PolarHBondContact O-N 3.33Å; S316-N318 PolarHBondContact O-N 2.82Å; S316-N318 VanDerWaalsContact O-N 3.09Å; S316-R319 PolarHBondContact O-N 3.41Å; S316-R319 WeakPolarHBondContact OG-CB 3.36Å; S316-R319 PolarHBondContact OG-N 3.05Å; S316-R319 VanDerWaalsContact OG-N 3.1Å; S316-L320 PolarHBondContact O-N 3.08Å
317V51Low50.2Low30 Ų3078.1 Ų78.118%0.18242%0.418CS..Hα-helixtrans-56.3-26.1171.9179.70000110.3E167 K321E167-V317 HydrophobicContact CG-CG2 4.33Å; E167-V317 VanDerWaalsContact OE1-CB 3.24Å; E167-V317 WeakPolarHBondContact OE1-CB 3.43Å; E167-V317 VanDerWaalsContact OE1-CG2 3.3Å; E167-V317 WeakPolarHBondContact OE1-CG2 3.49Å; E167-V317 PolarHBondContact OE1-N 3.42Å; V317-K321 WeakPolarHBondContact O-CD 3.5Å; V317-K321 WeakPolarHBondContact O-CE 3.44Å; V317-K321 WeakPolarHBondContact O-CG 3.4Å
318N43.7Very low48.5Very low89 Ų8984.6 Ų84.648%0.47644%0.444SS..Hα-helixtrans-79.1-26174.9-67.5-18.3000114.5S316S316-N318 PolarHBondContact O-N 2.82Å; S316-N318 VanDerWaalsContact O-N 3.09Å
319R37.2Very low46.9Very low136 Ų13687.6 Ų87.651%0.51346%0.46SS..Hα-helixtrans-92.3-32.6177.7-91.1-170.9-118.7171.94113.8K312 S316 K321 S322K312-R319 PolarHBondContact O-NH1 3.24Å; K312-R319 PolarHBondContact O-NH2 3.26Å; S316-R319 PolarHBondContact O-N 3.41Å; S316-R319 WeakPolarHBondContact OG-CB 3.36Å; S316-R319 PolarHBondContact OG-N 3.05Å; S316-R319 VanDerWaalsContact OG-N 3.1Å; R319-K321 PolarHBondContact O-N 3.31Å; R319-S322 PolarHBondContact O-N 3.1Å
320L34.8Very low45.3Very low49 Ų4987.4 Ų87.426%0.25745%0.454SS..Hα-helixtrans-60.2-26.6175.8-81.2159.8000112.3S165 P315 S316 S322 T323 M324S165-L320 VanDerWaalsContact OG-CD1 3.26Å; S165-L320 WeakPolarHBondContact OG-CD1 3.45Å; P315-L320 HydrophobicContact CB-CD1 3.87Å; P315-L320 HydrophobicContact CB-CD2 4.42Å; P315-L320 HydrophobicContact CB-CG 4.06Å; S316-L320 PolarHBondContact O-N 3.08Å; L320-S322 PolarHBondContact O-N 2.97Å; L320-T323 PolarHBondContact O-N 3.36Å; L320-M324 HydrophobicContact CD2-CG 3.84Å; L320-M324 HydrophobicContact CD2-SD 3.73Å; L320-M324 PolarHBondContact O-N 3.12Å
321K40.6Very low43.3Very low84 Ų8491.1 Ų91.137%0.36547%0.471SS..THydrogen-bonded Turntrans-64.1-14.5172.8-69.8173.7-177179.30114.5V317 R319V317-K321 WeakPolarHBondContact O-CD 3.5Å; V317-K321 WeakPolarHBondContact O-CE 3.44Å; V317-K321 WeakPolarHBondContact O-CG 3.4Å; R319-K321 PolarHBondContact O-N 3.31Å
322S27.6Very low41.3Very low103 Ų10393.1 Ų93.172%0.7249%0.487SS*.THydrogen-bonded Turntrans-105.2-11.3-179.1177.50000113.9R319 L320R319-S322 PolarHBondContact O-N 3.1Å; L320-S322 PolarHBondContact O-N 2.97Å
323T26.3Very low39.9Very low111 Ų11197.8 Ų97.868%0.68150%0.502SS*.THydrogen-bonded Turntrans-138.11.5-165.261.30000116.3L320L320-T323 PolarHBondContact O-N 3.36Å
324M27.7Very low38.3Very low139 Ų13997.8 Ų97.869%0.68550%0.497SS*.  trans-87.3115.7173.4-64.6-157.192.100111L320 P326L320-M324 HydrophobicContact CD2-CG 3.84Å; L320-M324 HydrophobicContact CD2-SD 3.73Å; L320-M324 PolarHBondContact O-N 3.12Å; M324-P326 VanDerWaalsContact O-CD 3.31Å; M324-P326 WeakPolarHBondContact O-CD 3.46Å
325D30.6Very low36.8Very low92 Ų92105.2 Ų105.249%0.49253%0.53SS..  trans-65115.1177.5-172.2-3.1000111Q327 K328D325-Q327 PolarHBondContact O-N 3.41Å; D325-Q327 VanDerWaalsContact O-N 3.07Å; D325-Q327 PolarHBondContact OD1-N 2.8Å; D325-K328 PolarHBondContact O-N 3.12Å
326P34.6Very low35.3Very low74 Ų74106.2 Ų106.248%0.48155%0.55SS.*THydrogen-bonded Turntrans-57.2-24.4-177.7-24.634000113.7M324 K328 M329 L330M324-P326 VanDerWaalsContact O-CD 3.31Å; M324-P326 WeakPolarHBondContact O-CD 3.46Å; P326-K328 VanDerWaalsContact C-N 3.27Å; P326-K328 PolarHBondContact O-N 3.08Å; P326-M329 PolarHBondContact O-N 2.82Å; P326-M329 VanDerWaalsContact O-N 3.13Å; P326-L330 PolarHBondContact O-N 3.16Å; P326-L330 VanDerWaalsContact O-N 3.1Å
327Q32Very low33.8Very low135 Ų135110.2 Ų110.263%0.63158%0.578SS**Hα-helixtrans-62.1-30.7-176-68.6-173.2-18.900113.3D325 M329 L330 L331D325-Q327 PolarHBondContact O-N 3.41Å; D325-Q327 VanDerWaalsContact O-N 3.07Å; D325-Q327 PolarHBondContact OD1-N 2.8Å; Q327-M329 VanDerWaalsContact C-N 3.3Å; Q327-M329 PolarHBondContact O-N 3.29Å; Q327-L330 PolarHBondContact O-N 2.91Å; Q327-L331 WeakPolarHBondContact O-CD1 3.42Å; Q327-L331 WeakPolarHBondContact O-CG 3.3Å; Q327-L331 PolarHBondContact O-N 3.37Å
328K32.6Very low32.7Very low177 Ų177115 Ų11577%0.7761%0.61SS**Hα-helixtrans-74.7-18.9178.9-73.4-171.8179.2175.80113.9D325 P326D325-K328 PolarHBondContact O-N 3.12Å; P326-K328 VanDerWaalsContact C-N 3.27Å; P326-K328 PolarHBondContact O-N 3.08Å
329M37.3Very low31.8Very low137 Ų137117.6 Ų117.668%0.67563%0.629SS**Hα-helixtrans-93.7-25.9172.7-66.2-171.269.200112.2P326 Q327P326-M329 PolarHBondContact O-N 2.82Å; P326-M329 VanDerWaalsContact O-N 3.13Å; Q327-M329 VanDerWaalsContact C-N 3.3Å; Q327-M329 PolarHBondContact O-N 3.29Å
330L38.3Very low31.3Very low84 Ų84119.6 Ų119.644%0.4465%0.646SS.*Hα-helixtrans-73.7-27.5179-124.6130.4000113.9P326 Q327 S332 W333P326-L330 PolarHBondContact O-N 3.16Å; P326-L330 VanDerWaalsContact O-N 3.1Å; Q327-L330 PolarHBondContact O-N 2.91Å; L330-S332 PolarHBondContact O-N 3.26Å; L330-W333 PolarHBondContact O-N 2.95Å; L330-W333 VanDerWaalsContact O-N 3.13Å
331L30.7Very low31Very low110 Ų110126.9 Ų126.958%0.57668%0.679SS**THydrogen-bonded Turntrans-64.8-3.6-178.4-81.2161.5000115.6Q327Q327-L331 WeakPolarHBondContact O-CD1 3.42Å; Q327-L331 WeakPolarHBondContact O-CG 3.3Å; Q327-L331 PolarHBondContact O-N 3.37Å
332S34.7Very low30.1Very low58 Ų58126.7 Ų126.741%0.40670%0.7SS.*THydrogen-bonded Turntrans-95.1-0.4173.976.40000114.5N132 L330N132-S332 WeakPolarHBondContact ND2-CB 3.03Å; N132-S332 PolarHBondContact ND2-O 3.33Å; N132-S332 PolarHBondContact ND2-OG 2.77Å; L330-S332 PolarHBondContact O-N 3.26Å
333W36.5Very low29.9Very low209 Ų209125.3 Ų125.379%0.79270%0.703SS**THydrogen-bonded Turntrans-115.7-16.1-177-71.855.2000113.7N132 L330N132-W333 PolarHBondContact ND2-NE1 3.32Å; L330-W333 PolarHBondContact O-N 2.95Å; L330-W333 VanDerWaalsContact O-N 3.13Å
334E30.4Very low29.8Very low146 Ų146125.9 Ų125.968%0.68271%0.711SS**  trans-126.795.2175.9-70.1-175.2164.300110.6
335Q29.2Very low29.5Very low166 Ų166125 Ų12578%0.77672%0.718SS**  trans-157.283.5153.4-11316465.900110.2
336G28.8Very low29.2Very low75 Ų75124.6 Ų124.677%0.77373%0.728SS**  trans-73136.9146.200000108.8
337S25.2Very low28.8Very low111 Ų111127.4 Ų127.478%0.77674%0.744SS**  trans-6.4138.6175.5-54.30000119.9
338P27.3Very low28.4Very low131 Ų131127.9 Ų127.985%0.85175%0.751SS**  trans-81.3133.6178.333.4-30.9000111.6
339V26.2Very low28.1Very low143 Ų143126.4 Ų126.487%0.86776%0.757SS**  trans-113.1127.2161.1-177.10000107.7
340M26.9Very low27.4Very low178 Ų178127 Ų12788%0.87776%0.763SS**  trans-68.7141.6177.7-78.5172.965.800112.4
341E27.2Very low26.8Very low202 Ų202129.7 Ų129.794%0.94478%0.783SS**  trans168139.8139.3-95.7172.1-177.200106.4
342G22.8Very low26.4Very low79 Ų79130.4 Ų130.481%0.81479%0.792SS**  cis14793.77.700000109.9
343G21.7Very low25.9Very low75 Ų75132.6 Ų132.677%0.77381%0.808SS**  trans96.1133.6140.900000122.7
344S24.3Very low25.4Very low123 Ų123131 Ų13186%0.8681%0.814SS**  trans90120.4154.4-500000117.3
345S22.4Very low25.1Very low119 Ų119133 Ų13383%0.83282%0.823SS**  cis103.713124.4-173.30000114.7
346A24.6Very low24.8Very low84 Ų84133 Ų13369%0.69483%0.828SS**  trans81.6141162.300000117.3
347T25.6Very low24.7Very low134 Ų134138.6 Ų138.682%0.82283%0.834SS**  cis-171163.22.316.40000109
348D24.4Very low24.6Very low145 Ų145136.5 Ų136.578%0.77583%0.831SS**  trans-54157.6-178.2-51.5-58.7000117.4
349T25.6Very low24.3Very low145 Ų145138.2 Ų138.289%0.8983%0.833SS**  -160.5127.8125.7-27.70000112.5
350D22.4Very low24.2Very low151 Ų151138.6 Ų138.681%0.80784%0.835SS**  trans-74.2144.4166.9-70.7-48.2000112.3
351T25.3Very low24Very low139 Ų139133.3 Ų133.385%0.85383%0.827SS**  trans-146.7116.6143.6460000112.3
352T22.8Very low23.8Very low125 Ų125128.3 Ų128.377%0.76781%0.814SS**  trans-26.2132.5162.4510000120.4
353S24.3Very low23.8Very low105 Ų105131.6 Ų131.673%0.73482%0.818SS**  trans44.9127.8132.365.70000121
354L24.8Very low23.9Very low176 Ų176132.3 Ų132.392%0.92181%0.811SS**  -156.7123.8123.5-94.6169.2000108.8
355E25.1Very low23.9Very low187 Ų187131.8 Ų131.887%0.87481%0.807SS**  trans-71.9134.8174.5-61.6171.8151.800109.6
356D23.3Very low24.1Very low166 Ų166133.6 Ų133.689%0.88881%0.807SS**  trans-134.9122.2156.1-149.56.1000109.3
357Q26.3Very low24.2Very low192 Ų192134.9 Ų134.990%0.89781%0.811SS**  trans-80.2123.6178-73.5176.613.500108.7
358G22.5Very low24.4Very low68 Ų68135.3 Ų135.370%0.70181%0.807SS**  trans-167.993.8171.700000111.9
359D21.6Very low24.6Very low167 Ų167134.5 Ų134.589%0.89381%0.809SS**  trans3984.2152.9-64.5-22.9000118.8G361D359-G361 VanDerWaalsContact C-N 3.34Å; D359-G361 PolarHBondContact O-N 2.95Å; D359-G361 VanDerWaalsContact O-N 3.14Å
360T23.6Very low25Very low150 Ų150131.4 Ų131.492%0.9280%0.799SS**  trans-7788.5152.5340000108.8S362T360-S362 PolarHBondContact O-N 3.28Å
361G22.8Very low25.7Very low68 Ų68127.9 Ų127.970%0.70179%0.79SS**  trans-58.9105169.800000110.4D359 V363D359-G361 VanDerWaalsContact C-N 3.34Å; D359-G361 PolarHBondContact O-N 2.95Å; D359-G361 VanDerWaalsContact O-N 3.14Å; G361-V363 PolarHBondContact O-N 3.44Å; G361-V363 VanDerWaalsContact O-N 3.08Å
362S23.3Very low27Very low97 Ų97126.4 Ų126.468%0.67878%0.783SS**  trans-58.3109.7169.466.70000109.3T360 S364T360-S362 PolarHBondContact O-N 3.28Å; S362-S364 PolarHBondContact O-N 3.41Å
363V24Very low29Very low148 Ų148123.2 Ų123.290%0.89776%0.764SS**  trans-74.576.4160.3-93.70000107.8G361 S365G361-V363 PolarHBondContact O-N 3.44Å; G361-V363 VanDerWaalsContact O-N 3.08Å; V363-S365 VanDerWaalsContact C-N 3.32Å; V363-S365 PolarHBondContact O-N 3.42Å; V363-S365 VanDerWaalsContact O-N 3.13Å
364S23.1Very low31.6Very low89 Ų89123 Ų12362%0.62275%0.749SS**  trans-69.895.4157.7-62.30000106.2S362 L366S362-S364 PolarHBondContact O-N 3.41Å; S364-L366 PolarHBondContact O-N 3.06Å
365S24.1Very low34.5Very low112 Ų112114.8 Ų114.878%0.78371%0.706SS**  trans-66.290.4167.954.60000108.1V363 S367V363-S365 VanDerWaalsContact C-N 3.32Å; V363-S365 PolarHBondContact O-N 3.42Å; V363-S365 VanDerWaalsContact O-N 3.13Å; S365-S367 VanDerWaalsContact C-N 3.3Å; S365-S367 PolarHBondContact O-N 2.95Å
366L27.4Very low37.5Very low158 Ų158106.1 Ų106.183%0.82767%0.666SS**  trans-58.794.9164.5-80.5154.6000107.8S364 I368S364-L366 PolarHBondContact O-N 3.06Å; L366-I368 VanDerWaalsContact C-N 3.29Å; L366-I368 PolarHBondContact O-N 3.41Å
367S25.7Very low40.6Very low111 Ų11198.2 Ų98.278%0.77662%0.623SS**  trans-6890.5168.655.40000108.4S365S365-S367 VanDerWaalsContact C-N 3.3Å; S365-S367 PolarHBondContact O-N 2.95Å
368I28.9Very low43.8Very low143 Ų14389.1 Ų89.173%0.73358%0.581SS**  trans-57.9130.8157.1-58169.7000105.7L366 A370L366-I368 VanDerWaalsContact C-N 3.29Å; L366-I368 PolarHBondContact O-N 3.41Å; I368-A370 PolarHBondContact O-N 3.24Å
369P29Very low47Very low127 Ų12785.9 Ų85.983%0.82555%0.548SS*.  trans-69.986.6175.328.7-31.9000108.1
370A33.8Very low50.4Low81 Ų8178 Ų7867%0.66951%0.505SS*.  trans-63.8138.5167.400000108.1I368I368-A370 PolarHBondContact O-N 3.24Å
371A39Very low53.5Low77 Ų7770.9 Ų70.964%0.63646%0.462SS*.  trans-49.9148.3171.200000110.1T373A371-T373 PolarHBondContact O-N 2.89Å
372P51.9Low56.5Low107 Ų10769.2 Ų69.270%0.69544%0.439SS*.  trans-60.3103.1-178.223.6-32.2000109.7
373T65.1Low59.5Low59 Ų5966.5 Ų66.536%0.36242%0.419SS..PPolyproline II helixtrans-82.5124.1174.548.90000107.9A371 R375A371-T373 PolarHBondContact O-N 2.89Å; T373-R375 PolarHBondContact O-N 3.19Å
374K78.3Confident62.5Low100 Ų10059.7 Ų59.744%0.43538%0.377SS..PPolyproline II helixtrans-60.2138.8175.2-67.9-168.4178.5-161.90110.2N492 K496K374-N492 PolarHBondContact NZ-O 3.33Å; K374-K496 HydrophobicContact CB-CB 3.83Å; K374-K496 HydrophobicContact CD-CB 4.48Å
375R86Confident65.6Low4 Ų455.5 Ų55.52%0.01535%0.348CS..EExtended strand (participates in β ladder)trans-94167.7-175-53.3-171.9-177.7-165-5.7112D263 T373 E413 P470 D472 N494 Y495 K496D263-R375 IonicContact OD1-CZ 3.45Å; D263-R375 IonicContact OD1-NH1 3.87Å; T373-R375 PolarHBondContact O-N 3.19Å; R375-E413 IonicContact CZ-OE1 2.79Å; R375-E413 IonicContact NH1-OE1 3.74Å; R375-E413 PolarHBondContact NH1-OE1 3.45Å; R375-E413 IonicContact NH1-OE2 2.77Å; R375-E413 PolarHBondContact NH1-OE2 3.07Å; R375-E413 IonicContact NH2-OE1 3.88Å; R375-E413 PolarHBondContact NH2-OE1 2.86Å; R375-P470 WeakPolarHBondContact CA-O 3.24Å; R375-P470 HydrophobicContact CB-CB 4.39Å; R375-P470 WeakPolarHBondContact CB-O 3.29Å; R375-P470 HydrophobicContact CG-CB 3.91Å; R375-P470 HydrophobicContact CG-CG 4.32Å; R375-D472 WeakPolarHBondContact CD-OD1 3.36Å; R375-D472 IonicContact CZ-OD1 3.7Å; R375-D472 IonicContact NH1-OD1 3.43Å; R375-D472 PolarHBondContact NH1-OD1 3.34Å; R375-D472 IonicContact NH1-OD2 2.9Å; R375-N494 PolarHBondContact N-O 3.43Å; R375-Y495 HydrophobicContact CB-CD1 3.84Å; R375-Y495 HydrophobicContact CB-CE1 3.98Å; R375-Y495 CarbonylContact O-C 3.56Å; R375-Y495 VanDerWaalsContact O-CA 3.27Å; R375-Y495 WeakPolarHBondContact O-CA 3.1Å; R375-K496 PolarHBondContact O-N 2.86Å
376I87.6Confident68.4Low5 Ų551.5 Ų51.53%0.02632%0.322CS..EExtended strand (participates in β ladder)trans-89.4138.4162.3-61.7173.5000107.4L456 F469 P470 L471 D472 L497 V499I376-L456 HydrophobicContact CD1-CD1 4.48Å; I376-F469 HydrophobicContact CD1-CB 3.66Å; I376-F469 HydrophobicContact CD1-CD2 4.35Å; I376-F469 HydrophobicContact CD1-CG 4.3Å; I376-F469 HydrophobicContact CG1-CB 3.77Å; I376-F469 HydrophobicContact CG1-CG 4.35Å; I376-P470 PolarHBondContact N-O 3.21Å; I376-L471 HydrophobicContact CB-CD1 3.86Å; I376-L471 HydrophobicContact CG2-CD1 3.66Å; I376-L471 WeakPolarHBondContact O-CA 3.39Å; I376-D472 PolarHBondContact O-N 3.32Å; I376-L497 WeakPolarHBondContact CA-O 3.38Å; I376-L497 HydrophobicContact CG1-CB 4.43Å; I376-V499 HydrophobicContact CG2-CG2 4.29Å
377A89.6Confident71.1Confident0 Ų046.6 Ų46.60%029%0.294CS..EExtended strand (participates in β ladder)trans-110.6124.9171.600000110.8D472 L474 Y495 L497 L498 V499A377-D472 CarbonylContact C-O 3.56Å; A377-D472 WeakPolarHBondContact CA-O 3.42Å; A377-L474 HydrophobicContact CB-CD1 3.7Å; A377-L474 HydrophobicContact CB-CG 4.29Å; A377-Y495 HydrophobicContact CB-CD1 3.43Å; A377-Y495 VanDerWaalsContact CB-CD1 3.43Å; A377-Y495 HydrophobicContact CB-CD2 4.01Å; A377-Y495 HydrophobicContact CB-CE1 3.72Å; A377-Y495 HydrophobicContact CB-CE2 4.26Å; A377-Y495 HydrophobicContact CB-CG 3.62Å; A377-L497 PolarHBondContact N-O 2.72Å; A377-L498 HydrophobicContact CB-CD2 3.61Å; A377-L498 CarbonylContact O-C 3.54Å; A377-L498 WeakPolarHBondContact O-CA 3.2Å; A377-V499 PolarHBondContact O-N 2.81Å
378F91.8Very high73.8Confident0 Ų041.6 Ų41.60%026%0.258CS..EExtended strand (participates in β ladder)trans-95.6111.8171.7-175.1-106.8000110.2F380 L443 T446 L450 L471 D472 M473 L474 V499 M501 M723 L725F378-F380 HydrophobicContact CE1-CB 4.37Å; F378-L443 HydrophobicContact CE1-CD1 4.06Å; F378-T446 HydrophobicContact CE2-CG2 4.07Å; F378-T446 HydrophobicContact CZ-CG2 4.32Å; F378-L450 HydrophobicContact CB-CD1 4.36Å; F378-L450 HydrophobicContact CD2-CD1 3.74Å; F378-L450 HydrophobicContact CE2-CD1 4.45Å; F378-L450 HydrophobicContact CG-CD1 4.32Å; F378-L471 HydrophobicContact CB-CD1 4.14Å; F378-D472 PolarHBondContact N-O 2.89Å; F378-M473 HydrophobicContact CB-CG 4.48Å; F378-M473 HydrophobicContact CD1-CE 3.97Å; F378-M473 HydrophobicContact CD1-CG 4.49Å; F378-M473 HydrophobicContact CE1-CE 4.35Å; F378-M473 CarbonylContact O-C 3.59Å; F378-M473 WeakPolarHBondContact O-CA 3.28Å; F378-L474 PolarHBondContact O-N 3.27Å; F378-V499 CarbonylContact C-O 3.52Å; F378-V499 VanDerWaalsContact CA-O 3.31Å; F378-V499 WeakPolarHBondContact CA-O 3.49Å; F378-V499 HydrophobicContact CD2-CB 4.33Å; F378-V499 HydrophobicContact CD2-CG1 4.25Å; F378-V499 HydrophobicContact CE2-CG1 4.46Å; F378-M501 HydrophobicContact CE1-CB 4.35Å; F378-M501 HydrophobicContact CZ-CB 3.81Å; F378-M723 HydrophobicContact CE2-CB 4.05Å; F378-M723 HydrophobicContact CE2-CG 4.25Å; F378-L725 HydrophobicContact CE1-CD1 4.21Å; F378-L725 HydrophobicContact CZ-CD1 4.05Å; F378-L725 HydrophobicContact CZ-CD2 4.24Å; F378-L725 HydrophobicContact CZ-CG 4.45Å
379L91.4Very high76.2Confident1 Ų137.8 Ų37.81%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-87123.8-177.4-55-178.6000110.6L474 L479 L498 V499 M501 I511L379-L474 CarbonylContact C-O 3.54Å; L379-L474 WeakPolarHBondContact CA-O 3.25Å; L379-L474 HydrophobicContact CD2-CB 3.92Å; L379-L474 HydrophobicContact CD2-CD1 4.19Å; L379-L479 HydrophobicContact CD2-CD1 4.25Å; L379-L498 HydrophobicContact CD1-CB 4.27Å; L379-V499 PolarHBondContact N-O 3.16Å; L379-M501 PolarHBondContact O-N 2.94Å; L379-I511 HydrophobicContact CD1-CD1 3.68Å; L379-I511 HydrophobicContact CD1-CG1 4.3Å; L379-I511 HydrophobicContact CD2-CD1 3.93Å; L379-I511 HydrophobicContact CG-CD1 4.48Å
380F91.3Very high78.1Confident0 Ų038.3 Ų38.30%023%0.231CC..EExtended strand (participates in β ladder)trans-130167.7179.670-92.5000112.6F378 L384 T385 M404 M473 L474 R475 C476 M501F378-F380 HydrophobicContact CE1-CB 4.37Å; F380-L384 HydrophobicContact CB-CB 4.4Å; F380-L384 HydrophobicContact CB-CD2 3.59Å; F380-L384 HydrophobicContact CD1-CD2 4.47Å; F380-L384 HydrophobicContact CD2-CB 4.16Å; F380-L384 HydrophobicContact CD2-CD2 3.96Å; F380-L384 HydrophobicContact CG-CD2 3.75Å; F380-T385 HydrophobicContact CD2-CG2 4.36Å; F380-T385 HydrophobicContact CE2-CG2 3.62Å; F380-T385 HydrophobicContact CZ-CG2 4.44Å; F380-M404 HydrophobicContact CD1-CE 4.13Å; F380-M404 HydrophobicContact CD2-CE 4.15Å; F380-M404 HydrophobicContact CE1-CE 3.68Å; F380-M404 HydrophobicContact CE2-CB 4.23Å; F380-M404 HydrophobicContact CE2-CE 3.75Å; F380-M404 HydrophobicContact CG-CE 4.35Å; F380-M404 HydrophobicContact CZ-CB 3.79Å; F380-M404 HydrophobicContact CZ-CE 3.49Å; F380-M404 VanDerWaalsContact CZ-CE 3.49Å; F380-M404 HydrophobicContact CZ-CG 4.18Å; F380-M473 HydrophobicContact CD1-CB 3.94Å; F380-M473 HydrophobicContact CD1-CE 4.13Å; F380-M473 HydrophobicContact CE1-CB 3.7Å; F380-M473 HydrophobicContact CE1-CE 4.47Å; F380-L474 VanDerWaalsContact CD1-C 3.5Å; F380-L474 WeakPolarHBondContact CD1-O 3.42Å; F380-L474 PolarHBondContact N-O 3.37Å; F380-R475 HydrophobicContact CD2-CB 4.43Å; F380-R475 HydrophobicContact CE1-CB 4.38Å; F380-R475 HydrophobicContact CE2-CB 3.69Å; F380-R475 HydrophobicContact CE2-CG 4.03Å; F380-R475 HydrophobicContact CZ-CB 3.67Å; F380-R475 HydrophobicContact CZ-CG 4.49Å; F380-R475 WeakPolarHBondContact O-CA 3.47Å; F380-C476 PolarHBondContact O-N 3.14Å; F380-M501 WeakPolarHBondContact CA-SD 3.44Å; F380-M501 HydrophobicContact CB-CG 4.4Å; F380-M501 HydrophobicContact CB-SD 3.62Å
381D89.1Confident79.4Confident1 Ų134.9 Ų34.91%0.00520%0.203CC..  trans-111172.417965.417.4000114.3T383 L384 M501 L504 S505 I508D381-T383 VanDerWaalsContact CG-OG1 3.3Å; D381-T383 PolarHBondContact O-N 3.01Å; D381-T383 VanDerWaalsContact O-N 3.13Å; D381-T383 VanDerWaalsContact OD1-CB 3.3Å; D381-T383 WeakPolarHBondContact OD1-CB 3.33Å; D381-T383 PolarHBondContact OD1-N 3.19Å; D381-T383 VanDerWaalsContact OD1-N 3.07Å; D381-T383 PolarHBondContact OD1-OG1 3.45Å; D381-T383 PolarHBondContact OD2-OG1 3.42Å; D381-L384 WeakPolarHBondContact O-CB 3.33Å; D381-L384 PolarHBondContact O-N 2.76Å; D381-L384 PolarHBondContact OD1-N 2.86Å; D381-M501 HydrophobicContact CB-SD 4.31Å; D381-M501 PolarHBondContact N-SD 3.12Å; D381-M501 VanDerWaalsContact OD1-CE 3.27Å; D381-M501 WeakPolarHBondContact OD1-CE 3.33Å; D381-L504 HydrophobicContact CB-CD2 4.26Å; D381-S505 PolarHBondContact OD2-N 2.91Å; D381-I508 HydrophobicContact CB-CD1 3.04Å
382S86.6Confident80.6Confident33 Ų3338.6 Ų38.623%0.23121%0.213CC..Hα-helixtrans-58.7-23.9176.8-56.40000113.6L384 T385 A386 R475 E477S382-L384 VanDerWaalsContact C-N 3.3Å; S382-L384 PolarHBondContact O-N 3.37Å; S382-T385 WeakPolarHBondContact CA-OG1 2.9Å; S382-T385 PolarHBondContact O-N 3.02Å; S382-T385 PolarHBondContact O-OG1 3.22Å; S382-A386 WeakPolarHBondContact O-CB 3.31Å; S382-A386 PolarHBondContact O-N 3.05Å; S382-R475 PolarHBondContact OG-NE 2.9Å; S382-R475 PolarHBondContact OG-NH2 2.86Å; S382-E477 VanDerWaalsContact CB-OE1 3.28Å; S382-E477 WeakPolarHBondContact CB-OE1 3.39Å; S382-E477 PolarHBondContact N-OE1 2.92Å; S382-E477 VanDerWaalsContact OG-CD 3.23Å; S382-E477 PolarHBondContact OG-OE1 3.44Å
383T85.8Confident81.3Confident40 Ų4034.8 Ų34.825%0.24519%0.186CC..Hα-helixtrans-63.7-41.1179.580.20000110.2D381 T385 A386 F387D381-T383 VanDerWaalsContact CG-OG1 3.3Å; D381-T383 PolarHBondContact O-N 3.01Å; D381-T383 VanDerWaalsContact O-N 3.13Å; D381-T383 VanDerWaalsContact OD1-CB 3.3Å; D381-T383 WeakPolarHBondContact OD1-CB 3.33Å; D381-T383 PolarHBondContact OD1-N 3.19Å; D381-T383 VanDerWaalsContact OD1-N 3.07Å; D381-T383 PolarHBondContact OD1-OG1 3.45Å; D381-T383 PolarHBondContact OD2-OG1 3.42Å; T383-T385 PolarHBondContact O-N 3.41Å; T383-A386 WeakPolarHBondContact O-CB 3.45Å; T383-A386 PolarHBondContact O-N 2.87Å; T383-A386 VanDerWaalsContact O-N 3.15Å; T383-F387 WeakPolarHBondContact O-CD2 3.41Å; T383-F387 WeakPolarHBondContact O-CG 3.43Å; T383-F387 PolarHBondContact O-N 3.28Å
384L87.6Confident81.5Confident6 Ų632.7 Ų32.73%0.03117%0.174CC..Hα-helixtrans-58.4-46.9175.6-174.662.8000111.9F380 D381 S382 A386 F387 L388 M404 L443 M473 M501 L725F380-L384 HydrophobicContact CB-CB 4.4Å; F380-L384 HydrophobicContact CB-CD2 3.59Å; F380-L384 HydrophobicContact CD1-CD2 4.47Å; F380-L384 HydrophobicContact CD2-CB 4.16Å; F380-L384 HydrophobicContact CD2-CD2 3.96Å; F380-L384 HydrophobicContact CG-CD2 3.75Å; D381-L384 WeakPolarHBondContact O-CB 3.33Å; D381-L384 PolarHBondContact O-N 2.76Å; D381-L384 PolarHBondContact OD1-N 2.86Å; S382-L384 VanDerWaalsContact C-N 3.3Å; S382-L384 PolarHBondContact O-N 3.37Å; L384-A386 VanDerWaalsContact C-N 3.33Å; L384-A386 PolarHBondContact O-N 3.18Å; L384-F387 PolarHBondContact O-N 3.04Å; L384-L388 HydrophobicContact CG-CD1 4.5Å; L384-L388 WeakPolarHBondContact O-CG 3.47Å; L384-L388 PolarHBondContact O-N 3.31Å; L384-M404 HydrophobicContact CD2-CE 3.99Å; L384-L443 HydrophobicContact CD1-CD2 4.21Å; L384-L443 HydrophobicContact CD2-CD1 4.17Å; L384-L443 HydrophobicContact CD2-CD2 4.3Å; L384-M473 HydrophobicContact CD2-CE 3.98Å; L384-M501 HydrophobicContact CB-SD 4.34Å; L384-L725 HydrophobicContact CD1-CD1 4.02Å; L384-L725 HydrophobicContact CD2-CD1 4.36Å
385T87.1Confident81Confident1 Ų131.9 Ų31.91%0.00618%0.179CC..Hα-helixtrans-67.1-34.7178.652.80000112.5F380 S382 T383 L388 M389 M404 F405F380-T385 HydrophobicContact CD2-CG2 4.36Å; F380-T385 HydrophobicContact CE2-CG2 3.62Å; F380-T385 HydrophobicContact CZ-CG2 4.44Å; S382-T385 WeakPolarHBondContact CA-OG1 2.9Å; S382-T385 PolarHBondContact O-N 3.02Å; S382-T385 PolarHBondContact O-OG1 3.22Å; T383-T385 PolarHBondContact O-N 3.41Å; T385-L388 PolarHBondContact O-N 3.44Å; T385-M389 WeakPolarHBondContact O-CG 3.45Å; T385-M389 PolarHBondContact O-N 3.39Å; T385-M404 HydrophobicContact CG2-CB 3.7Å; T385-M404 HydrophobicContact CG2-CE 4.47Å; T385-F405 HydrophobicContact CG2-CB 4.25Å; T385-F405 WeakPolarHBondContact OG1-CD2 3.41Å
386A84.3Confident80.4Confident28 Ų2834.9 Ų34.923%0.23120%0.195CC..Hα-helixtrans-63.9-43.6175.600000110.9S382 T383 L384 L388 M389 M390S382-A386 WeakPolarHBondContact O-CB 3.31Å; S382-A386 PolarHBondContact O-N 3.05Å; T383-A386 WeakPolarHBondContact O-CB 3.45Å; T383-A386 PolarHBondContact O-N 2.87Å; T383-A386 VanDerWaalsContact O-N 3.15Å; L384-A386 VanDerWaalsContact C-N 3.33Å; L384-A386 PolarHBondContact O-N 3.18Å; A386-L388 VanDerWaalsContact C-N 3.33Å; A386-L388 PolarHBondContact O-N 3Å; A386-M389 PolarHBondContact O-N 3.08Å; A386-M389 VanDerWaalsContact O-N 3.12Å; A386-M390 WeakPolarHBondContact O-CB 3.49Å; A386-M390 VanDerWaalsContact O-CG 3.3Å; A386-M390 WeakPolarHBondContact O-CG 3.28Å; A386-M390 PolarHBondContact O-N 3.42Å
387F83.3Confident80.2Confident55 Ų5534.7 Ų34.724%0.24119%0.194CC..Hα-helixtrans-60.3-41.7176.4-58.3-36.7000112.4T383 L384 M389 G391 Y436T383-F387 WeakPolarHBondContact O-CD2 3.41Å; T383-F387 WeakPolarHBondContact O-CG 3.43Å; T383-F387 PolarHBondContact O-N 3.28Å; L384-F387 PolarHBondContact O-N 3.04Å; F387-M389 VanDerWaalsContact C-N 3.3Å; F387-M389 PolarHBondContact O-N 2.84Å; F387-G391 PolarHBondContact O-N 2.74Å; F387-Y436 HydrophobicContact CB-CD1 4.06Å; F387-Y436 AromaticContact CD1-CD1 3.66Å; F387-Y436 HydrophobicContact CD1-CD1 3.66Å; F387-Y436 AromaticContact CD1-CE1 3.48Å; F387-Y436 HydrophobicContact CD1-CE1 3.48Å; F387-Y436 VanDerWaalsContact CD1-CE1 3.48Å; F387-Y436 HydrophobicContact CE1-CD1 4.45Å; F387-Y436 AromaticContact CE1-CE1 3.98Å; F387-Y436 HydrophobicContact CE1-CE1 3.98Å; F387-Y436 HydrophobicContact CG-CD1 4.1Å; F387-Y436 HydrophobicContact CG-CE1 4.37Å
388L83.4Confident79.8Confident5 Ų539 Ų393%0.02621%0.213CC..Hα-helixtrans-69.2-26.5177.2-63.8172000113.1L384 T385 A386 L397 A401 M404 F418 L422L384-L388 HydrophobicContact CG-CD1 4.5Å; L384-L388 WeakPolarHBondContact O-CG 3.47Å; L384-L388 PolarHBondContact O-N 3.31Å; T385-L388 PolarHBondContact O-N 3.44Å; A386-L388 VanDerWaalsContact C-N 3.33Å; A386-L388 PolarHBondContact O-N 3Å; L388-L397 HydrophobicContact CD2-CD2 3.93Å; L388-L397 HydrophobicContact CD2-CG 4.37Å; L388-A401 HydrophobicContact CB-CB 3.65Å; L388-M404 HydrophobicContact CD1-CE 4.23Å; L388-M404 HydrophobicContact CD1-SD 3.97Å; L388-F418 HydrophobicContact CD1-CE2 4.35Å; L388-F418 HydrophobicContact CD1-CZ 4.08Å; L388-L422 HydrophobicContact CD2-CD2 4.37Å
389M77.7Confident79.4Confident63 Ų6340 Ų4031%0.3122%0.22SC..Hα-helixtrans-88.1-33179.1-73.6-165.4-69.500114.1T385 A386 F387 A401 V402T385-M389 WeakPolarHBondContact O-CG 3.45Å; T385-M389 PolarHBondContact O-N 3.39Å; A386-M389 PolarHBondContact O-N 3.08Å; A386-M389 VanDerWaalsContact O-N 3.12Å; F387-M389 VanDerWaalsContact C-N 3.3Å; F387-M389 PolarHBondContact O-N 2.84Å; M389-A401 HydrophobicContact CG-CB 3.71Å; M389-V402 HydrophobicContact SD-CG2 4.22Å
390M70.1Confident79.1Confident139 Ų13940.1 Ų40.169%0.68522%0.221SC*.Hα-helixtrans-80-26.3-174.8-73.9-179166.200113.3A386A386-M390 WeakPolarHBondContact O-CB 3.49Å; A386-M390 VanDerWaalsContact O-CG 3.3Å; A386-M390 WeakPolarHBondContact O-CG 3.28Å; A386-M390 PolarHBondContact O-N 3.42Å
391G59.8Low78.9Confident8 Ų840.1 Ų40.18%0.08222%0.221CC..SBendtrans-79.8142.7177.500000112.8F387 L393F387-G391 PolarHBondContact O-N 2.74Å; G391-L393 PolarHBondContact O-N 3.37Å
392N65.2Low78.7Confident156 Ų15641.6 Ų41.683%0.83423%0.229SC*.  trans-75.347.8166.5-164.127.1000111
393L66.8Low78.7Confident26 Ų2640.2 Ų40.214%0.13622%0.22CC..SBendtrans-77.2-48.3-168-60.9169.1000111.5G391 L397 V425G391-L393 PolarHBondContact O-N 3.37Å; L393-L397 HydrophobicContact CB-CD2 3.72Å; L393-L397 HydrophobicContact CD1-CD2 3.81Å; L393-L397 HydrophobicContact CG-CD2 4.42Å; L393-V425 HydrophobicContact CB-CG1 3.97Å; L393-V425 HydrophobicContact CB-CG2 4.15Å; L393-V425 HydrophobicContact CD2-CG1 3.56Å; L393-V425 HydrophobicContact CG-CG1 4.33Å
394S68.6Low78.8Confident15 Ų1538.3 Ų38.311%0.10521%0.208CC..  trans-169.1143.6171.6161.20000109.3N396 L397 E421S394-N396 VanDerWaalsContact C-N 3.27Å; S394-N396 PolarHBondContact O-N 3.43Å; S394-N396 PolarHBondContact OG-N 2.82Å; S394-L397 PolarHBondContact O-N 2.89Å; S394-E421 PolarHBondContact OG-OE2 3.31Å; S394-E421 VanDerWaalsContact OG-OE2 3.14Å
395P67.8Low78.8Confident83 Ų8340.4 Ų40.454%0.53922%0.217SC..Hα-helixtrans-62.5-33.6175.326-33.9000112.5K398P395-K398 PolarHBondContact O-N 3.4Å
396N74.8Confident78.7Confident68 Ų6841 Ų4136%0.36422%0.22SC..Hα-helixtrans-77.2-24178.8-66.9-10.1000112.2S394 K398 S399 H400 E421S394-N396 VanDerWaalsContact C-N 3.27Å; S394-N396 PolarHBondContact O-N 3.43Å; S394-N396 PolarHBondContact OG-N 2.82Å; N396-K398 PolarHBondContact O-N 2.91Å; N396-S399 PolarHBondContact O-N 3.39Å; N396-S399 PolarHBondContact O-OG 3.09Å; N396-H400 PolarHBondContact O-CD2 3.21Å; N396-H400 VanDerWaalsContact O-CD2 3.31Å; N396-E421 HydrophobicContact CB-CG 3.88Å; N396-E421 WeakPolarHBondContact CB-OE2 3.42Å; N396-E421 PolarHBondContact ND2-OE1 3.11Å; N396-E421 VanDerWaalsContact ND2-OE1 3.1Å
397L81.6Confident78.7Confident0 Ų039.9 Ų39.90%021%0.21CC..Hα-helixtrans-67.9-29.8174.9-167.467.1000111.6L388 L393 S394 S399 H400 A401 F418 E421 L422L388-L397 HydrophobicContact CD2-CD2 3.93Å; L388-L397 HydrophobicContact CD2-CG 4.37Å; L393-L397 HydrophobicContact CB-CD2 3.72Å; L393-L397 HydrophobicContact CD1-CD2 3.81Å; L393-L397 HydrophobicContact CG-CD2 4.42Å; S394-L397 PolarHBondContact O-N 2.89Å; L397-S399 PolarHBondContact O-N 2.83Å; L397-H400 PolarHBondContact O-N 3.33Å; L397-A401 WeakPolarHBondContact O-CB 3.25Å; L397-A401 PolarHBondContact O-N 2.83Å; L397-F418 HydrophobicContact CD1-CD2 3.76Å; L397-F418 HydrophobicContact CD1-CE2 3.36Å; L397-F418 HydrophobicContact CD1-CZ 4.3Å; L397-E421 HydrophobicContact CD1-CB 4.41Å; L397-L422 HydrophobicContact CD1-CD2 3.73Å; L397-L422 HydrophobicContact CD1-CG 4.09Å; L397-L422 HydrophobicContact CD2-CD2 4.12Å
398K82Confident78.7Confident90 Ų9037.3 Ų37.339%0.39120%0.199SC..Hα-helixtrans-64.2-37.8178.2-66.4-178.41801770112.3P395 N396 A401 V402P395-K398 PolarHBondContact O-N 3.4Å; N396-K398 PolarHBondContact O-N 2.91Å; K398-A401 PolarHBondContact O-N 3.13Å; K398-V402 WeakPolarHBondContact O-CB 3.21Å; K398-V402 VanDerWaalsContact O-CG2 3.26Å; K398-V402 WeakPolarHBondContact O-CG2 3.44Å; K398-V402 PolarHBondContact O-N 2.88Å
399S82.9Confident79Confident21 Ų2137.7 Ų37.715%0.14720%0.2CC..Hα-helixtrans-64.9-41.3177.262.80000111.3N396 L397 V402 T403N396-S399 PolarHBondContact O-N 3.39Å; N396-S399 PolarHBondContact O-OG 3.09Å; L397-S399 PolarHBondContact O-N 2.83Å; S399-V402 PolarHBondContact O-N 3.26Å; S399-T403 WeakPolarHBondContact O-CB 3.39Å; S399-T403 PolarHBondContact O-N 3.03Å; S399-T403 PolarHBondContact O-OG1 2.65Å
400H86.4Confident79.5Confident5 Ų534.8 Ų34.82%0.02319%0.186CC..Hα-helixtrans-63.7-43172.7-69.4-71000112.2P237 N396 L397 T403 M404 S417 F418P237-H400 VanDerWaalsContact CG-CE1 3.42Å; P237-H400 WeakPolarHBondContact CG-CE1 3.28Å; N396-H400 PolarHBondContact O-CD2 3.21Å; N396-H400 VanDerWaalsContact O-CD2 3.31Å; L397-H400 PolarHBondContact O-N 3.33Å; H400-T403 WeakPolarHBondContact O-CB 3.21Å; H400-T403 PolarHBondContact O-N 2.77Å; H400-M404 WeakPolarHBondContact O-CG 3.08Å; H400-M404 PolarHBondContact O-N 3.02Å; H400-S417 PolarHBondContact NE2-OG 3.43Å; H400-F418 HydrophobicContact CB-CD2 3.59Å; H400-F418 HydrophobicContact CB-CE2 4.02Å; H400-F418 AromaticContact CG-CD2 3.81Å
401A86.6Confident80.3Confident0 Ų028.8 Ų28.80%016%0.158CC..Hα-helixtrans-63.5-42177.400000112.5L388 M389 L397 K398 T403 M404 F405L388-A401 HydrophobicContact CB-CB 3.65Å; M389-A401 HydrophobicContact CG-CB 3.71Å; L397-A401 WeakPolarHBondContact O-CB 3.25Å; L397-A401 PolarHBondContact O-N 2.83Å; K398-A401 PolarHBondContact O-N 3.13Å; A401-T403 VanDerWaalsContact C-N 3.31Å; A401-T403 PolarHBondContact O-N 3.32Å; A401-M404 PolarHBondContact O-N 3Å; A401-F405 WeakPolarHBondContact O-CB 3.23Å; A401-F405 PolarHBondContact O-N 3.28Å
