A0A087X4F4_POEFO Loading...

Gap junction protein

One gap junction consists of a cluster of closely packed pairs of transmembrane channels, the connexons, through which materials of low MW diffuse from one cell to a neighboring cell.

AlphaFold DB , UniProt , Accession A0A087X4F4, Species POEFO (Poecilia formosa, Amazon molly), Gene GJA5, Length 358 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
1M38.4Very low54.9Low235 Ų235105.9 Ų105.9100%1.15857%0.568SS**  0127.90-78.780.7164.300108.2
2G50.6Low55.1Low51 Ų51108.7 Ų108.753%0.52658%0.575SS.*  trans-77.3138.7175.500000111.1W4G2-W4 PolarHBondContact O-N 3.31Å; G2-W4 PolarHBondContact O-NE1 3.18Å
3D52.5Low54.9Low143 Ų143109.8 Ų109.877%0.76558%0.575SS**  trans-73.293.8176.9-80.3-36.8000110.8S5D3-S5 PolarHBondContact O-N 3.48Å
4W61Low54.9Low162 Ų162104.6 Ų104.661%0.61456%0.556SS**THydrogen-bonded Turntrans-77.4-5.6176.1-60100.8000113.6G2 L6 L7 G8 I34G2-W4 PolarHBondContact O-N 3.31Å; G2-W4 PolarHBondContact O-NE1 3.18Å; W4-L6 PolarHBondContact O-N 2.78Å; W4-L7 HydrophobicContact CE3-CD2 4.2Å; W4-L7 HydrophobicContact CZ3-CD2 4.32Å; W4-L7 PolarHBondContact O-N 3.13Å; W4-G8 PolarHBondContact O-N 3.27Å; W4-I34 HydrophobicContact CE3-CG2 4.42Å; W4-I34 HydrophobicContact CZ3-CG2 4.28Å
5S53.9Low54.5Low69 Ų69104.1 Ų104.148%0.48355%0.549SS..Hα-helixtrans-64-37.5-177.755.40000113D3 G8 N9D3-S5 PolarHBondContact O-N 3.48Å; S5-G8 PolarHBondContact O-N 2.95Å; S5-N9 VanDerWaalsContact O-CG 3.26Å; S5-N9 PolarHBondContact O-N 3.45Å; S5-N9 PolarHBondContact O-OD1 3.08Å
6L56.6Low54.1Low129 Ų129107.6 Ų107.668%0.67556%0.561SS**Hα-helixtrans-67.6-37.2176.9-67177.3000112.1W4 F10W4-L6 PolarHBondContact O-N 2.78Å; L6-F10 PolarHBondContact O-N 3.04Å
7L57.1Low53.8Low73 Ų73106 Ų10638%0.38255%0.55SS.*Hα-helixtrans-70.7-37.8176.9-153.380.5000110.8W4 L11 I34W4-L7 HydrophobicContact CE3-CD2 4.2Å; W4-L7 HydrophobicContact CZ3-CD2 4.32Å; W4-L7 PolarHBondContact O-N 3.13Å; L7-L11 HydrophobicContact CG-CD1 4.43Å; L7-L11 WeakPolarHBondContact O-CB 3.37Å; L7-L11 WeakPolarHBondContact O-CD1 3.46Å; L7-L11 VanDerWaalsContact O-CG 3.23Å; L7-L11 WeakPolarHBondContact O-CG 3.45Å; L7-L11 PolarHBondContact O-N 3.48Å; L7-I34 HydrophobicContact CD2-CD1 3.72Å
8G57Low53.3Low32 Ų32101.7 Ų101.733%0.3353%0.531SS..Hα-helixtrans-61.1-51.5174.500000112.7W4 S5 F10 L11 E12W4-G8 PolarHBondContact O-N 3.27Å; S5-G8 PolarHBondContact O-N 2.95Å; G8-F10 VanDerWaalsContact C-N 3.29Å; G8-F10 PolarHBondContact O-N 3.29Å; G8-L11 WeakPolarHBondContact O-CB 3.5Å; G8-L11 PolarHBondContact O-N 3.34Å; G8-L11 VanDerWaalsContact O-N 3.13Å; G8-E12 WeakPolarHBondContact O-CB 3.28Å; G8-E12 PolarHBondContact O-N 3.16Å
9N58.5Low53.1Low101 Ų101102.3 Ų102.354%0.5454%0.539SS..Hα-helixtrans-62.7-36.2-179.9-66.1-9.1000112.1S5 E12 E13S5-N9 VanDerWaalsContact O-CG 3.26Å; S5-N9 PolarHBondContact O-N 3.45Å; S5-N9 PolarHBondContact O-OD1 3.08Å; N9-E12 PolarHBondContact O-N 3.16Å; N9-E13 PolarHBondContact O-N 3.47Å; N9-E13 VanDerWaalsContact O-N 3.08Å
10F60.6Low53.6Low131 Ų13198.1 Ų98.158%0.57552%0.518SS*.Hα-helixtrans-71.7-34.3176-124.3-86.8000113L6 G8 A14 L90L6-F10 PolarHBondContact O-N 3.04Å; G8-F10 VanDerWaalsContact C-N 3.29Å; G8-F10 PolarHBondContact O-N 3.29Å; F10-A14 WeakPolarHBondContact O-CB 3.29Å; F10-A14 PolarHBondContact O-N 2.98Å; F10-L90 HydrophobicContact CD1-CD2 4.25Å
11L57.8Low54Low39 Ų3998.4 Ų98.420%0.20452%0.524CS..Hα-helixtrans-68.7-36.7174.4-79.3165000111.4L7 G8 A14 Q15 T27 F30 I31L7-L11 HydrophobicContact CG-CD1 4.43Å; L7-L11 WeakPolarHBondContact O-CB 3.37Å; L7-L11 WeakPolarHBondContact O-CD1 3.46Å; L7-L11 VanDerWaalsContact O-CG 3.23Å; L7-L11 WeakPolarHBondContact O-CG 3.45Å; L7-L11 PolarHBondContact O-N 3.48Å; G8-L11 WeakPolarHBondContact O-CB 3.5Å; G8-L11 PolarHBondContact O-N 3.34Å; G8-L11 VanDerWaalsContact O-N 3.13Å; L11-A14 PolarHBondContact O-N 2.97Å; L11-Q15 WeakPolarHBondContact O-CG 3.43Å; L11-Q15 PolarHBondContact O-N 3.5Å; L11-T27 HydrophobicContact CD2-CG2 4.25Å; L11-F30 HydrophobicContact CD1-CD1 4.29Å; L11-F30 HydrophobicContact CD1-CE1 4.11Å; L11-F30 HydrophobicContact CD2-CD1 3.77Å; L11-F30 HydrophobicContact CD2-CE1 3.93Å; L11-I31 HydrophobicContact CD1-CG1 4.5Å
12E57.6Low55.3Low139 Ų13988 Ų8865%0.6548%0.477SS*.Hα-helixtrans-69.5-43.2178.4-165.6160.2-166.200111.6G8 N9 A14 Q15G8-E12 WeakPolarHBondContact O-CB 3.28Å; G8-E12 PolarHBondContact O-N 3.16Å; N9-E12 PolarHBondContact O-N 3.16Å; E12-A14 PolarHBondContact O-N 3.29Å; E12-Q15 WeakPolarHBondContact O-CB 3.41Å; E12-Q15 PolarHBondContact O-N 3.13Å
13E52.1Low56.3Low124 Ų12487.7 Ų87.758%0.57946%0.461SS*.Hα-helixtrans-68.4-23.4175.6-165.9151.9-179.900113N9 Q15 M97N9-E13 PolarHBondContact O-N 3.47Å; N9-E13 VanDerWaalsContact O-N 3.08Å; E13-Q15 VanDerWaalsContact C-N 3.34Å; E13-M97 HydrophobicContact CG-CE 4.37Å
14A55Low57.5Low36 Ų3683.5 Ų83.530%0.29844%0.441SS..THydrogen-bonded Turntrans-75.7-17.7170.400000113.8F10 L11 E12 M93F10-A14 WeakPolarHBondContact O-CB 3.29Å; F10-A14 PolarHBondContact O-N 2.98Å; L11-A14 PolarHBondContact O-N 2.97Å; E12-A14 PolarHBondContact O-N 3.29Å; A14-M93 HydrophobicContact CB-CE 4.43Å
15Q49.6Very low58.4Low97 Ų9782.4 Ų82.445%0.45344%0.437SS..THydrogen-bonded Turntrans-81.7-28.3-176.3-66-113.7-73.800113.4L11 E12 E13 H17L11-Q15 WeakPolarHBondContact O-CG 3.43Å; L11-Q15 PolarHBondContact O-N 3.5Å; E12-Q15 WeakPolarHBondContact O-CB 3.41Å; E12-Q15 PolarHBondContact O-N 3.13Å; E13-Q15 VanDerWaalsContact C-N 3.34Å; Q15-H17 PolarHBondContact O-N 3.19Å; Q15-H17 VanDerWaalsContact O-N 3.16Å
16E47.6Very low59.6Low161 Ų16179.4 Ų79.475%0.75242%0.415SS*.THydrogen-bonded Turntrans-76.1-7.1-166.3-151.3173.7-163.900114.2
17H48.4Very low60.8Low80 Ų8074.7 Ų74.737%0.3739%0.392SS..THydrogen-bonded Turntrans-124.810.6-165.7-7078.4000116.3Q15 I311Q15-H17 PolarHBondContact O-N 3.19Å; Q15-H17 VanDerWaalsContact O-N 3.16Å; H17-I311 VanDerWaalsContact CD2-CG2 3.43Å; H17-I311 WeakPolarHBondContact CD2-CG2 3.06Å
18S44.6Very low62.1Low29 Ų2975.1 Ų75.120%0.20339%0.394CS..  trans-151.6105.5-176-129.60000116.5S20 K23S18-S20 VanDerWaalsContact C-N 3.33Å; S18-S20 PolarHBondContact O-N 2.69Å; S18-K23 WeakPolarHBondContact OG-CD 3.41Å; S18-K23 PolarHBondContact OG-NZ 3.47Å
19T50.4Low63.5Low112 Ų11274.7 Ų74.769%0.68738%0.384SS*.  trans-96.345.6163.241.70000112.4V21 F308T19-V21 PolarHBondContact O-N 3.37Å; T19-F308 WeakPolarHBondContact O-CE2 3.45Å; T19-F308 WeakPolarHBondContact O-CZ 3.48Å
20S62.9Low64.8Low18 Ų1870.9 Ų70.913%0.12636%0.363CS..  trans-76.7111.8147.652.30000107.3S18 G22 K23 V24S18-S20 VanDerWaalsContact C-N 3.33Å; S18-S20 PolarHBondContact O-N 2.69Å; S20-G22 PolarHBondContact O-N 3.33Å; S20-K23 PolarHBondContact O-N 3.4Å; S20-K23 WeakPolarHBondContact OG-CB 3.3Å; S20-K23 WeakPolarHBondContact OG-CD 3.48Å; S20-K23 VanDerWaalsContact OG-CE 3.24Å; S20-K23 WeakPolarHBondContact OG-CE 3.49Å; S20-K23 WeakPolarHBondContact OG-CG 3.42Å; S20-V24 PolarHBondContact O-N 2.88Å
21V62.8Low66.1Low105 Ų10568.4 Ų68.464%0.63635%0.354SS*.Hα-helixtrans-41.5-43.7179174.60000111.4T19 K23 V24 W25T19-V21 PolarHBondContact O-N 3.37Å; V21-K23 PolarHBondContact O-N 3.02Å; V21-V24 PolarHBondContact O-N 3.5Å; V21-W25 PolarHBondContact O-N 3.45Å; V21-W25 VanDerWaalsContact O-N 3.16Å
22G64.1Low67.5Low17 Ų1770.6 Ų70.618%0.17536%0.362CS..Hα-helixtrans-56.3-40.9175.900000115.4S20 W25 L26S20-G22 PolarHBondContact O-N 3.33Å; G22-W25 PolarHBondContact O-N 3.02Å; G22-L26 WeakPolarHBondContact O-CB 3.47Å; G22-L26 WeakPolarHBondContact O-CG 3.24Å; G22-L26 PolarHBondContact O-N 2.93Å
23K71.8Confident69.1Low44 Ų4464.3 Ų64.319%0.19133%0.333CS..Hα-helixtrans-67.8-41.2178.9-73.5179.8-157160.80112.6S18 S20 V21 L26 T27 Y133S18-K23 WeakPolarHBondContact OG-CD 3.41Å; S18-K23 PolarHBondContact OG-NZ 3.47Å; S20-K23 PolarHBondContact O-N 3.4Å; S20-K23 WeakPolarHBondContact OG-CB 3.3Å; S20-K23 WeakPolarHBondContact OG-CD 3.48Å; S20-K23 VanDerWaalsContact OG-CE 3.24Å; S20-K23 WeakPolarHBondContact OG-CE 3.49Å; S20-K23 WeakPolarHBondContact OG-CG 3.42Å; V21-K23 PolarHBondContact O-N 3.02Å; K23-L26 PolarHBondContact O-N 3.05Å; K23-T27 PolarHBondContact O-N 2.68Å; K23-T27 PolarHBondContact O-OG1 2.97Å; K23-Y133 WeakPolarHBondContact CE-OH 3.38Å
24V78.8Confident70.8Confident56 Ų5659.9 Ų59.934%0.33931%0.313SS..Hα-helixtrans-61.6-48177.4179.70000110S20 V21 L26 T27 I28S20-V24 PolarHBondContact O-N 2.88Å; V21-V24 PolarHBondContact O-N 3.5Å; V24-L26 PolarHBondContact O-N 2.92Å; V24-T27 PolarHBondContact O-N 3.28Å; V24-I28 HydrophobicContact CG1-CD1 3.94Å; V24-I28 WeakPolarHBondContact O-CG1 3.45Å; V24-I28 PolarHBondContact O-N 3.48Å
25W79.3Confident72.4Confident139 Ų13963 Ų6353%0.52732%0.324SS..Hα-helixtrans-64.3-40.6177.9-76.5102.9000112.9V21 G22 T27 I28 L29 L201V21-W25 PolarHBondContact O-N 3.45Å; V21-W25 VanDerWaalsContact O-N 3.16Å; G22-W25 PolarHBondContact O-N 3.02Å; W25-T27 VanDerWaalsContact C-N 3.31Å; W25-T27 PolarHBondContact O-N 2.87Å; W25-I28 PolarHBondContact O-N 3.32Å; W25-L29 WeakPolarHBondContact O-CB 3.47Å; W25-L29 VanDerWaalsContact O-CG 3.24Å; W25-L29 WeakPolarHBondContact O-CG 3.48Å; W25-L29 PolarHBondContact O-N 2.93Å; W25-L201 HydrophobicContact CB-CD1 3.71Å
26L78.9Confident74.3Confident6 Ų658.8 Ų58.83%0.03131%0.305CS..Hα-helixtrans-64.7-35176.8-72.5172.1000112.2G22 K23 V24 F30 L201G22-L26 WeakPolarHBondContact O-CB 3.47Å; G22-L26 WeakPolarHBondContact O-CG 3.24Å; G22-L26 PolarHBondContact O-N 2.93Å; K23-L26 PolarHBondContact O-N 3.05Å; V24-L26 PolarHBondContact O-N 2.92Å; L26-F30 WeakPolarHBondContact O-CB 3.31Å; L26-F30 PolarHBondContact O-N 2.7Å; L26-L201 HydrophobicContact CD2-CB 3.94Å; L26-L201 HydrophobicContact CD2-CD1 4.33Å; L26-L201 HydrophobicContact CG-CB 4.34Å
27T81.8Confident76.3Confident29 Ų2951.8 Ų51.818%0.17827%0.272CS..Hα-helixtrans-71-42.5174.6-570000111.8L11 K23 V24 W25 L29 F30 I31L11-T27 HydrophobicContact CD2-CG2 4.25Å; K23-T27 PolarHBondContact O-N 2.68Å; K23-T27 PolarHBondContact O-OG1 2.97Å; V24-T27 PolarHBondContact O-N 3.28Å; W25-T27 VanDerWaalsContact C-N 3.31Å; W25-T27 PolarHBondContact O-N 2.87Å; T27-L29 VanDerWaalsContact C-N 3.35Å; T27-L29 PolarHBondContact O-N 3.42Å; T27-F30 WeakPolarHBondContact O-CB 3.19Å; T27-F30 PolarHBondContact O-N 3.06Å; T27-F30 VanDerWaalsContact O-N 3.15Å; T27-I31 HydrophobicContact CG2-CD1 4.12Å; T27-I31 WeakPolarHBondContact O-CG1 3.12Å; T27-I31 PolarHBondContact O-N 2.87Å
28I85.4Confident78.2Confident83 Ų8350 Ų5043%0.42628%0.276SS..Hα-helixtrans-59.2-47.6175.1-69.2167000110.5V24 W25 F30 I31 F32V24-I28 HydrophobicContact CG1-CD1 3.94Å; V24-I28 WeakPolarHBondContact O-CG1 3.45Å; V24-I28 PolarHBondContact O-N 3.48Å; W25-I28 PolarHBondContact O-N 3.32Å; I28-F30 VanDerWaalsContact C-N 3.26Å; I28-F30 PolarHBondContact O-N 3.29Å; I28-I31 PolarHBondContact O-N 3.32Å; I28-F32 WeakPolarHBondContact O-CB 3.42Å; I28-F32 PolarHBondContact O-N 3.36Å
29L85.6Confident80.2Confident23 Ų2352 Ų5212%0.1229%0.287CS..Hα-helixtrans-62.4-35177.4-67.9170.8000111.8W25 T27 F32 R33 V194 V197 L201W25-L29 WeakPolarHBondContact O-CB 3.47Å; W25-L29 VanDerWaalsContact O-CG 3.24Å; W25-L29 WeakPolarHBondContact O-CG 3.48Å; W25-L29 PolarHBondContact O-N 2.93Å; T27-L29 VanDerWaalsContact C-N 3.35Å; T27-L29 PolarHBondContact O-N 3.42Å; L29-F32 PolarHBondContact O-N 2.95Å; L29-R33 WeakPolarHBondContact O-CG 3.1Å; L29-R33 PolarHBondContact O-N 3.37Å; L29-V194 HydrophobicContact CB-CG1 4.28Å; L29-V194 HydrophobicContact CD2-CG1 4.14Å; L29-V197 HydrophobicContact CD1-CB 4.49Å; L29-V197 HydrophobicContact CD1-CG1 3.88Å; L29-L201 HydrophobicContact CD1-CD1 3.63Å
