A0A087XFW1_POEFO Loading...

Heat shock transcription factor 4

AlphaFold DB , UniProt , Accession A0A087XFW1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 444 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
1M36.8Very low38.6Very low241 Ų241138.8 Ų138.8100%1.18784%0.841SS**  0131.80-66.1166.916800107
2Q37.7Very low38.5Very low188 Ų188130.8 Ų130.888%0.87981%0.807SS**  cis-160.4132.7-18.8-170165.341.400104.1
3E39.8Very low39.2Very low192 Ų192129.7 Ų129.790%0.89781%0.807SS**  trans-69.9147.5178.6-64.7-163.211500110.9
4S33.8Very low39.5Very low121 Ų121134.3 Ų134.385%0.84680%0.804SS**  trans-151.7139.8149.4-147.90000109.8
5P43.5Very low40.2Very low120 Ų120130.5 Ų130.578%0.77980%0.803SS**  trans-117.9170.5-154.637.7-23.4000114.7
6G31.3Very low41.4Very low69 Ų69126.1 Ų126.171%0.71178%0.779SS**  trans73.175.7144.500000117.4A8G6-A8 PolarHBondContact O-N 3.35Å
7V38Very low43.7Very low152 Ų152127.1 Ų127.192%0.92178%0.779SS**  trans-68.590.4145.6178.30000106.8G9V7-G9 PolarHBondContact O-N 3.26Å
8A36.4Very low46.2Very low85 Ų85121.3 Ų121.370%0.70274%0.743SS**  trans-70.582.7169.200000108.5G6 V10G6-A8 PolarHBondContact O-N 3.35Å; A8-V10 VanDerWaalsContact C-N 3.3Å; A8-V10 PolarHBondContact O-N 3.31Å
9G38Very low48.7Very low62 Ų62117.3 Ų117.364%0.63972%0.719SS**  trans-61.697.5160.300000107.9V7 D11V7-G9 PolarHBondContact O-N 3.26Å; G9-D11 PolarHBondContact O-N 3.38Å
10V42.6Very low50.9Low133 Ų133114.9 Ų114.981%0.80671%0.712SS**  trans-73.582.6168.6179.30000106.9A8 G12A8-V10 VanDerWaalsContact C-N 3.3Å; A8-V10 PolarHBondContact O-N 3.31Å; V10-G12 PolarHBondContact O-N 3.3Å
11D46.5Very low53.1Low164 Ų164110.2 Ų110.288%0.87768%0.681SS**  trans-67.968.3158.5-95.2-34.7000108.5G9 S13G9-D11 PolarHBondContact O-N 3.38Å; D11-S13 PolarHBondContact O-N 3.15Å
12G37Very low55.9Low42 Ų4298.7 Ų98.743%0.43363%0.625SS.*  trans-75.272.8169.700000109.4V10 Y14V10-G12 PolarHBondContact O-N 3.3Å; G12-Y14 PolarHBondContact O-N 3.41Å
13S48.4Very low58.6Low117 Ų11792 Ų9282%0.81860%0.597SS**  trans-6973.8170.7-171.30000110.5D11D11-S13 PolarHBondContact O-N 3.15Å
14Y43.1Very low61.3Low194 Ų19487.3 Ų87.376%0.76157%0.573SS**  trans-100.999.8160.6-58.4-71.6000106.7G12 S16G12-Y14 PolarHBondContact O-N 3.41Å; Y14-S16 PolarHBondContact O-N 3.45Å
15G50.5Low64.3Low77 Ų7781.5 Ų81.579%0.79453%0.533SS*.  trans-66.953165.100000111.3
16S59.5Low66.8Low60 Ų6077.2 Ų77.242%0.4250%0.501SS..  trans-71.9139.6178.868.50000108.6Y14 V18Y14-S16 PolarHBondContact O-N 3.45Å; S16-V18 PolarHBondContact O-N 2.91Å; S16-V18 WeakPolarHBondContact OG-CG2 3.38Å
17N79.3Confident69.8Low144 Ų14476.7 Ų76.777%0.7748%0.484SS*.  trans-77.129.7178.4-66.3-79.1000111.8P19N17-P19 WeakPolarHBondContact O-CD 3.14Å
18V89.9Confident72.6Confident23 Ų2369.5 Ų69.514%0.13944%0.44CS..  trans-82.2119.2-177.9178.70000108.8S16 A20 L22 L115 E116S16-V18 PolarHBondContact O-N 2.91Å; S16-V18 WeakPolarHBondContact OG-CG2 3.38Å; V18-A20 PolarHBondContact O-N 3.2Å; V18-L22 HydrophobicContact CG1-CB 3.96Å; V18-L22 HydrophobicContact CG1-CD1 4.4Å; V18-L115 HydrophobicContact CG1-CB 3.89Å; V18-L115 HydrophobicContact CG1-CD1 4.47Å; V18-L115 HydrophobicContact CG2-CB 4.19Å; V18-E116 HydrophobicContact CG2-CB 3.96Å
19P93.3Very high75.5Confident44 Ų4465.4 Ų65.429%0.28641%0.407SS..  trans-62131.8175.6-28.238.9000111.7N17 F21 L22 Y79N17-P19 WeakPolarHBondContact O-CD 3.14Å; P19-F21 PolarHBondContact O-N 2.77Å; P19-L22 WeakPolarHBondContact O-CB 3.31Å; P19-L22 PolarHBondContact O-N 2.89Å; P19-Y79 HydrophobicContact CB-CE1 4.05Å; P19-Y79 WeakPolarHBondContact CB-OH 3.42Å; P19-Y79 HydrophobicContact CG-CE1 3.88Å
20A92.9Very high78.1Confident69 Ų6965.8 Ų65.857%0.5739%0.392SS*.Hα-helixtrans-54.7-16.4-174.800000115.9V18 K24V18-A20 PolarHBondContact O-N 3.2Å; A20-K24 VanDerWaalsContact O-CB 3.29Å; A20-K24 WeakPolarHBondContact O-CB 3.48Å; A20-K24 WeakPolarHBondContact O-CD 3.29Å; A20-K24 WeakPolarHBondContact O-CG 3.3Å; A20-K24 PolarHBondContact O-N 2.88Å
21F95.9Very high80.6Confident17 Ų1761.2 Ų61.28%0.07536%0.363CS..Hα-helixtrans-63.1-42169171.3-97.3000112.2P19 L25 F64 F72 Q75 L76 Y79P19-F21 PolarHBondContact O-N 2.77Å; F21-L25 HydrophobicContact CE1-CD2 4.06Å; F21-L25 HydrophobicContact CZ-CD2 4.26Å; F21-L25 VanDerWaalsContact O-CB 3.27Å; F21-L25 WeakPolarHBondContact O-CB 3.45Å; F21-L25 PolarHBondContact O-N 3.47Å; F21-F64 HydrophobicContact CD2-CD1 4.3Å; F21-F64 AromaticContact CD2-CE1 3.51Å; F21-F64 HydrophobicContact CD2-CE1 3.51Å; F21-F64 AromaticContact CD2-CZ 3.96Å; F21-F64 HydrophobicContact CD2-CZ 3.96Å; F21-F64 AromaticContact CE2-CE1 3.9Å; F21-F64 HydrophobicContact CE2-CE1 3.9Å; F21-F64 AromaticContact CE2-CZ 3.9Å; F21-F64 HydrophobicContact CE2-CZ 3.9Å; F21-F64 HydrophobicContact CG-CE1 4.5Å; F21-F72 HydrophobicContact CE2-CD2 4.2Å; F21-F72 HydrophobicContact CE2-CE2 4.41Å; F21-F72 HydrophobicContact CZ-CE2 4.47Å; F21-Q75 HydrophobicContact CD1-CB 4.23Å; F21-Q75 HydrophobicContact CD2-CB 3.7Å; F21-Q75 HydrophobicContact CD2-CG 4.05Å; F21-Q75 HydrophobicContact CE1-CB 3.91Å; F21-Q75 HydrophobicContact CE2-CB 3.34Å; F21-Q75 HydrophobicContact CE2-CG 4.06Å; F21-Q75 HydrophobicContact CG-CB 4.14Å; F21-Q75 HydrophobicContact CZ-CB 3.45Å; F21-Q75 VanDerWaalsContact CZ-CB 3.45Å; F21-L76 HydrophobicContact CE1-CD2 4.11Å; F21-L76 HydrophobicContact CZ-CD2 3.88Å; F21-L76 HydrophobicContact CZ-CG 4.18Å; F21-Y79 HydrophobicContact CB-CE2 3.99Å; F21-Y79 AromaticContact CD1-CD2 3.33Å; F21-Y79 HydrophobicContact CD1-CD2 3.33Å; F21-Y79 AromaticContact CD1-CE2 3.41Å; F21-Y79 HydrophobicContact CD1-CE2 3.41Å; F21-Y79 VanDerWaalsContact CD1-CE2 3.41Å; F21-Y79 HydrophobicContact CD1-CG 4.38Å; F21-Y79 AromaticContact CE1-CD2 3.72Å; F21-Y79 HydrophobicContact CE1-CD2 3.72Å; F21-Y79 HydrophobicContact CE1-CE2 4.22Å; F21-Y79 HydrophobicContact CG-CD2 4.27Å; F21-Y79 AromaticContact CG-CE2 3.93Å; F21-Y79 HydrophobicContact CG-CE2 3.93Å
22L96.5Very high82.8Confident0 Ų057.9 Ų57.90%035%0.35CS..Hα-helixtrans-73.4-45-176.3-63.8177.9000112V18 P19 K24 L25 W26 Y79 F81 L115 I118V18-L22 HydrophobicContact CG1-CB 3.96Å; V18-L22 HydrophobicContact CG1-CD1 4.4Å; P19-L22 WeakPolarHBondContact O-CB 3.31Å; P19-L22 PolarHBondContact O-N 2.89Å; L22-K24 VanDerWaalsContact C-N 3.3Å; L22-K24 PolarHBondContact O-N 3.4Å; L22-L25 PolarHBondContact O-N 2.94Å; L22-W26 WeakPolarHBondContact O-CB 3.49Å; L22-W26 PolarHBondContact O-N 3.41Å; L22-Y79 HydrophobicContact CD1-CD1 4.09Å; L22-Y79 HydrophobicContact CD1-CE1 4.32Å; L22-Y79 HydrophobicContact CD2-CD1 4.18Å; L22-Y79 HydrophobicContact CD2-CD2 4.12Å; L22-Y79 HydrophobicContact CD2-CG 3.84Å; L22-Y79 HydrophobicContact CG-CD1 4.26Å; L22-Y79 HydrophobicContact CG-CE1 4.44Å; L22-Y79 HydrophobicContact CG-CG 4.35Å; L22-F81 HydrophobicContact CD2-CE2 3.79Å; L22-F81 HydrophobicContact CD2-CZ 4.2Å; L22-L115 HydrophobicContact CB-CD2 4.45Å; L22-I118 HydrophobicContact CD1-CB 3.59Å; L22-I118 HydrophobicContact CD1-CD1 4.32Å; L22-I118 HydrophobicContact CD1-CG1 4.43Å; L22-I118 HydrophobicContact CD1-CG2 3.74Å; L22-I118 HydrophobicContact CD2-CD1 4.33Å; L22-I118 HydrophobicContact CD2-CG2 4.04Å
23T94.8Very high85.5Confident46 Ų4662 Ų6228%0.28236%0.363SS..Hα-helixtrans-55.5-49.2173.4-42.90000110.1L25 W26 T27T23-L25 PolarHBondContact O-N 3.42Å; T23-W26 PolarHBondContact O-N 3.47Å; T23-T27 WeakPolarHBondContact O-CG2 3.49Å; T23-T27 PolarHBondContact O-N 2.88Å; T23-T27 PolarHBondContact O-OG1 3.26Å
24K95.6Very high87.6Confident94 Ų9456.9 Ų56.941%0.40933%0.326SS..Hα-helixtrans-63.3-38.2177.5-75.6179.5164.7-154.40113.8A20 L22 T27 L28 Y63 F64A20-K24 VanDerWaalsContact O-CB 3.29Å; A20-K24 WeakPolarHBondContact O-CB 3.48Å; A20-K24 WeakPolarHBondContact O-CD 3.29Å; A20-K24 WeakPolarHBondContact O-CG 3.3Å; A20-K24 PolarHBondContact O-N 2.88Å; L22-K24 VanDerWaalsContact C-N 3.3Å; L22-K24 PolarHBondContact O-N 3.4Å; K24-T27 WeakPolarHBondContact CA-OG1 3.5Å; K24-T27 PolarHBondContact O-OG1 3.49Å; K24-L28 WeakPolarHBondContact O-CB 3.34Å; K24-L28 PolarHBondContact O-N 3.28Å; K24-Y63 WeakPolarHBondContact CD-O 3.33Å; K24-Y63 PolarHBondContact NZ-O 3.31Å; K24-F64 HydrophobicContact CB-CE1 4Å; K24-F64 HydrophobicContact CB-CZ 4.13Å; K24-F64 HydrophobicContact CD-CE1 4.32Å
25L97.1Very high90Very high0 Ų051 Ų510%031%0.308CS..Hα-helixtrans-65.6-45.1175.7176.867.1000110.6F21 L22 T23 L28 V29 F47 F72 L76 F81 F107F21-L25 HydrophobicContact CE1-CD2 4.06Å; F21-L25 HydrophobicContact CZ-CD2 4.26Å; F21-L25 VanDerWaalsContact O-CB 3.27Å; F21-L25 WeakPolarHBondContact O-CB 3.45Å; F21-L25 PolarHBondContact O-N 3.47Å; L22-L25 PolarHBondContact O-N 2.94Å; T23-L25 PolarHBondContact O-N 3.42Å; L25-L28 WeakPolarHBondContact O-CB 3.31Å; L25-L28 PolarHBondContact O-N 2.89Å; L25-V29 HydrophobicContact CD1-CG2 4.23Å; L25-V29 VanDerWaalsContact O-CG2 3.25Å; L25-V29 WeakPolarHBondContact O-CG2 3.38Å; L25-V29 PolarHBondContact O-N 3.28Å; L25-F47 HydrophobicContact CD1-CE1 4.47Å; L25-F47 HydrophobicContact CD1-CE2 4.35Å; L25-F47 HydrophobicContact CD1-CZ 3.99Å; L25-F47 HydrophobicContact CD2-CE1 4.27Å; L25-F47 HydrophobicContact CD2-CZ 4.35Å; L25-F72 HydrophobicContact CD1-CE2 3.71Å; L25-F72 HydrophobicContact CD1-CZ 3.61Å; L25-L76 HydrophobicContact CD1-CD2 4.36Å; L25-L76 HydrophobicContact CD2-CD2 3.49Å; L25-L76 VanDerWaalsContact CD2-CD2 3.49Å; L25-F81 HydrophobicContact CD2-CE1 4.04Å; L25-F81 HydrophobicContact CD2-CE2 4.25Å; L25-F81 HydrophobicContact CD2-CZ 3.68Å; L25-F107 HydrophobicContact CB-CE2 4.39Å; L25-F107 HydrophobicContact CD2-CD2 4.46Å; L25-F107 HydrophobicContact CD2-CE2 3.82Å; L25-F107 HydrophobicContact CD2-CZ 3.92Å; L25-F107 HydrophobicContact CG-CE2 3.89Å; L25-F107 HydrophobicContact CG-CZ 3.69Å
26W96.4Very high92Very high30 Ų3052.8 Ų52.811%0.11430%0.296CS..Hα-helixtrans-63.3-50179-168.689.4000111.3L22 T23 L28 V29 E30 W40 F107 L108 E112 L115L22-W26 WeakPolarHBondContact O-CB 3.49Å; L22-W26 PolarHBondContact O-N 3.41Å; T23-W26 PolarHBondContact O-N 3.47Å; W26-L28 PolarHBondContact O-N 3.4Å; W26-V29 PolarHBondContact O-N 2.91Å; W26-V29 VanDerWaalsContact O-N 3.12Å; W26-E30 HydrophobicContact CH2-CB 4.44Å; W26-E30 HydrophobicContact CH2-CG 3.98Å; W26-E30 HydrophobicContact CZ2-CG 4.43Å; W26-E30 HydrophobicContact CZ3-CB 4.32Å; W26-E30 HydrophobicContact CZ3-CG 4.23Å; W26-E30 WeakPolarHBondContact O-CB 3.37Å; W26-E30 PolarHBondContact O-N 3.1Å; W26-W40 AromaticContact CD1-CH2 3.81Å; W26-W40 AromaticContact CD1-CZ2 3.73Å; W26-W40 HydrophobicContact CG-CZ2 4.46Å; W26-W40 AromaticContact NE1-CH2 3.91Å; W26-W40 AromaticContact NE1-CZ2 3.62Å; W26-F107 HydrophobicContact CB-CE2 3.86Å; W26-F107 HydrophobicContact CB-CZ 4.19Å; W26-F107 AromaticContact CD1-CE2 3.99Å; W26-F107 HydrophobicContact CG-CE2 4.36Å; W26-L108 PolarHBondContact NE1-O 3.15Å; W26-L108 VanDerWaalsContact NE1-O 3.13Å; W26-E112 HydrophobicContact CD2-CB 4.06Å; W26-E112 HydrophobicContact CD2-CG 3.96Å; W26-E112 HydrophobicContact CE3-CB 4.19Å; W26-E112 HydrophobicContact CE3-CG 3.91Å; W26-E112 HydrophobicContact CG-CG 4.45Å; W26-E112 HydrophobicContact CH2-CB 4.12Å; W26-E112 HydrophobicContact CZ2-CB 3.96Å; W26-E112 HydrophobicContact CZ3-CB 4.21Å; W26-E112 HydrophobicContact CZ3-CG 4.28Å; W26-L115 HydrophobicContact CB-CD1 3.72Å; W26-L115 HydrophobicContact CB-CD2 4.38Å; W26-L115 HydrophobicContact CG-CD1 3.98Å
27T94.8Very high93.6Very high58 Ų5850 Ų5036%0.35628%0.276SS..Hα-helixtrans-60.6-30174.956.80000113.2T23 K24 D31T23-T27 WeakPolarHBondContact O-CG2 3.49Å; T23-T27 PolarHBondContact O-N 2.88Å; T23-T27 PolarHBondContact O-OG1 3.26Å; K24-T27 WeakPolarHBondContact CA-OG1 3.5Å; K24-T27 PolarHBondContact O-OG1 3.49Å; T27-D31 WeakPolarHBondContact O-CB 3.39Å; T27-D31 PolarHBondContact O-N 3.44Å
28L96Very high94.5Very high0 Ų043.1 Ų43.10%024%0.239CC..Hα-helixtrans-75.5-30.2178.1167.963.6000112.8K24 L25 W26 T34 I38 F55 V59 Y63 F64K24-L28 WeakPolarHBondContact O-CB 3.34Å; K24-L28 PolarHBondContact O-N 3.28Å; L25-L28 WeakPolarHBondContact O-CB 3.31Å; L25-L28 PolarHBondContact O-N 2.89Å; W26-L28 PolarHBondContact O-N 3.4Å; L28-T34 HydrophobicContact CD1-CG2 3.97Å; L28-T34 PolarHBondContact O-OG1 3.36Å; L28-I38 HydrophobicContact CD1-CG2 3.89Å; L28-I38 HydrophobicContact CD2-CD1 4.17Å; L28-I38 HydrophobicContact CG-CD1 4.21Å; L28-I38 HydrophobicContact CG-CG2 4.04Å; L28-F55 HydrophobicContact CD2-CE2 4.17Å; L28-F55 HydrophobicContact CD2-CZ 4.2Å; L28-V59 HydrophobicContact CD1-CG1 3.31Å; L28-V59 HydrophobicContact CD2-CG1 4.31Å; L28-V59 HydrophobicContact CG-CG1 4.42Å; L28-Y63 HydrophobicContact CB-CD1 4.01Å; L28-Y63 HydrophobicContact CB-CE1 4Å; L28-Y63 HydrophobicContact CB-CG 4.35Å; L28-Y63 HydrophobicContact CD1-CD1 4.45Å; L28-Y63 HydrophobicContact CD1-CD2 3.65Å; L28-Y63 HydrophobicContact CD1-CE1 4.26Å; L28-Y63 HydrophobicContact CD1-CE2 3.43Å; L28-Y63 VanDerWaalsContact CD1-CE2 3.43Å; L28-Y63 HydrophobicContact CD1-CG 4.18Å; L28-Y63 HydrophobicContact CD2-CG 4.46Å; L28-Y63 HydrophobicContact CG-CD2 4.48Å; L28-F64 HydrophobicContact CD2-CE2 4.11Å
29V96.5Very high94.8Very high0 Ų043.2 Ų43.20%024%0.241CC..Hα-helixtrans-85.6-29.2178.3-177.80000110.9L25 W26 I38 W40 F47 F107L25-V29 HydrophobicContact CD1-CG2 4.23Å; L25-V29 VanDerWaalsContact O-CG2 3.25Å; L25-V29 WeakPolarHBondContact O-CG2 3.38Å; L25-V29 PolarHBondContact O-N 3.28Å; W26-V29 PolarHBondContact O-N 2.91Å; W26-V29 VanDerWaalsContact O-N 3.12Å; V29-I38 HydrophobicContact CG2-CD1 3.7Å; V29-I38 HydrophobicContact CG2-CG1 3.87Å; V29-W40 HydrophobicContact CB-CD2 4.47Å; V29-W40 HydrophobicContact CB-CZ2 4.18Å; V29-W40 HydrophobicContact CG1-CB 4.46Å; V29-W40 HydrophobicContact CG1-CD2 3.44Å; V29-W40 VanDerWaalsContact CG1-CD2 3.44Å; V29-W40 VanDerWaalsContact CG1-CE2 3.45Å; V29-W40 HydrophobicContact CG1-CE3 4Å; V29-W40 HydrophobicContact CG1-CG 3.67Å; V29-W40 HydrophobicContact CG1-CH2 4.49Å; V29-W40 HydrophobicContact CG1-CZ2 4Å; V29-W40 HydrophobicContact CG1-CZ3 4.49Å; V29-F47 HydrophobicContact CG1-CB 3.58Å; V29-F47 HydrophobicContact CG1-CG 4.33Å; V29-F47 HydrophobicContact CG2-CB 4.1Å; V29-F47 HydrophobicContact CG2-CD1 4.42Å; V29-F47 HydrophobicContact CG2-CD2 4.09Å; V29-F47 HydrophobicContact CG2-CG 3.96Å; V29-F107 HydrophobicContact CG2-CE1 4.33Å; V29-F107 HydrophobicContact CG2-CZ 4.22Å
30E94.3Very high94.9Very high70 Ų7042.1 Ų42.133%0.32723%0.231SC..Hα-helixtrans-78.2-18.7176.1-159.866.8-143.500113.4W26 P32 W40W26-E30 HydrophobicContact CH2-CB 4.44Å; W26-E30 HydrophobicContact CH2-CG 3.98Å; W26-E30 HydrophobicContact CZ2-CG 4.43Å; W26-E30 HydrophobicContact CZ3-CB 4.32Å; W26-E30 HydrophobicContact CZ3-CG 4.23Å; W26-E30 WeakPolarHBondContact O-CB 3.37Å; W26-E30 PolarHBondContact O-N 3.1Å; E30-P32 WeakPolarHBondContact O-CD 3.48Å; E30-W40 PolarHBondContact OE2-NE1 3.49Å
31D93.9Very high95.1Very high37 Ų3739.3 Ų39.320%0.19821%0.207CC..  trans-70.4115.7-177.9175.96.2000111.8T27 D33 T34 Y63T27-D31 WeakPolarHBondContact O-CB 3.39Å; T27-D31 PolarHBondContact O-N 3.44Å; D31-D33 PolarHBondContact O-N 3.4Å; D31-D33 WeakPolarHBondContact OD1-CB 3.47Å; D31-D33 PolarHBondContact OD1-N 2.99Å; D31-T34 WeakPolarHBondContact CB-OG1 3.33Å; D31-T34 PolarHBondContact O-N 2.84Å; D31-T34 VanDerWaalsContact O-N 3.17Å; D31-T34 PolarHBondContact O-OG1 3.18Å; D31-Y63 PolarHBondContact OD2-OH 2.86Å
32P93.3Very high94.9Very high93 Ų9344.1 Ų44.160%0.60425%0.25SC*.THydrogen-bonded Turntrans-66.6-23.2-177.528.6-35.7000113.7E30 T34 N35E30-P32 WeakPolarHBondContact O-CD 3.48Å; P32-T34 VanDerWaalsContact C-N 3.27Å; P32-T34 PolarHBondContact O-N 3.49Å; P32-N35 WeakPolarHBondContact CA-ND2 3.48Å; P32-N35 WeakPolarHBondContact O-CB 3.34Å; P32-N35 PolarHBondContact O-N 2.86Å
33D92.4Very high94.8Very high130 Ų13049.1 Ų49.170%0.69528%0.28SS*.THydrogen-bonded Turntrans-70.4-27.6177.8-73.4-13.2000111.2D31 H36D31-D33 PolarHBondContact O-N 3.4Å; D31-D33 WeakPolarHBondContact OD1-CB 3.47Å; D31-D33 PolarHBondContact OD1-N 2.99Å; D33-H36 PolarHBondContact O-CE1 3.21Å; D33-H36 PolarHBondContact O-ND1 2.87Å
34T92.8Very high94.8Very high8 Ų847.2 Ų47.25%0.04927%0.27CS..THydrogen-bonded Turntrans-91.8-8.2179.947.60000114.9L28 D31 P32 H36 L37 I38 V59 Y63L28-T34 HydrophobicContact CD1-CG2 3.97Å; L28-T34 PolarHBondContact O-OG1 3.36Å; D31-T34 WeakPolarHBondContact CB-OG1 3.33Å; D31-T34 PolarHBondContact O-N 2.84Å; D31-T34 VanDerWaalsContact O-N 3.17Å; D31-T34 PolarHBondContact O-OG1 3.18Å; P32-T34 VanDerWaalsContact C-N 3.27Å; P32-T34 PolarHBondContact O-N 3.49Å; T34-H36 PolarHBondContact O-N 3.43Å; T34-L37 PolarHBondContact O-N 3.43Å; T34-I38 CarbonylContact C-O 3.56Å; T34-I38 PolarHBondContact O-N 3.08Å; T34-I38 VanDerWaalsContact O-O 3.13Å; T34-V59 HydrophobicContact CG2-CG1 4.19Å; T34-V59 HydrophobicContact CG2-CG2 4.46Å; T34-Y63 HydrophobicContact CG2-CE2 4.5Å
35N93.4Very high94.8Very high72 Ų7245.3 Ų45.339%0.38527%0.266SS..THydrogen-bonded Turntrans-48.9-28.6-177.4-89.7-25.9000115.3P32 L37 I38 C39P32-N35 WeakPolarHBondContact CA-ND2 3.48Å; P32-N35 WeakPolarHBondContact O-CB 3.34Å; P32-N35 PolarHBondContact O-N 2.86Å; N35-L37 VanDerWaalsContact C-N 3.26Å; N35-L37 PolarHBondContact O-N 2.8Å; N35-I38 WeakPolarHBondContact CA-O 3.43Å; N35-I38 PolarHBondContact N-O 3.14Å; N35-C39 HydrophobicContact CB-CB 4.27Å; N35-C39 WeakPolarHBondContact OD1-CB 3.32Å
36H93Very high94.7Very high114 Ų11445.4 Ų45.453%0.52827%0.267SS..THydrogen-bonded Turntrans-75.4-9.2179.269.2-80.4000114.4D33 T34D33-H36 PolarHBondContact O-CE1 3.21Å; D33-H36 PolarHBondContact O-ND1 2.87Å; T34-H36 PolarHBondContact O-N 3.43Å
37L94.3Very high94.8Very high1 Ų144 Ų441%0.00526%0.262CS..THydrogen-bonded Turntrans-127.8-27.9177.1-70.7171.6000112.7T34 N35 V49 F50 D51 R54 F55 V59T34-L37 PolarHBondContact O-N 3.43Å; N35-L37 VanDerWaalsContact C-N 3.26Å; N35-L37 PolarHBondContact O-N 2.8Å; L37-V49 WeakPolarHBondContact O-CA 3.37Å; L37-F50 PolarHBondContact O-N 2.91Å; L37-D51 HydrophobicContact CD2-CB 3.85Å; L37-R54 HydrophobicContact CD2-CB 3.91Å; L37-F55 HydrophobicContact CB-CB 4.39Å; L37-F55 HydrophobicContact CB-CD2 4.33Å; L37-V59 HydrophobicContact CB-CG2 4.37Å; L37-V59 HydrophobicContact CD1-CG2 3.58Å