402V84.9Confident81.5Confident31 Ų3129.5 Ų29.519%0.18816%0.16CC..Hα-helixtrans-62.8-40.4173.5170.60000110.6F241 M389 K398 S399 F405 E406F241-V402 HydrophobicContact CB-CG1 4.14Å; M389-V402 HydrophobicContact SD-CG2 4.22Å; K398-V402 WeakPolarHBondContact O-CB 3.21Å; K398-V402 VanDerWaalsContact O-CG2 3.26Å; K398-V402 WeakPolarHBondContact O-CG2 3.44Å; K398-V402 PolarHBondContact O-N 2.88Å; S399-V402 PolarHBondContact O-N 3.26Å; V402-F405 PolarHBondContact O-N 3.37Å; V402-E406 HydrophobicContact CG1-CG 4.21Å; V402-E406 WeakPolarHBondContact O-CB 3.4Å; V402-E406 PolarHBondContact O-N 3.43Å
403T86.6Confident82.3Confident4 Ų425.4 Ų25.43%0.02514%0.136CC..Hα-helixtrans-61.2-48.4174.7-53.40000111P237 L238 S399 H400 A401 F405 V407 G408P237-T403 WeakPolarHBondContact CA-OG1 3.45Å; L238-T403 HydrophobicContact CG-CG2 4.4Å; L238-T403 PolarHBondContact N-OG1 2.95Å; S399-T403 WeakPolarHBondContact O-CB 3.39Å; S399-T403 PolarHBondContact O-N 3.03Å; S399-T403 PolarHBondContact O-OG1 2.65Å; H400-T403 WeakPolarHBondContact O-CB 3.21Å; H400-T403 PolarHBondContact O-N 2.77Å; A401-T403 VanDerWaalsContact C-N 3.31Å; A401-T403 PolarHBondContact O-N 3.32Å; T403-F405 PolarHBondContact O-N 3.08Å; T403-V407 HydrophobicContact CG2-CB 4.24Å; T403-V407 HydrophobicContact CG2-CG2 3.83Å; T403-V407 WeakPolarHBondContact O-CA 3.25Å; T403-V407 VanDerWaalsContact O-CB 3.23Å; T403-V407 WeakPolarHBondContact O-CB 3.4Å; T403-V407 PolarHBondContact O-N 3.15Å; T403-G408 PolarHBondContact O-N 3.41Å
404M87.1Confident83.1Confident0 Ų025 Ų250%013%0.134CC..Hα-helixtrans-60.2-32.7176.8-73.4174.967.300112.6F380 L384 T385 L388 H400 A401 G408 L410 F418 M473F380-M404 HydrophobicContact CD1-CE 4.13Å; F380-M404 HydrophobicContact CD2-CE 4.15Å; F380-M404 HydrophobicContact CE1-CE 3.68Å; F380-M404 HydrophobicContact CE2-CB 4.23Å; F380-M404 HydrophobicContact CE2-CE 3.75Å; F380-M404 HydrophobicContact CG-CE 4.35Å; F380-M404 HydrophobicContact CZ-CB 3.79Å; F380-M404 HydrophobicContact CZ-CE 3.49Å; F380-M404 VanDerWaalsContact CZ-CE 3.49Å; F380-M404 HydrophobicContact CZ-CG 4.18Å; L384-M404 HydrophobicContact CD2-CE 3.99Å; T385-M404 HydrophobicContact CG2-CB 3.7Å; T385-M404 HydrophobicContact CG2-CE 4.47Å; L388-M404 HydrophobicContact CD1-CE 4.23Å; L388-M404 HydrophobicContact CD1-SD 3.97Å; H400-M404 WeakPolarHBondContact O-CG 3.08Å; H400-M404 PolarHBondContact O-N 3.02Å; A401-M404 PolarHBondContact O-N 3Å; M404-G408 VanDerWaalsContact O-CA 3.25Å; M404-G408 WeakPolarHBondContact O-CA 3.47Å; M404-G408 PolarHBondContact O-N 2.98Å; M404-L410 HydrophobicContact CG-CB 4.05Å; M404-L410 HydrophobicContact CG-CD2 4.42Å; M404-L410 HydrophobicContact SD-CD2 4.32Å; M404-F418 HydrophobicContact SD-CE2 4.34Å; M404-F418 HydrophobicContact SD-CZ 4.16Å; M404-M473 HydrophobicContact CE-CE 3.52Å; M404-M473 HydrophobicContact CE-SD 4.29Å
405F87.1Confident83.9Confident50 Ų5024.2 Ų24.222%0.21913%0.129CC..Hα-helixtrans-78.1-56.4177.1-170.6-96.4000111.9M243 T385 A401 V402 T403 R475M243-F405 HydrophobicContact CE-CD1 3.8Å; M243-F405 HydrophobicContact CE-CE1 4.19Å; M243-F405 HydrophobicContact SD-CD1 4.31Å; M243-F405 HydrophobicContact SD-CE1 4.08Å; T385-F405 HydrophobicContact CG2-CB 4.25Å; T385-F405 WeakPolarHBondContact OG1-CD2 3.41Å; A401-F405 WeakPolarHBondContact O-CB 3.23Å; A401-F405 PolarHBondContact O-N 3.28Å; V402-F405 PolarHBondContact O-N 3.37Å; T403-F405 PolarHBondContact O-N 3.08Å; F405-R475 VanDerWaalsContact CD2-CZ 3.49Å; F405-R475 VanDerWaalsContact CE2-CZ 3.45Å; F405-R475 PolarHBondContact O-NH1 2.88Å
406E85Confident84.8Confident14 Ų1424 Ų247%0.06512%0.123CC..Hα-helixtrans-77.5-47.7-171.7-71.2-64.1144.900113.3L238 F241 M243 Y256 V402 G408L238-E406 HydrophobicContact CD1-CB 4.19Å; F241-E406 HydrophobicContact CD1-CB 4.36Å; F241-E406 HydrophobicContact CD1-CG 3.69Å; F241-E406 HydrophobicContact CE1-CB 4.14Å; F241-E406 HydrophobicContact CE1-CG 3.61Å; F241-E406 WeakPolarHBondContact CE1-OE2 3.42Å; F241-E406 HydrophobicContact CZ-CG 4.43Å; M243-E406 HydrophobicContact CE-CG 4.01Å; M243-E406 VanDerWaalsContact CE-OE1 3.25Å; M243-E406 WeakPolarHBondContact CE-OE1 3.33Å; M243-E406 VanDerWaalsContact CG-OE1 3.25Å; M243-E406 WeakPolarHBondContact CG-OE1 3.48Å; Y256-E406 WeakPolarHBondContact CE1-O 3.35Å; Y256-E406 PolarHBondContact OH-OE2 3.42Å; V402-E406 HydrophobicContact CG1-CG 4.21Å; V402-E406 WeakPolarHBondContact O-CB 3.4Å; V402-E406 PolarHBondContact O-N 3.43Å; E406-G408 VanDerWaalsContact C-N 3.33Å
407V84.4Confident85.3Confident5 Ų523.7 Ų23.73%0.0313%0.126CC..THydrogen-bonded Turntrans-75.1-32176.6-173.40000109.9V235 L238 F259 V260 T403 K409V235-V407 HydrophobicContact CG1-CG2 4.4Å; L238-V407 HydrophobicContact CD1-CG2 3.47Å; L238-V407 VanDerWaalsContact CD1-CG2 3.47Å; L238-V407 HydrophobicContact CD2-CG2 4.47Å; L238-V407 HydrophobicContact CG-CG2 3.9Å; F259-V407 HydrophobicContact CB-CG1 4.21Å; F259-V407 HydrophobicContact CG-CG1 4.45Å; V260-V407 VanDerWaalsContact CG2-O 3.25Å; V260-V407 WeakPolarHBondContact CG2-O 3.49Å; T403-V407 HydrophobicContact CG2-CB 4.24Å; T403-V407 HydrophobicContact CG2-CG2 3.83Å; T403-V407 WeakPolarHBondContact O-CA 3.25Å; T403-V407 VanDerWaalsContact O-CB 3.23Å; T403-V407 WeakPolarHBondContact O-CB 3.4Å; T403-V407 PolarHBondContact O-N 3.15Å; V407-K409 HydrophobicContact CG1-CB 4.38Å; V407-K409 PolarHBondContact O-N 2.86Å
408G84.8Confident85.6Confident0 Ų023.7 Ų23.70%013%0.126CC..  trans74.87.9-175.500000114.1T403 M404 E406 L474 R475 S478T403-G408 PolarHBondContact O-N 3.41Å; M404-G408 VanDerWaalsContact O-CA 3.25Å; M404-G408 WeakPolarHBondContact O-CA 3.47Å; M404-G408 PolarHBondContact O-N 2.98Å; E406-G408 VanDerWaalsContact C-N 3.33Å; G408-L474 WeakPolarHBondContact O-CA 3.41Å; G408-R475 PolarHBondContact O-N 3.44Å; G408-S478 VanDerWaalsContact CA-OG 3.28Å; G408-S478 WeakPolarHBondContact CA-OG 3.34Å
409K88.5Confident85.9Confident13 Ų1320.1 Ų20.16%0.05711%0.111CC..EExtended strand (participates in β ladder)trans-144.1138.9-179.6177.1173.8174.3-175.70110.5I262 D263 V407 D472 M473 L474I262-K409 PolarHBondContact O-NZ 3.12Å; D263-K409 IonicContact OD1-NZ 3.1Å; D263-K409 PolarHBondContact OD1-NZ 3.31Å; V407-K409 HydrophobicContact CG1-CB 4.38Å; V407-K409 PolarHBondContact O-N 2.86Å; K409-D472 WeakPolarHBondContact CE-OD2 3.29Å; K409-D472 IonicContact NZ-OD2 3.34Å; K409-D472 PolarHBondContact NZ-OD2 3.03Å; K409-M473 CarbonylContact C-O 3.56Å; K409-M473 VanDerWaalsContact CA-O 3.27Å; K409-M473 WeakPolarHBondContact CA-O 3.49Å; K409-L474 HydrophobicContact CB-CD2 3.78Å; K409-L474 HydrophobicContact CD-CD2 3.85Å; K409-L474 HydrophobicContact CG-CD2 3.61Å
410L88.7Confident86Confident2 Ų221.2 Ų21.21%0.0112%0.121CC..EExtended strand (participates in β ladder)trans-122.5120.1164-170.173.3000107.5M404 T414 L415 F418 D472 M473M404-L410 HydrophobicContact CG-CB 4.05Å; M404-L410 HydrophobicContact CG-CD2 4.42Å; M404-L410 HydrophobicContact SD-CD2 4.32Å; L410-T414 WeakPolarHBondContact CD1-OG1 3.41Å; L410-T414 WeakPolarHBondContact CG-OG1 3.43Å; L410-L415 HydrophobicContact CD2-CD1 3.97Å; L410-F418 HydrophobicContact CD2-CB 4.01Å; L410-F418 HydrophobicContact CD2-CD1 3.86Å; L410-F418 HydrophobicContact CD2-CD2 4.35Å; L410-F418 HydrophobicContact CD2-CE1 4.37Å; L410-F418 HydrophobicContact CD2-CG 3.83Å; L410-D472 CarbonylContact O-C 3.43Å; L410-D472 WeakPolarHBondContact O-CA 3.47Å; L410-M473 HydrophobicContact CB-CB 4.21Å; L410-M473 HydrophobicContact CD2-SD 4.16Å; L410-M473 PolarHBondContact N-O 3.3Å; L410-M473 PolarHBondContact O-N 3.22Å
411S86.3Confident85.9Confident14 Ų1421.6 Ų21.610%0.09812%0.123CC..  trans-87.6157-175.375.40000112.2E413 T414 L415 D472S411-E413 WeakPolarHBondContact CB-OE2 3.32Å; S411-E413 PolarHBondContact O-N 3.47Å; S411-E413 VanDerWaalsContact O-N 3.09Å; S411-E413 PolarHBondContact OG-OE2 3.28Å; S411-T414 PolarHBondContact N-OG1 3.31Å; S411-T414 PolarHBondContact O-N 2.82Å; S411-T414 PolarHBondContact O-OG1 3.25Å; S411-L415 PolarHBondContact O-N 2.94Å; S411-D472 WeakPolarHBondContact CA-OD1 3.42Å
412D84.6Confident85.8Confident23 Ų2322 Ų2212%0.12313%0.126CC..Hα-helixtrans-50.4-36179.3-172.284000113.1T414 L415 R451 P470 L471 D472D412-T414 VanDerWaalsContact C-N 3.3Å; D412-T414 PolarHBondContact O-N 3.29Å; D412-L415 WeakPolarHBondContact O-CB 3.25Å; D412-L415 PolarHBondContact O-N 3.38Å; D412-R451 IonicContact OD1-CZ 3.64Å; D412-R451 IonicContact OD1-NE 3.37Å; D412-R451 PolarHBondContact OD1-NE 3.31Å; D412-R451 IonicContact OD1-NH2 2.62Å; D412-R451 IonicContact OD2-CZ 3.61Å; D412-R451 IonicContact OD2-NE 2.65Å; D412-R451 IonicContact OD2-NH2 3.7Å; D412-R451 PolarHBondContact OD2-NH2 3.49Å; D412-P470 HydrophobicContact CB-CB 3.89Å; D412-P470 WeakPolarHBondContact OD1-CA 3.32Å; D412-L471 VanDerWaalsContact CA-O 3.24Å; D412-L471 WeakPolarHBondContact CA-O 3.37Å; D412-L471 WeakPolarHBondContact CB-O 3.27Å; D412-L471 PolarHBondContact N-O 3.31Å; D412-L471 PolarHBondContact OD1-N 2.96Å; D412-D472 PolarHBondContact N-OD1 3.41Å
413E82.8Confident85.7Confident70 Ų7026.9 Ų26.933%0.32715%0.146SC..Hα-helixtrans-65.6-33.2-179-57.984.3-179.200112.9R375 S411R375-E413 IonicContact CZ-OE1 2.79Å; R375-E413 IonicContact NH1-OE1 3.74Å; R375-E413 PolarHBondContact NH1-OE1 3.45Å; R375-E413 IonicContact NH1-OE2 2.77Å; R375-E413 PolarHBondContact NH1-OE2 3.07Å; R375-E413 IonicContact NH2-OE1 3.88Å; R375-E413 PolarHBondContact NH2-OE1 2.86Å; S411-E413 WeakPolarHBondContact CB-OE2 3.32Å; S411-E413 PolarHBondContact O-N 3.47Å; S411-E413 VanDerWaalsContact O-N 3.09Å; S411-E413 PolarHBondContact OG-OE2 3.28Å
414T84.1Confident85.5Confident16 Ų1632.6 Ų32.610%0.09817%0.171CC..Hα-helixtrans-89.1-11.8177.860.90000112.9P237 L410 S411 D412 D416 S417 F418P237-T414 HydrophobicContact CG-CG2 4.21Å; L410-T414 WeakPolarHBondContact CD1-OG1 3.41Å; L410-T414 WeakPolarHBondContact CG-OG1 3.43Å; S411-T414 PolarHBondContact N-OG1 3.31Å; S411-T414 PolarHBondContact O-N 2.82Å; S411-T414 PolarHBondContact O-OG1 3.25Å; D412-T414 VanDerWaalsContact C-N 3.3Å; D412-T414 PolarHBondContact O-N 3.29Å; T414-D416 VanDerWaalsContact C-N 3.34Å; T414-D416 PolarHBondContact O-N 2.84Å; T414-S417 PolarHBondContact O-N 2.81Å; T414-F418 PolarHBondContact O-N 3.27Å; T414-F418 VanDerWaalsContact O-N 3.15Å
415L85.4Confident84.9Confident0 Ų033.3 Ų33.30%018%0.175CC..Hα-helixtrans-68.6-33-174.3-165.365000112.2L410 S411 D412 F418 L419 I447 L471 M473L410-L415 HydrophobicContact CD2-CD1 3.97Å; S411-L415 PolarHBondContact O-N 2.94Å; D412-L415 WeakPolarHBondContact O-CB 3.25Å; D412-L415 PolarHBondContact O-N 3.38Å; L415-F418 HydrophobicContact CD1-CD1 4.05Å; L415-F418 WeakPolarHBondContact O-CB 3.47Å; L415-F418 PolarHBondContact O-N 3.24Å; L415-L419 HydrophobicContact CG-CD1 4.43Å; L415-L419 WeakPolarHBondContact O-CB 3.46Å; L415-L419 VanDerWaalsContact O-CG 3.3Å; L415-L419 WeakPolarHBondContact O-CG 3.44Å; L415-L419 PolarHBondContact O-N 3.37Å; L415-I447 HydrophobicContact CD1-CD1 4.13Å; L415-I447 HydrophobicContact CD1-CG2 4.17Å; L415-I447 HydrophobicContact CD2-CG2 3.68Å; L415-I447 HydrophobicContact CG-CG2 4.01Å; L415-L471 HydrophobicContact CD2-CB 4Å; L415-L471 HydrophobicContact CD2-CD2 4.12Å; L415-L471 HydrophobicContact CD2-CG 4.4Å; L415-M473 HydrophobicContact CD1-CG 4.48Å; L415-M473 HydrophobicContact CD1-SD 4.11Å
416D85.7Confident83.6Confident79 Ų7938 Ų3842%0.42220%0.198SC..Hα-helixtrans-63.3-42.8176-76.5-48.4000112.2T414 F418 L419 A420 R451T414-D416 VanDerWaalsContact C-N 3.34Å; T414-D416 PolarHBondContact O-N 2.84Å; D416-F418 VanDerWaalsContact C-N 3.32Å; D416-L419 PolarHBondContact O-N 2.88Å; D416-A420 WeakPolarHBondContact O-CB 3.26Å; D416-A420 PolarHBondContact O-N 2.97Å; D416-R451 VanDerWaalsContact CG-NH1 3.34Å; D416-R451 IonicContact OD1-CZ 3.7Å; D416-R451 IonicContact OD1-NH1 2.86Å; D416-R451 PolarHBondContact OD1-NH1 2.9Å; D416-R451 IonicContact OD1-NH2 3.24Å; D416-R451 IonicContact OD2-CZ 2.72Å; D416-R451 IonicContact OD2-NH1 3.4Å; D416-R451 PolarHBondContact OD2-NH1 3.46Å; D416-R451 IonicContact OD2-NH2 3.27Å; D416-R451 PolarHBondContact OD2-NH2 2.9Å
417S86.8Confident82.4Confident61 Ų6141.3 Ų41.343%0.42722%0.222SC..Hα-helixtrans-62.1-43172.9-175.80000111H400 T414 A420 E421H400-S417 PolarHBondContact NE2-OG 3.43Å; T414-S417 PolarHBondContact O-N 2.81Å; S417-A420 PolarHBondContact O-N 2.87Å; S417-E421 WeakPolarHBondContact O-CG 3.46Å; S417-E421 PolarHBondContact O-N 3.36Å
418F87.6Confident80.9Confident0 Ų046.8 Ų46.80%026%0.256CS..Hα-helixtrans-63.6-43178.2179.6-115.2000112.5L388 L397 H400 M404 L410 T414 L415 D416 A420 E421 L422 L443 I447 M473L388-F418 HydrophobicContact CD1-CE2 4.35Å; L388-F418 HydrophobicContact CD1-CZ 4.08Å; L397-F418 HydrophobicContact CD1-CD2 3.76Å; L397-F418 HydrophobicContact CD1-CE2 3.36Å; L397-F418 HydrophobicContact CD1-CZ 4.3Å; H400-F418 HydrophobicContact CB-CD2 3.59Å; H400-F418 HydrophobicContact CB-CE2 4.02Å; H400-F418 AromaticContact CG-CD2 3.81Å; M404-F418 HydrophobicContact SD-CE2 4.34Å; M404-F418 HydrophobicContact SD-CZ 4.16Å; L410-F418 HydrophobicContact CD2-CB 4.01Å; L410-F418 HydrophobicContact CD2-CD1 3.86Å; L410-F418 HydrophobicContact CD2-CD2 4.35Å; L410-F418 HydrophobicContact CD2-CE1 4.37Å; L410-F418 HydrophobicContact CD2-CG 3.83Å; T414-F418 PolarHBondContact O-N 3.27Å; T414-F418 VanDerWaalsContact O-N 3.15Å; L415-F418 HydrophobicContact CD1-CD1 4.05Å; L415-F418 WeakPolarHBondContact O-CB 3.47Å; L415-F418 PolarHBondContact O-N 3.24Å; D416-F418 VanDerWaalsContact C-N 3.32Å; F418-A420 VanDerWaalsContact C-N 3.35Å; F418-A420 PolarHBondContact O-N 3.26Å; F418-E421 PolarHBondContact O-N 3.47Å; F418-L422 HydrophobicContact CD1-CD1 3.8Å; F418-L422 HydrophobicContact CD1-CG 4.42Å; F418-L422 HydrophobicContact CE1-CD1 3.38Å; F418-L422 HydrophobicContact CE1-CG 4.14Å; F418-L422 HydrophobicContact CE2-CD1 4.36Å; F418-L422 HydrophobicContact CE2-CD2 4.44Å; F418-L422 HydrophobicContact CE2-CG 4.26Å; F418-L422 HydrophobicContact CG-CD1 4.46Å; F418-L422 HydrophobicContact CZ-CD1 3.7Å; F418-L422 HydrophobicContact CZ-CD2 4.21Å; F418-L422 HydrophobicContact CZ-CG 4.05Å; F418-L422 WeakPolarHBondContact O-CG 3.26Å; F418-L422 PolarHBondContact O-N 2.87Å; F418-L443 HydrophobicContact CE1-CD2 3.94Å; F418-L443 HydrophobicContact CZ-CD2 3.89Å; F418-I447 HydrophobicContact CD1-CD1 4.22Å; F418-I447 HydrophobicContact CE1-CD1 3.91Å; F418-M473 HydrophobicContact CE1-SD 4.22Å
419L87.1Confident79.7Confident14 Ų1448.8 Ų48.87%0.07327%0.273CS..Hα-helixtrans-64.2-38.8176.7-73.5171.2000112.2L415 D416 E421 L422 E423 K444 I447 L448L415-L419 HydrophobicContact CG-CD1 4.43Å; L415-L419 WeakPolarHBondContact O-CB 3.46Å; L415-L419 VanDerWaalsContact O-CG 3.3Å; L415-L419 WeakPolarHBondContact O-CG 3.44Å; L415-L419 PolarHBondContact O-N 3.37Å; D416-L419 PolarHBondContact O-N 2.88Å; L419-E421 VanDerWaalsContact C-N 3.34Å; L419-L422 PolarHBondContact O-N 3.4Å; L419-E423 PolarHBondContact O-N 3Å; L419-K444 HydrophobicContact CD2-CB 4.49Å; L419-K444 HydrophobicContact CD2-CG 3.94Å; L419-I447 HydrophobicContact CD1-CG2 3.98Å; L419-I447 HydrophobicContact CD2-CB 4.13Å; L419-I447 HydrophobicContact CD2-CD1 4.3Å; L419-I447 HydrophobicContact CD2-CG2 3.8Å; L419-I447 HydrophobicContact CG-CG2 4.22Å; L419-L448 HydrophobicContact CD1-CD2 4.17Å
420A85.9Confident78.2Confident44 Ų4457 Ų5736%0.36431%0.311SS..Hα-helixtrans-65.1-37.6174.500000111.9D416 S417 F418 E423 K424D416-A420 WeakPolarHBondContact O-CB 3.26Å; D416-A420 PolarHBondContact O-N 2.97Å; S417-A420 PolarHBondContact O-N 2.87Å; F418-A420 VanDerWaalsContact C-N 3.35Å; F418-A420 PolarHBondContact O-N 3.26Å; A420-E423 PolarHBondContact O-N 3.3Å; A420-K424 WeakPolarHBondContact O-CG 3.46Å; A420-K424 PolarHBondContact O-N 3.34Å
421E85Confident77.3Confident13 Ų1358.9 Ų58.96%0.06133%0.33CS..Hα-helixtrans-71.3-37.5174.5-69.7-57.6148.300112.6S394 N396 L397 S417 F418 L419 E423 K424S394-E421 PolarHBondContact OG-OE2 3.31Å; S394-E421 VanDerWaalsContact OG-OE2 3.14Å; N396-E421 HydrophobicContact CB-CG 3.88Å; N396-E421 WeakPolarHBondContact CB-OE2 3.42Å; N396-E421 PolarHBondContact ND2-OE1 3.11Å; N396-E421 VanDerWaalsContact ND2-OE1 3.1Å; L397-E421 HydrophobicContact CD1-CB 4.41Å; S417-E421 WeakPolarHBondContact O-CG 3.46Å; S417-E421 PolarHBondContact O-N 3.36Å; F418-E421 PolarHBondContact O-N 3.47Å; L419-E421 VanDerWaalsContact C-N 3.34Å; E421-E423 PolarHBondContact O-N 2.9Å; E421-K424 PolarHBondContact O-N 2.98Å; E421-K424 IonicContact OE1-NZ 3.61Å; E421-K424 PolarHBondContact OE1-NZ 3.06Å; E421-K424 IonicContact OE2-NZ 3.83Å
422L84.5Confident76.4Confident10 Ų1063.8 Ų63.85%0.05235%0.352CS..Hα-helixtrans-64.4-27172.9-75177.6000112.9L388 L397 F418 L419 A440 L443 K444L388-L422 HydrophobicContact CD2-CD2 4.37Å; L397-L422 HydrophobicContact CD1-CD2 3.73Å; L397-L422 HydrophobicContact CD1-CG 4.09Å; L397-L422 HydrophobicContact CD2-CD2 4.12Å; F418-L422 HydrophobicContact CD1-CD1 3.8Å; F418-L422 HydrophobicContact CD1-CG 4.42Å; F418-L422 HydrophobicContact CE1-CD1 3.38Å; F418-L422 HydrophobicContact CE1-CG 4.14Å; F418-L422 HydrophobicContact CE2-CD1 4.36Å; F418-L422 HydrophobicContact CE2-CD2 4.44Å; F418-L422 HydrophobicContact CE2-CG 4.26Å; F418-L422 HydrophobicContact CG-CD1 4.46Å; F418-L422 HydrophobicContact CZ-CD1 3.7Å; F418-L422 HydrophobicContact CZ-CD2 4.21Å; F418-L422 HydrophobicContact CZ-CG 4.05Å; F418-L422 WeakPolarHBondContact O-CG 3.26Å; F418-L422 PolarHBondContact O-N 2.87Å; L419-L422 PolarHBondContact O-N 3.4Å; L422-A440 HydrophobicContact CD2-CB 3.99Å; L422-L443 HydrophobicContact CD1-CD2 4.48Å; L422-K444 HydrophobicContact CD1-CB 4.21Å
423E82.7Confident75.6Confident133 Ų13364.7 Ų64.762%0.62136%0.363SS*.Hα-helixtrans-75.3-27.3176.5-176.3154.9-111.700113.6L419 A420 E421 V425 K444L419-E423 PolarHBondContact O-N 3Å; A420-E423 PolarHBondContact O-N 3.3Å; E421-E423 PolarHBondContact O-N 2.9Å; E423-V425 PolarHBondContact O-N 3.36Å; E423-K444 VanDerWaalsContact CD-NZ 3.33Å; E423-K444 IonicContact OE1-NZ 3.76Å; E423-K444 PolarHBondContact OE1-NZ 2.85Å
424K80.7Confident75.3Confident124 Ų12465.7 Ų65.754%0.53937%0.367SS..THydrogen-bonded Turntrans-76.6-10.6178.7-67.4171.3-169.31740113.5A420 E421 E426A420-K424 WeakPolarHBondContact O-CG 3.46Å; A420-K424 PolarHBondContact O-N 3.34Å; E421-K424 PolarHBondContact O-N 2.98Å; E421-K424 IonicContact OE1-NZ 3.61Å; E421-K424 PolarHBondContact OE1-NZ 3.06Å; E421-K424 IonicContact OE2-NZ 3.83Å; K424-E426 PolarHBondContact O-N 2.94Å
425V74.4Confident74.9Confident15 Ų1568 Ų689%0.09137%0.374CS..  trans-68.3121.7179-168.20000107.6L393 E423 F437L393-V425 HydrophobicContact CB-CG1 3.97Å; L393-V425 HydrophobicContact CB-CG2 4.15Å; L393-V425 HydrophobicContact CD2-CG1 3.56Å; L393-V425 HydrophobicContact CG-CG1 4.33Å; E423-V425 PolarHBondContact O-N 3.36Å; V425-F437 HydrophobicContact CB-CD2 4.22Å; V425-F437 HydrophobicContact CB-CE2 3.86Å; V425-F437 HydrophobicContact CG1-CD2 3.37Å; V425-F437 HydrophobicContact CG1-CE2 3.48Å; V425-F437 VanDerWaalsContact CG1-CE2 3.48Å; V425-F437 VanDerWaalsContact O-CE2 3.27Å; V425-F437 WeakPolarHBondContact O-CE2 3.48Å
426E61.7Low74.6Confident149 Ų14970.7 Ų70.770%0.69639%0.385SS*.  trans-96.3141.3178.1-68.4-176.1173.900111.6K424 T428K424-E426 PolarHBondContact O-N 2.94Å; E426-T428 PolarHBondContact O-N 3.3Å
427S59Low74.3Confident83 Ų8368.3 Ų68.358%0.5837%0.371SS*.SBendtrans-80.155.7-178.1175.90000112.4
428T53.3Low74Confident120 Ų12068.5 Ų68.574%0.73637%0.367SS*.  trans-105.34.1-17848.50000114.2E426E426-T428 PolarHBondContact O-N 3.3Å
429A57.9Low73.9Confident42 Ų4269.9 Ų69.935%0.34737%0.373SS..  trans-95.9131.9-176.200000112.8A433 Q434A429-A433 HydrophobicContact CB-CB 3.58Å; A429-Q434 WeakPolarHBondContact O-CB 3.46Å
430E57.9Low73.8Confident186 Ų18669.5 Ų69.587%0.86937%0.372SS*.  trans-93.1147.5172.6-67.7-176.3164.900111.2
431G70.6Confident73.8Confident40 Ų4070.5 Ų70.541%0.41237%0.371SS..THydrogen-bonded Turntrans80.4-141.2172.800000114.9A433 Q434G431-A433 PolarHBondContact O-N 3.24Å; G431-A433 VanDerWaalsContact O-N 3.14Å; G431-Q434 VanDerWaalsContact O-CB 3.28Å; G431-Q434 WeakPolarHBondContact O-CB 3.45Å; G431-Q434 PolarHBondContact O-N 3.15Å
432E66.4Low73.9Confident118 Ų11869.9 Ų69.955%0.55137%0.368SS*.Hα-helixtrans-57.5-29.5-177.7-66.2-173.1159.400113.3Q434 R435 Y436E432-Q434 VanDerWaalsContact C-N 3.28Å; E432-Q434 PolarHBondContact O-N 3.42Å; E432-R435 WeakPolarHBondContact O-CB 3.42Å; E432-R435 PolarHBondContact O-N 2.69Å; E432-R435 VanDerWaalsContact O-N 3.1Å; E432-Y436 PolarHBondContact O-N 3.36Å
433A68.4Low74.2Confident42 Ų4269.4 Ų69.435%0.34737%0.365SS..Hα-helixtrans-67.1-28.9177.900000113.2A429 G431 R435 Y436 F437A429-A433 HydrophobicContact CB-CB 3.58Å; G431-A433 PolarHBondContact O-N 3.24Å; G431-A433 VanDerWaalsContact O-N 3.14Å; A433-R435 VanDerWaalsContact C-N 3.26Å; A433-R435 PolarHBondContact O-N 3.11Å; A433-Y436 PolarHBondContact O-N 2.85Å; A433-F437 PolarHBondContact O-N 3.37Å
434Q75.1Confident74.4Confident90 Ų9064.4 Ų64.442%0.42134%0.342SS..Hα-helixtrans-64.7-33.3172.2-167.1176.7-2.900111.4A429 G431 E432 F437 D438A429-Q434 WeakPolarHBondContact O-CB 3.46Å; G431-Q434 VanDerWaalsContact O-CB 3.28Å; G431-Q434 WeakPolarHBondContact O-CB 3.45Å; G431-Q434 PolarHBondContact O-N 3.15Å; E432-Q434 VanDerWaalsContact C-N 3.28Å; E432-Q434 PolarHBondContact O-N 3.42Å; Q434-F437 VanDerWaalsContact O-CB 3.28Å; Q434-F437 WeakPolarHBondContact O-CB 3.42Å; Q434-F437 PolarHBondContact O-N 3.01Å; Q434-D438 PolarHBondContact O-N 3.47Å
435R77.1Confident74.7Confident66 Ų6661.5 Ų61.525%0.24933%0.332CS..Hα-helixtrans-64.7-45.7177.8-57.7-177.2-176.9171.93.3110.7E432 A433 F437 D438 H439E432-R435 WeakPolarHBondContact O-CB 3.42Å; E432-R435 PolarHBondContact O-N 2.69Å; E432-R435 VanDerWaalsContact O-N 3.1Å; A433-R435 VanDerWaalsContact C-N 3.26Å; A433-R435 PolarHBondContact O-N 3.11Å; R435-F437 PolarHBondContact O-N 3.31Å; R435-D438 PolarHBondContact O-N 3.35Å; R435-D438 VanDerWaalsContact O-N 3.13Å; R435-H439 VanDerWaalsContact C-CD2 3.42Å; R435-H439 PolarHBondContact O-CD2 2.92Å; R435-H439 PolarHBondContact O-N 2.92Å
436Y78.7Confident75.4Confident56 Ų5660.8 Ų60.822%0.2233%0.328CS..Hα-helixtrans-59.3-35.1176-54.8-47.1000112.2F387 E432 A433 A440F387-Y436 HydrophobicContact CB-CD1 4.06Å; F387-Y436 AromaticContact CD1-CD1 3.66Å; F387-Y436 HydrophobicContact CD1-CD1 3.66Å; F387-Y436 AromaticContact CD1-CE1 3.48Å; F387-Y436 HydrophobicContact CD1-CE1 3.48Å; F387-Y436 VanDerWaalsContact CD1-CE1 3.48Å; F387-Y436 HydrophobicContact CE1-CD1 4.45Å; F387-Y436 AromaticContact CE1-CE1 3.98Å; F387-Y436 HydrophobicContact CE1-CE1 3.98Å; F387-Y436 HydrophobicContact CG-CD1 4.1Å; F387-Y436 HydrophobicContact CG-CE1 4.37Å; E432-Y436 PolarHBondContact O-N 3.36Å; A433-Y436 PolarHBondContact O-N 2.85Å; Y436-A440 WeakPolarHBondContact O-CB 3.38Å; Y436-A440 PolarHBondContact O-N 3.37Å
437F78.8Confident76.7Confident29 Ų2953.8 Ų53.813%0.12730%0.295CS..Hα-helixtrans-64.1-50.1173.1-177.6-90.7000112.2V425 A433 Q434 R435 H439 A440 L441V425-F437 HydrophobicContact CB-CD2 4.22Å; V425-F437 HydrophobicContact CB-CE2 3.86Å; V425-F437 HydrophobicContact CG1-CD2 3.37Å; V425-F437 HydrophobicContact CG1-CE2 3.48Å; V425-F437 VanDerWaalsContact CG1-CE2 3.48Å; V425-F437 VanDerWaalsContact O-CE2 3.27Å; V425-F437 WeakPolarHBondContact O-CE2 3.48Å; A433-F437 PolarHBondContact O-N 3.37Å; Q434-F437 VanDerWaalsContact O-CB 3.28Å; Q434-F437 WeakPolarHBondContact O-CB 3.42Å; Q434-F437 PolarHBondContact O-N 3.01Å; R435-F437 PolarHBondContact O-N 3.31Å; F437-H439 VanDerWaalsContact C-N 3.28Å; F437-H439 PolarHBondContact O-N 2.85Å; F437-A440 WeakPolarHBondContact O-CB 3.23Å; F437-A440 PolarHBondContact O-N 2.91Å; F437-A440 VanDerWaalsContact O-N 3.11Å; F437-L441 HydrophobicContact CE1-CD2 4.35Å; F437-L441 PolarHBondContact O-N 2.88Å
438D82.2Confident77.9Confident64 Ų6452.6 Ų52.634%0.34228%0.282SS..Hα-helixtrans-61.9-37.6179.3-72.3-22.4000111.8Q434 R435 T442Q434-D438 PolarHBondContact O-N 3.47Å; R435-D438 PolarHBondContact O-N 3.35Å; R435-D438 VanDerWaalsContact O-N 3.13Å; D438-T442 VanDerWaalsContact O-CB 3.26Å; D438-T442 WeakPolarHBondContact O-CB 3.4Å; D438-T442 PolarHBondContact O-N 2.97Å; D438-T442 PolarHBondContact O-OG1 3.19Å
439H85.2Confident79.4Confident30 Ų3048.5 Ų48.514%0.13925%0.254CS..Hα-helixtrans-60.3-47.6171.8-70.9-64.8000111.9R435 F437 T442 L443 L725 F726R435-H439 VanDerWaalsContact C-CD2 3.42Å; R435-H439 PolarHBondContact O-CD2 2.92Å; R435-H439 PolarHBondContact O-N 2.92Å; F437-H439 VanDerWaalsContact C-N 3.28Å; F437-H439 PolarHBondContact O-N 2.85Å; H439-T442 PolarHBondContact O-N 3.15Å; H439-L443 WeakPolarHBondContact O-CB 3.27Å; H439-L443 PolarHBondContact O-N 3.29Å; H439-L725 PolarHBondContact ND1-O 3.03Å; H439-F726 WeakPolarHBondContact CE1-CA 3.49Å; H439-F726 VanDerWaalsContact CE1-CB 3.4Å; H439-F726 WeakPolarHBondContact CE1-CB 2.92Å; H439-F726 VanDerWaalsContact ND1-CA 3.33Å; H439-F726 WeakPolarHBondContact ND1-CA 3.35Å
440A84.8Confident80.6Confident5 Ų546.9 Ų46.94%0.04124%0.239CC..Hα-helixtrans-64-41.7179.900000112.1L422 Y436 F437 L443 K444L422-A440 HydrophobicContact CD2-CB 3.99Å; Y436-A440 WeakPolarHBondContact O-CB 3.38Å; Y436-A440 PolarHBondContact O-N 3.37Å; F437-A440 WeakPolarHBondContact O-CB 3.23Å; F437-A440 PolarHBondContact O-N 2.91Å; F437-A440 VanDerWaalsContact O-N 3.11Å; A440-L443 WeakPolarHBondContact O-CB 3.41Å; A440-L443 PolarHBondContact O-N 3.34Å; A440-K444 PolarHBondContact O-N 3.17Å
441L85.3Confident81.7Confident65 Ų6539 Ų3934%0.3420%0.201SC..Hα-helixtrans-68.1-39.1176.2-174.961.7000111.9F437 L443 K444 N445F437-L441 HydrophobicContact CE1-CD2 4.35Å; F437-L441 PolarHBondContact O-N 2.88Å; L441-L443 VanDerWaalsContact C-N 3.32Å; L441-K444 HydrophobicContact CD1-CD 4.36Å; L441-K444 WeakPolarHBondContact O-CB 3.46Å; L441-K444 PolarHBondContact O-N 3.13Å; L441-N445 PolarHBondContact O-N 2.98Å; L441-N445 PolarHBondContact O-ND2 2.94Å
442T88Confident82.1Confident0 Ų042.7 Ų42.70%020%0.204CC..Hα-helixtrans-64.6-38.5175.1-57.60000111.2D438 H439 N445 T446 L725 S728 N731D438-T442 VanDerWaalsContact O-CB 3.26Å; D438-T442 WeakPolarHBondContact O-CB 3.4Å; D438-T442 PolarHBondContact O-N 2.97Å; D438-T442 PolarHBondContact O-OG1 3.19Å; H439-T442 PolarHBondContact O-N 3.15Å; T442-N445 PolarHBondContact O-N 2.97Å; T442-T446 WeakPolarHBondContact O-CB 3.48Å; T442-T446 PolarHBondContact O-N 3.14Å; T442-T446 PolarHBondContact O-OG1 2.97Å; T442-L725 HydrophobicContact CG2-CD2 4.42Å; T442-S728 WeakPolarHBondContact OG1-CA 3.44Å; T442-S728 WeakPolarHBondContact OG1-CB 3.38Å; T442-S728 PolarHBondContact OG1-N 2.62Å; T442-N731 HydrophobicContact CG2-CB 3.46Å; T442-N731 VanDerWaalsContact CG2-CB 3.46Å
443L89.1Confident82.4Confident0 Ų038.4 Ų38.40%019%0.185CC..Hα-helixtrans-61.8-47.5172.8-179.967.8000111.3F378 L384 F418 L422 H439 A440 L441 N445 T446 I447 M473 L725F378-L443 HydrophobicContact CE1-CD1 4.06Å; L384-L443 HydrophobicContact CD1-CD2 4.21Å; L384-L443 HydrophobicContact CD2-CD1 4.17Å; L384-L443 HydrophobicContact CD2-CD2 4.3Å; F418-L443 HydrophobicContact CE1-CD2 3.94Å; F418-L443 HydrophobicContact CZ-CD2 3.89Å; L422-L443 HydrophobicContact CD1-CD2 4.48Å; H439-L443 WeakPolarHBondContact O-CB 3.27Å; H439-L443 PolarHBondContact O-N 3.29Å; A440-L443 WeakPolarHBondContact O-CB 3.41Å; A440-L443 PolarHBondContact O-N 3.34Å; L441-L443 VanDerWaalsContact C-N 3.32Å; L443-N445 VanDerWaalsContact C-N 3.34Å; L443-N445 PolarHBondContact O-N 3.02Å; L443-T446 WeakPolarHBondContact O-CB 3.37Å; L443-T446 PolarHBondContact O-N 3.37Å; L443-I447 HydrophobicContact CD1-CD1 4.15Å; L443-I447 HydrophobicContact CD1-CG1 4.43Å; L443-I447 HydrophobicContact CD2-CD1 4.45Å; L443-I447 HydrophobicContact CG-CD1 3.85Å; L443-I447 WeakPolarHBondContact O-CG1 3.15Å; L443-I447 PolarHBondContact O-N 2.83Å; L443-M473 HydrophobicContact CD1-CE 3.77Å; L443-M473 HydrophobicContact CD2-CE 4.21Å; L443-M473 HydrophobicContact CG-CE 4.47Å; L443-L725 HydrophobicContact CD1-CD1 4.16Å; L443-L725 HydrophobicContact CD1-CD2 4.37Å
444K88.1Confident82.2Confident29 Ų2942.9 Ų42.913%0.12620%0.196CC..Hα-helixtrans-53.1-51.4174.3179.8-176.1176.5178.40110.9L419 L422 E423 A440 L441 T446 I447 L448L419-K444 HydrophobicContact CD2-CB 4.49Å; L419-K444 HydrophobicContact CD2-CG 3.94Å; L422-K444 HydrophobicContact CD1-CB 4.21Å; E423-K444 VanDerWaalsContact CD-NZ 3.33Å; E423-K444 IonicContact OE1-NZ 3.76Å; E423-K444 PolarHBondContact OE1-NZ 2.85Å; A440-K444 PolarHBondContact O-N 3.17Å; L441-K444 HydrophobicContact CD1-CD 4.36Å; L441-K444 WeakPolarHBondContact O-CB 3.46Å; L441-K444 PolarHBondContact O-N 3.13Å; K444-T446 VanDerWaalsContact C-N 3.31Å; K444-T446 PolarHBondContact O-N 3.21Å; K444-I447 PolarHBondContact O-N 2.97Å; K444-L448 HydrophobicContact CG-CD1 4.11Å; K444-L448 VanDerWaalsContact O-CG 3.31Å; K444-L448 WeakPolarHBondContact O-CG 3.45Å; K444-L448 PolarHBondContact O-N 2.86Å
445N86.8Confident81.4Confident63 Ų6342.2 Ų42.234%0.33719%0.193SC..Hα-helixtrans-62.4-38.4-179.6-68.9-27.6000112.5L441 T442 L443 L448 F449L441-N445 PolarHBondContact O-N 2.98Å; L441-N445 PolarHBondContact O-ND2 2.94Å; T442-N445 PolarHBondContact O-N 2.97Å; L443-N445 VanDerWaalsContact C-N 3.34Å; L443-N445 PolarHBondContact O-N 3.02Å; N445-L448 PolarHBondContact O-N 3.12Å; N445-F449 WeakPolarHBondContact O-CB 3.21Å; N445-F449 PolarHBondContact O-N 3.02Å
446T88.7Confident80.7Confident0 Ų039.9 Ų39.90%019%0.186CC..Hα-helixtrans-64.1-45.1176-59.10000111.5F378 T442 L443 K444 F449 L450 M723 L725 N731F378-T446 HydrophobicContact CE2-CG2 4.07Å; F378-T446 HydrophobicContact CZ-CG2 4.32Å; T442-T446 WeakPolarHBondContact O-CB 3.48Å; T442-T446 PolarHBondContact O-N 3.14Å; T442-T446 PolarHBondContact O-OG1 2.97Å; L443-T446 WeakPolarHBondContact O-CB 3.37Å; L443-T446 PolarHBondContact O-N 3.37Å; K444-T446 VanDerWaalsContact C-N 3.31Å; K444-T446 PolarHBondContact O-N 3.21Å; T446-F449 PolarHBondContact O-N 2.9Å; T446-L450 HydrophobicContact CG2-CD1 4.1Å; T446-L450 WeakPolarHBondContact O-CG 3.49Å; T446-L450 PolarHBondContact O-N 3.23Å; T446-M723 HydrophobicContact CG2-CB 4.44Å; T446-M723 HydrophobicContact CG2-CE 3.78Å; T446-M723 HydrophobicContact CG2-CG 4.48Å; T446-L725 HydrophobicContact CG2-CD2 4.43Å; T446-N731 PolarHBondContact OG1-ND2 3.01Å; T446-N731 PolarHBondContact OG1-OD1 3.29Å
447I88.3Confident79.5Confident1 Ų138 Ų381%0.00518%0.18CC..Hα-helixtrans-62.3-47.3177.3-70.5162.9000110.6L415 F418 L419 L443 K444 F449 L450 R451 L471 M473L415-I447 HydrophobicContact CD1-CD1 4.13Å; L415-I447 HydrophobicContact CD1-CG2 4.17Å; L415-I447 HydrophobicContact CD2-CG2 3.68Å; L415-I447 HydrophobicContact CG-CG2 4.01Å; F418-I447 HydrophobicContact CD1-CD1 4.22Å; F418-I447 HydrophobicContact CE1-CD1 3.91Å; L419-I447 HydrophobicContact CD1-CG2 3.98Å; L419-I447 HydrophobicContact CD2-CB 4.13Å; L419-I447 HydrophobicContact CD2-CD1 4.3Å; L419-I447 HydrophobicContact CD2-CG2 3.8Å; L419-I447 HydrophobicContact CG-CG2 4.22Å; L443-I447 HydrophobicContact CD1-CD1 4.15Å; L443-I447 HydrophobicContact CD1-CG1 4.43Å; L443-I447 HydrophobicContact CD2-CD1 4.45Å; L443-I447 HydrophobicContact CG-CD1 3.85Å; L443-I447 WeakPolarHBondContact O-CG1 3.15Å; L443-I447 PolarHBondContact O-N 2.83Å; K444-I447 PolarHBondContact O-N 2.97Å; I447-F449 VanDerWaalsContact C-N 3.28Å; I447-F449 PolarHBondContact O-N 2.99Å; I447-L450 PolarHBondContact O-N 3.32Å; I447-R451 WeakPolarHBondContact O-CB 3.38Å; I447-R451 PolarHBondContact O-N 2.87Å; I447-L471 HydrophobicContact CB-CD2 4.22Å; I447-L471 HydrophobicContact CG1-CD2 4.12Å; I447-L471 HydrophobicContact CG2-CD2 3.91Å; I447-M473 HydrophobicContact CD1-SD 3.86Å; I447-M473 HydrophobicContact CG1-SD 4.42Å