30F85.7Confident81.9Confident21 Ų2146.6 Ų46.69%0.09225%0.254CS..Hα-helixtrans-66.1-47.4175.7-177.1-104.6000112.5L11 L26 T27 I28 F32 R33 I34 I82 S86L11-F30 HydrophobicContact CD1-CD1 4.29Å; L11-F30 HydrophobicContact CD1-CE1 4.11Å; L11-F30 HydrophobicContact CD2-CD1 3.77Å; L11-F30 HydrophobicContact CD2-CE1 3.93Å; L26-F30 WeakPolarHBondContact O-CB 3.31Å; L26-F30 PolarHBondContact O-N 2.7Å; T27-F30 WeakPolarHBondContact O-CB 3.19Å; T27-F30 PolarHBondContact O-N 3.06Å; T27-F30 VanDerWaalsContact O-N 3.15Å; I28-F30 VanDerWaalsContact C-N 3.26Å; I28-F30 PolarHBondContact O-N 3.29Å; F30-F32 VanDerWaalsContact C-N 3.26Å; F30-F32 PolarHBondContact O-N 2.94Å; F30-R33 WeakPolarHBondContact O-CB 3.44Å; F30-R33 PolarHBondContact O-N 3.44Å; F30-I34 HydrophobicContact CD1-CD1 3.91Å; F30-I34 HydrophobicContact CE1-CD1 3.35Å; F30-I34 HydrophobicContact CE1-CG1 4.36Å; F30-I34 HydrophobicContact CZ-CD1 3.72Å; F30-I34 HydrophobicContact CZ-CG1 4.4Å; F30-I34 PolarHBondContact O-N 2.89Å; F30-I34 VanDerWaalsContact O-N 3.17Å; F30-I82 HydrophobicContact CD2-CG2 4.42Å; F30-I82 HydrophobicContact CE2-CB 4.26Å; F30-I82 HydrophobicContact CE2-CG2 3.33Å; F30-I82 HydrophobicContact CZ-CG2 3.61Å; F30-S86 WeakPolarHBondContact CD2-OG 3.28Å; F30-S86 WeakPolarHBondContact CE2-OG 3.35Å; F30-S86 VanDerWaalsContact CZ-OG 3.22Å; F30-S86 WeakPolarHBondContact CZ-OG 3.42Å
31I87.6Confident82.9Confident78 Ų7847.4 Ų47.440%0.426%0.262SS..Hα-helixtrans-58.9-43.6175.6-67.3166.5000110L11 T27 I28 R33 I34 L35L11-I31 HydrophobicContact CD1-CG1 4.5Å; T27-I31 HydrophobicContact CG2-CD1 4.12Å; T27-I31 WeakPolarHBondContact O-CG1 3.12Å; T27-I31 PolarHBondContact O-N 2.87Å; I28-I31 PolarHBondContact O-N 3.32Å; I31-R33 VanDerWaalsContact C-N 3.31Å; I31-R33 PolarHBondContact O-N 3.32Å; I31-I34 PolarHBondContact O-N 3.27Å; I31-I34 VanDerWaalsContact O-N 3.13Å; I31-L35 PolarHBondContact O-N 3.39Å
32F87.2Confident83.6Confident86 Ų8650.7 Ų50.738%0.37727%0.27SS..Hα-helixtrans-62-37.7179.2-165-130.7000112.6I28 L29 F30 L35 V36 F190 V194I28-F32 WeakPolarHBondContact O-CB 3.42Å; I28-F32 PolarHBondContact O-N 3.36Å; L29-F32 PolarHBondContact O-N 2.95Å; F30-F32 VanDerWaalsContact C-N 3.26Å; F30-F32 PolarHBondContact O-N 2.94Å; F32-L35 PolarHBondContact O-N 3.41Å; F32-V36 WeakPolarHBondContact O-CG2 3.16Å; F32-V36 PolarHBondContact O-N 3.44Å; F32-F190 HydrophobicContact CD1-CE1 4.1Å; F32-F190 HydrophobicContact CD1-CE2 4.35Å; F32-F190 AromaticContact CD1-CZ 3.55Å; F32-F190 HydrophobicContact CD1-CZ 3.55Å; F32-F190 AromaticContact CE1-CE1 3.85Å; F32-F190 HydrophobicContact CE1-CE1 3.85Å; F32-F190 AromaticContact CE1-CE2 3.33Å; F32-F190 HydrophobicContact CE1-CE2 3.33Å; F32-F190 AromaticContact CE1-CZ 2.89Å; F32-F190 HydrophobicContact CE1-CZ 2.89Å; F32-F190 HydrophobicContact CE2-CZ 4.06Å; F32-F190 HydrophobicContact CG-CZ 4.39Å; F32-F190 HydrophobicContact CZ-CE1 4.39Å; F32-F190 AromaticContact CZ-CE2 3.51Å; F32-F190 HydrophobicContact CZ-CE2 3.51Å; F32-F190 AromaticContact CZ-CZ 3.19Å; F32-F190 HydrophobicContact CZ-CZ 3.19Å; F32-V194 HydrophobicContact CD1-CG2 4.05Å; F32-V194 HydrophobicContact CE1-CG2 4.26Å
33R91.1Very high84.4Confident6 Ų652 Ų522%0.02328%0.276CS..Hα-helixtrans-61.3-44.1172.1-73.7-177.2-169.8-179.47.9112.5L29 F30 I31 V36 L37 I82 E144 M191 V194 S198L29-R33 WeakPolarHBondContact O-CG 3.1Å; L29-R33 PolarHBondContact O-N 3.37Å; F30-R33 WeakPolarHBondContact O-CB 3.44Å; F30-R33 PolarHBondContact O-N 3.44Å; I31-R33 VanDerWaalsContact C-N 3.31Å; I31-R33 PolarHBondContact O-N 3.32Å; R33-V36 PolarHBondContact O-N 2.99Å; R33-L37 VanDerWaalsContact O-CB 3.25Å; R33-L37 WeakPolarHBondContact O-CB 3.5Å; R33-L37 PolarHBondContact O-N 3.25Å; R33-I82 HydrophobicContact CB-CD1 3.99Å; R33-I82 HydrophobicContact CB-CG1 4.33Å; R33-E144 IonicContact CZ-OE1 3.68Å; R33-E144 VanDerWaalsContact CZ-OE1 3.27Å; R33-E144 IonicContact NH1-OE1 3.6Å; R33-E144 PolarHBondContact NH1-OE1 3.22Å; R33-E144 IonicContact NH1-OE2 2.95Å; R33-E144 PolarHBondContact NH1-OE2 2.85Å; R33-E144 IonicContact NH2-OE1 2.8Å; R33-E144 PolarHBondContact NH2-OE1 3.33Å; R33-M191 HydrophobicContact CB-CE 4.39Å; R33-M191 HydrophobicContact CG-SD 4.26Å; R33-V194 HydrophobicContact CG-CG1 3.74Å; R33-V194 PolarHBondContact NH2-O 3.18Å; R33-S198 VanDerWaalsContact NH2-CB 3.33Å; R33-S198 PolarHBondContact NH2-OG 2.72Å
34I89.1Confident85Confident32 Ų3249.9 Ų49.916%0.16427%0.267CS..Hα-helixtrans-64.9-43.4179.2-65.3170.7000110.3W4 L7 F30 I31 V36 L37 G38 I82W4-I34 HydrophobicContact CE3-CG2 4.42Å; W4-I34 HydrophobicContact CZ3-CG2 4.28Å; L7-I34 HydrophobicContact CD2-CD1 3.72Å; F30-I34 HydrophobicContact CD1-CD1 3.91Å; F30-I34 HydrophobicContact CE1-CD1 3.35Å; F30-I34 HydrophobicContact CE1-CG1 4.36Å; F30-I34 HydrophobicContact CZ-CD1 3.72Å; F30-I34 HydrophobicContact CZ-CG1 4.4Å; F30-I34 PolarHBondContact O-N 2.89Å; F30-I34 VanDerWaalsContact O-N 3.17Å; I31-I34 PolarHBondContact O-N 3.27Å; I31-I34 VanDerWaalsContact O-N 3.13Å; I34-V36 PolarHBondContact O-N 3.24Å; I34-L37 WeakPolarHBondContact O-CB 3.47Å; I34-L37 PolarHBondContact O-N 3.26Å; I34-G38 PolarHBondContact O-N 3Å; I34-I82 HydrophobicContact CG1-CG2 4.46Å
35L88.9Confident85.4Confident100 Ų10048.2 Ų48.252%0.52426%0.255SS..Hα-helixtrans-59.1-50177.8-174.2155.9000111I31 F32 L37 G38 T39I31-L35 PolarHBondContact O-N 3.39Å; F32-L35 PolarHBondContact O-N 3.41Å; L35-L37 VanDerWaalsContact C-N 3.32Å; L35-L37 PolarHBondContact O-N 3.18Å; L35-G38 PolarHBondContact O-N 3.34Å; L35-T39 HydrophobicContact CD2-CG2 4.24Å; L35-T39 PolarHBondContact O-N 3.03Å
36V88.7Confident85.5Confident9 Ų944.7 Ų44.76%0.05526%0.262CS..Hα-helixtrans-66-36179.61710000112.1F32 R33 I34 G38 T39 A40 F187 F190 M191F32-V36 WeakPolarHBondContact O-CG2 3.16Å; F32-V36 PolarHBondContact O-N 3.44Å; R33-V36 PolarHBondContact O-N 2.99Å; I34-V36 PolarHBondContact O-N 3.24Å; V36-G38 VanDerWaalsContact C-N 3.3Å; V36-G38 PolarHBondContact O-N 2.85Å; V36-T39 PolarHBondContact O-N 2.74Å; V36-T39 PolarHBondContact O-OG1 3.47Å; V36-T39 VanDerWaalsContact O-OG1 3.11Å; V36-A40 WeakPolarHBondContact O-CB 3.48Å; V36-A40 PolarHBondContact O-N 3.38Å; V36-F187 HydrophobicContact CG1-CD1 3.8Å; V36-F187 HydrophobicContact CG1-CE1 4.23Å; V36-F190 HydrophobicContact CB-CE1 3.84Å; V36-F190 HydrophobicContact CB-CZ 4.48Å; V36-F190 HydrophobicContact CG1-CD1 4Å; V36-F190 HydrophobicContact CG1-CE1 3.77Å; V36-F190 HydrophobicContact CG2-CD1 4.24Å; V36-F190 HydrophobicContact CG2-CE1 3.24Å; V36-F190 HydrophobicContact CG2-CZ 3.42Å; V36-F190 VanDerWaalsContact CG2-CZ 3.42Å; V36-M191 HydrophobicContact CB-SD 4.46Å; V36-M191 HydrophobicContact CG1-SD 4.14Å
37L89.5Confident85.7Confident14 Ų1445.9 Ų45.97%0.07327%0.268CS..Hα-helixtrans-60.9-42.1173.5-172.272.8000111.5R33 I34 L35 A41 I75 W78 V79 I82R33-L37 VanDerWaalsContact O-CB 3.25Å; R33-L37 WeakPolarHBondContact O-CB 3.5Å; R33-L37 PolarHBondContact O-N 3.25Å; I34-L37 WeakPolarHBondContact O-CB 3.47Å; I34-L37 PolarHBondContact O-N 3.26Å; L35-L37 VanDerWaalsContact C-N 3.32Å; L35-L37 PolarHBondContact O-N 3.18Å; L37-A41 WeakPolarHBondContact O-CB 3.33Å; L37-A41 PolarHBondContact O-N 3.46Å; L37-I75 HydrophobicContact CD1-CB 4.47Å; L37-I75 HydrophobicContact CD1-CD1 4.29Å; L37-I75 HydrophobicContact CD1-CG2 3.78Å; L37-I75 HydrophobicContact CG-CG2 4.47Å; L37-W78 HydrophobicContact CD1-CB 3.84Å; L37-W78 HydrophobicContact CD1-CE3 3.99Å; L37-V79 HydrophobicContact CD1-CG2 4.43Å; L37-V79 HydrophobicContact CD2-CG2 3.69Å; L37-I82 HydrophobicContact CD2-CD1 4.03Å
38G87.4Confident85.8Confident43 Ų4344.9 Ų44.944%0.44326%0.261SS..Hα-helixtrans-62.9-47.2176.700000112.5I34 L35 V36I34-G38 PolarHBondContact O-N 3Å; L35-G38 PolarHBondContact O-N 3.34Å; V36-G38 VanDerWaalsContact C-N 3.3Å; V36-G38 PolarHBondContact O-N 2.85Å
39T87.1Confident85.8Confident70 Ų7046.6 Ų46.643%0.42927%0.267SS..Hα-helixtrans-68.4-45.2179.759.30000112.1L35 V36 S43L35-T39 HydrophobicContact CD2-CG2 4.24Å; L35-T39 PolarHBondContact O-N 3.03Å; V36-T39 PolarHBondContact O-N 2.74Å; V36-T39 PolarHBondContact O-OG1 3.47Å; V36-T39 VanDerWaalsContact O-OG1 3.11Å; T39-S43 WeakPolarHBondContact O-CB 3.45Å; T39-S43 PolarHBondContact O-N 2.92Å; T39-S43 VanDerWaalsContact O-N 3.1Å; T39-S43 PolarHBondContact O-OG 3.29Å
40A86.4Confident85.9Confident0 Ų049.5 Ų49.50%029%0.29CS..Hα-helixtrans-66.7-38.4-17800000112.9V36 E42 S43 S44 W45 I75 F187V36-A40 WeakPolarHBondContact O-CB 3.48Å; V36-A40 PolarHBondContact O-N 3.38Å; A40-E42 VanDerWaalsContact C-N 3.29Å; A40-E42 PolarHBondContact O-N 3.46Å; A40-S43 PolarHBondContact O-N 2.93Å; A40-S44 PolarHBondContact O-N 3.3Å; A40-W45 HydrophobicContact CB-CE3 3.99Å; A40-W45 HydrophobicContact CB-CZ3 3.86Å; A40-W45 PolarHBondContact O-N 3.48Å; A40-I75 HydrophobicContact CB-CD1 4.17Å; A40-F187 HydrophobicContact CB-CD1 3.87Å; A40-F187 HydrophobicContact CB-CD2 4.3Å; A40-F187 HydrophobicContact CB-CE1 3.98Å; A40-F187 HydrophobicContact CB-CE2 4.41Å; A40-F187 HydrophobicContact CB-CG 4.03Å; A40-F187 HydrophobicContact CB-CZ 4.25Å
41A82.9Confident86.1Confident35 Ų3551.8 Ų51.829%0.28930%0.303SS..Hα-helixtrans-59.2-41.4-178.600000111.9L37 G46 I75L37-A41 WeakPolarHBondContact O-CB 3.33Å; L37-A41 PolarHBondContact O-N 3.46Å; A41-G46 PolarHBondContact O-N 2.91Å; A41-I75 HydrophobicContact CB-CG2 4.08Å
42E77.6Confident86.4Confident174 Ų17448.4 Ų48.481%0.81329%0.285SS*.Hα-helixtrans-82.2-38.4179.1-65.7-175.3174.300112.4A40A40-E42 VanDerWaalsContact C-N 3.29Å; A40-E42 PolarHBondContact O-N 3.46Å
43S81.7Confident86.7Confident44 Ų4450 Ų5031%0.30830%0.296SS..Hα-helixtrans-79.3-38.5-172.363.80000114.8T39 A40 R180T39-S43 WeakPolarHBondContact O-CB 3.45Å; T39-S43 PolarHBondContact O-N 2.92Å; T39-S43 VanDerWaalsContact O-N 3.1Å; T39-S43 PolarHBondContact O-OG 3.29Å; A40-S43 PolarHBondContact O-N 2.93Å; S43-R180 PolarHBondContact O-NH1 3Å; S43-R180 VanDerWaalsContact O-NH1 3.11Å
44S83.7Confident86.9Confident0 Ų050.2 Ų50.20%030%0.298CS..THydrogen-bonded Turntrans-127.7-16.8-162.2-31.40000114.6A40 E183 K184 F187A40-S44 PolarHBondContact O-N 3.3Å; S44-E183 WeakPolarHBondContact CB-OE1 3.45Å; S44-E183 VanDerWaalsContact OG-CD 3.28Å; S44-E183 PolarHBondContact OG-OE1 3.46Å; S44-K184 WeakPolarHBondContact O-CE 3.26Å; S44-F187 WeakPolarHBondContact OG-CE2 3.2Å
45W87Confident87.2Confident21 Ų2154.4 Ų54.48%0.0832%0.321CS..SBendtrans-118-6.9-178-84.7-87000114.3A40 D47 E48 H74 I75 W78 K184 F187 I188A40-W45 HydrophobicContact CB-CE3 3.99Å; A40-W45 HydrophobicContact CB-CZ3 3.86Å; A40-W45 PolarHBondContact O-N 3.48Å; W45-D47 VanDerWaalsContact C-N 3.35Å; W45-D47 PolarHBondContact O-N 3.38Å; W45-E48 VanDerWaalsContact CD1-CD 3.5Å; W45-E48 VanDerWaalsContact CD1-OE2 3.24Å; W45-E48 PolarHBondContact NE1-OE1 2.97Å; W45-E48 PolarHBondContact O-N 2.93Å; W45-H74 HydrophobicContact CZ2-CB 3.88Å; W45-I75 HydrophobicContact CB-CD1 4.19Å; W45-I75 HydrophobicContact CB-CG1 3.52Å; W45-I75 HydrophobicContact CD2-CD1 3.58Å; W45-I75 HydrophobicContact CD2-CG1 3.71Å; W45-I75 HydrophobicContact CE3-CD1 3.49Å; W45-I75 VanDerWaalsContact CE3-CD1 3.49Å; W45-I75 HydrophobicContact CE3-CG1 4.11Å; W45-I75 HydrophobicContact CG-CD1 3.89Å; W45-I75 HydrophobicContact CG-CG1 3.44Å; W45-I75 VanDerWaalsContact CG-CG1 3.44Å; W45-I75 HydrophobicContact CZ3-CD1 4.13Å; W45-W78 AromaticContact CH2-CH2 3.57Å; W45-W78 HydrophobicContact CH2-CH2 3.57Å; W45-W78 AromaticContact CH2-CZ3 3.92Å; W45-W78 HydrophobicContact CH2-CZ3 3.92Å; W45-W78 AromaticContact CZ2-CH2 3.98Å; W45-W78 HydrophobicContact CZ2-CH2 3.98Å; W45-W78 HydrophobicContact CZ2-CZ3 4.37Å; W45-W78 HydrophobicContact CZ3-CH2 4.17Å; W45-W78 HydrophobicContact CZ3-CZ3 4.08Å; W45-K184 HydrophobicContact CD2-CG 4.38Å; W45-K184 HydrophobicContact CH2-CB 3.79Å; W45-K184 HydrophobicContact CH2-CG 3.82Å; W45-K184 HydrophobicContact CZ2-CB 3.74Å; W45-K184 HydrophobicContact CZ2-CD 4.07Å; W45-K184 HydrophobicContact CZ2-CG 3.65Å; W45-K184 HydrophobicContact CZ3-CG 4.25Å; W45-F187 HydrophobicContact CH2-CB 3.77Å; W45-F187 HydrophobicContact CH2-CD2 4.34Å; W45-F187 HydrophobicContact CH2-CG 4.43Å; W45-F187 HydrophobicContact CZ3-CB 3.81Å; W45-F187 AromaticContact CZ3-CD2 3.77Å; W45-F187 HydrophobicContact CZ3-CD2 3.77Å; W45-F187 AromaticContact CZ3-CG 4Å; W45-F187 HydrophobicContact CZ3-CG 4Å; W45-I188 HydrophobicContact CZ2-CG1 4.49Å
46G81.6Confident87.5Confident65 Ų6551.2 Ų51.267%0.6731%0.305SS*.THydrogen-bonded Turntrans-67.8-31.4-179.900000114.3A41A41-G46 PolarHBondContact O-N 2.91Å
47D82.9Confident87.8Confident31 Ų3160 Ų6017%0.16635%0.346CS..THydrogen-bonded Turntrans-106.711.6-178.554.8-6.5000112.7W45 Q49 S50 D51 R180W45-D47 VanDerWaalsContact C-N 3.35Å; W45-D47 PolarHBondContact O-N 3.38Å; D47-Q49 VanDerWaalsContact C-N 3.32Å; D47-Q49 PolarHBondContact O-N 3.44Å; D47-S50 PolarHBondContact O-N 3.03Å; D47-S50 PolarHBondContact O-OG 3.1Å; D47-D51 WeakPolarHBondContact O-CB 3.28Å; D47-D51 PolarHBondContact O-N 2.9Å; D47-R180 IonicContact OD2-CZ 3.12Å; D47-R180 IonicContact OD2-NE 3.94Å; D47-R180 IonicContact OD2-NH2 3.95Å; D47-R180 PolarHBondContact OD2-NH2 3.13Å