38I96.4Very high94.8Very high0 Ų042.9 Ų42.90%025%0.252CS..EExtended strand (participates in β ladder)trans-149.9126.7175.2-178.3164.4000109.6L28 V29 T34 N35 F47 H48 V49 F55 F72L28-I38 HydrophobicContact CD1-CG2 3.89Å; L28-I38 HydrophobicContact CD2-CD1 4.17Å; L28-I38 HydrophobicContact CG-CD1 4.21Å; L28-I38 HydrophobicContact CG-CG2 4.04Å; V29-I38 HydrophobicContact CG2-CD1 3.7Å; V29-I38 HydrophobicContact CG2-CG1 3.87Å; T34-I38 CarbonylContact C-O 3.56Å; T34-I38 PolarHBondContact O-N 3.08Å; T34-I38 VanDerWaalsContact O-O 3.13Å; N35-I38 WeakPolarHBondContact CA-O 3.43Å; N35-I38 PolarHBondContact N-O 3.14Å; I38-F47 HydrophobicContact CD1-CD2 3.88Å; I38-F47 HydrophobicContact CD1-CE2 3.96Å; I38-F47 HydrophobicContact CG1-CD2 4.03Å; I38-H48 VanDerWaalsContact CA-O 3.29Å; I38-H48 WeakPolarHBondContact CA-O 3.49Å; I38-H48 WeakPolarHBondContact CG1-O 3.44Å; I38-V49 HydrophobicContact CD1-CG2 4Å; I38-V49 HydrophobicContact CG1-CG2 4.21Å; I38-F55 HydrophobicContact CB-CD2 4.23Å; I38-F55 HydrophobicContact CB-CE2 3.9Å; I38-F55 HydrophobicContact CD1-CE2 3.88Å; I38-F55 HydrophobicContact CD1-CZ 4.01Å; I38-F55 HydrophobicContact CG2-CD2 4.21Å; I38-F55 HydrophobicContact CG2-CE2 3.79Å; I38-F72 HydrophobicContact CD1-CZ 4.4Å
39C96.2Very high94.9Very high25 Ų2542.9 Ų42.917%0.16925%0.252CS..EExtended strand (participates in β ladder)trans-149.9162.7179.9750000111.8N35 F47 H48N35-C39 HydrophobicContact CB-CB 4.27Å; N35-C39 WeakPolarHBondContact OD1-CB 3.32Å; C39-F47 CarbonylContact O-C 3.56Å; C39-F47 VanDerWaalsContact O-CA 3.23Å; C39-F47 WeakPolarHBondContact O-CA 3.45Å; C39-F47 WeakPolarHBondContact O-CB 3.47Å; C39-H48 PolarHBondContact N-O 3.23Å; C39-H48 PolarHBondContact O-N 2.86Å
40W97.3Very high94.8Very high21 Ų2145.3 Ų45.38%0.0826%0.263CS..EExtended strand (participates in β ladder)trans-62.3150.4167.6-65.8108.2000111.9W26 V29 E30 F47 F107 L108 Q109W26-W40 AromaticContact CD1-CH2 3.81Å; W26-W40 AromaticContact CD1-CZ2 3.73Å; W26-W40 HydrophobicContact CG-CZ2 4.46Å; W26-W40 AromaticContact NE1-CH2 3.91Å; W26-W40 AromaticContact NE1-CZ2 3.62Å; V29-W40 HydrophobicContact CB-CD2 4.47Å; V29-W40 HydrophobicContact CB-CZ2 4.18Å; V29-W40 HydrophobicContact CG1-CB 4.46Å; V29-W40 HydrophobicContact CG1-CD2 3.44Å; V29-W40 VanDerWaalsContact CG1-CD2 3.44Å; V29-W40 VanDerWaalsContact CG1-CE2 3.45Å; V29-W40 HydrophobicContact CG1-CE3 4Å; V29-W40 HydrophobicContact CG1-CG 3.67Å; V29-W40 HydrophobicContact CG1-CH2 4.49Å; V29-W40 HydrophobicContact CG1-CZ2 4Å; V29-W40 HydrophobicContact CG1-CZ3 4.49Å; E30-W40 PolarHBondContact OE2-NE1 3.49Å; W40-F47 HydrophobicContact CE3-CB 4.48Å; W40-F107 HydrophobicContact CE3-CE1 4.44Å; W40-F107 AromaticContact CH2-CD1 3.54Å; W40-F107 HydrophobicContact CH2-CD1 3.54Å; W40-F107 AromaticContact CH2-CE1 3.18Å; W40-F107 HydrophobicContact CH2-CE1 3.18Å; W40-F107 HydrophobicContact CH2-CG 4.35Å; W40-F107 AromaticContact CH2-CZ 3.73Å; W40-F107 HydrophobicContact CH2-CZ 3.73Å; W40-F107 HydrophobicContact CZ2-CE1 4.09Å; W40-F107 HydrophobicContact CZ2-CZ 4.34Å; W40-F107 AromaticContact CZ3-CD1 3.52Å; W40-F107 HydrophobicContact CZ3-CD1 3.52Å; W40-F107 AromaticContact CZ3-CE1 3.41Å; W40-F107 HydrophobicContact CZ3-CE1 3.41Å; W40-F107 VanDerWaalsContact CZ3-CE1 3.41Å; W40-F107 HydrophobicContact CZ3-CZ 4.38Å; W40-L108 VanDerWaalsContact CH2-C 3.44Å; W40-Q109 VanDerWaalsContact CD1-CD 3.46Å; W40-Q109 HydrophobicContact CD2-CB 3.65Å; W40-Q109 HydrophobicContact CD2-CG 4.04Å; W40-Q109 HydrophobicContact CE3-CB 3.99Å; W40-Q109 HydrophobicContact CG-CB 3.92Å; W40-Q109 HydrophobicContact CG-CG 3.89Å; W40-Q109 HydrophobicContact CZ2-CB 4.25Å; W40-Q109 HydrophobicContact CZ3-CB 4.42Å
41S95.4Very high94.7Very high10 Ų1045 Ų457%0.0726%0.263CS..  trans-70.2162.5165.1650000110.8T43 G44 S46S41-T43 PolarHBondContact O-N 3.28Å; S41-T43 PolarHBondContact OG-OG1 2.94Å; S41-G44 PolarHBondContact O-N 3.02Å; S41-S46 WeakPolarHBondContact CB-OG 3.41Å; S41-S46 PolarHBondContact N-O 3.31Å; S41-S46 PolarHBondContact OG-N 3.42Å; S41-S46 PolarHBondContact OG-O 2.95Å; S41-S46 VanDerWaalsContact OG-O 3.14Å; S41-S46 PolarHBondContact OG-OG 3.39Å
42A93.3Very high94.6Very high118 Ų11846 Ų4698%0.97527%0.267SS*.THydrogen-bonded Turntrans-59.9-18.5-177.900000114.4
43T93.5Very high94.7Very high104 Ų10443.9 Ų43.964%0.63826%0.262SS*.THydrogen-bonded Turntrans-94.8-7.5175.550.10000113.8S41 T45S41-T43 PolarHBondContact O-N 3.28Å; S41-T43 PolarHBondContact OG-OG1 2.94Å; T43-T45 PolarHBondContact O-N 2.85Å; T43-T45 PolarHBondContact OG1-OG1 3.21Å
44G94.7Very high94.8Very high7 Ų742.6 Ų42.67%0.07225%0.247CC..SBendtrans66.312.4-176.100000114.8S41 L108 Q109S41-G44 PolarHBondContact O-N 3.02Å; G44-L108 WeakPolarHBondContact O-CA 3.29Å; G44-Q109 PolarHBondContact O-N 2.85Å
45T95.5Very high94.9Very high54 Ų5442.2 Ų42.233%0.33125%0.245SC..SBendtrans-103-0.7-175.954.60000113.9T43 Q103 L108T43-T45 PolarHBondContact O-N 2.85Å; T43-T45 PolarHBondContact OG1-OG1 3.21Å; T45-Q103 WeakPolarHBondContact O-CG 3.28Å; T45-Q103 PolarHBondContact O-NE2 2.99Å; T45-L108 HydrophobicContact CG2-CD2 4.03Å
46S96.5Very high95.1Very high2 Ų239.2 Ų39.21%0.01423%0.23CC..EExtended strand (participates in β ladder)trans-159.5171-178.447.70000109.1S41 E101 F102S41-S46 WeakPolarHBondContact CB-OG 3.41Å; S41-S46 PolarHBondContact N-O 3.31Å; S41-S46 PolarHBondContact OG-N 3.42Å; S41-S46 PolarHBondContact OG-O 2.95Å; S41-S46 VanDerWaalsContact OG-O 3.14Å; S41-S46 PolarHBondContact OG-OG 3.39Å; S46-E101 WeakPolarHBondContact CB-OE1 3.48Å; S46-E101 PolarHBondContact OG-OE1 3.46Å; S46-F102 WeakPolarHBondContact CA-O 3.43Å; S46-F102 WeakPolarHBondContact CB-O 3.27Å
47F97.3Very high95.2Very high0 Ų041.5 Ų41.50%024%0.239CC..EExtended strand (participates in β ladder)trans-135.2146.4175.670.6-90.4000111.4L25 V29 I38 C39 W40 V49 F72 L76 F81 E101 F102 F107L25-F47 HydrophobicContact CD1-CE1 4.47Å; L25-F47 HydrophobicContact CD1-CE2 4.35Å; L25-F47 HydrophobicContact CD1-CZ 3.99Å; L25-F47 HydrophobicContact CD2-CE1 4.27Å; L25-F47 HydrophobicContact CD2-CZ 4.35Å; V29-F47 HydrophobicContact CG1-CB 3.58Å; V29-F47 HydrophobicContact CG1-CG 4.33Å; V29-F47 HydrophobicContact CG2-CB 4.1Å; V29-F47 HydrophobicContact CG2-CD1 4.42Å; V29-F47 HydrophobicContact CG2-CD2 4.09Å; V29-F47 HydrophobicContact CG2-CG 3.96Å; I38-F47 HydrophobicContact CD1-CD2 3.88Å; I38-F47 HydrophobicContact CD1-CE2 3.96Å; I38-F47 HydrophobicContact CG1-CD2 4.03Å; C39-F47 CarbonylContact O-C 3.56Å; C39-F47 VanDerWaalsContact O-CA 3.23Å; C39-F47 WeakPolarHBondContact O-CA 3.45Å; C39-F47 WeakPolarHBondContact O-CB 3.47Å; W40-F47 HydrophobicContact CE3-CB 4.48Å; F47-V49 HydrophobicContact CD2-CG2 3.98Å; F47-V49 HydrophobicContact CE2-CG2 3.72Å; F47-F72 HydrophobicContact CE2-CZ 4.39Å; F47-L76 HydrophobicContact CE1-CD2 4.35Å; F47-L76 HydrophobicContact CZ-CD1 3.96Å; F47-L76 HydrophobicContact CZ-CD2 3.83Å; F47-F81 AromaticContact CE1-CD1 3.91Å; F47-F81 HydrophobicContact CE1-CD1 3.91Å; F47-F81 AromaticContact CE1-CE1 3.79Å; F47-F81 HydrophobicContact CE1-CE1 3.79Å; F47-E101 CarbonylContact O-C 3.5Å; F47-E101 WeakPolarHBondContact O-CA 3.42Å; F47-F102 HydrophobicContact CD1-CB 4.3Å; F47-F102 HydrophobicContact CE1-CB 3.72Å; F47-F102 HydrophobicContact CE2-CB 4.09Å; F47-F102 AromaticContact CE2-CD2 3.89Å; F47-F102 HydrophobicContact CE2-CD2 3.89Å; F47-F102 HydrophobicContact CE2-CG 4.4Å; F47-F102 HydrophobicContact CZ-CB 3.6Å; F47-F102 HydrophobicContact CZ-CD2 4.04Å; F47-F102 HydrophobicContact CZ-CG 4.12Å; F47-F102 PolarHBondContact N-O 3.15Å; F47-F102 PolarHBondContact O-N 3.45Å; F47-F107 AromaticContact CD1-CD1 3.94Å; F47-F107 HydrophobicContact CD1-CD1 3.94Å; F47-F107 AromaticContact CD1-CE1 3.56Å; F47-F107 HydrophobicContact CD1-CE1 3.56Å; F47-F107 HydrophobicContact CD1-CZ 4.5Å; F47-F107 HydrophobicContact CE1-CD1 4.3Å; F47-F107 AromaticContact CE1-CE1 3.98Å; F47-F107 HydrophobicContact CE1-CE1 3.98Å; F47-F107 HydrophobicContact CG-CE1 4.42Å
48H95.9Very high95.2Very high34 Ų3445.3 Ų45.316%0.15726%0.256CS..EExtended strand (participates in β ladder)trans-98146177.3-66.6-98.9000110.1I38 C39 F50 D99 E101I38-H48 VanDerWaalsContact CA-O 3.29Å; I38-H48 WeakPolarHBondContact CA-O 3.49Å; I38-H48 WeakPolarHBondContact CG1-O 3.44Å; C39-H48 PolarHBondContact N-O 3.23Å; C39-H48 PolarHBondContact O-N 2.86Å; H48-F50 HydrophobicContact CB-CE1 4.04Å; H48-F50 HydrophobicContact CB-CE2 3.89Å; H48-F50 HydrophobicContact CB-CZ 3.54Å; H48-D99 IonicContact CE1-OD2 3.23Å; H48-D99 IonicContact CG-OD1 3.83Å; H48-D99 IonicContact ND1-OD1 3.63Å; H48-D99 PolarHBondContact ND1-OD1 3.3Å; H48-D99 IonicContact ND1-OD2 2.93Å; H48-D99 PolarHBondContact ND1-OD2 2.88Å; H48-D99 VanDerWaalsContact ND1-OD2 3.16Å; H48-E101 IonicContact CE1-OE2 3.16Å
49V96.3Very high95.1Very high0 Ų045.5 Ų45.50%026%0.258CS..EExtended strand (participates in β ladder)trans-122.5116.8166.7-172.90000108.5L37 I38 F47 F55 M69 F72 T100 F102L37-V49 WeakPolarHBondContact O-CA 3.37Å; I38-V49 HydrophobicContact CD1-CG2 4Å; I38-V49 HydrophobicContact CG1-CG2 4.21Å; F47-V49 HydrophobicContact CD2-CG2 3.98Å; F47-V49 HydrophobicContact CE2-CG2 3.72Å; V49-F55 HydrophobicContact CG1-CB 4.12Å; V49-F55 HydrophobicContact CG1-CD1 3.58Å; V49-F55 HydrophobicContact CG1-CD2 4.09Å; V49-F55 HydrophobicContact CG1-CE1 3.94Å; V49-F55 HydrophobicContact CG1-CE2 4.43Å; V49-F55 HydrophobicContact CG1-CG 3.66Å; V49-F55 HydrophobicContact CG1-CZ 4.36Å; V49-M69 HydrophobicContact CB-CE 4.38Å; V49-M69 HydrophobicContact CG1-CE 3.81Å; V49-F72 HydrophobicContact CG2-CE1 4.42Å; V49-T100 PolarHBondContact N-O 2.91Å; V49-T100 PolarHBondContact O-N 3.23Å; V49-F102 HydrophobicContact CG2-CD2 4.28Å; V49-F102 HydrophobicContact CG2-CE2 4.32Å
50F94.3Very high95.1Very high51 Ų5144.3 Ų44.322%0.22425%0.25CC..  trans-97.7159.6177.7-52.1-69.7000111L37 H48 Q52 D98 D99L37-F50 PolarHBondContact O-N 2.91Å; H48-F50 HydrophobicContact CB-CE1 4.04Å; H48-F50 HydrophobicContact CB-CE2 3.89Å; H48-F50 HydrophobicContact CB-CZ 3.54Å; F50-Q52 PolarHBondContact O-N 3.14Å; F50-D98 WeakPolarHBondContact CA-O 3.4Å; F50-D99 HydrophobicContact CD1-CB 3.96Å; F50-D99 HydrophobicContact CE1-CB 3.99Å; F50-D99 VanDerWaalsContact CE1-CG 3.49Å
51D92.8Very high95Very high63 Ų6346.6 Ų46.634%0.33727%0.267SS..SBendtrans41.159.7174.4-70.4-8.7000112.6L37 G53 R54 F55 D98L37-D51 HydrophobicContact CD2-CB 3.85Å; D51-G53 PolarHBondContact O-N 3.35Å; D51-R54 HydrophobicContact CB-CB 4.05Å; D51-R54 HydrophobicContact CB-CG 4.36Å; D51-R54 WeakPolarHBondContact O-CA 3.34Å; D51-R54 WeakPolarHBondContact O-CB 3.3Å; D51-R54 PolarHBondContact O-N 3.14Å; D51-R54 IonicContact OD2-NH1 3.17Å; D51-F55 PolarHBondContact O-N 3.38Å; D51-D98 PolarHBondContact N-O 3.31Å
52Q93.2Very high94.9Very high60 Ų6053.9 Ų53.928%0.2830%0.298SS..Hα-helixtrans-49.7-33.9-168.1-58.7-175.341.100113.8F50 A56 M69 T100F50-Q52 PolarHBondContact O-N 3.14Å; Q52-A56 WeakPolarHBondContact O-CB 3.41Å; Q52-A56 PolarHBondContact O-N 3.31Å; Q52-M69 HydrophobicContact CB-CE 3.99Å; Q52-M69 HydrophobicContact CB-CG 4.43Å; Q52-M69 HydrophobicContact CG-CE 3.77Å; Q52-T100 PolarHBondContact NE2-OG1 2.92Å
53G93.9Very high94.9Very high47 Ų4750.5 Ų50.549%0.48526%0.26SS..Hα-helixtrans-70-29.6175.800000115.3D51 K57D51-G53 PolarHBondContact O-N 3.35Å; G53-K57 WeakPolarHBondContact O-CD 3.49Å; G53-K57 WeakPolarHBondContact O-CG 3.45Å
54R94.5Very high95Very high103 Ų10346.6 Ų46.639%0.38923%0.234SC..Hα-helixtrans-80-49.2171.6-72.8-171.561.8-144.6-9.5111.1L37 D51 A56 K57 E58L37-R54 HydrophobicContact CD2-CB 3.91Å; D51-R54 HydrophobicContact CB-CB 4.05Å; D51-R54 HydrophobicContact CB-CG 4.36Å; D51-R54 WeakPolarHBondContact O-CA 3.34Å; D51-R54 WeakPolarHBondContact O-CB 3.3Å; D51-R54 PolarHBondContact O-N 3.14Å; D51-R54 IonicContact OD2-NH1 3.17Å; R54-A56 PolarHBondContact O-N 3.42Å; R54-K57 PolarHBondContact O-N 3.38Å; R54-E58 WeakPolarHBondContact CB-OE1 3.32Å; R54-E58 IonicContact CZ-OE1 3.59Å; R54-E58 IonicContact CZ-OE2 3.66Å; R54-E58 IonicContact NE-OE1 2.84Å; R54-E58 PolarHBondContact NE-OE1 3.12Å; R54-E58 IonicContact NE-OE2 3.68Å; R54-E58 IonicContact NH2-OE1 3.46Å; R54-E58 PolarHBondContact NH2-OE1 3.28Å; R54-E58 IonicContact NH2-OE2 2.81Å; R54-E58 PolarHBondContact NH2-OE2 2.74Å; R54-E58 WeakPolarHBondContact O-CB 3.35Å; R54-E58 PolarHBondContact O-N 3.49Å
55F96.1Very high95Very high0 Ų057 Ų570%028%0.277CS..Iπ-helixtrans-49.6-46.1172.9172.2-103.5000111.8L28 L37 I38 V49 D51 K57 V59 L60 M69 F72L28-F55 HydrophobicContact CD2-CE2 4.17Å; L28-F55 HydrophobicContact CD2-CZ 4.2Å; L37-F55 HydrophobicContact CB-CB 4.39Å; L37-F55 HydrophobicContact CB-CD2 4.33Å; I38-F55 HydrophobicContact CB-CD2 4.23Å; I38-F55 HydrophobicContact CB-CE2 3.9Å; I38-F55 HydrophobicContact CD1-CE2 3.88Å; I38-F55 HydrophobicContact CD1-CZ 4.01Å; I38-F55 HydrophobicContact CG2-CD2 4.21Å; I38-F55 HydrophobicContact CG2-CE2 3.79Å; V49-F55 HydrophobicContact CG1-CB 4.12Å; V49-F55 HydrophobicContact CG1-CD1 3.58Å; V49-F55 HydrophobicContact CG1-CD2 4.09Å; V49-F55 HydrophobicContact CG1-CE1 3.94Å; V49-F55 HydrophobicContact CG1-CE2 4.43Å; V49-F55 HydrophobicContact CG1-CG 3.66Å; V49-F55 HydrophobicContact CG1-CZ 4.36Å; D51-F55 PolarHBondContact O-N 3.38Å; F55-K57 VanDerWaalsContact C-N 3.31Å; F55-K57 PolarHBondContact O-N 3.29Å; F55-V59 HydrophobicContact CD2-CB 3.75Å; F55-V59 HydrophobicContact CD2-CG1 3.9Å; F55-V59 HydrophobicContact CD2-CG2 4.1Å; F55-V59 HydrophobicContact CE2-CB 4.01Å; F55-V59 HydrophobicContact CE2-CG1 3.67Å; F55-V59 WeakPolarHBondContact O-CA 3.48Å; F55-V59 WeakPolarHBondContact O-CB 3.49Å; F55-V59 PolarHBondContact O-N 3.26Å; F55-L60 HydrophobicContact CD1-CD2 4.37Å; F55-L60 HydrophobicContact CD1-CG 4.18Å; F55-L60 HydrophobicContact CE1-CD1 4.3Å; F55-L60 HydrophobicContact CE1-CD2 3.52Å; F55-L60 HydrophobicContact CE1-CG 3.8Å; F55-L60 HydrophobicContact CZ-CD2 3.64Å; F55-L60 HydrophobicContact CZ-CG 4.24Å; F55-L60 PolarHBondContact O-N 3.23Å; F55-M69 HydrophobicContact CD1-CE 4.11Å; F55-M69 HydrophobicContact CD1-SD 3.9Å; F55-M69 HydrophobicContact CE1-CE 4.29Å; F55-M69 HydrophobicContact CE1-SD 3.91Å; F55-F72 AromaticContact CE1-CD1 3.97Å; F55-F72 HydrophobicContact CE1-CD1 3.97Å; F55-F72 AromaticContact CE1-CE1 3.89Å; F55-F72 HydrophobicContact CE1-CE1 3.89Å; F55-F72 HydrophobicContact CE1-CG 4.34Å; F55-F72 HydrophobicContact CE1-CZ 4.2Å; F55-F72 HydrophobicContact CZ-CD1 4.47Å; F55-F72 HydrophobicContact CZ-CE1 4.05Å; F55-F72 HydrophobicContact CZ-CE2 4.19Å; F55-F72 AromaticContact CZ-CZ 3.89Å; F55-F72 HydrophobicContact CZ-CZ 3.89Å
56A96.1Very high94.9Very high10 Ų1057.1 Ų57.18%0.08327%0.274CS..Iπ-helixtrans-61.6-32.8178.100000114.4Q52 R54 L60 N67 M69Q52-A56 WeakPolarHBondContact O-CB 3.41Å; Q52-A56 PolarHBondContact O-N 3.31Å; R54-A56 PolarHBondContact O-N 3.42Å; A56-L60 HydrophobicContact CB-CD1 4.21Å; A56-N67 WeakPolarHBondContact CB-O 3.29Å; A56-N67 CarbonylContact O-C 3.57Å; A56-N67 VanDerWaalsContact O-CA 3.22Å; A56-N67 WeakPolarHBondContact O-CA 3.43Å; A56-N67 VanDerWaalsContact O-CB 3.27Å; A56-N67 WeakPolarHBondContact O-CB 3.44Å; A56-M69 HydrophobicContact CB-CB 4.26Å
57K95.3Very high94.9Very high162 Ų16262 Ų6270%0.70430%0.3SS*.Iπ-helixtrans-91.4-42.8-177.9-70.5174.2-176.6176.40113.4G53 R54 F55 P61G53-K57 WeakPolarHBondContact O-CD 3.49Å; G53-K57 WeakPolarHBondContact O-CG 3.45Å; R54-K57 PolarHBondContact O-N 3.38Å; F55-K57 VanDerWaalsContact C-N 3.31Å; F55-K57 PolarHBondContact O-N 3.29Å; K57-P61 WeakPolarHBondContact O-CG 3.4Å
58E94.2Very high94.8Very high81 Ų8165.7 Ų65.738%0.37932%0.32SS..Iπ-helixtrans-93.2-29.2-169-65.6169.3-13500112.5R54 K62R54-E58 WeakPolarHBondContact CB-OE1 3.32Å; R54-E58 IonicContact CZ-OE1 3.59Å; R54-E58 IonicContact CZ-OE2 3.66Å; R54-E58 IonicContact NE-OE1 2.84Å; R54-E58 PolarHBondContact NE-OE1 3.12Å; R54-E58 IonicContact NE-OE2 3.68Å; R54-E58 IonicContact NH2-OE1 3.46Å; R54-E58 PolarHBondContact NH2-OE1 3.28Å; R54-E58 IonicContact NH2-OE2 2.81Å; R54-E58 PolarHBondContact NH2-OE2 2.74Å; R54-E58 WeakPolarHBondContact O-CB 3.35Å; R54-E58 PolarHBondContact O-N 3.49Å; E58-K62 WeakPolarHBondContact O-CD 3.33Å; E58-K62 WeakPolarHBondContact O-CE 3.38Å
59V95.2Very high94.8Very high4 Ų465.2 Ų65.22%0.02432%0.318CS..Iπ-helixtrans-111.1-53.3-170.8-177.80000111.9L28 T34 L37 F55 P61 K62 Y63L28-V59 HydrophobicContact CD1-CG1 3.31Å; L28-V59 HydrophobicContact CD2-CG1 4.31Å; L28-V59 HydrophobicContact CG-CG1 4.42Å; T34-V59 HydrophobicContact CG2-CG1 4.19Å; T34-V59 HydrophobicContact CG2-CG2 4.46Å; L37-V59 HydrophobicContact CB-CG2 4.37Å; L37-V59 HydrophobicContact CD1-CG2 3.58Å; F55-V59 HydrophobicContact CD2-CB 3.75Å; F55-V59 HydrophobicContact CD2-CG1 3.9Å; F55-V59 HydrophobicContact CD2-CG2 4.1Å; F55-V59 HydrophobicContact CE2-CB 4.01Å; F55-V59 HydrophobicContact CE2-CG1 3.67Å; F55-V59 WeakPolarHBondContact O-CA 3.48Å; F55-V59 WeakPolarHBondContact O-CB 3.49Å; F55-V59 PolarHBondContact O-N 3.26Å; V59-P61 VanDerWaalsContact C-CD 3.46Å; V59-P61 VanDerWaalsContact C-N 3.34Å; V59-P61 VanDerWaalsContact O-N 3.17Å; V59-K62 WeakPolarHBondContact O-CB 3.48Å; V59-K62 PolarHBondContact O-N 3.47Å; V59-Y63 HydrophobicContact CG1-CD2 4.15Å; V59-Y63 HydrophobicContact CG1-CE2 4.24Å
60L95.4Very high94.8Very high0 Ų068.3 Ų68.30%034%0.343CS..Hα-helixtrans-52.1-41.6-176.4-69.9-176.2000114.3F55 A56 K62 Y63 F64 H66 F72F55-L60 HydrophobicContact CD1-CD2 4.37Å; F55-L60 HydrophobicContact CD1-CG 4.18Å; F55-L60 HydrophobicContact CE1-CD1 4.3Å; F55-L60 HydrophobicContact CE1-CD2 3.52Å; F55-L60 HydrophobicContact CE1-CG 3.8Å; F55-L60 HydrophobicContact CZ-CD2 3.64Å; F55-L60 HydrophobicContact CZ-CG 4.24Å; F55-L60 PolarHBondContact O-N 3.23Å; A56-L60 HydrophobicContact CB-CD1 4.21Å; L60-K62 VanDerWaalsContact C-N 3.26Å; L60-K62 PolarHBondContact O-N 2.94Å; L60-Y63 PolarHBondContact O-N 2.91Å; L60-F64 HydrophobicContact CD2-CD2 3.76Å; L60-F64 HydrophobicContact CD2-CE2 4.13Å; L60-F64 WeakPolarHBondContact O-CA 3.34Å; L60-F64 WeakPolarHBondContact O-CB 3.47Å; L60-F64 PolarHBondContact O-N 3.31Å; L60-F64 VanDerWaalsContact O-O 3.07Å; L60-H66 CarbonylContact C-O 3.48Å; L60-H66 WeakPolarHBondContact CB-O 3.41Å; L60-F72 HydrophobicContact CD1-CB 4.06Å; L60-F72 HydrophobicContact CD2-CB 3.98Å; L60-F72 HydrophobicContact CD2-CD2 3.61Å; L60-F72 HydrophobicContact CD2-CE2 4.23Å; L60-F72 HydrophobicContact CD2-CG 3.85Å
61P95.6Very high94.9Very high69 Ų6967.9 Ų67.945%0.44835%0.347SS..Hα-helixtrans-66.7-20.7179.9-24.437.7000115.2K57 V59 F64 N67K57-P61 WeakPolarHBondContact O-CG 3.4Å; V59-P61 VanDerWaalsContact C-CD 3.46Å; V59-P61 VanDerWaalsContact C-N 3.34Å; V59-P61 VanDerWaalsContact O-N 3.17Å; P61-F64 CarbonylContact C-O 3.41Å; P61-F64 WeakPolarHBondContact CA-O 3.41Å; P61-N67 HydrophobicContact CG-CB 3.88Å
62K93.9Very high95.1Very high163 Ų16364.9 Ų64.971%0.70933%0.331SS*.Hα-helixtrans-74.6-38.6177.7-62.2176.2177.4174.20111.2E58 V59 L60E58-K62 WeakPolarHBondContact O-CD 3.33Å; E58-K62 WeakPolarHBondContact O-CE 3.38Å; V59-K62 WeakPolarHBondContact O-CB 3.48Å; V59-K62 PolarHBondContact O-N 3.47Å; L60-K62 VanDerWaalsContact C-N 3.26Å; L60-K62 PolarHBondContact O-N 2.94Å