448L85.4Confident78.2Confident59 Ų5942 Ų4231%0.30920%0.199SC..Hα-helixtrans-60.5-39.4177.8-68.9176.2000111.8L419 K444 N445 Y452L419-L448 HydrophobicContact CD1-CD2 4.17Å; K444-L448 HydrophobicContact CG-CD1 4.11Å; K444-L448 VanDerWaalsContact O-CG 3.31Å; K444-L448 WeakPolarHBondContact O-CG 3.45Å; K444-L448 PolarHBondContact O-N 2.86Å; N445-L448 PolarHBondContact O-N 3.12Å; L448-Y452 HydrophobicContact CB-CD2 4.44Å; L448-Y452 HydrophobicContact CD2-CD2 3.89Å; L448-Y452 HydrophobicContact CD2-CE2 3.56Å; L448-Y452 WeakPolarHBondContact O-CB 3.27Å; L448-Y452 WeakPolarHBondContact O-CD2 3.14Å; L448-Y452 PolarHBondContact O-N 3.23Å
449F84.7Confident76.7Confident34 Ų3443 Ų4315%0.14920%0.204CC..Hα-helixtrans-63.8-50.3175173.2-99.1000111.9N445 T446 I447 R451 N453 C735 I738 A739N445-F449 WeakPolarHBondContact O-CB 3.21Å; N445-F449 PolarHBondContact O-N 3.02Å; T446-F449 PolarHBondContact O-N 2.9Å; I447-F449 VanDerWaalsContact C-N 3.28Å; I447-F449 PolarHBondContact O-N 2.99Å; F449-R451 VanDerWaalsContact C-N 3.32Å; F449-R451 PolarHBondContact O-N 3.35Å; F449-N453 HydrophobicContact CD2-CB 4.28Å; F449-N453 HydrophobicContact CE2-CB 4.29Å; F449-N453 WeakPolarHBondContact CE2-ND2 3.25Å; F449-N453 VanDerWaalsContact CZ-ND2 3.27Å; F449-N453 WeakPolarHBondContact CZ-ND2 3.46Å; F449-N453 WeakPolarHBondContact O-CB 2.97Å; F449-N453 PolarHBondContact O-N 3.48Å; F449-C735 HydrophobicContact CD1-CB 4.13Å; F449-C735 HydrophobicContact CD2-CB 3.79Å; F449-C735 HydrophobicContact CE1-CB 4.16Å; F449-C735 HydrophobicContact CE2-CB 3.8Å; F449-C735 VanDerWaalsContact CE2-O 3.23Å; F449-C735 WeakPolarHBondContact CE2-O 3.49Å; F449-C735 HydrophobicContact CG-CB 3.95Å; F449-C735 HydrophobicContact CZ-CB 4Å; F449-C735 WeakPolarHBondContact CZ-O 3.46Å; F449-I738 HydrophobicContact CE1-CB 4.42Å; F449-I738 HydrophobicContact CE1-CD1 4.34Å; F449-I738 HydrophobicContact CE1-CG2 4.23Å; F449-I738 HydrophobicContact CZ-CB 4.09Å; F449-I738 HydrophobicContact CZ-CG2 4.07Å; F449-A739 HydrophobicContact CE2-CB 4.34Å
450L83.6Confident74.8Confident8 Ų844.1 Ų44.14%0.04221%0.21CC..Hα-helixtrans-65.7-35.6-178.5-69.5174.8000112.4F378 T446 I447 L456 L471 V499F378-L450 HydrophobicContact CB-CD1 4.36Å; F378-L450 HydrophobicContact CD2-CD1 3.74Å; F378-L450 HydrophobicContact CE2-CD1 4.45Å; F378-L450 HydrophobicContact CG-CD1 4.32Å; T446-L450 HydrophobicContact CG2-CD1 4.1Å; T446-L450 WeakPolarHBondContact O-CG 3.49Å; T446-L450 PolarHBondContact O-N 3.23Å; I447-L450 PolarHBondContact O-N 3.32Å; L450-L456 HydrophobicContact CD2-CD1 4.47Å; L450-L471 HydrophobicContact CB-CD1 4.07Å; L450-L471 HydrophobicContact CB-CD2 4.09Å; L450-L471 HydrophobicContact CD1-CD1 4.06Å; L450-L471 HydrophobicContact CD1-CD2 4.34Å; L450-V499 HydrophobicContact CD2-CG2 4.29Å
451R80.4Confident72.8Confident19 Ų1946.1 Ų46.17%0.07223%0.231CC..Hα-helixtrans-76.4-54.3179.3-157.3176-170.1-152.37.4111.2D412 D416 I447 F449 G468D412-R451 IonicContact OD1-CZ 3.64Å; D412-R451 IonicContact OD1-NE 3.37Å; D412-R451 PolarHBondContact OD1-NE 3.31Å; D412-R451 IonicContact OD1-NH2 2.62Å; D412-R451 IonicContact OD2-CZ 3.61Å; D412-R451 IonicContact OD2-NE 2.65Å; D412-R451 IonicContact OD2-NH2 3.7Å; D412-R451 PolarHBondContact OD2-NH2 3.49Å; D416-R451 VanDerWaalsContact CG-NH1 3.34Å; D416-R451 IonicContact OD1-CZ 3.7Å; D416-R451 IonicContact OD1-NH1 2.86Å; D416-R451 PolarHBondContact OD1-NH1 2.9Å; D416-R451 IonicContact OD1-NH2 3.24Å; D416-R451 IonicContact OD2-CZ 2.72Å; D416-R451 IonicContact OD2-NH1 3.4Å; D416-R451 PolarHBondContact OD2-NH1 3.46Å; D416-R451 IonicContact OD2-NH2 3.27Å; D416-R451 PolarHBondContact OD2-NH2 2.9Å; I447-R451 WeakPolarHBondContact O-CB 3.38Å; I447-R451 PolarHBondContact O-N 2.87Å; F449-R451 VanDerWaalsContact C-N 3.32Å; F449-R451 PolarHBondContact O-N 3.35Å; R451-G468 WeakPolarHBondContact O-CA 3.19Å
452Y78.3Confident70.8Confident119 Ų11949.4 Ų49.447%0.46726%0.256SS..Hα-helixtrans-97.91-166.4-59.8-67.4000115.8L448 K454L448-Y452 HydrophobicContact CB-CD2 4.44Å; L448-Y452 HydrophobicContact CD2-CD2 3.89Å; L448-Y452 HydrophobicContact CD2-CE2 3.56Å; L448-Y452 WeakPolarHBondContact O-CB 3.27Å; L448-Y452 WeakPolarHBondContact O-CD2 3.14Å; L448-Y452 PolarHBondContact O-N 3.23Å; Y452-K454 PolarHBondContact O-N 3.07Å
453N74.2Confident68.6Low27 Ų2756.7 Ų56.714%0.14430%0.295CS..  trans-74.1116.1-177.1-174.64.2000112.3F449 E455 L456F449-N453 HydrophobicContact CD2-CB 4.28Å; F449-N453 HydrophobicContact CE2-CB 4.29Å; F449-N453 WeakPolarHBondContact CE2-ND2 3.25Å; F449-N453 VanDerWaalsContact CZ-ND2 3.27Å; F449-N453 WeakPolarHBondContact CZ-ND2 3.46Å; F449-N453 WeakPolarHBondContact O-CB 2.97Å; F449-N453 PolarHBondContact O-N 3.48Å; N453-E455 VanDerWaalsContact C-N 3.27Å; N453-E455 PolarHBondContact O-N 3.15Å; N453-E455 PolarHBondContact OD1-N 3.44Å; N453-L456 HydrophobicContact CB-CD1 3.94Å; N453-L456 HydrophobicContact CB-CG 4.02Å; N453-L456 WeakPolarHBondContact O-CB 3.47Å; N453-L456 PolarHBondContact O-N 2.93Å; N453-L456 VanDerWaalsContact O-N 3.15Å
454K63.3Low66.7Low136 Ų13661.5 Ų61.559%0.59132%0.32SS*.G310 helixtrans-63.6-27.5-177.6-63.3-179.2-179.4178.10114Y452 L456 T457Y452-K454 PolarHBondContact O-N 3.07Å; K454-L456 VanDerWaalsContact C-N 3.27Å; K454-L456 PolarHBondContact O-N 2.92Å; K454-T457 VanDerWaalsContact C-OG1 3.3Å; K454-T457 VanDerWaalsContact CA-OG1 3.29Å; K454-T457 WeakPolarHBondContact CA-OG1 3.4Å; K454-T457 PolarHBondContact O-N 3.12Å; K454-T457 PolarHBondContact O-OG1 3.48Å
455E59.1Low64.6Low76 Ų7664.7 Ų64.736%0.35534%0.344SS..G310 helixtrans-73.1-22.6178.8-65.2-62.9128.200111.9N453 T457 Q458N453-E455 VanDerWaalsContact C-N 3.27Å; N453-E455 PolarHBondContact O-N 3.15Å; N453-E455 PolarHBondContact OD1-N 3.44Å; E455-T457 VanDerWaalsContact C-N 3.3Å; E455-Q458 PolarHBondContact OE1-NE2 2.98Å; E455-Q458 PolarHBondContact OE2-NE2 3.29Å
456L60.9Low62.8Low18 Ų1867.6 Ų67.69%0.09436%0.359CS..G310 helixtrans-76.3-20.6173.4-57.3179.2000111.8I376 L450 N453 K454 F469 C744I376-L456 HydrophobicContact CD1-CD1 4.48Å; L450-L456 HydrophobicContact CD2-CD1 4.47Å; N453-L456 HydrophobicContact CB-CD1 3.94Å; N453-L456 HydrophobicContact CB-CG 4.02Å; N453-L456 WeakPolarHBondContact O-CB 3.47Å; N453-L456 PolarHBondContact O-N 2.93Å; N453-L456 VanDerWaalsContact O-N 3.15Å; K454-L456 VanDerWaalsContact C-N 3.27Å; K454-L456 PolarHBondContact O-N 2.92Å; L456-F469 WeakPolarHBondContact O-CE2 3.37Å; L456-C744 HydrophobicContact CD2-CB 3.32Å; L456-C744 WeakPolarHBondContact CD2-SG 3.33Å
457T54.7Low61Low17 Ų1773.3 Ų73.310%0.10439%0.388CS..G310 helixtrans-102.46.5-171.447.50000115.6K454 E455 D459 Q460 F469K454-T457 VanDerWaalsContact C-OG1 3.3Å; K454-T457 VanDerWaalsContact CA-OG1 3.29Å; K454-T457 WeakPolarHBondContact CA-OG1 3.4Å; K454-T457 PolarHBondContact O-N 3.12Å; K454-T457 PolarHBondContact O-OG1 3.48Å; E455-T457 VanDerWaalsContact C-N 3.3Å; T457-D459 PolarHBondContact O-N 3.06Å; T457-Q460 PolarHBondContact O-N 2.76Å; T457-Q460 VanDerWaalsContact O-N 3.11Å; T457-F469 HydrophobicContact CG2-CD2 3.86Å; T457-F469 HydrophobicContact CG2-CE2 4.15Å
458Q51Low59.6Low112 Ų11273.9 Ų73.952%0.52340%0.395SS..THydrogen-bonded Turntrans-58.1-12.2-175.2-80.9177.85.300115.3E455E455-Q458 PolarHBondContact OE1-NE2 2.98Å; E455-Q458 PolarHBondContact OE2-NE2 3.29Å
459D51.3Low58.8Low84 Ų8472 Ų7245%0.44938%0.384SS..THydrogen-bonded Turntrans-82.4-5.5177.5-81.3-12.9000115T457 K496 N746T457-D459 PolarHBondContact O-N 3.06Å; D459-K496 IonicContact OD2-NZ 2.99Å; D459-K496 PolarHBondContact OD2-NZ 3.48Å; D459-N746 VanDerWaalsContact CG-ND2 3.33Å; D459-N746 PolarHBondContact OD1-ND2 2.92Å; D459-N746 VanDerWaalsContact OD1-ND2 3.1Å; D459-N746 PolarHBondContact OD2-ND2 3.33Å
460Q44.9Very low58.7Low55 Ų5571.6 Ų71.626%0.25738%0.384SS..SBendtrans-89.9120.3175.3-63.7-165.524.600110.3T457T457-Q460 PolarHBondContact O-N 2.76Å; T457-Q460 VanDerWaalsContact O-N 3.11Å
461G43.3Very low58.9Low47 Ų4771.2 Ų71.249%0.48538%0.382SS..  trans-54.7164.6172.600000112.5D463G461-D463 PolarHBondContact O-N 2.96Å
462P43.6Very low59.4Low134 Ų13470.3 Ų70.387%0.8738%0.379SS*.THydrogen-bonded Turntrans-64.42-163.524-33.8000117.1
463D41.3Very low60Low152 Ų15264.6 Ų64.681%0.81336%0.357SS*.THydrogen-bonded Turntrans-110.62.2-167.1-67.2-34.2000115.4G461G461-D463 PolarHBondContact O-N 2.96Å
464I48.5Very low60.8Low101 Ų10163.4 Ų63.452%0.51835%0.35SS..SBendtrans-106.2127.9176.4-53171.4000109.2N466I464-N466 PolarHBondContact O-N 3.33Å
465P45Very low62.1Low97 Ų9758.4 Ų58.463%0.6333%0.328SS*.  trans-56.3136.6177.621.6-31.1000110.5I467P465-I467 PolarHBondContact O-N 3.24Å
466N47.9Very low63.4Low124 Ų12454.8 Ų54.866%0.66331%0.311SS*.SBendtrans-65.958.4-166.1-145.1-5000113.5I464I464-N466 PolarHBondContact O-N 3.33Å
467I51.1Low64.6Low120 Ų12056 Ų5662%0.61532%0.316SS*.  trans-104.4126.2174.3-53.7170.7000104.7P465P465-I467 PolarHBondContact O-N 3.24Å
468G60Low66Low13 Ų1356.2 Ų56.213%0.13432%0.318CS..  trans-40.1175.3177.400000118.7R451R451-G468 WeakPolarHBondContact O-CA 3.19Å
469F68.3Low67.6Low20 Ų2051.2 Ų51.29%0.08830%0.295CS..  trans-65.8134.4161.5-78.7-72.9000109.7I376 L456 T457 K496I376-F469 HydrophobicContact CD1-CB 3.66Å; I376-F469 HydrophobicContact CD1-CD2 4.35Å; I376-F469 HydrophobicContact CD1-CG 4.3Å; I376-F469 HydrophobicContact CG1-CB 3.77Å; I376-F469 HydrophobicContact CG1-CG 4.35Å; L456-F469 WeakPolarHBondContact O-CE2 3.37Å; T457-F469 HydrophobicContact CG2-CD2 3.86Å; T457-F469 HydrophobicContact CG2-CE2 4.15Å; F469-K496 HydrophobicContact CE1-CD 4.32Å; F469-K496 HydrophobicContact CZ-CD 4.21Å
470P82.1Confident68.8Low24 Ų2451.4 Ų51.416%0.15630%0.296CS..  trans-59.2143.5171.9-16.927.7000110.1R375 I376 D412R375-P470 WeakPolarHBondContact CA-O 3.24Å; R375-P470 HydrophobicContact CB-CB 4.39Å; R375-P470 WeakPolarHBondContact CB-O 3.29Å; R375-P470 HydrophobicContact CG-CB 3.91Å; R375-P470 HydrophobicContact CG-CG 4.32Å; I376-P470 PolarHBondContact N-O 3.21Å; D412-P470 HydrophobicContact CB-CB 3.89Å; D412-P470 WeakPolarHBondContact OD1-CA 3.32Å
471L87.8Confident70.3Confident0 Ų051 Ų510%031%0.306CS..EExtended strand (participates in β ladder)trans-115.7124.9-177.7-176.171.8000110.5I376 F378 D412 L415 I447 L450I376-L471 HydrophobicContact CB-CD1 3.86Å; I376-L471 HydrophobicContact CG2-CD1 3.66Å; I376-L471 WeakPolarHBondContact O-CA 3.39Å; F378-L471 HydrophobicContact CB-CD1 4.14Å; D412-L471 VanDerWaalsContact CA-O 3.24Å; D412-L471 WeakPolarHBondContact CA-O 3.37Å; D412-L471 WeakPolarHBondContact CB-O 3.27Å; D412-L471 PolarHBondContact N-O 3.31Å; D412-L471 PolarHBondContact OD1-N 2.96Å; L415-L471 HydrophobicContact CD2-CB 4Å; L415-L471 HydrophobicContact CD2-CD2 4.12Å; L415-L471 HydrophobicContact CD2-CG 4.4Å; I447-L471 HydrophobicContact CB-CD2 4.22Å; I447-L471 HydrophobicContact CG1-CD2 4.12Å; I447-L471 HydrophobicContact CG2-CD2 3.91Å; L450-L471 HydrophobicContact CB-CD1 4.07Å; L450-L471 HydrophobicContact CB-CD2 4.09Å; L450-L471 HydrophobicContact CD1-CD1 4.06Å; L450-L471 HydrophobicContact CD1-CD2 4.34Å
472D90.3Very high72.1Confident0 Ų049.3 Ų49.30%029%0.286CS..EExtended strand (participates in β ladder)trans-106.6144.2164.9-66-11.7000109.6R375 I376 A377 F378 K409 L410 S411 D412 Y495R375-D472 WeakPolarHBondContact CD-OD1 3.36Å; R375-D472 IonicContact CZ-OD1 3.7Å; R375-D472 IonicContact NH1-OD1 3.43Å; R375-D472 PolarHBondContact NH1-OD1 3.34Å; R375-D472 IonicContact NH1-OD2 2.9Å; I376-D472 PolarHBondContact O-N 3.32Å; A377-D472 CarbonylContact C-O 3.56Å; A377-D472 WeakPolarHBondContact CA-O 3.42Å; F378-D472 PolarHBondContact N-O 2.89Å; K409-D472 WeakPolarHBondContact CE-OD2 3.29Å; K409-D472 IonicContact NZ-OD2 3.34Å; K409-D472 PolarHBondContact NZ-OD2 3.03Å; L410-D472 CarbonylContact O-C 3.43Å; L410-D472 WeakPolarHBondContact O-CA 3.47Å; S411-D472 WeakPolarHBondContact CA-OD1 3.42Å; D412-D472 PolarHBondContact N-OD1 3.41Å; D472-Y495 HydrophobicContact CB-CE1 3.75Å; D472-Y495 VanDerWaalsContact OD2-CE1 3.25Å; D472-Y495 WeakPolarHBondContact OD2-CE1 3.42Å; D472-Y495 PolarHBondContact OD2-OH 2.89Å
473M91.4Very high73.9Confident0 Ų047.6 Ų47.60%027%0.269CS..EExtended strand (participates in β ladder)trans-99.8130.8169.2-57.3-18065.500109.2F378 F380 L384 M404 K409 L410 L415 F418 L443 I447F378-M473 HydrophobicContact CB-CG 4.48Å; F378-M473 HydrophobicContact CD1-CE 3.97Å; F378-M473 HydrophobicContact CD1-CG 4.49Å; F378-M473 HydrophobicContact CE1-CE 4.35Å; F378-M473 CarbonylContact O-C 3.59Å; F378-M473 WeakPolarHBondContact O-CA 3.28Å; F380-M473 HydrophobicContact CD1-CB 3.94Å; F380-M473 HydrophobicContact CD1-CE 4.13Å; F380-M473 HydrophobicContact CE1-CB 3.7Å; F380-M473 HydrophobicContact CE1-CE 4.47Å; L384-M473 HydrophobicContact CD2-CE 3.98Å; M404-M473 HydrophobicContact CE-CE 3.52Å; M404-M473 HydrophobicContact CE-SD 4.29Å; K409-M473 CarbonylContact C-O 3.56Å; K409-M473 VanDerWaalsContact CA-O 3.27Å; K409-M473 WeakPolarHBondContact CA-O 3.49Å; L410-M473 HydrophobicContact CB-CB 4.21Å; L410-M473 HydrophobicContact CD2-SD 4.16Å; L410-M473 PolarHBondContact N-O 3.3Å; L410-M473 PolarHBondContact O-N 3.22Å; L415-M473 HydrophobicContact CD1-CG 4.48Å; L415-M473 HydrophobicContact CD1-SD 4.11Å; F418-M473 HydrophobicContact CE1-SD 4.22Å; L443-M473 HydrophobicContact CD1-CE 3.77Å; L443-M473 HydrophobicContact CD2-CE 4.21Å; L443-M473 HydrophobicContact CG-CE 4.47Å; I447-M473 HydrophobicContact CD1-SD 3.86Å; I447-M473 HydrophobicContact CG1-SD 4.42Å
474L91.2Very high75.7Confident2 Ų245.5 Ų45.51%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-125.4134-179-59.6175.3000111.7A377 F378 L379 F380 G408 K409 L479 L491 Y495A377-L474 HydrophobicContact CB-CD1 3.7Å; A377-L474 HydrophobicContact CB-CG 4.29Å; F378-L474 PolarHBondContact O-N 3.27Å; L379-L474 CarbonylContact C-O 3.54Å; L379-L474 WeakPolarHBondContact CA-O 3.25Å; L379-L474 HydrophobicContact CD2-CB 3.92Å; L379-L474 HydrophobicContact CD2-CD1 4.19Å; F380-L474 VanDerWaalsContact CD1-C 3.5Å; F380-L474 WeakPolarHBondContact CD1-O 3.42Å; F380-L474 PolarHBondContact N-O 3.37Å; G408-L474 WeakPolarHBondContact O-CA 3.41Å; K409-L474 HydrophobicContact CB-CD2 3.78Å; K409-L474 HydrophobicContact CD-CD2 3.85Å; K409-L474 HydrophobicContact CG-CD2 3.61Å; L474-L479 HydrophobicContact CB-CD1 4.28Å; L474-L479 HydrophobicContact CD1-CD1 4.4Å; L474-L491 HydrophobicContact CD1-CD2 3.98Å; L474-Y495 HydrophobicContact CD1-CD2 4.28Å; L474-Y495 HydrophobicContact CD1-CE2 3.6Å
475R90.4Very high77.3Confident30 Ų3043.4 Ų43.411%0.11325%0.253CS..EExtended strand (participates in β ladder)trans-81.6123.8173.5-175.2175.1171.8-157.9-0.8110F380 S382 F405 G408 E477 S478 L479F380-R475 HydrophobicContact CD2-CB 4.43Å; F380-R475 HydrophobicContact CE1-CB 4.38Å; F380-R475 HydrophobicContact CE2-CB 3.69Å; F380-R475 HydrophobicContact CE2-CG 4.03Å; F380-R475 HydrophobicContact CZ-CB 3.67Å; F380-R475 HydrophobicContact CZ-CG 4.49Å; F380-R475 WeakPolarHBondContact O-CA 3.47Å; S382-R475 PolarHBondContact OG-NE 2.9Å; S382-R475 PolarHBondContact OG-NH2 2.86Å; F405-R475 VanDerWaalsContact CD2-CZ 3.49Å; F405-R475 VanDerWaalsContact CE2-CZ 3.45Å; F405-R475 PolarHBondContact O-NH1 2.88Å; G408-R475 PolarHBondContact O-N 3.44Å; R475-E477 VanDerWaalsContact C-N 3.31Å; R475-E477 HydrophobicContact CG-CB 4.39Å; R475-E477 WeakPolarHBondContact CG-OE2 3.33Å; R475-E477 IonicContact NE-OE2 3.91Å; R475-E477 PolarHBondContact NE-OE2 3.49Å; R475-E477 PolarHBondContact O-N 3.49Å; R475-S478 PolarHBondContact O-N 3Å; R475-L479 PolarHBondContact O-N 2.96Å
476C86.9Confident79.1Confident1 Ų139.2 Ų39.21%0.00723%0.225CC..Hα-helixtrans-59.2-39.9-178.7-70.30000112.7F380 S478 L479 L480 I508F380-C476 PolarHBondContact O-N 3.14Å; C476-S478 PolarHBondContact O-N 3.13Å; C476-L479 WeakPolarHBondContact O-CB 3.22Å; C476-L479 PolarHBondContact O-N 2.95Å; C476-L480 PolarHBondContact O-N 3.27Å; C476-I508 HydrophobicContact CB-CG2 3.33Å
477E85.6Confident80.9Confident44 Ų4433.5 Ų33.521%0.20620%0.195CC..Hα-helixtrans-67.3-35.6-177.5-59.392.6140.500112.4S382 R475 L479 L480 I508S382-E477 VanDerWaalsContact CB-OE1 3.28Å; S382-E477 WeakPolarHBondContact CB-OE1 3.39Å; S382-E477 PolarHBondContact N-OE1 2.92Å; S382-E477 VanDerWaalsContact OG-CD 3.23Å; S382-E477 PolarHBondContact OG-OE1 3.44Å; R475-E477 VanDerWaalsContact C-N 3.31Å; R475-E477 HydrophobicContact CG-CB 4.39Å; R475-E477 WeakPolarHBondContact CG-OE2 3.33Å; R475-E477 IonicContact NE-OE2 3.91Å; R475-E477 PolarHBondContact NE-OE2 3.49Å; R475-E477 PolarHBondContact O-N 3.49Å; E477-L479 PolarHBondContact O-N 2.93Å; E477-L480 WeakPolarHBondContact O-CB 3.48Å; E477-L480 PolarHBondContact O-N 2.82Å; E477-L480 VanDerWaalsContact O-N 3.16Å; E477-I508 VanDerWaalsContact CD-CD1 3.47Å; E477-I508 HydrophobicContact CG-CD1 4.2Å; E477-I508 HydrophobicContact CG-CG1 4Å; E477-I508 WeakPolarHBondContact OE1-CD1 3.5Å
478S84.7Confident82.5Confident20 Ų2029.1 Ų29.114%0.1418%0.175CC..Hα-helixtrans-67.9-28.7176.6-55.50000111.7G408 R475 C476 G481G408-S478 VanDerWaalsContact CA-OG 3.28Å; G408-S478 WeakPolarHBondContact CA-OG 3.34Å; R475-S478 PolarHBondContact O-N 3Å; C476-S478 PolarHBondContact O-N 3.13Å; S478-G481 PolarHBondContact O-N 2.82Å
479L82.8Confident83.7Confident7 Ų731.8 Ų31.84%0.03718%0.181CC..Hα-helixtrans-73.6-26.8173.6-63.6169.5000112.6V260 L379 L474 R475 C476 E477 G481 L482 I511V260-L479 HydrophobicContact CG1-CD2 3.68Å; V260-L479 HydrophobicContact CG1-CG 4.47Å; L379-L479 HydrophobicContact CD2-CD1 4.25Å; L474-L479 HydrophobicContact CB-CD1 4.28Å; L474-L479 HydrophobicContact CD1-CD1 4.4Å; R475-L479 PolarHBondContact O-N 2.96Å; C476-L479 WeakPolarHBondContact O-CB 3.22Å; C476-L479 PolarHBondContact O-N 2.95Å; E477-L479 PolarHBondContact O-N 2.93Å; L479-G481 PolarHBondContact O-N 2.94Å; L479-L482 HydrophobicContact CD2-CD1 4.27Å; L479-L482 WeakPolarHBondContact O-CB 3.46Å; L479-L482 PolarHBondContact O-N 3.22Å; L479-L482 VanDerWaalsContact O-N 3.08Å; L479-I511 HydrophobicContact CD1-CD1 3.41Å; L479-I511 VanDerWaalsContact CD1-CD1 3.41Å; L479-I511 HydrophobicContact CD1-CG1 4.39Å
480L77.9Confident84.5Confident89 Ų8931.1 Ų31.147%0.46618%0.179SC..Hα-helixtrans-67.3-20.7172.1-60.8175.5000112.7C476 E477 L482 R509C476-L480 PolarHBondContact O-N 3.27Å; E477-L480 WeakPolarHBondContact O-CB 3.48Å; E477-L480 PolarHBondContact O-N 2.82Å; E477-L480 VanDerWaalsContact O-N 3.16Å; L480-L482 PolarHBondContact O-N 2.56Å; L480-R509 HydrophobicContact CD2-CB 4.05Å
481G74.9Confident84.7Confident47 Ų4730 Ų3049%0.48517%0.171SC..THydrogen-bonded Turntrans-68.5-15.9171.200000113.5K257 S478 L479K257-G481 WeakPolarHBondContact CE-O 3.42Å; S478-G481 PolarHBondContact O-N 2.82Å; L479-G481 PolarHBondContact O-N 2.94Å
482L81.5Confident84.6Confident11 Ų1132.3 Ų32.36%0.05818%0.184CC..SBendtrans-94.3145.7176.1-60.5174.1000110.7K257 V260 L275 L479 L480 T486 C487K257-L482 HydrophobicContact CB-CD2 3.74Å; K257-L482 HydrophobicContact CD-CD2 4.35Å; K257-L482 HydrophobicContact CG-CD2 3.85Å; V260-L482 HydrophobicContact CG1-CD1 4.16Å; L275-L482 HydrophobicContact CD2-CD2 4.36Å; L479-L482 HydrophobicContact CD2-CD1 4.27Å; L479-L482 WeakPolarHBondContact O-CB 3.46Å; L479-L482 PolarHBondContact O-N 3.22Å; L479-L482 VanDerWaalsContact O-N 3.08Å; L480-L482 PolarHBondContact O-N 2.56Å; L482-T486 HydrophobicContact CD2-CG2 4.42Å; L482-C487 HydrophobicContact CB-CB 4.13Å
483D81.5Confident84.3Confident97 Ų9735.5 Ų35.552%0.51920%0.198SC..  trans-63.3142.3171.7-51.9-63.7000109.4K257 A485 T486 C487K257-D483 IonicContact NZ-OD1 2.86Å; K257-D483 IonicContact NZ-OD2 2.89Å; K257-D483 PolarHBondContact NZ-OD2 3Å; D483-A485 VanDerWaalsContact C-N 3.26Å; D483-A485 PolarHBondContact O-N 3.4Å; D483-A485 VanDerWaalsContact O-N 3.12Å; D483-T486 WeakPolarHBondContact O-CA 3.5Å; D483-T486 WeakPolarHBondContact O-CB 3.49Å; D483-T486 PolarHBondContact O-N 3.3Å; D483-C487 PolarHBondContact O-N 2.93Å
484Q79.1Confident84Confident108 Ų10836.3 Ų36.351%0.50520%0.202SC..Hα-helixtrans-52.2-42.7-172.1-174.667.317.400113C487 S488Q484-C487 PolarHBondContact O-N 3.33Å; Q484-S488 PolarHBondContact O-N 3.34Å; Q484-S488 PolarHBondContact O-OG 3.23Å
485A82.6Confident83.8Confident58 Ų5836.4 Ų36.448%0.47920%0.202SC..Hα-helixtrans-63.6-43.5177.600000112D483 S488 R489D483-A485 VanDerWaalsContact C-N 3.26Å; D483-A485 PolarHBondContact O-N 3.4Å; D483-A485 VanDerWaalsContact O-N 3.12Å; A485-S488 PolarHBondContact O-N 3.22Å; A485-R489 WeakPolarHBondContact O-CG 3.23Å; A485-R489 PolarHBondContact O-N 3.38Å
486T83.2Confident83.5Confident8 Ų838 Ų385%0.04921%0.21CC..Hα-helixtrans-63.8-46.6176.5-56.80000111.1L275 L482 D483 S488 R489 V490L275-T486 HydrophobicContact CD2-CG2 3.58Å; L482-T486 HydrophobicContact CD2-CG2 4.42Å; D483-T486 WeakPolarHBondContact O-CA 3.5Å; D483-T486 WeakPolarHBondContact O-CB 3.49Å; D483-T486 PolarHBondContact O-N 3.3Å; T486-S488 PolarHBondContact O-N 2.81Å; T486-R489 PolarHBondContact O-N 3.05Å; T486-R489 VanDerWaalsContact O-N 3.12Å; T486-R489 PolarHBondContact OG1-NH2 2.93Å; T486-V490 HydrophobicContact CG2-CG2 4.42Å; T486-V490 WeakPolarHBondContact O-CG2 3.39Å; T486-V490 PolarHBondContact O-N 2.82Å
487C85.1Confident83.4Confident5 Ų538.6 Ų38.63%0.03421%0.213CC..Hα-helixtrans-56.4-49.6176.2-175.90000111L482 D483 Q484 R489 V490 L491L482-C487 HydrophobicContact CB-CB 4.13Å; D483-C487 PolarHBondContact O-N 2.93Å; Q484-C487 PolarHBondContact O-N 3.33Å; C487-R489 VanDerWaalsContact C-N 3.32Å; C487-R489 PolarHBondContact O-N 2.59Å; C487-V490 PolarHBondContact O-N 3.28Å; C487-L491 VanDerWaalsContact O-CG 3.29Å; C487-L491 WeakPolarHBondContact O-CG 3.28Å; C487-L491 PolarHBondContact O-N 3.4Å
488S84.3Confident83.6Confident28 Ų2836.5 Ų36.520%0.19620%0.203CC..Hα-helixtrans-59.3-39.3175.7-63.60000112.8Q484 A485 T486 N492Q484-S488 PolarHBondContact O-N 3.34Å; Q484-S488 PolarHBondContact O-OG 3.23Å; A485-S488 PolarHBondContact O-N 3.22Å; T486-S488 PolarHBondContact O-N 2.81Å; S488-N492 VanDerWaalsContact O-CB 3.27Å; S488-N492 WeakPolarHBondContact O-CB 3.5Å; S488-N492 PolarHBondContact O-N 3.02Å; S488-N492 PolarHBondContact O-ND2 3.06Å
489R85.7Confident83.8Confident69 Ų6935.7 Ų35.726%0.2620%0.197SC..Hα-helixtrans-66.1-45.9176.9-72.8-173.3-58.2-109.83.7112.5V274 E276 A485 T486 C487 L491 N492 K493V274-R489 HydrophobicContact CG1-CB 4.19Å; V274-R489 PolarHBondContact O-NE 2.89Å; V274-R489 PolarHBondContact O-NH2 2.87Å; V274-R489 VanDerWaalsContact O-NH2 3.12Å; E276-R489 IonicContact OE1-CZ 3.24Å; E276-R489 IonicContact OE1-NH1 3.7Å; E276-R489 PolarHBondContact OE1-NH1 3.31Å; E276-R489 IonicContact OE1-NH2 3.95Å; E276-R489 IonicContact OE2-CZ 3.72Å; E276-R489 VanDerWaalsContact OE2-CZ 3.28Å; E276-R489 IonicContact OE2-NH1 2.77Å; E276-R489 PolarHBondContact OE2-NH1 3.13Å; E276-R489 IonicContact OE2-NH2 2.7Å; E276-R489 PolarHBondContact OE2-NH2 3.47Å; A485-R489 WeakPolarHBondContact O-CG 3.23Å; A485-R489 PolarHBondContact O-N 3.38Å; T486-R489 PolarHBondContact O-N 3.05Å; T486-R489 VanDerWaalsContact O-N 3.12Å; T486-R489 PolarHBondContact OG1-NH2 2.93Å; C487-R489 VanDerWaalsContact C-N 3.32Å; C487-R489 PolarHBondContact O-N 2.59Å; R489-L491 VanDerWaalsContact C-N 3.33Å; R489-L491 PolarHBondContact O-N 2.9Å; R489-N492 PolarHBondContact O-N 3.4Å; R489-K493 WeakPolarHBondContact O-CB 3.32Å; R489-K493 PolarHBondContact O-N 3.38Å
490V85.4Confident84.1Confident5 Ų535.4 Ų35.43%0.0320%0.196CC..Hα-helixtrans-57.9-48.9177173.30000109.9V274 T486 C487 K493 N494V274-V490 HydrophobicContact CG1-CB 4.28Å; V274-V490 HydrophobicContact CG1-CG2 3.43Å; V274-V490 VanDerWaalsContact CG1-CG2 3.43Å; T486-V490 HydrophobicContact CG2-CG2 4.42Å; T486-V490 WeakPolarHBondContact O-CG2 3.39Å; T486-V490 PolarHBondContact O-N 2.82Å; C487-V490 PolarHBondContact O-N 3.28Å; V490-K493 PolarHBondContact O-N 2.91Å; V490-N494 PolarHBondContact O-N 3.11Å; V490-N494 VanDerWaalsContact O-N 3.14Å
491L86.6Confident84.7Confident0 Ų031.7 Ų31.70%018%0.176CC..Hα-helixtrans-66.8-43.9-177-64173.1000112.5L474 C487 R489 K493 N494 Y495 L498 I511 P516L474-L491 HydrophobicContact CD1-CD2 3.98Å; C487-L491 VanDerWaalsContact O-CG 3.29Å; C487-L491 WeakPolarHBondContact O-CG 3.28Å; C487-L491 PolarHBondContact O-N 3.4Å; R489-L491 VanDerWaalsContact C-N 3.33Å; R489-L491 PolarHBondContact O-N 2.9Å; L491-K493 VanDerWaalsContact C-N 3.28Å; L491-K493 PolarHBondContact O-N 3.44Å; L491-N494 PolarHBondContact O-N 3.2Å; L491-Y495 HydrophobicContact CD2-CD2 3.72Å; L491-Y495 HydrophobicContact CD2-CE2 3.99Å; L491-Y495 WeakPolarHBondContact O-CB 3.49Å; L491-Y495 PolarHBondContact O-N 3.44Å; L491-L498 HydrophobicContact CD1-CD1 4.31Å; L491-L498 HydrophobicContact CD2-CD2 4.33Å; L491-I511 HydrophobicContact CD1-CD1 3.78Å; L491-I511 HydrophobicContact CD1-CG2 3.75Å; L491-P516 HydrophobicContact CB-CG 4.1Å
492N85.6Confident85.3Confident49 Ų4929.5 Ų29.526%0.26215%0.154SC..Hα-helixtrans-66.2-30.3179.7-81.3-60.6000113.4K374 S488 R489 T515 P516K374-N492 PolarHBondContact NZ-O 3.33Å; S488-N492 VanDerWaalsContact O-CB 3.27Å; S488-N492 WeakPolarHBondContact O-CB 3.5Å; S488-N492 PolarHBondContact O-N 3.02Å; S488-N492 PolarHBondContact O-ND2 3.06Å; R489-N492 PolarHBondContact O-N 3.4Å; N492-T515 VanDerWaalsContact CG-O 3.28Å; N492-T515 PolarHBondContact ND2-O 3.5Å; N492-T515 PolarHBondContact ND2-OG1 3.39Å; N492-T515 WeakPolarHBondContact OD1-CB 3.27Å; N492-T515 PolarHBondContact OD1-O 2.95Å; N492-T515 PolarHBondContact OD1-OG1 3.37Å; N492-P516 WeakPolarHBondContact OD1-CD 3.04Å; N492-P516 VanDerWaalsContact OD1-N 3.17Å
493K84.8Confident85.3Confident68 Ų6832 Ų3230%0.29617%0.17SC..Hα-helixtrans-71.2-52.7176.9-172.4-173.8179.9-163.60110.8T266 E270 V274 R489 V490 L491T266-K493 VanDerWaalsContact CG2-NZ 3.26Å; T266-K493 PolarHBondContact OG1-NZ 3.34Å; E270-K493 IonicContact OE2-NZ 2.99Å; E270-K493 PolarHBondContact OE2-NZ 3.02Å; V274-K493 HydrophobicContact CG2-CD 3.71Å; R489-K493 WeakPolarHBondContact O-CB 3.32Å; R489-K493 PolarHBondContact O-N 3.38Å; V490-K493 PolarHBondContact O-N 2.91Å; L491-K493 VanDerWaalsContact C-N 3.28Å; L491-K493 PolarHBondContact O-N 3.44Å
494N84.1Confident85.4Confident17 Ų1728 Ų289%0.09115%0.149CC..Hα-helixtrans-90.7-28.5-165.5-62.5-12.8000113.4R375 V490 L491R375-N494 PolarHBondContact N-O 3.43Å; V490-N494 PolarHBondContact O-N 3.11Å; V490-N494 VanDerWaalsContact O-N 3.14Å; L491-N494 PolarHBondContact O-N 3.2Å
495Y87.4Confident85.4Confident4 Ų423.7 Ų23.72%0.01613%0.131CC..EExtended strand (participates in β ladder)trans-118.1142.5-169.2-54.5-67.5000113.3R375 A377 D472 L474 L491 L498 P516R375-Y495 HydrophobicContact CB-CD1 3.84Å; R375-Y495 HydrophobicContact CB-CE1 3.98Å; R375-Y495 CarbonylContact O-C 3.56Å; R375-Y495 VanDerWaalsContact O-CA 3.27Å; R375-Y495 WeakPolarHBondContact O-CA 3.1Å; A377-Y495 HydrophobicContact CB-CD1 3.43Å; A377-Y495 VanDerWaalsContact CB-CD1 3.43Å; A377-Y495 HydrophobicContact CB-CD2 4.01Å; A377-Y495 HydrophobicContact CB-CE1 3.72Å; A377-Y495 HydrophobicContact CB-CE2 4.26Å; A377-Y495 HydrophobicContact CB-CG 3.62Å; D472-Y495 HydrophobicContact CB-CE1 3.75Å; D472-Y495 VanDerWaalsContact OD2-CE1 3.25Å; D472-Y495 WeakPolarHBondContact OD2-CE1 3.42Å; D472-Y495 PolarHBondContact OD2-OH 2.89Å; L474-Y495 HydrophobicContact CD1-CD2 4.28Å; L474-Y495 HydrophobicContact CD1-CE2 3.6Å; L491-Y495 HydrophobicContact CD2-CD2 3.72Å; L491-Y495 HydrophobicContact CD2-CE2 3.99Å; L491-Y495 WeakPolarHBondContact O-CB 3.49Å; L491-Y495 PolarHBondContact O-N 3.44Å; Y495-L498 HydrophobicContact CG-CD2 4.4Å; Y495-P516 WeakPolarHBondContact O-CB 3.4Å
496K83.5Confident84.7Confident64 Ų6422.9 Ų22.928%0.27812%0.118SC..EExtended strand (participates in β ladder)trans-91.1-41.2171.6-173.6179.6177.4-1730111K374 R375 D459 F469 P516K374-K496 HydrophobicContact CB-CB 3.83Å; K374-K496 HydrophobicContact CD-CB 4.48Å; R375-K496 PolarHBondContact O-N 2.86Å; D459-K496 IonicContact OD2-NZ 2.99Å; D459-K496 PolarHBondContact OD2-NZ 3.48Å; F469-K496 HydrophobicContact CE1-CD 4.32Å; F469-K496 HydrophobicContact CZ-CD 4.21Å; K496-P516 WeakPolarHBondContact O-CB 3.27Å
497L85.8Confident83.8Confident12 Ų1228.8 Ų28.86%0.06315%0.146CC..EExtended strand (participates in β ladder)trans-138.9137.7-173.1-176.869.4000110.2I376 A377 V499 Q517 I519 L749I376-L497 WeakPolarHBondContact CA-O 3.38Å; I376-L497 HydrophobicContact CG1-CB 4.43Å; A377-L497 PolarHBondContact N-O 2.72Å; L497-V499 HydrophobicContact CD2-CG2 4.15Å; L497-V499 HydrophobicContact CG-CG2 4.24Å; L497-Q517 HydrophobicContact CD1-CB 4.2Å; L497-I519 HydrophobicContact CD1-CD1 3.99Å; L497-I519 HydrophobicContact CD1-CG1 4.08Å; L497-I519 HydrophobicContact CD2-CD1 4.12Å; L497-I519 HydrophobicContact CG-CD1 4.45Å; L497-L749 HydrophobicContact CD1-CD1 4.31Å; L497-L749 HydrophobicContact CD1-CD2 3.74Å
498L88.6Confident83.1Confident0 Ų028.9 Ų28.90%015%0.145CC..EExtended strand (participates in β ladder)trans-107.6135.5171.8-52.4178.7000109.2A377 L379 L491 Y495 P516 Q517 H518 I519A377-L498 HydrophobicContact CB-CD2 3.61Å; A377-L498 CarbonylContact O-C 3.54Å; A377-L498 WeakPolarHBondContact O-CA 3.2Å; L379-L498 HydrophobicContact CD1-CB 4.27Å; L491-L498 HydrophobicContact CD1-CD1 4.31Å; L491-L498 HydrophobicContact CD2-CD2 4.33Å; Y495-L498 HydrophobicContact CG-CD2 4.4Å; L498-P516 HydrophobicContact CD1-CG 3.97Å; L498-P516 HydrophobicContact CD2-CG 3.95Å; L498-P516 HydrophobicContact CG-CB 4.48Å; L498-P516 HydrophobicContact CG-CG 3.8Å; L498-Q517 PolarHBondContact N-O 2.93Å; L498-H518 HydrophobicContact CB-CB 4.13Å; L498-H518 HydrophobicContact CD1-CB 4.39Å; L498-H518 WeakPolarHBondContact O-CA 3.47Å; L498-I519 PolarHBondContact O-N 3.49Å
499V89.2Confident82.2Confident4 Ų432 Ų322%0.02415%0.153CC..EExtended strand (participates in β ladder)trans-129.1125.5174.9-177.90000108.3I376 A377 F378 L379 L450 L497 I519 M723I376-V499 HydrophobicContact CG2-CG2 4.29Å; A377-V499 PolarHBondContact O-N 2.81Å; F378-V499 CarbonylContact C-O 3.52Å; F378-V499 VanDerWaalsContact CA-O 3.31Å; F378-V499 WeakPolarHBondContact CA-O 3.49Å; F378-V499 HydrophobicContact CD2-CB 4.33Å; F378-V499 HydrophobicContact CD2-CG1 4.25Å; F378-V499 HydrophobicContact CE2-CG1 4.46Å; L379-V499 PolarHBondContact N-O 3.16Å; L450-V499 HydrophobicContact CD2-CG2 4.29Å; L497-V499 HydrophobicContact CD2-CG2 4.15Å; L497-V499 HydrophobicContact CG-CG2 4.24Å; V499-I519 WeakPolarHBondContact CA-O 3.49Å; V499-I519 HydrophobicContact CG2-CB 4.41Å; V499-I519 HydrophobicContact CG2-CD1 4.49Å; V499-M723 HydrophobicContact CG1-CG 3.59Å
500S90.3Very high81.2Confident1 Ų129 Ų291%0.00714%0.142CC..EExtended strand (participates in β ladder)trans-94.4148.4178-71.10000112.9H518 I519 G722 M723S500-H518 PolarHBondContact OG-NE2 2.81Å; S500-I519 PolarHBondContact N-O 3.5Å; S500-G722 CarbonylContact O-C 3.54Å; S500-G722 VanDerWaalsContact O-CA 3.3Å; S500-G722 WeakPolarHBondContact O-CA 3.39Å; S500-M723 PolarHBondContact O-N 3.2Å