48E85.1Confident88.1Confident7 Ų763.2 Ų63.23%0.03336%0.36CS..THydrogen-bonded Turntrans-61.1-37.6-170.5169.8169.3-11200113.4W45 Y66 K184W45-E48 VanDerWaalsContact CD1-CD 3.5Å; W45-E48 VanDerWaalsContact CD1-OE2 3.24Å; W45-E48 PolarHBondContact NE1-OE1 2.97Å; W45-E48 PolarHBondContact O-N 2.93Å; E48-Y66 HydrophobicContact CG-CE2 3.75Å; E48-Y66 PolarHBondContact OE2-OH 3.3Å; E48-K184 VanDerWaalsContact CG-NZ 3.32Å; E48-K184 IonicContact OE1-NZ 3.54Å; E48-K184 PolarHBondContact OE1-NZ 2.94Å
49Q84.9Confident88.4Confident119 Ų11966 Ų6656%0.55637%0.371SS*.THydrogen-bonded Turntrans-82.2-33.6179.6-172.1175.2-2.300112.6D47 Y66D47-Q49 VanDerWaalsContact C-N 3.32Å; D47-Q49 PolarHBondContact O-N 3.44Å; Q49-Y66 HydrophobicContact CB-CE1 4.31Å; Q49-Y66 HydrophobicContact CB-CE2 4.44Å; Q49-Y66 HydrophobicContact CG-CD1 4.23Å; Q49-Y66 HydrophobicContact CG-CE1 4.16Å
50S87.3Confident88.8Confident85 Ų8564.3 Ų64.359%0.59437%0.367SS*.THydrogen-bonded Turntrans-72.2-33.5-179.752.50000112.5D47D47-S50 PolarHBondContact O-N 3.03Å; D47-S50 PolarHBondContact O-OG 3.1Å
51D90.7Very high89.2Confident69 Ų6964.3 Ų64.337%0.36937%0.367SS..SBendtrans-95.53.1-176.3-68.65.2000113D47 M53 S179D47-D51 WeakPolarHBondContact O-CB 3.28Å; D47-D51 PolarHBondContact O-N 2.9Å; D51-M53 PolarHBondContact O-N 3.31Å; D51-S179 WeakPolarHBondContact CB-OG 3.47Å; D51-S179 PolarHBondContact OD2-OG 3.01Å
52F92.8Very high89.8Confident6 Ų664.6 Ų64.63%0.02637%0.366CS..  trans-78.8107173.6-174.9-98.8000109.8C54 T62 C65 Y66 F70 C176F52-C54 WeakPolarHBondContact CE1-SG 3.43Å; F52-T62 HydrophobicContact CD1-CG2 3.74Å; F52-T62 HydrophobicContact CE1-CG2 4.31Å; F52-T62 WeakPolarHBondContact O-CG2 3.28Å; F52-C65 HydrophobicContact CE1-CB 4.02Å; F52-C65 HydrophobicContact CZ-CB 4.32Å; F52-Y66 HydrophobicContact CB-CD2 3.98Å; F52-Y66 HydrophobicContact CD1-CD2 4.07Å; F52-Y66 HydrophobicContact CD1-CG 4.38Å; F52-Y66 HydrophobicContact CD2-CD2 4.11Å; F52-Y66 AromaticContact CG-CD2 3.79Å; F52-Y66 HydrophobicContact CG-CD2 3.79Å; F52-F70 HydrophobicContact CE2-CE2 4.34Å; F52-C176 HydrophobicContact CE1-CB 3.9Å; F52-C176 HydrophobicContact CE2-CB 3.96Å; F52-C176 HydrophobicContact CZ-CB 3.39Å
53M93.9Very high90.6Very high120 Ų12061.2 Ų61.259%0.59135%0.353SS*.EExtended strand (participates in β ladder)trans-114.2128.1-172.6-71.1-63.3-58.800111.1D51 C176 Y177D51-M53 PolarHBondContact O-N 3.31Å; M53-C176 CarbonylContact O-C 3.54Å; M53-C176 WeakPolarHBondContact O-CA 3.38Å; M53-Y177 PolarHBondContact N-O 3.09Å; M53-Y177 PolarHBondContact O-N 3.48Å
54C95.8Very high91.3Very high11 Ų1161.2 Ų61.27%0.07435%0.351CS..EExtended strand (participates in β ladder)trans-110.5142.1172.8-60.20000110.6F52 T56 V174 N175 C176F52-C54 WeakPolarHBondContact CE1-SG 3.43Å; C54-T56 HydrophobicContact CB-CG2 3.87Å; C54-T56 PolarHBondContact O-N 3.31Å; C54-V174 HydrophobicContact CB-CG2 4.48Å; C54-N175 WeakPolarHBondContact CA-O 3.32Å; C54-C176 HydrophobicContact CB-CB 4.12Å; C54-C176 WeakPolarHBondContact CB-SG 3.12Å; C54-C176 WeakPolarHBondContact SG-CB 3.49Å; C54-C176 CovalentContact SG-SG 2.05Å; C54-C176 PolarHBondContact SG-SG 3.43Å
55D95.5Very high91.8Very high120 Ų12061.2 Ų61.264%0.64235%0.351SS*.SBendtrans-75.774.6175.7-170.612.6000110.7N175D55-N175 PolarHBondContact N-O 2.95Å
56T95.3Very high92.2Very high33 Ų3361.8 Ų61.820%0.20235%0.354CS..  trans-159.3145.4-177-1720000111.3C54 Q58 C61C54-T56 HydrophobicContact CB-CG2 3.87Å; C54-T56 PolarHBondContact O-N 3.31Å; T56-Q58 WeakPolarHBondContact OG1-CB 3.48Å; T56-Q58 PolarHBondContact OG1-N 3.03Å; T56-C61 HydrophobicContact CG2-CB 3.87Å
57Q94.7Very high92.7Very high193 Ų19363.9 Ų63.990%0.90235%0.349SS*.  trans-96.80.1170.7-62.3-67.2-3.800112.1P59Q57-P59 WeakPolarHBondContact O-CD 3.39Å
58Q95.1Very high93.2Very high81 Ų8165 Ų6538%0.37936%0.359SS..  trans-74.4120.3-177-178.563.633.400110.6T56 G60 C61 P169T56-Q58 WeakPolarHBondContact OG1-CB 3.48Å; T56-Q58 PolarHBondContact OG1-N 3.03Å; Q58-G60 PolarHBondContact O-N 3.32Å; Q58-C61 HydrophobicContact CB-CB 4.08Å; Q58-C61 HydrophobicContact CG-CB 4.22Å; Q58-C61 WeakPolarHBondContact O-CB 3.31Å; Q58-C61 PolarHBondContact O-N 3.21Å; Q58-P169 WeakPolarHBondContact CG-O 3.22Å
59P95.4Very high93.6Very high102 Ų10265.3 Ų65.366%0.66236%0.363SS*.THydrogen-bonded Turntrans-63.2138.717826-34.8000111.1Q57 C61Q57-P59 WeakPolarHBondContact O-CD 3.39Å; P59-C61 PolarHBondContact O-N 3.34Å
60G94.4Very high93.9Very high35 Ų3560.4 Ų60.436%0.36134%0.34SS..THydrogen-bonded Turntrans81.5-15.217900000115.5Q58 T62 N63 V64Q58-G60 PolarHBondContact O-N 3.32Å; G60-T62 PolarHBondContact O-N 2.91Å; G60-N63 PolarHBondContact O-N 3.29Å; G60-V64 PolarHBondContact O-N 3.48Å
61C95.9Very high94.1Very high0 Ų060.1 Ų60.10%034%0.336CS..Hα-helixtrans-60.6-45.6178.5176.20000111.6T56 Q58 P59 N63 V64 C65 C170T56-C61 HydrophobicContact CG2-CB 3.87Å; Q58-C61 HydrophobicContact CB-CB 4.08Å; Q58-C61 HydrophobicContact CG-CB 4.22Å; Q58-C61 WeakPolarHBondContact O-CB 3.31Å; Q58-C61 PolarHBondContact O-N 3.21Å; P59-C61 PolarHBondContact O-N 3.34Å; C61-N63 VanDerWaalsContact C-N 3.3Å; C61-N63 PolarHBondContact O-N 2.71Å; C61-V64 WeakPolarHBondContact O-CG2 3.39Å; C61-V64 PolarHBondContact O-N 3.02Å; C61-C65 WeakPolarHBondContact O-CB 3.43Å; C61-C65 PolarHBondContact O-N 3.12Å; C61-C65 PolarHBondContact O-SG 3.48Å; C61-C170 VanDerWaalsContact CA-SG 3.56Å; C61-C170 HydrophobicContact CB-CB 4.18Å; C61-C170 WeakPolarHBondContact CB-SG 3.42Å; C61-C170 WeakPolarHBondContact SG-CB 2.76Å; C61-C170 CovalentContact SG-SG 2.03Å; C61-C170 PolarHBondContact SG-SG 3.38Å
62T94.5Very high94.2Very high41 Ų4160.2 Ų60.225%0.25234%0.336SS..Hα-helixtrans-57-41.8176.2-51.50000112.8F52 G60 C65 Y66F52-T62 HydrophobicContact CD1-CG2 3.74Å; F52-T62 HydrophobicContact CE1-CG2 4.31Å; F52-T62 WeakPolarHBondContact O-CG2 3.28Å; G60-T62 PolarHBondContact O-N 2.91Å; T62-C65 PolarHBondContact O-N 3.49Å; T62-Y66 WeakPolarHBondContact O-CB 3.47Å; T62-Y66 PolarHBondContact O-N 3.2Å
63N94.4Very high94.1Very high103 Ų10360.6 Ų60.655%0.55134%0.341SS*.Hα-helixtrans-66.5-45.3-178.1-67.7-8.9000112G60 C61 Y66 D67G60-N63 PolarHBondContact O-N 3.29Å; C61-N63 VanDerWaalsContact C-N 3.3Å; C61-N63 PolarHBondContact O-N 2.71Å; N63-Y66 PolarHBondContact O-N 3.31Å; N63-D67 PolarHBondContact O-N 3.38Å; N63-D67 VanDerWaalsContact O-N 3.11Å
64V95.6Very high93.9Very high43 Ų4354.9 Ų54.926%0.26131%0.312SS..Hα-helixtrans-70.9-33.4179-59.20000111.9G60 C61 S68 T167 W168G60-V64 PolarHBondContact O-N 3.48Å; C61-V64 WeakPolarHBondContact O-CG2 3.39Å; C61-V64 PolarHBondContact O-N 3.02Å; V64-S68 WeakPolarHBondContact O-CB 3.47Å; V64-S68 PolarHBondContact O-N 3.04Å; V64-T167 HydrophobicContact CB-CG2 4.21Å; V64-T167 HydrophobicContact CG2-CG2 4.24Å; V64-W168 WeakPolarHBondContact CG2-O 3.47Å
65C95.6Very high93.7Very high0 Ų055.5 Ų55.50%032%0.315CS..Hα-helixtrans-70.2-36.8176.8-67.50000111.6F52 C61 T62 A69 C165 C170F52-C65 HydrophobicContact CE1-CB 4.02Å; F52-C65 HydrophobicContact CZ-CB 4.32Å; C61-C65 WeakPolarHBondContact O-CB 3.43Å; C61-C65 PolarHBondContact O-N 3.12Å; C61-C65 PolarHBondContact O-SG 3.48Å; T62-C65 PolarHBondContact O-N 3.49Å; C65-A69 VanDerWaalsContact O-CB 3.24Å; C65-A69 WeakPolarHBondContact O-CB 3.46Å; C65-A69 PolarHBondContact O-N 2.96Å; C65-C165 WeakPolarHBondContact CA-SG 3.34Å; C65-C165 HydrophobicContact CB-CB 3.65Å; C65-C165 WeakPolarHBondContact CB-SG 2.86Å; C65-C165 WeakPolarHBondContact SG-CB 3.33Å; C65-C165 CovalentContact SG-SG 2.02Å; C65-C165 PolarHBondContact SG-SG 3.44Å; C65-C170 PolarHBondContact SG-SG 3.02Å
66Y93.9Very high93.6Very high34 Ų3458.4 Ų58.413%0.13332%0.317CS..Hα-helixtrans-61.4-51172.8177.6-100.4000111.1E48 Q49 F52 T62 N63 S68 A69 F70E48-Y66 HydrophobicContact CG-CE2 3.75Å; E48-Y66 PolarHBondContact OE2-OH 3.3Å; Q49-Y66 HydrophobicContact CB-CE1 4.31Å; Q49-Y66 HydrophobicContact CB-CE2 4.44Å; Q49-Y66 HydrophobicContact CG-CD1 4.23Å; Q49-Y66 HydrophobicContact CG-CE1 4.16Å; F52-Y66 HydrophobicContact CB-CD2 3.98Å; F52-Y66 HydrophobicContact CD1-CD2 4.07Å; F52-Y66 HydrophobicContact CD1-CG 4.38Å; F52-Y66 HydrophobicContact CD2-CD2 4.11Å; F52-Y66 AromaticContact CG-CD2 3.79Å; F52-Y66 HydrophobicContact CG-CD2 3.79Å; T62-Y66 WeakPolarHBondContact O-CB 3.47Å; T62-Y66 PolarHBondContact O-N 3.2Å; N63-Y66 PolarHBondContact O-N 3.31Å; Y66-S68 VanDerWaalsContact C-N 3.32Å; Y66-S68 PolarHBondContact O-N 3.26Å; Y66-A69 PolarHBondContact O-N 3.06Å; Y66-F70 HydrophobicContact CD2-CD2 4.14Å; Y66-F70 HydrophobicContact CE2-CD2 4.01Å; Y66-F70 PolarHBondContact O-N 2.85Å
67D93.9Very high93.5Very high108 Ų10857.3 Ų57.358%0.57831%0.309SS*.Hα-helixtrans-61.5-40179.1-17168000112.2N63 F70 P71N63-D67 PolarHBondContact O-N 3.38Å; N63-D67 VanDerWaalsContact O-N 3.11Å; D67-F70 CarbonylContact O-C 3.35Å; D67-P71 WeakPolarHBondContact O-CA 3.39Å
68S93.6Very high93.5Very high54 Ų5448.1 Ų48.138%0.37827%0.266SS..Hα-helixtrans-68.4-33.3176.2-1750000113.3V64 Y66 Y163V64-S68 WeakPolarHBondContact O-CB 3.47Å; V64-S68 PolarHBondContact O-N 3.04Å; Y66-S68 VanDerWaalsContact C-N 3.32Å; Y66-S68 PolarHBondContact O-N 3.26Å; S68-Y163 PolarHBondContact O-OH 2.91Å; S68-Y163 PolarHBondContact OG-OH 2.95Å
69A91.8Very high93.4Very high14 Ų1447.2 Ų47.212%0.11627%0.266CS..Hα-helixtrans-80.2-36.3177.900000112.2C65 Y66 Y163C65-A69 VanDerWaalsContact O-CB 3.24Å; C65-A69 WeakPolarHBondContact O-CB 3.46Å; C65-A69 PolarHBondContact O-N 2.96Å; Y66-A69 PolarHBondContact O-N 3.06Å; A69-Y163 HydrophobicContact CB-CD1 3.83Å; A69-Y163 HydrophobicContact CB-CD2 3.99Å; A69-Y163 HydrophobicContact CB-CE1 3.79Å; A69-Y163 HydrophobicContact CB-CE2 3.95Å; A69-Y163 HydrophobicContact CB-CG 3.92Å
70F91.9Very high93.3Very high16 Ų1646.1 Ų46.17%0.0725%0.254CS..  trans-129.773.9-176.8-57.6-69.2000111F52 Y66 D67 I72 H74 Y155 L159 M178F52-F70 HydrophobicContact CE2-CE2 4.34Å; Y66-F70 HydrophobicContact CD2-CD2 4.14Å; Y66-F70 HydrophobicContact CE2-CD2 4.01Å; Y66-F70 PolarHBondContact O-N 2.85Å; D67-F70 CarbonylContact O-C 3.35Å; F70-I72 PolarHBondContact O-N 2.96Å; F70-I72 VanDerWaalsContact O-N 3.13Å; F70-H74 AromaticContact CD1-CE1 4Å; F70-Y155 HydrophobicContact CD1-CE1 4.42Å; F70-L159 HydrophobicContact CE1-CD1 3.98Å; F70-L159 HydrophobicContact CZ-CD1 4.45Å; F70-M178 HydrophobicContact CD2-CE 4.31Å; F70-M178 HydrophobicContact CE1-CE 3.65Å; F70-M178 HydrophobicContact CE1-SD 4.4Å; F70-M178 HydrophobicContact CE2-CE 3.23Å; F70-M178 HydrophobicContact CE2-SD 3.94Å; F70-M178 HydrophobicContact CZ-CE 2.89Å; F70-M178 HydrophobicContact CZ-SD 3.42Å; F70-M178 WeakPolarHBondContact CZ-SD 3.33Å
71P91.9Very high93.3Very high79 Ų7944.6 Ų44.651%0.51324%0.237SC..SBendtrans-59.7-29.3179.123.8-34.1000112D67 I154D67-P71 WeakPolarHBondContact O-CA 3.39Å; P71-I154 HydrophobicContact CG-CG2 4.41Å
72I92.4Very high93.1Very high71 Ų7145.3 Ų45.336%0.36424%0.241SC..SBendtrans-133.9132.6169-59.3175.9000107.8F70 R76 Y155F70-I72 PolarHBondContact O-N 2.96Å; F70-I72 VanDerWaalsContact O-N 3.13Å; I72-R76 HydrophobicContact CG2-CB 4.08Å; I72-Y155 PolarHBondContact O-OH 3.24Å
73A90.4Very high93Very high15 Ų1547.1 Ų47.112%0.12425%0.252CS..  trans-64.3140.7173.100000111.1I75 R76 Y77A73-I75 VanDerWaalsContact C-N 3.29Å; A73-I75 PolarHBondContact O-N 2.94Å; A73-R76 HydrophobicContact CB-CG 4.18Å; A73-R76 WeakPolarHBondContact O-CB 3.3Å; A73-R76 PolarHBondContact O-N 3.37Å; A73-Y77 PolarHBondContact O-N 3.4Å
74H90.9Very high93Very high0 Ų046.8 Ų46.80%025%0.246CC..Hα-helixtrans-55.4-41.3-177.8-7278.6000113W45 F70 R76 Y77 W78 Y155W45-H74 HydrophobicContact CZ2-CB 3.88Å; F70-H74 AromaticContact CD1-CE1 4Å; H74-R76 VanDerWaalsContact C-N 3.34Å; H74-R76 PolarHBondContact O-N 3.33Å; H74-Y77 WeakPolarHBondContact O-CB 3.22Å; H74-Y77 PolarHBondContact O-N 3.08Å; H74-W78 HydrophobicContact CB-CH2 4.31Å; H74-W78 HydrophobicContact CB-CZ2 4.21Å; H74-W78 PolarHBondContact O-N 3.02Å; H74-Y155 AromaticContact CE1-CD1 3.46Å; H74-Y155 VanDerWaalsContact CE1-CD1 3.46Å; H74-Y155 WeakPolarHBondContact CE1-CD1 3.41Å; H74-Y155 AromaticContact CE1-CE1 3.86Å; H74-Y155 AromaticContact CE1-CG 3.81Å; H74-Y155 AromaticContact NE2-CD1 3.49Å; H74-Y155 WeakPolarHBondContact NE2-CD1 3.15Å; H74-Y155 AromaticContact NE2-CD2 3.8Å; H74-Y155 AromaticContact NE2-CG 3.31Å; H74-Y155 VanDerWaalsContact NE2-CG 3.31Å