63Y93.1Very high95.2Very high47 Ų4763.8 Ų63.818%0.18433%0.328CS..Hα-helixtrans-99.3-34-174.8-66.5-94000112.7K24 L28 D31 T34 V59 L60K24-Y63 WeakPolarHBondContact CD-O 3.33Å; K24-Y63 PolarHBondContact NZ-O 3.31Å; L28-Y63 HydrophobicContact CB-CD1 4.01Å; L28-Y63 HydrophobicContact CB-CE1 4Å; L28-Y63 HydrophobicContact CB-CG 4.35Å; L28-Y63 HydrophobicContact CD1-CD1 4.45Å; L28-Y63 HydrophobicContact CD1-CD2 3.65Å; L28-Y63 HydrophobicContact CD1-CE1 4.26Å; L28-Y63 HydrophobicContact CD1-CE2 3.43Å; L28-Y63 VanDerWaalsContact CD1-CE2 3.43Å; L28-Y63 HydrophobicContact CD1-CG 4.18Å; L28-Y63 HydrophobicContact CD2-CG 4.46Å; L28-Y63 HydrophobicContact CG-CD2 4.48Å; D31-Y63 PolarHBondContact OD2-OH 2.86Å; T34-Y63 HydrophobicContact CG2-CE2 4.5Å; V59-Y63 HydrophobicContact CG1-CD2 4.15Å; V59-Y63 HydrophobicContact CG1-CE2 4.24Å; L60-Y63 PolarHBondContact O-N 2.91Å
64F95Very high95.3Very high22 Ų2269.8 Ų69.810%0.09634%0.336CS..SBendtrans-126.2155.7-174-54-73.3000111.9F21 K24 L28 L60 P61 H66 F72F21-F64 HydrophobicContact CD2-CD1 4.3Å; F21-F64 AromaticContact CD2-CE1 3.51Å; F21-F64 HydrophobicContact CD2-CE1 3.51Å; F21-F64 AromaticContact CD2-CZ 3.96Å; F21-F64 HydrophobicContact CD2-CZ 3.96Å; F21-F64 AromaticContact CE2-CE1 3.9Å; F21-F64 HydrophobicContact CE2-CE1 3.9Å; F21-F64 AromaticContact CE2-CZ 3.9Å; F21-F64 HydrophobicContact CE2-CZ 3.9Å; F21-F64 HydrophobicContact CG-CE1 4.5Å; K24-F64 HydrophobicContact CB-CE1 4Å; K24-F64 HydrophobicContact CB-CZ 4.13Å; K24-F64 HydrophobicContact CD-CE1 4.32Å; L28-F64 HydrophobicContact CD2-CE2 4.11Å; L60-F64 HydrophobicContact CD2-CD2 3.76Å; L60-F64 HydrophobicContact CD2-CE2 4.13Å; L60-F64 WeakPolarHBondContact O-CA 3.34Å; L60-F64 WeakPolarHBondContact O-CB 3.47Å; L60-F64 PolarHBondContact O-N 3.31Å; L60-F64 VanDerWaalsContact O-O 3.07Å; P61-F64 CarbonylContact C-O 3.41Å; P61-F64 WeakPolarHBondContact CA-O 3.41Å; F64-H66 PolarHBondContact O-N 3.38Å; F64-F72 HydrophobicContact CD2-CD2 4.47Å; F64-F72 AromaticContact CE2-CD2 3.96Å; F64-F72 HydrophobicContact CE2-CD2 3.96Å; F64-F72 AromaticContact CE2-CE2 3.99Å; F64-F72 HydrophobicContact CE2-CE2 3.99Å; F64-F72 HydrophobicContact CZ-CD2 4.46Å; F64-F72 HydrophobicContact CZ-CE2 4.38Å
65K94Very high95.3Very high224 Ų22467.1 Ų67.197%0.97433%0.328SS*.SBendtrans-78.829.7-178.6-61.5-172.7177.3-175.50113.6
66H95.4Very high95.4Very high57 Ų5767.1 Ų67.126%0.26433%0.328SS..  trans-157.6155.5-179.459.856.3000111.8L60 F64 S71L60-H66 CarbonylContact C-O 3.48Å; L60-H66 WeakPolarHBondContact CB-O 3.41Å; F64-H66 PolarHBondContact O-N 3.38Å; H66-S71 WeakPolarHBondContact NE2-CB 3.5Å
67N95.5Very high95.3Very high104 Ų10470.8 Ų70.856%0.55635%0.346SS*.  trans-103.115.2171.965.8-12.2000113.1A56 P61A56-N67 WeakPolarHBondContact CB-O 3.29Å; A56-N67 CarbonylContact O-C 3.57Å; A56-N67 VanDerWaalsContact O-CA 3.22Å; A56-N67 WeakPolarHBondContact O-CA 3.43Å; A56-N67 VanDerWaalsContact O-CB 3.27Å; A56-N67 WeakPolarHBondContact O-CB 3.44Å; P61-N67 HydrophobicContact CG-CB 3.88Å
68N96Very high95.3Very high79 Ų7964.8 Ų64.842%0.42232%0.321SS..  trans-97.6116.7-172.2-170.9-20.2000112A70 S71 F72N68-A70 VanDerWaalsContact C-N 3.32Å; N68-A70 PolarHBondContact O-N 3.45Å; N68-A70 WeakPolarHBondContact OD1-CB 3.41Å; N68-A70 PolarHBondContact OD1-N 3.25Å; N68-S71 WeakPolarHBondContact O-CB 3.49Å; N68-S71 PolarHBondContact O-N 3.49Å; N68-F72 PolarHBondContact O-N 2.92Å
69M95.8Very high95.4Very high23 Ų2361.7 Ų61.711%0.11331%0.306CS..Hα-helixtrans-60.8-36.9177-172.552.6157.700113V49 Q52 F55 A56 S71 F72 V73V49-M69 HydrophobicContact CB-CE 4.38Å; V49-M69 HydrophobicContact CG1-CE 3.81Å; Q52-M69 HydrophobicContact CB-CE 3.99Å; Q52-M69 HydrophobicContact CB-CG 4.43Å; Q52-M69 HydrophobicContact CG-CE 3.77Å; F55-M69 HydrophobicContact CD1-CE 4.11Å; F55-M69 HydrophobicContact CD1-SD 3.9Å; F55-M69 HydrophobicContact CE1-CE 4.29Å; F55-M69 HydrophobicContact CE1-SD 3.91Å; A56-M69 HydrophobicContact CB-CB 4.26Å; M69-S71 VanDerWaalsContact C-N 3.27Å; M69-S71 PolarHBondContact O-N 2.92Å; M69-F72 HydrophobicContact CE-CD1 4.41Å; M69-F72 WeakPolarHBondContact O-CB 3.48Å; M69-F72 PolarHBondContact O-N 3.37Å; M69-F72 VanDerWaalsContact O-N 3.17Å; M69-F72 HydrophobicContact SD-CB 4.38Å; M69-F72 HydrophobicContact SD-CD1 3.78Å; M69-F72 HydrophobicContact SD-CG 4.47Å; M69-V73 HydrophobicContact CE-CG2 4.42Å; M69-V73 HydrophobicContact CG-CG2 4.37Å; M69-V73 WeakPolarHBondContact O-CG2 3.47Å; M69-V73 PolarHBondContact O-N 2.86Å; M69-V73 HydrophobicContact SD-CG2 4.26Å
70A95.5Very high95.4Very high65 Ų6562.5 Ų62.554%0.53732%0.316SS..Hα-helixtrans-64.8-32.1177.400000112.2N68 R74N68-A70 VanDerWaalsContact C-N 3.32Å; N68-A70 PolarHBondContact O-N 3.45Å; N68-A70 WeakPolarHBondContact OD1-CB 3.41Å; N68-A70 PolarHBondContact OD1-N 3.25Å; A70-R74 WeakPolarHBondContact O-CB 3.43Å; A70-R74 PolarHBondContact O-N 2.82Å
71S95.8Very high95.5Very high42 Ų4262.8 Ų62.829%0.29432%0.317SS..Hα-helixtrans-69.1-39.5173.9-60.80000111.9H66 N68 M69 R74 Q75H66-S71 WeakPolarHBondContact NE2-CB 3.5Å; N68-S71 WeakPolarHBondContact O-CB 3.49Å; N68-S71 PolarHBondContact O-N 3.49Å; M69-S71 VanDerWaalsContact C-N 3.27Å; M69-S71 PolarHBondContact O-N 2.92Å; S71-R74 PolarHBondContact O-N 3.49Å; S71-Q75 WeakPolarHBondContact O-CG 3.35Å; S71-Q75 PolarHBondContact O-N 3.13Å; S71-Q75 VanDerWaalsContact O-N 3.09Å
72F97.3Very high95.5Very high0 Ų068.6 Ų68.60%033%0.33CS..Hα-helixtrans-63.3-51.5174176.7-102.6000111.5F21 L25 I38 F47 V49 F55 L60 F64 N68 M69 R74 Q75 L76F21-F72 HydrophobicContact CE2-CD2 4.2Å; F21-F72 HydrophobicContact CE2-CE2 4.41Å; F21-F72 HydrophobicContact CZ-CE2 4.47Å; L25-F72 HydrophobicContact CD1-CE2 3.71Å; L25-F72 HydrophobicContact CD1-CZ 3.61Å; I38-F72 HydrophobicContact CD1-CZ 4.4Å; F47-F72 HydrophobicContact CE2-CZ 4.39Å; V49-F72 HydrophobicContact CG2-CE1 4.42Å; F55-F72 AromaticContact CE1-CD1 3.97Å; F55-F72 HydrophobicContact CE1-CD1 3.97Å; F55-F72 AromaticContact CE1-CE1 3.89Å; F55-F72 HydrophobicContact CE1-CE1 3.89Å; F55-F72 HydrophobicContact CE1-CG 4.34Å; F55-F72 HydrophobicContact CE1-CZ 4.2Å; F55-F72 HydrophobicContact CZ-CD1 4.47Å; F55-F72 HydrophobicContact CZ-CE1 4.05Å; F55-F72 HydrophobicContact CZ-CE2 4.19Å; F55-F72 AromaticContact CZ-CZ 3.89Å; F55-F72 HydrophobicContact CZ-CZ 3.89Å; L60-F72 HydrophobicContact CD1-CB 4.06Å; L60-F72 HydrophobicContact CD2-CB 3.98Å; L60-F72 HydrophobicContact CD2-CD2 3.61Å; L60-F72 HydrophobicContact CD2-CE2 4.23Å; L60-F72 HydrophobicContact CD2-CG 3.85Å; F64-F72 HydrophobicContact CD2-CD2 4.47Å; F64-F72 AromaticContact CE2-CD2 3.96Å; F64-F72 HydrophobicContact CE2-CD2 3.96Å; F64-F72 AromaticContact CE2-CE2 3.99Å; F64-F72 HydrophobicContact CE2-CE2 3.99Å; F64-F72 HydrophobicContact CZ-CD2 4.46Å; F64-F72 HydrophobicContact CZ-CE2 4.38Å; N68-F72 PolarHBondContact O-N 2.92Å; M69-F72 HydrophobicContact CE-CD1 4.41Å; M69-F72 WeakPolarHBondContact O-CB 3.48Å; M69-F72 PolarHBondContact O-N 3.37Å; M69-F72 VanDerWaalsContact O-N 3.17Å; M69-F72 HydrophobicContact SD-CB 4.38Å; M69-F72 HydrophobicContact SD-CD1 3.78Å; M69-F72 HydrophobicContact SD-CG 4.47Å; F72-R74 VanDerWaalsContact C-N 3.31Å; F72-R74 PolarHBondContact O-N 2.85Å; F72-Q75 WeakPolarHBondContact O-CB 3.48Å; F72-Q75 PolarHBondContact O-N 2.93Å; F72-Q75 VanDerWaalsContact O-N 3.08Å; F72-L76 HydrophobicContact CD1-CD1 4.01Å; F72-L76 HydrophobicContact CE1-CD1 3.59Å; F72-L76 HydrophobicContact CE1-CG 4.31Å; F72-L76 HydrophobicContact CZ-CD1 4.11Å; F72-L76 HydrophobicContact CZ-CG 4.48Å; F72-L76 PolarHBondContact O-N 3.38Å
73V96.1Very high95.5Very high38 Ų3866 Ų6623%0.2332%0.318CS..Hα-helixtrans-62.1-36.5176.8175.80000111.9M69 Q75 L76 N77 F102M69-V73 HydrophobicContact CE-CG2 4.42Å; M69-V73 HydrophobicContact CG-CG2 4.37Å; M69-V73 WeakPolarHBondContact O-CG2 3.47Å; M69-V73 PolarHBondContact O-N 2.86Å; M69-V73 HydrophobicContact SD-CG2 4.26Å; V73-Q75 VanDerWaalsContact C-N 3.34Å; V73-Q75 PolarHBondContact O-N 2.83Å; V73-L76 WeakPolarHBondContact O-CB 3.43Å; V73-L76 PolarHBondContact O-N 3.31Å; V73-N77 WeakPolarHBondContact O-CB 3.35Å; V73-N77 VanDerWaalsContact O-CG 3.26Å; V73-N77 PolarHBondContact O-N 2.95Å; V73-N77 PolarHBondContact O-ND2 2.96Å; V73-F102 HydrophobicContact CG1-CE1 4.47Å; V73-F102 HydrophobicContact CG1-CZ 4.48Å; V73-F102 HydrophobicContact CG2-CZ 3.92Å
74R95.1Very high95.5Very high173 Ų17366.1 Ų66.165%0.65332%0.324SS*.Hα-helixtrans-59.5-44.6172.6-177.7-178.8-177.8100.9-0.2111.4A70 S71 F72 N77 M78A70-R74 WeakPolarHBondContact O-CB 3.43Å; A70-R74 PolarHBondContact O-N 2.82Å; S71-R74 PolarHBondContact O-N 3.49Å; F72-R74 VanDerWaalsContact C-N 3.31Å; F72-R74 PolarHBondContact O-N 2.85Å; R74-N77 PolarHBondContact O-N 3.49Å; R74-M78 VanDerWaalsContact O-CG 3.31Å; R74-M78 WeakPolarHBondContact O-CG 3.34Å; R74-M78 PolarHBondContact O-N 3.38Å
75Q95.4Very high94.9Very high46 Ų4670.2 Ų70.222%0.21535%0.351CS..Hα-helixtrans-63.3-45.9177.5-72.2-77.3107.100111.3F21 S71 F72 V73 N77 M78 Y79F21-Q75 HydrophobicContact CD1-CB 4.23Å; F21-Q75 HydrophobicContact CD2-CB 3.7Å; F21-Q75 HydrophobicContact CD2-CG 4.05Å; F21-Q75 HydrophobicContact CE1-CB 3.91Å; F21-Q75 HydrophobicContact CE2-CB 3.34Å; F21-Q75 HydrophobicContact CE2-CG 4.06Å; F21-Q75 HydrophobicContact CG-CB 4.14Å; F21-Q75 HydrophobicContact CZ-CB 3.45Å; F21-Q75 VanDerWaalsContact CZ-CB 3.45Å; S71-Q75 WeakPolarHBondContact O-CG 3.35Å; S71-Q75 PolarHBondContact O-N 3.13Å; S71-Q75 VanDerWaalsContact O-N 3.09Å; F72-Q75 WeakPolarHBondContact O-CB 3.48Å; F72-Q75 PolarHBondContact O-N 2.93Å; F72-Q75 VanDerWaalsContact O-N 3.08Å; V73-Q75 VanDerWaalsContact C-N 3.34Å; V73-Q75 PolarHBondContact O-N 2.83Å; Q75-N77 PolarHBondContact O-N 2.93Å; Q75-M78 PolarHBondContact O-N 3.12Å; Q75-M78 VanDerWaalsContact O-N 3.11Å; Q75-Y79 WeakPolarHBondContact O-CD2 3.49Å; Q75-Y79 PolarHBondContact O-N 3.05Å
76L96.8Very high93.9Very high0 Ų063.7 Ų63.70%033%0.327CS..Hα-helixtrans-52-51.4172.5-68.7178.4000111.8F21 L25 F47 F72 V73 M78 Y79 G80 F81 F102F21-L76 HydrophobicContact CE1-CD2 4.11Å; F21-L76 HydrophobicContact CZ-CD2 3.88Å; F21-L76 HydrophobicContact CZ-CG 4.18Å; L25-L76 HydrophobicContact CD1-CD2 4.36Å; L25-L76 HydrophobicContact CD2-CD2 3.49Å; L25-L76 VanDerWaalsContact CD2-CD2 3.49Å; F47-L76 HydrophobicContact CE1-CD2 4.35Å; F47-L76 HydrophobicContact CZ-CD1 3.96Å; F47-L76 HydrophobicContact CZ-CD2 3.83Å; F72-L76 HydrophobicContact CD1-CD1 4.01Å; F72-L76 HydrophobicContact CE1-CD1 3.59Å; F72-L76 HydrophobicContact CE1-CG 4.31Å; F72-L76 HydrophobicContact CZ-CD1 4.11Å; F72-L76 HydrophobicContact CZ-CG 4.48Å; F72-L76 PolarHBondContact O-N 3.38Å; V73-L76 WeakPolarHBondContact O-CB 3.43Å; V73-L76 PolarHBondContact O-N 3.31Å; L76-M78 VanDerWaalsContact C-N 3.31Å; L76-M78 PolarHBondContact O-N 3.49Å; L76-Y79 CarbonylContact O-C 3.56Å; L76-Y79 WeakPolarHBondContact O-CA 3.47Å; L76-Y79 PolarHBondContact O-N 3.3Å; L76-G80 PolarHBondContact O-N 3.42Å; L76-G80 VanDerWaalsContact O-N 3.15Å; L76-F81 HydrophobicContact CB-CB 3.93Å; L76-F81 HydrophobicContact CB-CD2 4.46Å; L76-F81 HydrophobicContact CB-CG 4.29Å; L76-F81 HydrophobicContact CD2-CB 4.33Å; L76-F81 HydrophobicContact CD2-CD1 4.03Å; L76-F81 HydrophobicContact CD2-CD2 3.97Å; L76-F81 HydrophobicContact CD2-CE1 4.33Å; L76-F81 HydrophobicContact CD2-CE2 4.28Å; L76-F81 HydrophobicContact CD2-CG 3.85Å; L76-F81 HydrophobicContact CD2-CZ 4.44Å; L76-F81 WeakPolarHBondContact O-CB 3.28Å; L76-F81 WeakPolarHBondContact O-CD2 3.42Å; L76-F81 PolarHBondContact O-N 2.91Å; L76-F81 VanDerWaalsContact O-N 3.12Å; L76-F102 HydrophobicContact CD1-CB 4.49Å; L76-F102 HydrophobicContact CD1-CD1 3.87Å; L76-F102 HydrophobicContact CD1-CD2 3.86Å; L76-F102 HydrophobicContact CD1-CE1 3.97Å; L76-F102 HydrophobicContact CD1-CE2 3.94Å; L76-F102 HydrophobicContact CD1-CG 3.82Å; L76-F102 HydrophobicContact CD1-CZ 4Å
77N95.7Very high92.5Very high87 Ų8767.8 Ų67.847%0.46535%0.349SS..Hα-helixtrans-61.3-36.6178.2-69.2-20000112.9V73 R74 Q75 Y79 G80V73-N77 WeakPolarHBondContact O-CB 3.35Å; V73-N77 VanDerWaalsContact O-CG 3.26Å; V73-N77 PolarHBondContact O-N 2.95Å; V73-N77 PolarHBondContact O-ND2 2.96Å; R74-N77 PolarHBondContact O-N 3.49Å; Q75-N77 PolarHBondContact O-N 2.93Å; N77-Y79 VanDerWaalsContact C-N 3.26Å; N77-Y79 PolarHBondContact O-N 3.49Å; N77-G80 PolarHBondContact O-N 2.83Å
78M94.5Very high91Very high37 Ų3771.3 Ų71.318%0.18236%0.362CS..Hα-helixtrans-68.3-22.3174.3-71.1-165.187.200113.3R74 Q75 L76 R120 K121R74-M78 VanDerWaalsContact O-CG 3.31Å; R74-M78 WeakPolarHBondContact O-CG 3.34Å; R74-M78 PolarHBondContact O-N 3.38Å; Q75-M78 PolarHBondContact O-N 3.12Å; Q75-M78 VanDerWaalsContact O-N 3.11Å; L76-M78 VanDerWaalsContact C-N 3.31Å; L76-M78 PolarHBondContact O-N 3.49Å; M78-R120 HydrophobicContact CB-CG 4.33Å; M78-R120 CarbonylContact O-C 3.44Å; M78-R120 WeakPolarHBondContact O-CA 3.3Å; M78-R120 PolarHBondContact SD-NH2 3.23Å; M78-K121 WeakPolarHBondContact O-CB 3.48Å; M78-K121 PolarHBondContact O-N 3.11Å
79Y95.8Very high89.2Confident15 Ų1573 Ų736%0.05937%0.367CS..THydrogen-bonded Turntrans-97.910.2172.7-71.2-69.9000113.4P19 F21 L22 Q75 L76 N77 F81 I118 R120P19-Y79 HydrophobicContact CB-CE1 4.05Å; P19-Y79 WeakPolarHBondContact CB-OH 3.42Å; P19-Y79 HydrophobicContact CG-CE1 3.88Å; F21-Y79 HydrophobicContact CB-CE2 3.99Å; F21-Y79 AromaticContact CD1-CD2 3.33Å; F21-Y79 HydrophobicContact CD1-CD2 3.33Å; F21-Y79 AromaticContact CD1-CE2 3.41Å; F21-Y79 HydrophobicContact CD1-CE2 3.41Å; F21-Y79 VanDerWaalsContact CD1-CE2 3.41Å; F21-Y79 HydrophobicContact CD1-CG 4.38Å; F21-Y79 AromaticContact CE1-CD2 3.72Å; F21-Y79 HydrophobicContact CE1-CD2 3.72Å; F21-Y79 HydrophobicContact CE1-CE2 4.22Å; F21-Y79 HydrophobicContact CG-CD2 4.27Å; F21-Y79 AromaticContact CG-CE2 3.93Å; F21-Y79 HydrophobicContact CG-CE2 3.93Å; L22-Y79 HydrophobicContact CD1-CD1 4.09Å; L22-Y79 HydrophobicContact CD1-CE1 4.32Å; L22-Y79 HydrophobicContact CD2-CD1 4.18Å; L22-Y79 HydrophobicContact CD2-CD2 4.12Å; L22-Y79 HydrophobicContact CD2-CG 3.84Å; L22-Y79 HydrophobicContact CG-CD1 4.26Å; L22-Y79 HydrophobicContact CG-CE1 4.44Å; L22-Y79 HydrophobicContact CG-CG 4.35Å; Q75-Y79 WeakPolarHBondContact O-CD2 3.49Å; Q75-Y79 PolarHBondContact O-N 3.05Å; L76-Y79 CarbonylContact O-C 3.56Å; L76-Y79 WeakPolarHBondContact O-CA 3.47Å; L76-Y79 PolarHBondContact O-N 3.3Å; N77-Y79 VanDerWaalsContact C-N 3.26Å; N77-Y79 PolarHBondContact O-N 3.49Å; Y79-F81 VanDerWaalsContact C-N 3.31Å; Y79-F81 PolarHBondContact O-N 3.26Å; Y79-I118 HydrophobicContact CD1-CG2 4.19Å; Y79-I118 HydrophobicContact CG-CG2 4.45Å; Y79-I118 WeakPolarHBondContact O-CG2 3.41Å; Y79-R120 HydrophobicContact CD1-CB 4.05Å; Y79-R120 HydrophobicContact CD1-CG 4.38Å; Y79-R120 HydrophobicContact CE1-CB 3.51Å; Y79-R120 HydrophobicContact CE1-CG 3.86Å
80G95.2Very high87.4Confident22 Ų2277.1 Ų77.123%0.22740%0.398CS..THydrogen-bonded Turntrans79.27.6173.400000115.3L76 N77L76-G80 PolarHBondContact O-N 3.42Å; L76-G80 VanDerWaalsContact O-N 3.15Å; N77-G80 PolarHBondContact O-N 2.83Å
81F97.3Very high85.6Confident6 Ų676.5 Ų76.53%0.02640%0.398CS..  trans-59.4148169.8-71.2-103.8000110.2L22 L25 F47 L76 Y79 Q103 H104 F107 I118L22-F81 HydrophobicContact CD2-CE2 3.79Å; L22-F81 HydrophobicContact CD2-CZ 4.2Å; L25-F81 HydrophobicContact CD2-CE1 4.04Å; L25-F81 HydrophobicContact CD2-CE2 4.25Å; L25-F81 HydrophobicContact CD2-CZ 3.68Å; F47-F81 AromaticContact CE1-CD1 3.91Å; F47-F81 HydrophobicContact CE1-CD1 3.91Å; F47-F81 AromaticContact CE1-CE1 3.79Å; F47-F81 HydrophobicContact CE1-CE1 3.79Å; L76-F81 HydrophobicContact CB-CB 3.93Å; L76-F81 HydrophobicContact CB-CD2 4.46Å; L76-F81 HydrophobicContact CB-CG 4.29Å; L76-F81 HydrophobicContact CD2-CB 4.33Å; L76-F81 HydrophobicContact CD2-CD1 4.03Å; L76-F81 HydrophobicContact CD2-CD2 3.97Å; L76-F81 HydrophobicContact CD2-CE1 4.33Å; L76-F81 HydrophobicContact CD2-CE2 4.28Å; L76-F81 HydrophobicContact CD2-CG 3.85Å; L76-F81 HydrophobicContact CD2-CZ 4.44Å; L76-F81 WeakPolarHBondContact O-CB 3.28Å; L76-F81 WeakPolarHBondContact O-CD2 3.42Å; L76-F81 PolarHBondContact O-N 2.91Å; L76-F81 VanDerWaalsContact O-N 3.12Å; Y79-F81 VanDerWaalsContact C-N 3.31Å; Y79-F81 PolarHBondContact O-N 3.26Å; F81-Q103 WeakPolarHBondContact CA-O 3.41Å; F81-H104 HydrophobicContact CD1-CB 3.52Å; F81-H104 HydrophobicContact CD2-CB 4.23Å; F81-H104 HydrophobicContact CE1-CB 3.6Å; F81-H104 HydrophobicContact CE2-CB 4.3Å; F81-H104 HydrophobicContact CG-CB 3.85Å; F81-H104 HydrophobicContact CZ-CB 4Å; F81-F107 HydrophobicContact CE1-CB 3.7Å; F81-F107 AromaticContact CE1-CD1 3.8Å; F81-F107 HydrophobicContact CE1-CD1 3.8Å; F81-F107 AromaticContact CE1-CD2 3.93Å; F81-F107 HydrophobicContact CE1-CD2 3.93Å; F81-F107 HydrophobicContact CE1-CE1 4.42Å; F81-F107 AromaticContact CE1-CG 3.52Å; F81-F107 HydrophobicContact CE1-CG 3.52Å; F81-F107 HydrophobicContact CZ-CB 3.83Å; F81-F107 HydrophobicContact CZ-CD1 4.32Å; F81-F107 AromaticContact CZ-CD2 3.58Å; F81-F107 HydrophobicContact CZ-CD2 3.58Å; F81-F107 HydrophobicContact CZ-CE2 4.23Å; F81-F107 AromaticContact CZ-CG 3.65Å; F81-F107 HydrophobicContact CZ-CG 3.65Å; F81-I118 HydrophobicContact CE2-CG2 4.39Å; F81-I118 HydrophobicContact CZ-CD1 4.3Å
82R95.8Very high83.8Confident190 Ų19083.5 Ų83.572%0.71743%0.431SS*.EExtended strand (participates in β ladder)trans-121.5135.6178.9-60.3-178.4-177.6-88.14.8108.9V84 F102 Q103R82-V84 PolarHBondContact O-N 3.49Å; R82-F102 WeakPolarHBondContact O-CA 3.35Å; R82-Q103 PolarHBondContact N-O 2.96Å; R82-Q103 PolarHBondContact O-N 3.44Å
83K95Very high82.1Confident108 Ų10889 Ų8947%0.4747%0.465SS..EExtended strand (participates in β ladder)trans-69126.3166.2173.2164.3176.3153.10108.1V85 T100 E101 F102K83-V85 HydrophobicContact CG-CG2 4.42Å; K83-T100 HydrophobicContact CD-CG2 3.61Å; K83-T100 HydrophobicContact CG-CG2 4.07Å; K83-T100 PolarHBondContact NZ-OG1 3.07Å; K83-E101 WeakPolarHBondContact CA-O 3.37Å; K83-F102 HydrophobicContact CB-CD1 4.12Å; K83-F102 HydrophobicContact CB-CE1 3.93Å
84V92.1Very high80.4Confident50 Ų5095.8 Ų95.830%0.30349%0.491SS..  trans-76.6132.4169.3-175.40000107.2R82 E101 Q103R82-V84 PolarHBondContact O-N 3.49Å; V84-E101 HydrophobicContact CB-CB 4.06Å; V84-E101 HydrophobicContact CB-CG 4.03Å; V84-E101 HydrophobicContact CG2-CB 4.4Å; V84-E101 HydrophobicContact CG2-CG 3.86Å; V84-E101 PolarHBondContact N-O 2.86Å; V84-Q103 HydrophobicContact CG2-CB 3.91Å
85V83.6Confident78.8Confident108 Ų10890.6 Ų90.666%0.65548%0.48SS*.  trans-114.3105.8-179.1179.20000107.5K83 I87K83-V85 HydrophobicContact CG-CG2 4.42Å; V85-I87 PolarHBondContact O-N 2.99Å