501M90.1Very high80.2Confident10 Ų1029.3 Ų29.35%0.04914%0.144CC..EExtended strand (participates in β ladder)trans-65.2158.2160.571.5179.5-8800111.2F378 L379 F380 D381 L384 P503 L504 M723 L725F378-M501 HydrophobicContact CE1-CB 4.35Å; F378-M501 HydrophobicContact CZ-CB 3.81Å; L379-M501 PolarHBondContact O-N 2.94Å; F380-M501 WeakPolarHBondContact CA-SD 3.44Å; F380-M501 HydrophobicContact CB-CG 4.4Å; F380-M501 HydrophobicContact CB-SD 3.62Å; D381-M501 HydrophobicContact CB-SD 4.31Å; D381-M501 PolarHBondContact N-SD 3.12Å; D381-M501 VanDerWaalsContact OD1-CE 3.27Å; D381-M501 WeakPolarHBondContact OD1-CE 3.33Å; L384-M501 HydrophobicContact CB-SD 4.34Å; M501-P503 WeakPolarHBondContact CE-O 3.22Å; M501-L504 HydrophobicContact CG-CD2 3.51Å; M501-L504 HydrophobicContact CG-CG 4.28Å; M501-L504 WeakPolarHBondContact O-CG 3.34Å; M501-L504 HydrophobicContact SD-CD2 4.37Å; M501-M723 CarbonylContact C-O 3.14Å; M501-M723 WeakPolarHBondContact CA-O 3.4Å; M501-L725 HydrophobicContact CB-CD1 3.9Å; M501-L725 HydrophobicContact CB-CG 4.3Å; M501-L725 HydrophobicContact CE-CD1 4.4Å; M501-L725 HydrophobicContact SD-CD1 4.38Å
502A86.1Confident79Confident2 Ų232 Ų322%0.01716%0.163CC..EExtended strand (participates in β ladder)trans-137.1137.9175.200000110.6Y652 C720 M723 P724A502-Y652 HydrophobicContact CB-CE1 3.89Å; A502-C720 HydrophobicContact CB-CB 4.33Å; A502-M723 PolarHBondContact N-O 3.39Å; A502-P724 VanDerWaalsContact O-CA 3.3Å; A502-P724 WeakPolarHBondContact O-CA 3.45Å
503P83.1Confident77.8Confident62 Ų6230.7 Ų30.740%0.40316%0.157SC..SBendcis-68.9155-12.332-32.4000111.2M501 Y652M501-P503 WeakPolarHBondContact CE-O 3.22Å; P503-Y652 WeakPolarHBondContact CD-OH 3.47Å
504L82.6Confident76.4Confident15 Ų1530.5 Ų30.58%0.07916%0.164CC..PPolyproline II helixtrans-92.6143.7164.3-76168.9000108.3D381 M501 P510 P521D381-L504 HydrophobicContact CB-CD2 4.26Å; M501-L504 HydrophobicContact CG-CD2 3.51Å; M501-L504 HydrophobicContact CG-CG 4.28Å; M501-L504 WeakPolarHBondContact O-CG 3.34Å; M501-L504 HydrophobicContact SD-CD2 4.37Å; L504-P510 HydrophobicContact CD1-CG 4.46Å; L504-P521 HydrophobicContact CD1-CG 3.83Å
505S78.8Confident75.4Confident17 Ų1733.1 Ų33.112%0.11918%0.181CC..PPolyproline II helixtrans-55.2139.5173-177.50000112.4D381 E507 I508D381-S505 PolarHBondContact OD2-N 2.91Å; S505-E507 PolarHBondContact O-N 3.26Å; S505-I508 WeakPolarHBondContact O-CB 3.32Å; S505-I508 PolarHBondContact O-N 3.4Å
506N69.4Low74.9Confident40 Ų4033.3 Ų33.321%0.21418%0.182CC..THydrogen-bonded Turntrans-64.9-16.8-179.5-67.5-31.5000113.7I508 S527 H574N506-I508 VanDerWaalsContact C-N 3.25Å; N506-S527 PolarHBondContact OD1-O 3.44Å; N506-H574 PolarHBondContact ND2-O 2.91Å
507E63.9Low74.7Confident133 Ų13331.6 Ų31.662%0.62118%0.175SC*.THydrogen-bonded Turntrans-75.5-18.4175.9-60.3-169172.200112.3S505 G573 H574S505-E507 PolarHBondContact O-N 3.26Å; E507-G573 WeakPolarHBondContact CG-O 3.43Å; E507-H574 IonicContact OE1-CE1 3.92Å; E507-H574 IonicContact OE1-ND1 3.12Å
508I68.9Low74.7Confident6 Ų631.8 Ų31.83%0.03118%0.176CC..SBendtrans-93.2132.5-172.1-60.5170.6000108.8D381 C476 E477 S505 N506 P510D381-I508 HydrophobicContact CB-CD1 3.04Å; C476-I508 HydrophobicContact CB-CG2 3.33Å; E477-I508 VanDerWaalsContact CD-CD1 3.47Å; E477-I508 HydrophobicContact CG-CD1 4.2Å; E477-I508 HydrophobicContact CG-CG1 4Å; E477-I508 WeakPolarHBondContact OE1-CD1 3.5Å; S505-I508 WeakPolarHBondContact O-CB 3.32Å; S505-I508 PolarHBondContact O-N 3.4Å; N506-I508 VanDerWaalsContact C-N 3.25Å; I508-P510 VanDerWaalsContact O-CD 3.27Å; I508-P510 WeakPolarHBondContact O-CD 3.45Å
509R67.1Low74.5Confident95 Ų9532.1 Ų32.136%0.35818%0.177SC..  trans-84.8113.6168-62.4-174-168.6-179.55.9107.9L480 P524 A792 G795L480-R509 HydrophobicContact CD2-CB 4.05Å; R509-P524 HydrophobicContact CB-CG 4.07Å; R509-P524 HydrophobicContact CG-CG 4.32Å; R509-A792 PolarHBondContact NH1-O 3.45Å; R509-A792 VanDerWaalsContact NH1-O 3.14Å; R509-G795 VanDerWaalsContact NH2-CA 3.26Å
510P63.3Low74.3Confident5 Ų532.3 Ų32.33%0.03218%0.18CC..  trans-56.1148.9168.2-19.332.3000109.9L504 I508 S512 P521L504-P510 HydrophobicContact CD1-CG 4.46Å; I508-P510 VanDerWaalsContact O-CD 3.27Å; I508-P510 WeakPolarHBondContact O-CD 3.45Å; P510-S512 PolarHBondContact O-N 3.18Å; P510-P521 HydrophobicContact CB-CB 4.4Å; P510-P521 HydrophobicContact CB-CG 3.91Å; P510-P521 WeakPolarHBondContact CB-O 3.23Å; P510-P521 HydrophobicContact CG-CB 4.1Å; P510-P521 HydrophobicContact CG-CG 3.72Å
511I66.1Low73.9Confident12 Ų1232.6 Ų32.66%0.06218%0.182CC..  trans-69.9103.9180-51.9171.7000108.1L379 L479 L491 S513L379-I511 HydrophobicContact CD1-CD1 3.68Å; L379-I511 HydrophobicContact CD1-CG1 4.3Å; L379-I511 HydrophobicContact CD2-CD1 3.93Å; L379-I511 HydrophobicContact CG-CD1 4.48Å; L479-I511 HydrophobicContact CD1-CD1 3.41Å; L479-I511 VanDerWaalsContact CD1-CD1 3.41Å; L479-I511 HydrophobicContact CD1-CG1 4.39Å; L491-I511 HydrophobicContact CD1-CD1 3.78Å; L491-I511 HydrophobicContact CD1-CG2 3.75Å; I511-S513 PolarHBondContact O-N 3.32Å
512S61.2Low73.3Confident56 Ų5633.2 Ų33.239%0.39219%0.189SC..  trans-74.377.2170-61.50000109.8P510 A522P510-S512 PolarHBondContact O-N 3.18Å; S512-A522 PolarHBondContact OG-O 3.36Å
513S58.8Low73.1Confident21 Ų2134 Ų3415%0.14719%0.193CC..  trans-115.8133171.9-155.80000111.2I511 T515I511-S513 PolarHBondContact O-N 3.32Å; S513-T515 VanDerWaalsContact C-N 3.27Å; S513-T515 PolarHBondContact OG-N 3.38Å; S513-T515 PolarHBondContact OG-O 2.92Å
514C57.1Low72.8Confident64 Ų6432 Ų3243%0.43218%0.179SC..SBendtrans-75.9-20.7169.4-710000112L753 R757C514-L753 VanDerWaalsContact O-CD1 3.28Å; C514-L753 WeakPolarHBondContact O-CD1 3.3Å; C514-R757 PolarHBondContact SG-NH2 2.96Å; C514-R757 VanDerWaalsContact SG-NH2 3.42Å
515T63.1Low72.9Confident73 Ų7332.5 Ų32.545%0.44818%0.182SC..SBendtrans-149.4133.7180590000109.8N492 S513N492-T515 VanDerWaalsContact CG-O 3.28Å; N492-T515 PolarHBondContact ND2-O 3.5Å; N492-T515 PolarHBondContact ND2-OG1 3.39Å; N492-T515 WeakPolarHBondContact OD1-CB 3.27Å; N492-T515 PolarHBondContact OD1-O 2.95Å; N492-T515 PolarHBondContact OD1-OG1 3.37Å; S513-T515 VanDerWaalsContact C-N 3.27Å; S513-T515 PolarHBondContact OG-N 3.38Å; S513-T515 PolarHBondContact OG-O 2.92Å
516P75.6Confident73.1Confident8 Ų832 Ų325%0.05218%0.178CC..SBendcis-63.8163.6-3.924-29.4000112.6L491 N492 Y495 K496 L498L491-P516 HydrophobicContact CB-CG 4.1Å; N492-P516 WeakPolarHBondContact OD1-CD 3.04Å; N492-P516 VanDerWaalsContact OD1-N 3.17Å; Y495-P516 WeakPolarHBondContact O-CB 3.4Å; K496-P516 WeakPolarHBondContact O-CB 3.27Å; L498-P516 HydrophobicContact CD1-CG 3.97Å; L498-P516 HydrophobicContact CD2-CG 3.95Å; L498-P516 HydrophobicContact CG-CB 4.48Å; L498-P516 HydrophobicContact CG-CG 3.8Å
517Q80.3Confident73.6Confident27 Ų2731.4 Ų31.413%0.12618%0.176CC..EExtended strand (participates in β ladder)trans-63.1141.3-178.2-73.3160.7-25.900110L497 L498 L749L497-Q517 HydrophobicContact CD1-CB 4.2Å; L498-Q517 PolarHBondContact N-O 2.93Å; Q517-L749 HydrophobicContact CB-CD2 4.45Å; Q517-L749 HydrophobicContact CG-CB 4.34Å; Q517-L749 PolarHBondContact NE2-O 2.79Å; Q517-L749 VanDerWaalsContact OE1-CD1 3.22Å
518H85.7Confident74.5Confident16 Ų1625.7 Ų25.77%0.07415%0.151CC..EExtended strand (participates in β ladder)trans-127121.4-170.9178.6-146.7000111.5L498 S500 P521L498-H518 HydrophobicContact CB-CB 4.13Å; L498-H518 HydrophobicContact CD1-CB 4.39Å; L498-H518 WeakPolarHBondContact O-CA 3.47Å; S500-H518 PolarHBondContact OG-NE2 2.81Å; H518-P521 PolarHBondContact CE1-O 2.99Å; H518-P521 VanDerWaalsContact CE1-O 3.3Å
519I84.6Confident75.3Confident7 Ų725.8 Ų25.84%0.03615%0.152CC..EExtended strand (participates in β ladder)trans-97.396.2172-60.1177.5000107.4L497 L498 V499 S500 C650 L749 L752L497-I519 HydrophobicContact CD1-CD1 3.99Å; L497-I519 HydrophobicContact CD1-CG1 4.08Å; L497-I519 HydrophobicContact CD2-CD1 4.12Å; L497-I519 HydrophobicContact CG-CD1 4.45Å; L498-I519 PolarHBondContact O-N 3.49Å; V499-I519 WeakPolarHBondContact CA-O 3.49Å; V499-I519 HydrophobicContact CG2-CB 4.41Å; V499-I519 HydrophobicContact CG2-CD1 4.49Å; S500-I519 PolarHBondContact N-O 3.5Å; I519-C650 WeakPolarHBondContact CG2-SG 3.11Å; I519-L749 HydrophobicContact CD1-CD2 4.27Å; I519-L749 HydrophobicContact CG1-CD2 4.42Å; I519-L752 HydrophobicContact CG1-CD2 3.88Å
520G84.9Confident76.3Confident8 Ų821.2 Ų21.28%0.08214%0.135CC..SBendtrans162.9-168.5-174.300000111.1A522G520-A522 PolarHBondContact O-N 3.49Å
521P82.2Confident77.5Confident7 Ų721.3 Ų21.35%0.04513%0.134CC..  trans-67.9120177.925-29.9000110.9L504 P510 H518 I523 V526L504-P521 HydrophobicContact CD1-CG 3.83Å; P510-P521 HydrophobicContact CB-CB 4.4Å; P510-P521 HydrophobicContact CB-CG 3.91Å; P510-P521 WeakPolarHBondContact CB-O 3.23Å; P510-P521 HydrophobicContact CG-CB 4.1Å; P510-P521 HydrophobicContact CG-CG 3.72Å; H518-P521 PolarHBondContact CE1-O 2.99Å; H518-P521 VanDerWaalsContact CE1-O 3.3Å; P521-I523 PolarHBondContact O-N 3.29Å; P521-V526 HydrophobicContact CB-CB 4.36Å; P521-V526 HydrophobicContact CB-CG1 4.1Å
522A77.2Confident78.6Confident24 Ų2421.2 Ų21.220%0.19813%0.134CC..SBendtrans-70.3-30.8-174.900000114.1S512 G520S512-A522 PolarHBondContact OG-O 3.36Å; G520-A522 PolarHBondContact O-N 3.49Å
523I80.4Confident79.8Confident18 Ų1818.6 Ų18.69%0.09212%0.115CC..SBendtrans-137.9153.3178.560.1172.5000110.4P521 E525 V526 S760 V763 L764P521-I523 PolarHBondContact O-N 3.29Å; I523-E525 WeakPolarHBondContact CB-OE2 3.45Å; I523-E525 HydrophobicContact CD1-CB 3.88Å; I523-E525 HydrophobicContact CD1-CG 4.45Å; I523-E525 HydrophobicContact CG1-CB 4.21Å; I523-E525 PolarHBondContact O-N 3.41Å; I523-V526 HydrophobicContact CD1-CG2 4.21Å; I523-V526 HydrophobicContact CG1-CB 4.27Å; I523-V526 HydrophobicContact CG1-CG2 3.55Å; I523-V526 WeakPolarHBondContact O-CB 3.44Å; I523-V526 PolarHBondContact O-N 3.41Å; I523-S760 WeakPolarHBondContact CG2-OG 3.43Å; I523-V763 HydrophobicContact CD1-CB 4.3Å; I523-V763 HydrophobicContact CD1-CG1 4.29Å; I523-L764 HydrophobicContact CD1-CD2 4.32Å; I523-L764 HydrophobicContact CD1-CG 4.03Å
524P77.9Confident81.2Confident19 Ų1918.2 Ų18.212%0.12311%0.111CC..G310 helixtrans-58.6-28.3177.6-21.431.5000114.3R509 V526 S527 S528 V796R509-P524 HydrophobicContact CB-CG 4.07Å; R509-P524 HydrophobicContact CG-CG 4.32Å; P524-V526 PolarHBondContact O-N 2.9Å; P524-S527 PolarHBondContact O-N 3.32Å; P524-S527 PolarHBondContact O-OG 3.47Å; P524-S528 PolarHBondContact O-N 3.46Å; P524-V796 HydrophobicContact CB-CG2 3.88Å
525E83.6Confident82.6Confident27 Ų2715.2 Ų15.213%0.1269%0.09CC..G310 helixtrans-64.3-28.3177.7-66.773-169.400111.9I523 S528 F531 V763 L764 V796I523-E525 WeakPolarHBondContact CB-OE2 3.45Å; I523-E525 HydrophobicContact CD1-CB 3.88Å; I523-E525 HydrophobicContact CD1-CG 4.45Å; I523-E525 HydrophobicContact CG1-CB 4.21Å; I523-E525 PolarHBondContact O-N 3.41Å; E525-S528 WeakPolarHBondContact CA-OG 3.45Å; E525-S528 WeakPolarHBondContact O-CB 3.47Å; E525-S528 PolarHBondContact O-N 3.45Å; E525-S528 VanDerWaalsContact O-N 3.13Å; E525-S528 PolarHBondContact O-OG 3.23Å; E525-F531 WeakPolarHBondContact O-CB 3.36Å; E525-V763 HydrophobicContact CB-CG1 3.84Å; E525-L764 HydrophobicContact CG-CD2 4.12Å; E525-V796 HydrophobicContact CG-CG1 4.37Å
526V83.4Confident83.8Confident6 Ų611.7 Ų11.74%0.0367%0.069CC..G310 helixtrans-71-30.8179.3170.20000111.9P521 I523 P524 S528 F531 F721P521-V526 HydrophobicContact CB-CB 4.36Å; P521-V526 HydrophobicContact CB-CG1 4.1Å; I523-V526 HydrophobicContact CD1-CG2 4.21Å; I523-V526 HydrophobicContact CG1-CB 4.27Å; I523-V526 HydrophobicContact CG1-CG2 3.55Å; I523-V526 WeakPolarHBondContact O-CB 3.44Å; I523-V526 PolarHBondContact O-N 3.41Å; P524-V526 PolarHBondContact O-N 2.9Å; V526-S528 VanDerWaalsContact C-N 3.27Å; V526-F531 HydrophobicContact CB-CD2 4.42Å; V526-F531 HydrophobicContact CG1-CD1 4.16Å; V526-F531 HydrophobicContact CG1-CD2 4.34Å; V526-F531 HydrophobicContact CG1-CE1 4.01Å; V526-F531 HydrophobicContact CG1-CE2 4.22Å; V526-F531 HydrophobicContact CG1-CG 4.32Å; V526-F531 HydrophobicContact CG1-CZ 4.05Å; V526-F531 HydrophobicContact CG2-CD2 4.23Å; V526-F531 HydrophobicContact CG2-CE2 4.25Å; V526-F531 WeakPolarHBondContact O-CB 3.4Å; V526-F531 WeakPolarHBondContact O-CD1 3.35Å; V526-F531 WeakPolarHBondContact O-CG 3.49Å; V526-F721 HydrophobicContact CG1-CD2 3.52Å; V526-F721 HydrophobicContact CG1-CE2 3.43Å; V526-F721 VanDerWaalsContact CG1-CE2 3.43Å
527S79.6Confident84.3Confident27 Ų2716.2 Ų16.219%0.1899%0.089CC..G310 helixtrans-86.95.6171.652.80000112.8N506 P524N506-S527 PolarHBondContact OD1-O 3.44Å; P524-S527 PolarHBondContact O-N 3.32Å; P524-S527 PolarHBondContact O-OG 3.47Å
528S83.9Confident84.6Confident14 Ų1416 Ų1610%0.0989%0.09CC..SBendtrans-102.3170.9-173.183.20000114.3P524 E525 V526 W530 F531P524-S528 PolarHBondContact O-N 3.46Å; E525-S528 WeakPolarHBondContact CA-OG 3.45Å; E525-S528 WeakPolarHBondContact O-CB 3.47Å; E525-S528 PolarHBondContact O-N 3.45Å; E525-S528 VanDerWaalsContact O-N 3.13Å; E525-S528 PolarHBondContact O-OG 3.23Å; V526-S528 VanDerWaalsContact C-N 3.27Å; S528-W530 PolarHBondContact O-N 3.26Å; S528-W530 VanDerWaalsContact O-N 3.16Å; S528-W530 WeakPolarHBondContact OG-CB 3.34Å; S528-W530 PolarHBondContact OG-N 3.4Å; S528-F531 WeakPolarHBondContact O-CB 3.19Å; S528-F531 PolarHBondContact O-N 3.39Å
529I86.2Confident84.5Confident7 Ų715.3 Ų15.34%0.0369%0.087CC..Hα-helixtrans-53.1-32.7171.7-67.6168.8000112.1F531 K532 L533 L547 T570 W572 L598I529-F531 VanDerWaalsContact C-N 3.27Å; I529-F531 PolarHBondContact O-N 3.26Å; I529-K532 PolarHBondContact O-N 3.35Å; I529-L533 PolarHBondContact O-N 3.42Å; I529-L547 HydrophobicContact CG2-CD1 3.86Å; I529-T570 HydrophobicContact CD1-CG2 4.03Å; I529-T570 HydrophobicContact CG1-CG2 4.03Å; I529-W572 HydrophobicContact CB-CE3 4.43Å; I529-W572 HydrophobicContact CB-CH2 4.48Å; I529-W572 HydrophobicContact CB-CZ3 3.98Å; I529-W572 HydrophobicContact CD1-CD2 4.32Å; I529-W572 HydrophobicContact CD1-CE3 3.65Å; I529-W572 HydrophobicContact CD1-CZ3 4.07Å; I529-W572 HydrophobicContact CG2-CZ3 4.11Å; I529-L598 HydrophobicContact CD1-CB 4.47Å; I529-L598 HydrophobicContact CG2-CB 3.89Å; I529-L598 HydrophobicContact CG2-CD2 3.89Å; I529-L598 HydrophobicContact CG2-CG 4.31Å
530W87.9Confident84.3Confident0 Ų016.3 Ų16.30%010%0.098CC..Hα-helixtrans-61.8-36176.8-75120.9000112.7S528 K532 L533 Y534 L547 W572 F766 V767 F770 P797 P799 L803S528-W530 PolarHBondContact O-N 3.26Å; S528-W530 VanDerWaalsContact O-N 3.16Å; S528-W530 WeakPolarHBondContact OG-CB 3.34Å; S528-W530 PolarHBondContact OG-N 3.4Å; W530-K532 VanDerWaalsContact C-N 3.34Å; W530-L533 HydrophobicContact CE3-CD1 4.36Å; W530-L533 HydrophobicContact CZ3-CD1 4.45Å; W530-L533 PolarHBondContact O-N 3.41Å; W530-Y534 WeakPolarHBondContact O-CB 3.36Å; W530-Y534 PolarHBondContact O-N 3.27Å; W530-L547 HydrophobicContact CH2-CD2 4.43Å; W530-L547 HydrophobicContact CZ3-CD2 4.44Å; W530-W572 AromaticContact CD1-CH2 3.61Å; W530-W572 AromaticContact CE2-CH2 3.93Å; W530-W572 HydrophobicContact CG-CH2 4.33Å; W530-W572 AromaticContact NE1-CH2 3.34Å; W530-W572 VanDerWaalsContact NE1-CH2 3.34Å; W530-W572 AromaticContact NE1-CZ2 3.79Å; W530-F766 HydrophobicContact CE3-CE1 4.19Å; W530-V767 HydrophobicContact CB-CG2 3.72Å; W530-V767 HydrophobicContact CD2-CG1 4.45Å; W530-V767 HydrophobicContact CD2-CG2 3.93Å; W530-V767 HydrophobicContact CE3-CG2 4.38Å; W530-V767 HydrophobicContact CG-CG2 3.64Å; W530-F770 HydrophobicContact CH2-CB 4.06Å; W530-F770 HydrophobicContact CZ3-CB 4.12Å; W530-P797 PolarHBondContact NE1-O 2.96Å; W530-P799 HydrophobicContact CH2-CB 3.97Å; W530-P799 HydrophobicContact CZ2-CB 3.83Å; W530-L803 HydrophobicContact CH2-CD1 4.11Å; W530-L803 HydrophobicContact CZ3-CD1 3.67Å
531F87.6Confident84.2Confident6 Ų618 Ų183%0.02610%0.104CC..Hα-helixtrans-68.8-35.5179.6-166.4-119.9000111.9E525 V526 S528 I529 L533 Y534 L535 L719 F721 L759 V763E525-F531 WeakPolarHBondContact O-CB 3.36Å; V526-F531 HydrophobicContact CB-CD2 4.42Å; V526-F531 HydrophobicContact CG1-CD1 4.16Å; V526-F531 HydrophobicContact CG1-CD2 4.34Å; V526-F531 HydrophobicContact CG1-CE1 4.01Å; V526-F531 HydrophobicContact CG1-CE2 4.22Å; V526-F531 HydrophobicContact CG1-CG 4.32Å; V526-F531 HydrophobicContact CG1-CZ 4.05Å; V526-F531 HydrophobicContact CG2-CD2 4.23Å; V526-F531 HydrophobicContact CG2-CE2 4.25Å; V526-F531 WeakPolarHBondContact O-CB 3.4Å; V526-F531 WeakPolarHBondContact O-CD1 3.35Å; V526-F531 WeakPolarHBondContact O-CG 3.49Å; S528-F531 WeakPolarHBondContact O-CB 3.19Å; S528-F531 PolarHBondContact O-N 3.39Å; I529-F531 VanDerWaalsContact C-N 3.27Å; I529-F531 PolarHBondContact O-N 3.26Å; F531-L533 VanDerWaalsContact C-N 3.34Å; F531-L533 PolarHBondContact O-N 3.1Å; F531-Y534 HydrophobicContact CD2-CD1 4.08Å; F531-Y534 AromaticContact CE2-CD1 3.99Å; F531-Y534 HydrophobicContact CE2-CD1 3.99Å; F531-Y534 HydrophobicContact CE2-CE1 4.42Å; F531-Y534 PolarHBondContact O-N 3.41Å; F531-L535 WeakPolarHBondContact O-CB 3.4Å; F531-L535 PolarHBondContact O-N 3.27Å; F531-L719 HydrophobicContact CE1-CB 3.99Å; F531-L719 HydrophobicContact CE1-CD2 3.84Å; F531-L719 HydrophobicContact CE1-CG 4.09Å; F531-L719 HydrophobicContact CZ-CD2 3.85Å; F531-F721 AromaticContact CE1-CE2 3.82Å; F531-F721 HydrophobicContact CE1-CE2 3.82Å; F531-F721 HydrophobicContact CE1-CZ 4.46Å; F531-F721 AromaticContact CZ-CE2 3.74Å; F531-F721 HydrophobicContact CZ-CE2 3.74Å; F531-F721 HydrophobicContact CZ-CZ 4.14Å; F531-L759 HydrophobicContact CE2-CD1 4.32Å; F531-V763 HydrophobicContact CD2-CG2 3.95Å; F531-V763 HydrophobicContact CE2-CG2 4.03Å
532K88.3Confident84.3Confident11 Ų1118.4 Ų18.45%0.04811%0.109CC..Hα-helixtrans-58.7-46.6172.2-61.1-171.2-178.7-1670111I529 W530 L535 Y536 L598 E718I529-K532 PolarHBondContact O-N 3.35Å; W530-K532 VanDerWaalsContact C-N 3.34Å; K532-L535 VanDerWaalsContact O-CB 3.31Å; K532-L535 WeakPolarHBondContact O-CB 3.47Å; K532-L535 PolarHBondContact O-N 3.42Å; K532-Y536 HydrophobicContact CB-CE2 4.37Å; K532-Y536 WeakPolarHBondContact O-CD1 3.31Å; K532-Y536 VanDerWaalsContact O-CD2 3.32Å; K532-Y536 WeakPolarHBondContact O-CD2 3.37Å; K532-Y536 PolarHBondContact O-N 3.39Å; K532-L598 HydrophobicContact CD-CD2 4.33Å; K532-E718 WeakPolarHBondContact CE-OE1 3.46Å; K532-E718 IonicContact NZ-OE1 2.97Å; K532-E718 PolarHBondContact NZ-OE1 3.04Å; K532-E718 IonicContact NZ-OE2 3.85Å
533L87Confident84.7Confident0 Ų017.3 Ų17.30%010%0.1CC..Hα-helixtrans-67.7-38.4177.5-66.4-177.8000113I529 W530 F531 L535 Y536 H537 L547 L598 F766 L803 L810I529-L533 PolarHBondContact O-N 3.42Å; W530-L533 HydrophobicContact CE3-CD1 4.36Å; W530-L533 HydrophobicContact CZ3-CD1 4.45Å; W530-L533 PolarHBondContact O-N 3.41Å; F531-L533 VanDerWaalsContact C-N 3.34Å; F531-L533 PolarHBondContact O-N 3.1Å; L533-L535 VanDerWaalsContact C-N 3.32Å; L533-Y536 HydrophobicContact CD2-CD2 4.3Å; L533-Y536 PolarHBondContact O-N 3.13Å; L533-H537 WeakPolarHBondContact O-CB 3.41Å; L533-H537 PolarHBondContact O-N 3.45Å; L533-L547 HydrophobicContact CD1-CB 4.12Å; L533-L547 HydrophobicContact CD1-CD2 3.61Å; L533-L547 HydrophobicContact CD1-CG 4.47Å; L533-L598 HydrophobicContact CD2-CD1 4.26Å; L533-F766 HydrophobicContact CB-CE1 4.33Å; L533-F766 HydrophobicContact CB-CZ 4.26Å; L533-L803 HydrophobicContact CD1-CD1 4.03Å; L533-L810 HydrophobicContact CD2-CD1 4.23Å
534Y87.9Confident85Confident13 Ų1318 Ų185%0.05111%0.105CC..Hα-helixtrans-61.5-42.3173.9175.7-101.7000111.2W530 F531 Y536 H537 V538 L759 K762 V763 F766W530-Y534 WeakPolarHBondContact O-CB 3.36Å; W530-Y534 PolarHBondContact O-N 3.27Å; F531-Y534 HydrophobicContact CD2-CD1 4.08Å; F531-Y534 AromaticContact CE2-CD1 3.99Å; F531-Y534 HydrophobicContact CE2-CD1 3.99Å; F531-Y534 HydrophobicContact CE2-CE1 4.42Å; F531-Y534 PolarHBondContact O-N 3.41Å; Y534-Y536 VanDerWaalsContact C-N 3.32Å; Y534-Y536 PolarHBondContact O-N 3.31Å; Y534-H537 PolarHBondContact O-N 3.01Å; Y534-V538 HydrophobicContact CD1-CG2 4.3Å; Y534-V538 HydrophobicContact CD2-CG2 4.17Å; Y534-V538 HydrophobicContact CE1-CG2 3.87Å; Y534-V538 HydrophobicContact CE2-CG2 3.74Å; Y534-V538 HydrophobicContact CG-CG2 4.44Å; Y534-V538 WeakPolarHBondContact O-CG2 3.42Å; Y534-V538 PolarHBondContact O-N 3.14Å; Y534-L759 HydrophobicContact CE1-CD1 4.19Å; Y534-K762 HydrophobicContact CE2-CB 4.44Å; Y534-K762 WeakPolarHBondContact OH-CD 3.41Å; Y534-V763 HydrophobicContact CD1-CG2 3.98Å; Y534-V763 HydrophobicContact CE1-CG2 4.02Å; Y534-V763 HydrophobicContact CG-CG2 4.3Å; Y534-F766 HydrophobicContact CD2-CB 3.83Å; Y534-F766 HydrophobicContact CD2-CD1 4.06Å; Y534-F766 AromaticContact CD2-CD2 3.92Å; Y534-F766 HydrophobicContact CD2-CD2 3.92Å; Y534-F766 HydrophobicContact CD2-CE2 4.47Å; Y534-F766 AromaticContact CD2-CG 3.68Å; Y534-F766 HydrophobicContact CD2-CG 3.68Å; Y534-F766 HydrophobicContact CE2-CB 4.3Å; Y534-F766 HydrophobicContact CG-CD1 4.47Å
535L87.1Confident85.6Confident1 Ų117 Ų171%0.00510%0.099CC..Hα-helixtrans-54.7-50.6175.2-161.678.7000110.5F531 K532 L533 H537 V538 T539 L640 P716 L719F531-L535 WeakPolarHBondContact O-CB 3.4Å; F531-L535 PolarHBondContact O-N 3.27Å; K532-L535 VanDerWaalsContact O-CB 3.31Å; K532-L535 WeakPolarHBondContact O-CB 3.47Å; K532-L535 PolarHBondContact O-N 3.42Å; L533-L535 VanDerWaalsContact C-N 3.32Å; L535-H537 VanDerWaalsContact C-N 3.35Å; L535-H537 PolarHBondContact O-N 3.37Å; L535-V538 PolarHBondContact O-N 3.24Å; L535-T539 WeakPolarHBondContact O-CG2 3.08Å; L535-T539 PolarHBondContact O-N 3.45Å; L535-T539 PolarHBondContact O-OG1 2.77Å; L535-L640 HydrophobicContact CD1-CD1 3.76Å; L535-L640 HydrophobicContact CD1-CD2 3.24Å; L535-L640 HydrophobicContact CD1-CG 4.13Å; L535-L640 HydrophobicContact CG-CD1 4.33Å; L535-L640 HydrophobicContact CG-CD2 4.05Å; L535-P716 HydrophobicContact CD2-CB 3.96Å; L535-L719 HydrophobicContact CD1-CB 4.06Å; L535-L719 HydrophobicContact CD1-CD2 4.13Å; L535-L719 HydrophobicContact CD2-CB 4.47Å
536Y88.8Confident85.9Confident0 Ų015.8 Ų15.80%09%0.093CC..Hα-helixtrans-66.9-35.6-178.5-54-21.7000112.6K532 L533 Y534 G540 S545 Q600 P716 L717 F805K532-Y536 HydrophobicContact CB-CE2 4.37Å; K532-Y536 WeakPolarHBondContact O-CD1 3.31Å; K532-Y536 VanDerWaalsContact O-CD2 3.32Å; K532-Y536 WeakPolarHBondContact O-CD2 3.37Å; K532-Y536 PolarHBondContact O-N 3.39Å; L533-Y536 HydrophobicContact CD2-CD2 4.3Å; L533-Y536 PolarHBondContact O-N 3.13Å; Y534-Y536 VanDerWaalsContact C-N 3.32Å; Y534-Y536 PolarHBondContact O-N 3.31Å; Y536-G540 WeakPolarHBondContact O-CA 3.44Å; Y536-G540 PolarHBondContact O-N 3.47Å; Y536-S545 WeakPolarHBondContact CE2-OG 3.49Å; Y536-Q600 VanDerWaalsContact CE2-NE2 3.33Å; Y536-Q600 PolarHBondContact OH-NE2 3Å; Y536-P716 WeakPolarHBondContact CE1-O 3.48Å; Y536-L717 PolarHBondContact OH-O 2.9Å; Y536-F805 HydrophobicContact CD2-CD1 4.24Å; Y536-F805 HydrophobicContact CD2-CG 4.42Å; Y536-F805 HydrophobicContact CG-CD1 4.36Å; Y536-F805 HydrophobicContact CG-CE1 4.35Å; Y536-F805 WeakPolarHBondContact O-CE2 3.44Å; Y536-F805 WeakPolarHBondContact O-CZ 3.4Å
537H86.8Confident86.1Confident102 Ų10215.5 Ų15.547%0.4729%0.092SC..Hα-helixtrans-64.3-42.4174.6179.272.6000112.1L533 Y534 L535 F766L533-H537 WeakPolarHBondContact O-CB 3.41Å; L533-H537 PolarHBondContact O-N 3.45Å; Y534-H537 PolarHBondContact O-N 3.01Å; L535-H537 VanDerWaalsContact C-N 3.35Å; L535-H537 PolarHBondContact O-N 3.37Å; H537-F766 HydrophobicContact CB-CE2 3.82Å; H537-F766 HydrophobicContact CB-CZ 4.33Å; H537-F766 AromaticContact CD2-CE2 3.94Å; H537-F766 AromaticContact CG-CE2 3.79Å
538V85.9Confident86.5Confident24 Ų2414.2 Ų14.215%0.1458%0.083CC..Hα-helixtrans-74.7-44.5-178.3171.30000112.1Y534 L535 H643Y534-V538 HydrophobicContact CD1-CG2 4.3Å; Y534-V538 HydrophobicContact CD2-CG2 4.17Å; Y534-V538 HydrophobicContact CE1-CG2 3.87Å; Y534-V538 HydrophobicContact CE2-CG2 3.74Å; Y534-V538 HydrophobicContact CG-CG2 4.44Å; Y534-V538 WeakPolarHBondContact O-CG2 3.42Å; Y534-V538 PolarHBondContact O-N 3.14Å; L535-V538 PolarHBondContact O-N 3.24Å; V538-H643 HydrophobicContact CG1-CB 3.57Å; V538-H643 VanDerWaalsContact CG1-CG 3.46Å
539T83.5Confident86.7Confident1 Ų114.5 Ų14.51%0.0069%0.085CC..Hα-helixtrans-75.2-30.8-178.857.40000111.9L535 Q541 A636 K639 L640 P716L535-T539 WeakPolarHBondContact O-CG2 3.08Å; L535-T539 PolarHBondContact O-N 3.45Å; L535-T539 PolarHBondContact O-OG1 2.77Å; T539-Q541 PolarHBondContact O-N 3.04Å; T539-Q541 PolarHBondContact OG1-N 3.11Å; T539-Q541 VanDerWaalsContact OG1-N 3.1Å; T539-Q541 PolarHBondContact OG1-O 3.21Å; T539-A636 HydrophobicContact CG2-CB 3.96Å; T539-K639 PolarHBondContact O-NZ 3.35Å; T539-L640 HydrophobicContact CG2-CD1 3.99Å; T539-L640 HydrophobicContact CG2-CD2 3.51Å; T539-L640 HydrophobicContact CG2-CG 3.54Å; T539-P716 HydrophobicContact CG2-CG 4.39Å
540G81.1Confident86.7Confident27 Ų2720 Ų2028%0.27811%0.108SC..SBendtrans68.712.2-165.800000112.6Y536 G808Y536-G540 WeakPolarHBondContact O-CA 3.44Å; Y536-G540 PolarHBondContact O-N 3.47Å; G540-G808 VanDerWaalsContact O-CA 3.23Å; G540-G808 WeakPolarHBondContact O-CA 3.49Å
541Q81.3Confident86.3Confident45 Ų4522.9 Ų22.921%0.2114%0.138CC..  trans-136.8128.1-176.9-69.4-177.3-17.300109.2T539 H634 A636 P716T539-Q541 PolarHBondContact O-N 3.04Å; T539-Q541 PolarHBondContact OG1-N 3.11Å; T539-Q541 VanDerWaalsContact OG1-N 3.1Å; T539-Q541 PolarHBondContact OG1-O 3.21Å; Q541-H634 PolarHBondContact OE1-CE1 3.37Å; Q541-A636 HydrophobicContact CB-CB 4.4Å; Q541-P716 VanDerWaalsContact O-CG 3.27Å; Q541-P716 WeakPolarHBondContact O-CG 3.35Å
542G84.5Confident86.2Confident14 Ų1423.7 Ų23.714%0.14415%0.145CC..  trans178.8162.3-176.600000110.1
543P86.1Confident85.9Confident2 Ų233.4 Ų33.41%0.01318%0.181CC..  trans-64.6149.5174.827.3-33.6000110.8S545 Q600 L656 V715 L717P543-S545 PolarHBondContact O-N 3.46Å; P543-S545 VanDerWaalsContact O-N 3.08Å; P543-S545 PolarHBondContact O-OG 2.89Å; P543-Q600 HydrophobicContact CG-CB 4.49Å; P543-L656 HydrophobicContact CB-CD2 4.36Å; P543-V715 HydrophobicContact CB-CG2 4.37Å; P543-L717 HydrophobicContact CG-CD1 4.06Å
544P86.6Confident85.7Confident31 Ų3133.7 Ų33.720%0.20118%0.183CC..  trans-51.7120.8170.7-25.134.3000109.7F561 Y564 Q600 G601P544-F561 HydrophobicContact CB-CE1 4.47Å; P544-F561 WeakPolarHBondContact O-CE1 3.48Å; P544-Y564 WeakPolarHBondContact CD-OH 3.45Å; P544-Y564 HydrophobicContact CG-CE2 4.26Å; P544-Y564 WeakPolarHBondContact CG-OH 3.28Å; P544-Q600 WeakPolarHBondContact O-CA 3.08Å; P544-G601 PolarHBondContact O-N 3.04Å
545S89.9Confident85.4Confident0 Ų044.5 Ų44.50%022%0.223CC..EExtended strand (participates in β ladder)trans-134.3135-169.3-61.30000111.1Y536 P543 I599 Q600 F805Y536-S545 WeakPolarHBondContact CE2-OG 3.49Å; P543-S545 PolarHBondContact O-N 3.46Å; P543-S545 VanDerWaalsContact O-N 3.08Å; P543-S545 PolarHBondContact O-OG 2.89Å; S545-I599 CarbonylContact C-O 3.58Å; S545-I599 VanDerWaalsContact CA-O 3.27Å; S545-I599 WeakPolarHBondContact CA-O 3.08Å; S545-Q600 PolarHBondContact OG-NE2 3.39Å; S545-F805 PolarHBondContact N-O 2.93Å; S545-F805 PolarHBondContact O-N 3.36Å
546L89.7Confident85.2Confident0 Ų050.6 Ų50.60%025%0.25CC..EExtended strand (participates in β ladder)trans-128.4113.7178.7178.366.5000109.7L548 P558 F561 I599 L803 L804 W813L546-L548 HydrophobicContact CD1-CD2 4.21Å; L546-L548 HydrophobicContact CD2-CD1 4.32Å; L546-L548 HydrophobicContact CD2-CD2 4.14Å; L546-L548 HydrophobicContact CD2-CG 4.29Å; L546-L548 HydrophobicContact CG-CD2 4.04Å; L546-L548 HydrophobicContact CG-CG 4.09Å; L546-P558 HydrophobicContact CD2-CG 3.78Å; L546-F561 HydrophobicContact CB-CE2 3.8Å; L546-F561 HydrophobicContact CB-CZ 3.81Å; L546-F561 HydrophobicContact CD2-CE2 4.09Å; L546-I599 HydrophobicContact CB-CB 4.49Å; L546-I599 HydrophobicContact CD2-CD1 4.4Å; L546-I599 PolarHBondContact N-O 3.38Å; L546-I599 PolarHBondContact O-N 2.83Å; L546-L803 CarbonylContact C-O 3.58Å; L546-L803 WeakPolarHBondContact CA-O 3.46Å; L546-L804 HydrophobicContact CD1-CB 4.19Å; L546-L804 HydrophobicContact CD1-CD1 4.37Å; L546-W813 HydrophobicContact CD1-CB 4Å; L546-W813 HydrophobicContact CD1-CD2 3.91Å; L546-W813 HydrophobicContact CD1-CE3 4.22Å; L546-W813 HydrophobicContact CD1-CG 3.81Å
547L89.3Confident84.9Confident0 Ų051.6 Ų51.60%026%0.255CS..EExtended strand (participates in β ladder)trans-94.4126.4172.1-178.263.6000109.6I529 W530 L533 W572 L598 P799 N802 L803I529-L547 HydrophobicContact CG2-CD1 3.86Å; W530-L547 HydrophobicContact CH2-CD2 4.43Å; W530-L547 HydrophobicContact CZ3-CD2 4.44Å; L533-L547 HydrophobicContact CD1-CB 4.12Å; L533-L547 HydrophobicContact CD1-CD2 3.61Å; L533-L547 HydrophobicContact CD1-CG 4.47Å; L547-W572 HydrophobicContact CD1-CZ3 4.37Å; L547-L598 HydrophobicContact CB-CD1 4.03Å; L547-L598 HydrophobicContact CD1-CB 4.07Å; L547-L598 HydrophobicContact CD1-CD1 4.43Å; L547-P799 HydrophobicContact CD1-CG 4.4Å; L547-P799 HydrophobicContact CD2-CB 3.78Å; L547-P799 HydrophobicContact CD2-CG 3.96Å; L547-P799 HydrophobicContact CG-CB 4.33Å; L547-P799 HydrophobicContact CG-CG 4.17Å; L547-N802 CarbonylContact O-C 3.56Å; L547-N802 WeakPolarHBondContact O-CA 3.42Å; L547-L803 HydrophobicContact CB-CB 4.26Å; L547-L803 HydrophobicContact CD2-CD1 4.39Å; L547-L803 PolarHBondContact N-O 2.84Å; L547-L803 PolarHBondContact O-N 2.97Å
548L88.1Confident84.8Confident0 Ų047.7 Ų47.70%024%0.239CC..EExtended strand (participates in β ladder)trans-114.9132.2179.4-65.6173.5000110.9L546 L554 L592 A596 V597 I599 N802 W813L546-L548 HydrophobicContact CD1-CD2 4.21Å; L546-L548 HydrophobicContact CD2-CD1 4.32Å; L546-L548 HydrophobicContact CD2-CD2 4.14Å; L546-L548 HydrophobicContact CD2-CG 4.29Å; L546-L548 HydrophobicContact CG-CD2 4.04Å; L546-L548 HydrophobicContact CG-CG 4.09Å; L548-L554 HydrophobicContact CD1-CD1 3.69Å; L548-L554 HydrophobicContact CD1-CD2 3.99Å; L548-L554 HydrophobicContact CD1-CG 3.91Å; L548-L592 HydrophobicContact CB-CD1 4.42Å; L548-L592 HydrophobicContact CB-CD2 3.63Å; L548-L592 HydrophobicContact CD1-CD1 3.84Å; L548-L592 HydrophobicContact CD1-CD2 4.48Å; L548-A596 WeakPolarHBondContact O-CA 3.47Å; L548-A596 WeakPolarHBondContact O-CB 3.49Å; L548-V597 PolarHBondContact N-O 3.25Å; L548-V597 PolarHBondContact O-N 2.99Å; L548-V597 VanDerWaalsContact O-N 3.08Å; L548-I599 HydrophobicContact CD1-CD1 3.87Å; L548-N802 WeakPolarHBondContact CA-OD1 3.27Å; L548-N802 HydrophobicContact CD2-CB 4.25Å; L548-W813 HydrophobicContact CD2-CE3 3.73Å; L548-W813 HydrophobicContact CD2-CZ3 3.64Å
549S87.9Confident84.5Confident21 Ų2151.2 Ų51.215%0.14726%0.257CS..  trans-72.3151.8174.565.20000111.3G551 S552 P799 N802S549-G551 PolarHBondContact O-N 3.09Å; S549-S552 VanDerWaalsContact O-CB 3.24Å; S549-S552 WeakPolarHBondContact O-CB 3.41Å; S549-S552 PolarHBondContact O-N 3.3Å; S549-S552 VanDerWaalsContact O-N 3.13Å; S549-S552 PolarHBondContact O-OG 2.96Å; S549-S552 VanDerWaalsContact O-OG 3.11Å; S549-S552 PolarHBondContact OG-OG 2.71Å; S549-P799 WeakPolarHBondContact CB-O 3.47Å; S549-N802 PolarHBondContact N-OD1 2.99Å; S549-N802 PolarHBondContact OG-OD1 2.86Å
550K84.6Confident84.5Confident121 Ų12152.9 Ų52.953%0.52627%0.265SS..THydrogen-bonded Turntrans-56.7133.2178.3-180176.3175.9162.60110.6T593 H594K550-T593 VanDerWaalsContact CE-O 3.31Å; K550-T593 WeakPolarHBondContact CE-O 3.27Å; K550-H594 WeakPolarHBondContact CD-O 3.32Å; K550-H594 WeakPolarHBondContact CE-O 3.49Å; K550-H594 PolarHBondContact NZ-O 3.1Å
551G81.4Confident84.6Confident61 Ų6151.6 Ų51.663%0.62925%0.252SS*.THydrogen-bonded Turntrans89.6-4.3-177.800000114.7S549 L592S549-G551 PolarHBondContact O-N 3.09Å; G551-L592 PolarHBondContact N-O 2.95Å