75I90.9Very high92.8Very high24 Ų2444.8 Ų44.812%0.12323%0.234CC..Hα-helixtrans-58.5-46176-58.5-52.1000111.2L37 A40 A41 W45 A73 Y77 W78 V79L37-I75 HydrophobicContact CD1-CB 4.47Å; L37-I75 HydrophobicContact CD1-CD1 4.29Å; L37-I75 HydrophobicContact CD1-CG2 3.78Å; L37-I75 HydrophobicContact CG-CG2 4.47Å; A40-I75 HydrophobicContact CB-CD1 4.17Å; A41-I75 HydrophobicContact CB-CG2 4.08Å; W45-I75 HydrophobicContact CB-CD1 4.19Å; W45-I75 HydrophobicContact CB-CG1 3.52Å; W45-I75 HydrophobicContact CD2-CD1 3.58Å; W45-I75 HydrophobicContact CD2-CG1 3.71Å; W45-I75 HydrophobicContact CE3-CD1 3.49Å; W45-I75 VanDerWaalsContact CE3-CD1 3.49Å; W45-I75 HydrophobicContact CE3-CG1 4.11Å; W45-I75 HydrophobicContact CG-CD1 3.89Å; W45-I75 HydrophobicContact CG-CG1 3.44Å; W45-I75 VanDerWaalsContact CG-CG1 3.44Å; W45-I75 HydrophobicContact CZ3-CD1 4.13Å; A73-I75 VanDerWaalsContact C-N 3.29Å; A73-I75 PolarHBondContact O-N 2.94Å; I75-Y77 VanDerWaalsContact C-N 3.3Å; I75-Y77 PolarHBondContact O-N 2.98Å; I75-W78 HydrophobicContact CD1-CE3 3.73Å; I75-W78 HydrophobicContact CD1-CZ3 3.58Å; I75-W78 PolarHBondContact O-N 3.49Å; I75-V79 WeakPolarHBondContact O-CG2 3.39Å; I75-V79 PolarHBondContact O-N 2.97Å
76R92.4Very high92.4Very high181 Ų18145.7 Ų45.768%0.68324%0.24SC*.Hα-helixtrans-64.6-38.7179.1-63.6-179.3-177.1174.82.5111I72 A73 H74 V79 L80I72-R76 HydrophobicContact CG2-CB 4.08Å; A73-R76 HydrophobicContact CB-CG 4.18Å; A73-R76 WeakPolarHBondContact O-CB 3.3Å; A73-R76 PolarHBondContact O-N 3.37Å; H74-R76 VanDerWaalsContact C-N 3.34Å; H74-R76 PolarHBondContact O-N 3.33Å; R76-V79 PolarHBondContact O-N 3.25Å; R76-L80 WeakPolarHBondContact O-CG 3.45Å; R76-L80 PolarHBondContact O-N 2.97Å; R76-L80 VanDerWaalsContact O-N 3.1Å
77Y94.2Very high92.2Very high9 Ų946.7 Ų46.74%0.03525%0.249CC..Hα-helixtrans-60.3-46.5174.3-176.2-93.9000112A73 H74 I75 L80 Q81 F147 V150 Q151A73-Y77 PolarHBondContact O-N 3.4Å; H74-Y77 WeakPolarHBondContact O-CB 3.22Å; H74-Y77 PolarHBondContact O-N 3.08Å; I75-Y77 VanDerWaalsContact C-N 3.3Å; I75-Y77 PolarHBondContact O-N 2.98Å; Y77-L80 PolarHBondContact O-N 2.87Å; Y77-Q81 PolarHBondContact O-N 3.01Å; Y77-F147 HydrophobicContact CE1-CD1 4.11Å; Y77-F147 HydrophobicContact CE2-CD1 4.01Å; Y77-F147 HydrophobicContact CE2-CE1 4.41Å; Y77-F147 AromaticContact CZ-CD1 3.63Å; Y77-F147 VanDerWaalsContact OH-C 3.3Å; Y77-F147 VanDerWaalsContact OH-CA 3.3Å; Y77-F147 WeakPolarHBondContact OH-CA 3.47Å; Y77-F147 WeakPolarHBondContact OH-CD1 3.44Å; Y77-F147 PolarHBondContact OH-O 2.98Å; Y77-V150 HydrophobicContact CE2-CG1 3.93Å; Y77-V150 WeakPolarHBondContact OH-CB 3.34Å; Y77-Q151 HydrophobicContact CE1-CB 3.72Å; Y77-Q151 HydrophobicContact CE1-CG 4.18Å; Y77-Q151 PolarHBondContact OH-N 3.46Å; Y77-Q151 VanDerWaalsContact OH-N 3.15Å
78W94.2Very high92Very high0 Ų041.9 Ų41.90%022%0.224CC..Hα-helixtrans-66.5-36.5177.7-63.7-30.8000113.2L37 W45 H74 I75 L80 Q81 I82 F187 I188 M191L37-W78 HydrophobicContact CD1-CB 3.84Å; L37-W78 HydrophobicContact CD1-CE3 3.99Å; W45-W78 AromaticContact CH2-CH2 3.57Å; W45-W78 HydrophobicContact CH2-CH2 3.57Å; W45-W78 AromaticContact CH2-CZ3 3.92Å; W45-W78 HydrophobicContact CH2-CZ3 3.92Å; W45-W78 AromaticContact CZ2-CH2 3.98Å; W45-W78 HydrophobicContact CZ2-CH2 3.98Å; W45-W78 HydrophobicContact CZ2-CZ3 4.37Å; W45-W78 HydrophobicContact CZ3-CH2 4.17Å; W45-W78 HydrophobicContact CZ3-CZ3 4.08Å; H74-W78 HydrophobicContact CB-CH2 4.31Å; H74-W78 HydrophobicContact CB-CZ2 4.21Å; H74-W78 PolarHBondContact O-N 3.02Å; I75-W78 HydrophobicContact CD1-CE3 3.73Å; I75-W78 HydrophobicContact CD1-CZ3 3.58Å; I75-W78 PolarHBondContact O-N 3.49Å; W78-L80 VanDerWaalsContact C-N 3.33Å; W78-L80 PolarHBondContact O-N 3.35Å; W78-Q81 PolarHBondContact O-N 2.94Å; W78-I82 WeakPolarHBondContact O-CB 3.38Å; W78-I82 VanDerWaalsContact O-CG1 3.24Å; W78-I82 WeakPolarHBondContact O-CG1 3.46Å; W78-I82 PolarHBondContact O-N 3.25Å; W78-F187 HydrophobicContact CH2-CB 4.11Å; W78-I188 HydrophobicContact CH2-CG1 4.08Å; W78-I188 HydrophobicContact CZ2-CB 4.4Å; W78-I188 HydrophobicContact CZ2-CG1 3.82Å; W78-M191 HydrophobicContact CB-CE 3.91Å; W78-M191 HydrophobicContact CD2-CE 3.81Å; W78-M191 HydrophobicContact CD2-CG 4.12Å; W78-M191 HydrophobicContact CE3-CE 3.93Å; W78-M191 HydrophobicContact CE3-CG 4.27Å; W78-M191 HydrophobicContact CG-CE 3.8Å; W78-M191 HydrophobicContact CH2-CG 4.2Å; W78-M191 HydrophobicContact CZ2-CB 4.13Å; W78-M191 HydrophobicContact CZ2-CG 4.05Å; W78-M191 HydrophobicContact CZ3-CG 4.3Å
79V93.5Very high91.6Very high63 Ų6341 Ų4138%0.38222%0.218SC..Hα-helixtrans-56.3-50.3171.1173.20000110.1L37 I75 R76 Q81 I82 V83L37-V79 HydrophobicContact CD1-CG2 4.43Å; L37-V79 HydrophobicContact CD2-CG2 3.69Å; I75-V79 WeakPolarHBondContact O-CG2 3.39Å; I75-V79 PolarHBondContact O-N 2.97Å; R76-V79 PolarHBondContact O-N 3.25Å; V79-Q81 PolarHBondContact O-N 3.33Å; V79-I82 PolarHBondContact O-N 3.5Å; V79-V83 WeakPolarHBondContact O-CG2 3.35Å; V79-V83 PolarHBondContact O-N 3.16Å
80L93.8Very high91.2Very high79 Ų7944.8 Ų44.841%0.41424%0.236SC..Hα-helixtrans-61-45.9178.8-68.2172.2000111.2R76 Y77 W78 I82 V83 F84 F147R76-L80 WeakPolarHBondContact O-CG 3.45Å; R76-L80 PolarHBondContact O-N 2.97Å; R76-L80 VanDerWaalsContact O-N 3.1Å; Y77-L80 PolarHBondContact O-N 2.87Å; W78-L80 VanDerWaalsContact C-N 3.33Å; W78-L80 PolarHBondContact O-N 3.35Å; L80-I82 PolarHBondContact O-N 2.97Å; L80-V83 PolarHBondContact O-N 2.85Å; L80-F84 HydrophobicContact CB-CD2 4.45Å; L80-F84 HydrophobicContact CD2-CE2 4.39Å; L80-F84 VanDerWaalsContact O-CD2 3.25Å; L80-F84 WeakPolarHBondContact O-CD2 3.45Å; L80-F84 PolarHBondContact O-N 3.14Å; L80-F147 HydrophobicContact CB-CE1 4.41Å
81Q94.6Very high91.1Very high2 Ų249.6 Ų49.61%0.00926%0.261CS..Hα-helixtrans-55-50.2176.5-178-174.92.300111.5Y77 W78 V79 V83 F84 V85 E144 F147 S195Y77-Q81 PolarHBondContact O-N 3.01Å; W78-Q81 PolarHBondContact O-N 2.94Å; V79-Q81 PolarHBondContact O-N 3.33Å; Q81-V83 PolarHBondContact O-N 3.41Å; Q81-F84 PolarHBondContact O-N 3.25Å; Q81-V85 HydrophobicContact CG-CG2 4.18Å; Q81-V85 WeakPolarHBondContact O-CB 3.28Å; Q81-V85 WeakPolarHBondContact O-CG2 3.29Å; Q81-V85 PolarHBondContact O-N 3.48Å; Q81-E144 PolarHBondContact NE2-OE1 3.27Å; Q81-F147 HydrophobicContact CB-CB 4.36Å; Q81-F147 HydrophobicContact CB-CD1 3.77Å; Q81-F147 HydrophobicContact CB-CD2 4.4Å; Q81-F147 HydrophobicContact CB-CE1 4.16Å; Q81-F147 HydrophobicContact CB-CG 3.94Å; Q81-F147 HydrophobicContact CG-CB 3.77Å; Q81-F147 HydrophobicContact CG-CD1 4.13Å; Q81-F147 HydrophobicContact CG-CD2 4.16Å; Q81-F147 HydrophobicContact CG-CG 3.77Å; Q81-S195 PolarHBondContact NE2-OG 3.33Å
82I91.4Very high90.8Very high15 Ų1547.4 Ų47.48%0.07724%0.243CC..Hα-helixtrans-58.1-46.7179-73.9169.3000110.8F30 R33 I34 L37 W78 V79 L80 S86F30-I82 HydrophobicContact CD2-CG2 4.42Å; F30-I82 HydrophobicContact CE2-CB 4.26Å; F30-I82 HydrophobicContact CE2-CG2 3.33Å; F30-I82 HydrophobicContact CZ-CG2 3.61Å; R33-I82 HydrophobicContact CB-CD1 3.99Å; R33-I82 HydrophobicContact CB-CG1 4.33Å; I34-I82 HydrophobicContact CG1-CG2 4.46Å; L37-I82 HydrophobicContact CD2-CD1 4.03Å; W78-I82 WeakPolarHBondContact O-CB 3.38Å; W78-I82 VanDerWaalsContact O-CG1 3.24Å; W78-I82 WeakPolarHBondContact O-CG1 3.46Å; W78-I82 PolarHBondContact O-N 3.25Å; V79-I82 PolarHBondContact O-N 3.5Å; L80-I82 PolarHBondContact O-N 2.97Å; I82-S86 VanDerWaalsContact O-CB 3.27Å; I82-S86 WeakPolarHBondContact O-CB 3.26Å; I82-S86 PolarHBondContact O-N 3.41Å; I82-S86 VanDerWaalsContact O-N 3.08Å; I82-S86 PolarHBondContact O-OG 3.41Å
83V91.4Very high90.2Very high79 Ų7946.4 Ų46.448%0.47924%0.237SC..Hα-helixtrans-62.9-51.9-179.9170.20000111.3V79 L80 Q81 S86 T87V79-V83 WeakPolarHBondContact O-CG2 3.35Å; V79-V83 PolarHBondContact O-N 3.16Å; L80-V83 PolarHBondContact O-N 2.85Å; Q81-V83 PolarHBondContact O-N 3.41Å; V83-S86 PolarHBondContact O-N 3.26Å; V83-T87 PolarHBondContact O-N 3.03Å; V83-T87 PolarHBondContact O-OG1 3.1Å
84F93.9Very high89.9Confident97 Ų9747.5 Ų47.543%0.42525%0.25SS..Hα-helixtrans-65.3-43-177.5-83-73.8000112.1L80 Q81 S86 T87 P88 M143 F147L80-F84 HydrophobicContact CB-CD2 4.45Å; L80-F84 HydrophobicContact CD2-CE2 4.39Å; L80-F84 VanDerWaalsContact O-CD2 3.25Å; L80-F84 WeakPolarHBondContact O-CD2 3.45Å; L80-F84 PolarHBondContact O-N 3.14Å; Q81-F84 PolarHBondContact O-N 3.25Å; F84-S86 VanDerWaalsContact C-N 3.32Å; F84-S86 PolarHBondContact O-N 3.15Å; F84-T87 PolarHBondContact O-N 2.91Å; F84-P88 WeakPolarHBondContact O-CD 3.44Å; F84-M143 HydrophobicContact CB-SD 4.01Å; F84-M143 HydrophobicContact CD1-CE 4.36Å; F84-M143 HydrophobicContact CD1-SD 4.39Å; F84-F147 HydrophobicContact CB-CE2 3.6Å; F84-F147 HydrophobicContact CB-CZ 3.96Å; F84-F147 HydrophobicContact CD2-CE2 4.2Å; F84-F147 AromaticContact CD2-CZ 3.66Å; F84-F147 HydrophobicContact CD2-CZ 3.66Å; F84-F147 HydrophobicContact CG-CE2 4.11Å; F84-F147 HydrophobicContact CG-CZ 4.05Å
85V91.3Very high89.6Confident1 Ų151 Ų511%0.00627%0.267CS..Hα-helixtrans-66.1-33.5179.61680000112.2Q81 R140 E144Q81-V85 HydrophobicContact CG-CG2 4.18Å; Q81-V85 WeakPolarHBondContact O-CB 3.28Å; Q81-V85 WeakPolarHBondContact O-CG2 3.29Å; Q81-V85 PolarHBondContact O-N 3.48Å; V85-R140 HydrophobicContact CG1-CG 4.02Å; V85-E144 WeakPolarHBondContact CG1-OE2 3.47Å; V85-E144 HydrophobicContact CG2-CB 4.5Å; V85-E144 WeakPolarHBondContact CG2-OE2 3.29Å
86S88.3Confident89.2Confident18 Ų1850.7 Ų50.713%0.12627%0.267CS..Hα-helixtrans-82.2-25.9179.7-710000114.1F30 I82 V83 F84 S89 L90F30-S86 WeakPolarHBondContact CD2-OG 3.28Å; F30-S86 WeakPolarHBondContact CE2-OG 3.35Å; F30-S86 VanDerWaalsContact CZ-OG 3.22Å; F30-S86 WeakPolarHBondContact CZ-OG 3.42Å; I82-S86 VanDerWaalsContact O-CB 3.27Å; I82-S86 WeakPolarHBondContact O-CB 3.26Å; I82-S86 PolarHBondContact O-N 3.41Å; I82-S86 VanDerWaalsContact O-N 3.08Å; I82-S86 PolarHBondContact O-OG 3.41Å; V83-S86 PolarHBondContact O-N 3.26Å; F84-S86 VanDerWaalsContact C-N 3.32Å; F84-S86 PolarHBondContact O-N 3.15Å; S86-S89 WeakPolarHBondContact O-CB 3.34Å; S86-S89 PolarHBondContact O-N 2.93Å; S86-S89 VanDerWaalsContact O-N 3.09Å; S86-L90 PolarHBondContact O-N 2.96Å; S86-L90 VanDerWaalsContact O-N 3.09Å
87T89.9Confident88.6Confident55 Ų5545.5 Ų45.534%0.33725%0.252SS..Hα-helixtrans-55.2-47-176.9-64.40000113.5V83 F84 S89 L90 I91V83-T87 PolarHBondContact O-N 3.03Å; V83-T87 PolarHBondContact O-OG1 3.1Å; F84-T87 PolarHBondContact O-N 2.91Å; T87-S89 VanDerWaalsContact C-N 3.28Å; T87-S89 PolarHBondContact O-N 3.44Å; T87-L90 PolarHBondContact O-N 3.28Å; T87-I91 HydrophobicContact CG2-CD1 3.77Å; T87-I91 HydrophobicContact CG2-CG1 4.35Å; T87-I91 WeakPolarHBondContact O-CG1 3.36Å; T87-I91 PolarHBondContact O-N 2.84Å
88P89.8Confident88.1Confident8 Ų850.6 Ų50.65%0.05228%0.275CS..Hα-helixtrans-58.5-37.8176.5-25.833.9000113.7F84 I91 Y92 I139 R140 M143F84-P88 WeakPolarHBondContact O-CD 3.44Å; P88-I91 PolarHBondContact O-N 3.23Å; P88-Y92 WeakPolarHBondContact O-CB 3.46Å; P88-Y92 PolarHBondContact O-N 2.89Å; P88-I139 HydrophobicContact CB-CB 4.44Å; P88-I139 HydrophobicContact CB-CG2 4.35Å; P88-I139 HydrophobicContact CG-CB 4.25Å; P88-I139 HydrophobicContact CG-CG2 3.68Å; P88-R140 HydrophobicContact CB-CB 4.45Å; P88-R140 HydrophobicContact CG-CB 4.46Å; P88-M143 HydrophobicContact CG-SD 4.27Å
89S84.4Confident87.5Confident36 Ų3651.4 Ų51.425%0.25228%0.281SS..Hα-helixtrans-67.6-41.7179-52.60000111S86 T87 Y92 M93S86-S89 WeakPolarHBondContact O-CB 3.34Å; S86-S89 PolarHBondContact O-N 2.93Å; S86-S89 VanDerWaalsContact O-N 3.09Å; T87-S89 VanDerWaalsContact C-N 3.28Å; T87-S89 PolarHBondContact O-N 3.44Å; S89-Y92 PolarHBondContact O-N 3.31Å; S89-M93 WeakPolarHBondContact O-CG 3.25Å; S89-M93 PolarHBondContact O-N 2.83Å
90L84.6Confident86.8Confident93 Ų9350.6 Ų50.649%0.48728%0.276SS..Hα-helixtrans-64.7-42.8176.2-67.2175.7000111.9F10 S86 T87 Y92 M93 G94F10-L90 HydrophobicContact CD1-CD2 4.25Å; S86-L90 PolarHBondContact O-N 2.96Å; S86-L90 VanDerWaalsContact O-N 3.09Å; T87-L90 PolarHBondContact O-N 3.28Å; L90-Y92 VanDerWaalsContact C-N 3.34Å; L90-Y92 PolarHBondContact O-N 3.43Å; L90-M93 PolarHBondContact O-N 3.46Å; L90-G94 PolarHBondContact O-N 2.96Å