86N72Confident77.3Confident88 Ų8896.3 Ų96.347%0.47151%0.507SS..  trans-80.7102.5179.6-153.624.6000109.5E88 Q89N86-E88 PolarHBondContact O-N 3.22Å; N86-Q89 PolarHBondContact O-N 3.06Å; N86-Q89 VanDerWaalsContact O-N 3.15Å
87I66.6Low76Confident142 Ų142103.9 Ų103.973%0.72854%0.535SS*.G310 helixtrans-60.4-32.9-169.4-61.5170.6000111.6V85 Q89 S90V85-I87 PolarHBondContact O-N 2.99Å; I87-Q89 PolarHBondContact O-N 3.25Å; I87-S90 VanDerWaalsContact O-CB 3.3Å; I87-S90 WeakPolarHBondContact O-CB 3.35Å; I87-S90 PolarHBondContact O-N 2.92Å; I87-S90 VanDerWaalsContact O-N 3.11Å
88E64.3Low75.4Confident178 Ų178104.2 Ų104.283%0.83254%0.537SS*.G310 helixtrans-63.3-24-179.1-57.5-174.2163.800113.6N86 S90N86-E88 PolarHBondContact O-N 3.22Å; E88-S90 VanDerWaalsContact C-N 3.32Å
89Q57.8Low75.1Confident115 Ų115105.4 Ų105.454%0.53754%0.544SS..G310 helixtrans-86.82.6178.3-68.2176.1-13.100113.5N86 I87 G91N86-Q89 PolarHBondContact O-N 3.06Å; N86-Q89 VanDerWaalsContact O-N 3.15Å; I87-Q89 PolarHBondContact O-N 3.25Å; Q89-G91 VanDerWaalsContact C-N 3.26Å; Q89-G91 PolarHBondContact O-N 3.02Å
90S58.3Low75Confident109 Ų109105.1 Ų105.176%0.76254%0.544SS*.G310 helixtrans-80.60.2179.5-166.60000114.2I87 E88I87-S90 VanDerWaalsContact O-CB 3.3Å; I87-S90 WeakPolarHBondContact O-CB 3.35Å; I87-S90 PolarHBondContact O-N 2.92Å; I87-S90 VanDerWaalsContact O-N 3.11Å; E88-S90 VanDerWaalsContact C-N 3.32Å
91G56.8Low75Confident52 Ų52106.1 Ų106.154%0.53654%0.543SS..SBendtrans-106.595.6-173.500000114.7Q89 V93Q89-G91 VanDerWaalsContact C-N 3.26Å; Q89-G91 PolarHBondContact O-N 3.02Å; G91-V93 PolarHBondContact O-N 2.92Å
92L58.7Low75Confident189 Ų189106 Ų10699%0.9954%0.542SS*.SBendtrans56-24162.6-150.273.6000119.5
93V62.2Low75.1Confident117 Ų117101 Ų10171%0.70953%0.527SS*.SBendtrans-91.9113.4177.3-176.90000108.3G91G91-V93 PolarHBondContact O-N 2.92Å
94K58.6Low75.2Confident179 Ų17997.3 Ų97.378%0.77851%0.511SS*.  trans-58123.5172.3-170.1179.7-177.8-174.70108.1E96K94-E96 PolarHBondContact O-N 2.97Å
95P62.6Low75.4Confident64 Ų64101 Ų10142%0.41653%0.529SS..  trans-57.4137.3-18022.9-32.8000109.6R97P95-R97 PolarHBondContact O-N 3.25Å
96E63.5Low76Confident166 Ų166100.2 Ų100.278%0.77651%0.514SS*.SBendtrans-58.3-24.2-174.7-171.9-169.6114.100112.4K94K94-E96 PolarHBondContact O-N 2.97Å
97R69.3Low77.3Confident160 Ų16096 Ų9660%0.60449%0.492SS*.SBendtrans-139.9146.1-175.2-50.3-177.7-162.9-1766.6109.7P95 D99P95-R97 PolarHBondContact O-N 3.25Å; R97-D99 PolarHBondContact O-N 3.33Å
98D82.9Confident78.7Confident93 Ų9391.2 Ų91.250%0.49747%0.468SS..  trans-75.666.5174.5-76.9-20.1000110.7F50 D51F50-D98 WeakPolarHBondContact CA-O 3.4Å; D51-D98 PolarHBondContact N-O 3.31Å
99D89.6Confident80.2Confident63 Ų6386.8 Ų86.834%0.33745%0.447SS..  trans-78.3140.6172.8-171.9-0.2000110.6H48 F50 R97H48-D99 IonicContact CE1-OD2 3.23Å; H48-D99 IonicContact CG-OD1 3.83Å; H48-D99 IonicContact ND1-OD1 3.63Å; H48-D99 PolarHBondContact ND1-OD1 3.3Å; H48-D99 IonicContact ND1-OD2 2.93Å; H48-D99 PolarHBondContact ND1-OD2 2.88Å; H48-D99 VanDerWaalsContact ND1-OD2 3.16Å; F50-D99 HydrophobicContact CD1-CB 3.96Å; F50-D99 HydrophobicContact CE1-CB 3.99Å; F50-D99 VanDerWaalsContact CE1-CG 3.49Å; R97-D99 PolarHBondContact O-N 3.33Å
100T93.4Very high81.9Confident8 Ų884 Ų845%0.04945%0.449CS..EExtended strand (participates in β ladder)trans-148.4114.2167.7-74.20000110V49 Q52 K83 F102V49-T100 PolarHBondContact N-O 2.91Å; V49-T100 PolarHBondContact O-N 3.23Å; Q52-T100 PolarHBondContact NE2-OG1 2.92Å; K83-T100 HydrophobicContact CD-CG2 3.61Å; K83-T100 HydrophobicContact CG-CG2 4.07Å; K83-T100 PolarHBondContact NZ-OG1 3.07Å; T100-F102 HydrophobicContact CG2-CD2 4.15Å; T100-F102 HydrophobicContact CG2-CE1 4.38Å; T100-F102 HydrophobicContact CG2-CE2 3.49Å; T100-F102 VanDerWaalsContact CG2-CE2 3.49Å; T100-F102 HydrophobicContact CG2-CZ 3.61Å
101E95.5Very high83.5Confident44 Ų4483.2 Ų83.221%0.20643%0.433CS..EExtended strand (participates in β ladder)trans-87.1138.6177.2-176.3-172.8177.500112S46 F47 H48 K83 V84S46-E101 WeakPolarHBondContact CB-OE1 3.48Å; S46-E101 PolarHBondContact OG-OE1 3.46Å; F47-E101 CarbonylContact O-C 3.5Å; F47-E101 WeakPolarHBondContact O-CA 3.42Å; H48-E101 IonicContact CE1-OE2 3.16Å; K83-E101 WeakPolarHBondContact CA-O 3.37Å; V84-E101 HydrophobicContact CB-CB 4.06Å; V84-E101 HydrophobicContact CB-CG 4.03Å; V84-E101 HydrophobicContact CG2-CB 4.4Å; V84-E101 HydrophobicContact CG2-CG 3.86Å; V84-E101 PolarHBondContact N-O 2.86Å
102F97.4Very high85.3Confident4 Ų484.9 Ų84.92%0.01843%0.427CS..EExtended strand (participates in β ladder)trans-124.8138.9171.6-65.4-83000111.2S46 F47 V49 V73 L76 R82 K83 T100S46-F102 WeakPolarHBondContact CA-O 3.43Å; S46-F102 WeakPolarHBondContact CB-O 3.27Å; F47-F102 HydrophobicContact CD1-CB 4.3Å; F47-F102 HydrophobicContact CE1-CB 3.72Å; F47-F102 HydrophobicContact CE2-CB 4.09Å; F47-F102 AromaticContact CE2-CD2 3.89Å; F47-F102 HydrophobicContact CE2-CD2 3.89Å; F47-F102 HydrophobicContact CE2-CG 4.4Å; F47-F102 HydrophobicContact CZ-CB 3.6Å; F47-F102 HydrophobicContact CZ-CD2 4.04Å; F47-F102 HydrophobicContact CZ-CG 4.12Å; F47-F102 PolarHBondContact N-O 3.15Å; F47-F102 PolarHBondContact O-N 3.45Å; V49-F102 HydrophobicContact CG2-CD2 4.28Å; V49-F102 HydrophobicContact CG2-CE2 4.32Å; V73-F102 HydrophobicContact CG1-CE1 4.47Å; V73-F102 HydrophobicContact CG1-CZ 4.48Å; V73-F102 HydrophobicContact CG2-CZ 3.92Å; L76-F102 HydrophobicContact CD1-CB 4.49Å; L76-F102 HydrophobicContact CD1-CD1 3.87Å; L76-F102 HydrophobicContact CD1-CD2 3.86Å; L76-F102 HydrophobicContact CD1-CE1 3.97Å; L76-F102 HydrophobicContact CD1-CE2 3.94Å; L76-F102 HydrophobicContact CD1-CG 3.82Å; L76-F102 HydrophobicContact CD1-CZ 4Å; R82-F102 WeakPolarHBondContact O-CA 3.35Å; K83-F102 HydrophobicContact CB-CD1 4.12Å; K83-F102 HydrophobicContact CB-CE1 3.93Å; T100-F102 HydrophobicContact CG2-CD2 4.15Å; T100-F102 HydrophobicContact CG2-CE1 4.38Å; T100-F102 HydrophobicContact CG2-CE2 3.49Å; T100-F102 VanDerWaalsContact CG2-CE2 3.49Å; T100-F102 HydrophobicContact CG2-CZ 3.61Å
103Q96.9Very high86.9Confident84 Ų8481.5 Ų81.539%0.39341%0.406SS..EExtended strand (participates in β ladder)trans-127.9146.4-179.4178.8164.381.800112T45 F81 R82 V84T45-Q103 WeakPolarHBondContact O-CG 3.28Å; T45-Q103 PolarHBondContact O-NE2 2.99Å; F81-Q103 WeakPolarHBondContact CA-O 3.41Å; R82-Q103 PolarHBondContact N-O 2.96Å; R82-Q103 PolarHBondContact O-N 3.44Å; V84-Q103 HydrophobicContact CG2-CB 3.91Å
104H97.7Very high88.4Confident31 Ų3178.1 Ų78.114%0.14438%0.383CS..  trans-148.9137.4165.5-178.3-86.1000110.2F81 Y106 F107F81-H104 HydrophobicContact CD1-CB 3.52Å; F81-H104 HydrophobicContact CD2-CB 4.23Å; F81-H104 HydrophobicContact CE1-CB 3.6Å; F81-H104 HydrophobicContact CE2-CB 4.3Å; F81-H104 HydrophobicContact CG-CB 3.85Å; F81-H104 HydrophobicContact CZ-CB 4Å; H104-Y106 AromaticContact CE1-CD2 3.87Å; H104-Y106 PolarHBondContact ND1-N 3.31Å; H104-Y106 VanDerWaalsContact ND1-N 3.2Å; H104-Y106 PolarHBondContact O-N 2.82Å; H104-Y106 VanDerWaalsContact O-N 3.09Å; H104-F107 HydrophobicContact CB-CB 3.89Å; H104-F107 PolarHBondContact O-N 2.99Å
105L96.7Very high90.1Very high128 Ų12869.6 Ų69.667%0.6735%0.346SS*.THydrogen-bonded Turntrans-55.4-33.7-170.8-175.564.3000114.5
106Y96.2Very high91.6Very high90 Ų9071 Ų7135%0.35335%0.347SS..THydrogen-bonded Turntrans-10715.5-179.7-50.1-49.7000113.7H104 M114 H117H104-Y106 AromaticContact CE1-CD2 3.87Å; H104-Y106 PolarHBondContact ND1-N 3.31Å; H104-Y106 VanDerWaalsContact ND1-N 3.2Å; H104-Y106 PolarHBondContact O-N 2.82Å; H104-Y106 VanDerWaalsContact O-N 3.09Å; Y106-M114 HydrophobicContact CD1-CE 3.66Å; Y106-M114 HydrophobicContact CE1-CE 4.3Å; Y106-M114 HydrophobicContact CG-CE 4.45Å; Y106-M114 CarbonylContact O-C 3.6Å; Y106-M114 WeakPolarHBondContact O-CB 3.37Å; Y106-H117 HydrophobicContact CD1-CB 4.44Å; Y106-H117 HydrophobicContact CD2-CB 3.44Å; Y106-H117 VanDerWaalsContact CD2-CB 3.44Å; Y106-H117 HydrophobicContact CE2-CB 3.91Å; Y106-H117 HydrophobicContact CG-CB 3.75Å
107F97.3Very high93Very high1 Ų167.4 Ų67.40%0.00433%0.33CS..  trans-111.293.2174.6-171-93.7000108.8L25 W26 V29 W40 F47 F81 H104 L115 I118L25-F107 HydrophobicContact CB-CE2 4.39Å; L25-F107 HydrophobicContact CD2-CD2 4.46Å; L25-F107 HydrophobicContact CD2-CE2 3.82Å; L25-F107 HydrophobicContact CD2-CZ 3.92Å; L25-F107 HydrophobicContact CG-CE2 3.89Å; L25-F107 HydrophobicContact CG-CZ 3.69Å; W26-F107 HydrophobicContact CB-CE2 3.86Å; W26-F107 HydrophobicContact CB-CZ 4.19Å; W26-F107 AromaticContact CD1-CE2 3.99Å; W26-F107 HydrophobicContact CG-CE2 4.36Å; V29-F107 HydrophobicContact CG2-CE1 4.33Å; V29-F107 HydrophobicContact CG2-CZ 4.22Å; W40-F107 HydrophobicContact CE3-CE1 4.44Å; W40-F107 AromaticContact CH2-CD1 3.54Å; W40-F107 HydrophobicContact CH2-CD1 3.54Å; W40-F107 AromaticContact CH2-CE1 3.18Å; W40-F107 HydrophobicContact CH2-CE1 3.18Å; W40-F107 HydrophobicContact CH2-CG 4.35Å; W40-F107 AromaticContact CH2-CZ 3.73Å; W40-F107 HydrophobicContact CH2-CZ 3.73Å; W40-F107 HydrophobicContact CZ2-CE1 4.09Å; W40-F107 HydrophobicContact CZ2-CZ 4.34Å; W40-F107 AromaticContact CZ3-CD1 3.52Å; W40-F107 HydrophobicContact CZ3-CD1 3.52Å; W40-F107 AromaticContact CZ3-CE1 3.41Å; W40-F107 HydrophobicContact CZ3-CE1 3.41Å; W40-F107 VanDerWaalsContact CZ3-CE1 3.41Å; W40-F107 HydrophobicContact CZ3-CZ 4.38Å; F47-F107 AromaticContact CD1-CD1 3.94Å; F47-F107 HydrophobicContact CD1-CD1 3.94Å; F47-F107 AromaticContact CD1-CE1 3.56Å; F47-F107 HydrophobicContact CD1-CE1 3.56Å; F47-F107 HydrophobicContact CD1-CZ 4.5Å; F47-F107 HydrophobicContact CE1-CD1 4.3Å; F47-F107 AromaticContact CE1-CE1 3.98Å; F47-F107 HydrophobicContact CE1-CE1 3.98Å; F47-F107 HydrophobicContact CG-CE1 4.42Å; F81-F107 HydrophobicContact CE1-CB 3.7Å; F81-F107 AromaticContact CE1-CD1 3.8Å; F81-F107 HydrophobicContact CE1-CD1 3.8Å; F81-F107 AromaticContact CE1-CD2 3.93Å; F81-F107 HydrophobicContact CE1-CD2 3.93Å; F81-F107 HydrophobicContact CE1-CE1 4.42Å; F81-F107 AromaticContact CE1-CG 3.52Å; F81-F107 HydrophobicContact CE1-CG 3.52Å; F81-F107 HydrophobicContact CZ-CB 3.83Å; F81-F107 HydrophobicContact CZ-CD1 4.32Å; F81-F107 AromaticContact CZ-CD2 3.58Å; F81-F107 HydrophobicContact CZ-CD2 3.58Å; F81-F107 HydrophobicContact CZ-CE2 4.23Å; F81-F107 AromaticContact CZ-CG 3.65Å; F81-F107 HydrophobicContact CZ-CG 3.65Å; H104-F107 HydrophobicContact CB-CB 3.89Å; H104-F107 PolarHBondContact O-N 2.99Å; F107-L115 HydrophobicContact CD2-CD2 3.42Å; F107-L115 VanDerWaalsContact CD2-CD2 3.42Å; F107-L115 HydrophobicContact CE2-CD2 3.82Å; F107-I118 HydrophobicContact CB-CD1 3.93Å; F107-I118 HydrophobicContact CD2-CD1 4.13Å
108L96.3Very high94.2Very high41 Ų4159.9 Ų59.922%0.21530%0.301CS..  trans-128.4145.4-169.3-55.7175.6000110.6W26 W40 G44 T45 H111W26-L108 PolarHBondContact NE1-O 3.15Å; W26-L108 VanDerWaalsContact NE1-O 3.13Å; W40-L108 VanDerWaalsContact CH2-C 3.44Å; G44-L108 WeakPolarHBondContact O-CA 3.29Å; T45-L108 HydrophobicContact CG2-CD2 4.03Å; L108-H111 HydrophobicContact CB-CB 4.14Å; L108-H111 PolarHBondContact O-N 3.13Å
109Q96.1Very high94.6Very high85 Ų8561.8 Ų61.840%0.39731%0.306SS..THydrogen-bonded Turntrans-59.8138.5175.8-173.3170.222.700110.9W40 G44 H111W40-Q109 VanDerWaalsContact CD1-CD 3.46Å; W40-Q109 HydrophobicContact CD2-CB 3.65Å; W40-Q109 HydrophobicContact CD2-CG 4.04Å; W40-Q109 HydrophobicContact CE3-CB 3.99Å; W40-Q109 HydrophobicContact CG-CB 3.92Å; W40-Q109 HydrophobicContact CG-CG 3.89Å; W40-Q109 HydrophobicContact CZ2-CB 4.25Å; W40-Q109 HydrophobicContact CZ3-CB 4.42Å; G44-Q109 PolarHBondContact O-N 2.85Å; Q109-H111 PolarHBondContact O-CD2 3.16Å; Q109-H111 PolarHBondContact O-N 3.19Å
110G93.3Very high94.8Very high56 Ų5664.7 Ų64.758%0.57731%0.312SS*.THydrogen-bonded Turntrans68.2-7.8-179.700000116.7
111H93Very high94.6Very high93 Ų9371 Ų7143%0.43134%0.338SS..  trans-111.454.7-175.7-68.4-84.9000112.8L108 Q109 H113 M114L108-H111 HydrophobicContact CB-CB 4.14Å; L108-H111 PolarHBondContact O-N 3.13Å; Q109-H111 PolarHBondContact O-CD2 3.16Å; Q109-H111 PolarHBondContact O-N 3.19Å; H111-H113 AromaticContact ND1-CE1 3.54Å; H111-H113 AromaticContact ND1-NE2 3.85Å; H111-H113 PolarHBondContact O-N 3.39Å; H111-H113 VanDerWaalsContact O-N 3.14Å; H111-M114 HydrophobicContact CB-CG 3.93Å; H111-M114 WeakPolarHBondContact O-CB 3.39Å; H111-M114 PolarHBondContact O-N 3.14Å
112E93.5Very high93.8Very high86 Ų8674.2 Ų74.240%0.40236%0.361SS..G310 helixtrans-54.4-34.5-177.9-167.2-173.4-179.100113.5W26 M114 L115W26-E112 HydrophobicContact CD2-CB 4.06Å; W26-E112 HydrophobicContact CD2-CG 3.96Å; W26-E112 HydrophobicContact CE3-CB 4.19Å; W26-E112 HydrophobicContact CE3-CG 3.91Å; W26-E112 HydrophobicContact CG-CG 4.45Å; W26-E112 HydrophobicContact CH2-CB 4.12Å; W26-E112 HydrophobicContact CZ2-CB 3.96Å; W26-E112 HydrophobicContact CZ3-CB 4.21Å; W26-E112 HydrophobicContact CZ3-CG 4.28Å; E112-M114 PolarHBondContact O-N 3.49Å; E112-M114 VanDerWaalsContact O-N 3.12Å; E112-L115 HydrophobicContact CG-CD1 3.74Å; E112-L115 VanDerWaalsContact O-CB 3.26Å; E112-L115 WeakPolarHBondContact O-CB 3.44Å; E112-L115 WeakPolarHBondContact O-CG 3.36Å; E112-L115 PolarHBondContact O-N 3.23Å
113H92Very high91.9Very high119 Ų11978.7 Ų78.755%0.55139%0.392SS*.G310 helixtrans-58.1-27.5177.257.4-90.1000113.3H111 L115 E116H111-H113 AromaticContact ND1-CE1 3.54Å; H111-H113 AromaticContact ND1-NE2 3.85Å; H111-H113 PolarHBondContact O-N 3.39Å; H111-H113 VanDerWaalsContact O-N 3.14Å; H113-L115 PolarHBondContact O-N 3.28Å; H113-E116 WeakPolarHBondContact O-CG 3.46Å; H113-E116 PolarHBondContact O-N 2.86Å
114M93.6Very high89.8Confident45 Ų4581 Ų8122%0.22241%0.406CS..G310 helixtrans-67-18.7178.9-64.5-64.1-72.700113.1Y106 H111 E112 E116 H117Y106-M114 HydrophobicContact CD1-CE 3.66Å; Y106-M114 HydrophobicContact CE1-CE 4.3Å; Y106-M114 HydrophobicContact CG-CE 4.45Å; Y106-M114 CarbonylContact O-C 3.6Å; Y106-M114 WeakPolarHBondContact O-CB 3.37Å; H111-M114 HydrophobicContact CB-CG 3.93Å; H111-M114 WeakPolarHBondContact O-CB 3.39Å; H111-M114 PolarHBondContact O-N 3.14Å; E112-M114 PolarHBondContact O-N 3.49Å; E112-M114 VanDerWaalsContact O-N 3.12Å; M114-E116 PolarHBondContact O-N 3.49Å; M114-E116 VanDerWaalsContact O-N 3.1Å; M114-H117 WeakPolarHBondContact O-CB 3.38Å; M114-H117 PolarHBondContact O-N 2.95Å; M114-H117 PolarHBondContact O-ND1 3.29Å
115L94.6Very high87.7Confident1 Ų185.7 Ų85.71%0.00544%0.437CS..G310 helixtrans-57.6-25.9177.4-62.3178.2000113.1V18 L22 W26 F107 E112 H113 H117 I118V18-L115 HydrophobicContact CG1-CB 3.89Å; V18-L115 HydrophobicContact CG1-CD1 4.47Å; V18-L115 HydrophobicContact CG2-CB 4.19Å; L22-L115 HydrophobicContact CB-CD2 4.45Å; W26-L115 HydrophobicContact CB-CD1 3.72Å; W26-L115 HydrophobicContact CB-CD2 4.38Å; W26-L115 HydrophobicContact CG-CD1 3.98Å; F107-L115 HydrophobicContact CD2-CD2 3.42Å; F107-L115 VanDerWaalsContact CD2-CD2 3.42Å; F107-L115 HydrophobicContact CE2-CD2 3.82Å; E112-L115 HydrophobicContact CG-CD1 3.74Å; E112-L115 VanDerWaalsContact O-CB 3.26Å; E112-L115 WeakPolarHBondContact O-CB 3.44Å; E112-L115 WeakPolarHBondContact O-CG 3.36Å; E112-L115 PolarHBondContact O-N 3.23Å; H113-L115 PolarHBondContact O-N 3.28Å; L115-H117 PolarHBondContact O-N 3.38Å; L115-I118 HydrophobicContact CD2-CD1 3.78Å; L115-I118 WeakPolarHBondContact O-CB 3.38Å; L115-I118 PolarHBondContact O-N 3.3Å; L115-I118 VanDerWaalsContact O-N 3.11Å
116E94.2Very high85.5Confident92 Ų9287.4 Ų87.443%0.4344%0.439SS..G310 helixtrans-64.6-24177.878.5-175.1164.300113.2V18 H113 M114 I118 K119V18-E116 HydrophobicContact CG2-CB 3.96Å; H113-E116 WeakPolarHBondContact O-CG 3.46Å; H113-E116 PolarHBondContact O-N 2.86Å; M114-E116 PolarHBondContact O-N 3.49Å; M114-E116 VanDerWaalsContact O-N 3.1Å; E116-I118 VanDerWaalsContact C-N 3.31Å; E116-K119 WeakPolarHBondContact O-CE 3.34Å; E116-K119 PolarHBondContact O-NZ 2.89Å
117H93.1Very high83.3Confident91 Ų9186.8 Ų86.842%0.42145%0.448SS..G310 helixtrans-79.4-15177.7-6285.8000112.5Y106 M114 L115 K119Y106-H117 HydrophobicContact CD1-CB 4.44Å; Y106-H117 HydrophobicContact CD2-CB 3.44Å; Y106-H117 VanDerWaalsContact CD2-CB 3.44Å; Y106-H117 HydrophobicContact CE2-CB 3.91Å; Y106-H117 HydrophobicContact CG-CB 3.75Å; M114-H117 WeakPolarHBondContact O-CB 3.38Å; M114-H117 PolarHBondContact O-N 2.95Å; M114-H117 PolarHBondContact O-ND1 3.29Å; L115-H117 PolarHBondContact O-N 3.38Å; H117-K119 PolarHBondContact O-N 3Å
118I94.6Very high80.7Confident2 Ų292.3 Ų92.31%0.0147%0.474CS..  trans-82.6103.3179.2-47.6-176.4000109.4L22 Y79 F81 F107 L115 E116L22-I118 HydrophobicContact CD1-CB 3.59Å; L22-I118 HydrophobicContact CD1-CD1 4.32Å; L22-I118 HydrophobicContact CD1-CG1 4.43Å; L22-I118 HydrophobicContact CD1-CG2 3.74Å; L22-I118 HydrophobicContact CD2-CD1 4.33Å; L22-I118 HydrophobicContact CD2-CG2 4.04Å; Y79-I118 HydrophobicContact CD1-CG2 4.19Å; Y79-I118 HydrophobicContact CG-CG2 4.45Å; Y79-I118 WeakPolarHBondContact O-CG2 3.41Å; F81-I118 HydrophobicContact CE2-CG2 4.39Å; F81-I118 HydrophobicContact CZ-CD1 4.3Å; F107-I118 HydrophobicContact CB-CD1 3.93Å; F107-I118 HydrophobicContact CD2-CD1 4.13Å; L115-I118 HydrophobicContact CD2-CD1 3.78Å; L115-I118 WeakPolarHBondContact O-CB 3.38Å; L115-I118 PolarHBondContact O-N 3.3Å; L115-I118 VanDerWaalsContact O-N 3.11Å; E116-I118 VanDerWaalsContact C-N 3.31Å
119K92.3Very high78.2Confident134 Ų13495 Ų9558%0.58349%0.485SS*.  trans-97.1141.8178.8-56-49.9-172.2-1680111.6E116 H117 K121E116-K119 WeakPolarHBondContact O-CE 3.34Å; E116-K119 PolarHBondContact O-NZ 2.89Å; H117-K119 PolarHBondContact O-N 3Å; K119-K121 PolarHBondContact O-N 3.48Å
120R92.6Very high76Confident124 Ų12494.7 Ų94.747%0.46849%0.489SS..  trans-66124.9173.2-161.8-178.8-173.5-164.44.7109.3M78 Y79 V122M78-R120 HydrophobicContact CB-CG 4.33Å; M78-R120 CarbonylContact O-C 3.44Å; M78-R120 WeakPolarHBondContact O-CA 3.3Å; M78-R120 PolarHBondContact SD-NH2 3.23Å; Y79-R120 HydrophobicContact CD1-CB 4.05Å; Y79-R120 HydrophobicContact CD1-CG 4.38Å; Y79-R120 HydrophobicContact CE1-CB 3.51Å; Y79-R120 HydrophobicContact CE1-CG 3.86Å; R120-V122 PolarHBondContact O-N 2.85Å
121K90.1Very high73.9Confident139 Ų13997.5 Ų97.560%0.60449%0.485SS*.  trans-63.699.6165.6-62.6-179.367.11780108.2M78 K119 S123M78-K121 WeakPolarHBondContact O-CB 3.48Å; M78-K121 PolarHBondContact O-N 3.11Å; K119-K121 PolarHBondContact O-N 3.48Å; K121-S123 PolarHBondContact O-N 3.05Å
122V77.7Confident72Confident113 Ų11397.2 Ų97.269%0.68549%0.49SS*.  trans-66.7124.5165.9-175.60000106.6R120 I124R120-V122 PolarHBondContact O-N 2.85Å; V122-I124 PolarHBondContact O-N 3.37Å
123S58.2Low70.4Confident97 Ų97100.1 Ų100.168%0.67850%0.497SS*.  trans-6989.6166.453.20000107.7K121 V125K121-S123 PolarHBondContact O-N 3.05Å; S123-V125 PolarHBondContact O-N 3.27Å