552S83.7Confident84.5Confident23 Ų2354.6 Ų54.616%0.16127%0.266CS..  trans-65.8143.3170.5-71.40000111.2S549 L592 N802S549-S552 VanDerWaalsContact O-CB 3.24Å; S549-S552 WeakPolarHBondContact O-CB 3.41Å; S549-S552 PolarHBondContact O-N 3.3Å; S549-S552 VanDerWaalsContact O-N 3.13Å; S549-S552 PolarHBondContact O-OG 2.96Å; S549-S552 VanDerWaalsContact O-OG 3.11Å; S549-S552 PolarHBondContact OG-OG 2.71Å; S552-L592 WeakPolarHBondContact O-CB 3.46Å; S552-L592 WeakPolarHBondContact O-CD1 3.27Å; S552-N802 PolarHBondContact OG-ND2 3.08Å; S552-N802 PolarHBondContact OG-OD1 3.49Å
553R81.9Confident84.3Confident215 Ų21556.5 Ų56.581%0.81128%0.281SS*.  trans-126.5123.1177.9-169.5176.4-179.4176.61.7111.4N589R553-N589 WeakPolarHBondContact CG-OD1 3.21Å
554L82.9Confident84.1Confident6 Ų657.7 Ų57.73%0.03129%0.285CS..  trans-92.6129.3176.9-63.6179.1000110.5L548 L585 L588 N589 I599 W813L548-L554 HydrophobicContact CD1-CD1 3.69Å; L548-L554 HydrophobicContact CD1-CD2 3.99Å; L548-L554 HydrophobicContact CD1-CG 3.91Å; L554-L585 HydrophobicContact CB-CD1 3.66Å; L554-L588 HydrophobicContact CD1-CD1 4.07Å; L554-N589 PolarHBondContact N-OD1 2.89Å; L554-N589 PolarHBondContact O-ND2 3.44Å; L554-N589 PolarHBondContact O-OD1 3.27Å; L554-I599 HydrophobicContact CD1-CD1 4.29Å; L554-W813 HydrophobicContact CD2-CH2 3.53Å; L554-W813 HydrophobicContact CD2-CZ3 3.98Å
555R83.3Confident83.9Confident240 Ų24060.4 Ų60.491%0.90630%0.298SS*.SBendtrans-90.5-29.2172.4-65.3-174.1-178-173.60.5113.1
556K82.8Confident83.6Confident130 Ų13064.1 Ų64.157%0.56531%0.312SS*.SBendtrans-145.1148.5178.1-169.5-167.3175-160.70107.4D559K556-D559 IonicContact NZ-OD1 3.67Å; K556-D559 PolarHBondContact NZ-OD1 3.04Å
557L82.4Confident83.5Confident21 Ų2164.1 Ų64.111%0.1131%0.312CS..  trans-65130.2168.3-17172.2000109.7F561 L567 T581 V584L557-F561 HydrophobicContact CD1-CB 4.25Å; L557-F561 HydrophobicContact CD1-CD2 4.08Å; L557-F561 HydrophobicContact CD2-CB 3.7Å; L557-F561 HydrophobicContact CG-CB 3.88Å; L557-F561 HydrophobicContact CG-CD2 4.36Å; L557-L567 HydrophobicContact CD1-CD1 4.02Å; L557-L567 HydrophobicContact CD2-CD1 4.1Å; L557-T581 HydrophobicContact CD2-CG2 3.5Å; L557-V584 HydrophobicContact CD1-CG1 4.04Å; L557-V584 HydrophobicContact CD2-CG1 4.3Å
558P83.4Confident83.4Confident20 Ų2064.8 Ų64.813%0.1332%0.315CS..  trans-54.9143.8177.5-30.138.8000112.9L546 I560 F561 W813L546-P558 HydrophobicContact CD2-CG 3.78Å; P558-I560 HydrophobicContact CB-CD1 4.3Å; P558-I560 HydrophobicContact CB-CG1 3.98Å; P558-I560 PolarHBondContact O-N 3.48Å; P558-F561 HydrophobicContact CB-CD2 4.25Å; P558-F561 HydrophobicContact CG-CD2 4.47Å; P558-F561 PolarHBondContact O-N 2.93Å; P558-W813 HydrophobicContact CG-CZ2 4.21Å
559D80.4Confident83.4Confident97 Ų9765.2 Ų65.252%0.51932%0.317SS..G310 helixtrans-61.7-21.3-172.7-56-41.7000113.2K556 F561 Q562K556-D559 IonicContact NZ-OD1 3.67Å; K556-D559 PolarHBondContact NZ-OD1 3.04Å; D559-F561 PolarHBondContact O-N 3.49Å; D559-Q562 PolarHBondContact O-N 2.84Å; D559-Q562 PolarHBondContact OD1-NE2 2.97Å
560I82.4Confident83.4Confident37 Ų3764.2 Ų64.219%0.1931%0.31CS..G310 helixtrans-58.9-26.1173.865.6-175.8000113.5P558 L804 K806P558-I560 HydrophobicContact CB-CD1 4.3Å; P558-I560 HydrophobicContact CB-CG1 3.98Å; P558-I560 PolarHBondContact O-N 3.48Å; I560-L804 HydrophobicContact CD1-CD1 3.33Å; I560-K806 HydrophobicContact CG2-CD 3.95Å
561F83.8Confident83.5Confident0 Ų059.6 Ų59.60%029%0.293CS..G310 helixtrans-101.4-3.6-176.5-63.2-57.6000113.1P544 L546 L557 P558 D559 A563 Y564 L567 I599P544-F561 HydrophobicContact CB-CE1 4.47Å; P544-F561 WeakPolarHBondContact O-CE1 3.48Å; L546-F561 HydrophobicContact CB-CE2 3.8Å; L546-F561 HydrophobicContact CB-CZ 3.81Å; L546-F561 HydrophobicContact CD2-CE2 4.09Å; L557-F561 HydrophobicContact CD1-CB 4.25Å; L557-F561 HydrophobicContact CD1-CD2 4.08Å; L557-F561 HydrophobicContact CD2-CB 3.7Å; L557-F561 HydrophobicContact CG-CB 3.88Å; L557-F561 HydrophobicContact CG-CD2 4.36Å; P558-F561 HydrophobicContact CB-CD2 4.25Å; P558-F561 HydrophobicContact CG-CD2 4.47Å; P558-F561 PolarHBondContact O-N 2.93Å; D559-F561 PolarHBondContact O-N 3.49Å; F561-A563 PolarHBondContact O-N 2.95Å; F561-Y564 PolarHBondContact O-N 3.25Å; F561-Y564 VanDerWaalsContact O-N 3.12Å; F561-L567 HydrophobicContact CB-CD1 4.28Å; F561-L567 HydrophobicContact CB-CD2 3.99Å; F561-L567 HydrophobicContact CD1-CD2 3.64Å; F561-L567 HydrophobicContact CE1-CD2 4.43Å; F561-L567 HydrophobicContact CG-CD1 4.45Å; F561-L567 HydrophobicContact CG-CD2 4.04Å; F561-I599 HydrophobicContact CD2-CG2 4.29Å; F561-I599 HydrophobicContact CE1-CG2 4.09Å; F561-I599 HydrophobicContact CE2-CB 4.26Å; F561-I599 HydrophobicContact CE2-CG2 3.83Å; F561-I599 HydrophobicContact CZ-CB 4.08Å; F561-I599 HydrophobicContact CZ-CG2 3.72Å
562Q79.2Confident83.6Confident107 Ų10758.6 Ų58.650%0.527%0.271SS..THydrogen-bonded Turntrans-66.3-24.6-178.2-78.7174.710.900113.6D559 Y564D559-Q562 PolarHBondContact O-N 2.84Å; D559-Q562 PolarHBondContact OD1-NE2 2.97Å; Q562-Y564 PolarHBondContact O-N 2.85Å
563A79.9Confident83.1Confident55 Ų5558.6 Ų58.646%0.45527%0.274SS..THydrogen-bonded Turntrans-841.517800000113.3F561 M604F561-A563 PolarHBondContact O-N 2.95Å; A563-M604 HydrophobicContact CB-CE 3.61Å
564Y82.1Confident83Confident27 Ų2753.2 Ų53.211%0.10626%0.258CS..  trans-110.4127.1-178.6-67.7-93.9000110.8P544 F561 Q562 L567 T581 M604P544-Y564 WeakPolarHBondContact CD-OH 3.45Å; P544-Y564 HydrophobicContact CG-CE2 4.26Å; P544-Y564 WeakPolarHBondContact CG-OH 3.28Å; F561-Y564 PolarHBondContact O-N 3.25Å; F561-Y564 VanDerWaalsContact O-N 3.12Å; Q562-Y564 PolarHBondContact O-N 2.85Å; Y564-L567 HydrophobicContact CG-CD2 4.44Å; Y564-T581 WeakPolarHBondContact O-CB 3.41Å; Y564-T581 PolarHBondContact O-OG1 2.87Å; Y564-M604 HydrophobicContact CD1-CG 3.77Å; Y564-M604 HydrophobicContact CE1-CG 3.68Å; Y564-M604 HydrophobicContact CG-CG 4.34Å
565D82.8Confident82.7Confident88 Ų8856.5 Ų56.547%0.47128%0.276SS..SBendtrans-76.2-31.3174.4-74.9-16.4000111.7T581 G603D565-T581 VanDerWaalsContact C-OG1 3.3Å; D565-T581 PolarHBondContact O-N 2.89Å; D565-T581 PolarHBondContact O-OG1 3.24Å; D565-T581 VanDerWaalsContact O-OG1 3.13Å; D565-G603 PolarHBondContact N-O 3.4Å
566R84.1Confident82.7Confident78 Ų7847 Ų4729%0.29425%0.245SC..EExtended strand (participates in β ladder)trans-131.9136.4-179.1-66.8-175.1177-104.45.6111.5V578 V579 H602 G603R566-V578 HydrophobicContact CB-CG1 3.96Å; R566-V578 HydrophobicContact CG-CG1 4.41Å; R566-V579 WeakPolarHBondContact CA-O 3.39Å; R566-H602 PolarHBondContact O-N 3.23Å; R566-G603 PolarHBondContact N-O 2.97Å; R566-G603 PolarHBondContact O-N 2.84Å
567L86.9Confident82.8Confident0 Ų041 Ų410%022%0.22CC..EExtended strand (participates in β ladder)trans-115.4143.2178.5-58.7177.1000110.2L557 F561 Y564 V578 V579 V584 I599 Q600L557-L567 HydrophobicContact CD1-CD1 4.02Å; L557-L567 HydrophobicContact CD2-CD1 4.1Å; F561-L567 HydrophobicContact CB-CD1 4.28Å; F561-L567 HydrophobicContact CB-CD2 3.99Å; F561-L567 HydrophobicContact CD1-CD2 3.64Å; F561-L567 HydrophobicContact CE1-CD2 4.43Å; F561-L567 HydrophobicContact CG-CD1 4.45Å; F561-L567 HydrophobicContact CG-CD2 4.04Å; Y564-L567 HydrophobicContact CG-CD2 4.44Å; L567-V578 WeakPolarHBondContact O-CA 3.48Å; L567-V579 PolarHBondContact N-O 3.46Å; L567-V579 PolarHBondContact O-N 3.48Å; L567-V584 HydrophobicContact CD1-CB 4.48Å; L567-V584 HydrophobicContact CD1-CG1 4.17Å; L567-V584 HydrophobicContact CD1-CG2 3.99Å; L567-I599 HydrophobicContact CB-CG2 4.43Å; L567-I599 HydrophobicContact CD1-CG2 4.08Å; L567-Q600 CarbonylContact C-O 3.57Å; L567-Q600 WeakPolarHBondContact CA-O 3.4Å
568L87.6Confident82.9Confident14 Ų1441.3 Ų41.37%0.07322%0.223CC..EExtended strand (participates in β ladder)trans-90.7120.9170-170.770.4000108.4P576 V578 Q600 H602 L717L568-P576 HydrophobicContact CD1-CB 3.94Å; L568-P576 HydrophobicContact CD2-CB 4.41Å; L568-P576 HydrophobicContact CG-CB 4.16Å; L568-V578 HydrophobicContact CD1-CG2 3.59Å; L568-Q600 HydrophobicContact CB-CB 4.23Å; L568-Q600 PolarHBondContact N-O 3.19Å; L568-Q600 PolarHBondContact O-N 3.06Å; L568-H602 HydrophobicContact CB-CB 4.24Å; L568-L717 HydrophobicContact CD2-CD1 4.11Å; L568-L717 HydrophobicContact CD2-CD2 4.44Å
569I88.7Confident83Confident8 Ų841 Ų414%0.04122%0.22CC..EExtended strand (participates in β ladder)trans-112.3123.1-179.7-54.2-179.2000108P576 G577 V579 V584 M587 L588 V597 L598I569-P576 WeakPolarHBondContact O-CA 3.33Å; I569-G577 PolarHBondContact N-O 2.68Å; I569-G577 PolarHBondContact O-N 3Å; I569-V579 HydrophobicContact CD1-CB 3.79Å; I569-V579 HydrophobicContact CD1-CG1 4.08Å; I569-V579 HydrophobicContact CD1-CG2 3.79Å; I569-V579 HydrophobicContact CG1-CB 4.34Å; I569-V579 HydrophobicContact CG1-CG2 4.28Å; I569-V584 HydrophobicContact CD1-CG2 3.46Å; I569-V584 VanDerWaalsContact CD1-CG2 3.46Å; I569-V584 HydrophobicContact CG1-CG2 4.37Å; I569-M587 HydrophobicContact CD1-CE 4Å; I569-M587 HydrophobicContact CD1-SD 3.72Å; I569-L588 HydrophobicContact CD1-CD2 3.96Å; I569-L588 HydrophobicContact CD1-CG 4.32Å; I569-L588 HydrophobicContact CG1-CD2 4.39Å; I569-L588 HydrophobicContact CG2-CD2 3.93Å; I569-V597 HydrophobicContact CG2-CG1 3.49Å; I569-V597 VanDerWaalsContact CG2-CG1 3.49Å; I569-L598 WeakPolarHBondContact CA-O 3.38Å
570T87.3Confident83.2Confident0 Ų038.8 Ų38.80%021%0.212CC..EExtended strand (participates in β ladder)trans-119.9108.4174.6-44.60000108.9I529 P576 L598I529-T570 HydrophobicContact CD1-CG2 4.03Å; I529-T570 HydrophobicContact CG1-CG2 4.03Å; T570-P576 HydrophobicContact CG2-CB 4.31Å; T570-P576 WeakPolarHBondContact OG1-CB 3.21Å; T570-L598 PolarHBondContact N-O 3.3Å; T570-L598 PolarHBondContact O-N 2.73Å
571S86.6Confident83.3Confident24 Ų2438.8 Ų38.817%0.16821%0.213CC..EExtended strand (participates in β ladder)trans-77.3150.7171.2-64.50000110.2G573 H574S571-G573 PolarHBondContact O-N 3.43Å; S571-H574 PolarHBondContact O-N 2.99Å
572W82.4Confident83.2Confident41 Ų4143.5 Ų43.516%0.15525%0.246CC..THydrogen-bonded Turntrans-58.7121.2-179-154.3-90.8000111.8I529 W530 L547 H574 A596 V796 P797 L798 P799I529-W572 HydrophobicContact CB-CE3 4.43Å; I529-W572 HydrophobicContact CB-CH2 4.48Å; I529-W572 HydrophobicContact CB-CZ3 3.98Å; I529-W572 HydrophobicContact CD1-CD2 4.32Å; I529-W572 HydrophobicContact CD1-CE3 3.65Å; I529-W572 HydrophobicContact CD1-CZ3 4.07Å; I529-W572 HydrophobicContact CG2-CZ3 4.11Å; W530-W572 AromaticContact CD1-CH2 3.61Å; W530-W572 AromaticContact CE2-CH2 3.93Å; W530-W572 HydrophobicContact CG-CH2 4.33Å; W530-W572 AromaticContact NE1-CH2 3.34Å; W530-W572 VanDerWaalsContact NE1-CH2 3.34Å; W530-W572 AromaticContact NE1-CZ2 3.79Å; L547-W572 HydrophobicContact CD1-CZ3 4.37Å; W572-H574 VanDerWaalsContact C-N 3.28Å; W572-H574 PolarHBondContact O-N 3.1Å; W572-A596 HydrophobicContact CB-CB 4.42Å; W572-A596 HydrophobicContact CD2-CB 4.43Å; W572-A596 HydrophobicContact CE3-CB 3.86Å; W572-A596 PolarHBondContact N-O 3.33Å; W572-V796 HydrophobicContact CZ2-CB 4.34Å; W572-V796 HydrophobicContact CZ2-CG1 3.79Å; W572-P797 VanDerWaalsContact CZ2-O 3.25Å; W572-P797 WeakPolarHBondContact CZ2-O 3.39Å; W572-L798 HydrophobicContact CD2-CD2 3.86Å; W572-L798 HydrophobicContact CG-CD2 3.81Å; W572-P799 HydrophobicContact CZ3-CG 4.06Å
573G73.8Confident83.2Confident22 Ų2243.6 Ų43.623%0.22725%0.25CC..THydrogen-bonded Turntrans81.1-4.7-179.200000115.1E507 S571E507-G573 WeakPolarHBondContact CG-O 3.43Å; S571-G573 PolarHBondContact O-N 3.43Å
574H79.6Confident83.4Confident102 Ų10241 Ų4147%0.47223%0.229SC..SBendtrans-108.3163.8178.7-67.1-63000112.2N506 E507 S571 W572N506-H574 PolarHBondContact ND2-O 2.91Å; E507-H574 IonicContact OE1-CE1 3.92Å; E507-H574 IonicContact OE1-ND1 3.12Å; S571-H574 PolarHBondContact O-N 2.99Å; W572-H574 VanDerWaalsContact C-N 3.28Å; W572-H574 PolarHBondContact O-N 3.1Å
575D77.2Confident83.6Confident76 Ų7642.3 Ų42.341%0.40624%0.237SC..  trans-71.8149.2176.3-66.9-33000111.6
576P84.2Confident83.7Confident40 Ų4043.4 Ų43.426%0.2625%0.247SC..  trans-71.5136.1-177.630.9-36.2000111.7L568 I569 T570L568-P576 HydrophobicContact CD1-CB 3.94Å; L568-P576 HydrophobicContact CD2-CB 4.41Å; L568-P576 HydrophobicContact CG-CB 4.16Å; I569-P576 WeakPolarHBondContact O-CA 3.33Å; T570-P576 HydrophobicContact CG2-CB 4.31Å; T570-P576 WeakPolarHBondContact OG1-CB 3.21Å
577G84.5Confident83.8Confident5 Ų542.6 Ų42.65%0.05225%0.248CC..EExtended strand (participates in β ladder)trans-119.6138.5177.400000112.8I569I569-G577 PolarHBondContact N-O 2.68Å; I569-G577 PolarHBondContact O-N 3Å
578V85.1Confident83.8Confident27 Ų2742.6 Ų42.616%0.16425%0.248CC..EExtended strand (participates in β ladder)trans-91.6123.6176.1177.10000110.5R566 L567 L568 V694R566-V578 HydrophobicContact CB-CG1 3.96Å; R566-V578 HydrophobicContact CG-CG1 4.41Å; L567-V578 WeakPolarHBondContact O-CA 3.48Å; L568-V578 HydrophobicContact CD1-CG2 3.59Å; V578-V694 HydrophobicContact CB-CG2 4.15Å; V578-V694 HydrophobicContact CG2-CG2 3.65Å
579V84.5Confident83.8Confident13 Ų1343.7 Ų43.78%0.07925%0.253CS..EExtended strand (participates in β ladder)trans-130.4137-169.11750000109.7R566 L567 I569 V584 M587R566-V579 WeakPolarHBondContact CA-O 3.39Å; L567-V579 PolarHBondContact N-O 3.46Å; L567-V579 PolarHBondContact O-N 3.48Å; I569-V579 HydrophobicContact CD1-CB 3.79Å; I569-V579 HydrophobicContact CD1-CG1 4.08Å; I569-V579 HydrophobicContact CD1-CG2 3.79Å; I569-V579 HydrophobicContact CG1-CB 4.34Å; I569-V579 HydrophobicContact CG1-CG2 4.28Å; V579-V584 HydrophobicContact CG1-CB 4.41Å; V579-V584 HydrophobicContact CG1-CG2 4.37Å; V579-M587 HydrophobicContact CB-CE 3.96Å; V579-M587 HydrophobicContact CG1-CE 3.39Å; V579-M587 HydrophobicContact CG2-CE 3.37Å
580P85.2Confident83.8Confident51 Ų5148.3 Ų48.333%0.33128%0.278SS..EExtended strand (participates in β ladder)trans-68141.617529.1-35000111.7S582 N583P580-S582 PolarHBondContact O-N 3.48Å; P580-S582 VanDerWaalsContact O-N 3.08Å; P580-N583 PolarHBondContact O-N 3.15Å
581T83.6Confident83.6Confident37 Ų3749.2 Ų49.223%0.22729%0.286CS..THydrogen-bonded Turntrans-61.2-21.8-177.6-59.20000113.3L557 Y564 D565 N583 V584L557-T581 HydrophobicContact CD2-CG2 3.5Å; Y564-T581 WeakPolarHBondContact O-CB 3.41Å; Y564-T581 PolarHBondContact O-OG1 2.87Å; D565-T581 VanDerWaalsContact C-OG1 3.3Å; D565-T581 PolarHBondContact O-N 2.89Å; D565-T581 PolarHBondContact O-OG1 3.24Å; D565-T581 VanDerWaalsContact O-OG1 3.13Å; T581-N583 PolarHBondContact O-N 3.17Å; T581-V584 WeakPolarHBondContact O-CG1 3.48Å
582S81.4Confident83.6Confident99 Ų9948.1 Ų48.169%0.69228%0.278SS*.THydrogen-bonded Turntrans-61.7-37.7179.550.60000114.2P580P580-S582 PolarHBondContact O-N 3.48Å; P580-S582 VanDerWaalsContact O-N 3.08Å
583N79.9Confident83.7Confident108 Ų10849.8 Ų49.858%0.57829%0.293SS*.THydrogen-bonded Turntrans-112.65.3-173.1-67.8-12.2000113.4P580 T581 L585 T586P580-N583 PolarHBondContact O-N 3.15Å; T581-N583 PolarHBondContact O-N 3.17Å; N583-L585 PolarHBondContact O-N 3.31Å; N583-T586 PolarHBondContact O-OG1 3.28Å
584V84.3Confident84.2Confident2 Ų255.1 Ų55.11%0.01231%0.311CS..Hα-helixtrans-68.5-34.1-16874.20000113.3L557 L567 I569 V579 T581 T586 M587 L588L557-V584 HydrophobicContact CD1-CG1 4.04Å; L557-V584 HydrophobicContact CD2-CG1 4.3Å; L567-V584 HydrophobicContact CD1-CB 4.48Å; L567-V584 HydrophobicContact CD1-CG1 4.17Å; L567-V584 HydrophobicContact CD1-CG2 3.99Å; I569-V584 HydrophobicContact CD1-CG2 3.46Å; I569-V584 VanDerWaalsContact CD1-CG2 3.46Å; I569-V584 HydrophobicContact CG1-CG2 4.37Å; V579-V584 HydrophobicContact CG1-CB 4.41Å; V579-V584 HydrophobicContact CG1-CG2 4.37Å; T581-V584 WeakPolarHBondContact O-CG1 3.48Å; V584-T586 PolarHBondContact O-N 2.73Å; V584-M587 PolarHBondContact O-N 2.96Å; V584-L588 HydrophobicContact CG2-CD1 3.64Å; V584-L588 HydrophobicContact CG2-CG 3.84Å; V584-L588 VanDerWaalsContact O-CB 3.31Å; V584-L588 WeakPolarHBondContact O-CB 3.3Å; V584-L588 WeakPolarHBondContact O-CG 3.35Å; V584-L588 PolarHBondContact O-N 3.26Å
585L85.9Confident84.5Confident54 Ų5451.3 Ų51.328%0.28330%0.296SS..Hα-helixtrans-68.9-39.3-169.9-172.667.7000113.4L554 N583 N589L554-L585 HydrophobicContact CB-CD1 3.66Å; N583-L585 PolarHBondContact O-N 3.31Å; L585-N589 WeakPolarHBondContact O-CB 3.25Å; L585-N589 PolarHBondContact O-N 2.7Å; L585-N589 VanDerWaalsContact O-N 3.17Å; L585-N589 PolarHBondContact O-ND2 2.99Å
586T85.5Confident84.9Confident110 Ų11047.7 Ų47.768%0.67528%0.277SS*.Hα-helixtrans-68.3-46.9177.833.10000110.6N583 V584 N589 D590N583-T586 PolarHBondContact O-OG1 3.28Å; V584-T586 PolarHBondContact O-N 2.73Å; T586-N589 PolarHBondContact O-N 3.29Å; T586-D590 PolarHBondContact O-N 2.85Å; T586-D590 VanDerWaalsContact O-N 3.08Å
587M85.9Confident85.2Confident62 Ų6245.8 Ų45.831%0.30527%0.265SS..Hα-helixtrans-65.3-40.8178.7-176.7-121.8-73.500112.5I569 V579 V584 N589 D590 A591I569-M587 HydrophobicContact CD1-CE 4Å; I569-M587 HydrophobicContact CD1-SD 3.72Å; V579-M587 HydrophobicContact CB-CE 3.96Å; V579-M587 HydrophobicContact CG1-CE 3.39Å; V579-M587 HydrophobicContact CG2-CE 3.37Å; V584-M587 PolarHBondContact O-N 2.96Å; M587-N589 PolarHBondContact O-N 3.09Å; M587-D590 PolarHBondContact O-N 3.17Å; M587-A591 WeakPolarHBondContact O-CB 3.41Å; M587-A591 PolarHBondContact O-N 3.39Å
588L86.6Confident85.4Confident0 Ų045.6 Ų45.60%026%0.262CS..Hα-helixtrans-60.6-46175.1-76.2174.8000112L554 I569 V584 D590 A591 L592 V597 I599L554-L588 HydrophobicContact CD1-CD1 4.07Å; I569-L588 HydrophobicContact CD1-CD2 3.96Å; I569-L588 HydrophobicContact CD1-CG 4.32Å; I569-L588 HydrophobicContact CG1-CD2 4.39Å; I569-L588 HydrophobicContact CG2-CD2 3.93Å; V584-L588 HydrophobicContact CG2-CD1 3.64Å; V584-L588 HydrophobicContact CG2-CG 3.84Å; V584-L588 VanDerWaalsContact O-CB 3.31Å; V584-L588 WeakPolarHBondContact O-CB 3.3Å; V584-L588 WeakPolarHBondContact O-CG 3.35Å; V584-L588 PolarHBondContact O-N 3.26Å; L588-D590 VanDerWaalsContact C-N 3.28Å; L588-D590 PolarHBondContact O-N 3.15Å; L588-A591 PolarHBondContact O-N 2.94Å; L588-L592 VanDerWaalsContact O-CB 3.3Å; L588-L592 WeakPolarHBondContact O-CB 3.35Å; L588-L592 WeakPolarHBondContact O-CD1 3.41Å; L588-L592 WeakPolarHBondContact O-CG 3.2Å; L588-L592 PolarHBondContact O-N 3.45Å; L588-V597 HydrophobicContact CD2-CG1 3.75Å; L588-I599 HydrophobicContact CD1-CD1 3.5Å; L588-I599 HydrophobicContact CD1-CG1 4.18Å; L588-I599 HydrophobicContact CD2-CD1 3.83Å; L588-I599 HydrophobicContact CD2-CG1 3.76Å; L588-I599 HydrophobicContact CG-CD1 4.31Å
589N87.9Confident85.6Confident36 Ų3644.3 Ų44.319%0.19326%0.255CS..Hα-helixtrans-65.4-33.1179.9-80-47.8000112.2R553 L554 L585 T586 M587 T593R553-N589 WeakPolarHBondContact CG-OD1 3.21Å; L554-N589 PolarHBondContact N-OD1 2.89Å; L554-N589 PolarHBondContact O-ND2 3.44Å; L554-N589 PolarHBondContact O-OD1 3.27Å; L585-N589 WeakPolarHBondContact O-CB 3.25Å; L585-N589 PolarHBondContact O-N 2.7Å; L585-N589 VanDerWaalsContact O-N 3.17Å; L585-N589 PolarHBondContact O-ND2 2.99Å; T586-N589 PolarHBondContact O-N 3.29Å; M587-N589 PolarHBondContact O-N 3.09Å; N589-T593 WeakPolarHBondContact O-CG2 3.16Å
590D87.6Confident85.8Confident105 Ų10543.7 Ų43.756%0.56125%0.251SS*.Hα-helixtrans-69.1-50.7174.5-167.248.9000111.2T586 M587 L588 L592 T593T586-D590 PolarHBondContact O-N 2.85Å; T586-D590 VanDerWaalsContact O-N 3.08Å; M587-D590 PolarHBondContact O-N 3.17Å; L588-D590 VanDerWaalsContact C-N 3.28Å; L588-D590 PolarHBondContact O-N 3.15Å; D590-L592 VanDerWaalsContact C-N 3.3Å; D590-L592 PolarHBondContact O-N 3.28Å; D590-T593 WeakPolarHBondContact O-CB 3.42Å; D590-T593 PolarHBondContact O-N 2.92Å; D590-T593 PolarHBondContact O-OG1 2.9Å
591A85Confident85.8Confident19 Ų1941.3 Ų41.316%0.15724%0.235CC..Hα-helixtrans-58.4-39.2177.100000112.7M587 L588 T593 H594 S595 V597M587-A591 WeakPolarHBondContact O-CB 3.41Å; M587-A591 PolarHBondContact O-N 3.39Å; L588-A591 PolarHBondContact O-N 2.94Å; A591-T593 PolarHBondContact O-N 3.42Å; A591-H594 PolarHBondContact O-N 3.17Å; A591-S595 PolarHBondContact O-N 3.23Å; A591-S595 PolarHBondContact O-OG 3.06Å; A591-V597 HydrophobicContact CB-CG2 3.89Å
592L86.1Confident85.7Confident1 Ų139.8 Ų39.81%0.00523%0.226CC..Hα-helixtrans-65.8-17.1178.6-74.3166.6000113.9L548 G551 S552 L588 D590 H594 S595 V597L548-L592 HydrophobicContact CB-CD1 4.42Å; L548-L592 HydrophobicContact CB-CD2 3.63Å; L548-L592 HydrophobicContact CD1-CD1 3.84Å; L548-L592 HydrophobicContact CD1-CD2 4.48Å; G551-L592 PolarHBondContact N-O 2.95Å; S552-L592 WeakPolarHBondContact O-CB 3.46Å; S552-L592 WeakPolarHBondContact O-CD1 3.27Å; L588-L592 VanDerWaalsContact O-CB 3.3Å; L588-L592 WeakPolarHBondContact O-CB 3.35Å; L588-L592 WeakPolarHBondContact O-CD1 3.41Å; L588-L592 WeakPolarHBondContact O-CG 3.2Å; L588-L592 PolarHBondContact O-N 3.45Å; D590-L592 VanDerWaalsContact C-N 3.3Å; D590-L592 PolarHBondContact O-N 3.28Å; L592-H594 VanDerWaalsContact C-N 3.3Å; L592-S595 WeakPolarHBondContact CA-O 3.18Å; L592-V597 HydrophobicContact CD2-CB 4Å; L592-V597 HydrophobicContact CD2-CG2 3.9Å; L592-V597 HydrophobicContact CG-CB 4.49Å; L592-V597 HydrophobicContact CG-CG2 4.13Å
593T85Confident85.7Confident76 Ų7635.1 Ų35.147%0.46619%0.193SC..Hα-helixtrans-71.2-29.717269.70000112.1K550 N589 D590 A591K550-T593 VanDerWaalsContact CE-O 3.31Å; K550-T593 WeakPolarHBondContact CE-O 3.27Å; N589-T593 WeakPolarHBondContact O-CG2 3.16Å; D590-T593 WeakPolarHBondContact O-CB 3.42Å; D590-T593 PolarHBondContact O-N 2.92Å; D590-T593 PolarHBondContact O-OG1 2.9Å; A591-T593 PolarHBondContact O-N 3.42Å
594H83.9Confident85.3Confident134 Ų13432.1 Ų32.162%0.6218%0.176SC*.Hα-helixtrans-103.6-38.3-173.4-62.9-62.5000112.8K550 A591 L592K550-H594 WeakPolarHBondContact CD-O 3.32Å; K550-H594 WeakPolarHBondContact CE-O 3.49Å; K550-H594 PolarHBondContact NZ-O 3.1Å; A591-H594 PolarHBondContact O-N 3.17Å; L592-H594 VanDerWaalsContact C-N 3.3Å
595S85.1Confident84.2Confident22 Ų2237.9 Ų37.915%0.15420%0.203CC..SBendtrans-144.1164.5-173.356.80000113.6A591 L592A591-S595 PolarHBondContact O-N 3.23Å; A591-S595 PolarHBondContact O-OG 3.06Å; L592-S595 WeakPolarHBondContact CA-O 3.18Å
596A86.7Confident83.3Confident1 Ų136.5 Ų36.51%0.00820%0.202CC..  trans-72151.1164.600000110.3L548 W572 P799L548-A596 WeakPolarHBondContact O-CA 3.47Å; L548-A596 WeakPolarHBondContact O-CB 3.49Å; W572-A596 HydrophobicContact CB-CB 4.42Å; W572-A596 HydrophobicContact CD2-CB 4.43Å; W572-A596 HydrophobicContact CE3-CB 3.86Å; W572-A596 PolarHBondContact N-O 3.33Å; A596-P799 HydrophobicContact CB-CG 3.69Å
597V88.6Confident82.5Confident0 Ų034.6 Ų34.60%019%0.185CC..EExtended strand (participates in β ladder)trans-137130.7-173.9-177.20000110.9L548 I569 L588 A591 L592 I599L548-V597 PolarHBondContact N-O 3.25Å; L548-V597 PolarHBondContact O-N 2.99Å; L548-V597 VanDerWaalsContact O-N 3.08Å; I569-V597 HydrophobicContact CG2-CG1 3.49Å; I569-V597 VanDerWaalsContact CG2-CG1 3.49Å; L588-V597 HydrophobicContact CD2-CG1 3.75Å; A591-V597 HydrophobicContact CB-CG2 3.89Å; L592-V597 HydrophobicContact CD2-CB 4Å; L592-V597 HydrophobicContact CD2-CG2 3.9Å; L592-V597 HydrophobicContact CG-CB 4.49Å; L592-V597 HydrophobicContact CG-CG2 4.13Å; V597-I599 HydrophobicContact CG1-CG1 4.41Å
598L89.2Confident81.9Confident0 Ų031.8 Ų31.80%017%0.171CC..EExtended strand (participates in β ladder)trans-96.1129.3168.7179.968000109.9I529 K532 L533 L547 I569 T570 Q600I529-L598 HydrophobicContact CD1-CB 4.47Å; I529-L598 HydrophobicContact CG2-CB 3.89Å; I529-L598 HydrophobicContact CG2-CD2 3.89Å; I529-L598 HydrophobicContact CG2-CG 4.31Å; K532-L598 HydrophobicContact CD-CD2 4.33Å; L533-L598 HydrophobicContact CD2-CD1 4.26Å; L547-L598 HydrophobicContact CB-CD1 4.03Å; L547-L598 HydrophobicContact CD1-CB 4.07Å; L547-L598 HydrophobicContact CD1-CD1 4.43Å; I569-L598 WeakPolarHBondContact CA-O 3.38Å; T570-L598 PolarHBondContact N-O 3.3Å; T570-L598 PolarHBondContact O-N 2.73Å; L598-Q600 HydrophobicContact CD1-CG 4.42Å; L598-Q600 HydrophobicContact CD2-CG 3.91Å; L598-Q600 HydrophobicContact CG-CG 3.84Å
599I90Very high81.6Confident0 Ų033.7 Ų33.70%018%0.181CC..EExtended strand (participates in β ladder)trans-113.5128.4176.4-53164.9000108.3S545 L546 L548 L554 F561 L567 L588 V597S545-I599 CarbonylContact C-O 3.58Å; S545-I599 VanDerWaalsContact CA-O 3.27Å; S545-I599 WeakPolarHBondContact CA-O 3.08Å; L546-I599 HydrophobicContact CB-CB 4.49Å; L546-I599 HydrophobicContact CD2-CD1 4.4Å; L546-I599 PolarHBondContact N-O 3.38Å; L546-I599 PolarHBondContact O-N 2.83Å; L548-I599 HydrophobicContact CD1-CD1 3.87Å; L554-I599 HydrophobicContact CD1-CD1 4.29Å; F561-I599 HydrophobicContact CD2-CG2 4.29Å; F561-I599 HydrophobicContact CE1-CG2 4.09Å; F561-I599 HydrophobicContact CE2-CB 4.26Å; F561-I599 HydrophobicContact CE2-CG2 3.83Å; F561-I599 HydrophobicContact CZ-CB 4.08Å; F561-I599 HydrophobicContact CZ-CG2 3.72Å; L567-I599 HydrophobicContact CB-CG2 4.43Å; L567-I599 HydrophobicContact CD1-CG2 4.08Å; L588-I599 HydrophobicContact CD1-CD1 3.5Å; L588-I599 HydrophobicContact CD1-CG1 4.18Å; L588-I599 HydrophobicContact CD2-CD1 3.83Å; L588-I599 HydrophobicContact CD2-CG1 3.76Å; L588-I599 HydrophobicContact CG-CD1 4.31Å; V597-I599 HydrophobicContact CG1-CG1 4.41Å
600Q88.6Confident81.4Confident1 Ų133.1 Ų33.11%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-131.3144.2178.5-42-172.5-98.400111.5Y536 P543 P544 S545 L567 L568 L598 H602Y536-Q600 VanDerWaalsContact CE2-NE2 3.33Å; Y536-Q600 PolarHBondContact OH-NE2 3Å; P543-Q600 HydrophobicContact CG-CB 4.49Å; P544-Q600 WeakPolarHBondContact O-CA 3.08Å; S545-Q600 PolarHBondContact OG-NE2 3.39Å; L567-Q600 CarbonylContact C-O 3.57Å; L567-Q600 WeakPolarHBondContact CA-O 3.4Å; L568-Q600 HydrophobicContact CB-CB 4.23Å; L568-Q600 PolarHBondContact N-O 3.19Å; L568-Q600 PolarHBondContact O-N 3.06Å; L598-Q600 HydrophobicContact CD1-CG 4.42Å; L598-Q600 HydrophobicContact CD2-CG 3.91Å; L598-Q600 HydrophobicContact CG-CG 3.84Å; Q600-H602 PolarHBondContact O-N 3.49Å
601G85Confident81.2Confident0 Ų029.4 Ų29.40%016%0.159CC..EExtended strand (participates in β ladder)trans-69.7121.4171.100000110.5P544P544-G601 PolarHBondContact O-N 3.04Å
602H82.2Confident81.3Confident6 Ų631.3 Ų31.33%0.02817%0.165CC..EExtended strand (participates in β ladder)trans-103.6-60.4-178.3-17442.5000112R566 L568 Q600 L656 S658R566-H602 PolarHBondContact O-N 3.23Å; L568-H602 HydrophobicContact CB-CB 4.24Å; Q600-H602 PolarHBondContact O-N 3.49Å; H602-L656 VanDerWaalsContact ND1-CD1 3.34Å; H602-L656 WeakPolarHBondContact ND1-CD1 3.38Å; H602-S658 WeakPolarHBondContact O-CA 3.47Å; H602-S658 WeakPolarHBondContact O-CB 3.39Å; H602-S658 PolarHBondContact O-OG 3.33Å
603G80.6Confident81.2Confident1 Ų131.9 Ų31.91%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-135.3132.7-177.900000112.8D565 R566 G606D565-G603 PolarHBondContact N-O 3.4Å; R566-G603 PolarHBondContact N-O 2.97Å; R566-G603 PolarHBondContact O-N 2.84Å; G603-G606 WeakPolarHBondContact CA-O 3.24Å
604M72.1Confident81.2Confident44 Ų4428.7 Ų28.722%0.21715%0.148CC..SBendtrans-82.5-29.3178.1-64.4-174.778.900112.9A563 Y564 S658 N659A563-M604 HydrophobicContact CB-CE 3.61Å; Y564-M604 HydrophobicContact CD1-CG 3.77Å; Y564-M604 HydrophobicContact CE1-CG 3.68Å; Y564-M604 HydrophobicContact CG-CG 4.34Å; M604-S658 PolarHBondContact N-O 2.88Å; M604-N659 PolarHBondContact SD-OD1 2.69Å
605H61.2Low81.2Confident123 Ų12322.3 Ų22.357%0.56912%0.119SC*.SBendtrans-140.462.3-179.1-61.787.8000110.8
606G67.1Low81Confident25 Ų2521.2 Ų21.226%0.25811%0.111SC..SBendtrans108.4-145.4-174.900000113.6G603G603-G606 WeakPolarHBondContact CA-O 3.24Å
607H67.8Low80.7Confident71 Ų7121.6 Ų21.633%0.32911%0.113SC..SBendtrans-77.9135.4176.6-70.1-92.5000110.3
608G73.1Confident80.1Confident2 Ų223.9 Ų23.92%0.02113%0.125CC..PPolyproline II helixtrans-73140.3171.500000109.5N657G608-N657 CarbonylContact C-O 3.5Å; G608-N657 WeakPolarHBondContact CA-O 3.15Å
609E81.1Confident78.9Confident41 Ų4130.7 Ų30.719%0.19216%0.157CC..EExtended strand (participates in β ladder)trans-78.5132.6178.7-176.4179.7-166.200109.4Y628 L656 N657 W714E609-Y628 PolarHBondContact OE1-OH 3.12Å; E609-L656 WeakPolarHBondContact O-CA 3.35Å; E609-N657 HydrophobicContact CB-CB 4.39Å; E609-N657 PolarHBondContact N-O 3.07Å; E609-N657 PolarHBondContact O-N 3Å; E609-W714 HydrophobicContact CB-CH2 4.42Å; E609-W714 HydrophobicContact CG-CH2 3.94Å
610T83.3Confident77.5Confident23 Ų2338.6 Ų38.614%0.14119%0.194CC..EExtended strand (participates in β ladder)trans-121.713218054.90000112.1T654 M655 L656T610-T654 HydrophobicContact CG2-CG2 4.34Å; T610-M655 CarbonylContact C-O 3.59Å; T610-M655 VanDerWaalsContact CA-O 3.26Å; T610-M655 WeakPolarHBondContact CA-O 3.44Å; T610-L656 HydrophobicContact CG2-CD1 3.79Å
611V84.1Confident76.4Confident27 Ų2741.2 Ų41.216%0.16421%0.208CC..EExtended strand (participates in β ladder)trans-122.6133.9178.6176.90000110.1I613 Y628 M631 T654 M655 W714V611-I613 HydrophobicContact CG1-CG1 4.5Å; V611-Y628 HydrophobicContact CG2-CE2 4.22Å; V611-M631 HydrophobicContact CB-SD 4.15Å; V611-M631 HydrophobicContact CG1-SD 3.92Å; V611-T654 WeakPolarHBondContact O-CA 3.49Å; V611-M655 PolarHBondContact N-O 2.92Å; V611-M655 PolarHBondContact O-N 2.81Å; V611-W714 HydrophobicContact CB-CH2 4.39Å; V611-W714 HydrophobicContact CB-CZ3 4.1Å; V611-W714 HydrophobicContact CG2-CH2 3.53Å; V611-W714 HydrophobicContact CG2-CZ3 3.7Å
612H85.9Confident75.3Confident60 Ų6043.1 Ų43.128%0.27822%0.218SC..EExtended strand (participates in β ladder)trans-99.2124.1177.5-55.7-62.8000111.6Y652 V653 T654 F726 L730H612-Y652 HydrophobicContact CB-CD2 4.31Å; H612-Y652 AromaticContact ND1-CD2 3.81Å; H612-Y652 AromaticContact ND1-CE2 3.86Å; H612-V653 CarbonylContact C-O 3.6Å; H612-V653 WeakPolarHBondContact CA-O 3.11Å; H612-T654 PolarHBondContact CE1-OG1 3.29Å; H612-T654 PolarHBondContact ND1-OG1 3.22Å; H612-F726 AromaticContact CD2-CE2 3.74Å; H612-F726 AromaticContact NE2-CE2 3.6Å; H612-F726 AromaticContact NE2-CZ 3.91Å; H612-L730 HydrophobicContact CB-CD1 4.06Å; H612-L730 HydrophobicContact CB-CD2 3.79Å
613I83.8Confident74Confident12 Ų1250.7 Ų50.76%0.06225%0.25CS..EExtended strand (participates in β ladder)trans-112.9118-178.2-53.8166.8000109.1V611 F617 M631 L637 Y652 V653 M655V611-I613 HydrophobicContact CG1-CG1 4.5Å; I613-F617 HydrophobicContact CG2-CE1 3.9Å; I613-M631 HydrophobicContact CD1-CB 3.34Å; I613-M631 HydrophobicContact CD1-CE 4.27Å; I613-M631 HydrophobicContact CD1-CG 4.22Å; I613-M631 HydrophobicContact CD1-SD 3.91Å; I613-M631 HydrophobicContact CG1-CB 4.19Å; I613-M631 HydrophobicContact CG1-SD 4.37Å; I613-L637 HydrophobicContact CD1-CD1 3.65Å; I613-Y652 CarbonylContact O-C 3.55Å; I613-Y652 VanDerWaalsContact O-CA 3.24Å; I613-Y652 WeakPolarHBondContact O-CA 3.45Å; I613-V653 PolarHBondContact N-O 2.89Å; I613-V653 PolarHBondContact O-N 3.11Å; I613-M655 HydrophobicContact CD1-CG 3.48Å; I613-M655 VanDerWaalsContact CD1-CG 3.48Å; I613-M655 HydrophobicContact CG1-CG 4.4Å
614P86.2Confident73Confident9 Ų952.1 Ų52.16%0.05827%0.266CS..EExtended strand (participates in β ladder)trans-79.6140.3179.331.5-33.5000111.9G651 L730 R733 V734 K737P614-G651 WeakPolarHBondContact CA-O 3.12Å; P614-L730 HydrophobicContact CB-CD1 3.95Å; P614-L730 HydrophobicContact CG-CD1 4.21Å; P614-R733 HydrophobicContact CB-CB 4.25Å; P614-R733 HydrophobicContact CG-CB 3.82Å; P614-V734 HydrophobicContact CB-CG2 3.65Å; P614-K737 HydrophobicContact CB-CD 4.18Å; P614-K737 HydrophobicContact CG-CD 4.32Å; P614-K737 PolarHBondContact O-NZ 3.32Å