91I88.3Confident86.3Confident116 Ų11654.6 Ų54.660%0.59529%0.285SS*.Hα-helixtrans-61.1-44.8176.1-67.6168.6000110.5T87 P88 G94 H95T87-I91 HydrophobicContact CG2-CD1 3.77Å; T87-I91 HydrophobicContact CG2-CG1 4.35Å; T87-I91 WeakPolarHBondContact O-CG1 3.36Å; T87-I91 PolarHBondContact O-N 2.84Å; P88-I91 PolarHBondContact O-N 3.23Å; I91-G94 PolarHBondContact O-N 3.27Å; I91-H95 WeakPolarHBondContact O-CB 3.49Å; I91-H95 PolarHBondContact O-N 2.94Å
92Y85.4Confident85.7Confident34 Ų3457.7 Ų57.713%0.13330%0.302CS..Hα-helixtrans-61.1-46.9176.2166.3-103.7000112P88 S89 L90 G94 H95 A96 Y133P88-Y92 WeakPolarHBondContact O-CB 3.46Å; P88-Y92 PolarHBondContact O-N 2.89Å; S89-Y92 PolarHBondContact O-N 3.31Å; L90-Y92 VanDerWaalsContact C-N 3.34Å; L90-Y92 PolarHBondContact O-N 3.43Å; Y92-G94 PolarHBondContact O-N 3.41Å; Y92-H95 PolarHBondContact O-N 3.46Å; Y92-A96 HydrophobicContact CE2-CB 4.49Å; Y92-A96 WeakPolarHBondContact O-CB 3.38Å; Y92-A96 PolarHBondContact O-N 3.43Å; Y92-Y133 HydrophobicContact CD1-CD2 4.12Å; Y92-Y133 HydrophobicContact CD2-CD2 4.28Å; Y92-Y133 AromaticContact CE1-CD2 3.75Å; Y92-Y133 HydrophobicContact CE1-CD2 3.75Å; Y92-Y133 HydrophobicContact CE1-CE2 4.31Å; Y92-Y133 VanDerWaalsContact CE2-CB 3.43Å; Y92-Y133 AromaticContact CE2-CD2 3.95Å; Y92-Y133 HydrophobicContact CE2-CD2 3.95Å; Y92-Y133 HydrophobicContact CE2-CG 4.07Å; Y92-Y133 HydrophobicContact CG-CD2 4.36Å; Y92-Y133 AromaticContact CZ-CD2 3.65Å
93M80.8Confident85.1Confident49 Ų4959.4 Ų59.424%0.24131%0.311CS..Hα-helixtrans-60.6-44.7177.7-73.9-60.9-64.700111.5A14 S89 L90 H95 A96 M97A14-M93 HydrophobicContact CB-CE 4.43Å; S89-M93 WeakPolarHBondContact O-CG 3.25Å; S89-M93 PolarHBondContact O-N 2.83Å; L90-M93 PolarHBondContact O-N 3.46Å; M93-H95 PolarHBondContact O-N 2.86Å; M93-A96 PolarHBondContact O-N 3.04Å; M93-M97 HydrophobicContact CE-CE 4.04Å; M93-M97 WeakPolarHBondContact O-CB 3.36Å; M93-M97 VanDerWaalsContact O-CG 3.29Å; M93-M97 WeakPolarHBondContact O-CG 3.4Å; M93-M97 PolarHBondContact O-N 2.94Å
94G83.4Confident84.6Confident39 Ų3959.2 Ų59.240%0.40231%0.305SS..Hα-helixtrans-59.7-44.5175.100000112.7L90 I91 Y92 H98L90-G94 PolarHBondContact O-N 2.96Å; I91-G94 PolarHBondContact O-N 3.27Å; Y92-G94 PolarHBondContact O-N 3.41Å; G94-H98 WeakPolarHBondContact O-CB 3.46Å; G94-H98 PolarHBondContact O-N 3.11Å
95H84.4Confident84.1Confident74 Ų7459.7 Ų59.734%0.34331%0.307SS..Hα-helixtrans-62.9-43175.1178.5-83.1000112I91 Y92 M93 T99I91-H95 WeakPolarHBondContact O-CB 3.49Å; I91-H95 PolarHBondContact O-N 2.94Å; Y92-H95 PolarHBondContact O-N 3.46Å; M93-H95 PolarHBondContact O-N 2.86Å; H95-T99 PolarHBondContact CE1-OG1 3.21Å; H95-T99 VanDerWaalsContact O-CB 3.29Å; H95-T99 WeakPolarHBondContact O-CB 3.29Å; H95-T99 PolarHBondContact O-N 2.98Å; H95-T99 PolarHBondContact O-OG1 2.78Å
96A82.5Confident83.6Confident16 Ų1664.3 Ų64.313%0.13233%0.328CS..Hα-helixtrans-64.4-47.8178.500000111.6Y92 M93 T99 V100 L129Y92-A96 HydrophobicContact CE2-CB 4.49Å; Y92-A96 WeakPolarHBondContact O-CB 3.38Å; Y92-A96 PolarHBondContact O-N 3.43Å; M93-A96 PolarHBondContact O-N 3.04Å; A96-T99 PolarHBondContact O-N 2.96Å; A96-V100 VanDerWaalsContact O-CG2 3.28Å; A96-V100 WeakPolarHBondContact O-CG2 3.41Å; A96-V100 PolarHBondContact O-N 3.14Å; A96-L129 HydrophobicContact CB-CD2 3.97Å
97M81.3Confident83.1Confident72 Ų7269.4 Ų69.436%0.35535%0.348SS..Hα-helixtrans-59.6-46.6176.1-73.1174.2168.600111.7E13 M93 T99 V100 R101E13-M97 HydrophobicContact CG-CE 4.37Å; M93-M97 HydrophobicContact CE-CE 4.04Å; M93-M97 WeakPolarHBondContact O-CB 3.36Å; M93-M97 VanDerWaalsContact O-CG 3.29Å; M93-M97 WeakPolarHBondContact O-CG 3.4Å; M93-M97 PolarHBondContact O-N 2.94Å; M97-T99 VanDerWaalsContact C-N 3.34Å; M97-T99 PolarHBondContact O-N 2.95Å; M97-V100 PolarHBondContact O-N 2.84Å; M97-R101 WeakPolarHBondContact O-CG 3.47Å; M97-R101 PolarHBondContact O-N 3.04Å
98H83.1Confident82.5Confident116 Ų11673 Ų7354%0.53736%0.361SS..Hα-helixtrans-58.8-47176.2-174-75.1000111.5G94 V100 R101 D102G94-H98 WeakPolarHBondContact O-CB 3.46Å; G94-H98 PolarHBondContact O-N 3.11Å; H98-V100 VanDerWaalsContact C-N 3.34Å; H98-V100 PolarHBondContact O-N 3.35Å; H98-R101 PolarHBondContact O-N 3.39Å; H98-D102 IonicContact CE1-OD2 3.43Å; H98-D102 PolarHBondContact CE1-OD2 3.47Å; H98-D102 IonicContact ND1-OD2 3.02Å; H98-D102 PolarHBondContact ND1-OD2 3.42Å; H98-D102 PolarHBondContact O-N 3.12Å
99T81.5Confident81.9Confident18 Ų1879.5 Ų79.511%0.1139%0.389CS..Hα-helixtrans-62.1-41.2179.3-590000111.9H95 A96 M97 D102 L103 L125 L129H95-T99 PolarHBondContact CE1-OG1 3.21Å; H95-T99 VanDerWaalsContact O-CB 3.29Å; H95-T99 WeakPolarHBondContact O-CB 3.29Å; H95-T99 PolarHBondContact O-N 2.98Å; H95-T99 PolarHBondContact O-OG1 2.78Å; A96-T99 PolarHBondContact O-N 2.96Å; M97-T99 VanDerWaalsContact C-N 3.34Å; M97-T99 PolarHBondContact O-N 2.95Å; T99-D102 PolarHBondContact O-N 3.31Å; T99-L103 WeakPolarHBondContact O-CG 3.28Å; T99-L103 PolarHBondContact O-N 3.43Å; T99-L103 VanDerWaalsContact O-N 3.12Å; T99-L125 HydrophobicContact CG2-CD1 3.87Å; T99-L125 HydrophobicContact CG2-CD2 3.38Å; T99-L125 HydrophobicContact CG2-CG 3.74Å; T99-L129 HydrophobicContact CG2-CD1 3.85Å; T99-L129 HydrophobicContact CG2-CD2 4.23Å; T99-L129 HydrophobicContact CG2-CG 4.13Å
100V79.3Confident81.2Confident46 Ų4681.7 Ų81.728%0.27939%0.394SS..Hα-helixtrans-66-41.5177.2169.90000111.2A96 M97 H98 D102 L103 Q104 I311A96-V100 VanDerWaalsContact O-CG2 3.28Å; A96-V100 WeakPolarHBondContact O-CG2 3.41Å; A96-V100 PolarHBondContact O-N 3.14Å; M97-V100 PolarHBondContact O-N 2.84Å; H98-V100 VanDerWaalsContact C-N 3.34Å; H98-V100 PolarHBondContact O-N 3.35Å; V100-D102 PolarHBondContact O-N 2.94Å; V100-L103 WeakPolarHBondContact O-CB 3.25Å; V100-L103 PolarHBondContact O-N 2.67Å; V100-Q104 WeakPolarHBondContact O-CG 3.48Å; V100-Q104 PolarHBondContact O-N 3.4Å; V100-I311 HydrophobicContact CG2-CD1 4.37Å
101R83.7Confident80.4Confident162 Ų16284.2 Ų84.261%0.61140%0.403SS*.Hα-helixtrans-62.3-41.6176.8-74.3-179.466.8121.55.7112.4M97 H98 L103 Q104 K105M97-R101 WeakPolarHBondContact O-CG 3.47Å; M97-R101 PolarHBondContact O-N 3.04Å; H98-R101 PolarHBondContact O-N 3.39Å; R101-L103 VanDerWaalsContact C-N 3.35Å; R101-Q104 PolarHBondContact O-N 3.06Å; R101-K105 PolarHBondContact O-N 2.64Å
102D81.7Confident79.1Confident67 Ų6786 Ų8636%0.35841%0.409SS..Hα-helixtrans-66.6-38.9177.6-70.8-22.9000111.8H98 T99 V100 Q104 K105 E106H98-D102 IonicContact CE1-OD2 3.43Å; H98-D102 PolarHBondContact CE1-OD2 3.47Å; H98-D102 IonicContact ND1-OD2 3.02Å; H98-D102 PolarHBondContact ND1-OD2 3.42Å; H98-D102 PolarHBondContact O-N 3.12Å; T99-D102 PolarHBondContact O-N 3.31Å; V100-D102 PolarHBondContact O-N 2.94Å; D102-Q104 VanDerWaalsContact C-N 3.35Å; D102-Q104 PolarHBondContact O-N 3.4Å; D102-K105 PolarHBondContact O-N 2.96Å; D102-K105 IonicContact OD1-NZ 2.76Å; D102-E106 PolarHBondContact O-N 3.3Å
103L78.8Confident77.7Confident51 Ų5191.6 Ų91.627%0.26743%0.434SS..Hα-helixtrans-64-36.5172.4-76.8179.3000113.9T99 V100 R101 E106 K107 L125T99-L103 WeakPolarHBondContact O-CG 3.28Å; T99-L103 PolarHBondContact O-N 3.43Å; T99-L103 VanDerWaalsContact O-N 3.12Å; V100-L103 WeakPolarHBondContact O-CB 3.25Å; V100-L103 PolarHBondContact O-N 2.67Å; R101-L103 VanDerWaalsContact C-N 3.35Å; L103-E106 PolarHBondContact O-N 3.21Å; L103-K107 WeakPolarHBondContact O-CB 3.23Å; L103-K107 VanDerWaalsContact O-CG 3.28Å; L103-K107 WeakPolarHBondContact O-CG 3.48Å; L103-K107 PolarHBondContact O-N 3.47Å; L103-L125 HydrophobicContact CD1-CD2 3.03Å; L103-L125 HydrophobicContact CD2-CD2 3.61Å; L103-L125 HydrophobicContact CG-CD2 3.37Å
104Q80.9Confident76.3Confident76 Ų7696.5 Ų96.536%0.35545%0.454SS..Hα-helixtrans-61.9-47.3176.8-78.2172-23.200110.1V100 R101 D102 E106 K107 E108V100-Q104 WeakPolarHBondContact O-CG 3.48Å; V100-Q104 PolarHBondContact O-N 3.4Å; R101-Q104 PolarHBondContact O-N 3.06Å; D102-Q104 VanDerWaalsContact C-N 3.35Å; D102-Q104 PolarHBondContact O-N 3.4Å; Q104-E106 PolarHBondContact O-N 2.97Å; Q104-K107 PolarHBondContact O-N 3.38Å; Q104-E108 WeakPolarHBondContact O-CG 3.37Å; Q104-E108 PolarHBondContact O-N 2.98Å
105K83.4Confident74.8Confident106 Ų106100.8 Ų100.846%0.46147%0.473SS..Hα-helixtrans-58-48.1174.1-65.2172.6-174164.60111.6R101 D102 K107 E108 F109R101-K105 PolarHBondContact O-N 2.64Å; D102-K105 PolarHBondContact O-N 2.96Å; D102-K105 IonicContact OD1-NZ 2.76Å; K105-K107 VanDerWaalsContact C-N 3.3Å; K105-K107 PolarHBondContact O-N 3.48Å; K105-E108 WeakPolarHBondContact O-CB 3.34Å; K105-E108 PolarHBondContact O-N 3.35Å; K105-F109 WeakPolarHBondContact O-CD2 3.29Å; K105-F109 PolarHBondContact O-N 3.2Å
106E79.9Confident73.3Confident99 Ų99101.4 Ų101.446%0.46349%0.491SS..Hα-helixtrans-62-39.5-179.1-159.2-172.2-179.500111.6D102 L103 Q104 F109 F110D102-E106 PolarHBondContact O-N 3.3Å; L103-E106 PolarHBondContact O-N 3.21Å; Q104-E106 PolarHBondContact O-N 2.97Å; E106-F109 PolarHBondContact O-N 3Å; E106-F110 HydrophobicContact CG-CD2 3.76Å; E106-F110 HydrophobicContact CG-CE2 3.46Å; E106-F110 VanDerWaalsContact CG-CE2 3.46Å; E106-F110 HydrophobicContact CG-CZ 4.49Å; E106-F110 WeakPolarHBondContact O-CB 3.39Å; E106-F110 WeakPolarHBondContact O-CD2 3Å; E106-F110 PolarHBondContact O-N 3.44Å; E106-F110 VanDerWaalsContact OE1-CE2 3.24Å; E106-F110 WeakPolarHBondContact OE1-CE2 3.35Å
107K77.3Confident71.5Confident124 Ų124103.8 Ų103.854%0.53951%0.51SS..Hα-helixtrans-63.9-43.1173.5-76.6175.8-176.5176.70112.2L103 Q104 K105 F109 F110 Q111L103-K107 WeakPolarHBondContact O-CB 3.23Å; L103-K107 VanDerWaalsContact O-CG 3.28Å; L103-K107 WeakPolarHBondContact O-CG 3.48Å; L103-K107 PolarHBondContact O-N 3.47Å; Q104-K107 PolarHBondContact O-N 3.38Å; K105-K107 VanDerWaalsContact C-N 3.3Å; K105-K107 PolarHBondContact O-N 3.48Å; K107-F109 VanDerWaalsContact C-N 3.33Å; K107-F109 PolarHBondContact O-N 3.14Å; K107-F110 CarbonylContact O-C 3.57Å; K107-F110 PolarHBondContact O-N 3.12Å; K107-Q111 WeakPolarHBondContact O-CB 3.49Å; K107-Q111 PolarHBondContact O-N 2.88Å
108E79.4Confident69.9Low130 Ų130109.9 Ų109.961%0.60754%0.538SS*.Hα-helixtrans-58.7-45.3175.3-71.3169.2-175.400111Q104 K105 Q111 Q112Q104-E108 WeakPolarHBondContact O-CG 3.37Å; Q104-E108 PolarHBondContact O-N 2.98Å; K105-E108 WeakPolarHBondContact O-CB 3.34Å; K105-E108 PolarHBondContact O-N 3.35Å; E108-Q111 PolarHBondContact O-N 3.43Å; E108-Q112 WeakPolarHBondContact O-CB 3.43Å; E108-Q112 PolarHBondContact O-N 3.48Å
109F75.3Confident68.4Low146 Ų146107.6 Ų107.664%0.6455%0.546SS*.Hα-helixtrans-62.4-44.4173.9-77.8-69.3000112.6K105 E106 K107 Q111 Q112 K113K105-F109 WeakPolarHBondContact O-CD2 3.29Å; K105-F109 PolarHBondContact O-N 3.2Å; E106-F109 PolarHBondContact O-N 3Å; K107-F109 VanDerWaalsContact C-N 3.33Å; K107-F109 PolarHBondContact O-N 3.14Å; F109-Q111 VanDerWaalsContact C-N 3.35Å; F109-Q112 PolarHBondContact O-N 3.31Å; F109-K113 WeakPolarHBondContact O-CB 3.34Å; F109-K113 PolarHBondContact O-N 2.94Å
110F70.8Confident66.7Low82 Ų82113.8 Ų113.836%0.3658%0.576SS.*Hα-helixtrans-69.8-29.3177.1-80-58.9000113.2E106 K107 Q112 K113 K114E106-F110 HydrophobicContact CG-CD2 3.76Å; E106-F110 HydrophobicContact CG-CE2 3.46Å; E106-F110 VanDerWaalsContact CG-CE2 3.46Å; E106-F110 HydrophobicContact CG-CZ 4.49Å; E106-F110 WeakPolarHBondContact O-CB 3.39Å; E106-F110 WeakPolarHBondContact O-CD2 3Å; E106-F110 PolarHBondContact O-N 3.44Å; E106-F110 VanDerWaalsContact OE1-CE2 3.24Å; E106-F110 WeakPolarHBondContact OE1-CE2 3.35Å; K107-F110 CarbonylContact O-C 3.57Å; K107-F110 PolarHBondContact O-N 3.12Å; F110-Q112 VanDerWaalsContact C-N 3.35Å; F110-K113 CarbonylContact O-C 3.48Å; F110-K113 PolarHBondContact O-N 3.45Å; F110-K114 WeakPolarHBondContact O-CA 3.43Å; F110-K114 WeakPolarHBondContact O-CB 3.39Å; F110-K114 WeakPolarHBondContact O-CG 3.36Å; F110-K114 PolarHBondContact O-N 2.84Å
111Q66.7Low65Low145 Ų145114.4 Ų114.468%0.67859%0.593SS**Hα-helixtrans-72.7-34.5176.7-155.1161.4-0.700110.3K107 E108 F109 K113K107-Q111 WeakPolarHBondContact O-CB 3.49Å; K107-Q111 PolarHBondContact O-N 2.88Å; E108-Q111 PolarHBondContact O-N 3.43Å; F109-Q111 VanDerWaalsContact C-N 3.35Å; Q111-K113 VanDerWaalsContact C-N 3.31Å