124I53.9Low69.1Low132 Ų132101.2 Ų101.268%0.67750%0.503SS*.  trans-59.4112.7167.7-61.1177000105.7V122 K126V122-I124 PolarHBondContact O-N 3.37Å; I124-K126 PolarHBondContact O-N 3.4Å
125V51.9Low68Low131 Ų131104.5 Ų104.579%0.79452%0.518SS*.  trans-61124.5172.9-174.70000106.5S123 S127S123-V125 PolarHBondContact O-N 3.27Å; V125-S127 PolarHBondContact O-N 3.15Å
126K51.5Low67.3Low163 Ų163108.3 Ų108.371%0.70954%0.538SS*.SBendtrans-40.998.5-170-65.6175175.8179.20112.8I124I124-K126 PolarHBondContact O-N 3.4Å
127S48.9Very low66.8Low77 Ų77108.7 Ų108.754%0.53854%0.542SS..SBendtrans-132-50177-171.10000110.8V125V125-S127 PolarHBondContact O-N 3.15Å
128E43.7Very low66.6Low117 Ų117108 Ų10855%0.54755%0.548SS..Hα-helixtrans-78.4-29176.8-133.761.6-130.600113.3T130 K131E128-T130 PolarHBondContact O-N 3.31Å; E128-T130 VanDerWaalsContact O-N 3.09Å; E128-K131 PolarHBondContact O-N 3.31Å; E128-K131 IonicContact OE1-NZ 3.82Å; E128-K131 PolarHBondContact OE1-NZ 2.88Å
129E43.7Very low66.3Low98 Ų98113.2 Ų113.246%0.45857%0.571SS.*Hα-helixtrans-68.5-5.8177.2-136.4-162.3138.900113.6R133E129-R133 VanDerWaalsContact CG-NH1 3.31Å; E129-R133 WeakPolarHBondContact O-CG 3.3Å; E129-R133 PolarHBondContact O-NH1 3.35Å; E129-R133 IonicContact OE1-CZ 3.93Å; E129-R133 VanDerWaalsContact OE1-CZ 3.23Å; E129-R133 IonicContact OE1-NH1 2.71Å; E129-R133 PolarHBondContact OE1-NH1 3.18Å; E129-R133 IonicContact OE1-NH2 2.82Å; E129-R133 PolarHBondContact OE1-NH2 2.85Å; E129-R133 IonicContact OE2-NH1 3.97Å
130T49.8Very low66.2Low78 Ų78111.3 Ų111.348%0.47957%0.566SS.*Hα-helixtrans-92.4-34.1-178.2-43.70000112E128 Q134E128-T130 PolarHBondContact O-N 3.31Å; E128-T130 VanDerWaalsContact O-N 3.09Å; T130-Q134 PolarHBondContact O-N 3Å; T130-Q134 VanDerWaalsContact O-N 3.11Å
131K48.6Very low66.2Low116 Ų116110.7 Ų110.750%0.50457%0.571SS.*Hα-helixtrans-71.8-49.4179.3-69.2178.9-173.9159.20112E128 R133 Q134 E135E128-K131 PolarHBondContact O-N 3.31Å; E128-K131 IonicContact OE1-NZ 3.82Å; E128-K131 PolarHBondContact OE1-NZ 2.88Å; K131-R133 PolarHBondContact O-N 3.22Å; K131-Q134 PolarHBondContact O-N 3.38Å; K131-E135 PolarHBondContact O-N 3.47Å
132V53.4Low66.4Low87 Ų87111.7 Ų111.753%0.52757%0.573SS.*Hα-helixtrans-55.3-39.4174.6-178.90000110.7D136V132-D136 PolarHBondContact O-N 3.15Å
133R59.8Low67.1Low146 Ų146111.7 Ų111.755%0.55157%0.565SS**Hα-helixtrans-67.3-34.6174.6-86.6-164.5-177.677.42.8114.8E129 K131 L137E129-R133 VanDerWaalsContact CG-NH1 3.31Å; E129-R133 WeakPolarHBondContact O-CG 3.3Å; E129-R133 PolarHBondContact O-NH1 3.35Å; E129-R133 IonicContact OE1-CZ 3.93Å; E129-R133 VanDerWaalsContact OE1-CZ 3.23Å; E129-R133 IonicContact OE1-NH1 2.71Å; E129-R133 PolarHBondContact OE1-NH1 3.18Å; E129-R133 IonicContact OE1-NH2 2.82Å; E129-R133 PolarHBondContact OE1-NH2 2.85Å; E129-R133 IonicContact OE2-NH1 3.97Å; K131-R133 PolarHBondContact O-N 3.22Å; R133-L137 WeakPolarHBondContact O-CB 3.12Å; R133-L137 PolarHBondContact O-N 3.26Å
134Q64.7Low68.9Low142 Ų142110.4 Ų110.466%0.66455%0.553SS**Hα-helixtrans-70-39.8-178.2-174.5173.4-2.500111.4T130 K131 S138T130-Q134 PolarHBondContact O-N 3Å; T130-Q134 VanDerWaalsContact O-N 3.11Å; K131-Q134 PolarHBondContact O-N 3.38Å; Q134-S138 WeakPolarHBondContact O-CB 3.19Å; Q134-S138 PolarHBondContact O-N 3.41Å
135E70Confident70.8Confident115 Ų115109.9 Ų109.954%0.53755%0.548SS..Hα-helixtrans-67.2-43.7177.3-69.8154.8-156.700111.4K131 S138 K139K131-E135 PolarHBondContact O-N 3.47Å; E135-S138 PolarHBondContact O-N 3.32Å; E135-K139 WeakPolarHBondContact O-CG 3.38Å; E135-K139 PolarHBondContact O-N 2.88Å; E135-K139 VanDerWaalsContact O-N 3.08Å
136D80.2Confident72.9Confident81 Ų81108.4 Ų108.443%0.43354%0.535SS..Hα-helixtrans-72.6-34.7177.7-68.1-22.6000112.8V132 K139 L140V132-D136 PolarHBondContact O-N 3.15Å; D136-K139 PolarHBondContact O-N 3.39Å; D136-K139 IonicContact OD1-NZ 2.68Å; D136-K139 PolarHBondContact OD1-NZ 3.27Å; D136-L140 WeakPolarHBondContact O-CB 3.36Å; D136-L140 PolarHBondContact O-N 3.46Å
137L85.3Confident75Confident99 Ų99105.4 Ų105.452%0.51853%0.526SS..Hα-helixtrans-64.2-40.1170.7-179.862.5000111.4R133 K139 L140 L141R133-L137 WeakPolarHBondContact O-CB 3.12Å; R133-L137 PolarHBondContact O-N 3.26Å; L137-K139 VanDerWaalsContact C-N 3.34Å; L137-K139 PolarHBondContact O-N 2.86Å; L137-L140 PolarHBondContact O-N 3.1Å; L137-L141 HydrophobicContact CD1-CD1 4.39Å; L137-L141 HydrophobicContact CD1-CG 4.3Å; L137-L141 HydrophobicContact CG-CD1 4.11Å; L137-L141 HydrophobicContact CG-CG 4.47Å; L137-L141 WeakPolarHBondContact O-CB 3.23Å; L137-L141 VanDerWaalsContact O-CG 3.28Å; L137-L141 WeakPolarHBondContact O-CG 3.32Å; L137-L141 PolarHBondContact O-N 3.21Å
138S87.8Confident77.1Confident78 Ų78108.3 Ų108.355%0.54553%0.525SS..Hα-helixtrans-65.7-35.8176.8-168.90000112.4Q134 E135 Y142Q134-S138 WeakPolarHBondContact O-CB 3.19Å; Q134-S138 PolarHBondContact O-N 3.41Å; E135-S138 PolarHBondContact O-N 3.32Å; S138-Y142 WeakPolarHBondContact O-CB 3.4Å; S138-Y142 PolarHBondContact O-N 2.94Å; S138-Y142 VanDerWaalsContact O-N 3.15Å
139K89Confident79.6Confident111 Ų111106.4 Ų106.448%0.48352%0.522SS..Hα-helixtrans-66-47.3171.9-66.8165.7-155.3159.10110.9E135 D136 L137 L141 Y142 E143E135-K139 WeakPolarHBondContact O-CG 3.38Å; E135-K139 PolarHBondContact O-N 2.88Å; E135-K139 VanDerWaalsContact O-N 3.08Å; D136-K139 PolarHBondContact O-N 3.39Å; D136-K139 IonicContact OD1-NZ 2.68Å; D136-K139 PolarHBondContact OD1-NZ 3.27Å; L137-K139 VanDerWaalsContact C-N 3.34Å; L137-K139 PolarHBondContact O-N 2.86Å; K139-L141 VanDerWaalsContact C-N 3.34Å; K139-L141 PolarHBondContact O-N 2.94Å; K139-Y142 CarbonylContact O-C 3.51Å; K139-Y142 WeakPolarHBondContact O-CB 3.48Å; K139-Y142 PolarHBondContact O-N 3.49Å; K139-Y142 VanDerWaalsContact O-N 3.09Å; K139-E143 WeakPolarHBondContact O-CG 3.12Å; K139-E143 PolarHBondContact O-N 2.83Å
140L90.4Very high82Confident94 Ų94107.6 Ų107.649%0.49253%0.527SS..Hα-helixtrans-61-41.4179.5-176.364.2000112.1D136 L137 Y142 E143 V144D136-L140 WeakPolarHBondContact O-CB 3.36Å; D136-L140 PolarHBondContact O-N 3.46Å; L137-L140 PolarHBondContact O-N 3.1Å; L140-Y142 VanDerWaalsContact C-N 3.33Å; L140-Y142 PolarHBondContact O-N 3.38Å; L140-E143 PolarHBondContact O-N 2.68Å; L140-V144 HydrophobicContact CD1-CG2 4.46Å; L140-V144 WeakPolarHBondContact O-CB 3.12Å; L140-V144 VanDerWaalsContact O-CG2 3.27Å; L140-V144 WeakPolarHBondContact O-CG2 3.49Å; L140-V144 PolarHBondContact O-N 3.09Å
141L91.6Very high84.1Confident110 Ų110108.3 Ų108.358%0.57653%0.525SS*.Hα-helixtrans-63.7-38.2174.4-71.6170.7000112L137 K139 Q145L137-L141 HydrophobicContact CD1-CD1 4.39Å; L137-L141 HydrophobicContact CD1-CG 4.3Å; L137-L141 HydrophobicContact CG-CD1 4.11Å; L137-L141 HydrophobicContact CG-CG 4.47Å; L137-L141 WeakPolarHBondContact O-CB 3.23Å; L137-L141 VanDerWaalsContact O-CG 3.28Å; L137-L141 WeakPolarHBondContact O-CG 3.32Å; L137-L141 PolarHBondContact O-N 3.21Å; K139-L141 VanDerWaalsContact C-N 3.34Å; K139-L141 PolarHBondContact O-N 2.94Å; L141-Q145 WeakPolarHBondContact O-CB 3.38Å; L141-Q145 PolarHBondContact O-N 3.32Å
142Y93.4Very high86.3Confident161 Ų161107 Ų10763%0.63152%0.524SS*.Hα-helixtrans-67.4-43.5174.5180-98.9000112.4S138 K139 L140 Q145 L146S138-Y142 WeakPolarHBondContact O-CB 3.4Å; S138-Y142 PolarHBondContact O-N 2.94Å; S138-Y142 VanDerWaalsContact O-N 3.15Å; K139-Y142 CarbonylContact O-C 3.51Å; K139-Y142 WeakPolarHBondContact O-CB 3.48Å; K139-Y142 PolarHBondContact O-N 3.49Å; K139-Y142 VanDerWaalsContact O-N 3.09Å; L140-Y142 VanDerWaalsContact C-N 3.33Å; L140-Y142 PolarHBondContact O-N 3.38Å; Y142-Q145 PolarHBondContact O-N 3.36Å; Y142-L146 WeakPolarHBondContact O-CB 3.26Å; Y142-L146 PolarHBondContact O-N 3.08Å
143E94.1Very high88.4Confident112 Ų112107.3 Ų107.352%0.52352%0.522SS..Hα-helixtrans-63-44.4175.6-74.1176.3-170.800111.7K139 L140 Q145 L146 L147K139-E143 WeakPolarHBondContact O-CG 3.12Å; K139-E143 PolarHBondContact O-N 2.83Å; L140-E143 PolarHBondContact O-N 2.68Å; E143-Q145 VanDerWaalsContact C-N 3.34Å; E143-Q145 PolarHBondContact O-N 2.9Å; E143-L146 PolarHBondContact O-N 3.31Å; E143-L147 WeakPolarHBondContact O-CB 3.47Å; E143-L147 VanDerWaalsContact O-CG 3.28Å; E143-L147 WeakPolarHBondContact O-CG 3.48Å; E143-L147 PolarHBondContact O-N 3.46Å
144V95.1Very high90.1Very high70 Ų70106.3 Ų106.342%0.42453%0.526SS..Hα-helixtrans-61.7-41.8174.6169.40000111.2L140 L147 R148L140-V144 HydrophobicContact CD1-CG2 4.46Å; L140-V144 WeakPolarHBondContact O-CB 3.12Å; L140-V144 VanDerWaalsContact O-CG2 3.27Å; L140-V144 WeakPolarHBondContact O-CG2 3.49Å; L140-V144 PolarHBondContact O-N 3.09Å; V144-L147 PolarHBondContact O-N 3.29Å; V144-R148 WeakPolarHBondContact O-CG 3.44Å; V144-R148 PolarHBondContact O-N 3.15Å
145Q94.1Very high91.6Very high122 Ų122103.9 Ų103.957%0.5751%0.514SS*.Hα-helixtrans-64.1-40.8176.3-173.76146.800112L141 Y142 E143 R148 T149L141-Q145 WeakPolarHBondContact O-CB 3.38Å; L141-Q145 PolarHBondContact O-N 3.32Å; Y142-Q145 PolarHBondContact O-N 3.36Å; E143-Q145 VanDerWaalsContact C-N 3.34Å; E143-Q145 PolarHBondContact O-N 2.9Å; Q145-R148 PolarHBondContact O-N 3.39Å; Q145-T149 PolarHBondContact O-N 3.49Å; Q145-T149 VanDerWaalsContact O-N 3.1Å; Q145-T149 PolarHBondContact O-OG1 3.23Å
146L96.2Very high92.8Very high99 Ų99102.3 Ų102.352%0.51852%0.515SS..Hα-helixtrans-65.4-42.8176-178.762.8000111.7Y142 E143 R148 T149 Q150Y142-L146 WeakPolarHBondContact O-CB 3.26Å; Y142-L146 PolarHBondContact O-N 3.08Å; E143-L146 PolarHBondContact O-N 3.31Å; L146-R148 VanDerWaalsContact C-N 3.33Å; L146-R148 PolarHBondContact O-N 2.99Å; L146-T149 PolarHBondContact O-N 3.4Å; L146-Q150 WeakPolarHBondContact O-CB 3.45Å; L146-Q150 PolarHBondContact O-N 3.06Å
147L94.6Very high93.6Very high101 Ų101104.4 Ų104.453%0.52952%0.522SS..Hα-helixtrans-63.4-36.5175.4-73.4170.6000112E143 V144 Q150 Q151E143-L147 WeakPolarHBondContact O-CB 3.47Å; E143-L147 VanDerWaalsContact O-CG 3.28Å; E143-L147 WeakPolarHBondContact O-CG 3.48Å; E143-L147 PolarHBondContact O-N 3.46Å; V144-L147 PolarHBondContact O-N 3.29Å; L147-Q150 PolarHBondContact O-N 3.38Å; L147-Q151 VanDerWaalsContact O-CB 3.3Å; L147-Q151 WeakPolarHBondContact O-CB 3.37Å; L147-Q151 PolarHBondContact O-N 2.88Å
148R94.6Very high94.2Very high137 Ų137104.8 Ų104.852%0.51752%0.523SS..Hα-helixtrans-61.4-51.5171.4-73.2-66.1-174.8-1420.6111.5V144 Q145 L146 Q150 Q151 D152V144-R148 WeakPolarHBondContact O-CG 3.44Å; V144-R148 PolarHBondContact O-N 3.15Å; Q145-R148 PolarHBondContact O-N 3.39Å; L146-R148 VanDerWaalsContact C-N 3.33Å; L146-R148 PolarHBondContact O-N 2.99Å; R148-Q150 VanDerWaalsContact C-N 3.26Å; R148-Q150 PolarHBondContact O-N 2.95Å; R148-Q151 WeakPolarHBondContact O-CA 3.47Å; R148-Q151 WeakPolarHBondContact O-CB 3.22Å; R148-Q151 PolarHBondContact O-N 3.32Å; R148-D152 PolarHBondContact O-N 3.01Å
149T95.4Very high94.5Very high77 Ų77106.3 Ų106.347%0.47252%0.521SS..Hα-helixtrans-62.4-32.4177.5-57.90000113Q145 L146 N153Q145-T149 PolarHBondContact O-N 3.49Å; Q145-T149 VanDerWaalsContact O-N 3.1Å; Q145-T149 PolarHBondContact O-OG1 3.23Å; L146-T149 PolarHBondContact O-N 3.4Å; T149-N153 WeakPolarHBondContact O-CB 3.47Å; T149-N153 PolarHBondContact O-N 3.22Å; T149-N153 VanDerWaalsContact O-N 3.15Å
150Q94.9Very high94.9Very high124 Ų124105 Ų10558%0.57952%0.519SS*.Hα-helixtrans-68.6-41.8172-172-178.638.100112L146 L147 R148 N153 M154L146-Q150 WeakPolarHBondContact O-CB 3.45Å; L146-Q150 PolarHBondContact O-N 3.06Å; L147-Q150 PolarHBondContact O-N 3.38Å; R148-Q150 VanDerWaalsContact C-N 3.26Å; R148-Q150 PolarHBondContact O-N 2.95Å; Q150-N153 PolarHBondContact O-N 2.9Å; Q150-M154 WeakPolarHBondContact O-CB 3.49Å; Q150-M154 PolarHBondContact O-N 2.92Å
151Q92.9Very high95.2Very high92 Ų92105.8 Ų105.843%0.4352%0.522SS..Hα-helixtrans-60.4-48.5175.6-177177.18.500110.8L147 R148 N153 M154 E155L147-Q151 VanDerWaalsContact O-CB 3.3Å; L147-Q151 WeakPolarHBondContact O-CB 3.37Å; L147-Q151 PolarHBondContact O-N 2.88Å; R148-Q151 WeakPolarHBondContact O-CA 3.47Å; R148-Q151 WeakPolarHBondContact O-CB 3.22Å; R148-Q151 PolarHBondContact O-N 3.32Å; Q151-N153 VanDerWaalsContact C-N 3.31Å; Q151-N153 PolarHBondContact O-N 2.81Å; Q151-M154 PolarHBondContact O-N 3.26Å; Q151-E155 WeakPolarHBondContact O-CB 3.29Å; Q151-E155 PolarHBondContact O-N 3.21Å
152D95.2Very high95.4Very high89 Ų89107.3 Ų107.348%0.47652%0.524SS..Hα-helixtrans-59.3-41.3177.8-56.7-28000111.5R148 E155 C156R148-D152 PolarHBondContact O-N 3.01Å; D152-E155 PolarHBondContact O-N 3Å; D152-C156 PolarHBondContact O-N 2.97Å; D152-C156 PolarHBondContact O-SG 3.21Å
153N96.3Very high95.6Very high93 Ų93106 Ų10650%0.49752%0.524SS..Hα-helixtrans-66.5-44.4177.5-167.5-48.3000111.7T149 Q150 Q151 E155 C156 Q157T149-N153 WeakPolarHBondContact O-CB 3.47Å; T149-N153 PolarHBondContact O-N 3.22Å; T149-N153 VanDerWaalsContact O-N 3.15Å; Q150-N153 PolarHBondContact O-N 2.9Å; Q151-N153 VanDerWaalsContact C-N 3.31Å; Q151-N153 PolarHBondContact O-N 2.81Å; N153-E155 VanDerWaalsContact C-N 3.33Å; N153-E155 PolarHBondContact O-N 3.35Å; N153-C156 WeakPolarHBondContact O-CB 3.38Å; N153-C156 PolarHBondContact O-N 3.09Å; N153-Q157 WeakPolarHBondContact O-CG 3.34Å; N153-Q157 PolarHBondContact O-N 2.98Å; N153-Q157 PolarHBondContact OD1-NE2 3.11Å
154M95.8Very high95.7Very high126 Ų126105.7 Ų105.762%0.62152%0.522SS*.Hα-helixtrans-66.6-35.1177.7-173.2162.46000112.1Q150 Q151 Q157 M158Q150-M154 WeakPolarHBondContact O-CB 3.49Å; Q150-M154 PolarHBondContact O-N 2.92Å; Q151-M154 PolarHBondContact O-N 3.26Å; M154-Q157 PolarHBondContact O-N 3.2Å; M154-M158 WeakPolarHBondContact O-CB 3.45Å; M154-M158 PolarHBondContact O-N 3.45Å
155E95.9Very high95.8Very high91 Ų91106 Ų10643%0.42552%0.521SS..Hα-helixtrans-66.1-43.4172.3179.2155.4-161.100111.8Q151 D152 N153 Q157 M158 Q159Q151-E155 WeakPolarHBondContact O-CB 3.29Å; Q151-E155 PolarHBondContact O-N 3.21Å; D152-E155 PolarHBondContact O-N 3Å; N153-E155 VanDerWaalsContact C-N 3.33Å; N153-E155 PolarHBondContact O-N 3.35Å; E155-Q157 PolarHBondContact O-N 3.12Å; E155-M158 HydrophobicContact CG-CE 4.4Å; E155-M158 PolarHBondContact O-N 3.03Å; E155-Q159 WeakPolarHBondContact O-CG 3.34Å; E155-Q159 PolarHBondContact O-N 3.1Å
156C96.8Very high95.8Very high82 Ų82105.5 Ų105.555%0.55452%0.519SS*.Hα-helixtrans-58.3-44.9172.2-73.60000112.5D152 N153 Q159 D160D152-C156 PolarHBondContact O-N 2.97Å; D152-C156 PolarHBondContact O-SG 3.21Å; N153-C156 WeakPolarHBondContact O-CB 3.38Å; N153-C156 PolarHBondContact O-N 3.09Å; C156-Q159 PolarHBondContact O-N 3.28Å; C156-D160 PolarHBondContact O-N 3.14Å
157Q96.9Very high95.9Very high124 Ų124104.1 Ų104.158%0.57951%0.514SS*.Hα-helixtrans-63.6-39.9175.9-70.6-179.333.700112.2N153 M154 E155 D160 M161N153-Q157 WeakPolarHBondContact O-CG 3.34Å; N153-Q157 PolarHBondContact O-N 2.98Å; N153-Q157 PolarHBondContact OD1-NE2 3.11Å; M154-Q157 PolarHBondContact O-N 3.2Å; E155-Q157 PolarHBondContact O-N 3.12Å; Q157-D160 PolarHBondContact O-N 3.39Å; Q157-M161 WeakPolarHBondContact O-CB 3.25Å; Q157-M161 PolarHBondContact O-N 3.21Å
158M96.4Very high96Very high108 Ų108103.8 Ų103.853%0.53251%0.513SS..Hα-helixtrans-64.2-39.6175.6-176.8-174.467.300111.7M154 E155 K162M154-M158 WeakPolarHBondContact O-CB 3.45Å; M154-M158 PolarHBondContact O-N 3.45Å; E155-M158 HydrophobicContact CG-CE 4.4Å; E155-M158 PolarHBondContact O-N 3.03Å; M158-K162 WeakPolarHBondContact O-CB 3.45Å; M158-K162 PolarHBondContact O-N 3.25Å
159Q95.9Very high96.2Very high110 Ų110104.7 Ų104.751%0.51452%0.516SS..Hα-helixtrans-67-42.7176.7-71.9179.819.800112.2E155 C156 K162 Q163E155-Q159 WeakPolarHBondContact O-CG 3.34Å; E155-Q159 PolarHBondContact O-N 3.1Å; C156-Q159 PolarHBondContact O-N 3.28Å; Q159-K162 WeakPolarHBondContact O-CB 3.49Å; Q159-K162 PolarHBondContact O-N 2.82Å; Q159-Q163 PolarHBondContact O-N 3.09Å
160D96.6Very high96.2Very high82 Ų82109.7 Ų109.744%0.43953%0.526SS..Hα-helixtrans-62.6-49.1174179.138.4000111.3C156 Q157 K162 Q163 Q164C156-D160 PolarHBondContact O-N 3.14Å; Q157-D160 PolarHBondContact O-N 3.39Å; D160-K162 VanDerWaalsContact C-N 3.26Å; D160-K162 PolarHBondContact O-N 2.71Å; D160-Q163 PolarHBondContact O-N 3.41Å; D160-Q164 WeakPolarHBondContact O-CG 3.45Å; D160-Q164 PolarHBondContact O-N 3.11Å; D160-Q164 PolarHBondContact OD1-NE2 3.17Å; D160-Q164 PolarHBondContact OD2-NE2 2.68Å
161M96.6Very high96.3Very high112 Ų112109 Ų10955%0.55252%0.523SS*.Hα-helixtrans-59-35.6175.3-177.4175.46200112.6Q157 N165Q157-M161 WeakPolarHBondContact O-CB 3.25Å; Q157-M161 PolarHBondContact O-N 3.21Å; M161-N165 WeakPolarHBondContact O-CB 3.27Å; M161-N165 PolarHBondContact O-N 3.15Å; M161-N165 PolarHBondContact O-ND2 3.11Å
162K96.3Very high96.6Very high141 Ų141107.6 Ų107.661%0.61352%0.521SS*.Hα-helixtrans-65.6-46.3172.3-178.2-178.4177-178.20111.2M158 Q159 D160 Q164 N165 E166M158-K162 WeakPolarHBondContact O-CB 3.45Å; M158-K162 PolarHBondContact O-N 3.25Å; Q159-K162 WeakPolarHBondContact O-CB 3.49Å; Q159-K162 PolarHBondContact O-N 2.82Å; D160-K162 VanDerWaalsContact C-N 3.26Å; D160-K162 PolarHBondContact O-N 2.71Å; K162-Q164 PolarHBondContact O-N 2.97Å; K162-N165 WeakPolarHBondContact O-CB 3.48Å; K162-N165 PolarHBondContact O-N 3.22Å; K162-E166 WeakPolarHBondContact O-CG 3.49Å; K162-E166 PolarHBondContact O-N 3.05Å
163Q96.8Very high96.6Very high135 Ų135107.3 Ų107.363%0.63152%0.522SS*.Hα-helixtrans-64.3-39.4179.1-178163.183.100112.1Q159 D160 E166 V167Q159-Q163 PolarHBondContact O-N 3.09Å; D160-Q163 PolarHBondContact O-N 3.41Å; Q163-E166 PolarHBondContact O-N 2.9Å; Q163-V167 WeakPolarHBondContact O-CG2 3.44Å; Q163-V167 PolarHBondContact O-N 3.21Å
164Q96.1Very high96.6Very high104 Ų104105.4 Ų105.449%0.48652%0.516SS..Hα-helixtrans-62.2-43.2172.7-68.7175.823.200111.5D160 K162 E166 V167 L168D160-Q164 WeakPolarHBondContact O-CG 3.45Å; D160-Q164 PolarHBondContact O-N 3.11Å; D160-Q164 PolarHBondContact OD1-NE2 3.17Å; D160-Q164 PolarHBondContact OD2-NE2 2.68Å; K162-Q164 PolarHBondContact O-N 2.97Å; Q164-E166 PolarHBondContact O-N 3.22Å; Q164-V167 PolarHBondContact O-N 2.75Å; Q164-L168 WeakPolarHBondContact O-CG 3.48Å; Q164-L168 PolarHBondContact O-N 2.94Å
165N96.8Very high96.7Very high77 Ų77105.1 Ų105.141%0.41252%0.516SS..Hα-helixtrans-60.6-42.9173.6-86.5-60.7000112.6M161 K162 V167 L168 W169M161-N165 WeakPolarHBondContact O-CB 3.27Å; M161-N165 PolarHBondContact O-N 3.15Å; M161-N165 PolarHBondContact O-ND2 3.11Å; K162-N165 WeakPolarHBondContact O-CB 3.48Å; K162-N165 PolarHBondContact O-N 3.22Å; N165-V167 VanDerWaalsContact C-N 3.31Å; N165-V167 PolarHBondContact O-N 3.21Å; N165-L168 PolarHBondContact O-N 3.39Å; N165-W169 WeakPolarHBondContact O-CB 3.49Å; N165-W169 VanDerWaalsContact O-CD1 3.25Å; N165-W169 PolarHBondContact O-N 3.33Å