615F84.6Confident72.2Confident0 Ų058.4 Ų58.40%030%0.295CS..EExtended strand (participates in β ladder)trans-120.8154.4171.564.5-92.6000110.9F617 L646 Q649 G651 V653 L719 F721F615-F617 HydrophobicContact CB-CD1 4.49Å; F615-F617 HydrophobicContact CB-CE1 4.2Å; F615-F617 HydrophobicContact CB-CZ 4.31Å; F615-L646 HydrophobicContact CB-CB 4.36Å; F615-L646 HydrophobicContact CD1-CD2 4.37Å; F615-L646 HydrophobicContact CD2-CB 4.08Å; F615-L646 HydrophobicContact CD2-CD2 3.86Å; F615-L646 HydrophobicContact CE1-CD2 4.32Å; F615-L646 HydrophobicContact CE2-CD2 3.81Å; F615-L646 HydrophobicContact CG-CB 4.35Å; F615-L646 HydrophobicContact CG-CD2 4.15Å; F615-L646 HydrophobicContact CZ-CD2 4.06Å; F615-Q649 WeakPolarHBondContact CD2-O 3.35Å; F615-Q649 HydrophobicContact CE2-CB 4.02Å; F615-G651 VanDerWaalsContact CD1-C 3.43Å; F615-G651 WeakPolarHBondContact CD1-O 3.41Å; F615-G651 VanDerWaalsContact CZ-CA 3.42Å; F615-G651 PolarHBondContact N-O 2.83Å; F615-G651 PolarHBondContact O-N 3.1Å; F615-V653 HydrophobicContact CD1-CG2 4.19Å; F615-V653 HydrophobicContact CE1-CG2 4.44Å; F615-L719 HydrophobicContact CD1-CD1 4.09Å; F615-L719 HydrophobicContact CE1-CD1 3.32Å; F615-L719 HydrophobicContact CZ-CD1 3.78Å; F615-F721 AromaticContact CE2-CD1 3.94Å; F615-F721 HydrophobicContact CE2-CD1 3.94Å; F615-F721 AromaticContact CE2-CE1 3.99Å; F615-F721 HydrophobicContact CE2-CE1 3.99Å; F615-F721 AromaticContact CZ-CD1 3.6Å; F615-F721 HydrophobicContact CZ-CD1 3.6Å; F615-F721 AromaticContact CZ-CE1 3.71Å; F615-F721 HydrophobicContact CZ-CE1 3.71Å
616P80.9Confident72.3Confident0 Ų054.9 Ų54.90%028%0.278CS..SBendcis-65.6157.410.4-23.232.8000117.1L646 E647 Q649 K737 H741 L743P616-L646 VanDerWaalsContact CA-O 3.31Å; P616-L646 WeakPolarHBondContact CA-O 3.3Å; P616-L646 WeakPolarHBondContact CB-O 3.47Å; P616-E647 WeakPolarHBondContact CG-O 3.36Å; P616-Q649 WeakPolarHBondContact CD-O 3.35Å; P616-Q649 WeakPolarHBondContact CG-O 3.31Å; P616-K737 WeakPolarHBondContact O-CD 3.04Å; P616-K737 WeakPolarHBondContact O-CE 2.99Å; P616-K737 PolarHBondContact O-NZ 3.46Å; P616-H741 HydrophobicContact CG-CB 4.38Å; P616-L743 HydrophobicContact CG-CD1 3.72Å; P616-L743 HydrophobicContact CG-CD2 4Å; P616-L743 HydrophobicContact CG-CG 4.32Å
617F80.1Confident72Confident9 Ų956.2 Ų56.24%0.03928%0.283CS..PPolyproline II helixtrans-87.5133.1177.5-56.4-55.7000111.2I613 F615 L622 C632 L637 K641 L646I613-F617 HydrophobicContact CG2-CE1 3.9Å; F615-F617 HydrophobicContact CB-CD1 4.49Å; F615-F617 HydrophobicContact CB-CE1 4.2Å; F615-F617 HydrophobicContact CB-CZ 4.31Å; F617-L622 HydrophobicContact CB-CD1 4.16Å; F617-L622 HydrophobicContact CB-CD2 4.11Å; F617-L622 HydrophobicContact CB-CG 4.08Å; F617-C632 HydrophobicContact CD1-CB 3.86Å; F617-C632 VanDerWaalsContact CD1-SG 3.57Å; F617-C632 HydrophobicContact CE1-CB 4.24Å; F617-C632 HydrophobicContact CG-CB 4.36Å; F617-L637 HydrophobicContact CE2-CB 4.36Å; F617-L637 HydrophobicContact CZ-CB 4.18Å; F617-L637 HydrophobicContact CZ-CD1 4.2Å; F617-K641 HydrophobicContact CD2-CD 4.32Å; F617-K641 HydrophobicContact CD2-CG 4.5Å; F617-L646 HydrophobicContact CE2-CD1 3.7Å; F617-L646 HydrophobicContact CZ-CD1 4.11Å
618D74.3Confident71.6Confident48 Ų4858.4 Ų58.426%0.25729%0.289SS..PPolyproline II helixtrans-73.5146.2177-62.7-45.7000110.5E620 D621 L622 H741D618-E620 PolarHBondContact O-N 3.35Å; D618-D621 HydrophobicContact CB-CB 4.48Å; D618-D621 PolarHBondContact O-N 3.15Å; D618-L622 PolarHBondContact O-N 3.17Å; D618-H741 IonicContact OD1-CD2 2.93Å; D618-H741 IonicContact OD1-CE1 3.48Å; D618-H741 IonicContact OD1-NE2 3.59Å; D618-H741 PolarHBondContact OD1-NE2 2.8Å
619E65Low70.8Confident142 Ų14264 Ų6466%0.66433%0.328SS*.THydrogen-bonded Turntrans-62-25.8-180-70.5-162.9175.300113.1K623E619-K623 WeakPolarHBondContact O-CD 3.5Å; E619-K623 WeakPolarHBondContact O-CG 3.27Å; E619-K623 IonicContact OE2-NZ 3.94Å
620E61.4Low69.9Low166 Ų16663 Ų6378%0.77632%0.324SS*.THydrogen-bonded Turntrans-73.5-41.7176.5-59.6-166.5155.300111.4D618 L622 K623 G624D618-E620 PolarHBondContact O-N 3.35Å; E620-L622 VanDerWaalsContact C-N 3.28Å; E620-L622 PolarHBondContact O-N 2.99Å; E620-K623 PolarHBondContact O-N 2.94Å; E620-G624 PolarHBondContact O-N 2.93Å
621D65.6Low69.2Low56 Ų5662.3 Ų62.330%0.29932%0.319SS..G310 helixtrans-63.4-35.6176.9-68.9-18.9000111.5D618 K623 G624 N630 C632D618-D621 HydrophobicContact CB-CB 4.48Å; D618-D621 PolarHBondContact O-N 3.15Å; D621-K623 VanDerWaalsContact C-N 3.28Å; D621-K623 PolarHBondContact O-N 3.3Å; D621-G624 PolarHBondContact O-N 3.29Å; D621-N630 PolarHBondContact O-ND2 3.23Å; D621-N630 PolarHBondContact O-OD1 3.49Å; D621-C632 HydrophobicContact CB-CB 4.3Å
622L60.6Low68.1Low41 Ų4161.5 Ų61.522%0.21531%0.314CS..G310 helixtrans-71-20.2179.4-69.3168.8000113.7F617 D618 E620F617-L622 HydrophobicContact CB-CD1 4.16Å; F617-L622 HydrophobicContact CB-CD2 4.11Å; F617-L622 HydrophobicContact CB-CG 4.08Å; D618-L622 PolarHBondContact O-N 3.17Å; E620-L622 VanDerWaalsContact C-N 3.28Å; E620-L622 PolarHBondContact O-N 2.99Å
623K55.7Low67.2Low164 Ų16459.3 Ų59.371%0.71331%0.305SS*.G310 helixtrans-93.1-12-179.7-70.7170.2-171.9161.10113.5E619 E620 D621E619-K623 WeakPolarHBondContact O-CD 3.5Å; E619-K623 WeakPolarHBondContact O-CG 3.27Å; E619-K623 IonicContact OE2-NZ 3.94Å; E620-K623 PolarHBondContact O-N 2.94Å; D621-K623 VanDerWaalsContact C-N 3.28Å; D621-K623 PolarHBondContact O-N 3.3Å
624G60.1Low66.9Low32 Ų3258.8 Ų58.833%0.3330%0.303SS..SBendtrans-76.2171.4178.900000114.4E620 D621 V633E620-G624 PolarHBondContact O-N 2.93Å; D621-G624 PolarHBondContact O-N 3.29Å; G624-V633 WeakPolarHBondContact O-CG2 3.1Å
625E55.1Low66.5Low176 Ų17663.2 Ų63.282%0.82232%0.321SS*.PPolyproline II helixtrans-81.1152.5172.1-66.5-176.2173.200111.4S627E625-S627 PolarHBondContact O-N 2.85Å
626F62.2Low66.2Low49 Ų4963.2 Ų63.222%0.21532%0.321CS..PPolyproline II helixtrans-62.6123176.1176.2-97.7000110.1H634 E711F626-H634 HydrophobicContact CE2-CB 4.38Å; F626-E711 HydrophobicContact CD1-CB 4.27Å; F626-E711 HydrophobicContact CD2-CG 4.23Å; F626-E711 HydrophobicContact CE1-CB 4.08Å; F626-E711 HydrophobicContact CE2-CG 4.12Å; F626-E711 HydrophobicContact CG-CG 4.48Å; F626-E711 HydrophobicContact CZ-CB 4.23Å; F626-E711 HydrophobicContact CZ-CG 4.27Å
627S61.7Low66.1Low52 Ų5263.2 Ų63.236%0.36432%0.321SS..BIsolated β-bridgetrans-147.2165.317562.30000109.8E625 S629 N630 M631E625-S627 PolarHBondContact O-N 2.85Å; S627-S629 PolarHBondContact O-N 3.44Å; S627-S629 VanDerWaalsContact O-N 3.12Å; S627-N630 PolarHBondContact N-O 3.42Å; S627-N630 CarbonylContact O-C 3.54Å; S627-N630 PolarHBondContact O-N 3.31Å; S627-N630 PolarHBondContact OG-N 2.82Å; S627-N630 VanDerWaalsContact OG-N 3.13Å; S627-M631 PolarHBondContact O-N 2.88Å
628Y58.5Low66.2Low117 Ų11768.8 Ų68.846%0.45934%0.342SS..THydrogen-bonded Turntrans-53.3-32.4174-174.8-96000112.2E609 V611 W714E609-Y628 PolarHBondContact OE1-OH 3.12Å; V611-Y628 HydrophobicContact CG2-CE2 4.22Å; Y628-W714 HydrophobicContact CD2-CZ2 4.05Å; Y628-W714 HydrophobicContact CE2-CH2 4.09Å; Y628-W714 AromaticContact CE2-CZ2 3.81Å; Y628-W714 HydrophobicContact CE2-CZ2 3.81Å
629S56.8Low66.6Low119 Ų11970.9 Ų70.983%0.83235%0.349SS*.THydrogen-bonded Turntrans-84.6-21176.9-56.30000114.1S627S627-S629 PolarHBondContact O-N 3.44Å; S627-S629 VanDerWaalsContact O-N 3.12Å
630N61.7Low67.4Low22 Ų2264.1 Ų64.112%0.11832%0.317CS..BIsolated β-bridgetrans-127.673179.9-170.89.8000111.3D621 S627 C632D621-N630 PolarHBondContact O-ND2 3.23Å; D621-N630 PolarHBondContact O-OD1 3.49Å; S627-N630 PolarHBondContact N-O 3.42Å; S627-N630 CarbonylContact O-C 3.54Å; S627-N630 PolarHBondContact O-N 3.31Å; S627-N630 PolarHBondContact OG-N 2.82Å; S627-N630 VanDerWaalsContact OG-N 3.13Å; N630-C632 VanDerWaalsContact C-N 3.28Å; N630-C632 WeakPolarHBondContact OD1-CB 3.11Å
631M68.9Low68.4Low7 Ų758.5 Ų58.53%0.03429%0.29CS..G310 helixtrans-78.3-11.7175.2-67-175.877.800112.9V611 I613 S627 V633 H634 L637 M655 W714V611-M631 HydrophobicContact CB-SD 4.15Å; V611-M631 HydrophobicContact CG1-SD 3.92Å; I613-M631 HydrophobicContact CD1-CB 3.34Å; I613-M631 HydrophobicContact CD1-CE 4.27Å; I613-M631 HydrophobicContact CD1-CG 4.22Å; I613-M631 HydrophobicContact CD1-SD 3.91Å; I613-M631 HydrophobicContact CG1-CB 4.19Å; I613-M631 HydrophobicContact CG1-SD 4.37Å; S627-M631 PolarHBondContact O-N 2.88Å; M631-V633 PolarHBondContact O-N 3.22Å; M631-H634 WeakPolarHBondContact O-CB 3.47Å; M631-H634 PolarHBondContact O-N 3.36Å; M631-L637 VanDerWaalsContact O-CD1 3.24Å; M631-L637 WeakPolarHBondContact O-CD1 3.43Å; M631-M655 HydrophobicContact CE-CB 3.61Å; M631-M655 HydrophobicContact CE-CE 4.03Å; M631-M655 HydrophobicContact CE-CG 3.64Å; M631-W714 HydrophobicContact CE-CB 3.76Å; M631-W714 HydrophobicContact CE-CD2 3.47Å; M631-W714 VanDerWaalsContact CE-CD2 3.47Å; M631-W714 HydrophobicContact CE-CE3 3.59Å; M631-W714 HydrophobicContact CE-CG 3.57Å; M631-W714 HydrophobicContact CE-CZ3 4.36Å
632C61.7Low69.2Low10 Ų1063 Ų637%0.06831%0.309CS..G310 helixtrans-56.4-22.2-178.1-57.90000113.4F617 D621 N630 H634F617-C632 HydrophobicContact CD1-CB 3.86Å; F617-C632 VanDerWaalsContact CD1-SG 3.57Å; F617-C632 HydrophobicContact CE1-CB 4.24Å; F617-C632 HydrophobicContact CG-CB 4.36Å; D621-C632 HydrophobicContact CB-CB 4.3Å; N630-C632 VanDerWaalsContact C-N 3.28Å; N630-C632 WeakPolarHBondContact OD1-CB 3.11Å; C632-H634 VanDerWaalsContact C-N 3.33Å
633V67Low70.1Confident15 Ų1564.7 Ų64.79%0.09132%0.316CS..G310 helixtrans-78.8-15.6-178.8-169.70000112.4G624 M631 R638G624-V633 WeakPolarHBondContact O-CG2 3.1Å; M631-V633 PolarHBondContact O-N 3.22Å; V633-R638 PolarHBondContact O-NE 3.02Å
634H76.3Confident71.1Confident0 Ų057 Ų570%028%0.283CS..  trans-56.4137.4-173.6-172.3-92.9000113.1Q541 F626 M631 C632 A636 L637 R638 E711 W714Q541-H634 PolarHBondContact OE1-CE1 3.37Å; F626-H634 HydrophobicContact CE2-CB 4.38Å; M631-H634 WeakPolarHBondContact O-CB 3.47Å; M631-H634 PolarHBondContact O-N 3.36Å; C632-H634 VanDerWaalsContact C-N 3.33Å; H634-A636 VanDerWaalsContact C-N 3.29Å; H634-A636 WeakPolarHBondContact ND1-CB 3.21Å; H634-A636 PolarHBondContact ND1-N 2.77Å; H634-A636 VanDerWaalsContact ND1-N 3.19Å; H634-A636 PolarHBondContact O-N 3.44Å; H634-L637 HydrophobicContact CB-CD1 4.31Å; H634-L637 HydrophobicContact CB-CG 4.19Å; H634-L637 PolarHBondContact O-N 3.13Å; H634-R638 PolarHBondContact O-N 3.14Å; H634-R638 VanDerWaalsContact O-N 3.11Å; H634-E711 WeakPolarHBondContact CA-OE1 3.34Å; H634-E711 WeakPolarHBondContact CD2-CG 3.29Å; H634-E711 IonicContact CD2-OE1 2.65Å; H634-E711 PolarHBondContact NE2-O 2.7Å; H634-W714 PolarHBondContact CE1-O 3.07Å; H634-W714 PolarHBondContact NE2-O 2.99Å; H634-W714 VanDerWaalsContact NE2-O 3.12Å
635K78.6Confident72Confident103 Ų10357.1 Ų57.145%0.44828%0.276SS..Hα-helixtrans-51.1-42.3-177.7-72.9163.7-163.61480113.8K639 E711K635-K639 PolarHBondContact O-N 3.25Å; K635-E711 VanDerWaalsContact CE-OE2 3.23Å; K635-E711 WeakPolarHBondContact CE-OE2 3.17Å; K635-E711 WeakPolarHBondContact CG-OE1 3.42Å; K635-E711 PolarHBondContact N-OE1 3.04Å; K635-E711 IonicContact NZ-OE2 2.98Å; K635-E711 PolarHBondContact NZ-OE2 3.1Å
636A77.5Confident73.2Confident0 Ų048.8 Ų48.80%024%0.237CC..Hα-helixtrans-62.1-43.7176.400000112.2T539 Q541 H634 R638 K639 L640 P716T539-A636 HydrophobicContact CG2-CB 3.96Å; Q541-A636 HydrophobicContact CB-CB 4.4Å; H634-A636 VanDerWaalsContact C-N 3.29Å; H634-A636 WeakPolarHBondContact ND1-CB 3.21Å; H634-A636 PolarHBondContact ND1-N 2.77Å; H634-A636 VanDerWaalsContact ND1-N 3.19Å; H634-A636 PolarHBondContact O-N 3.44Å; A636-R638 PolarHBondContact O-N 3.42Å; A636-K639 PolarHBondContact O-N 3.07Å; A636-L640 VanDerWaalsContact O-CG 3.3Å; A636-L640 WeakPolarHBondContact O-CG 3.48Å; A636-L640 PolarHBondContact O-N 3.32Å; A636-P716 HydrophobicContact CB-CG 4.01Å
637L79.5Confident74Confident0 Ų050.7 Ų50.70%025%0.246CC..Hα-helixtrans-68.8-35.1-176.8-61.4-175.2000111.9I613 F617 M631 H634 L640 K641 V653 M655I613-L637 HydrophobicContact CD1-CD1 3.65Å; F617-L637 HydrophobicContact CE2-CB 4.36Å; F617-L637 HydrophobicContact CZ-CB 4.18Å; F617-L637 HydrophobicContact CZ-CD1 4.2Å; M631-L637 VanDerWaalsContact O-CD1 3.24Å; M631-L637 WeakPolarHBondContact O-CD1 3.43Å; H634-L637 HydrophobicContact CB-CD1 4.31Å; H634-L637 HydrophobicContact CB-CG 4.19Å; H634-L637 PolarHBondContact O-N 3.13Å; L637-L640 HydrophobicContact CD2-CD1 4.2Å; L637-L640 PolarHBondContact O-N 3.3Å; L637-K641 WeakPolarHBondContact O-CB 3.33Å; L637-K641 PolarHBondContact O-N 2.99Å; L637-V653 HydrophobicContact CD2-CB 4.21Å; L637-V653 HydrophobicContact CD2-CG1 3.77Å; L637-V653 HydrophobicContact CD2-CG2 4.07Å; L637-M655 HydrophobicContact CD2-SD 4.09Å
638R81.9Confident74.8Confident126 Ų12650 Ų5048%0.47524%0.237SC..Hα-helixtrans-62.5-45.4172.1-67.1-175.1-172.9-177.8-1.7112.1V633 H634 A636 L640 K641 E642V633-R638 PolarHBondContact O-NE 3.02Å; H634-R638 PolarHBondContact O-N 3.14Å; H634-R638 VanDerWaalsContact O-N 3.11Å; A636-R638 PolarHBondContact O-N 3.42Å; R638-L640 VanDerWaalsContact C-N 3.31Å; R638-L640 PolarHBondContact O-N 3.24Å; R638-K641 WeakPolarHBondContact O-CB 3.48Å; R638-K641 PolarHBondContact O-N 2.91Å; R638-E642 PolarHBondContact O-N 3.43Å
639K81.9Confident76Confident92 Ų9244.9 Ų44.940%0.422%0.218SC..Hα-helixtrans-61.7-40.5174.9-72.7-176.3-178.6-178.70111.8T539 K635 A636 E642 H643T539-K639 PolarHBondContact O-NZ 3.35Å; K635-K639 PolarHBondContact O-N 3.25Å; A636-K639 PolarHBondContact O-N 3.07Å; K639-E642 PolarHBondContact O-N 2.96Å; K639-H643 WeakPolarHBondContact O-CB 3.18Å; K639-H643 PolarHBondContact O-N 2.74Å; K639-H643 PolarHBondContact O-ND1 3.36Å
640L82.6Confident77.4Confident0 Ų039.3 Ų39.30%018%0.179CC..Hα-helixtrans-64.5-42.1176.4-69.9176.2000112L535 T539 A636 L637 R638 E642 H643 V644 L646L535-L640 HydrophobicContact CD1-CD1 3.76Å; L535-L640 HydrophobicContact CD1-CD2 3.24Å; L535-L640 HydrophobicContact CD1-CG 4.13Å; L535-L640 HydrophobicContact CG-CD1 4.33Å; L535-L640 HydrophobicContact CG-CD2 4.05Å; T539-L640 HydrophobicContact CG2-CD1 3.99Å; T539-L640 HydrophobicContact CG2-CD2 3.51Å; T539-L640 HydrophobicContact CG2-CG 3.54Å; A636-L640 VanDerWaalsContact O-CG 3.3Å; A636-L640 WeakPolarHBondContact O-CG 3.48Å; A636-L640 PolarHBondContact O-N 3.32Å; L637-L640 HydrophobicContact CD2-CD1 4.2Å; L637-L640 PolarHBondContact O-N 3.3Å; R638-L640 VanDerWaalsContact C-N 3.31Å; R638-L640 PolarHBondContact O-N 3.24Å; L640-E642 VanDerWaalsContact C-N 3.26Å; L640-E642 PolarHBondContact O-N 3.37Å; L640-H643 PolarHBondContact O-N 3.05Å; L640-V644 HydrophobicContact CD2-CG2 4.06Å; L640-V644 WeakPolarHBondContact O-CA 3.42Å; L640-V644 WeakPolarHBondContact O-CB 3.45Å; L640-V644 PolarHBondContact O-N 3.4Å; L640-L646 HydrophobicContact CB-CD1 4.01Å
641K82.7Confident78.7Confident47 Ų4738.3 Ų38.320%0.20417%0.173CC..Iπ-helixtrans-52.6-45.7174.7-168.1-173.1-179.3-162.30111.2F617 L637 R638 D645 E647F617-K641 HydrophobicContact CD2-CD 4.32Å; F617-K641 HydrophobicContact CD2-CG 4.5Å; L637-K641 WeakPolarHBondContact O-CB 3.33Å; L637-K641 PolarHBondContact O-N 2.99Å; R638-K641 WeakPolarHBondContact O-CB 3.48Å; R638-K641 PolarHBondContact O-N 2.91Å; K641-D645 WeakPolarHBondContact O-CA 3.44Å; K641-D645 PolarHBondContact O-N 2.74Å; K641-D645 VanDerWaalsContact O-N 3.13Å; K641-E647 WeakPolarHBondContact CE-OE1 3.47Å; K641-E647 HydrophobicContact CG-CG 4.45Å; K641-E647 IonicContact NZ-OE1 3.62Å; K641-E647 PolarHBondContact NZ-OE1 3.29Å
642E81.9Confident79.6Confident151 Ų15138.3 Ų38.371%0.70617%0.173SC*.Iπ-helixtrans-74.3-38.3179.7-67.1174.6-179.300114R638 K639 L640R638-E642 PolarHBondContact O-N 3.43Å; K639-E642 PolarHBondContact O-N 2.96Å; L640-E642 VanDerWaalsContact C-N 3.26Å; L640-E642 PolarHBondContact O-N 3.37Å
643H79Confident80.9Confident77 Ų7737.8 Ų37.836%0.35617%0.169SC..Iπ-helixtrans-87.7-32.3-171-74.672.9000114V538 K639 L640 K762V538-H643 HydrophobicContact CG1-CB 3.57Å; V538-H643 VanDerWaalsContact CG1-CG 3.46Å; K639-H643 WeakPolarHBondContact O-CB 3.18Å; K639-H643 PolarHBondContact O-N 2.74Å; K639-H643 PolarHBondContact O-ND1 3.36Å; L640-H643 PolarHBondContact O-N 3.05Å; H643-K762 PolarHBondContact O-NZ 2.92Å
644V76.6Confident81.9Confident2 Ų237.5 Ų37.51%0.01217%0.168CC..Iπ-helixtrans-108.4-15-174.4-172.40000111.8L640 L646 L719 F721 L759L640-V644 HydrophobicContact CD2-CG2 4.06Å; L640-V644 WeakPolarHBondContact O-CA 3.42Å; L640-V644 WeakPolarHBondContact O-CB 3.45Å; L640-V644 PolarHBondContact O-N 3.4Å; V644-L646 HydrophobicContact CG1-CD2 4.32Å; V644-L719 HydrophobicContact CG1-CD2 3.86Å; V644-F721 HydrophobicContact CG1-CE1 4.37Å; V644-F721 HydrophobicContact CG1-CZ 3.7Å; V644-L759 HydrophobicContact CB-CD1 4.4Å; V644-L759 HydrophobicContact CG1-CD1 3.95Å; V644-L759 HydrophobicContact CG1-CD2 3.77Å; V644-L759 HydrophobicContact CG2-CD1 4.26Å
645D79.1Confident82.4Confident34 Ų3437.5 Ų37.518%0.18217%0.168CC..Iπ-helixtrans58.177.1-179176.625.8000112.7K641 E647 H648 S755K641-D645 WeakPolarHBondContact O-CA 3.44Å; K641-D645 PolarHBondContact O-N 2.74Å; K641-D645 VanDerWaalsContact O-N 3.13Å; D645-E647 PolarHBondContact O-N 3.02Å; D645-E647 PolarHBondContact OD1-N 2.86Å; D645-H648 IonicContact OD1-CE1 2.83Å; D645-H648 IonicContact OD1-ND1 2.78Å; D645-H648 PolarHBondContact OD1-ND1 3.26Å; D645-H648 IonicContact OD2-CG 3.55Å; D645-H648 IonicContact OD2-ND1 3.23Å; D645-H648 PolarHBondContact OD2-ND1 2.99Å; D645-H648 VanDerWaalsContact OD2-ND1 3.1Å; D645-S755 WeakPolarHBondContact CB-OG 3.43Å; D645-S755 WeakPolarHBondContact OD2-CB 3.45Å; D645-S755 PolarHBondContact OD2-OG 3.33Å
646L80.8Confident82.7Confident1 Ų132.6 Ų32.61%0.00515%0.146CC..  trans-82.55.9178.4-57.9176.7000112.9F615 P616 F617 L640 V644 L719 F721F615-L646 HydrophobicContact CB-CB 4.36Å; F615-L646 HydrophobicContact CD1-CD2 4.37Å; F615-L646 HydrophobicContact CD2-CB 4.08Å; F615-L646 HydrophobicContact CD2-CD2 3.86Å; F615-L646 HydrophobicContact CE1-CD2 4.32Å; F615-L646 HydrophobicContact CE2-CD2 3.81Å; F615-L646 HydrophobicContact CG-CB 4.35Å; F615-L646 HydrophobicContact CG-CD2 4.15Å; F615-L646 HydrophobicContact CZ-CD2 4.06Å; P616-L646 VanDerWaalsContact CA-O 3.31Å; P616-L646 WeakPolarHBondContact CA-O 3.3Å; P616-L646 WeakPolarHBondContact CB-O 3.47Å; F617-L646 HydrophobicContact CE2-CD1 3.7Å; F617-L646 HydrophobicContact CZ-CD1 4.11Å; L640-L646 HydrophobicContact CB-CD1 4.01Å; V644-L646 HydrophobicContact CG1-CD2 4.32Å; L646-L719 HydrophobicContact CD2-CD1 4.02Å; L646-L719 HydrophobicContact CD2-CD2 4.25Å; L646-F721 HydrophobicContact CD2-CE1 4.36Å
647E78.5Confident83Confident89 Ų8933 Ų3342%0.41615%0.148SC..SBendtrans-83-40.7179.4-65.2-175.2159.200111.2P616 K641 D645 L743P616-E647 WeakPolarHBondContact CG-O 3.36Å; K641-E647 WeakPolarHBondContact CE-OE1 3.47Å; K641-E647 HydrophobicContact CG-CG 4.45Å; K641-E647 IonicContact NZ-OE1 3.62Å; K641-E647 PolarHBondContact NZ-OE1 3.29Å; D645-E647 PolarHBondContact O-N 3.02Å; D645-E647 PolarHBondContact OD1-N 2.86Å; E647-L743 VanDerWaalsContact O-CD2 3.24Å; E647-L743 WeakPolarHBondContact O-CD2 3.44Å
648H80.4Confident82.9Confident38 Ų3833.5 Ų33.518%0.17615%0.152CC..SBendtrans-98.7-2.9-175.5-52.695.2000113.7D645 E751 L752D645-H648 IonicContact OD1-CE1 2.83Å; D645-H648 IonicContact OD1-ND1 2.78Å; D645-H648 PolarHBondContact OD1-ND1 3.26Å; D645-H648 IonicContact OD2-CG 3.55Å; D645-H648 IonicContact OD2-ND1 3.23Å; D645-H648 PolarHBondContact OD2-ND1 2.99Å; D645-H648 VanDerWaalsContact OD2-ND1 3.1Å; H648-E751 IonicContact CD2-OE2 3.81Å; H648-E751 PolarHBondContact CD2-OE2 3.49Å; H648-E751 IonicContact CE1-OE2 3.6Å; H648-E751 IonicContact NE2-OE2 3.88Å; H648-E751 PolarHBondContact NE2-OE2 3.23Å; H648-E751 VanDerWaalsContact NE2-OE2 3.1Å; H648-L752 HydrophobicContact CB-CB 4.44Å
649Q83.2Confident82.4Confident10 Ų1030.4 Ų30.45%0.04715%0.145CC..  trans-112.2158.4-179.6-72.8177.1-6.900111.2F615 P616 F721 L752 S756F615-Q649 WeakPolarHBondContact CD2-O 3.35Å; F615-Q649 HydrophobicContact CE2-CB 4.02Å; P616-Q649 WeakPolarHBondContact CD-O 3.35Å; P616-Q649 WeakPolarHBondContact CG-O 3.31Å; Q649-F721 HydrophobicContact CB-CD1 4.19Å; Q649-F721 HydrophobicContact CB-CE1 4.25Å; Q649-L752 HydrophobicContact CB-CD1 4.43Å; Q649-L752 HydrophobicContact CG-CD1 3.32Å; Q649-S756 PolarHBondContact NE2-OG 3.34Å
650C85.8Confident81.4Confident2 Ų227.7 Ų27.71%0.01414%0.135CC..  trans-124.3152.3173.6770000112.5I519 F721 G722 V734 I738 L743I519-C650 WeakPolarHBondContact CG2-SG 3.11Å; C650-F721 WeakPolarHBondContact O-CA 3.34Å; C650-G722 PolarHBondContact O-N 2.95Å; C650-V734 HydrophobicContact CB-CG1 4.29Å; C650-I738 HydrophobicContact CB-CD1 4.15Å; C650-I738 HydrophobicContact CB-CG1 3.8Å; C650-L743 HydrophobicContact CB-CD1 3.88Å
651G88.1Confident79.9Confident0 Ų037.4 Ų37.40%017%0.172CC..EExtended strand (participates in β ladder)trans157.5-155.7-178.900000112.4P614 F615 C720 G722P614-G651 WeakPolarHBondContact CA-O 3.12Å; F615-G651 VanDerWaalsContact CD1-C 3.43Å; F615-G651 WeakPolarHBondContact CD1-O 3.41Å; F615-G651 VanDerWaalsContact CZ-CA 3.42Å; F615-G651 PolarHBondContact N-O 2.83Å; F615-G651 PolarHBondContact O-N 3.1Å; G651-C720 VanDerWaalsContact CA-O 3.27Å; G651-C720 WeakPolarHBondContact CA-O 3.4Å; G651-G722 WeakPolarHBondContact CA-O 3.25Å
652Y89.1Confident78.1Confident7 Ų742 Ų423%0.02719%0.194CC..EExtended strand (participates in β ladder)trans-139.8152.3176.866.7-85.3000112.7A502 P503 H612 I613 C720 P724 F726 L730A502-Y652 HydrophobicContact CB-CE1 3.89Å; P503-Y652 WeakPolarHBondContact CD-OH 3.47Å; H612-Y652 HydrophobicContact CB-CD2 4.31Å; H612-Y652 AromaticContact ND1-CD2 3.81Å; H612-Y652 AromaticContact ND1-CE2 3.86Å; I613-Y652 CarbonylContact O-C 3.55Å; I613-Y652 VanDerWaalsContact O-CA 3.24Å; I613-Y652 WeakPolarHBondContact O-CA 3.45Å; Y652-C720 HydrophobicContact CD1-CB 4.16Å; Y652-C720 HydrophobicContact CE1-CB 3.61Å; Y652-C720 HydrophobicContact CE2-CB 4.13Å; Y652-C720 PolarHBondContact N-O 3.36Å; Y652-C720 PolarHBondContact O-N 3.47Å; Y652-P724 HydrophobicContact CD1-CB 3.93Å; Y652-P724 HydrophobicContact CD1-CG 4.16Å; Y652-P724 HydrophobicContact CE1-CB 3.96Å; Y652-F726 AromaticContact CE1-CE1 3.8Å; Y652-F726 HydrophobicContact CE1-CE1 3.8Å; Y652-F726 HydrophobicContact CE1-CZ 4.33Å; Y652-F726 HydrophobicContact CE2-CE1 4.22Å; Y652-F726 HydrophobicContact CE2-CZ 4.09Å; Y652-F726 AromaticContact CZ-CE1 3.6Å; Y652-F726 AromaticContact CZ-CZ 3.95Å; Y652-L730 HydrophobicContact CD1-CD2 4.06Å; Y652-L730 HydrophobicContact CD2-CD2 4.28Å; Y652-L730 HydrophobicContact CG-CD2 3.85Å
653V88.1Confident76Confident0 Ų045.2 Ų45.20%020%0.199CC..EExtended strand (participates in β ladder)trans-105.7131169.4-1790000108.5H612 I613 F615 L637 M655 E718 L719H612-V653 CarbonylContact C-O 3.6Å; H612-V653 WeakPolarHBondContact CA-O 3.11Å; I613-V653 PolarHBondContact N-O 2.89Å; I613-V653 PolarHBondContact O-N 3.11Å; F615-V653 HydrophobicContact CD1-CG2 4.19Å; F615-V653 HydrophobicContact CE1-CG2 4.44Å; L637-V653 HydrophobicContact CD2-CB 4.21Å; L637-V653 HydrophobicContact CD2-CG1 3.77Å; L637-V653 HydrophobicContact CD2-CG2 4.07Å; V653-M655 HydrophobicContact CG1-CG 4.44Å; V653-M655 HydrophobicContact CG1-SD 4.06Å; V653-E718 WeakPolarHBondContact CA-O 3.21Å; V653-L719 HydrophobicContact CG2-CD1 3.44Å; V653-L719 VanDerWaalsContact CG2-CD1 3.44Å
654T87.6Confident73.7Confident8 Ų852.5 Ų52.55%0.04922%0.223CC..EExtended strand (participates in β ladder)trans-94120.6169.9-55.80000109T610 V611 H612 L717 E718T610-T654 HydrophobicContact CG2-CG2 4.34Å; V611-T654 WeakPolarHBondContact O-CA 3.49Å; H612-T654 PolarHBondContact CE1-OG1 3.29Å; H612-T654 PolarHBondContact ND1-OG1 3.22Å; T654-L717 HydrophobicContact CG2-CB 4.37Å; T654-L717 HydrophobicContact CG2-CD2 4.19Å; T654-L717 WeakPolarHBondContact O-CB 3.45Å; T654-L717 PolarHBondContact O-N 2.59Å; T654-E718 PolarHBondContact N-O 2.98Å; T654-E718 PolarHBondContact O-N 3.02Å
655M86.6Confident71.5Confident0 Ų063.3 Ų63.30%026%0.264CS..EExtended strand (participates in β ladder)trans-100.1141.7172.2-61.9-68.1-67.400109.3T610 V611 I613 M631 L637 V653 W714 V715 P716T610-M655 CarbonylContact C-O 3.59Å; T610-M655 VanDerWaalsContact CA-O 3.26Å; T610-M655 WeakPolarHBondContact CA-O 3.44Å; V611-M655 PolarHBondContact N-O 2.92Å; V611-M655 PolarHBondContact O-N 2.81Å; I613-M655 HydrophobicContact CD1-CG 3.48Å; I613-M655 VanDerWaalsContact CD1-CG 3.48Å; I613-M655 HydrophobicContact CG1-CG 4.4Å; M631-M655 HydrophobicContact CE-CB 3.61Å; M631-M655 HydrophobicContact CE-CE 4.03Å; M631-M655 HydrophobicContact CE-CG 3.64Å; L637-M655 HydrophobicContact CD2-SD 4.09Å; V653-M655 HydrophobicContact CG1-CG 4.44Å; V653-M655 HydrophobicContact CG1-SD 4.06Å; M655-W714 HydrophobicContact CB-CE3 3.88Å; M655-W714 HydrophobicContact CB-CZ3 4.44Å; M655-W714 HydrophobicContact CE-CB 3.85Å; M655-V715 CarbonylContact C-O 3.58Å; M655-V715 WeakPolarHBondContact CA-O 3.46Å; M655-P716 HydrophobicContact SD-CB 3.97Å
656L85.6Confident69.1Low1 Ų168.7 Ų68.71%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-117.9133.5-179.9173.967.4000110P543 H602 E609 T610 V715 L717P543-L656 HydrophobicContact CB-CD2 4.36Å; H602-L656 VanDerWaalsContact ND1-CD1 3.34Å; H602-L656 WeakPolarHBondContact ND1-CD1 3.38Å; E609-L656 WeakPolarHBondContact O-CA 3.35Å; T610-L656 HydrophobicContact CG2-CD1 3.79Å; L656-V715 HydrophobicContact CB-CG2 4.35Å; L656-V715 PolarHBondContact N-O 2.83Å; L656-V715 PolarHBondContact O-N 3.25Å; L656-L717 HydrophobicContact CB-CB 4.11Å; L656-L717 HydrophobicContact CB-CD2 4.48Å; L656-L717 HydrophobicContact CD2-CD1 4.26Å
657N84.6Confident66.7Low7 Ų772.4 Ų72.44%0.03733%0.325CS..EExtended strand (participates in β ladder)trans-113.1112.1164.4-172.6-16000109.7G608 E609 N659 W714G608-N657 CarbonylContact C-O 3.5Å; G608-N657 WeakPolarHBondContact CA-O 3.15Å; E609-N657 HydrophobicContact CB-CB 4.39Å; E609-N657 PolarHBondContact N-O 3.07Å; E609-N657 PolarHBondContact O-N 3Å; N657-N659 VanDerWaalsContact C-N 3.29Å; N657-N659 PolarHBondContact O-N 2.91Å; N657-N659 PolarHBondContact OD1-N 3.16Å; N657-W714 HydrophobicContact CB-CD2 3.9Å; N657-W714 HydrophobicContact CB-CE3 3.76Å; N657-W714 HydrophobicContact CB-CH2 3.84Å; N657-W714 HydrophobicContact CB-CZ2 3.95Å; N657-W714 HydrophobicContact CB-CZ3 3.74Å
658S76.9Confident64.5Low12 Ų1276.4 Ų76.48%0.08435%0.349CS..SBendtrans-78.2-11.9180-620000114H602 M604H602-S658 WeakPolarHBondContact O-CA 3.47Å; H602-S658 WeakPolarHBondContact O-CB 3.39Å; H602-S658 PolarHBondContact O-OG 3.33Å; M604-S658 PolarHBondContact N-O 2.88Å
659N70.5Confident62.2Low61 Ų6180.5 Ų80.533%0.32638%0.382SS..  trans-103.958.3-174.7-81.7-30.8000112.3M604 N657 R661M604-N659 PolarHBondContact SD-OD1 2.69Å; N657-N659 VanDerWaalsContact C-N 3.29Å; N657-N659 PolarHBondContact O-N 2.91Å; N657-N659 PolarHBondContact OD1-N 3.16Å; N659-R661 PolarHBondContact O-N 2.69Å
660N62.6Low59.5Low34 Ų3484.6 Ų84.618%0.18242%0.417CS..  trans-76.787.9173.4-162.4-23.2000111H662N660-H662 PolarHBondContact O-N 3.07Å; N660-H662 WeakPolarHBondContact OD1-CB 3.26Å; N660-H662 PolarHBondContact OD1-N 3.19Å
661R49.4Very low56.8Low205 Ų20593.6 Ų93.677%0.77446%0.459SS*.G310 helixtrans-77.4-4.2173.4-71.1-174.5176-173.11.2113.2N659N659-R661 PolarHBondContact O-N 2.69Å
662H45.3Very low53.9Low144 Ų14499.7 Ų99.767%0.66750%0.5SS*.G310 helixtrans-88.4-1.1-165.9-72.9-71.8000115.7N660N660-H662 PolarHBondContact O-N 3.07Å; N660-H662 WeakPolarHBondContact OD1-CB 3.26Å; N660-H662 PolarHBondContact OD1-N 3.19Å
663R37.7Very low50.8Low218 Ų218111.5 Ų111.582%0.82355%0.545SS*.G310 helixtrans-10718.2-179.8-117.4-175.5-172.6-170.74.7116.4R665R663-R665 PolarHBondContact O-N 3.41Å
664R31.9Very low47.8Very low230 Ų230114.9 Ų114.987%0.86858%0.579SS**  trans-7395.1159.7-88.6-171.6-179.1177.11.4108.6T666R664-T666 PolarHBondContact O-N 3.41Å; R664-T666 VanDerWaalsContact O-N 3.13Å
665R29Very low44.7Very low228 Ų228124 Ų12486%0.8662%0.622SS**  trans-53.3118.4156.2-86.3-178174.4169.1-1107.5R663 S667R663-R665 PolarHBondContact O-N 3.41Å; R665-S667 PolarHBondContact O-N 2.87Å
666T28.8Very low41.9Very low147 Ų147130.1 Ų130.190%0.90266%0.659SS**SBendtrans-6584.4161.743.10000108.5R664R664-T666 PolarHBondContact O-N 3.41Å; R664-T666 VanDerWaalsContact O-N 3.13Å
667S32Very low39.1Very low80 Ų80139.3 Ų139.356%0.55970%0.701SS**  trans-157.477.7165.458.30000107.8R665R665-S667 PolarHBondContact O-N 2.87Å
668D31.3Very low36.4Very low173 Ų173147.3 Ų147.393%0.92574%0.743SS**  trans-169.959.2157.8-95.5-16.1000110.2
669S31.2Very low33.8Very low124 Ų124150.6 Ų150.687%0.86778%0.779SS**  trans-151.562.2163.666.50000110.6
670A27.8Very low31.6Very low95 Ų95152 Ų15279%0.78581%0.808SS**SBendtrans-154.7116.2157.100000110.2
671E27.9Very low29.7Very low191 Ų191154.1 Ų154.189%0.89384%0.837SS**  trans79.895.1154.6-59.5-171.7157.700119.9
672C27.1Very low28.6Very low128 Ų128151.5 Ų151.587%0.86584%0.838SS**  trans-58.5122.9142.3-690000110.9
673R25.3Very low27.6Very low256 Ų256152.3 Ų152.397%0.96685%0.847SS**  trans-179.9134138.7-107.4174.5177.4-166.2-0.7113.2
674G24.7Very low27.1Very low71 Ų71147 Ų14773%0.73284%0.839SS**  trans102.690.616200000113.6
675E23.5Very low26.8Very low200 Ų200144 Ų14494%0.93584%0.841SS**  103.8127.988.7-98.3-170.5175.100112.2
676T28Very low26.6Very low127 Ų127136.3 Ų136.378%0.77983%0.832SS**  trans-65.5138.2-178.640.40000113.4
677H24.9Very low26.7Very low194 Ų194135 Ų13590%0.89883%0.828SS**  trans-156131.1139.2-110.7-77.5000113.1
678L28Very low26.5Very low176 Ų176137.7 Ų137.792%0.92184%0.842SS**  trans-71.8144.1173.4-68.8155.9000111.4
679G23.5Very low26.1Very low81 Ų81138.8 Ų138.884%0.83584%0.841SS**  trans-177.9108.6165.400000112
680G23.1Very low25.8Very low90 Ų90138 Ų13893%0.92884%0.836SS**  trans-79.2161.3-179.300000114.3
681G23.5Very low25.8Very low78 Ų78141.4 Ų141.480%0.80483%0.834SS**  trans-171.296.517300000109.2
682L27Very low25.7Very low151 Ų151138.9 Ų138.979%0.79182%0.822SS**  trans-71.8121.1172.517680.1000108.4
683D24.4Very low25.8Very low160 Ų160137.8 Ų137.886%0.85681%0.807SS**  trans-136104.3158.2-82.3-39.2000110.2
684T27.1Very low26Very low106 Ų106128.6 Ų128.665%0.6578%0.779SS**  trans-68.1120.6160.643.10000109.9
685N25.7Very low26.1Very low169 Ų169127.9 Ų127.990%0.90476%0.76SS**  trans-173.6117.3148.1-89.4-21.3000105.3
686G23.4Very low26.6Very low65 Ų65123.2 Ų123.267%0.6774%0.739SS**  114.285.56900000106.1T688G686-T688 PolarHBondContact O-N 2.85Å
687S32Very low26.6Very low119 Ų119124.6 Ų124.683%0.83274%0.736SS**  trans-39.3116.3176.543.30000115.1
688T26.7Very low26.7Very low137 Ų137123.2 Ų123.284%0.8474%0.735SS**  trans-164.181.9151.921.40000106.9G686G686-T688 PolarHBondContact O-N 2.85Å
689E23.4Very low26.6Very low196 Ų196118.3 Ų118.392%0.91673%0.727SS**  trans-103106.9163.2-74.3-170.7172.900107.2
690S25.4Very low26.9Very low109 Ų109124.2 Ų124.276%0.76273%0.733SS**  trans-64.2140.4175.329.10000111E692S690-E692 PolarHBondContact O-N 3.03Å; S690-E692 VanDerWaalsContact O-N 3.16Å
691F26.8Very low27Very low166 Ų166123.3 Ų123.373%0.72872%0.724SS**  trans-60.7111.5172.5-79-95.7000109.8L693F691-L693 PolarHBondContact O-N 3.16Å