112Q61.3Low63.1Low155 Ų155117.7 Ų117.772%0.72461%0.605SS**Hα-helixtrans-69.1-27.1169-156.8172.451.900112.9E108 F109 F110 T115E108-Q112 WeakPolarHBondContact O-CB 3.43Å; E108-Q112 PolarHBondContact O-N 3.48Å; F109-Q112 PolarHBondContact O-N 3.31Å; F110-Q112 VanDerWaalsContact C-N 3.35Å; Q112-T115 PolarHBondContact O-OG1 2.81Å; Q112-T115 VanDerWaalsContact O-OG1 3.05Å
113K57.4Low61.6Low150 Ų150120.4 Ų120.465%0.65262%0.623SS**Hα-helixtrans-95.6-19.1179.2-144176.6-174-179.90114.3F109 F110 Q111 T115 A116 A117F109-K113 WeakPolarHBondContact O-CB 3.34Å; F109-K113 PolarHBondContact O-N 2.94Å; F110-K113 CarbonylContact O-C 3.48Å; F110-K113 PolarHBondContact O-N 3.45Å; Q111-K113 VanDerWaalsContact C-N 3.31Å; K113-T115 PolarHBondContact O-N 2.79Å; K113-A116 WeakPolarHBondContact O-CA 3.41Å; K113-A116 WeakPolarHBondContact O-CB 3.38Å; K113-A116 PolarHBondContact O-N 3.4Å; K113-A117 PolarHBondContact O-N 3.44Å
114K50.3Low60.1Low153 Ų153128.7 Ų128.767%0.66565%0.651SS**THydrogen-bonded Turntrans-72.5-12.6178.4-102.1-174.2171.6-1720113.5F110 A116F110-K114 WeakPolarHBondContact O-CA 3.43Å; F110-K114 WeakPolarHBondContact O-CB 3.39Å; F110-K114 WeakPolarHBondContact O-CG 3.36Å; F110-K114 PolarHBondContact O-N 2.84Å; K114-A116 PolarHBondContact O-N 3.31Å
115T52.4Low58.6Low129 Ų129128.1 Ų128.179%0.79165%0.65SS**THydrogen-bonded Turntrans-65-8.516043.90000112.7Q112 K113Q112-T115 PolarHBondContact O-OG1 2.81Å; Q112-T115 VanDerWaalsContact O-OG1 3.05Å; K113-T115 PolarHBondContact O-N 2.79Å
116A51.7Low57.6Low87 Ų87130.1 Ų130.172%0.71966%0.659SS**THydrogen-bonded Turntrans-128.5-14.4-177.200000116.7K113 K114K113-A116 WeakPolarHBondContact O-CA 3.41Å; K113-A116 WeakPolarHBondContact O-CB 3.38Å; K113-A116 PolarHBondContact O-N 3.4Å; K114-A116 PolarHBondContact O-N 3.31Å
117A46.5Very low57.1Low66 Ų66127.5 Ų127.555%0.54566%0.659SS.*  trans-157.4115.5177.700000113.7K113K113-A117 PolarHBondContact O-N 3.44Å
118E46.1Very low57Low199 Ų199124.1 Ų124.193%0.9365%0.654SS**  trans-72.4130.2165.2-103.9179.3148.100110.6
119G52.6Low57Low68 Ų68119.6 Ų119.670%0.70163%0.634SS**  trans100.876.8161.600000116
120I45.3Very low57.2Low148 Ų148115.9 Ų115.976%0.75962%0.62SS**  trans-134.7126.2154.8-60.9-178.1000108.9
121G44.7Very low57.8Low60 Ų60118.1 Ų118.162%0.61963%0.631SS**  trans-70.1148.1-16400000115.9V123G121-V123 PolarHBondContact O-N 3.45Å
122R43Very low58.7Low231 Ų231113 Ų11387%0.87261%0.61SS**  trans-74.9102.9167.2-72.2176.5171.4167.2-1.9108.9
123V49.2Very low59.8Low123 Ų123106.9 Ų106.975%0.74558%0.581SS**  trans-124.3130.7-178.1-166.60000111.7G121 L125G121-V123 PolarHBondContact O-N 3.45Å; V123-L125 PolarHBondContact O-N 3.48Å
124R47.9Very low61.3Low225 Ų225102.1 Ų102.185%0.84956%0.562SS**SBendtrans81-17.9156.4-125.7173.5176166.8-2.5122.3K126 G127R124-K126 PolarHBondContact O-N 3.16Å; R124-G127 PolarHBondContact O-N 2.71Å
125L50.4Low63.2Low65 Ų6598.7 Ų98.734%0.3455%0.55SS.*Hα-helixtrans-67.9-33-171.8-151.681.8000114.9T99 L103 V123 G127 A128 L129T99-L125 HydrophobicContact CG2-CD1 3.87Å; T99-L125 HydrophobicContact CG2-CD2 3.38Å; T99-L125 HydrophobicContact CG2-CG 3.74Å; L103-L125 HydrophobicContact CD1-CD2 3.03Å; L103-L125 HydrophobicContact CD2-CD2 3.61Å; L103-L125 HydrophobicContact CG-CD2 3.37Å; V123-L125 PolarHBondContact O-N 3.48Å; L125-G127 PolarHBondContact O-N 3.31Å; L125-G127 VanDerWaalsContact O-N 3.14Å; L125-A128 PolarHBondContact O-N 2.91Å; L125-L129 HydrophobicContact CD2-CD1 4.05Å; L125-L129 HydrophobicContact CG-CD1 4.09Å; L125-L129 PolarHBondContact O-N 2.94Å
126K61.5Low64.9Low147 Ų14793.1 Ų93.164%0.63952%0.517SS*.Hα-helixtrans-57-29.2176.4-77.9-176.3169.8-179.10112.5R124 L130 E306R124-K126 PolarHBondContact O-N 3.16Å; K126-L130 VanDerWaalsContact O-CB 3.28Å; K126-L130 WeakPolarHBondContact O-CB 3.26Å; K126-L130 PolarHBondContact O-N 2.87Å; K126-E306 IonicContact NZ-OE2 3.27Å; K126-E306 PolarHBondContact NZ-OE2 3.14Å
127G70.3Confident66.8Low44 Ų4489.4 Ų89.445%0.45448%0.484SS..Hα-helixtrans-78.5-42-178.800000113.7R124 L125 L130 H131R124-G127 PolarHBondContact O-N 2.71Å; L125-G127 PolarHBondContact O-N 3.31Å; L125-G127 VanDerWaalsContact O-N 3.14Å; G127-L130 PolarHBondContact O-N 3.44Å; G127-H131 WeakPolarHBondContact O-CB 3.48Å; G127-H131 PolarHBondContact O-N 2.73Å
128A74.9Confident69Low53 Ų5390.2 Ų90.244%0.43848%0.479SS..Hα-helixtrans-66.4-44.2179.300000111.5L125 L130 H131 T132L125-A128 PolarHBondContact O-N 2.91Å; A128-L130 PolarHBondContact O-N 2.97Å; A128-H131 PolarHBondContact O-N 3.5Å; A128-T132 PolarHBondContact O-N 3.32Å; A128-T132 PolarHBondContact O-OG1 3.31Å
129L78.9Confident71.2Confident35 Ų3584 Ų8418%0.18345%0.452CS..Hα-helixtrans-61.1-41.9174.4-79.5154.6000112.4A96 T99 L125 H131 T132 Y133A96-L129 HydrophobicContact CB-CD2 3.97Å; T99-L129 HydrophobicContact CG2-CD1 3.85Å; T99-L129 HydrophobicContact CG2-CD2 4.23Å; T99-L129 HydrophobicContact CG2-CG 4.13Å; L125-L129 HydrophobicContact CD2-CD1 4.05Å; L125-L129 HydrophobicContact CG-CD1 4.09Å; L125-L129 PolarHBondContact O-N 2.94Å; L129-H131 VanDerWaalsContact C-N 3.34Å; L129-T132 PolarHBondContact O-OG1 3.23Å; L129-T132 VanDerWaalsContact O-OG1 3.1Å; L129-Y133 VanDerWaalsContact O-CB 3.26Å; L129-Y133 WeakPolarHBondContact O-CB 3.42Å; L129-Y133 PolarHBondContact O-N 3.43Å
130L79.6Confident73.1Confident69 Ų6982.1 Ų82.136%0.36142%0.424SS..Hα-helixtrans-65.9-37.9176.5-174.470.1000111.7K126 G127 A128 Y133 I134K126-L130 VanDerWaalsContact O-CB 3.28Å; K126-L130 WeakPolarHBondContact O-CB 3.26Å; K126-L130 PolarHBondContact O-N 2.87Å; G127-L130 PolarHBondContact O-N 3.44Å; A128-L130 PolarHBondContact O-N 2.97Å; L130-Y133 HydrophobicContact CD1-CD1 4.4Å; L130-Y133 WeakPolarHBondContact O-CB 3.48Å; L130-Y133 PolarHBondContact O-N 2.97Å; L130-I134 HydrophobicContact CD1-CD1 4.47Å; L130-I134 HydrophobicContact CG-CD1 4.02Å; L130-I134 VanDerWaalsContact O-CG1 3.29Å; L130-I134 WeakPolarHBondContact O-CG1 3.43Å; L130-I134 PolarHBondContact O-N 3.02Å
131H83.3Confident75.4Confident128 Ų12875.9 Ų75.959%0.59339%0.392SS*.Hα-helixtrans-67.9-46.1178.9-174-90.8000111.9G127 A128 L129 Y133 I134 L135G127-H131 WeakPolarHBondContact O-CB 3.48Å; G127-H131 PolarHBondContact O-N 2.73Å; A128-H131 PolarHBondContact O-N 3.5Å; L129-H131 VanDerWaalsContact C-N 3.34Å; H131-Y133 VanDerWaalsContact C-N 3.26Å; H131-Y133 PolarHBondContact O-N 3.33Å; H131-I134 PolarHBondContact O-N 3.43Å; H131-L135 WeakPolarHBondContact O-CB 3.27Å; H131-L135 PolarHBondContact O-N 3.49Å
132T85.7Confident77.9Confident38 Ų3877 Ų7723%0.23339%0.387CS..Hα-helixtrans-64.2-35176.554.60000111.6A128 L129 S136A128-T132 PolarHBondContact O-N 3.32Å; A128-T132 PolarHBondContact O-OG1 3.31Å; L129-T132 PolarHBondContact O-OG1 3.23Å; L129-T132 VanDerWaalsContact O-OG1 3.1Å; T132-S136 WeakPolarHBondContact O-CB 2.99Å; T132-S136 PolarHBondContact O-N 3.45Å
133Y84.8Confident80.4Confident26 Ų2668.7 Ų68.710%0.10236%0.359CS..Hα-helixtrans-62.2-51.4172.2-179.9-127.2000113K23 Y92 L129 L130 H131 L135 S136 I137 E205 L209K23-Y133 WeakPolarHBondContact CE-OH 3.38Å; Y92-Y133 HydrophobicContact CD1-CD2 4.12Å; Y92-Y133 HydrophobicContact CD2-CD2 4.28Å; Y92-Y133 AromaticContact CE1-CD2 3.75Å; Y92-Y133 HydrophobicContact CE1-CD2 3.75Å; Y92-Y133 HydrophobicContact CE1-CE2 4.31Å; Y92-Y133 VanDerWaalsContact CE2-CB 3.43Å; Y92-Y133 AromaticContact CE2-CD2 3.95Å; Y92-Y133 HydrophobicContact CE2-CD2 3.95Å; Y92-Y133 HydrophobicContact CE2-CG 4.07Å; Y92-Y133 HydrophobicContact CG-CD2 4.36Å; Y92-Y133 AromaticContact CZ-CD2 3.65Å; L129-Y133 VanDerWaalsContact O-CB 3.26Å; L129-Y133 WeakPolarHBondContact O-CB 3.42Å; L129-Y133 PolarHBondContact O-N 3.43Å; L130-Y133 HydrophobicContact CD1-CD1 4.4Å; L130-Y133 WeakPolarHBondContact O-CB 3.48Å; L130-Y133 PolarHBondContact O-N 2.97Å; H131-Y133 VanDerWaalsContact C-N 3.26Å; H131-Y133 PolarHBondContact O-N 3.33Å; Y133-L135 VanDerWaalsContact C-N 3.31Å; Y133-L135 PolarHBondContact O-N 2.45Å; Y133-S136 WeakPolarHBondContact O-CB 3.25Å; Y133-S136 PolarHBondContact O-N 3.37Å; Y133-S136 VanDerWaalsContact O-N 3.12Å; Y133-S136 PolarHBondContact O-OG 2.92Å; Y133-I137 HydrophobicContact CD1-CD1 4.15Å; Y133-I137 HydrophobicContact CD2-CD1 4.1Å; Y133-I137 HydrophobicContact CD2-CG1 4.47Å; Y133-I137 HydrophobicContact CE1-CD1 3.81Å; Y133-I137 HydrophobicContact CE2-CD1 3.7Å; Y133-I137 HydrophobicContact CE2-CG1 4.24Å; Y133-I137 HydrophobicContact CG-CD1 4.33Å; Y133-I137 PolarHBondContact O-N 3.41Å; Y133-E205 VanDerWaalsContact CZ-OE1 3.31Å; Y133-E205 PolarHBondContact OH-OE1 2.99Å; Y133-L209 HydrophobicContact CD1-CD1 3.98Å; Y133-L209 HydrophobicContact CE1-CD1 3.41Å; Y133-L209 VanDerWaalsContact CE1-CD1 3.41Å; Y133-L209 HydrophobicContact CE1-CD2 4.22Å; Y133-L209 HydrophobicContact CE1-CG 4.45Å
134I87.6Confident82.6Confident50 Ų5062.9 Ų62.926%0.25632%0.323SS..Hα-helixtrans-60.3-43.3178.4-69.6166.9000110.5L130 H131 S136 I137 L138 L206L130-I134 HydrophobicContact CD1-CD1 4.47Å; L130-I134 HydrophobicContact CG-CD1 4.02Å; L130-I134 VanDerWaalsContact O-CG1 3.29Å; L130-I134 WeakPolarHBondContact O-CG1 3.43Å; L130-I134 PolarHBondContact O-N 3.02Å; H131-I134 PolarHBondContact O-N 3.43Å; I134-S136 VanDerWaalsContact C-N 3.31Å; I134-S136 PolarHBondContact O-N 3.36Å; I134-I137 PolarHBondContact O-N 2.86Å; I134-L138 WeakPolarHBondContact O-CB 3.06Å; I134-L138 PolarHBondContact O-N 2.95Å; I134-L206 HydrophobicContact CG2-CD1 4.14Å
135L90.1Very high85Confident82 Ų8255 Ų5543%0.42930%0.3SS..Hα-helixtrans-60.5-41176.4-177.962.6000111.6H131 Y133 L138 I139H131-L135 WeakPolarHBondContact O-CB 3.27Å; H131-L135 PolarHBondContact O-N 3.49Å; Y133-L135 VanDerWaalsContact C-N 3.31Å; Y133-L135 PolarHBondContact O-N 2.45Å; L135-L138 PolarHBondContact O-N 3.45Å; L135-I139 HydrophobicContact CD1-CD1 4.02Å; L135-I139 HydrophobicContact CD1-CG1 4.25Å; L135-I139 HydrophobicContact CG-CD1 3.86Å; L135-I139 HydrophobicContact CG-CG1 4.48Å; L135-I139 VanDerWaalsContact O-CG1 3.28Å; L135-I139 WeakPolarHBondContact O-CG1 3.43Å; L135-I139 PolarHBondContact O-N 2.7Å
136S89.9Confident87.2Confident12 Ų1255.4 Ų55.48%0.08431%0.305CS..Hα-helixtrans-62.8-42.9177.877.90000112.4T132 Y133 I134 R140T132-S136 WeakPolarHBondContact O-CB 2.99Å; T132-S136 PolarHBondContact O-N 3.45Å; Y133-S136 WeakPolarHBondContact O-CB 3.25Å; Y133-S136 PolarHBondContact O-N 3.37Å; Y133-S136 VanDerWaalsContact O-N 3.12Å; Y133-S136 PolarHBondContact O-OG 2.92Å; I134-S136 VanDerWaalsContact C-N 3.31Å; I134-S136 PolarHBondContact O-N 3.36Å; S136-R140 VanDerWaalsContact O-CB 3.27Å; S136-R140 WeakPolarHBondContact O-CB 3.24Å; S136-R140 PolarHBondContact O-N 3.05Å
137I90.1Very high88.9Confident8 Ų849.9 Ų49.94%0.04128%0.282CS..Hα-helixtrans-65.9-41.5177.4-66.1166.9000110.3Y133 I134 R140 T141 E205 L206 L209Y133-I137 HydrophobicContact CD1-CD1 4.15Å; Y133-I137 HydrophobicContact CD2-CD1 4.1Å; Y133-I137 HydrophobicContact CD2-CG1 4.47Å; Y133-I137 HydrophobicContact CE1-CD1 3.81Å; Y133-I137 HydrophobicContact CE2-CD1 3.7Å; Y133-I137 HydrophobicContact CE2-CG1 4.24Å; Y133-I137 HydrophobicContact CG-CD1 4.33Å; Y133-I137 PolarHBondContact O-N 3.41Å; I134-I137 PolarHBondContact O-N 2.86Å; I137-R140 PolarHBondContact O-N 3.41Å; I137-T141 WeakPolarHBondContact O-CB 3.07Å; I137-T141 PolarHBondContact O-N 3.09Å; I137-T141 PolarHBondContact O-OG1 3.24Å; I137-E205 HydrophobicContact CD1-CG 3.96Å; I137-L206 HydrophobicContact CG2-CB 4.08Å; I137-L206 HydrophobicContact CG2-CD1 4.45Å; I137-L209 HydrophobicContact CD1-CD1 3.77Å
138L92.2Very high90.1Very high84 Ų8449.4 Ų49.444%0.4427%0.268SS..Hα-helixtrans-61.9-50.8178.2-178.269000111.2I134 L135 R140 T141 V142I134-L138 WeakPolarHBondContact O-CB 3.06Å; I134-L138 PolarHBondContact O-N 2.95Å; L135-L138 PolarHBondContact O-N 3.45Å; L138-R140 VanDerWaalsContact C-N 3.32Å; L138-R140 PolarHBondContact O-N 2.93Å; L138-T141 PolarHBondContact O-N 3.09Å; L138-V142 WeakPolarHBondContact O-CG2 3.44Å; L138-V142 PolarHBondContact O-N 3.26Å