166E95.8Very high96.7Very high112 Ų112109.2 Ų109.252%0.52353%0.528SS..Hα-helixtrans-60.3-38.8175.5-72.2-67.1146.400112.6K162 Q163 Q164 R170K162-E166 WeakPolarHBondContact O-CG 3.49Å; K162-E166 PolarHBondContact O-N 3.05Å; Q163-E166 PolarHBondContact O-N 2.9Å; Q164-E166 PolarHBondContact O-N 3.22Å; E166-R170 PolarHBondContact O-N 2.55Å; E166-R170 VanDerWaalsContact O-N 3.11Å
167V97.1Very high96.7Very high69 Ų69111.9 Ų111.942%0.41853%0.532SS..Hα-helixtrans-66.7-49174.5173.60000110.7Q163 Q164 N165 W169 R170 E171Q163-V167 WeakPolarHBondContact O-CG2 3.44Å; Q163-V167 PolarHBondContact O-N 3.21Å; Q164-V167 PolarHBondContact O-N 2.75Å; N165-V167 VanDerWaalsContact C-N 3.31Å; N165-V167 PolarHBondContact O-N 3.21Å; V167-W169 VanDerWaalsContact C-N 3.32Å; V167-W169 PolarHBondContact O-N 2.72Å; V167-R170 WeakPolarHBondContact O-CB 3.48Å; V167-R170 PolarHBondContact O-N 2.92Å; V167-R170 VanDerWaalsContact O-N 3.12Å; V167-E171 PolarHBondContact O-N 2.98Å
168L97.8Very high96.7Very high95 Ų95110.1 Ų110.150%0.49753%0.527SS..Hα-helixtrans-59.2-41.4177.5-71.3171.1000111.9Q164 N165 R170 E171 V172Q164-L168 WeakPolarHBondContact O-CG 3.48Å; Q164-L168 PolarHBondContact O-N 2.94Å; N165-L168 PolarHBondContact O-N 3.39Å; L168-R170 PolarHBondContact O-N 3.14Å; L168-E171 PolarHBondContact O-N 2.86Å; L168-V172 WeakPolarHBondContact O-CB 3.17Å; L168-V172 VanDerWaalsContact O-CG2 3.29Å; L168-V172 WeakPolarHBondContact O-CG2 3.18Å; L168-V172 PolarHBondContact O-N 3.42Å
169W97.4Very high96.7Very high155 Ų155110.4 Ų110.459%0.58753%0.527SS*.Hα-helixtrans-60.1-44.9174-92107.1000112.1N165 V167 E171 V172 V173N165-W169 WeakPolarHBondContact O-CB 3.49Å; N165-W169 VanDerWaalsContact O-CD1 3.25Å; N165-W169 PolarHBondContact O-N 3.33Å; V167-W169 VanDerWaalsContact C-N 3.32Å; V167-W169 PolarHBondContact O-N 2.72Å; W169-E171 PolarHBondContact O-N 3.13Å; W169-V172 PolarHBondContact O-N 3.05Å; W169-V173 WeakPolarHBondContact O-CG2 3.22Å; W169-V173 PolarHBondContact O-N 2.73Å
170R97.1Very high96.6Very high182 Ų182108.4 Ų108.469%0.68752%0.522SS*.Hα-helixtrans-61.9-42.4176.1-171.2-176.3-58.5177.53.6112.1E166 V167 L168 S174E166-R170 PolarHBondContact O-N 2.55Å; E166-R170 VanDerWaalsContact O-N 3.11Å; V167-R170 WeakPolarHBondContact O-CB 3.48Å; V167-R170 PolarHBondContact O-N 2.92Å; V167-R170 VanDerWaalsContact O-N 3.12Å; L168-R170 PolarHBondContact O-N 3.14Å; R170-S174 WeakPolarHBondContact O-CB 3.45Å; R170-S174 PolarHBondContact O-N 3.48Å
171E96.9Very high96.6Very high109 Ų109109.6 Ų109.651%0.50953%0.525SS..Hα-helixtrans-64.8-45.3176.3-71.5-175.3177.700111.8V167 L168 W169 V173 S174 L175V167-E171 PolarHBondContact O-N 2.98Å; L168-E171 PolarHBondContact O-N 2.86Å; W169-E171 PolarHBondContact O-N 3.13Å; E171-V173 PolarHBondContact O-N 2.93Å; E171-S174 PolarHBondContact O-N 2.9Å; E171-L175 WeakPolarHBondContact O-CB 3.43Å; E171-L175 VanDerWaalsContact O-CG 3.29Å; E171-L175 WeakPolarHBondContact O-CG 3.35Å; E171-L175 PolarHBondContact O-N 3.12Å
172V97.6Very high96.5Very high63 Ų63110.3 Ų110.338%0.38253%0.527SS..Hα-helixtrans-60.2-43.7176.2168.10000111.7L168 W169 L175 R176L168-V172 WeakPolarHBondContact O-CB 3.17Å; L168-V172 VanDerWaalsContact O-CG2 3.29Å; L168-V172 WeakPolarHBondContact O-CG2 3.18Å; L168-V172 PolarHBondContact O-N 3.42Å; W169-V172 PolarHBondContact O-N 3.05Å; V172-L175 PolarHBondContact O-N 3.33Å; V172-R176 WeakPolarHBondContact O-CB 3.47Å; V172-R176 VanDerWaalsContact O-CG 3.3Å; V172-R176 WeakPolarHBondContact O-CG 3.41Å; V172-R176 PolarHBondContact O-N 3.19Å
173V96.4Very high96.4Very high83 Ų83106.9 Ų106.950%0.50351%0.513SS..Hα-helixtrans-63.3-45.9175.9170.60000110.8W169 E171 L175 R176 Q177W169-V173 WeakPolarHBondContact O-CG2 3.22Å; W169-V173 PolarHBondContact O-N 2.73Å; E171-V173 PolarHBondContact O-N 2.93Å; V173-L175 PolarHBondContact O-N 2.89Å; V173-R176 PolarHBondContact O-N 3.25Å; V173-Q177 WeakPolarHBondContact O-CB 3.48Å; V173-Q177 PolarHBondContact O-N 2.71Å
174S96.6Very high96.3Very high54 Ų54106.1 Ų106.138%0.37851%0.508SS..Hα-helixtrans-60.1-45.5176.5-179.30000112.3R170 E171 Q177 N178R170-S174 WeakPolarHBondContact O-CB 3.45Å; R170-S174 PolarHBondContact O-N 3.48Å; E171-S174 PolarHBondContact O-N 2.9Å; S174-Q177 PolarHBondContact O-N 3.16Å; S174-N178 WeakPolarHBondContact O-CB 3.06Å; S174-N178 PolarHBondContact O-N 2.93Å; S174-N178 PolarHBondContact O-ND2 2.95Å; S174-N178 PolarHBondContact OG-ND2 2.89Å
175L97.1Very high96.3Very high119 Ų119104.6 Ų104.662%0.62351%0.506SS*.Hα-helixtrans-63.5-42.3177.1-72.9170.5000111.6E171 V172 V173 N178 H179E171-L175 WeakPolarHBondContact O-CB 3.43Å; E171-L175 VanDerWaalsContact O-CG 3.29Å; E171-L175 WeakPolarHBondContact O-CG 3.35Å; E171-L175 PolarHBondContact O-N 3.12Å; V172-L175 PolarHBondContact O-N 3.33Å; V173-L175 PolarHBondContact O-N 2.89Å; L175-N178 PolarHBondContact O-N 2.87Å; L175-H179 WeakPolarHBondContact O-CB 3.44Å; L175-H179 PolarHBondContact O-N 3.41Å
176R96.6Very high96Very high177 Ų177105.2 Ų105.267%0.66851%0.507SS*.Hα-helixtrans-63.7-39.7175-75.5177.8178.6-82.20.8112.5V172 V173 T180V172-R176 WeakPolarHBondContact O-CB 3.47Å; V172-R176 VanDerWaalsContact O-CG 3.3Å; V172-R176 WeakPolarHBondContact O-CG 3.41Å; V172-R176 PolarHBondContact O-N 3.19Å; V173-R176 PolarHBondContact O-N 3.25Å; R176-T180 WeakPolarHBondContact O-CB 3.42Å; R176-T180 PolarHBondContact O-N 2.84Å; R176-T180 PolarHBondContact O-OG1 3.5Å
177Q96.4Very high95.9Very high139 Ų139103.5 Ų103.565%0.6550%0.501SS*.Hα-helixtrans-64.4-46.7175.1-172.8179.47.900111.3V173 S174 T180 Q181V173-Q177 WeakPolarHBondContact O-CB 3.48Å; V173-Q177 PolarHBondContact O-N 2.71Å; S174-Q177 PolarHBondContact O-N 3.16Å; Q177-T180 PolarHBondContact O-N 2.83Å; Q177-Q181 WeakPolarHBondContact O-CB 3.46Å; Q177-Q181 PolarHBondContact O-N 3.42Å
178N96.1Very high95.7Very high86 Ų86107.8 Ų107.846%0.4651%0.514SS..Hα-helixtrans-61.2-47.2176.5-81.2-67000112.1S174 L175 T180 Q181 Q182S174-N178 WeakPolarHBondContact O-CB 3.06Å; S174-N178 PolarHBondContact O-N 2.93Å; S174-N178 PolarHBondContact O-ND2 2.95Å; S174-N178 PolarHBondContact OG-ND2 2.89Å; L175-N178 PolarHBondContact O-N 2.87Å; N178-T180 VanDerWaalsContact C-N 3.33Å; N178-T180 PolarHBondContact O-N 2.9Å; N178-Q181 PolarHBondContact O-N 3.02Å; N178-Q181 VanDerWaalsContact O-N 3.15Å; N178-Q182 WeakPolarHBondContact O-CG 3.22Å; N178-Q182 PolarHBondContact O-N 3.3Å
179H96.1Very high95.5Very high115 Ų115108 Ų10853%0.53252%0.515SS..Hα-helixtrans-58.3-44.8175179.1-90.8000111.6L175 Q181 Q182 Q183L175-H179 WeakPolarHBondContact O-CB 3.44Å; L175-H179 PolarHBondContact O-N 3.41Å; H179-Q181 VanDerWaalsContact C-N 3.31Å; H179-Q181 PolarHBondContact O-N 3.25Å; H179-Q182 PolarHBondContact O-N 3.19Å; H179-Q183 WeakPolarHBondContact O-CB 3.4Å; H179-Q183 PolarHBondContact O-N 3.44Å
180T95.1Very high95.2Very high68 Ų68105.1 Ų105.142%0.41751%0.51SS..Hα-helixtrans-63.2-36.9176.9-57.30000112R176 Q177 N178 K184R176-T180 WeakPolarHBondContact O-CB 3.42Å; R176-T180 PolarHBondContact O-N 2.84Å; R176-T180 PolarHBondContact O-OG1 3.5Å; Q177-T180 PolarHBondContact O-N 2.83Å; N178-T180 VanDerWaalsContact C-N 3.33Å; N178-T180 PolarHBondContact O-N 2.9Å; T180-K184 WeakPolarHBondContact O-CG 3.46Å; T180-K184 PolarHBondContact O-N 2.83Å
181Q95.8Very high94.8Very high106 Ų106103.5 Ų103.550%0.49551%0.511SS..Hα-helixtrans-69.8-41.9175.5-176.162.87.300111.8Q177 N178 H179 Q183 K184 V185Q177-Q181 WeakPolarHBondContact O-CB 3.46Å; Q177-Q181 PolarHBondContact O-N 3.42Å; N178-Q181 PolarHBondContact O-N 3.02Å; N178-Q181 VanDerWaalsContact O-N 3.15Å; H179-Q181 VanDerWaalsContact C-N 3.31Å; H179-Q181 PolarHBondContact O-N 3.25Å; Q181-Q183 VanDerWaalsContact C-N 3.34Å; Q181-Q183 PolarHBondContact O-N 3.46Å; Q181-K184 WeakPolarHBondContact O-CB 3.2Å; Q181-K184 PolarHBondContact O-N 2.99Å; Q181-V185 WeakPolarHBondContact O-CG2 3.21Å; Q181-V185 PolarHBondContact O-N 3.12Å
182Q95.3Very high94.6Very high127 Ų127104.1 Ų104.159%0.59351%0.512SS*.Hα-helixtrans-59.6-43.9172.5-72.3173-9.500111.1N178 H179 K184 V185 M186N178-Q182 WeakPolarHBondContact O-CG 3.22Å; N178-Q182 PolarHBondContact O-N 3.3Å; H179-Q182 PolarHBondContact O-N 3.19Å; Q182-K184 PolarHBondContact O-N 3.46Å; Q182-V185 PolarHBondContact O-N 3.44Å; Q182-M186 WeakPolarHBondContact O-CB 3.39Å; Q182-M186 PolarHBondContact O-N 3.21Å
183Q94.1Very high94.3Very high70 Ų70106.2 Ų106.233%0.32752%0.521SS..Hα-helixtrans-60.4-41.5174.5-170.36739.100112.1H179 Q181 M186 N187H179-Q183 WeakPolarHBondContact O-CB 3.4Å; H179-Q183 PolarHBondContact O-N 3.44Å; Q181-Q183 VanDerWaalsContact C-N 3.34Å; Q181-Q183 PolarHBondContact O-N 3.46Å; Q183-M186 VanDerWaalsContact NE2-CE 3.28Å; Q183-M186 PolarHBondContact O-N 3.23Å; Q183-M186 VanDerWaalsContact OE1-CE 3.23Å; Q183-N187 PolarHBondContact NE2-OD1 3.34Å; Q183-N187 VanDerWaalsContact NE2-OD1 3.1Å; Q183-N187 WeakPolarHBondContact O-CB 3.37Å; Q183-N187 PolarHBondContact O-N 2.97Å; Q183-N187 PolarHBondContact O-OD1 3.45Å
184K95Very high93.9Very high119 Ų119108.2 Ų108.252%0.51752%0.523SS..Hα-helixtrans-63.1-42.2174.5-74.4169.4-178.7174.30112.2T180 Q181 Q182 K188T180-K184 WeakPolarHBondContact O-CG 3.46Å; T180-K184 PolarHBondContact O-N 2.83Å; Q181-K184 WeakPolarHBondContact O-CB 3.2Å; Q181-K184 PolarHBondContact O-N 2.99Å; Q182-K184 PolarHBondContact O-N 3.46Å; K184-K188 WeakPolarHBondContact O-CG 3.29Å; K184-K188 PolarHBondContact O-N 3.19Å; K184-K188 VanDerWaalsContact O-N 3.08Å
185V95.3Very high93.3Very high72 Ų72108.9 Ų108.944%0.43653%0.527SS..Hα-helixtrans-65.6-46.1176172.30000110.5Q181 Q182 N187 K188 L189Q181-V185 WeakPolarHBondContact O-CG2 3.21Å; Q181-V185 PolarHBondContact O-N 3.12Å; Q182-V185 PolarHBondContact O-N 3.44Å; V185-N187 PolarHBondContact O-N 3.35Å; V185-K188 WeakPolarHBondContact O-CB 3.45Å; V185-K188 PolarHBondContact O-N 3.43Å; V185-L189 HydrophobicContact CG1-CD1 4.02Å; V185-L189 HydrophobicContact CG1-CG 4.41Å; V185-L189 WeakPolarHBondContact O-CG 3.31Å; V185-L189 PolarHBondContact O-N 3.03Å
186M90.6Very high92.5Very high89 Ų89107.9 Ų107.944%0.43852%0.519SS..Hα-helixtrans-60.5-45.7176.9-176.3169.964.600111.8Q182 Q183 K188 L189 I190Q182-M186 WeakPolarHBondContact O-CB 3.39Å; Q182-M186 PolarHBondContact O-N 3.21Å; Q183-M186 VanDerWaalsContact NE2-CE 3.28Å; Q183-M186 PolarHBondContact O-N 3.23Å; Q183-M186 VanDerWaalsContact OE1-CE 3.23Å; M186-K188 VanDerWaalsContact C-N 3.3Å; M186-K188 PolarHBondContact O-N 3.44Å; M186-L189 PolarHBondContact O-N 3.11Å; M186-L189 VanDerWaalsContact O-N 3.14Å; M186-I190 HydrophobicContact CG-CD1 3.9Å; M186-I190 HydrophobicContact CG-CG1 4.45Å; M186-I190 VanDerWaalsContact O-CG1 3.3Å; M186-I190 WeakPolarHBondContact O-CG1 3.48Å; M186-I190 PolarHBondContact O-N 3.04Å
187N93Very high91.2Very high76 Ų76105.7 Ų105.741%0.40652%0.518SS..Hα-helixtrans-59.9-39.4175.3-72.2-6.8000111.8Q183 V185 Q191Q183-N187 PolarHBondContact NE2-OD1 3.34Å; Q183-N187 VanDerWaalsContact NE2-OD1 3.1Å; Q183-N187 WeakPolarHBondContact O-CB 3.37Å; Q183-N187 PolarHBondContact O-N 2.97Å; Q183-N187 PolarHBondContact O-OD1 3.45Å; V185-N187 PolarHBondContact O-N 3.35Å; N187-Q191 WeakPolarHBondContact O-CG 3.49Å; N187-Q191 PolarHBondContact O-N 2.91Å
188K93.3Very high89.7Confident160 Ų160104.5 Ų104.570%0.69651%0.513SS*.Hα-helixtrans-66.4-40.2173.4-76.5-177176.5-172.70112.7K184 V185 M186 Q191 F192K184-K188 WeakPolarHBondContact O-CG 3.29Å; K184-K188 PolarHBondContact O-N 3.19Å; K184-K188 VanDerWaalsContact O-N 3.08Å; V185-K188 WeakPolarHBondContact O-CB 3.45Å; V185-K188 PolarHBondContact O-N 3.43Å; M186-K188 VanDerWaalsContact C-N 3.3Å; M186-K188 PolarHBondContact O-N 3.44Å; K188-Q191 PolarHBondContact O-N 2.94Å; K188-F192 WeakPolarHBondContact O-CB 3.25Å; K188-F192 PolarHBondContact O-N 3.27Å
189L94Very high87.8Confident99 Ų99104.3 Ų104.352%0.51852%0.518SS..Hα-helixtrans-64.2-43.1175.3-71.4169.7000111.3V185 M186 F192 L193V185-L189 HydrophobicContact CG1-CD1 4.02Å; V185-L189 HydrophobicContact CG1-CG 4.41Å; V185-L189 WeakPolarHBondContact O-CG 3.31Å; V185-L189 PolarHBondContact O-N 3.03Å; M186-L189 PolarHBondContact O-N 3.11Å; M186-L189 VanDerWaalsContact O-N 3.14Å; L189-F192 PolarHBondContact O-N 2.95Å; L189-L193 WeakPolarHBondContact O-CB 3.44Å; L189-L193 VanDerWaalsContact O-CG 3.29Å; L189-L193 WeakPolarHBondContact O-CG 3.35Å; L189-L193 PolarHBondContact O-N 2.85Å
190I91.3Very high85.6Confident94 Ų94102.7 Ų102.748%0.48252%0.52SS..Hα-helixtrans-59.8-47.4174.5-68.3164.7000110.4M186 F192 L193 F194M186-I190 HydrophobicContact CG-CD1 3.9Å; M186-I190 HydrophobicContact CG-CG1 4.45Å; M186-I190 VanDerWaalsContact O-CG1 3.3Å; M186-I190 WeakPolarHBondContact O-CG1 3.48Å; M186-I190 PolarHBondContact O-N 3.04Å; I190-F192 PolarHBondContact O-N 3.38Å; I190-L193 PolarHBondContact O-N 3.16Å; I190-F194 VanDerWaalsContact O-CB 3.31Å; I190-F194 WeakPolarHBondContact O-CB 3.5Å; I190-F194 PolarHBondContact O-N 3.44Å
191Q88.4Confident83.3Confident149 Ų149104.6 Ų104.670%0.69653%0.532SS*.Hα-helixtrans-65-37.7176.5-74-164.411.100113.1N187 K188 F194 S195N187-Q191 WeakPolarHBondContact O-CG 3.49Å; N187-Q191 PolarHBondContact O-N 2.91Å; K188-Q191 PolarHBondContact O-N 2.94Å; Q191-F194 PolarHBondContact O-N 3.2Å; Q191-S195 WeakPolarHBondContact O-CB 3.08Å; Q191-S195 PolarHBondContact O-N 3.37Å
192F92.4Very high81Confident121 Ų121104.9 Ų104.953%0.53154%0.542SS..Hα-helixtrans-63.6-47175177.2-101000111.7K188 L189 I190 F194 S195 Q196K188-F192 WeakPolarHBondContact O-CB 3.25Å; K188-F192 PolarHBondContact O-N 3.27Å; L189-F192 PolarHBondContact O-N 2.95Å; I190-F192 PolarHBondContact O-N 3.38Å; F192-F194 VanDerWaalsContact C-N 3.35Å; F192-F194 PolarHBondContact O-N 3.42Å; F192-S195 WeakPolarHBondContact O-CB 3.43Å; F192-S195 PolarHBondContact O-N 2.94Å; F192-Q196 HydrophobicContact CD1-CG 4.28Å; F192-Q196 HydrophobicContact CD2-CG 4.35Å; F192-Q196 HydrophobicContact CE1-CG 3.86Å; F192-Q196 HydrophobicContact CE2-CG 3.94Å; F192-Q196 HydrophobicContact CZ-CG 3.68Å; F192-Q196 WeakPolarHBondContact O-CB 3.37Å; F192-Q196 VanDerWaalsContact O-CG 3.31Å; F192-Q196 WeakPolarHBondContact O-CG 3.43Å; F192-Q196 PolarHBondContact O-N 3.15Å
193L91.3Very high78.8Confident108 Ų108104.2 Ų104.257%0.56555%0.552SS**Hα-helixtrans-60.3-44.3175-70.5169.4000111.3L189 I190 S195 Q196 M197L189-L193 WeakPolarHBondContact O-CB 3.44Å; L189-L193 VanDerWaalsContact O-CG 3.29Å; L189-L193 WeakPolarHBondContact O-CG 3.35Å; L189-L193 PolarHBondContact O-N 2.85Å; I190-L193 PolarHBondContact O-N 3.16Å; L193-S195 VanDerWaalsContact C-N 3.32Å; L193-S195 PolarHBondContact O-N 3.39Å; L193-Q196 PolarHBondContact O-N 3.35Å; L193-M197 WeakPolarHBondContact O-CG 3.35Å; L193-M197 PolarHBondContact O-N 2.9Å
194F87.6Confident76.4Confident125 Ų125106 Ų10655%0.54857%0.572SS.*Hα-helixtrans-64.6-34.9177.8-166.2-114.5000112.7I190 Q191 F192 Q198I190-F194 VanDerWaalsContact O-CB 3.31Å; I190-F194 WeakPolarHBondContact O-CB 3.5Å; I190-F194 PolarHBondContact O-N 3.44Å; Q191-F194 PolarHBondContact O-N 3.2Å; F192-F194 VanDerWaalsContact C-N 3.35Å; F192-F194 PolarHBondContact O-N 3.42Å; F194-Q198 WeakPolarHBondContact O-CG 3.49Å; F194-Q198 PolarHBondContact O-N 2.84Å; F194-Q198 PolarHBondContact O-NE2 2.75Å
195S85.3Confident74.1Confident67 Ų67107.2 Ų107.247%0.46959%0.589SS.*Hα-helixtrans-68-45.1172.8-172.30000111.9Q191 F192 L193 M197 Q198 S199Q191-S195 WeakPolarHBondContact O-CB 3.08Å; Q191-S195 PolarHBondContact O-N 3.37Å; F192-S195 WeakPolarHBondContact O-CB 3.43Å; F192-S195 PolarHBondContact O-N 2.94Å; L193-S195 VanDerWaalsContact C-N 3.32Å; L193-S195 PolarHBondContact O-N 3.39Å; S195-M197 PolarHBondContact O-N 2.81Å; S195-Q198 PolarHBondContact O-N 3.42Å; S195-Q198 VanDerWaalsContact O-N 3.15Å; S195-S199 PolarHBondContact O-N 2.99Å; S195-S199 PolarHBondContact O-OG 3.34Å
196Q79.8Confident71.6Confident98 Ų98107 Ų10746%0.45860%0.601SS.*Hα-helixtrans-68.2-30.8179.1-69.4-72.280.300113.4F192 L193 S199 S200F192-Q196 HydrophobicContact CD1-CG 4.28Å; F192-Q196 HydrophobicContact CD2-CG 4.35Å; F192-Q196 HydrophobicContact CE1-CG 3.86Å; F192-Q196 HydrophobicContact CE2-CG 3.94Å; F192-Q196 HydrophobicContact CZ-CG 3.68Å; F192-Q196 WeakPolarHBondContact O-CB 3.37Å; F192-Q196 VanDerWaalsContact O-CG 3.31Å; F192-Q196 WeakPolarHBondContact O-CG 3.43Å; F192-Q196 PolarHBondContact O-N 3.15Å; L193-Q196 PolarHBondContact O-N 3.35Å; Q196-S199 WeakPolarHBondContact CA-OG 3.42Å; Q196-S199 PolarHBondContact O-OG 3.02Å; Q196-S199 PolarHBondContact OE1-OG 3.11Å; Q196-S200 PolarHBondContact O-OG 3.39Å
197M69.2Low69.7Low131 Ų131108.7 Ų108.765%0.64561%0.611SS**Hα-helixtrans-74.3-24.3172.1-68.6-154-5100113.2L193 S195 S200L193-M197 WeakPolarHBondContact O-CG 3.35Å; L193-M197 PolarHBondContact O-N 2.9Å; S195-M197 PolarHBondContact O-N 2.81Å; M197-S200 PolarHBondContact O-OG 2.81Å
198Q63.9Low67.5Low115 Ų115114.9 Ų114.954%0.53764%0.635SS.*Hα-helixtrans-84.6-33.5174.5-76.2171.594.100112.8F194 S195 S200 T201F194-Q198 WeakPolarHBondContact O-CG 3.49Å; F194-Q198 PolarHBondContact O-N 2.84Å; F194-Q198 PolarHBondContact O-NE2 2.75Å; S195-Q198 PolarHBondContact O-N 3.42Å; S195-Q198 VanDerWaalsContact O-N 3.15Å; Q198-S200 PolarHBondContact O-N 3.07Å; Q198-T201 PolarHBondContact O-OG1 2.96Å
199S58Low65.6Low81 Ų81117.6 Ų117.657%0.56664%0.641SS**Hα-helixtrans-72.2-17.5178.664.90000113.6S195 Q196S195-S199 PolarHBondContact O-N 2.99Å; S195-S199 PolarHBondContact O-OG 3.34Å; Q196-S199 WeakPolarHBondContact CA-OG 3.42Å; Q196-S199 PolarHBondContact O-OG 3.02Å; Q196-S199 PolarHBondContact OE1-OG 3.11Å
200S47.9Very low63.3Low82 Ų82122.5 Ų122.557%0.57366%0.658SS**THydrogen-bonded Turntrans-93.67.2-177.347.10000115Q196 M197 Q198 P202Q196-S200 PolarHBondContact O-OG 3.39Å; M197-S200 PolarHBondContact O-OG 2.81Å; Q198-S200 PolarHBondContact O-N 3.07Å; S200-P202 VanDerWaalsContact C-CD 3.45Å; S200-P202 WeakPolarHBondContact O-CD 3.38Å
201T48.8Very low61.3Low108 Ų108125.2 Ų125.266%0.66367%0.672SS**  trans-109.382.7173.656.40000113.6Q198 S203Q198-T201 PolarHBondContact O-OG1 2.96Å; T201-S203 PolarHBondContact O-N 2.77Å
202P46.8Very low59.4Low111 Ų111124 Ų12472%0.72168%0.678SS**  trans-77.2108.8162.831.6-30.6000110.3S200S200-P202 VanDerWaalsContact C-CD 3.45Å; S200-P202 WeakPolarHBondContact O-CD 3.38Å
203S49.2Very low57.4Low114 Ų114126 Ų12680%0.79769%0.693SS**  trans44.2140.6153.8570000122.6T201T201-S203 PolarHBondContact O-N 2.77Å
204S43.5Very low55.4Low108 Ų108129.2 Ų129.276%0.75571%0.707SS**  trans71.1111.8156.2165.40000119.5
205V45.9Very low53.8Low144 Ų144131.7 Ų131.787%0.87373%0.725SS**  -149.7129.6106.1179.40000108.8