692E26.4Very low27.4Very low138 Ų138130.3 Ų130.365%0.64573%0.732SS**  trans-76.6108.1174.5-138.4178.4-176.700108.7S690 V694S690-E692 PolarHBondContact O-N 3.03Å; S690-E692 VanDerWaalsContact O-N 3.16Å; E692-V694 PolarHBondContact O-N 3.18Å
693L28.5Very low27.4Very low105 Ų105126.7 Ų126.755%0.5573%0.732SS.*  trans-66.1114.8165.5-101.6149.3000107.8F691 T695F691-L693 PolarHBondContact O-N 3.16Å; L693-T695 PolarHBondContact O-N 2.72Å; L693-T695 VanDerWaalsContact O-N 3.14Å
694V29.6Very low27.8Very low62 Ų62128.8 Ų128.838%0.37673%0.733SS.*  trans-74.7103-177.5-176.60000109.6V578 E692V578-V694 HydrophobicContact CB-CG2 4.15Å; V578-V694 HydrophobicContact CG2-CG2 3.65Å; E692-V694 PolarHBondContact O-N 3.18Å
695T28.5Very low27.9Very low56 Ų56130.1 Ų130.134%0.34474%0.741SS.*  trans-130.6121.315752.30000108.4L693 F726L693-T695 PolarHBondContact O-N 2.72Å; L693-T695 VanDerWaalsContact O-N 3.14Å; T695-F726 HydrophobicContact CG2-CD2 4.44Å
696E33.7Very low28.3Very low103 Ų103130 Ų13048%0.48174%0.741SS.*  trans-70.2140.3-172.8-62.1-170.6145.900113
697E27.1Very low28.9Very low155 Ų155130.3 Ų130.372%0.72473%0.733SS**  trans-76.1120.2168.6-67.5-177.6162.400110.3G699E697-G699 PolarHBondContact O-N 3.26Å
698N27.9Very low29.2Very low166 Ų166133 Ų13389%0.88874%0.736SS**  trans-85.989.8167.9-96.7-9.9000110.1
699G25Very low30.3Very low73 Ų73127.9 Ų127.975%0.75371%0.707SS**  trans-85.6113.9165.100000111.1E697 G701E697-G699 PolarHBondContact O-N 3.26Å; G699-G701 PolarHBondContact O-N 3.34Å; G699-G701 VanDerWaalsContact O-N 3.14Å
700E28.9Very low32.1Very low204 Ų204121.1 Ų121.195%0.95368%0.681SS**  trans-65.7107.1174-69.1-170.2151.600111.5
701G26Very low34Very low71 Ų71118 Ų11873%0.73265%0.654SS**  trans-126.4100.9168.600000110.9G699 G703G699-G701 PolarHBondContact O-N 3.34Å; G699-G701 VanDerWaalsContact O-N 3.14Å; G701-G703 PolarHBondContact O-N 2.9Å
702K33Very low35.8Very low225 Ų225115.4 Ų115.498%0.97865%0.648SS**  trans-58.4120.4173.1-85.2174173.6167.70111.4
703G26.6Very low38.2Very low76 Ų76112.1 Ų112.178%0.78463%0.633SS**  trans171.997.1166.700000114.6G701G701-G703 PolarHBondContact O-N 2.9Å
704K33.2Very low40.7Very low204 Ų204107.3 Ų107.389%0.88761%0.607SS**  trans-29.3138.7174.3-68.5170.5172.1178.10116.8
705T27.4Very low43.3Very low133 Ų133105.6 Ų105.682%0.81660%0.597SS**  -172.3111.2105.4-48.50000109S707T705-S707 PolarHBondContact O-N 3.4Å; T705-S707 VanDerWaalsContact O-N 3.12Å
706D34.4Very low46Very low167 Ų167102.9 Ų102.989%0.89358%0.58SS**  trans-67.8102.5173.3-75-42.5000110.3
707S35.9Very low48.4Very low72 Ų7298.6 Ų98.650%0.50356%0.561SS.*  trans-93.9120.7159.151.30000108.4T705 S709T705-S707 PolarHBondContact O-N 3.4Å; T705-S707 VanDerWaalsContact O-N 3.12Å; S707-S709 PolarHBondContact O-N 2.79Å
708L38.2Very low51.2Low174 Ų17493.5 Ų93.591%0.91154%0.537SS*.  trans-53.299.1173.3-75.6128.8000109.8
709S50.4Low54.1Low31 Ų3185.9 Ų85.922%0.21750%0.496CS..  trans-64.7133.4163.8430000107.6S707 W714S707-S709 PolarHBondContact O-N 2.79Å; S709-W714 PolarHBondContact OG-NE1 3.42Å
710S60.9Low57Low53 Ų5383.1 Ų83.137%0.37147%0.465SS..  trans-67.7141.9179.863.60000109.7D712 E713S710-D712 PolarHBondContact O-N 3.45Å; S710-D712 VanDerWaalsContact O-N 3.1Å; S710-E713 WeakPolarHBondContact O-CB 3.18Å; S710-E713 PolarHBondContact O-N 3.41Å; S710-E713 VanDerWaalsContact OG-CD 3.25Å; S710-E713 VanDerWaalsContact OG-CG 3.31Å; S710-E713 WeakPolarHBondContact OG-CG 3.29Å; S710-E713 PolarHBondContact OG-OE1 3.39Å
711E65.4Low59.8Low43 Ų4374 Ų7420%0.20142%0.422CS..G310 helixtrans-49.9-38.6178.4-171.8-170.6-175.900110.9F626 H634 K635 E713 W714F626-E711 HydrophobicContact CD1-CB 4.27Å; F626-E711 HydrophobicContact CD2-CG 4.23Å; F626-E711 HydrophobicContact CE1-CB 4.08Å; F626-E711 HydrophobicContact CE2-CG 4.12Å; F626-E711 HydrophobicContact CG-CG 4.48Å; F626-E711 HydrophobicContact CZ-CB 4.23Å; F626-E711 HydrophobicContact CZ-CG 4.27Å; H634-E711 WeakPolarHBondContact CA-OE1 3.34Å; H634-E711 WeakPolarHBondContact CD2-CG 3.29Å; H634-E711 IonicContact CD2-OE1 2.65Å; H634-E711 PolarHBondContact NE2-O 2.7Å; K635-E711 VanDerWaalsContact CE-OE2 3.23Å; K635-E711 WeakPolarHBondContact CE-OE2 3.17Å; K635-E711 WeakPolarHBondContact CG-OE1 3.42Å; K635-E711 PolarHBondContact N-OE1 3.04Å; K635-E711 IonicContact NZ-OE2 2.98Å; K635-E711 PolarHBondContact NZ-OE2 3.1Å; E711-E713 VanDerWaalsContact C-N 3.28Å; E711-E713 PolarHBondContact O-N 2.9Å; E711-W714 PolarHBondContact O-N 2.76Å
712D65.9Low62.7Low113 Ų11370.6 Ų70.660%0.60439%0.387SS*.G310 helixtrans-73.6-9.3-175.2-59-42.3000114.8S710S710-D712 PolarHBondContact O-N 3.45Å; S710-D712 VanDerWaalsContact O-N 3.1Å
713E75.3Confident65.4Low69 Ų6959.9 Ų59.932%0.32234%0.341SS..G310 helixtrans-78.4-21.9175-80163.2-141.800113.2S710 E711S710-E713 WeakPolarHBondContact O-CB 3.18Å; S710-E713 PolarHBondContact O-N 3.41Å; S710-E713 VanDerWaalsContact OG-CD 3.25Å; S710-E713 VanDerWaalsContact OG-CG 3.31Å; S710-E713 WeakPolarHBondContact OG-CG 3.29Å; S710-E713 PolarHBondContact OG-OE1 3.39Å; E711-E713 VanDerWaalsContact C-N 3.28Å; E711-E713 PolarHBondContact O-N 2.9Å
714W80.6Confident68.4Low3 Ų356.3 Ų56.31%0.01130%0.303CS..EExtended strand (participates in β ladder)trans-97.1119.5-177.8-69.794000110.5E609 V611 Y628 M631 H634 M655 N657 S709 E711E609-W714 HydrophobicContact CB-CH2 4.42Å; E609-W714 HydrophobicContact CG-CH2 3.94Å; V611-W714 HydrophobicContact CB-CH2 4.39Å; V611-W714 HydrophobicContact CB-CZ3 4.1Å; V611-W714 HydrophobicContact CG2-CH2 3.53Å; V611-W714 HydrophobicContact CG2-CZ3 3.7Å; Y628-W714 HydrophobicContact CD2-CZ2 4.05Å; Y628-W714 HydrophobicContact CE2-CH2 4.09Å; Y628-W714 AromaticContact CE2-CZ2 3.81Å; Y628-W714 HydrophobicContact CE2-CZ2 3.81Å; M631-W714 HydrophobicContact CE-CB 3.76Å; M631-W714 HydrophobicContact CE-CD2 3.47Å; M631-W714 VanDerWaalsContact CE-CD2 3.47Å; M631-W714 HydrophobicContact CE-CE3 3.59Å; M631-W714 HydrophobicContact CE-CG 3.57Å; M631-W714 HydrophobicContact CE-CZ3 4.36Å; H634-W714 PolarHBondContact CE1-O 3.07Å; H634-W714 PolarHBondContact NE2-O 2.99Å; H634-W714 VanDerWaalsContact NE2-O 3.12Å; M655-W714 HydrophobicContact CB-CE3 3.88Å; M655-W714 HydrophobicContact CB-CZ3 4.44Å; M655-W714 HydrophobicContact CE-CB 3.85Å; N657-W714 HydrophobicContact CB-CD2 3.9Å; N657-W714 HydrophobicContact CB-CE3 3.76Å; N657-W714 HydrophobicContact CB-CH2 3.84Å; N657-W714 HydrophobicContact CB-CZ2 3.95Å; N657-W714 HydrophobicContact CB-CZ3 3.74Å; S709-W714 PolarHBondContact OG-NE1 3.42Å; E711-W714 PolarHBondContact O-N 2.76Å
715V84.4Confident70.9Confident26 Ų2646.9 Ų46.916%0.15826%0.263CS..EExtended strand (participates in β ladder)trans-116.9143.1177.4-66.60000110.9P543 M655 L656 L717P543-V715 HydrophobicContact CB-CG2 4.37Å; M655-V715 CarbonylContact C-O 3.58Å; M655-V715 WeakPolarHBondContact CA-O 3.46Å; L656-V715 HydrophobicContact CB-CG2 4.35Å; L656-V715 PolarHBondContact N-O 2.83Å; L656-V715 PolarHBondContact O-N 3.25Å; V715-L717 PolarHBondContact O-N 2.91Å
716P85.7Confident73.6Confident0 Ų042.6 Ų42.60%023%0.233CC..EExtended strand (participates in β ladder)trans-66.3129.5173.529.7-34.6000109.1L535 Y536 T539 Q541 A636 M655L535-P716 HydrophobicContact CD2-CB 3.96Å; Y536-P716 WeakPolarHBondContact CE1-O 3.48Å; T539-P716 HydrophobicContact CG2-CG 4.39Å; Q541-P716 VanDerWaalsContact O-CG 3.27Å; Q541-P716 WeakPolarHBondContact O-CG 3.35Å; A636-P716 HydrophobicContact CB-CG 4.01Å; M655-P716 HydrophobicContact SD-CB 3.97Å
717L85.1Confident76Confident13 Ų1336.6 Ų36.67%0.06820%0.204CC..EExtended strand (participates in β ladder)trans-96.6-49.5176.2-179.363.2000110.6Y536 P543 L568 T654 L656 V715Y536-L717 PolarHBondContact OH-O 2.9Å; P543-L717 HydrophobicContact CG-CD1 4.06Å; L568-L717 HydrophobicContact CD2-CD1 4.11Å; L568-L717 HydrophobicContact CD2-CD2 4.44Å; T654-L717 HydrophobicContact CG2-CB 4.37Å; T654-L717 HydrophobicContact CG2-CD2 4.19Å; T654-L717 WeakPolarHBondContact O-CB 3.45Å; T654-L717 PolarHBondContact O-N 2.59Å; L656-L717 HydrophobicContact CB-CB 4.11Å; L656-L717 HydrophobicContact CB-CD2 4.48Å; L656-L717 HydrophobicContact CD2-CD1 4.26Å; V715-L717 PolarHBondContact O-N 2.91Å
718E86.1Confident78.2Confident47 Ų4735.1 Ų35.122%0.2219%0.194CC..EExtended strand (participates in β ladder)trans-153.5149.7-172-172.5166.1-128.500111.3K532 V653 T654K532-E718 WeakPolarHBondContact CE-OE1 3.46Å; K532-E718 IonicContact NZ-OE1 2.97Å; K532-E718 PolarHBondContact NZ-OE1 3.04Å; K532-E718 IonicContact NZ-OE2 3.85Å; V653-E718 WeakPolarHBondContact CA-O 3.21Å; T654-E718 PolarHBondContact N-O 2.98Å; T654-E718 PolarHBondContact O-N 3.02Å
719L87.2Confident80.5Confident7 Ų729.8 Ų29.84%0.03716%0.164CC..EExtended strand (participates in β ladder)trans-125.5116.3175171.870.4000107.8F531 L535 F615 V644 L646 V653 F721F531-L719 HydrophobicContact CE1-CB 3.99Å; F531-L719 HydrophobicContact CE1-CD2 3.84Å; F531-L719 HydrophobicContact CE1-CG 4.09Å; F531-L719 HydrophobicContact CZ-CD2 3.85Å; L535-L719 HydrophobicContact CD1-CB 4.06Å; L535-L719 HydrophobicContact CD1-CD2 4.13Å; L535-L719 HydrophobicContact CD2-CB 4.47Å; F615-L719 HydrophobicContact CD1-CD1 4.09Å; F615-L719 HydrophobicContact CE1-CD1 3.32Å; F615-L719 HydrophobicContact CZ-CD1 3.78Å; V644-L719 HydrophobicContact CG1-CD2 3.86Å; L646-L719 HydrophobicContact CD2-CD1 4.02Å; L646-L719 HydrophobicContact CD2-CD2 4.25Å; V653-L719 HydrophobicContact CG2-CD1 3.44Å; V653-L719 VanDerWaalsContact CG2-CD1 3.44Å; L719-F721 HydrophobicContact CD2-CE1 4.24Å; L719-F721 HydrophobicContact CD2-CE2 4.17Å; L719-F721 HydrophobicContact CD2-CZ 3.59Å; L719-F721 HydrophobicContact CG-CE1 4.37Å; L719-F721 HydrophobicContact CG-CE2 4.27Å; L719-F721 HydrophobicContact CG-CZ 3.95Å
720C87.1Confident82.1Confident15 Ų1528.7 Ų28.710%0.10116%0.156CC..EExtended strand (participates in β ladder)trans-114.5131.8-178.7-680000110.5A502 G651 Y652A502-C720 HydrophobicContact CB-CB 4.33Å; G651-C720 VanDerWaalsContact CA-O 3.27Å; G651-C720 WeakPolarHBondContact CA-O 3.4Å; Y652-C720 HydrophobicContact CD1-CB 4.16Å; Y652-C720 HydrophobicContact CE1-CB 3.61Å; Y652-C720 HydrophobicContact CE2-CB 4.13Å; Y652-C720 PolarHBondContact N-O 3.36Å; Y652-C720 PolarHBondContact O-N 3.47Å
721F87.6Confident83.5Confident12 Ų1226.3 Ų26.35%0.05314%0.139CC..EExtended strand (participates in β ladder)trans-98.1137.4175.9-59.8-74.6000111V526 F531 F615 V644 L646 Q649 C650 L719 L759V526-F721 HydrophobicContact CG1-CD2 3.52Å; V526-F721 HydrophobicContact CG1-CE2 3.43Å; V526-F721 VanDerWaalsContact CG1-CE2 3.43Å; F531-F721 AromaticContact CE1-CE2 3.82Å; F531-F721 HydrophobicContact CE1-CE2 3.82Å; F531-F721 HydrophobicContact CE1-CZ 4.46Å; F531-F721 AromaticContact CZ-CE2 3.74Å; F531-F721 HydrophobicContact CZ-CE2 3.74Å; F531-F721 HydrophobicContact CZ-CZ 4.14Å; F615-F721 AromaticContact CE2-CD1 3.94Å; F615-F721 HydrophobicContact CE2-CD1 3.94Å; F615-F721 AromaticContact CE2-CE1 3.99Å; F615-F721 HydrophobicContact CE2-CE1 3.99Å; F615-F721 AromaticContact CZ-CD1 3.6Å; F615-F721 HydrophobicContact CZ-CD1 3.6Å; F615-F721 AromaticContact CZ-CE1 3.71Å; F615-F721 HydrophobicContact CZ-CE1 3.71Å; V644-F721 HydrophobicContact CG1-CE1 4.37Å; V644-F721 HydrophobicContact CG1-CZ 3.7Å; L646-F721 HydrophobicContact CD2-CE1 4.36Å; Q649-F721 HydrophobicContact CB-CD1 4.19Å; Q649-F721 HydrophobicContact CB-CE1 4.25Å; C650-F721 WeakPolarHBondContact O-CA 3.34Å; L719-F721 HydrophobicContact CD2-CE1 4.24Å; L719-F721 HydrophobicContact CD2-CE2 4.17Å; L719-F721 HydrophobicContact CD2-CZ 3.59Å; L719-F721 HydrophobicContact CG-CE1 4.37Å; L719-F721 HydrophobicContact CG-CE2 4.27Å; L719-F721 HydrophobicContact CG-CZ 3.95Å; F721-L759 HydrophobicContact CE2-CD2 4.44Å; F721-L759 HydrophobicContact CZ-CD2 4.23Å
722G87.4Confident84.4Confident0 Ų030.4 Ų30.40%015%0.153CC..SBendtrans114.3-164.317900000113.8S500 C650 G651 P724S500-G722 CarbonylContact O-C 3.54Å; S500-G722 VanDerWaalsContact O-CA 3.3Å; S500-G722 WeakPolarHBondContact O-CA 3.39Å; C650-G722 PolarHBondContact O-N 2.95Å; G651-G722 WeakPolarHBondContact CA-O 3.25Å; G722-P724 WeakPolarHBondContact O-CD 3.41Å
723M89.1Confident85.3Confident0 Ų030.6 Ų30.60%015%0.145CC..EExtended strand (participates in β ladder)trans-94.5114.5-170.7-67.1-64.6-66.900111.9F378 T446 V499 S500 M501 A502 L725 V734 C735 I738F378-M723 HydrophobicContact CE2-CB 4.05Å; F378-M723 HydrophobicContact CE2-CG 4.25Å; T446-M723 HydrophobicContact CG2-CB 4.44Å; T446-M723 HydrophobicContact CG2-CE 3.78Å; T446-M723 HydrophobicContact CG2-CG 4.48Å; V499-M723 HydrophobicContact CG1-CG 3.59Å; S500-M723 PolarHBondContact O-N 3.2Å; M501-M723 CarbonylContact C-O 3.14Å; M501-M723 WeakPolarHBondContact CA-O 3.4Å; A502-M723 PolarHBondContact N-O 3.39Å; M723-L725 PolarHBondContact O-N 2.65Å; M723-V734 HydrophobicContact SD-CG1 3.97Å; M723-C735 WeakPolarHBondContact CE-SG 3.39Å; M723-I738 HydrophobicContact CE-CD1 4.47Å; M723-I738 HydrophobicContact SD-CD1 3.45Å; M723-I738 WeakPolarHBondContact SD-CD1 3.39Å
724P89.8Confident85.8Confident0 Ų027.3 Ų27.30%013%0.129CC..EExtended strand (participates in β ladder)trans-70.3126178.224.3-27.1000111.2A502 Y652 G722 F726 L730 N731 V734A502-P724 VanDerWaalsContact O-CA 3.3Å; A502-P724 WeakPolarHBondContact O-CA 3.45Å; Y652-P724 HydrophobicContact CD1-CB 3.93Å; Y652-P724 HydrophobicContact CD1-CG 4.16Å; Y652-P724 HydrophobicContact CE1-CB 3.96Å; G722-P724 WeakPolarHBondContact O-CD 3.41Å; P724-F726 HydrophobicContact CB-CD1 4.19Å; P724-F726 HydrophobicContact CB-CE1 3.75Å; P724-F726 HydrophobicContact CB-CZ 4.39Å; P724-L730 HydrophobicContact CB-CD2 3.74Å; P724-L730 HydrophobicContact CB-CG 4.18Å; P724-L730 HydrophobicContact CG-CB 4.35Å; P724-L730 HydrophobicContact CG-CD2 3.8Å; P724-L730 HydrophobicContact CG-CG 3.71Å; P724-N731 VanDerWaalsContact O-CB 3.3Å; P724-N731 WeakPolarHBondContact O-CB 3.21Å; P724-N731 PolarHBondContact O-ND2 3.17Å; P724-V734 HydrophobicContact CG-CB 4.5Å; P724-V734 HydrophobicContact CG-CG2 3.97Å
725L86Confident86Confident7 Ų727.6 Ų27.64%0.03713%0.132CC..  trans-103.8-5.2178.4-62.9-177.2000113.6F378 L384 H439 T442 L443 T446 M501 M723F378-L725 HydrophobicContact CE1-CD1 4.21Å; F378-L725 HydrophobicContact CZ-CD1 4.05Å; F378-L725 HydrophobicContact CZ-CD2 4.24Å; F378-L725 HydrophobicContact CZ-CG 4.45Å; L384-L725 HydrophobicContact CD1-CD1 4.02Å; L384-L725 HydrophobicContact CD2-CD1 4.36Å; H439-L725 PolarHBondContact ND1-O 3.03Å; T442-L725 HydrophobicContact CG2-CD2 4.42Å; L443-L725 HydrophobicContact CD1-CD1 4.16Å; L443-L725 HydrophobicContact CD1-CD2 4.37Å; T446-L725 HydrophobicContact CG2-CD2 4.43Å; M501-L725 HydrophobicContact CB-CD1 3.9Å; M501-L725 HydrophobicContact CB-CG 4.3Å; M501-L725 HydrophobicContact CE-CD1 4.4Å; M501-L725 HydrophobicContact SD-CD1 4.38Å; M723-L725 PolarHBondContact O-N 2.65Å
726F84.1Confident86Confident43 Ų4333.1 Ų33.119%0.18915%0.15CC..SBendtrans-89.1-15.1-176.467.6-91.4000115.4H439 H612 Y652 T695 P724 L730H439-F726 WeakPolarHBondContact CE1-CA 3.49Å; H439-F726 VanDerWaalsContact CE1-CB 3.4Å; H439-F726 WeakPolarHBondContact CE1-CB 2.92Å; H439-F726 VanDerWaalsContact ND1-CA 3.33Å; H439-F726 WeakPolarHBondContact ND1-CA 3.35Å; H612-F726 AromaticContact CD2-CE2 3.74Å; H612-F726 AromaticContact NE2-CE2 3.6Å; H612-F726 AromaticContact NE2-CZ 3.91Å; Y652-F726 AromaticContact CE1-CE1 3.8Å; Y652-F726 HydrophobicContact CE1-CE1 3.8Å; Y652-F726 HydrophobicContact CE1-CZ 4.33Å; Y652-F726 HydrophobicContact CE2-CE1 4.22Å; Y652-F726 HydrophobicContact CE2-CZ 4.09Å; Y652-F726 AromaticContact CZ-CE1 3.6Å; Y652-F726 AromaticContact CZ-CZ 3.95Å; T695-F726 HydrophobicContact CG2-CD2 4.44Å; P724-F726 HydrophobicContact CB-CD1 4.19Å; P724-F726 HydrophobicContact CB-CE1 3.75Å; P724-F726 HydrophobicContact CB-CZ 4.39Å; F726-L730 HydrophobicContact CE1-CD2 4.22Å; F726-L730 HydrophobicContact CE2-CD2 4.16Å; F726-L730 HydrophobicContact CZ-CD2 3.55Å
727S83.1Confident85.9Confident40 Ų4034 Ų3428%0.2815%0.154SC..  trans-139.4117.8179.31760000110E729 L730 N731S727-E729 VanDerWaalsContact C-N 3.29Å; S727-E729 PolarHBondContact O-N 3.22Å; S727-L730 PolarHBondContact O-N 3.41Å; S727-L730 PolarHBondContact OG-N 3.43Å; S727-N731 VanDerWaalsContact O-CB 3.3Å; S727-N731 WeakPolarHBondContact O-CB 3.34Å; S727-N731 PolarHBondContact O-N 3.5Å
728S83.5Confident85.8Confident42 Ų4233.7 Ų33.729%0.29415%0.152SC..Hα-helixtrans-60-38.6178-179.50000112T442 R732T442-S728 WeakPolarHBondContact OG1-CA 3.44Å; T442-S728 WeakPolarHBondContact OG1-CB 3.38Å; T442-S728 PolarHBondContact OG1-N 2.62Å; S728-R732 VanDerWaalsContact O-CB 3.24Å; S728-R732 WeakPolarHBondContact O-CB 3.24Å; S728-R732 PolarHBondContact O-N 3.47Å
729E85.4Confident85.6Confident62 Ų6232.7 Ų32.729%0.2915%0.152SC..Hα-helixtrans-68.3-45.6178.4176.557.6-170.300112S727 R732 R733S727-E729 VanDerWaalsContact C-N 3.29Å; S727-E729 PolarHBondContact O-N 3.22Å; E729-R732 PolarHBondContact O-N 3.42Å; E729-R732 IonicContact OE2-CZ 3.04Å; E729-R732 VanDerWaalsContact OE2-CZ 3.28Å; E729-R732 IonicContact OE2-NE 3.79Å; E729-R732 PolarHBondContact OE2-NE 2.92Å; E729-R732 IonicContact OE2-NH2 3.46Å; E729-R732 PolarHBondContact OE2-NH2 2.73Å; E729-R733 WeakPolarHBondContact O-CG 3.26Å; E729-R733 PolarHBondContact O-N 2.82Å; E729-R733 IonicContact OE1-CZ 2.67Å; E729-R733 VanDerWaalsContact OE1-CZ 3.24Å; E729-R733 IonicContact OE1-NE 3.51Å; E729-R733 PolarHBondContact OE1-NE 3.37Å; E729-R733 IonicContact OE1-NH2 3.68Å; E729-R733 PolarHBondContact OE1-NH2 3.47Å
730L85.1Confident85.3Confident8 Ų835.9 Ų35.94%0.04217%0.174CC..Hα-helixtrans-63.9-45.7178.2-175.464.9000110.9H612 P614 Y652 P724 F726 S727 R732 R733 V734H612-L730 HydrophobicContact CB-CD1 4.06Å; H612-L730 HydrophobicContact CB-CD2 3.79Å; P614-L730 HydrophobicContact CB-CD1 3.95Å; P614-L730 HydrophobicContact CG-CD1 4.21Å; Y652-L730 HydrophobicContact CD1-CD2 4.06Å; Y652-L730 HydrophobicContact CD2-CD2 4.28Å; Y652-L730 HydrophobicContact CG-CD2 3.85Å; P724-L730 HydrophobicContact CB-CD2 3.74Å; P724-L730 HydrophobicContact CB-CG 4.18Å; P724-L730 HydrophobicContact CG-CB 4.35Å; P724-L730 HydrophobicContact CG-CD2 3.8Å; P724-L730 HydrophobicContact CG-CG 3.71Å; F726-L730 HydrophobicContact CE1-CD2 4.22Å; F726-L730 HydrophobicContact CE2-CD2 4.16Å; F726-L730 HydrophobicContact CZ-CD2 3.55Å; S727-L730 PolarHBondContact O-N 3.41Å; S727-L730 PolarHBondContact OG-N 3.43Å; L730-R732 VanDerWaalsContact C-N 3.33Å; L730-R732 PolarHBondContact O-N 3.07Å; L730-R733 PolarHBondContact O-N 3.04Å; L730-V734 WeakPolarHBondContact O-CG2 3.37Å; L730-V734 PolarHBondContact O-N 2.89Å
731N89.4Confident84.8Confident3 Ų338 Ų382%0.01618%0.183CC..Hα-helixtrans-55.3-49.3175.5-176.4-92.1000111.5T442 T446 P724 S727 R733 V734 C735T442-N731 HydrophobicContact CG2-CB 3.46Å; T442-N731 VanDerWaalsContact CG2-CB 3.46Å; T446-N731 PolarHBondContact OG1-ND2 3.01Å; T446-N731 PolarHBondContact OG1-OD1 3.29Å; P724-N731 VanDerWaalsContact O-CB 3.3Å; P724-N731 WeakPolarHBondContact O-CB 3.21Å; P724-N731 PolarHBondContact O-ND2 3.17Å; S727-N731 VanDerWaalsContact O-CB 3.3Å; S727-N731 WeakPolarHBondContact O-CB 3.34Å; S727-N731 PolarHBondContact O-N 3.5Å; N731-R733 VanDerWaalsContact C-N 3.29Å; N731-R733 PolarHBondContact O-N 2.64Å; N731-V734 PolarHBondContact O-N 2.72Å; N731-V734 VanDerWaalsContact O-N 3.16Å; N731-C735 WeakPolarHBondContact O-CB 3.34Å; N731-C735 PolarHBondContact O-N 3.41Å; N731-C735 PolarHBondContact O-SG 2.97Å
732R85.6Confident84.4Confident128 Ų12842.2 Ų42.248%0.48320%0.201SC..Hα-helixtrans-60.5-37.7179.3-175.3170.364.3-177.42.1112.3S728 E729 L730 R736S728-R732 VanDerWaalsContact O-CB 3.24Å; S728-R732 WeakPolarHBondContact O-CB 3.24Å; S728-R732 PolarHBondContact O-N 3.47Å; E729-R732 PolarHBondContact O-N 3.42Å; E729-R732 IonicContact OE2-CZ 3.04Å; E729-R732 VanDerWaalsContact OE2-CZ 3.28Å; E729-R732 IonicContact OE2-NE 3.79Å; E729-R732 PolarHBondContact OE2-NE 2.92Å; E729-R732 IonicContact OE2-NH2 3.46Å; E729-R732 PolarHBondContact OE2-NH2 2.73Å; L730-R732 VanDerWaalsContact C-N 3.33Å; L730-R732 PolarHBondContact O-N 3.07Å; R732-R736 VanDerWaalsContact NE-NH2 3.12Å; R732-R736 WeakPolarHBondContact O-CG 2.75Å; R732-R736 PolarHBondContact O-N 2.82Å; R732-R736 VanDerWaalsContact O-N 3.09Å
733R85Confident83.9Confident117 Ų11742.4 Ų42.444%0.44220%0.202SC..Hα-helixtrans-67.8-45174.5-69.6179.3-171.2-172.84.5111.9P614 E729 L730 N731 R736 K737P614-R733 HydrophobicContact CB-CB 4.25Å; P614-R733 HydrophobicContact CG-CB 3.82Å; E729-R733 WeakPolarHBondContact O-CG 3.26Å; E729-R733 PolarHBondContact O-N 2.82Å; E729-R733 IonicContact OE1-CZ 2.67Å; E729-R733 VanDerWaalsContact OE1-CZ 3.24Å; E729-R733 IonicContact OE1-NE 3.51Å; E729-R733 PolarHBondContact OE1-NE 3.37Å; E729-R733 IonicContact OE1-NH2 3.68Å; E729-R733 PolarHBondContact OE1-NH2 3.47Å; L730-R733 PolarHBondContact O-N 3.04Å; N731-R733 VanDerWaalsContact C-N 3.29Å; N731-R733 PolarHBondContact O-N 2.64Å; R733-R736 PolarHBondContact O-N 2.77Å; R733-K737 WeakPolarHBondContact O-CG 3.42Å; R733-K737 PolarHBondContact O-N 3.4Å
734V85.6Confident83.1Confident0 Ų043.4 Ų43.40%021%0.209CC..Hα-helixtrans-61.9-46.6176.8174.60000110.9P614 C650 M723 P724 L730 N731 R736 K737 I738P614-V734 HydrophobicContact CB-CG2 3.65Å; C650-V734 HydrophobicContact CB-CG1 4.29Å; M723-V734 HydrophobicContact SD-CG1 3.97Å; P724-V734 HydrophobicContact CG-CB 4.5Å; P724-V734 HydrophobicContact CG-CG2 3.97Å; L730-V734 WeakPolarHBondContact O-CG2 3.37Å; L730-V734 PolarHBondContact O-N 2.89Å; N731-V734 PolarHBondContact O-N 2.72Å; N731-V734 VanDerWaalsContact O-N 3.16Å; V734-R736 PolarHBondContact O-N 2.72Å; V734-K737 PolarHBondContact O-N 3.37Å; V734-K737 VanDerWaalsContact O-N 3.13Å; V734-I738 HydrophobicContact CG1-CD1 3.92Å; V734-I738 HydrophobicContact CG1-CG1 4.41Å; V734-I738 WeakPolarHBondContact O-CG1 3.18Å; V734-I738 PolarHBondContact O-N 2.89Å
735C84.5Confident82.4Confident9 Ų945.2 Ų45.26%0.06122%0.221CC..Hα-helixtrans-54.8-47.7174.1-72.10000112.3F449 M723 N731 K737 I738 A739F449-C735 HydrophobicContact CD1-CB 4.13Å; F449-C735 HydrophobicContact CD2-CB 3.79Å; F449-C735 HydrophobicContact CE1-CB 4.16Å; F449-C735 HydrophobicContact CE2-CB 3.8Å; F449-C735 VanDerWaalsContact CE2-O 3.23Å; F449-C735 WeakPolarHBondContact CE2-O 3.49Å; F449-C735 HydrophobicContact CG-CB 3.95Å; F449-C735 HydrophobicContact CZ-CB 4Å; F449-C735 WeakPolarHBondContact CZ-O 3.46Å; M723-C735 WeakPolarHBondContact CE-SG 3.39Å; N731-C735 WeakPolarHBondContact O-CB 3.34Å; N731-C735 PolarHBondContact O-N 3.41Å; N731-C735 PolarHBondContact O-SG 2.97Å; C735-K737 VanDerWaalsContact C-N 3.32Å; C735-K737 PolarHBondContact O-N 2.78Å; C735-I738 PolarHBondContact O-N 3.26Å; C735-A739 PolarHBondContact O-N 2.94Å
736R84.3Confident81.8Confident143 Ų14348.3 Ų48.354%0.5424%0.238SC..Hα-helixtrans-60.6-42.1177.1-76.7-175.3-130.8166.42.9111.8R732 R733 V734 A739 S740R732-R736 VanDerWaalsContact NE-NH2 3.12Å; R732-R736 WeakPolarHBondContact O-CG 2.75Å; R732-R736 PolarHBondContact O-N 2.82Å; R732-R736 VanDerWaalsContact O-N 3.09Å; R733-R736 PolarHBondContact O-N 2.77Å; V734-R736 PolarHBondContact O-N 2.72Å; R736-A739 PolarHBondContact O-N 2.62Å; R736-S740 PolarHBondContact O-N 3.27Å; R736-S740 PolarHBondContact O-OG 2.95Å
737K83.1Confident81.5Confident17 Ų1753.7 Ų53.77%0.07426%0.264CS..Hα-helixtrans-67.3-38.3179.9-74.3176.8164.5-1450113P614 P616 R733 V734 C735 A739 S740 H741P614-K737 HydrophobicContact CB-CD 4.18Å; P614-K737 HydrophobicContact CG-CD 4.32Å; P614-K737 PolarHBondContact O-NZ 3.32Å; P616-K737 WeakPolarHBondContact O-CD 3.04Å; P616-K737 WeakPolarHBondContact O-CE 2.99Å; P616-K737 PolarHBondContact O-NZ 3.46Å; R733-K737 WeakPolarHBondContact O-CG 3.42Å; R733-K737 PolarHBondContact O-N 3.4Å; V734-K737 PolarHBondContact O-N 3.37Å; V734-K737 VanDerWaalsContact O-N 3.13Å; C735-K737 VanDerWaalsContact C-N 3.32Å; C735-K737 PolarHBondContact O-N 2.78Å; K737-A739 VanDerWaalsContact C-N 3.27Å; K737-A739 PolarHBondContact O-N 3.45Å; K737-S740 WeakPolarHBondContact CA-OG 3.5Å; K737-S740 PolarHBondContact O-N 3.5Å; K737-S740 PolarHBondContact O-OG 2.97Å; K737-H741 WeakPolarHBondContact O-CB 3.48Å; K737-H741 PolarHBondContact O-CD2 3.43Å; K737-H741 PolarHBondContact O-N 3.3Å
738I83.3Confident81.3Confident8 Ų852.6 Ų52.64%0.04126%0.256CS..Hα-helixtrans-58.2-43.1172.7-68.3163.9000110.6F449 C650 M723 V734 C735 K742 L743F449-I738 HydrophobicContact CE1-CB 4.42Å; F449-I738 HydrophobicContact CE1-CD1 4.34Å; F449-I738 HydrophobicContact CE1-CG2 4.23Å; F449-I738 HydrophobicContact CZ-CB 4.09Å; F449-I738 HydrophobicContact CZ-CG2 4.07Å; C650-I738 HydrophobicContact CB-CD1 4.15Å; C650-I738 HydrophobicContact CB-CG1 3.8Å; M723-I738 HydrophobicContact CE-CD1 4.47Å; M723-I738 HydrophobicContact SD-CD1 3.45Å; M723-I738 WeakPolarHBondContact SD-CD1 3.39Å; V734-I738 HydrophobicContact CG1-CD1 3.92Å; V734-I738 HydrophobicContact CG1-CG1 4.41Å; V734-I738 WeakPolarHBondContact O-CG1 3.18Å; V734-I738 PolarHBondContact O-N 2.89Å; C735-I738 PolarHBondContact O-N 3.26Å; I738-K742 PolarHBondContact O-N 3.3Å; I738-L743 HydrophobicContact CB-CD1 4.47Å; I738-L743 HydrophobicContact CG1-CD1 4.08Å; I738-L743 HydrophobicContact CG2-CB 4.49Å; I738-L743 PolarHBondContact O-N 3.38Å
739A81.6Confident81.1Confident25 Ų2550.8 Ų50.821%0.20724%0.243CC..Hα-helixtrans-72-43.5179.100000112.8F449 C735 R736 K737 K742F449-A739 HydrophobicContact CE2-CB 4.34Å; C735-A739 PolarHBondContact O-N 2.94Å; R736-A739 PolarHBondContact O-N 2.62Å; K737-A739 VanDerWaalsContact C-N 3.27Å; K737-A739 PolarHBondContact O-N 3.45Å; A739-K742 PolarHBondContact O-N 3.03Å
740S80.4Confident80.9Confident74 Ų7453.3 Ų53.352%0.51726%0.255SS..Hα-helixtrans-68.5-38.8-177.761.70000113.1R736 K737 K742R736-S740 PolarHBondContact O-N 3.27Å; R736-S740 PolarHBondContact O-OG 2.95Å; K737-S740 WeakPolarHBondContact CA-OG 3.5Å; K737-S740 PolarHBondContact O-N 3.5Å; K737-S740 PolarHBondContact O-OG 2.97Å; S740-K742 VanDerWaalsContact C-N 3.32Å
741H76.8Confident80.8Confident59 Ų5957.7 Ų57.727%0.27328%0.275SS..THydrogen-bonded Turntrans-86.81.9179-71.2-92.1000113.6P616 D618 K737 L743P616-H741 HydrophobicContact CG-CB 4.38Å; D618-H741 IonicContact OD1-CD2 2.93Å; D618-H741 IonicContact OD1-CE1 3.48Å; D618-H741 IonicContact OD1-NE2 3.59Å; D618-H741 PolarHBondContact OD1-NE2 2.8Å; K737-H741 WeakPolarHBondContact O-CB 3.48Å; K737-H741 PolarHBondContact O-CD2 3.43Å; K737-H741 PolarHBondContact O-N 3.3Å; H741-L743 HydrophobicContact CB-CD2 3.87Å; H741-L743 HydrophobicContact CB-CG 4.04Å; H741-L743 PolarHBondContact O-N 2.85Å; H741-L743 VanDerWaalsContact O-N 3.16Å
742K78.8Confident80.5Confident102 Ų10257.9 Ų57.944%0.44328%0.276SS..THydrogen-bonded Turntrans48.941.7179.9-60.4-173.7175.3-170.40113.5I738 A739 S740 C744 S745 S748I738-K742 PolarHBondContact O-N 3.3Å; A739-K742 PolarHBondContact O-N 3.03Å; S740-K742 VanDerWaalsContact C-N 3.32Å; K742-C744 PolarHBondContact O-N 3.39Å; K742-S745 VanDerWaalsContact O-CB 3.28Å; K742-S745 WeakPolarHBondContact O-CB 3.41Å; K742-S745 PolarHBondContact O-N 3.21Å; K742-S745 PolarHBondContact O-OG 2.99Å; K742-S745 VanDerWaalsContact O-OG 3.13Å; K742-S748 PolarHBondContact O-OG 3.22Å
743L76.8Confident80.3Confident4 Ų453.2 Ų53.22%0.02126%0.261CS..THydrogen-bonded Turntrans-61-19.2-174.6-62.4-176.5000114P616 E647 C650 I738 H741 L749P616-L743 HydrophobicContact CG-CD1 3.72Å; P616-L743 HydrophobicContact CG-CD2 4Å; P616-L743 HydrophobicContact CG-CG 4.32Å; E647-L743 VanDerWaalsContact O-CD2 3.24Å; E647-L743 WeakPolarHBondContact O-CD2 3.44Å; C650-L743 HydrophobicContact CB-CD1 3.88Å; I738-L743 HydrophobicContact CB-CD1 4.47Å; I738-L743 HydrophobicContact CG1-CD1 4.08Å; I738-L743 HydrophobicContact CG2-CB 4.49Å; I738-L743 PolarHBondContact O-N 3.38Å; H741-L743 HydrophobicContact CB-CD2 3.87Å; H741-L743 HydrophobicContact CB-CG 4.04Å; H741-L743 PolarHBondContact O-N 2.85Å; H741-L743 VanDerWaalsContact O-N 3.16Å; L743-L749 WeakPolarHBondContact O-CD2 3.33Å; L743-L749 WeakPolarHBondContact O-CG 3.45Å
744C72.4Confident80.2Confident20 Ų2053.9 Ų53.914%0.13527%0.269CS..THydrogen-bonded Turntrans-96.210178.4-56.90000113.6L456 K742 L749L456-C744 HydrophobicContact CD2-CB 3.32Å; L456-C744 WeakPolarHBondContact CD2-SG 3.33Å; K742-C744 PolarHBondContact O-N 3.39Å; C744-L749 WeakPolarHBondContact O-CD1 3.49Å
745S75.5Confident80.2Confident38 Ų3854.3 Ų54.327%0.26627%0.272SS..SBendtrans-68.8150.7168.976.80000110.8K742 E747 S748 L749K742-S745 VanDerWaalsContact O-CB 3.28Å; K742-S745 WeakPolarHBondContact O-CB 3.41Å; K742-S745 PolarHBondContact O-N 3.21Å; K742-S745 PolarHBondContact O-OG 2.99Å; K742-S745 VanDerWaalsContact O-OG 3.13Å; S745-E747 PolarHBondContact O-N 3.09Å; S745-S748 PolarHBondContact O-N 3.1Å; S745-S748 WeakPolarHBondContact OG-CB 3.24Å; S745-S748 PolarHBondContact OG-N 3Å; S745-S748 PolarHBondContact OG-OG 2.78Å; S745-L749 WeakPolarHBondContact O-CB 3.34Å; S745-L749 VanDerWaalsContact O-CG 3.22Å; S745-L749 WeakPolarHBondContact O-CG 3.3Å; S745-L749 PolarHBondContact O-N 2.99Å
746N73.6Confident80.2Confident72 Ų7254.5 Ų54.539%0.38527%0.273SS..Hα-helixtrans-59.5-32.8-179.1-74.5-47000112.6D459 Q750D459-N746 VanDerWaalsContact CG-ND2 3.33Å; D459-N746 PolarHBondContact OD1-ND2 2.92Å; D459-N746 VanDerWaalsContact OD1-ND2 3.1Å; D459-N746 PolarHBondContact OD2-ND2 3.33Å; N746-Q750 VanDerWaalsContact O-CG 3.27Å; N746-Q750 WeakPolarHBondContact O-CG 3.41Å; N746-Q750 PolarHBondContact O-N 3.16Å
747E78.2Confident80.1Confident156 Ų15653.7 Ų53.773%0.72927%0.27SS*.Hα-helixtrans-68.9-53.8178-65.3178.2177.100111S745 L749 Q750 E751S745-E747 PolarHBondContact O-N 3.09Å; E747-L749 VanDerWaalsContact C-N 3.25Å; E747-L749 PolarHBondContact O-N 2.78Å; E747-Q750 PolarHBondContact O-N 3.14Å; E747-E751 PolarHBondContact O-N 3.31Å; E747-E751 VanDerWaalsContact O-N 3.08Å
748S78.8Confident80.3Confident17 Ų1758.3 Ų58.312%0.11929%0.29CS..Hα-helixtrans-60.4-35.3178.7-54.40000112.3K742 S745 E751 L752K742-S748 PolarHBondContact O-OG 3.22Å; S745-S748 PolarHBondContact O-N 3.1Å; S745-S748 WeakPolarHBondContact OG-CB 3.24Å; S745-S748 PolarHBondContact OG-N 3Å; S745-S748 PolarHBondContact OG-OG 2.78Å; S748-E751 PolarHBondContact O-N 3.41Å; S748-L752 VanDerWaalsContact O-CB 3.24Å; S748-L752 WeakPolarHBondContact O-CB 3.26Å; S748-L752 PolarHBondContact O-N 3.13Å
749L79.4Confident80.4Confident4 Ų458.1 Ų58.12%0.02129%0.289CS..Hα-helixtrans-72.5-26.8178-66.6169.9000113.3L497 Q517 I519 L743 C744 S745 E747 L752 L753L497-L749 HydrophobicContact CD1-CD1 4.31Å; L497-L749 HydrophobicContact CD1-CD2 3.74Å; Q517-L749 HydrophobicContact CB-CD2 4.45Å; Q517-L749 HydrophobicContact CG-CB 4.34Å; Q517-L749 PolarHBondContact NE2-O 2.79Å; Q517-L749 VanDerWaalsContact OE1-CD1 3.22Å; I519-L749 HydrophobicContact CD1-CD2 4.27Å; I519-L749 HydrophobicContact CG1-CD2 4.42Å; L743-L749 WeakPolarHBondContact O-CD2 3.33Å; L743-L749 WeakPolarHBondContact O-CG 3.45Å; C744-L749 WeakPolarHBondContact O-CD1 3.49Å; S745-L749 WeakPolarHBondContact O-CB 3.34Å; S745-L749 VanDerWaalsContact O-CG 3.22Å; S745-L749 WeakPolarHBondContact O-CG 3.3Å; S745-L749 PolarHBondContact O-N 2.99Å; E747-L749 VanDerWaalsContact C-N 3.25Å; E747-L749 PolarHBondContact O-N 2.78Å; L749-L752 HydrophobicContact CD2-CD2 4.01Å; L749-L753 PolarHBondContact O-N 3.38Å