139I94.2Very high91.1Very high68 Ų6850.3 Ų50.335%0.34927%0.268SS..Hα-helixtrans-60-45.5178.4-65.9167.7000110.1P88 L135 T141 V142 M143P88-I139 HydrophobicContact CB-CB 4.44Å; P88-I139 HydrophobicContact CB-CG2 4.35Å; P88-I139 HydrophobicContact CG-CB 4.25Å; P88-I139 HydrophobicContact CG-CG2 3.68Å; L135-I139 HydrophobicContact CD1-CD1 4.02Å; L135-I139 HydrophobicContact CD1-CG1 4.25Å; L135-I139 HydrophobicContact CG-CD1 3.86Å; L135-I139 HydrophobicContact CG-CG1 4.48Å; L135-I139 VanDerWaalsContact O-CG1 3.28Å; L135-I139 WeakPolarHBondContact O-CG1 3.43Å; L135-I139 PolarHBondContact O-N 2.7Å; I139-T141 VanDerWaalsContact C-N 3.35Å; I139-T141 PolarHBondContact O-N 3.08Å; I139-V142 PolarHBondContact O-N 3.15Å; I139-M143 HydrophobicContact CG2-CE 3.78Å; I139-M143 HydrophobicContact CG2-CG 4.42Å; I139-M143 HydrophobicContact CG2-SD 4.19Å; I139-M143 WeakPolarHBondContact O-CG 3.34Å; I139-M143 PolarHBondContact O-N 3.42Å
140R92.5Very high91.9Very high29 Ų2951.1 Ų51.111%0.10927%0.274CS..Hα-helixtrans-56.9-47.2176.2-179.7-179179.81682.8112V85 P88 S136 I137 L138 V142 M143 E144V85-R140 HydrophobicContact CG1-CG 4.02Å; P88-R140 HydrophobicContact CB-CB 4.45Å; P88-R140 HydrophobicContact CG-CB 4.46Å; S136-R140 VanDerWaalsContact O-CB 3.27Å; S136-R140 WeakPolarHBondContact O-CB 3.24Å; S136-R140 PolarHBondContact O-N 3.05Å; I137-R140 PolarHBondContact O-N 3.41Å; L138-R140 VanDerWaalsContact C-N 3.32Å; L138-R140 PolarHBondContact O-N 2.93Å; R140-V142 PolarHBondContact O-N 3.23Å; R140-M143 PolarHBondContact O-N 3.16Å; R140-E144 WeakPolarHBondContact O-CB 3.34Å; R140-E144 PolarHBondContact O-N 3.39Å
141T93.6Very high92.6Very high17 Ų1748 Ų4810%0.10426%0.258CS..Hα-helixtrans-61.4-45.3179.7-57.60000110.9I137 L138 I139 E144 V145 L199 V203I137-T141 WeakPolarHBondContact O-CB 3.07Å; I137-T141 PolarHBondContact O-N 3.09Å; I137-T141 PolarHBondContact O-OG1 3.24Å; L138-T141 PolarHBondContact O-N 3.09Å; I139-T141 VanDerWaalsContact C-N 3.35Å; I139-T141 PolarHBondContact O-N 3.08Å; T141-E144 PolarHBondContact O-N 2.88Å; T141-V145 VanDerWaalsContact O-CG2 3.29Å; T141-V145 WeakPolarHBondContact O-CG2 3.29Å; T141-V145 PolarHBondContact O-N 3.35Å; T141-L199 HydrophobicContact CG2-CD1 3.65Å; T141-V203 HydrophobicContact CG2-CG2 4.01Å
142V96.4Very high93.1Very high83 Ų8348.3 Ų48.350%0.50326%0.255SS..Hα-helixtrans-62.5-44.2177.2171.50000111.2L138 I139 R140 T146L138-V142 WeakPolarHBondContact O-CG2 3.44Å; L138-V142 PolarHBondContact O-N 3.26Å; I139-V142 PolarHBondContact O-N 3.15Å; R140-V142 PolarHBondContact O-N 3.23Å; V142-T146 WeakPolarHBondContact O-CB 3.22Å; V142-T146 PolarHBondContact O-N 3.29Å; V142-T146 PolarHBondContact O-OG1 3.46Å
143M95.9Very high93.5Very high56 Ų5652.6 Ų52.628%0.27628%0.276SS..Hα-helixtrans-62.1-48.8176.3-72.5-173.9177.100111.3F84 P88 I139 R140 V145 T146 F147F84-M143 HydrophobicContact CB-SD 4.01Å; F84-M143 HydrophobicContact CD1-CE 4.36Å; F84-M143 HydrophobicContact CD1-SD 4.39Å; P88-M143 HydrophobicContact CG-SD 4.27Å; I139-M143 HydrophobicContact CG2-CE 3.78Å; I139-M143 HydrophobicContact CG2-CG 4.42Å; I139-M143 HydrophobicContact CG2-SD 4.19Å; I139-M143 WeakPolarHBondContact O-CG 3.34Å; I139-M143 PolarHBondContact O-N 3.42Å; R140-M143 PolarHBondContact O-N 3.16Å; M143-V145 PolarHBondContact O-N 3.49Å; M143-T146 WeakPolarHBondContact O-CB 3.35Å; M143-T146 PolarHBondContact O-N 2.94Å; M143-T146 VanDerWaalsContact O-N 3.1Å; M143-F147 VanDerWaalsContact O-CD2 3.24Å; M143-F147 WeakPolarHBondContact O-CD2 3.28Å; M143-F147 PolarHBondContact O-N 3.1Å
144E95.7Very high93.9Very high1 Ų155.5 Ų55.51%0.00529%0.292CS..Hα-helixtrans-57.8-46.4179.2-164.978.6-158.600111.5R33 Q81 V85 R140 T141 T146 F147 I148 S195 S198 L199R33-E144 IonicContact CZ-OE1 3.68Å; R33-E144 VanDerWaalsContact CZ-OE1 3.27Å; R33-E144 IonicContact NH1-OE1 3.6Å; R33-E144 PolarHBondContact NH1-OE1 3.22Å; R33-E144 IonicContact NH1-OE2 2.95Å; R33-E144 PolarHBondContact NH1-OE2 2.85Å; R33-E144 IonicContact NH2-OE1 2.8Å; R33-E144 PolarHBondContact NH2-OE1 3.33Å; Q81-E144 PolarHBondContact NE2-OE1 3.27Å; V85-E144 WeakPolarHBondContact CG1-OE2 3.47Å; V85-E144 HydrophobicContact CG2-CB 4.5Å; V85-E144 WeakPolarHBondContact CG2-OE2 3.29Å; R140-E144 WeakPolarHBondContact O-CB 3.34Å; R140-E144 PolarHBondContact O-N 3.39Å; T141-E144 PolarHBondContact O-N 2.88Å; E144-T146 VanDerWaalsContact C-N 3.34Å; E144-T146 PolarHBondContact O-N 3.47Å; E144-F147 PolarHBondContact O-N 2.9Å; E144-I148 HydrophobicContact CG-CD1 4.12Å; E144-I148 VanDerWaalsContact O-CG1 3.28Å; E144-I148 WeakPolarHBondContact O-CG1 3.49Å; E144-I148 PolarHBondContact O-N 3.4Å; E144-S195 WeakPolarHBondContact OE1-CA 3.41Å; E144-S195 WeakPolarHBondContact OE1-CB 3.41Å; E144-S198 PolarHBondContact OE1-OG 3.38Å; E144-S198 VanDerWaalsContact OE1-OG 3.11Å; E144-L199 HydrophobicContact CB-CD1 4.36Å; E144-L199 HydrophobicContact CG-CB 4.13Å; E144-L199 HydrophobicContact CG-CD1 4.48Å
145V97.4Very high94Very high61 Ų6154.4 Ų54.437%0.3729%0.285SS..Hα-helixtrans-60.3-44.8175.3171.60000111T141 M143 F147 I148 V149 L199T141-V145 VanDerWaalsContact O-CG2 3.29Å; T141-V145 WeakPolarHBondContact O-CG2 3.29Å; T141-V145 PolarHBondContact O-N 3.35Å; M143-V145 PolarHBondContact O-N 3.49Å; V145-F147 PolarHBondContact O-N 3.39Å; V145-I148 PolarHBondContact O-N 2.87Å; V145-V149 HydrophobicContact CG1-CG2 4.2Å; V145-V149 WeakPolarHBondContact O-CB 3.29Å; V145-V149 VanDerWaalsContact O-CG2 3.29Å; V145-V149 WeakPolarHBondContact O-CG2 3.33Å; V145-V149 PolarHBondContact O-N 3.24Å; V145-L199 HydrophobicContact CG2-CD1 3.62Å; V145-L199 HydrophobicContact CG2-CD2 3.75Å; V145-L199 HydrophobicContact CG2-CG 4.35Å
146T96.9Very high94Very high72 Ų7251.7 Ų51.744%0.44228%0.277SS..Hα-helixtrans-59.9-47.5179.9-56.80000110.7V142 M143 E144 I148 V149 V150V142-T146 WeakPolarHBondContact O-CB 3.22Å; V142-T146 PolarHBondContact O-N 3.29Å; V142-T146 PolarHBondContact O-OG1 3.46Å; M143-T146 WeakPolarHBondContact O-CB 3.35Å; M143-T146 PolarHBondContact O-N 2.94Å; M143-T146 VanDerWaalsContact O-N 3.1Å; E144-T146 VanDerWaalsContact C-N 3.34Å; E144-T146 PolarHBondContact O-N 3.47Å; T146-I148 PolarHBondContact O-N 3.37Å; T146-V149 PolarHBondContact O-N 2.91Å; T146-V150 HydrophobicContact CG2-CG2 4.21Å; T146-V150 WeakPolarHBondContact O-CB 3.34Å; T146-V150 WeakPolarHBondContact O-CG2 3.49Å; T146-V150 PolarHBondContact O-N 2.95Å
147F96.8Very high94Very high32 Ų3254.6 Ų54.614%0.1429%0.29CS..Hα-helixtrans-65.9-36.3177.1-79.9-78.3000112.8Y77 L80 Q81 F84 M143 E144 V145 Q151Y77-F147 HydrophobicContact CE1-CD1 4.11Å; Y77-F147 HydrophobicContact CE2-CD1 4.01Å; Y77-F147 HydrophobicContact CE2-CE1 4.41Å; Y77-F147 AromaticContact CZ-CD1 3.63Å; Y77-F147 VanDerWaalsContact OH-C 3.3Å; Y77-F147 VanDerWaalsContact OH-CA 3.3Å; Y77-F147 WeakPolarHBondContact OH-CA 3.47Å; Y77-F147 WeakPolarHBondContact OH-CD1 3.44Å; Y77-F147 PolarHBondContact OH-O 2.98Å; L80-F147 HydrophobicContact CB-CE1 4.41Å; Q81-F147 HydrophobicContact CB-CB 4.36Å; Q81-F147 HydrophobicContact CB-CD1 3.77Å; Q81-F147 HydrophobicContact CB-CD2 4.4Å; Q81-F147 HydrophobicContact CB-CE1 4.16Å; Q81-F147 HydrophobicContact CB-CG 3.94Å; Q81-F147 HydrophobicContact CG-CB 3.77Å; Q81-F147 HydrophobicContact CG-CD1 4.13Å; Q81-F147 HydrophobicContact CG-CD2 4.16Å; Q81-F147 HydrophobicContact CG-CG 3.77Å; F84-F147 HydrophobicContact CB-CE2 3.6Å; F84-F147 HydrophobicContact CB-CZ 3.96Å; F84-F147 HydrophobicContact CD2-CE2 4.2Å; F84-F147 AromaticContact CD2-CZ 3.66Å; F84-F147 HydrophobicContact CD2-CZ 3.66Å; F84-F147 HydrophobicContact CG-CE2 4.11Å; F84-F147 HydrophobicContact CG-CZ 4.05Å; M143-F147 VanDerWaalsContact O-CD2 3.24Å; M143-F147 WeakPolarHBondContact O-CD2 3.28Å; M143-F147 PolarHBondContact O-N 3.1Å; E144-F147 PolarHBondContact O-N 2.9Å; V145-F147 PolarHBondContact O-N 3.39Å; F147-Q151 VanDerWaalsContact O-CB 3.26Å; F147-Q151 WeakPolarHBondContact O-CB 3.3Å; F147-Q151 PolarHBondContact O-N 3.49Å
148I95.8Very high94Very high34 Ų3460.7 Ų60.717%0.17432%0.317CS..Hα-helixtrans-63.9-46.5174.8-70.6165.2000110.5E144 V145 T146 Q151 Y152 L192 L199E144-I148 HydrophobicContact CG-CD1 4.12Å; E144-I148 VanDerWaalsContact O-CG1 3.28Å; E144-I148 WeakPolarHBondContact O-CG1 3.49Å; E144-I148 PolarHBondContact O-N 3.4Å; V145-I148 PolarHBondContact O-N 2.87Å; T146-I148 PolarHBondContact O-N 3.37Å; I148-Q151 PolarHBondContact O-N 2.93Å; I148-Y152 WeakPolarHBondContact O-CB 3.24Å; I148-Y152 PolarHBondContact O-N 2.85Å; I148-L192 HydrophobicContact CG2-CD1 4.04Å; I148-L199 HydrophobicContact CD1-CB 4.44Å; I148-L199 HydrophobicContact CD1-CD2 3.99Å
149V96.5Very high93.7Very high72 Ų7257.5 Ų57.544%0.43630%0.3SS..Hα-helixtrans-65.7-46.9-179.5171.60000111.1V145 T146 Q151 Y152 L153V145-V149 HydrophobicContact CG1-CG2 4.2Å; V145-V149 WeakPolarHBondContact O-CB 3.29Å; V145-V149 VanDerWaalsContact O-CG2 3.29Å; V145-V149 WeakPolarHBondContact O-CG2 3.33Å; V145-V149 PolarHBondContact O-N 3.24Å; T146-V149 PolarHBondContact O-N 2.91Å; V149-Q151 VanDerWaalsContact C-N 3.34Å; V149-Q151 PolarHBondContact O-N 3.27Å; V149-Y152 PolarHBondContact O-N 3.21Å; V149-L153 HydrophobicContact CG1-CD1 3.83Å; V149-L153 HydrophobicContact CG1-CG 4.25Å; V149-L153 VanDerWaalsContact O-CG 3.3Å; V149-L153 WeakPolarHBondContact O-CG 3.02Å; V149-L153 PolarHBondContact O-N 3.43Å
150V95.5Very high93.5Very high52 Ų5262.3 Ų62.332%0.31532%0.319SS..Hα-helixtrans-62.1-42.4179.2170.30000111Y77 T146 Y152 L153 I154Y77-V150 HydrophobicContact CE2-CG1 3.93Å; Y77-V150 WeakPolarHBondContact OH-CB 3.34Å; T146-V150 HydrophobicContact CG2-CG2 4.21Å; T146-V150 WeakPolarHBondContact O-CB 3.34Å; T146-V150 WeakPolarHBondContact O-CG2 3.49Å; T146-V150 PolarHBondContact O-N 2.95Å; V150-Y152 VanDerWaalsContact C-N 3.34Å; V150-Y152 PolarHBondContact O-N 3.43Å; V150-L153 PolarHBondContact O-N 2.78Å; V150-I154 HydrophobicContact CG1-CD1 3.57Å; V150-I154 HydrophobicContact CG1-CG1 4.29Å; V150-I154 WeakPolarHBondContact O-CG1 3.12Å; V150-I154 PolarHBondContact O-N 3.48Å
151Q94.5Very high93.3Very high3 Ų363.5 Ų63.51%0.01434%0.335CS..Hα-helixtrans-61.1-45.2175.9-175.9173.7-34.700111.3Y77 F147 I148 V149 L153 Y155 G156Y77-Q151 HydrophobicContact CE1-CB 3.72Å; Y77-Q151 HydrophobicContact CE1-CG 4.18Å; Y77-Q151 PolarHBondContact OH-N 3.46Å; Y77-Q151 VanDerWaalsContact OH-N 3.15Å; F147-Q151 VanDerWaalsContact O-CB 3.26Å; F147-Q151 WeakPolarHBondContact O-CB 3.3Å; F147-Q151 PolarHBondContact O-N 3.49Å; I148-Q151 PolarHBondContact O-N 2.93Å; V149-Q151 VanDerWaalsContact C-N 3.34Å; V149-Q151 PolarHBondContact O-N 3.27Å; Q151-L153 VanDerWaalsContact C-N 3.35Å; Q151-L153 PolarHBondContact O-N 2.91Å; Q151-Y155 HydrophobicContact CG-CD2 4.16Å; Q151-Y155 PolarHBondContact O-N 3.32Å; Q151-G156 PolarHBondContact O-N 3.38Å
152Y93.9Very high93.2Very high134 Ų13466.6 Ų66.653%0.52535%0.349SS..Hα-helixtrans-62.8-40178.1177.9-98.8000112.4I148 V149 V150 G156 I157I148-Y152 WeakPolarHBondContact O-CB 3.24Å; I148-Y152 PolarHBondContact O-N 2.85Å; V149-Y152 PolarHBondContact O-N 3.21Å; V150-Y152 VanDerWaalsContact C-N 3.34Å; V150-Y152 PolarHBondContact O-N 3.43Å; Y152-G156 WeakPolarHBondContact O-CA 3.04Å; Y152-G156 PolarHBondContact O-N 2.88Å; Y152-I157 HydrophobicContact CD2-CD1 4.36Å; Y152-I157 HydrophobicContact CD2-CG1 3.77Å; Y152-I157 HydrophobicContact CE2-CD1 3.87Å; Y152-I157 HydrophobicContact CE2-CG1 3.68Å
153L94.1Very high93.1Very high129 Ų12966 Ų6668%0.67534%0.338SS*.Hα-helixtrans-72.8-37.5-179.8-69176.9000113.1V149 V150 Q151V149-L153 HydrophobicContact CG1-CD1 3.83Å; V149-L153 HydrophobicContact CG1-CG 4.25Å; V149-L153 VanDerWaalsContact O-CG 3.3Å; V149-L153 WeakPolarHBondContact O-CG 3.02Å; V149-L153 PolarHBondContact O-N 3.43Å; V150-L153 PolarHBondContact O-N 2.78Å; Q151-L153 VanDerWaalsContact C-N 3.35Å; Q151-L153 PolarHBondContact O-N 2.91Å
154I91.9Very high93.1Very high86 Ų8668 Ų6844%0.44135%0.35SS..Hα-helixtrans-82.8-47.1-177.4-61.9175.7000111.5P71 V150P71-I154 HydrophobicContact CG-CG2 4.41Å; V150-I154 HydrophobicContact CG1-CD1 3.57Å; V150-I154 HydrophobicContact CG1-CG1 4.29Å; V150-I154 WeakPolarHBondContact O-CG1 3.12Å; V150-I154 PolarHBondContact O-N 3.48Å
155Y90.5Very high93.1Very high28 Ų2868 Ų6811%0.1135%0.349CS..Hα-helixtrans-110.9-19.2-170.5-52.9-67.1000113.8F70 I72 H74 Q151F70-Y155 HydrophobicContact CD1-CE1 4.42Å; I72-Y155 PolarHBondContact O-OH 3.24Å; H74-Y155 AromaticContact CE1-CD1 3.46Å; H74-Y155 VanDerWaalsContact CE1-CD1 3.46Å; H74-Y155 WeakPolarHBondContact CE1-CD1 3.41Å; H74-Y155 AromaticContact CE1-CE1 3.86Å; H74-Y155 AromaticContact CE1-CG 3.81Å; H74-Y155 AromaticContact NE2-CD1 3.49Å; H74-Y155 WeakPolarHBondContact NE2-CD1 3.15Å; H74-Y155 AromaticContact NE2-CD2 3.8Å; H74-Y155 AromaticContact NE2-CG 3.31Å; H74-Y155 VanDerWaalsContact NE2-CG 3.31Å; Q151-Y155 HydrophobicContact CG-CD2 4.16Å; Q151-Y155 PolarHBondContact O-N 3.32Å