206G43Very low51.8Low67 Ų67135.4 Ų135.469%0.69174%0.74SS**  trans172.843.617800000116.5K208G206-K208 PolarHBondContact O-N 3.37Å
207L50.1Low50Low124 Ų124138.4 Ų138.465%0.64976%0.759SS**  trans-62.6122.3-179.2-73.489.1000112.4
208K48.3Very low48.5Very low207 Ų207135.1 Ų135.190%0.976%0.759SS**  trans-131.282.5154.5-75.5-172.6176.8173.80110.7G206G206-K208 PolarHBondContact O-N 3.37Å
209R52.9Low47.4Very low216 Ų216135.6 Ų135.682%0.81578%0.775SS**  trans-70.4125.1161.9-67.9-175.3-179.6102.81.3108.8
210K46.6Very low47.2Very low203 Ų203137.1 Ų137.188%0.88378%0.783SS**  trans-140.8104.5155.7-73.5-160.6175.4-170.10110.1
211L48Very low47Very low150 Ų150138.6 Ų138.679%0.78579%0.793SS**  trans42.5124.7153.3-123.470.1000120.3
212P49.5Very low47.6Very low124 Ų124138.9 Ų138.981%0.80580%0.797SS**  trans-76135.4159.433.3-30.8000109.8
213L48.9Very low48Very low164 Ų164139.8 Ų139.886%0.85980%0.802SS**  trans-109.9110.2168.2-105.1160.2000108.4
214M49.6Very low47.7Very low174 Ų174138.5 Ų138.586%0.85780%0.799SS**  trans-71.7125.2166.1-77.2165.349.700109.3
215L54Low48.3Very low177 Ų177138.8 Ų138.893%0.92780%0.798SS**  -141.1118.2128-76.8-175.5000107.2
216D43Very low48.1Very low146 Ų146140.5 Ų140.578%0.78179%0.794SS**  trans-99.9139.3163.2176.638.8000107.2
217D42.4Very low47.9Very low161 Ų161146.6 Ų146.686%0.86180%0.802SS**  trans179.2141149.8-108.4-39.6000109.7
218G37.6Very low47.2Very low62 Ų62146 Ų14664%0.63981%0.808SS**  trans131.115.914300000122.4
219S41.4Very low46.7Very low124 Ų124144.8 Ų144.887%0.86781%0.805SS**  trans77.9166.415292.20000120.4
220P53.2Low46.1Very low113 Ų113138.3 Ų138.373%0.73479%0.793SS**  trans-121.2168-15943.2-32000115.7
221S43.8Very low45.8Very low113 Ų113137.7 Ų137.779%0.7979%0.793SS**  175150.7121.642.20000113.3
222P63Low45.7Very low115 Ų115135.7 Ų135.775%0.74779%0.789SS**  trans-95.8175.3173.943.4-37.9000110.9
223P54.6Low44.9Very low129 Ų129137.1 Ų137.184%0.83879%0.788SS**  -142.1162.482.935.2-17.7000115.5
224A43.4Very low44Very low88 Ų88137.8 Ų137.873%0.72779%0.787SS**  trans-91.4-161.1170.500000110.7
225P55.9Low43.7Very low113 Ų113134.2 Ų134.273%0.73478%0.777SS**  -122.4-167-70.335.6-20.9000110.6
226K41.8Very low42.7Very low181 Ų181131.8 Ų131.879%0.78777%0.769SS**  trans-176.8120.4133-101.1158.9-172.4179.40114.9
227F38.4Very low42.1Very low195 Ų195131.9 Ų131.986%0.85576%0.764SS**  trans61.5142.2158.7-66.5-80.6000118.9
228S34.3Very low41.5Very low112 Ų112131.5 Ų131.578%0.78376%0.757SS**  cis-152.7154.4945.50000114.5
229H39.1Very low41.1Very low181 Ų181131.8 Ų131.884%0.83875%0.75SS**  trans-62.7169.7168.4-97.3-104.9000114.2
230S38.8Very low40.7Very low80 Ų80135.2 Ų135.256%0.55975%0.745SS**  cis179.4126.4-30.958.40000113
231H40.3Very low39.7Very low190 Ų190139.7 Ų139.788%0.8875%0.749SS**  trans55.8166.8156.6-63.9-58.6000120.7
232P47.3Very low39.2Very low108 Ų108140.1 Ų140.170%0.70174%0.741SS**  cis-140.8170.111.742.7-22.8000120.4
233I32.4Very low37.4Very low154 Ų154143.7 Ų143.779%0.7975%0.747SS**  trans49.4119.5139.6-60.9166.8000123.8
234E29.4Very low36.3Very low178 Ų178142.3 Ų142.383%0.83274%0.741SS**  trans43.1174.8140.3-107.7-170.4126.300123.1
235P44.7Very low36.1Very low99 Ų99143.6 Ų143.664%0.64374%0.742SS**  cis-144.3-172.3-8.539.4-16.8000119.1
236V31.3Very low34.9Very low125 Ų125143 Ų14376%0.75874%0.74SS**  trans88136.6137.6148.40000125.7
237H30.9Very low34.4Very low148 Ų148139.4 Ų139.469%0.68574%0.737SS**  trans52.7126.9163.7-86.5-116.7000120.4
238E29.1Very low33.9Very low153 Ų153137 Ų13772%0.71573%0.733SS**  cis91.8125.545.4-173.6-175.2-107.600113.5
239S29.2Very low33.7Very low69 Ų69137.5 Ų137.548%0.48373%0.732SS.*  trans159.8116.7145.9-78.20000116
240Y33.2Very low33.3Very low196 Ų196133.8 Ų133.877%0.76973%0.733SS**  trans24.7158.8142.450.9-110.9000123.9
241Y33.1Very low32.8Very low207 Ų207135.1 Ų135.181%0.81274%0.742SS**  cis-149.1-171.226.6-125.3-77.2000114
242I32.1Very low32.2Very low121 Ų121132.2 Ų132.262%0.62174%0.741SS**  trans-86.8156.6-157.1-63.7165.3000116.6
243H25.8Very low31.3Very low191 Ų191132.5 Ų132.588%0.88475%0.746SS**  trans-153.1135138.5-108.8-75.9000112.9
244S31.9Very low31.4Very low100 Ų100131.9 Ų131.970%0.69975%0.75SS**  trans-112.9158.1173.5-55.80000111.5
245P38.6Very low31.4Very low115 Ų115131.7 Ų131.775%0.74776%0.755SS**  trans-143.5138.9136.337.1-22.1000116.5
246S31.9Very low30.8Very low101 Ų101130.5 Ų130.571%0.70676%0.76SS**  trans48129.114063.50000124.4
247S30.8Very low30.9Very low104 Ų104132.9 Ų132.973%0.72777%0.768SS**  50.8121.6129.2-46.40000121.5
248D28.8Very low31.3Very low144 Ų144132.7 Ų132.777%0.7778%0.777SS**  -177.415694.4-111.4-26.7000115.6
249T29.2Very low31.4Very low124 Ų124129.7 Ų129.776%0.76179%0.787SS**  trans41.9121.3154.662.20000122.2
250A30.5Very low31.8Very low102 Ų102129.5 Ų129.584%0.84380%0.796SS**  171.9140.8104.200000112.6
251S28.7Very low32.1Very low108 Ų108126.6 Ų126.676%0.75580%0.801SS**  trans-115.1132.1171.6176.20000109.6
252C26.5Very low32.8Very low129 Ų129124.2 Ų124.287%0.87280%0.801SS**  trans-148.3109.4171.8-73.60000109.8
253S29.7Very low33Very low114 Ų114126 Ų12680%0.79781%0.81SS**  trans-95.8135168.5-51.90000110.4
254T33.8Very low33.6Very low142 Ų142121.7 Ų121.787%0.87180%0.801SS**  trans-149.8123.9158.5500000111.1
255D30.6Very low33.7Very low174 Ų174124 Ų12493%0.9381%0.806SS**  trans-64.2154.2164.9-78.6-58.4000112.3
256G31.3Very low33.6Very low74 Ų74125.2 Ų125.276%0.76381%0.811SS**  trans-179.373.4178.700000115.1
257L34.1Very low34Very low175 Ų175126 Ų12692%0.91681%0.812SS**  trans-53127.4-176.6-60.6164.1000115.9
258T38.1Very low34.1Very low144 Ų144127.2 Ų127.288%0.88381%0.81SS**  trans-146.1124.8139.353.70000109.8
259G31.2Very low34.4Very low90 Ų90128.9 Ų128.993%0.92882%0.815SS**  trans-89.7156.7-166.400000116.6
260G39Very low34.5Very low64 Ų64129.5 Ų129.566%0.6682%0.819SS**  trans-157.5141.6164.100000109
261P39.1Very low34.4Very low136 Ų136133.5 Ų133.588%0.88382%0.821SS**  trans-81.4122.4-172.631.3-33000111.5
262I46.8Very low34.4Very low156 Ų156132.5 Ų132.580%0.882%0.818SS**  trans-127.9131.4168.7-61.4-178.3000108.6
263I36.5Very low34.5Very low159 Ų159131.7 Ų131.782%0.81581%0.814SS**  trans-90.3127.6175.1-61.6164.6000107.4
264S38.5Very low34.6Very low100 Ų100135.4 Ų135.470%0.69982%0.821SS**  trans-160.697.9161.656.50000110.6
265D35.1Very low34.4Very low148 Ų148132.6 Ų132.679%0.79181%0.812SS**  trans37.2138.3137.4-53.8-32.6000122.5
266V35.4Very low34.3Very low141 Ų141131.9 Ų131.986%0.85581%0.807SS**  trans-75.5132.1174.6175.30000110.2
267T40.1Very low34.3Very low119 Ų119137.6 Ų137.673%0.7381%0.814SS**  trans-148.2116.2158.7-35.90000111.8
268D32.9Very low34.1Very low129 Ų129137.7 Ų137.769%0.6981%0.812SS**  trans34.6105.3151.5-56.2-43.9000122.4
269M34.8Very low33.6Very low178 Ų178139.9 Ų139.988%0.87781%0.812SS**  28.7100104.1-16480.77300117.3
270T31.4Very low33.4Very low137 Ų137141.1 Ų141.184%0.8481%0.806SS**  trans-129.4106156.626.30000112.6
271Q29.9Very low32.9Very low187 Ų187142.2 Ų142.287%0.87481%0.809SS**  trans0.3119.6138.9-172.9179.852.200117.7
272A28Very low32.5Very low86 Ų86144.4 Ų144.471%0.71181%0.807SS**  172.2119.4120.700000115.3
273S29.1Very low31.7Very low112 Ų112144 Ų14478%0.78381%0.807SS**  54.6104.2125.8-49.80000122.6
274M30.8Very low31.4Very low193 Ų193148.3 Ų148.395%0.95181%0.813SS**  -131.3105.8127.4-66.9-172.8-178.300106.6
275A29.5Very low31Very low82 Ų82150.6 Ų150.668%0.67882%0.816SS**  75.7100.370.100000114.1
276I29.2Very low30.8Very low159 Ų159154.5 Ų154.582%0.81582%0.82SS**  trans68.5107.5147-51.5168.2000117.7
277Q31.8Very low30.7Very low194 Ų194155.2 Ų155.291%0.90781%0.814SS**  -158.3166.8106.3-135.8158.4-8.800112.9
278M28.6Very low30.2Very low178 Ų178157.2 Ų157.288%0.87781%0.813SS**  trans-79.4158.2-157.3-73-167.269.400116.9
279Q28.8Very low29.9Very low190 Ų190156.3 Ų156.389%0.88882%0.816SS**  trans-73.5146.7172.8-59.7161.3-6.400112.5
280S26.8Very low29.7Very low116 Ų116155.9 Ų155.981%0.81181%0.814SS**  trans-153.6119.9147.562.90000112.4
281A28.2Very low29.6Very low86 Ų86158.3 Ų158.371%0.71182%0.819SS**  trans41.7116.1148.200000121.7
282E30.5Very low30Very low182 Ų182156.9 Ų156.985%0.8582%0.816SS**  69.2149.7129.9-60.9-171.8129.400122.2
283N30.4Very low30.2Very low149 Ų149160.9 Ų160.980%0.79782%0.824SS**  trans60.897173.1-78.9-37.4000118.4
284R28.9Very low30.3Very low249 Ų249164.6 Ų164.694%0.9483%0.826SS**  -152.2110.9117.8-111.4159.1-167.5-107.21.6113.6
285L30.6Very low30.7Very low147 Ų147164.2 Ų164.277%0.7782%0.822SS**  trans-66.4156.8161-128.387.9000110.7
286R31.3Very low30.9Very low231 Ų231168.8 Ų168.887%0.87283%0.829SS**  trans78.8148.6158.5-86.3-179.1170-158.4-2.4120.2
287E32.4Very low31.4Very low155 Ų155166.4 Ų166.472%0.72482%0.824SS**  trans73137.8-179.6-59.3-156.8134.900114.3
288K29.4Very low31.7Very low161 Ų161164 Ų16470%0.782%0.822SS**  cis-155.3160.9-0-103152.8-179.7146.10106.4
289S26.7Very low31.9Very low110 Ų110160.6 Ų160.677%0.76982%0.816SS**  cis-156.6173.55.2-98.10000109.6
290M30.6Very low32.4Very low169 Ų169157.7 Ų157.783%0.83381%0.813SS**  trans-80.6142.5162.8-67.4170.574.700111.4
291M31Very low32.6Very low189 Ų189155.8 Ų155.893%0.93181%0.812SS**  trans-139134.8149.7-86.7-163.117100110.5
292L36.5Very low32.7Very low156 Ų156158.7 Ų158.782%0.81782%0.821SS**PPolyproline II helixtrans-70.5137.8174-87.262.5000110
293I33.9Very low32.7Very low171 Ų171162.1 Ų162.188%0.87783%0.826SS**PPolyproline II helixtrans-96.4138.7156-59.4-175.5000108
294K29.8Very low32.7Very low189 Ų189158.6 Ų158.682%0.82283%0.825SS**PPolyproline II helixtrans-99.1119.6-171.1176.9-179.1175.2-173.60109.1
295E39.1Very low32.8Very low186 Ų186150.9 Ų150.987%0.86982%0.823SS**PPolyproline II helixtrans-69.9143171.3-72-118.1121.800111.3
296E33.8Very low32.7Very low177 Ų177147.8 Ų147.883%0.82783%0.827SS**  trans-109.3149.1165.3-103-155.2128.400111
297P40.4Very low32.9Very low109 Ų109147.2 Ų147.271%0.70883%0.831SS**PPolyproline II helixtrans-86.7146.4-165.334-35.9000114.3
298V37.7Very low32.7Very low143 Ų143143.7 Ų143.787%0.86784%0.836SS**PPolyproline II helixtrans-70.713816997.30000110.9
299S32.3Very low32.7Very low107 Ų107140.1 Ų140.175%0.74885%0.845SS**PPolyproline II helixtrans-97.2155.4174.3-78.80000112.2
300P40.3Very low32.8Very low129 Ų129138.5 Ų138.584%0.83885%0.845SS**PPolyproline II helixtrans-100.3145-146.436.2-35.2000115.9
301G29.9Very low32.7Very low77 Ų77135.2 Ų135.279%0.79485%0.845SS**  trans-121.293.4174.300000113.5
302V30.8Very low32.7Very low147 Ų147134.3 Ų134.389%0.89184%0.844SS**  trans31.4118.6157.7-176.20000119.5
303R31.1Very low32.3Very low253 Ų253130.1 Ų130.196%0.95584%0.838SS**  trans-98.1125.9173.1-166.9-175.5-161.9-138.88.1112
304G30Very low32.2Very low76 Ų76125.8 Ų125.878%0.78484%0.836SS**  trans-172.3134.216200000109.3
305G30.8Very low32.2Very low87 Ų87126.2 Ų126.290%0.89784%0.841SS**  cis146.580500000109.5
306G29Very low32.1Very low82 Ų82122.5 Ų122.585%0.84584%0.842SS**  trans-165.6135.5-175.600000112.8
307K34.4Very low32Very low218 Ų218118.5 Ų118.595%0.94884%0.839SS**  trans-84.2156.1-176.5-63.7169.4172.4176.50112.3
308G29.3Very low31.6Very low82 Ų82118.2 Ų118.285%0.84585%0.846SS**  trans166.9128.8157.700000110.3
309G29.5Very low31.4Very low85 Ų85120.6 Ų120.688%0.87685%0.85SS**  trans-116.1175178.600000112
310G27.6Very low31.5Very low76 Ų76119.7 Ų119.778%0.78485%0.849SS**  trans123.9101.4162.400000115.8
311A30Very low31.1Very low100 Ų100119.2 Ų119.283%0.82685%0.849SS**  trans45.6136.2134.400000123.1
312D29.5Very low31.1Very low171 Ų171121.4 Ų121.491%0.91485%0.847SS**  trans81.1158141-15219.7000119.7
313G29.7Very low31Very low67 Ų67118.9 Ų118.969%0.69184%0.835SS**  trans94.799.317100000115
314G30.1Very low31.3Very low80 Ų80116 Ų11683%0.82583%0.832SS**  trans-92.3134.7160.900000110.7
315E31.5Very low31.6Very low199 Ų199118.1 Ų118.193%0.9383%0.83SS**  trans-151.2147.2159.9-127.1-178.9158.300110.6
316A37.1Very low31.6Very low107 Ų107119.4 Ų119.488%0.88482%0.824SS**  trans-82.6120.6-175.700000111
317A31.3Very low32Very low93 Ų93121.6 Ų121.677%0.76983%0.826SS**  trans-110.5115.1171.100000110.1M319A317-M319 PolarHBondContact O-N 3.38Å
318A32.3Very low32.2Very low104 Ų104116.2 Ų116.286%0.8682%0.816SS**  trans-66.1122.4176.600000110.8A320A318-A320 PolarHBondContact O-N 3.04Å
319M31.8Very low32.6Very low192 Ų192120.7 Ų120.795%0.94682%0.815SS**  trans-78.598.1172.8-76.7-168.1167.300110.8A317 S321A317-M319 PolarHBondContact O-N 3.38Å; M319-S321 PolarHBondContact O-N 3.39Å
320A34.2Very low33.2Very low89 Ų89121.6 Ų121.674%0.73681%0.805SS**  trans-72.8101.9160.300000109.1A318 T322A318-A320 PolarHBondContact O-N 3.04Å; A320-T322 VanDerWaalsContact C-N 3.3Å; A320-T322 PolarHBondContact O-N 3.06Å
321S32Very low34Very low118 Ų118123.6 Ų123.683%0.82580%0.804SS**  trans-77.975.6176.7176.60000111.4M319 C323M319-S321 PolarHBondContact O-N 3.39Å; S321-C323 PolarHBondContact O-N 2.86Å
322T31.8Very low34.8Very low123 Ų123123.9 Ų123.976%0.75580%0.796SS**  trans-73.4111.7170.5-47.30000109.6A320 Q324A320-T322 VanDerWaalsContact C-N 3.3Å; A320-T322 PolarHBondContact O-N 3.06Å; T322-Q324 PolarHBondContact O-N 3.46Å
323C28.1Very low35.6Very low95 Ų95122.1 Ų122.164%0.64279%0.786SS**  trans-71.9100.9179.4-169.70000111.2S321 V325S321-C323 PolarHBondContact O-N 2.86Å; C323-V325 VanDerWaalsContact C-N 3.31Å; C323-V325 PolarHBondContact O-N 3.5Å
324Q37.1Very low36.5Very low191 Ų191124 Ų12489%0.89379%0.785SS**THydrogen-bonded Turntrans-91.152.2-178.5-162.8173.9-2.700112.5T322T322-Q324 PolarHBondContact O-N 3.46Å
325V36.8Very low37.2Very low122 Ų122125.3 Ų125.374%0.73978%0.777SS**THydrogen-bonded Turntrans-132.810.2176.3-1660000112.7C323C323-V325 VanDerWaalsContact C-N 3.31Å; C323-V325 PolarHBondContact O-N 3.5Å
326C30.8Very low38.1Very low113 Ų113118 Ų11876%0.76475%0.751SS**  trans-10747.8177.4-60.70000112.6
327S37.4Very low38.7Very low128 Ų128119.9 Ų119.990%0.89574%0.743SS**  trans-148.758.6177-60.80000111.7
328S38.2Very low39.6Very low106 Ų106119.9 Ų119.974%0.74173%0.734SS**  trans-116.4105.4162.955.40000108.8
329E38.6Very low40.1Very low176 Ų176120.7 Ų120.782%0.82272%0.719SS**PPolyproline II helixtrans-59.7134.2171.9-167.4175.3144.800109.6
330P42Very low41Very low103 Ų103115.9 Ų115.967%0.66971%0.705SS**PPolyproline II helixtrans-69.5147.8-17628.4-34.6000111.4V332P330-V332 PolarHBondContact O-N 3.4Å
331P43Very low41.8Very low118 Ų118117.6 Ų117.677%0.76671%0.706SS**PPolyproline II helixtrans-67123.5-177.227.3-34.1000111.3L333P331-L333 PolarHBondContact O-N 2.92Å
332V47.5Very low42.2Very low107 Ų107118.8 Ų118.865%0.64870%0.702SS**PPolyproline II helixtrans-64.2118.4178.5179.40000110.4P330 A336P330-V332 PolarHBondContact O-N 3.4Å; V332-A336 HydrophobicContact CG1-CB 3.61Å
333L45.9Very low42.9Very low134 Ų134119.3 Ų119.370%0.70270%0.696SS**PPolyproline II helixtrans-69.5150.2179.2-70.7172000112P331 V335 A336P331-L333 PolarHBondContact O-N 2.92Å; L333-V335 PolarHBondContact O-N 2.85Å; L333-A336 PolarHBondContact O-N 3.49Å; L333-A336 VanDerWaalsContact O-N 3.14Å
334P48.5Very low43.6Very low105 Ų105118.1 Ų118.168%0.68270%0.7SS**THydrogen-bonded Turntrans-58.2-18.9-169.5-27.435.6000116.5
335V46.2Very low43.7Very low109 Ų109120.6 Ų120.666%0.66170%0.701SS**Hα-helixtrans-67-34.5179.9178.70000112L333 M337 V338L333-V335 PolarHBondContact O-N 2.85Å; V335-M337 VanDerWaalsContact C-N 3.34Å; V335-M337 PolarHBondContact O-N 2.96Å; V335-V338 WeakPolarHBondContact O-CB 3.47Å; V335-V338 PolarHBondContact O-N 3.26Å; V335-V338 VanDerWaalsContact O-N 3.14Å
336A50Low43.5Very low46 Ų46118.6 Ų118.638%0.3871%0.706SS.*Hα-helixtrans-65.8-34.4-176.900000113V332 L333 V338 Q339 S340V332-A336 HydrophobicContact CG1-CB 3.61Å; L333-A336 PolarHBondContact O-N 3.49Å; L333-A336 VanDerWaalsContact O-N 3.14Å; A336-V338 VanDerWaalsContact C-N 3.26Å; A336-V338 PolarHBondContact O-N 2.79Å; A336-Q339 WeakPolarHBondContact O-CB 3.48Å; A336-Q339 PolarHBondContact O-N 3.22Å; A336-S340 PolarHBondContact O-N 2.87Å; A336-S340 PolarHBondContact O-OG 3.35Å
337M50.1Low43.6Very low146 Ų146118.7 Ų118.772%0.71971%0.707SS**Hα-helixtrans-64.3-30.1175.2-85.8-146.6-99.900113V335 Q339 S340 V341V335-M337 VanDerWaalsContact C-N 3.34Å; V335-M337 PolarHBondContact O-N 2.96Å; M337-Q339 VanDerWaalsContact C-N 3.31Å; M337-Q339 PolarHBondContact O-N 2.91Å; M337-S340 PolarHBondContact O-N 2.93Å; M337-V341 WeakPolarHBondContact O-CG2 3.15Å; M337-V341 PolarHBondContact O-N 3.17Å
338V49.7Very low43.2Very low93 Ų93118.9 Ų118.956%0.56470%0.703SS**Hα-helixtrans-68.9-34.3179.1-173.10000110.8V335 A336 L342V335-V338 WeakPolarHBondContact O-CB 3.47Å; V335-V338 PolarHBondContact O-N 3.26Å; V335-V338 VanDerWaalsContact O-N 3.14Å; A336-V338 VanDerWaalsContact C-N 3.26Å; A336-V338 PolarHBondContact O-N 2.79Å; V338-L342 WeakPolarHBondContact O-CG 3.46Å
339Q42.8Very low42.7Very low120 Ų120118 Ų11856%0.56170%0.702SS**Hα-helixtrans-66.5-47.4174.7-152.4101.821.700111.1A336 M337 V341 L342 E343A336-Q339 WeakPolarHBondContact O-CB 3.48Å; A336-Q339 PolarHBondContact O-N 3.22Å; M337-Q339 VanDerWaalsContact C-N 3.31Å; M337-Q339 PolarHBondContact O-N 2.91Å; Q339-V341 VanDerWaalsContact C-N 3.31Å; Q339-V341 PolarHBondContact O-N 3.27Å; Q339-L342 PolarHBondContact O-N 3.02Å; Q339-L342 VanDerWaalsContact O-N 3.12Å; Q339-E343 PolarHBondContact O-N 2.93Å
340S49.9Very low42.2Very low91 Ų91114.2 Ų114.264%0.63670%0.695SS**Hα-helixtrans-66.5-26.3-177.4-54.20000114.5A336 M337A336-S340 PolarHBondContact O-N 2.87Å; A336-S340 PolarHBondContact O-OG 3.35Å; M337-S340 PolarHBondContact O-N 2.93Å
341V50.8Low41.5Very low125 Ų125117.2 Ų117.276%0.75870%0.702SS**Hα-helixtrans-75.5-27175172.60000112.1M337 Q339M337-V341 WeakPolarHBondContact O-CG2 3.15Å; M337-V341 PolarHBondContact O-N 3.17Å; Q339-V341 VanDerWaalsContact C-N 3.31Å; Q339-V341 PolarHBondContact O-N 3.27Å
342L40.3Very low40.9Very low144 Ų144118 Ų11875%0.75470%0.704SS**Hα-helixtrans-82.4-21.2179.5-68.5170.5000113.6V338 Q339V338-L342 WeakPolarHBondContact O-CG 3.46Å; Q339-L342 PolarHBondContact O-N 3.02Å; Q339-L342 VanDerWaalsContact O-N 3.12Å
343E46.8Very low39.9Very low134 Ų134122 Ų12263%0.62672%0.716SS**SBendtrans-97.32.2-172.7-69.4-177.7-179.600115.4Q339 R345Q339-E343 PolarHBondContact O-N 2.93Å; E343-R345 PolarHBondContact O-N 2.95Å; E343-R345 VanDerWaalsContact O-N 3.13Å
344G42.5Very low39.2Very low70 Ų70126.9 Ų126.972%0.72273%0.725SS**  trans51.147.1149.400000118
345R39.5Very low38.2Very low242 Ų242133.4 Ų133.491%0.91374%0.736SS**  trans-120.5122.6169-75-174.4172.4-108.3-1.8111.7E343E343-R345 PolarHBondContact O-N 2.95Å; E343-R345 VanDerWaalsContact O-N 3.13Å
346G32.3Very low37.3Very low81 Ų81135.4 Ų135.484%0.83574%0.743SS**  trans-74.7150.8-168.400000115.2