750Q80.5Confident80.6Confident116 Ų11657.6 Ų57.654%0.54228%0.284SS..Hα-helixtrans-73.7-40.2171.3-69.9-63.3-2500111.3N746 E747 L753 H754N746-Q750 VanDerWaalsContact O-CG 3.27Å; N746-Q750 WeakPolarHBondContact O-CG 3.41Å; N746-Q750 PolarHBondContact O-N 3.16Å; E747-Q750 PolarHBondContact O-N 3.14Å; Q750-L753 PolarHBondContact O-N 2.95Å; Q750-H754 PolarHBondContact O-N 3.21Å; Q750-H754 VanDerWaalsContact O-N 3.07Å
751E82.6Confident80.9Confident100 Ų10060 Ų6047%0.46729%0.29SS..Hα-helixtrans-65-43174.7-70.1-179.6151.800111.4H648 E747 S748 L753 H754 S755H648-E751 IonicContact CD2-OE2 3.81Å; H648-E751 PolarHBondContact CD2-OE2 3.49Å; H648-E751 IonicContact CE1-OE2 3.6Å; H648-E751 IonicContact NE2-OE2 3.88Å; H648-E751 PolarHBondContact NE2-OE2 3.23Å; H648-E751 VanDerWaalsContact NE2-OE2 3.1Å; E747-E751 PolarHBondContact O-N 3.31Å; E747-E751 VanDerWaalsContact O-N 3.08Å; S748-E751 PolarHBondContact O-N 3.41Å; E751-L753 VanDerWaalsContact C-N 3.28Å; E751-L753 PolarHBondContact O-N 3.22Å; E751-H754 PolarHBondContact O-N 3.34Å; E751-H754 VanDerWaalsContact O-N 3.14Å; E751-S755 WeakPolarHBondContact O-CB 3.39Å; E751-S755 PolarHBondContact O-N 3.33Å
752L83.3Confident81.4Confident7 Ų759.9 Ų59.94%0.03729%0.289CS..Hα-helixtrans-51.9-47170.3173.861000111.5I519 H648 Q649 S748 L749 H754 S755 S756I519-L752 HydrophobicContact CG1-CD2 3.88Å; H648-L752 HydrophobicContact CB-CB 4.44Å; Q649-L752 HydrophobicContact CB-CD1 4.43Å; Q649-L752 HydrophobicContact CG-CD1 3.32Å; S748-L752 VanDerWaalsContact O-CB 3.24Å; S748-L752 WeakPolarHBondContact O-CB 3.26Å; S748-L752 PolarHBondContact O-N 3.13Å; L749-L752 HydrophobicContact CD2-CD2 4.01Å; L752-H754 PolarHBondContact O-N 3.36Å; L752-S755 PolarHBondContact O-N 3.46Å; L752-S756 VanDerWaalsContact O-CB 3.22Å; L752-S756 WeakPolarHBondContact O-CB 3.42Å; L752-S756 PolarHBondContact O-N 2.95Å; L752-S756 PolarHBondContact O-OG 3.48Å; L752-S756 VanDerWaalsContact O-OG 3.05Å
753L82Confident81.8Confident29 Ų2955 Ų5515%0.15227%0.268CS..Hα-helixtrans-64.1-42.6179.9-178.2160000111.6C514 L749 Q750 E751 R757C514-L753 VanDerWaalsContact O-CD1 3.28Å; C514-L753 WeakPolarHBondContact O-CD1 3.3Å; L749-L753 PolarHBondContact O-N 3.38Å; Q750-L753 PolarHBondContact O-N 2.95Å; E751-L753 VanDerWaalsContact C-N 3.28Å; E751-L753 PolarHBondContact O-N 3.22Å; L753-R757 VanDerWaalsContact O-CG 3.31Å; L753-R757 WeakPolarHBondContact O-CG 3.21Å; L753-R757 PolarHBondContact O-N 2.93Å; L753-R757 VanDerWaalsContact O-N 3.15Å
754H83.8Confident82.3Confident132 Ų13258.3 Ų58.361%0.61129%0.285SS*.Hα-helixtrans-63.6-44.6175.5-174.972.1000111.8Q750 E751 L752 R757 K758Q750-H754 PolarHBondContact O-N 3.21Å; Q750-H754 VanDerWaalsContact O-N 3.07Å; E751-H754 PolarHBondContact O-N 3.34Å; E751-H754 VanDerWaalsContact O-N 3.14Å; L752-H754 PolarHBondContact O-N 3.36Å; H754-R757 PolarHBondContact O-N 2.55Å; H754-K758 PolarHBondContact O-N 3.5Å
755S84.1Confident83Confident9 Ų961 Ų616%0.06330%0.304CS..Hα-helixtrans-63.2-50.5179.8-177.10000112.5D645 E751 L752 R757 K758 L759D645-S755 WeakPolarHBondContact CB-OG 3.43Å; D645-S755 WeakPolarHBondContact OD2-CB 3.45Å; D645-S755 PolarHBondContact OD2-OG 3.33Å; E751-S755 WeakPolarHBondContact O-CB 3.39Å; E751-S755 PolarHBondContact O-N 3.33Å; L752-S755 PolarHBondContact O-N 3.46Å; S755-R757 VanDerWaalsContact C-N 3.29Å; S755-R757 PolarHBondContact O-N 3.37Å; S755-K758 WeakPolarHBondContact O-CB 3.34Å; S755-K758 PolarHBondContact O-N 3.04Å; S755-K758 VanDerWaalsContact O-N 3.08Å; S755-L759 PolarHBondContact O-N 3.03Å
756S84.1Confident83.6Confident13 Ų1359.9 Ų59.99%0.09130%0.295CS..Hα-helixtrans-58.3-39.3176-70.50000112.1Q649 L752 S760Q649-S756 PolarHBondContact NE2-OG 3.34Å; L752-S756 VanDerWaalsContact O-CB 3.22Å; L752-S756 WeakPolarHBondContact O-CB 3.42Å; L752-S756 PolarHBondContact O-N 2.95Å; L752-S756 PolarHBondContact O-OG 3.48Å; L752-S756 VanDerWaalsContact O-OG 3.05Å; S756-S760 VanDerWaalsContact O-CB 3.3Å; S756-S760 WeakPolarHBondContact O-CB 3.45Å; S756-S760 PolarHBondContact O-N 3.24Å; S756-S760 PolarHBondContact O-OG 2.94Å
757R83.7Confident84.2Confident125 Ų12556.7 Ų56.747%0.47228%0.277SS..Hα-helixtrans-64.8-45.2173.7-76177.1177.9172.30.4112.1C514 L753 H754 S755 S760 L761C514-R757 PolarHBondContact SG-NH2 2.96Å; C514-R757 VanDerWaalsContact SG-NH2 3.42Å; L753-R757 VanDerWaalsContact O-CG 3.31Å; L753-R757 WeakPolarHBondContact O-CG 3.21Å; L753-R757 PolarHBondContact O-N 2.93Å; L753-R757 VanDerWaalsContact O-N 3.15Å; H754-R757 PolarHBondContact O-N 2.55Å; S755-R757 VanDerWaalsContact C-N 3.29Å; S755-R757 PolarHBondContact O-N 3.37Å; R757-S760 PolarHBondContact O-N 2.92Å; R757-L761 WeakPolarHBondContact O-CG 3.25Å; R757-L761 PolarHBondContact O-N 3.14Å
758K86.6Confident84.5Confident114 Ų11454.5 Ų54.550%0.49627%0.267SS..Hα-helixtrans-62.3-44.5178.2-175-178.1-178.4-176.40111.3H754 S755 L761 K762H754-K758 PolarHBondContact O-N 3.5Å; S755-K758 WeakPolarHBondContact O-CB 3.34Å; S755-K758 PolarHBondContact O-N 3.04Å; S755-K758 VanDerWaalsContact O-N 3.08Å; K758-L761 PolarHBondContact O-N 3.44Å; K758-K762 WeakPolarHBondContact O-CG 3.34Å; K758-K762 PolarHBondContact O-N 3.02Å; K758-K762 VanDerWaalsContact O-N 3.13Å
759L85.8Confident84.8Confident5 Ų557.1 Ų57.13%0.02629%0.286CS..Hα-helixtrans-60.7-48175.1-179.861.9000110.9F531 Y534 V644 F721 S755 L761 K762 V763F531-L759 HydrophobicContact CE2-CD1 4.32Å; Y534-L759 HydrophobicContact CE1-CD1 4.19Å; V644-L759 HydrophobicContact CB-CD1 4.4Å; V644-L759 HydrophobicContact CG1-CD1 3.95Å; V644-L759 HydrophobicContact CG1-CD2 3.77Å; V644-L759 HydrophobicContact CG2-CD1 4.26Å; F721-L759 HydrophobicContact CE2-CD2 4.44Å; F721-L759 HydrophobicContact CZ-CD2 4.23Å; S755-L759 PolarHBondContact O-N 3.03Å; L759-L761 VanDerWaalsContact C-N 3.34Å; L759-L761 PolarHBondContact O-N 3.15Å; L759-K762 PolarHBondContact O-N 3.44Å; L759-K762 VanDerWaalsContact O-N 3.15Å; L759-V763 HydrophobicContact CD1-CG2 4.1Å; L759-V763 HydrophobicContact CG-CG2 4.37Å; L759-V763 WeakPolarHBondContact O-CG2 3.37Å; L759-V763 PolarHBondContact O-N 3.05Å
760S85.9Confident84.7Confident14 Ų1458.7 Ų58.710%0.09829%0.292CS..Hα-helixtrans-57.3-45.9179.4-59.70000111.9I523 S756 R757 K762 V763 L764I523-S760 WeakPolarHBondContact CG2-OG 3.43Å; S756-S760 VanDerWaalsContact O-CB 3.3Å; S756-S760 WeakPolarHBondContact O-CB 3.45Å; S756-S760 PolarHBondContact O-N 3.24Å; S756-S760 PolarHBondContact O-OG 2.94Å; R757-S760 PolarHBondContact O-N 2.92Å; S760-K762 PolarHBondContact O-N 3.38Å; S760-V763 PolarHBondContact O-N 3.01Å; S760-L764 WeakPolarHBondContact O-CB 3.17Å; S760-L764 VanDerWaalsContact O-CG 3.25Å; S760-L764 WeakPolarHBondContact O-CG 3.47Å; S760-L764 PolarHBondContact O-N 3.16Å
761L86.9Confident84.4Confident123 Ų12356 Ų5664%0.64428%0.28SS*.Hα-helixtrans-63.5-39.4177.5-70.6172.9000112.8R757 K758 L759 S765R757-L761 WeakPolarHBondContact O-CG 3.25Å; R757-L761 PolarHBondContact O-N 3.14Å; K758-L761 PolarHBondContact O-N 3.44Å; L759-L761 VanDerWaalsContact C-N 3.34Å; L759-L761 PolarHBondContact O-N 3.15Å; L761-S765 WeakPolarHBondContact O-CB 3.43Å; L761-S765 PolarHBondContact O-N 3.35Å; L761-S765 PolarHBondContact O-OG 3.34Å
762K87.8Confident83.1Confident58 Ų5857.3 Ų57.325%0.25229%0.29SS..Hα-helixtrans-67.1-41176.6-71.6178.2-177.8-1790112.3Y534 H643 K758 L759 S760 S765 F766Y534-K762 HydrophobicContact CE2-CB 4.44Å; Y534-K762 WeakPolarHBondContact OH-CD 3.41Å; H643-K762 PolarHBondContact O-NZ 2.92Å; K758-K762 WeakPolarHBondContact O-CG 3.34Å; K758-K762 PolarHBondContact O-N 3.02Å; K758-K762 VanDerWaalsContact O-N 3.13Å; L759-K762 PolarHBondContact O-N 3.44Å; L759-K762 VanDerWaalsContact O-N 3.15Å; S760-K762 PolarHBondContact O-N 3.38Å; K762-S765 PolarHBondContact O-OG 3.46Å; K762-F766 WeakPolarHBondContact O-CB 3.34Å; K762-F766 PolarHBondContact O-N 2.69Å
763V86.2Confident81.3Confident0 Ų060.2 Ų60.20%032%0.322CS..Hα-helixtrans-68.4-45178.6173.90000109.9I523 E525 F531 Y534 L759 S760 S765 F766 V767I523-V763 HydrophobicContact CD1-CB 4.3Å; I523-V763 HydrophobicContact CD1-CG1 4.29Å; E525-V763 HydrophobicContact CB-CG1 3.84Å; F531-V763 HydrophobicContact CD2-CG2 3.95Å; F531-V763 HydrophobicContact CE2-CG2 4.03Å; Y534-V763 HydrophobicContact CD1-CG2 3.98Å; Y534-V763 HydrophobicContact CE1-CG2 4.02Å; Y534-V763 HydrophobicContact CG-CG2 4.3Å; L759-V763 HydrophobicContact CD1-CG2 4.1Å; L759-V763 HydrophobicContact CG-CG2 4.37Å; L759-V763 WeakPolarHBondContact O-CG2 3.37Å; L759-V763 PolarHBondContact O-N 3.05Å; S760-V763 PolarHBondContact O-N 3.01Å; V763-S765 PolarHBondContact O-N 2.83Å; V763-F766 WeakPolarHBondContact O-CB 3.41Å; V763-F766 PolarHBondContact O-N 3.01Å; V763-V767 HydrophobicContact CG1-CG2 4.4Å; V763-V767 WeakPolarHBondContact O-CB 3.45Å; V763-V767 VanDerWaalsContact O-CG2 3.27Å; V763-V767 WeakPolarHBondContact O-CG2 3.45Å; V763-V767 PolarHBondContact O-N 3.23Å
764L87.2Confident79.3Confident73 Ų7362.1 Ų62.138%0.38235%0.348SS..Hα-helixtrans-63.1-41177.3-70.8171.5000112.4I523 E525 S760 V767 H768I523-L764 HydrophobicContact CD1-CD2 4.32Å; I523-L764 HydrophobicContact CD1-CG 4.03Å; E525-L764 HydrophobicContact CG-CD2 4.12Å; S760-L764 WeakPolarHBondContact O-CB 3.17Å; S760-L764 VanDerWaalsContact O-CG 3.25Å; S760-L764 WeakPolarHBondContact O-CG 3.47Å; S760-L764 PolarHBondContact O-N 3.16Å; L764-V767 PolarHBondContact O-N 3.08Å; L764-H768 WeakPolarHBondContact O-CB 3.34Å; L764-H768 PolarHBondContact O-N 2.83Å
765S87.4Confident76.6Confident77 Ų7764.7 Ų64.754%0.53836%0.361SS..Hα-helixtrans-66.8-37.7176.368.20000112.4L761 K762 V763 H768 S769L761-S765 WeakPolarHBondContact O-CB 3.43Å; L761-S765 PolarHBondContact O-N 3.35Å; L761-S765 PolarHBondContact O-OG 3.34Å; K762-S765 PolarHBondContact O-OG 3.46Å; V763-S765 PolarHBondContact O-N 2.83Å; S765-H768 PolarHBondContact O-N 3.34Å; S765-S769 PolarHBondContact O-N 2.92Å; S765-S769 VanDerWaalsContact O-N 3.11Å
766F87.4Confident74.3Confident14 Ų1470.2 Ų70.26%0.06140%0.396CS..Hα-helixtrans-60.6-50.3171.9173-95.5000111.2W530 L533 Y534 H537 K762 V763 H768 S769 F770 L810W530-F766 HydrophobicContact CE3-CE1 4.19Å; L533-F766 HydrophobicContact CB-CE1 4.33Å; L533-F766 HydrophobicContact CB-CZ 4.26Å; Y534-F766 HydrophobicContact CD2-CB 3.83Å; Y534-F766 HydrophobicContact CD2-CD1 4.06Å; Y534-F766 AromaticContact CD2-CD2 3.92Å; Y534-F766 HydrophobicContact CD2-CD2 3.92Å; Y534-F766 HydrophobicContact CD2-CE2 4.47Å; Y534-F766 AromaticContact CD2-CG 3.68Å; Y534-F766 HydrophobicContact CD2-CG 3.68Å; Y534-F766 HydrophobicContact CE2-CB 4.3Å; Y534-F766 HydrophobicContact CG-CD1 4.47Å; H537-F766 HydrophobicContact CB-CE2 3.82Å; H537-F766 HydrophobicContact CB-CZ 4.33Å; H537-F766 AromaticContact CD2-CE2 3.94Å; H537-F766 AromaticContact CG-CE2 3.79Å; K762-F766 WeakPolarHBondContact O-CB 3.34Å; K762-F766 PolarHBondContact O-N 2.69Å; V763-F766 WeakPolarHBondContact O-CB 3.41Å; V763-F766 PolarHBondContact O-N 3.01Å; F766-H768 VanDerWaalsContact C-N 3.34Å; F766-H768 PolarHBondContact O-N 2.9Å; F766-S769 PolarHBondContact O-N 2.91Å; F766-S769 VanDerWaalsContact O-N 3.16Å; F766-S769 PolarHBondContact O-OG 3.21Å; F766-F770 HydrophobicContact CD2-CD2 4.41Å; F766-F770 AromaticContact CD2-CE2 3.72Å; F766-F770 HydrophobicContact CD2-CE2 3.72Å; F766-F770 HydrophobicContact CE1-CD2 4.36Å; F766-F770 HydrophobicContact CE1-CE2 4.29Å; F766-F770 HydrophobicContact CE2-CD2 4.21Å; F766-F770 AromaticContact CE2-CE2 3.39Å; F766-F770 HydrophobicContact CE2-CE2 3.39Å; F766-F770 HydrophobicContact CE2-CZ 4.2Å; F766-F770 HydrophobicContact CG-CE2 4.32Å; F766-F770 HydrophobicContact CZ-CD2 4.17Å; F766-F770 AromaticContact CZ-CE2 3.7Å; F766-F770 HydrophobicContact CZ-CE2 3.7Å; F766-F770 VanDerWaalsContact O-CD2 3.24Å; F766-F770 WeakPolarHBondContact O-CD2 3.14Å; F766-L810 HydrophobicContact CE2-CD2 3.96Å; F766-L810 HydrophobicContact CZ-CD2 3.6Å
767V86.3Confident71.8Confident4 Ų475.1 Ų75.12%0.02443%0.43CS..Hα-helixtrans-58.8-44.8178.6169.70000111.4W530 V763 L764 S769 F770 Q771 P797W530-V767 HydrophobicContact CB-CG2 3.72Å; W530-V767 HydrophobicContact CD2-CG1 4.45Å; W530-V767 HydrophobicContact CD2-CG2 3.93Å; W530-V767 HydrophobicContact CE3-CG2 4.38Å; W530-V767 HydrophobicContact CG-CG2 3.64Å; V763-V767 HydrophobicContact CG1-CG2 4.4Å; V763-V767 WeakPolarHBondContact O-CB 3.45Å; V763-V767 VanDerWaalsContact O-CG2 3.27Å; V763-V767 WeakPolarHBondContact O-CG2 3.45Å; V763-V767 PolarHBondContact O-N 3.23Å; L764-V767 PolarHBondContact O-N 3.08Å; V767-S769 VanDerWaalsContact C-N 3.3Å; V767-S769 PolarHBondContact O-N 3.18Å; V767-F770 PolarHBondContact O-N 3.48Å; V767-Q771 WeakPolarHBondContact O-CG 3.46Å; V767-P797 HydrophobicContact CG1-CG 3.56Å
768H84.9Confident69.2Low110 Ų11075.5 Ų75.551%0.50944%0.442SS..Hα-helixtrans-61-37177.7-171-72.6000112.7L764 S765 F766 F770 Q771 D772L764-H768 WeakPolarHBondContact O-CB 3.34Å; L764-H768 PolarHBondContact O-N 2.83Å; S765-H768 PolarHBondContact O-N 3.34Å; F766-H768 VanDerWaalsContact C-N 3.34Å; F766-H768 PolarHBondContact O-N 2.9Å; H768-F770 PolarHBondContact O-N 2.85Å; H768-Q771 PolarHBondContact O-N 2.79Å; H768-Q771 VanDerWaalsContact O-N 3.11Å; H768-D772 IonicContact CE1-OD2 2.77Å; H768-D772 PolarHBondContact CE1-OD2 3.1Å; H768-D772 IonicContact ND1-OD2 3.21Å; H768-D772 IonicContact NE2-OD2 3.03Å
769S84.8Confident66.6Low73 Ų7375.8 Ų75.851%0.5146%0.455SS..Hα-helixtrans-63.3-22.6-178.974.50000114.1S765 F766 V767S765-S769 PolarHBondContact O-N 2.92Å; S765-S769 VanDerWaalsContact O-N 3.11Å; F766-S769 PolarHBondContact O-N 2.91Å; F766-S769 VanDerWaalsContact O-N 3.16Å; F766-S769 PolarHBondContact O-OG 3.21Å; V767-S769 VanDerWaalsContact C-N 3.3Å; V767-S769 PolarHBondContact O-N 3.18Å
770F78.4Confident64Low37 Ų3783 Ų8316%0.16249%0.493CS..THydrogen-bonded Turntrans-105.89.9178.6-62.4-71.5000113W530 F766 V767 H768 S800 I801 L803 L810W530-F770 HydrophobicContact CH2-CB 4.06Å; W530-F770 HydrophobicContact CZ3-CB 4.12Å; F766-F770 HydrophobicContact CD2-CD2 4.41Å; F766-F770 AromaticContact CD2-CE2 3.72Å; F766-F770 HydrophobicContact CD2-CE2 3.72Å; F766-F770 HydrophobicContact CE1-CD2 4.36Å; F766-F770 HydrophobicContact CE1-CE2 4.29Å; F766-F770 HydrophobicContact CE2-CD2 4.21Å; F766-F770 AromaticContact CE2-CE2 3.39Å; F766-F770 HydrophobicContact CE2-CE2 3.39Å; F766-F770 HydrophobicContact CE2-CZ 4.2Å; F766-F770 HydrophobicContact CG-CE2 4.32Å; F766-F770 HydrophobicContact CZ-CD2 4.17Å; F766-F770 AromaticContact CZ-CE2 3.7Å; F766-F770 HydrophobicContact CZ-CE2 3.7Å; F766-F770 VanDerWaalsContact O-CD2 3.24Å; F766-F770 WeakPolarHBondContact O-CD2 3.14Å; V767-F770 PolarHBondContact O-N 3.48Å; H768-F770 PolarHBondContact O-N 2.85Å; F770-S800 PolarHBondContact O-OG 3.42Å; F770-I801 HydrophobicContact CB-CD1 3.99Å; F770-I801 HydrophobicContact CB-CG1 4.46Å; F770-I801 HydrophobicContact CD1-CD1 3.87Å; F770-I801 HydrophobicContact CG-CD1 4.42Å; F770-I801 WeakPolarHBondContact O-CG1 3.47Å; F770-L803 HydrophobicContact CB-CD1 4.25Å; F770-L803 HydrophobicContact CD1-CD1 4.25Å; F770-L803 HydrophobicContact CD1-CD2 3.7Å; F770-L803 HydrophobicContact CE1-CD2 4.1Å; F770-L803 HydrophobicContact CG-CD1 4.11Å; F770-L803 HydrophobicContact CG-CD2 4.36Å; F770-L810 HydrophobicContact CE1-CD2 4.4Å; F770-L810 HydrophobicContact CE2-CD2 4.03Å; F770-L810 HydrophobicContact CZ-CD2 3.8Å
771Q72.6Confident61.3Low59 Ų5986.8 Ų86.828%0.27652%0.52SS..THydrogen-bonded Turntrans-100.9-37.9175.9-76.8172.93.300112.9V767 H768 G773 S800V767-Q771 WeakPolarHBondContact O-CG 3.46Å; H768-Q771 PolarHBondContact O-N 2.79Å; H768-Q771 VanDerWaalsContact O-N 3.11Å; Q771-G773 PolarHBondContact O-N 3.45Å; Q771-S800 WeakPolarHBondContact CA-OG 3.48Å; Q771-S800 PolarHBondContact O-OG 3.03Å
772D56.2Low58.6Low127 Ų12784.9 Ų84.968%0.67953%0.531SS*.  trans-8080.2-179.1-86.9-21.1000112.6H768H768-D772 IonicContact CE1-OD2 2.77Å; H768-D772 PolarHBondContact CE1-OD2 3.1Å; H768-D772 IonicContact ND1-OD2 3.21Å; H768-D772 IonicContact NE2-OD2 3.03Å
773G45.6Very low55.6Low69 Ų6987.2 Ų87.271%0.71155%0.549SS*.  trans-97.268.8162.500000111.9Q771Q771-G773 PolarHBondContact O-N 3.45Å
774G39.1Very low52.7Low68 Ų6893 Ų9370%0.70159%0.589SS**SBendtrans103.581.6154.700000119.7
775Q28.6Very low49.7Very low187 Ų18795.3 Ų95.387%0.87460%0.602SS**  -148.4130.3127.8-84.1-155.9-22.700109.3S777Q775-S777 PolarHBondContact O-N 3.45Å
776P34.7Very low46.8Very low125 Ų12597 Ų9781%0.81261%0.611SS**PPolyproline II helixtrans-69.1128.216529.4-28.8000108.1D778P776-D778 PolarHBondContact O-N 2.91Å
777S31.5Very low44.2Very low115 Ų115104.6 Ų104.680%0.80465%0.652SS**PPolyproline II helixtrans-58.9118.4170.3350000109.7Q775Q775-S777 PolarHBondContact O-N 3.45Å
778D28.5Very low41.2Very low134 Ų134109 Ų10972%0.71768%0.682SS**PPolyproline II helixtrans-63.8122.1169.8-139.9-10000107.8P776 D780P776-D778 PolarHBondContact O-N 2.91Å; D778-D780 PolarHBondContact O-N 3.13Å
779P33.7Very low38.6Very low119 Ų119112.1 Ų112.177%0.77370%0.698SS**THydrogen-bonded Turntrans-72.94.9-170.426.8-32.3000115
780D30.4Very low35.8Very low156 Ų156113.2 Ų113.283%0.83470%0.703SS**THydrogen-bonded Turntrans-104.65.6-173.7-89.2-12.4000115.9D778 G782D778-D780 PolarHBondContact O-N 3.13Å; D780-G782 PolarHBondContact O-N 3.32Å
781S29.9Very low33.4Very low95 Ų95116.1 Ų116.166%0.66473%0.725SS**  trans-93.893.8166.568.60000110.6V783S781-V783 PolarHBondContact O-N 3.29Å
782G28.5Very low31.7Very low83 Ų83117.7 Ų117.786%0.85675%0.748SS**  trans-66.857178.600000115.4D780D780-G782 PolarHBondContact O-N 3.32Å
783V26.7Very low30.7Very low107 Ų107120.6 Ų120.665%0.64876%0.758SS**  trans-123.292.1168.3-173.10000108.4S781 N785S781-V783 PolarHBondContact O-N 3.29Å; V783-N785 VanDerWaalsContact C-N 3.34Å; V783-N785 PolarHBondContact O-N 2.76Å
784S24.3Very low30.7Very low120 Ų120120.2 Ų120.284%0.83974%0.744SS**  trans-65.792.7165.8-22.80000108.2P786S784-P786 WeakPolarHBondContact O-CD 3.18Å
785N23.8Very low31.8Very low123 Ų123118.8 Ų118.866%0.65873%0.729SS**  trans-82.1115.7169.4-92.5-6.9000109V783 L787V783-N785 VanDerWaalsContact C-N 3.34Å; V783-N785 PolarHBondContact O-N 2.76Å; N785-L787 PolarHBondContact O-N 2.84Å
786P28Very low33.8Very low112 Ų112111.3 Ų111.373%0.72770%0.697SS**  trans-72.9121.8167.429.5-28.5000108.4S784 S788S784-P786 WeakPolarHBondContact O-CD 3.18Å; P786-S788 PolarHBondContact O-N 3.3Å
787L31Very low35.7Very low174 Ų174107.1 Ų107.191%0.91167%0.67SS**  trans29.767.9159.4-77.9147.4000114.5N785 Q789N785-L787 PolarHBondContact O-N 2.84Å; L787-Q789 PolarHBondContact O-N 3.1Å; L787-Q789 VanDerWaalsContact O-N 3.07Å
788S25.1Very low38.1Very low95 Ų95106.3 Ų106.366%0.66466%0.655SS**  trans-70.6104.2169.348.60000108.3P786P786-S788 PolarHBondContact O-N 3.3Å
789Q28.8Very low40.6Very low177 Ų177100.3 Ų100.383%0.82762%0.624SS**PPolyproline II helixtrans-47.2137.8156.9-72.4177.1-30.400108.2L787L787-Q789 PolarHBondContact O-N 3.1Å; L787-Q789 VanDerWaalsContact O-N 3.07Å
790P27Very low42.8Very low95 Ų9597.7 Ų97.762%0.61761%0.609SS**PPolyproline II helixtrans-57.3144.9174.124.8-31.3000109A792P790-A792 PolarHBondContact O-N 3.15Å
791P28Very low45.3Very low99 Ų9991.9 Ų91.964%0.64358%0.577SS**PPolyproline II helixtrans-54.5143.3-179.121.3-31000110.4E793 S794P791-E793 PolarHBondContact O-N 2.87Å; P791-S794 PolarHBondContact O-N 3.34Å; P791-S794 PolarHBondContact O-OG 3.17Å
792A36.6Very low48Very low91 Ų9188.7 Ų88.775%0.75255%0.553SS**THydrogen-bonded Turntrans-53.1-11.4-174.500000115.4R509 P790R509-A792 PolarHBondContact NH1-O 3.45Å; R509-A792 VanDerWaalsContact NH1-O 3.14Å; P790-A792 PolarHBondContact O-N 3.15Å
793E35.8Very low50.8Low188 Ų18884.8 Ų84.888%0.87951%0.512SS*.THydrogen-bonded Turntrans-84.8-19.8179.4-65.5-174.6163.200114.7P791P791-E793 PolarHBondContact O-N 2.87Å
794S45.5Very low53.7Low61 Ų6181.2 Ų81.243%0.42749%0.489SS..  trans-91.4124.117956.50000111.7P791P791-S794 PolarHBondContact O-N 3.34Å; P791-S794 PolarHBondContact O-OG 3.17Å
795G61.5Low56.7Low38 Ų3875.7 Ų75.739%0.39245%0.45SS..  trans-68-167.8175.700000114.1R509R509-G795 VanDerWaalsContact NH2-CA 3.26Å
796V71.5Confident59.6Low31 Ų3174.4 Ų74.419%0.18844%0.439CS..SBendtrans-50.5125.4174.6-1770000108.4P524 E525 W572 L798P524-V796 HydrophobicContact CB-CG2 3.88Å; E525-V796 HydrophobicContact CG-CG1 4.37Å; W572-V796 HydrophobicContact CZ2-CB 4.34Å; W572-V796 HydrophobicContact CZ2-CG1 3.79Å; V796-L798 PolarHBondContact O-N 3.18Å
797P74.8Confident61.9Low37 Ų3775.7 Ų75.724%0.2444%0.439CS..PPolyproline II helixtrans-72.1137.3-164.231.5-39.9000111.2W530 W572 V767W530-P797 PolarHBondContact NE1-O 2.96Å; W572-P797 VanDerWaalsContact CZ2-O 3.25Å; W572-P797 WeakPolarHBondContact CZ2-O 3.39Å; V767-P797 HydrophobicContact CG1-CG 3.56Å
798L80.1Confident64.1Low97 Ų9768.8 Ų68.851%0.50841%0.411SS..PPolyproline II helixtrans-72.9148.1-175.7-69.6167.9000111.5W572 V796 S800W572-L798 HydrophobicContact CD2-CD2 3.86Å; W572-L798 HydrophobicContact CG-CD2 3.81Å; V796-L798 PolarHBondContact O-N 3.18Å; L798-S800 PolarHBondContact O-N 3.41Å
799P82.3Confident66.8Low8 Ų869.4 Ų69.45%0.05240%0.403CS..PPolyproline II helixtrans-67.8126.9173.728.2-34000110.8W530 L547 S549 W572 A596W530-P799 HydrophobicContact CH2-CB 3.97Å; W530-P799 HydrophobicContact CZ2-CB 3.83Å; L547-P799 HydrophobicContact CD1-CG 4.4Å; L547-P799 HydrophobicContact CD2-CB 3.78Å; L547-P799 HydrophobicContact CD2-CG 3.96Å; L547-P799 HydrophobicContact CG-CB 4.33Å; L547-P799 HydrophobicContact CG-CG 4.17Å; S549-P799 WeakPolarHBondContact CB-O 3.47Å; W572-P799 HydrophobicContact CZ3-CG 4.06Å; A596-P799 HydrophobicContact CB-CG 3.69Å
800S78.5Confident69.6Low65 Ų6562 Ų6246%0.45537%0.369SS..SBendtrans-84.2-25.617354.30000112.3F770 Q771 L798F770-S800 PolarHBondContact O-OG 3.42Å; Q771-S800 WeakPolarHBondContact CA-OG 3.48Å; Q771-S800 PolarHBondContact O-OG 3.03Å; L798-S800 PolarHBondContact O-N 3.41Å
801I83.8Confident72.4Confident33 Ų3363.4 Ų63.417%0.16937%0.365CS..SBendtrans-119.5154.9-178.459.9179.6000111.6F770 L803 E812F770-I801 HydrophobicContact CB-CD1 3.99Å; F770-I801 HydrophobicContact CB-CG1 4.46Å; F770-I801 HydrophobicContact CD1-CD1 3.87Å; F770-I801 HydrophobicContact CG-CD1 4.42Å; F770-I801 WeakPolarHBondContact O-CG1 3.47Å; I801-L803 HydrophobicContact CD1-CD2 3.69Å; I801-L803 HydrophobicContact CG1-CD2 3.87Å; I801-L803 HydrophobicContact CG1-CG 4.21Å; I801-E812 HydrophobicContact CB-CG 4.37Å
802N85.9Confident75.1Confident29 Ų2965.1 Ų65.116%0.15537%0.365CS..  trans-82.4132.9172.4-64.2-36.4000109.2L547 L548 S549 S552 E812 W813L547-N802 CarbonylContact O-C 3.56Å; L547-N802 WeakPolarHBondContact O-CA 3.42Å; L548-N802 WeakPolarHBondContact CA-OD1 3.27Å; L548-N802 HydrophobicContact CD2-CB 4.25Å; S549-N802 PolarHBondContact N-OD1 2.99Å; S549-N802 PolarHBondContact OG-OD1 2.86Å; S552-N802 PolarHBondContact OG-ND2 3.08Å; S552-N802 PolarHBondContact OG-OD1 3.49Å; N802-E812 CarbonylContact O-C 3.57Å; N802-E812 WeakPolarHBondContact O-CA 3.49Å; N802-W813 HydrophobicContact CB-CB 4.03Å; N802-W813 HydrophobicContact CB-CE3 3.98Å; N802-W813 PolarHBondContact O-N 2.89Å
803L87.1Confident77.2Confident1 Ų163.5 Ų63.51%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-120.9133.7-176.7-62.1175.4000110.9W530 L533 L546 L547 F770 I801 L810W530-L803 HydrophobicContact CH2-CD1 4.11Å; W530-L803 HydrophobicContact CZ3-CD1 3.67Å; L533-L803 HydrophobicContact CD1-CD1 4.03Å; L546-L803 CarbonylContact C-O 3.58Å; L546-L803 WeakPolarHBondContact CA-O 3.46Å; L547-L803 HydrophobicContact CB-CB 4.26Å; L547-L803 HydrophobicContact CD2-CD1 4.39Å; L547-L803 PolarHBondContact N-O 2.84Å; L547-L803 PolarHBondContact O-N 2.97Å; F770-L803 HydrophobicContact CB-CD1 4.25Å; F770-L803 HydrophobicContact CD1-CD1 4.25Å; F770-L803 HydrophobicContact CD1-CD2 3.7Å; F770-L803 HydrophobicContact CE1-CD2 4.1Å; F770-L803 HydrophobicContact CG-CD1 4.11Å; F770-L803 HydrophobicContact CG-CD2 4.36Å; I801-L803 HydrophobicContact CD1-CD2 3.69Å; I801-L803 HydrophobicContact CG1-CD2 3.87Å; I801-L803 HydrophobicContact CG1-CG 4.21Å; L803-L810 HydrophobicContact CB-CD1 4.14Å
804L89.2Confident78.8Confident32 Ų3259.2 Ų59.217%0.16833%0.33CS..EExtended strand (participates in β ladder)trans-117.2124175.3172.864000109.6L546 I560 K806 L810 K811 W813L546-L804 HydrophobicContact CD1-CB 4.19Å; L546-L804 HydrophobicContact CD1-CD1 4.37Å; I560-L804 HydrophobicContact CD1-CD1 3.33Å; L804-K806 HydrophobicContact CG-CB 4.39Å; L804-L810 WeakPolarHBondContact O-CA 3.32Å; L804-K811 PolarHBondContact N-O 3.08Å; L804-K811 PolarHBondContact O-N 3.38Å; L804-W813 HydrophobicContact CB-CB 4.03Å; L804-W813 HydrophobicContact CB-CG 4.46Å
805F87.2Confident79.6Confident3 Ų358.5 Ų58.51%0.01333%0.332CS..EExtended strand (participates in β ladder)trans-100.6116.8166.6-175.4-101000109.9Y536 S545 Q809 L810Y536-F805 HydrophobicContact CD2-CD1 4.24Å; Y536-F805 HydrophobicContact CD2-CG 4.42Å; Y536-F805 HydrophobicContact CG-CD1 4.36Å; Y536-F805 HydrophobicContact CG-CE1 4.35Å; Y536-F805 WeakPolarHBondContact O-CE2 3.44Å; Y536-F805 WeakPolarHBondContact O-CZ 3.4Å; S545-F805 PolarHBondContact N-O 2.93Å; S545-F805 PolarHBondContact O-N 3.36Å; F805-Q809 WeakPolarHBondContact CA-O 3.28Å; F805-L810 HydrophobicContact CB-CD1 3.93Å; F805-L810 HydrophobicContact CD2-CB 4.24Å; F805-L810 HydrophobicContact CD2-CD1 4.43Å
806K83.6Confident79Confident97 Ų9767 Ų6742%0.42235%0.352SS..EExtended strand (participates in β ladder)trans-148.4140.9175.9-165.4-166.8172.7-175.10110.2I560 L804 G808 Q809I560-K806 HydrophobicContact CG2-CD 3.95Å; L804-K806 HydrophobicContact CG-CB 4.39Å; K806-G808 PolarHBondContact O-N 2.87Å; K806-Q809 PolarHBondContact N-O 3.05Å; K806-Q809 PolarHBondContact O-N 3.06Å
807D76.6Confident77.2Confident138 Ų13869.4 Ų69.474%0.73838%0.375SS*.THydrogen-bonded Turntrans53.338.6174.1-51-39000113Q809D807-Q809 VanDerWaalsContact C-N 3.32Å; D807-Q809 PolarHBondContact O-N 3.33Å
808G76.6Confident75.2Confident30 Ų3072.7 Ų72.731%0.30940%0.397SS..THydrogen-bonded Turntrans77.28.7179.100000115.6G540 K806G540-G808 VanDerWaalsContact O-CA 3.23Å; G540-G808 WeakPolarHBondContact O-CA 3.49Å; K806-G808 PolarHBondContact O-N 2.87Å
809Q83.6Confident72.9Confident107 Ų10773.5 Ų73.550%0.541%0.408SS..EExtended strand (participates in β ladder)trans-123.2133.6179.2-62.4-176.68.300111.7F805 K806 D807F805-Q809 WeakPolarHBondContact CA-O 3.28Å; K806-Q809 PolarHBondContact N-O 3.05Å; K806-Q809 PolarHBondContact O-N 3.06Å; D807-Q809 VanDerWaalsContact C-N 3.32Å; D807-Q809 PolarHBondContact O-N 3.33Å
810L86.3Confident70.5Confident22 Ų2278.9 Ų78.912%0.11544%0.443CS..EExtended strand (participates in β ladder)trans-94.1120.3170.3-170.268.5000108.9L533 F766 F770 L803 L804 F805L533-L810 HydrophobicContact CD2-CD1 4.23Å; F766-L810 HydrophobicContact CE2-CD2 3.96Å; F766-L810 HydrophobicContact CZ-CD2 3.6Å; F770-L810 HydrophobicContact CE1-CD2 4.4Å; F770-L810 HydrophobicContact CE2-CD2 4.03Å; F770-L810 HydrophobicContact CZ-CD2 3.8Å; L803-L810 HydrophobicContact CB-CD1 4.14Å; L804-L810 WeakPolarHBondContact O-CA 3.32Å; F805-L810 HydrophobicContact CB-CD1 3.93Å; F805-L810 HydrophobicContact CD2-CB 4.24Å; F805-L810 HydrophobicContact CD2-CD1 4.43Å
811K86.4Confident68.4Low124 Ų12483.3 Ų83.354%0.53946%0.461SS..EExtended strand (participates in β ladder)trans-133.4156.3-178.2-67.5-178.6-179167.60111.2L804L804-K811 PolarHBondContact N-O 3.08Å; L804-K811 PolarHBondContact O-N 3.38Å
812E84.9Confident66Low135 Ų13589.2 Ų89.263%0.63149%0.492SS*.EExtended strand (participates in β ladder)trans-66.6132.7169.7-169.4-176.2167.400110.7I801 N802I801-E812 HydrophobicContact CB-CG 4.37Å; N802-E812 CarbonylContact O-C 3.57Å; N802-E812 WeakPolarHBondContact O-CA 3.49Å
813W80.4Confident63.7Low58 Ų5895.7 Ų95.722%0.2253%0.525CS..  trans-95.1104.7177.9-17468.6000110.9L546 L548 L554 P558 N802 L804 G815L546-W813 HydrophobicContact CD1-CB 4Å; L546-W813 HydrophobicContact CD1-CD2 3.91Å; L546-W813 HydrophobicContact CD1-CE3 4.22Å; L546-W813 HydrophobicContact CD1-CG 3.81Å; L548-W813 HydrophobicContact CD2-CE3 3.73Å; L548-W813 HydrophobicContact CD2-CZ3 3.64Å; L554-W813 HydrophobicContact CD2-CH2 3.53Å; L554-W813 HydrophobicContact CD2-CZ3 3.98Å; P558-W813 HydrophobicContact CG-CZ2 4.21Å; N802-W813 HydrophobicContact CB-CB 4.03Å; N802-W813 HydrophobicContact CB-CE3 3.98Å; N802-W813 PolarHBondContact O-N 2.89Å; L804-W813 HydrophobicContact CB-CB 4.03Å; L804-W813 HydrophobicContact CB-CG 4.46Å; W813-G815 PolarHBondContact O-N 2.91Å
814S68.7Low61.1Low97 Ų97100.2 Ų100.268%0.67856%0.557SS**  trans-817.8-176.859.70000114.9R816S814-R816 PolarHBondContact O-N 3.3Å
815G63Low58.6Low46 Ų46104.3 Ų104.347%0.47459%0.588SS.*SBendtrans68.42.3176.600000116W813W813-G815 PolarHBondContact O-N 2.91Å
816R48Very low56Low217 Ų217111.9 Ų111.982%0.81963%0.628SS**SBendtrans-107.1139.8176-68.1-172.2-173.8-167.43110.8S814S814-R816 PolarHBondContact O-N 3.3Å
817A34.3Very low53.5Low81 Ų81115.9 Ų115.967%0.66965%0.648SS**PPolyproline II helixtrans-52148.4165.400000109.6
818P33.6Very low51.4Low107 Ų107119 Ų11970%0.69566%0.655SS**PPolyproline II helixtrans-53.4146.2175.723.1-31.8000109.6
819P30.9Very low49.2Very low114 Ų114125.6 Ų125.674%0.7468%0.684SS**PPolyproline II helixtrans-55.5136.2177.223.8-30.9000108.3L821P819-L821 PolarHBondContact O-N 2.84Å
820P31.1Very low46.7Very low120 Ų120129.7 Ų129.778%0.77970%0.703SS**PPolyproline II helixtrans-57.9130.7177.524.5-31000108D822P820-D822 PolarHBondContact O-N 3.41Å
821L35.5Very low44.6Very low159 Ų159134.3 Ų134.383%0.83273%0.734SS**PPolyproline II helixtrans-49.7123.8170.3-74.8155.7000108.6P819 I823P819-L821 PolarHBondContact O-N 2.84Å; L821-I823 VanDerWaalsContact C-N 3.31Å; L821-I823 PolarHBondContact O-N 2.98Å
822D32.6Very low42Very low156 Ų156137.5 Ų137.583%0.83477%0.772SS**  trans-62.391.5173.3-100.6-35.4000109.5P820 S824P820-D822 PolarHBondContact O-N 3.41Å; D822-S824 VanDerWaalsContact C-N 3.32Å; D822-S824 PolarHBondContact O-N 3.14Å
823I38.7Very low39.8Very low165 Ų165137.7 Ų137.785%0.84678%0.779SS**  trans-87.280163.2-56.8173.7000106.3L821L821-I823 VanDerWaalsContact C-N 3.31Å; L821-I823 PolarHBondContact O-N 2.98Å
824S33.1Very low37.7Very low96 Ų96141.8 Ų141.867%0.67181%0.809SS**  trans-152.164.3166.263.80000113.2D822D822-S824 VanDerWaalsContact C-N 3.32Å; D822-S824 PolarHBondContact O-N 3.14Å
825S35.1Very low36Very low118 Ų118144.3 Ų144.383%0.82582%0.816SS**  trans-153.953.4155.771.40000112.7
826L33.3Very low34.4Very low163 Ų163150.1 Ų150.185%0.85384%0.836SS**SBendtrans-132.7111.8163.2-88.1164.4000110.4
827Q32Very low33.5Very low181 Ų181145.9 Ų145.985%0.84684%0.837SS**  trans77.2103.2157.2-63.7-178.9-18.300119.3
828K31.8Very low33.5Very low202 Ų202150.3 Ų150.388%0.87885%0.848SS**  -153.7102.1121.2-109.9177.9-176.61790108.8
829D31.1Very low33.5Very low170 Ų170153.4 Ų153.491%0.90986%0.859SS**  trans-156.5109.7143.8-90.9-26.5000107.9
830Q29.7Very low33.7Very low193 Ų193156.4 Ų156.490%0.90287%0.868SS**  trans-130.1157.3161.7-107.8-157.6-5.400107.3
831P43.3Very low33.9Very low118 Ų118159.4 Ų159.477%0.76688%0.876SS**  -100.5162.5-125.937.3-36.4000114
832S30.9Very low33.8Very low192 Ų192159.5 Ų159.5100%1.34388%0.879SS**  trans-131.80145.357.90000108.6

Retrieved 832 of 832 residues in 1608.1 ms (Link to these results)

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