347S33Very low36.2Very low114 Ų114145.1 Ų145.180%0.79777%0.77SS**  trans-60156.9168.6-178.20000113.2
348V29.8Very low35.2Very low133 Ų133149.5 Ų149.581%0.80678%0.778SS**  179.7128.5115.3151.80000111.8
349A27.8Very low34.5Very low88 Ų88150.8 Ų150.873%0.72779%0.788SS**  trans20.1143.3152.800000120.9
350S27.3Very low33.7Very low96 Ų96149.5 Ų149.567%0.67180%0.799SS**  174.5159.357.2-167.70000111.7
351M27.3Very low32.7Very low165 Ų165153 Ų15381%0.81381%0.809SS**  trans36117.9153.5-70.1176.9-178.400119.9
352V30.8Very low31.5Very low134 Ų134153.8 Ų153.881%0.81281%0.809SS**  55.5100.580.4-179.80000113.3
353E26.9Very low30.8Very low191 Ų191158.8 Ų158.889%0.89382%0.818SS**  -151.4148129.8-130.2178.7161.500114
354R30.1Very low29.9Very low237 Ų237162.4 Ų162.489%0.89483%0.826SS**  trans-76.9160.1172.6-66.6167.2158.7130.9-9.1109.4
355R28.3Very low29.3Very low242 Ų242163.4 Ų163.491%0.91383%0.828SS**  163.9137101.3-170.5168.4-165.6132.70.4114.5
356N26.9Very low28.6Very low151 Ų151159.6 Ų159.681%0.80782%0.82SS**  trans-34.3145.4165.3-76.6-15.6000116.8
357R28.1Very low28.6Very low250 Ų250161.9 Ų161.994%0.94382%0.818SS**  -163.1122.3117.5-104.6168.4-167.3-125.34.8113.3
358R27.8Very low28.6Very low239 Ų239162 Ų16290%0.90282%0.816SS**  trans-84.9173.5148.5-72.4-175.9-179.8175.6-0.2107.6
359P35.9Very low28.7Very low119 Ų119164.6 Ų164.677%0.77382%0.819SS**  cis-144.2173.318.243.4-23.8000119
360A25.1Very low29Very low94 Ų94165.6 Ų165.678%0.77782%0.821SS**  trans45.2129.3141.600000122.8
361L29.1Very low29.3Very low163 Ų163167.2 Ų167.285%0.85383%0.827SS**  -161.5159.8113.5-108171.2000112.5
362D25Very low29.6Very low143 Ų143166.7 Ų166.777%0.76582%0.822SS**  trans-55.8144.7-176.5-73-79.8000116.3
363R26.8Very low29.8Very low248 Ų248168.7 Ų168.794%0.93683%0.828SS**  -152128120.7-129.9175.8-172174.91.8114.4
364R28.6Very low30.4Very low210 Ų210163.8 Ų163.879%0.79281%0.811SS**  trans-78.2131.8176.6-173.3-177.5-168-104.19.3110.6E366R364-E366 IonicContact NH1-OE1 3.86Å
365A28.4Very low30.9Very low92 Ų92160.3 Ų160.376%0.7681%0.81SS**  trans-15392.2162.700000105.9
366E26.1Very low31.9Very low161 Ų161152.6 Ų152.675%0.75279%0.786SS**  68.393.891.6-68.6-170.4178.100112.3R364R364-E366 IonicContact NH1-OE1 3.86Å
367V30.9Very low33.5Very low130 Ų130147.5 Ų147.579%0.78876%0.762SS**  trans-86.9133.2169.3176.60000107.8E369V367-E369 PolarHBondContact O-N 3.25Å
368P33.1Very low34.4Very low117 Ų117141.7 Ų141.776%0.7675%0.749SS**  trans-80.3108.7169.430.8-30.4000110.5
369E32.2Very low35.7Very low186 Ų186136.3 Ų136.387%0.86973%0.734SS**  trans-72.4128.2157.8-65.4-178.9131.700109.1V367V367-E369 PolarHBondContact O-N 3.25Å
370S34.7Very low36.4Very low110 Ų110134.9 Ų134.977%0.76972%0.717SS**  trans176.752.5152.736.60000115.8
371V32.3Very low37.8Very low130 Ų130134.7 Ų134.779%0.78870%0.703SS**  trans-170.6141.5155.1-960000107.1
372E33.8Very low38.9Very low154 Ų154132.9 Ų132.972%0.7269%0.69SS**  cis-136.2140.41.1-87.5119.9-164.900110.7V374E372-V374 HydrophobicContact CB-CG2 4.16Å; E372-V374 HydrophobicContact CG-CG2 3.88Å
373N35.8Very low40.5Very low175 Ų175132.6 Ų132.694%0.93668%0.684SS**  trans-113.386.7142.8-105.5-45.9000105.5
374V38.6Very low42Very low88 Ų88126.1 Ų126.153%0.53367%0.667SS.*  trans-123.1108.7171-174.10000106.7E372 M376E372-V374 HydrophobicContact CB-CG2 4.16Å; E372-V374 HydrophobicContact CG-CG2 3.88Å; V374-M376 HydrophobicContact CB-CG 4.31Å; V374-M376 HydrophobicContact CG1-CG 3.78Å; V374-M376 HydrophobicContact CG1-SD 3.85Å; V374-M376 PolarHBondContact O-N 2.94Å
375D40.7Very low43.3Very low165 Ų165121.6 Ų121.688%0.88266%0.658SS**  trans-73.478.5170.4-160.15000107.2S377D375-S377 PolarHBondContact O-N 3.27Å
376M49.3Very low44.7Very low79 Ų79123.6 Ų123.639%0.38966%0.655SS.*  trans-65.4114.8-176-80.2-74.6-70.200109.8V374 E380V374-M376 HydrophobicContact CB-CG 4.31Å; V374-M376 HydrophobicContact CG1-CG 3.78Å; V374-M376 HydrophobicContact CG1-SD 3.85Å; V374-M376 PolarHBondContact O-N 2.94Å; M376-E380 HydrophobicContact CE-CB 3.55Å; M376-E380 HydrophobicContact SD-CB 3.94Å
377S60.7Low45.7Very low45 Ų45124.6 Ų124.632%0.31565%0.652SS.*  trans-64156.4172.763.20000111.4D375 E379 E380 L381D375-S377 PolarHBondContact O-N 3.27Å; S377-E379 PolarHBondContact O-N 2.94Å; S377-E380 WeakPolarHBondContact CB-OE2 3.33Å; S377-E380 PolarHBondContact N-OE2 3.46Å; S377-E380 PolarHBondContact O-N 3.24Å; S377-E380 VanDerWaalsContact OG-CD 3.22Å; S377-E380 VanDerWaalsContact OG-CG 3.25Å; S377-E380 WeakPolarHBondContact OG-CG 3.44Å; S377-E380 PolarHBondContact OG-N 2.9Å; S377-E380 PolarHBondContact OG-OE2 3.08Å; S377-L381 PolarHBondContact O-N 2.94Å; S377-L381 VanDerWaalsContact O-N 3.13Å
378L47.9Very low46.2Very low128 Ų128122 Ų12267%0.6764%0.639SS**Hα-helixtrans-59.8-34.1179.1-173.966.1000111.2Q382L378-Q382 WeakPolarHBondContact O-CG 3.45Å; L378-Q382 PolarHBondContact O-N 2.89Å; L378-Q382 VanDerWaalsContact O-N 3.11Å
379E55.1Low46.8Very low125 Ų125123 Ų12358%0.58463%0.634SS**Hα-helixtrans-64.6-38.2173.6-68.186.5172.400113.2S377 Q382 Q383S377-E379 PolarHBondContact O-N 2.94Å; E379-Q382 PolarHBondContact O-N 2.94Å; E379-Q383 WeakPolarHBondContact O-CG 3.44Å; E379-Q383 PolarHBondContact O-N 3.01Å
380E49.8Very low47.4Very low89 Ų89121.3 Ų121.342%0.41663%0.626SS.*Hα-helixtrans-71.9-37.1178.4-72.5163.2133.700111.8M376 S377 Q382 Q383 L384M376-E380 HydrophobicContact CE-CB 3.55Å; M376-E380 HydrophobicContact SD-CB 3.94Å; S377-E380 WeakPolarHBondContact CB-OE2 3.33Å; S377-E380 PolarHBondContact N-OE2 3.46Å; S377-E380 PolarHBondContact O-N 3.24Å; S377-E380 VanDerWaalsContact OG-CD 3.22Å; S377-E380 VanDerWaalsContact OG-CG 3.25Å; S377-E380 WeakPolarHBondContact OG-CG 3.44Å; S377-E380 PolarHBondContact OG-N 2.9Å; S377-E380 PolarHBondContact OG-OE2 3.08Å; E380-Q382 VanDerWaalsContact C-N 3.33Å; E380-Q383 PolarHBondContact O-N 3.37Å; E380-L384 PolarHBondContact O-N 3.49Å
381L54.1Low47.6Very low91 Ų91123.7 Ų123.748%0.47663%0.625SS.*Hα-helixtrans-64.5-39.5173.2-162.478.3000111.4S377 L384 L385S377-L381 PolarHBondContact O-N 2.94Å; S377-L381 VanDerWaalsContact O-N 3.13Å; L381-L384 PolarHBondContact O-N 3.09Å; L381-L385 WeakPolarHBondContact O-CG 3.44Å; L381-L385 PolarHBondContact O-N 2.88Å
382Q52.2Low47.8Very low124 Ų124121.6 Ų121.658%0.57962%0.616SS**Hα-helixtrans-64.1-41.6172.4-78.4-173.5-32.200112.2L378 E379 E380 L385 L386L378-Q382 WeakPolarHBondContact O-CG 3.45Å; L378-Q382 PolarHBondContact O-N 2.89Å; L378-Q382 VanDerWaalsContact O-N 3.11Å; E379-Q382 PolarHBondContact O-N 2.94Å; E380-Q382 VanDerWaalsContact C-N 3.33Å; Q382-L385 PolarHBondContact O-N 2.63Å; Q382-L386 WeakPolarHBondContact O-CB 3.43Å; Q382-L386 PolarHBondContact O-N 2.86Å
383Q58.9Low48Very low138 Ų138117.3 Ų117.365%0.64561%0.607SS**Hα-helixtrans-65-37.7176-76.5-173.529.300112.8E379 E380 L386 R387E379-Q383 WeakPolarHBondContact O-CG 3.44Å; E379-Q383 PolarHBondContact O-N 3.01Å; E380-Q383 PolarHBondContact O-N 3.37Å; Q383-L386 PolarHBondContact O-N 3.39Å; Q383-R387 WeakPolarHBondContact O-CB 3.27Å; Q383-R387 PolarHBondContact O-N 3.13Å
384L58.9Low48.2Very low111 Ų111117.5 Ų117.558%0.58160%0.604SS**Hα-helixtrans-63.9-43.7177.8-156.980.4000111.5E380 L381 R387 S388E380-L384 PolarHBondContact O-N 3.49Å; L381-L384 PolarHBondContact O-N 3.09Å; L384-R387 PolarHBondContact O-N 3.35Å; L384-S388 PolarHBondContact O-N 3.24Å
385L56.5Low48.3Very low115 Ų115122.6 Ų122.660%0.60262%0.622SS**Hα-helixtrans-65.1-39.7174.8-73.1166.8000112.5L381 Q382 R387 S388 H389L381-L385 WeakPolarHBondContact O-CG 3.44Å; L381-L385 PolarHBondContact O-N 2.88Å; Q382-L385 PolarHBondContact O-N 2.63Å; L385-R387 VanDerWaalsContact C-N 3.33Å; L385-S388 PolarHBondContact O-OG 2.89Å; L385-H389 PolarHBondContact O-N 3.38Å
386L56.8Low48Very low135 Ų135118.9 Ų118.971%0.70762%0.615SS**Hα-helixtrans-67.3-36.2176.8-139.272.2000111.9Q382 Q383 H389 Q390Q382-L386 WeakPolarHBondContact O-CB 3.43Å; Q382-L386 PolarHBondContact O-N 2.86Å; Q383-L386 PolarHBondContact O-N 3.39Å; L386-H389 PolarHBondContact O-N 3.11Å; L386-Q390 PolarHBondContact O-N 3.04Å
387R46.3Very low47.2Very low181 Ų181118.8 Ų118.868%0.68363%0.634SS**Hα-helixtrans-73.7-35-179.1-168.7175.6177.3110.10.4112.6Q383 L384 L385 H389 Q390 Q391Q383-R387 WeakPolarHBondContact O-CB 3.27Å; Q383-R387 PolarHBondContact O-N 3.13Å; L384-R387 PolarHBondContact O-N 3.35Å; L385-R387 VanDerWaalsContact C-N 3.33Å; R387-H389 VanDerWaalsContact C-N 3.32Å; R387-Q390 PolarHBondContact O-N 2.93Å; R387-Q391 PolarHBondContact O-N 3.02Å
388S43.4Very low45.9Very low75 Ų75121.8 Ų121.852%0.52466%0.662SS.*Hα-helixtrans-64-38.3173.470.30000111.8L384 L385 Q390 Q391L384-S388 PolarHBondContact O-N 3.24Å; L385-S388 PolarHBondContact O-OG 2.89Å; S388-Q390 VanDerWaalsContact C-N 3.34Å; S388-Q390 PolarHBondContact O-N 2.75Å; S388-Q391 PolarHBondContact O-N 2.9Å
389H44.5Very low45.2Very low139 Ų139120 Ų12064%0.64467%0.674SS**Hα-helixtrans-67.6-32.6177.4-160.660.2000113L385 L386 R387 S392L385-H389 PolarHBondContact O-N 3.38Å; L386-H389 PolarHBondContact O-N 3.11Å; R387-H389 VanDerWaalsContact C-N 3.32Å; H389-S392 PolarHBondContact O-N 3.05Å; H389-S392 PolarHBondContact O-OG 3.07Å
390Q44.5Very low44.1Very low150 Ų150117.4 Ų117.470%0.70168%0.681SS**Hα-helixtrans-74.8-23.3-179.4-165.5152.593.100113.4L386 R387 S388 A393L386-Q390 PolarHBondContact O-N 3.04Å; R387-Q390 PolarHBondContact O-N 2.93Å; S388-Q390 VanDerWaalsContact C-N 3.34Å; S388-Q390 PolarHBondContact O-N 2.75Å; Q390-A393 PolarHBondContact O-N 3.32Å
391Q38.9Very low43.8Very low161 Ų161120 Ų12075%0.75270%0.703SS**Hα-helixtrans-76.5-21.9174.6-79.7179.2-52.200113.8R387 S388 A393R387-Q391 PolarHBondContact O-N 3.02Å; S388-Q391 PolarHBondContact O-N 2.9Å; Q391-A393 VanDerWaalsContact C-N 3.34Å
392S37Very low43Very low85 Ų85124 Ų12459%0.59472%0.721SS**THydrogen-bonded Turntrans-82.8-9170.559.50000113.9H389H389-S392 PolarHBondContact O-N 3.05Å; H389-S392 PolarHBondContact O-OG 3.07Å
393A37.8Very low42.2Very low65 Ų65123.9 Ų123.954%0.53772%0.724SS.*THydrogen-bonded Turntrans-95.84-168.200000115.3Q390 Q391Q390-A393 PolarHBondContact O-N 3.32Å; Q391-A393 VanDerWaalsContact C-N 3.34Å
394M39.3Very low41.3Very low178 Ų178122.6 Ų122.688%0.87773%0.728SS**THydrogen-bonded Turntrans-101-2.4177.4-67-163.878.600114.9
395E41.4Very low40Very low195 Ų195126.3 Ų126.391%0.91174%0.74SS**SBendtrans-127.752.4170.9-74.9-160136.500113.2
396A35.3Very low38.8Very low87 Ų87125.2 Ų125.272%0.71974%0.742SS**  trans-160.1101.3154.100000110.3
397G30.9Very low37.7Very low78 Ų78127.8 Ų127.880%0.80476%0.755SS**  trans-76.3149170.700000112.2
398A33.4Very low37Very low107 Ų107123.7 Ų123.788%0.88475%0.754SS**SBendtrans7892.9165.400000119.4
399G33.4Very low36.5Very low90 Ų90128.4 Ų128.493%0.92877%0.773SS**  95.7112.8118.600000118.9
400G33.8Very low35.9Very low71 Ų71127 Ų12773%0.73278%0.776SS**  trans142.799.2162.100000113.8
401V41.8Very low35.3Very low144 Ų144128.4 Ų128.487%0.87379%0.787SS**  trans-78.4125.1165.3177.80000107.9
402M37.9Very low35.1Very low175 Ų175126.4 Ų126.486%0.86279%0.786SS**  trans-133.2143.3171.7-73-64.3163.900111.3
403D34.7Very low34.9Very low122 Ų122131.4 Ų131.465%0.65280%0.8SS**  trans-86138.4-167.1-175.134.7000112F405D403-F405 VanDerWaalsContact C-N 3.26Å; D403-F405 PolarHBondContact O-N 2.94Å
404P40Very low34.9Very low110 Ų110138.6 Ų138.671%0.71481%0.814SS**THydrogen-bonded Turntrans-72.6-2.6-164.9-19.733.8000117.1
405F32.8Very low34.7Very low190 Ų190135.4 Ų135.483%0.83380%0.8SS**THydrogen-bonded Turntrans-12315-164.4-71.2-70.4000116.6D403D403-F405 VanDerWaalsContact C-N 3.26Å; D403-F405 PolarHBondContact O-N 2.94Å
406S31.6Very low34.3Very low92 Ų92133.2 Ų133.264%0.64379%0.788SS**  trans-10498.1172.4-74.40000113.2S408S406-S408 VanDerWaalsContact C-N 3.31Å; S406-S408 PolarHBondContact O-N 3.22Å; S406-S408 VanDerWaalsContact O-N 3.13Å
407L32.1Very low34.6Very low188 Ų188133.9 Ų133.998%0.98478%0.783SS**  trans-82.571167.6-73.7174000111.3
408S32.3Very low34.9Very low96 Ų96136.5 Ų136.567%0.67177%0.774SS**  trans-152.184.8166.658.20000111.1S406S406-S408 VanDerWaalsContact C-N 3.31Å; S406-S408 PolarHBondContact O-N 3.22Å; S406-S408 VanDerWaalsContact O-N 3.13Å
409L33.4Very low35.2Very low173 Ų173137.1 Ų137.191%0.90676%0.761SS**  trans-77.7133.2171.9-71.6173.2000110.6
410P31.1Very low35.4Very low110 Ų110139.6 Ų139.671%0.71475%0.748SS**  trans-66.4151.6172.5-18.532000112.3T412P410-T412 PolarHBondContact O-N 3Å; P410-T412 VanDerWaalsContact O-N 3.15Å
411L33.4Very low35.8Very low180 Ų180139.5 Ų139.594%0.94274%0.736SS**  trans-76.396.4176.6-163.779.2000110.2
412T33.9Very low35.7Very low119 Ų119137 Ų13773%0.7372%0.718SS**  trans-100139.2168.8-200000110.3P410P410-T412 PolarHBondContact O-N 3Å; P410-T412 VanDerWaalsContact O-N 3.15Å
413E32.7Very low35.9Very low189 Ų189134 Ų13488%0.88370%0.704SS**  trans-67.7133.4-167.3-62.2171.3126.800113N415E413-N415 PolarHBondContact O-N 2.88Å
414W37.3Very low36.2Very low217 Ų217135.2 Ų135.282%0.82270%0.704SS**  trans-77102.5178.2-75.169.8000110.7F416W414-F416 PolarHBondContact O-N 3.41Å
415N35.4Very low36.2Very low111 Ų111133.2 Ų133.259%0.59469%0.693SS**  trans-79.5102.4177.6-168.64.7000111.5E413 T417 E418E413-N415 PolarHBondContact O-N 2.88Å; N415-T417 VanDerWaalsContact C-N 3.25Å; N415-T417 PolarHBondContact O-N 2.9Å; N415-T417 VanDerWaalsContact O-N 3.14Å; N415-T417 PolarHBondContact OD1-OG1 3.34Å; N415-E418 PolarHBondContact O-N 3.17Å
416F33.9Very low36.4Very low149 Ų149133 Ų13365%0.65469%0.687SS**THydrogen-bonded Turntrans-65.8-15.4-169.9-101.5-93.3000116W414 E418W414-F416 PolarHBondContact O-N 3.41Å; F416-E418 VanDerWaalsContact C-N 3.35Å
417T40.4Very low36.7Very low101 Ų101135.6 Ų135.662%0.6269%0.691SS**Hα-helixtrans-75-21.3-179.945.70000113.9N415N415-T417 VanDerWaalsContact C-N 3.25Å; N415-T417 PolarHBondContact O-N 2.9Å; N415-T417 VanDerWaalsContact O-N 3.14Å; N415-T417 PolarHBondContact OD1-OG1 3.34Å
418E36.8Very low37.1Very low132 Ų132134.9 Ų134.962%0.61768%0.681SS**Hα-helixtrans-87.5-15.7-176.3-162.6163.6-149.400113.2N415 F416 S421 N422N415-E418 PolarHBondContact O-N 3.17Å; F416-E418 VanDerWaalsContact C-N 3.35Å; E418-S421 PolarHBondContact O-OG 3.29Å; E418-N422 PolarHBondContact O-ND2 2.81Å
419M39.6Very low37.6Very low121 Ų121137.6 Ų137.660%0.59668%0.683SS**Hα-helixtrans-82.3-29.4176.9-162167.4-178.600112.3L423M419-L423 PolarHBondContact O-N 3.17Å
420E37.8Very low37.9Very low142 Ų142136.8 Ų136.866%0.66468%0.679SS**Hα-helixtrans-76.3-26.6-178.1-160.7176.7-14600113
421S42.4Very low38.4Very low69 Ų69139.9 Ų139.948%0.48368%0.684SS.*Hα-helixtrans-72.4-45.7172.254.10000111.8E418 L423 K424E418-S421 PolarHBondContact O-OG 3.29Å; S421-L423 VanDerWaalsContact C-N 3.31Å; S421-L423 PolarHBondContact O-N 3.46Å; S421-K424 PolarHBondContact O-N 2.84Å
422N39.6Very low38.6Very low91 Ų91140.9 Ų140.949%0.48768%0.684SS.*Hα-helixtrans-59.2-40.3177.7-83.1-68.1000112.2E418 K424 S425 Y426E418-N422 PolarHBondContact O-ND2 2.81Å; N422-K424 VanDerWaalsContact C-N 3.26Å; N422-K424 PolarHBondContact O-N 3.32Å; N422-S425 PolarHBondContact O-N 2.78Å; N422-S425 VanDerWaalsContact O-N 3.15Å; N422-Y426 WeakPolarHBondContact O-CD2 3.22Å; N422-Y426 PolarHBondContact O-N 2.76Å
423L41.9Very low38.9Very low111 Ų111139.8 Ų139.858%0.58169%0.687SS**Hα-helixtrans-62.2-30.4179.8-153.679.7000113.5M419 S421M419-L423 PolarHBondContact O-N 3.17Å; S421-L423 VanDerWaalsContact C-N 3.31Å; S421-L423 PolarHBondContact O-N 3.46Å
424K42.5Very low39.1Very low149 Ų149139 Ų13965%0.64868%0.683SS**Hα-helixtrans-72.7-34.3176.1-75.3177.8-1801680112.8S421 N422 M427S421-K424 PolarHBondContact O-N 2.84Å; N422-K424 VanDerWaalsContact C-N 3.26Å; N422-K424 PolarHBondContact O-N 3.32Å; K424-M427 PolarHBondContact O-N 2.82Å
425S39Very low38.9Very low68 Ų68133.2 Ų133.248%0.47668%0.682SS.*Hα-helixtrans-64-42.3179.8-159.50000111.6N422 M427 F428N422-S425 PolarHBondContact O-N 2.78Å; N422-S425 VanDerWaalsContact O-N 3.15Å; S425-M427 VanDerWaalsContact C-N 3.3Å; S425-M427 PolarHBondContact O-N 2.96Å; S425-F428 PolarHBondContact O-N 3.27Å
426Y36.7Very low38.8Very low184 Ų184137 Ų13772%0.72269%0.693SS**Hα-helixtrans-68.8-20.7-179.1-81.5-76.6000114.9N422N422-Y426 WeakPolarHBondContact O-CD2 3.22Å; N422-Y426 PolarHBondContact O-N 2.76Å
427M37.6Very low39Very low148 Ų148135.9 Ų135.973%0.72970%0.701SS**Hα-helixtrans-86-27.4177.9-67.6-160.6-168.100114.1K424 S425K424-M427 PolarHBondContact O-N 2.82Å; S425-M427 VanDerWaalsContact C-N 3.3Å; S425-M427 PolarHBondContact O-N 2.96Å
428F42.3Very low38.6Very low173 Ų173135.8 Ų135.876%0.75971%0.71SS**Hα-helixtrans-91.2-15.2-172.9-97.8-87000115S425 N430S425-F428 PolarHBondContact O-N 3.27Å; F428-N430 VanDerWaalsContact C-N 3.3Å; F428-N430 PolarHBondContact O-N 2.96Å
429Q41.9Very low38.4Very low153 Ų153134.3 Ų134.372%0.71572%0.721SS**THydrogen-bonded Turntrans-82.51.1-168.9-153.5160.68.300115.2
430N40.6Very low38Very low155 Ų155134.1 Ų134.183%0.82973%0.731SS**THydrogen-bonded Turntrans-111.520.4-174.5-82.4-40.6000114.6F428F428-N430 VanDerWaalsContact C-N 3.3Å; F428-N430 PolarHBondContact O-N 2.96Å
431Q40.5Very low37.9Very low176 Ų176132.9 Ų132.982%0.82274%0.737SS**SBendtrans-125.6-2.6-174-159.9151.635.800116.9
432E38.7Very low37.6Very low200 Ų200138.4 Ų138.494%0.93576%0.755SS**  trans-126.383.2178.6-72.8-173.1114.100112.7
433A39.7Very low37.4Very low96 Ų96141.5 Ų141.579%0.79377%0.772SS**  trans-157.941.2172.500000115.2
434E37.2Very low37.1Very low173 Ų173148.7 Ų148.781%0.80880%0.802SS**  trans-143.183.2171-97.7-69.6148.600110
435A32.1Very low36.8Very low95 Ų95148.7 Ų148.779%0.78581%0.81SS**  trans-154.988.9173.700000111.7
436F34.4Very low36.7Very low191 Ų191152.9 Ų152.984%0.83883%0.828SS**  trans-72.8141.1168.9-79.8-93.7000112
437P38.2Very low36.7Very low125 Ų125151.2 Ų151.281%0.81283%0.834SS**  trans-106151.2148.434.9-27.7000111.4
438A31.9Very low36.7Very low99 Ų99151.4 Ų151.482%0.81884%0.84SS**  trans-112.7166.1179.500000112.2
439A31.8Very low36.3Very low102 Ų102150 Ų15084%0.84385%0.845SS**  trans71.8152.5178.100000115.6
440S30.2Very low35.9Very low116 Ų116149.8 Ų149.881%0.81185%0.854SS**  cis-141.2162.45.8-163.80000112.5
441C36.5Very low35.6Very low117 Ų117149.4 Ų149.479%0.79186%0.855SS**  trans-83.2140161.9-1660000109.4
442E35.7Very low35.2Very low185 Ų185147.4 Ų147.486%0.86486%0.858SS**  trans-173.2163.3146.6-109.5174171.400112.1
443D36.8Very low34.9Very low155 Ų155143 Ų14383%0.82985%0.851SS**  trans-59.1144.8-164.8-67.8-77.5000117.6
444Q34.6Very low34.5Very low262 Ų262147.3 Ų147.3100%1.22486%0.857SS**  -165.60103-162.1147.8105.300113.2

Retrieved 444 of 444 residues in 94.5 ms (Link to these results)

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