156G90.5Very high93.1Very high25 Ų2570.1 Ų70.126%0.25836%0.362SS..  trans75.3-164.8-171.100000113.1Q151 Y152Q151-G156 PolarHBondContact O-N 3.38Å; Y152-G156 WeakPolarHBondContact O-CA 3.04Å; Y152-G156 PolarHBondContact O-N 2.88Å
157I88.4Confident93Very high72 Ų7269.1 Ų69.137%0.36936%0.356SS..SBendtrans-87.9-36.7177.4-56.5174.8000110.9Y152Y152-I157 HydrophobicContact CD2-CD1 4.36Å; Y152-I157 HydrophobicContact CD2-CG1 3.77Å; Y152-I157 HydrophobicContact CE2-CD1 3.87Å; Y152-I157 HydrophobicContact CE2-CG1 3.68Å
158F89.8Confident92.9Very high137 Ų13777.9 Ų77.960%0.60139%0.389SS*.SBendtrans-129.7128.9-177.4-60.9-77.7000110.2N185 V189F158-N185 WeakPolarHBondContact CA-OD1 3.41Å; F158-V189 HydrophobicContact CD1-CG2 4.19Å; F158-V189 HydrophobicContact CE1-CG2 3.66Å; F158-V189 HydrophobicContact CZ-CG2 4.27Å
159L87.9Confident92.9Very high16 Ų1677.4 Ų77.48%0.08439%0.388CS..  trans-81.4123.2175-177.6151000108.7F70 M178 P181 N185 I188F70-L159 HydrophobicContact CE1-CD1 3.98Å; F70-L159 HydrophobicContact CZ-CD1 4.45Å; L159-M178 HydrophobicContact CD1-CE 3.84Å; L159-M178 HydrophobicContact CD1-SD 4.35Å; L159-M178 HydrophobicContact CD2-CB 4.46Å; L159-M178 HydrophobicContact CD2-CE 3.49Å; L159-M178 VanDerWaalsContact CD2-CE 3.49Å; L159-M178 HydrophobicContact CD2-SD 3.3Å; L159-M178 WeakPolarHBondContact CD2-SD 3.35Å; L159-M178 HydrophobicContact CG-CE 3.9Å; L159-M178 HydrophobicContact CG-SD 3.76Å; L159-P181 HydrophobicContact CD2-CB 3.85Å; L159-N185 VanDerWaalsContact CB-OD1 3.29Å; L159-N185 WeakPolarHBondContact CB-OD1 3.26Å; L159-N185 PolarHBondContact N-OD1 3.1Å; L159-N185 PolarHBondContact O-ND2 3.48Å; L159-I188 HydrophobicContact CB-CD1 4.2Å; L159-I188 HydrophobicContact CD1-CD1 4.02Å
160K88.1Confident92.8Very high170 Ų17074.6 Ų74.674%0.73937%0.371SS*.  trans-78145-179.6-66.4-178.9-177.3172.60109.6M162K160-M162 PolarHBondContact O-N 3.41Å; K160-M162 VanDerWaalsContact O-N 3.16Å
161A89.2Confident92.7Very high54 Ų5476.1 Ų76.145%0.44638%0.382SS..SBendtrans-65.4-17.2179.300000114.2M178 P181A161-M178 PolarHBondContact O-N 3.48Å; A161-P181 HydrophobicContact CB-CB 4.19Å; A161-P181 HydrophobicContact CB-CG 3.7Å
162M92.4Very high92.7Very high81 Ų8182 Ų8240%0.39941%0.414SS..EExtended strand (participates in β ladder)trans-133.2132.3-173.4178-113.4179.400110.7K160 L164 N175 C176 Y177K160-M162 PolarHBondContact O-N 3.41Å; K160-M162 VanDerWaalsContact O-N 3.16Å; M162-L164 HydrophobicContact CE-CB 4.46Å; M162-L164 HydrophobicContact CE-CD1 4.26Å; M162-N175 HydrophobicContact CE-CB 3.77Å; M162-N175 WeakPolarHBondContact CE-OD1 3.23Å; M162-C176 WeakPolarHBondContact CA-O 3.27Å; M162-Y177 HydrophobicContact CG-CE1 4.41Å
163Y93.3Very high92.8Very high70 Ų7078.2 Ų78.228%0.27541%0.411SS..EExtended strand (participates in β ladder)trans-118.4128177179.4-102.7000109.5S68 A69 C165 C176S68-Y163 PolarHBondContact O-OH 2.91Å; S68-Y163 PolarHBondContact OG-OH 2.95Å; A69-Y163 HydrophobicContact CB-CD1 3.83Å; A69-Y163 HydrophobicContact CB-CD2 3.99Å; A69-Y163 HydrophobicContact CB-CE1 3.79Å; A69-Y163 HydrophobicContact CB-CE2 3.95Å; A69-Y163 HydrophobicContact CB-CG 3.92Å; Y163-C165 HydrophobicContact CD1-CB 3.98Å; Y163-C165 HydrophobicContact CE1-CB 3.78Å; Y163-C176 PolarHBondContact N-O 3.17Å; Y163-C176 PolarHBondContact O-N 3.41Å
164L95.7Very high92.9Very high100 Ų10072.7 Ų72.752%0.52438%0.382SS..EExtended strand (participates in β ladder)trans-93.6114.4176.6-173.871.8000109M162 A173 N175M162-L164 HydrophobicContact CE-CB 4.46Å; M162-L164 HydrophobicContact CE-CD1 4.26Å; L164-A173 HydrophobicContact CD1-CB 3.97Å; L164-A173 HydrophobicContact CG-CB 4.27Å; L164-N175 VanDerWaalsContact CD1-OD1 3.25Å; L164-N175 WeakPolarHBondContact CD1-OD1 3.2Å
165C96.5Very high93.1Very high0 Ų071.1 Ų71.10%037%0.374CS..EExtended strand (participates in β ladder)trans-107.8134.6-175-178.30000111.8C65 Y163 A173 V174C65-C165 WeakPolarHBondContact CA-SG 3.34Å; C65-C165 HydrophobicContact CB-CB 3.65Å; C65-C165 WeakPolarHBondContact CB-SG 2.86Å; C65-C165 WeakPolarHBondContact SG-CB 3.33Å; C65-C165 CovalentContact SG-SG 2.02Å; C65-C165 PolarHBondContact SG-SG 3.44Å; Y163-C165 HydrophobicContact CD1-CB 3.98Å; Y163-C165 HydrophobicContact CE1-CB 3.78Å; C165-A173 CarbonylContact O-C 3.59Å; C165-A173 VanDerWaalsContact O-CA 3.31Å; C165-A173 WeakPolarHBondContact O-CA 3.07Å; C165-V174 HydrophobicContact CB-CG2 3.94Å; C165-V174 PolarHBondContact N-O 2.82Å; C165-V174 PolarHBondContact O-N 3.33Å
166T96Very high93.4Very high105 Ų10569.8 Ų69.864%0.64437%0.369SS*.  trans-126.313.4176.850.60000112.8A173T166-A173 HydrophobicContact CG2-CB 3.62Å
167T95.9Very high93.6Very high51 Ų5174.4 Ų74.431%0.31338%0.38SS..  trans-75.7139.1-174.9-50.50000111.3V64 C170V64-T167 HydrophobicContact CB-CG2 4.21Å; V64-T167 HydrophobicContact CG2-CG2 4.24Å; T167-C170 WeakPolarHBondContact O-CB 3.36Å; T167-C170 PolarHBondContact O-N 3.25Å; T167-C170 PolarHBondContact O-SG 2.98Å
168W94.1Very high93.7Very high216 Ų21671.9 Ų71.982%0.81837%0.367SS*.THydrogen-bonded Turntrans-62135.4173.5-171.391.7000110.3V64V64-W168 WeakPolarHBondContact CG2-O 3.47Å
169P95.6Very high93.7Very high24 Ų2466.1 Ų66.116%0.15634%0.344CS..THydrogen-bonded Turncis-94.819.318.737.4-37.8000115.8Q58Q58-P169 WeakPolarHBondContact CG-O 3.22Å
170C96Very high93.8Very high14 Ų1470.4 Ų70.410%0.09536%0.358CS..  trans-67.4130.3179.7-52.70000111.1C61 C65 T167 V174C61-C170 VanDerWaalsContact CA-SG 3.56Å; C61-C170 HydrophobicContact CB-CB 4.18Å; C61-C170 WeakPolarHBondContact CB-SG 3.42Å; C61-C170 WeakPolarHBondContact SG-CB 2.76Å; C61-C170 CovalentContact SG-SG 2.03Å; C61-C170 PolarHBondContact SG-SG 3.38Å; C65-C170 PolarHBondContact SG-SG 3.02Å; T167-C170 WeakPolarHBondContact O-CB 3.36Å; T167-C170 PolarHBondContact O-N 3.25Å; T167-C170 PolarHBondContact O-SG 2.98Å; C170-V174 HydrophobicContact CB-CG2 4.45Å
171P93.3Very high94Very high84 Ų8463.4 Ų63.455%0.54533%0.33SS..SBendtrans-73.6-28.9-173.427.5-34.7000113.6
172N93.9Very high94.1Very high125 Ų12565.9 Ų65.967%0.66834%0.34SS*.SBendtrans-144.7179.8178.1-68.1-64.6000108.9V174N172-V174 PolarHBondContact O-N 3.36Å
173A95.8Very high94Very high56 Ų5664.6 Ų64.646%0.46333%0.333SS..  trans-63119.9170.100000110.3L164 C165 T166L164-A173 HydrophobicContact CD1-CB 3.97Å; L164-A173 HydrophobicContact CG-CB 4.27Å; C165-A173 CarbonylContact O-C 3.59Å; C165-A173 VanDerWaalsContact O-CA 3.31Å; C165-A173 WeakPolarHBondContact O-CA 3.07Å; T166-A173 HydrophobicContact CG2-CB 3.62Å
174V96.8Very high94Very high12 Ų1261.3 Ų61.37%0.07332%0.32CS..EExtended strand (participates in β ladder)trans-112.4146.3-179.9-620000110.7C54 C165 C170 N172C54-V174 HydrophobicContact CB-CG2 4.48Å; C165-V174 HydrophobicContact CB-CG2 3.94Å; C165-V174 PolarHBondContact N-O 2.82Å; C165-V174 PolarHBondContact O-N 3.33Å; C170-V174 HydrophobicContact CB-CG2 4.45Å; N172-V174 PolarHBondContact O-N 3.36Å
175N96.6Very high93.8Very high53 Ų5357.8 Ų57.828%0.28330%0.302SS..EExtended strand (participates in β ladder)trans-89121.2175.9-59.6-30000108.8C54 D55 M162 L164 Y177C54-N175 WeakPolarHBondContact CA-O 3.32Å; D55-N175 PolarHBondContact N-O 2.95Å; M162-N175 HydrophobicContact CE-CB 3.77Å; M162-N175 WeakPolarHBondContact CE-OD1 3.23Å; L164-N175 VanDerWaalsContact CD1-OD1 3.25Å; L164-N175 WeakPolarHBondContact CD1-OD1 3.2Å; N175-Y177 HydrophobicContact CB-CE2 4.25Å
176C95.7Very high93.6Very high0 Ų063.4 Ų63.40%033%0.331CS..EExtended strand (participates in β ladder)trans-110.3135.7174.1-58.10000110.1F52 M53 C54 M162 Y163F52-C176 HydrophobicContact CE1-CB 3.9Å; F52-C176 HydrophobicContact CE2-CB 3.96Å; F52-C176 HydrophobicContact CZ-CB 3.39Å; M53-C176 CarbonylContact O-C 3.54Å; M53-C176 WeakPolarHBondContact O-CA 3.38Å; C54-C176 HydrophobicContact CB-CB 4.12Å; C54-C176 WeakPolarHBondContact CB-SG 3.12Å; C54-C176 WeakPolarHBondContact SG-CB 3.49Å; C54-C176 CovalentContact SG-SG 2.05Å; C54-C176 PolarHBondContact SG-SG 3.43Å; M162-C176 WeakPolarHBondContact CA-O 3.27Å; Y163-C176 PolarHBondContact N-O 3.17Å; Y163-C176 PolarHBondContact O-N 3.41Å
177Y94Very high93.5Very high122 Ų12260.3 Ų60.348%0.47831%0.308SS..EExtended strand (participates in β ladder)trans-108136.1-176.3-61.3-83.8000110.2M53 M162 N175M53-Y177 PolarHBondContact N-O 3.09Å; M53-Y177 PolarHBondContact O-N 3.48Å; M162-Y177 HydrophobicContact CG-CE1 4.41Å; N175-Y177 HydrophobicContact CB-CE2 4.25Å
178M91.3Very high93.3Very high20 Ų2058 Ų5810%0.09929%0.294CS..  trans-92.5138.6-177.4-64.6-157.464.900111.5F70 L159 A161 P181F70-M178 HydrophobicContact CD2-CE 4.31Å; F70-M178 HydrophobicContact CE1-CE 3.65Å; F70-M178 HydrophobicContact CE1-SD 4.4Å; F70-M178 HydrophobicContact CE2-CE 3.23Å; F70-M178 HydrophobicContact CE2-SD 3.94Å; F70-M178 HydrophobicContact CZ-CE 2.89Å; F70-M178 HydrophobicContact CZ-SD 3.42Å; F70-M178 WeakPolarHBondContact CZ-SD 3.33Å; L159-M178 HydrophobicContact CD1-CE 3.84Å; L159-M178 HydrophobicContact CD1-SD 4.35Å; L159-M178 HydrophobicContact CD2-CB 4.46Å; L159-M178 HydrophobicContact CD2-CE 3.49Å; L159-M178 VanDerWaalsContact CD2-CE 3.49Å; L159-M178 HydrophobicContact CD2-SD 3.3Å; L159-M178 WeakPolarHBondContact CD2-SD 3.35Å; L159-M178 HydrophobicContact CG-CE 3.9Å; L159-M178 HydrophobicContact CG-SD 3.76Å; A161-M178 PolarHBondContact O-N 3.48Å; M178-P181 WeakPolarHBondContact O-CD 3.3Å
179S89.8Confident93.3Very high16 Ų1650 Ų5011%0.11227%0.269CS..SBendtrans-72.2130.9171.2-166.60000111.2D51 K184D51-S179 WeakPolarHBondContact CB-OG 3.47Å; D51-S179 PolarHBondContact OD2-OG 3.01Å; S179-K184 WeakPolarHBondContact O-CE 3.45Å; S179-K184 PolarHBondContact O-NZ 2.93Å
180R90.3Very high93.1Very high105 Ų10551.9 Ų51.940%0.39628%0.275SS..SBendtrans45.554.7173.8-45.4-173.2-160.1-1737.9115S43 D47 T182 E183 K184S43-R180 PolarHBondContact O-NH1 3Å; S43-R180 VanDerWaalsContact O-NH1 3.11Å; D47-R180 IonicContact OD2-CZ 3.12Å; D47-R180 IonicContact OD2-NE 3.94Å; D47-R180 IonicContact OD2-NH2 3.95Å; D47-R180 PolarHBondContact OD2-NH2 3.13Å; R180-T182 VanDerWaalsContact C-N 3.28Å; R180-T182 PolarHBondContact O-N 2.98Å; R180-E183 HydrophobicContact CB-CB 3.97Å; R180-E183 WeakPolarHBondContact CD-OE2 3.41Å; R180-E183 IonicContact NH1-OE2 2.78Å; R180-E183 PolarHBondContact O-N 3.36Å; R180-K184 WeakPolarHBondContact O-CG 3.36Å; R180-K184 PolarHBondContact O-N 3.47Å
181P91.3Very high92.9Very high23 Ų2351.4 Ų51.415%0.14927%0.271CS..Hα-helixtrans-64.1-33-174.327-34.8000112.5L159 A161 M178 N185L159-P181 HydrophobicContact CD2-CB 3.85Å; A161-P181 HydrophobicContact CB-CB 4.19Å; A161-P181 HydrophobicContact CB-CG 3.7Å; M178-P181 WeakPolarHBondContact O-CD 3.3Å; P181-N185 VanDerWaalsContact O-CB 3.25Å; P181-N185 WeakPolarHBondContact O-CB 3.47Å; P181-N185 PolarHBondContact O-N 3.06Å; P181-N185 PolarHBondContact O-ND2 3.46Å; P181-N185 VanDerWaalsContact O-ND2 3.1Å
182T91.4Very high93Very high107 Ų10749.5 Ų49.566%0.65626%0.257SS*.Hα-helixtrans-68.7-44.2177.248.20000112.1R180 N185 I186R180-T182 VanDerWaalsContact C-N 3.28Å; R180-T182 PolarHBondContact O-N 2.98Å; T182-N185 PolarHBondContact O-N 3.43Å; T182-I186 WeakPolarHBondContact O-CG1 3.19Å; T182-I186 PolarHBondContact O-N 3.45Å; T182-I186 VanDerWaalsContact O-N 3.14Å
183E91.4Very high93Very high53 Ų5347.8 Ų47.825%0.24825%0.25CS..Hα-helixtrans-62.2-49.5176.2-171.5-178.3156.700110.7S44 R180 N185 I186 F187S44-E183 WeakPolarHBondContact CB-OE1 3.45Å; S44-E183 VanDerWaalsContact OG-CD 3.28Å; S44-E183 PolarHBondContact OG-OE1 3.46Å; R180-E183 HydrophobicContact CB-CB 3.97Å; R180-E183 WeakPolarHBondContact CD-OE2 3.41Å; R180-E183 IonicContact NH1-OE2 2.78Å; R180-E183 PolarHBondContact O-N 3.36Å; E183-N185 VanDerWaalsContact C-N 3.3Å; E183-N185 PolarHBondContact O-N 3.37Å; E183-I186 WeakPolarHBondContact O-CB 3.44Å; E183-I186 PolarHBondContact O-N 2.99Å; E183-I186 VanDerWaalsContact O-N 3.15Å; E183-F187 HydrophobicContact CG-CD2 4.34Å; E183-F187 HydrophobicContact CG-CE2 3.86Å; E183-F187 WeakPolarHBondContact O-CD2 3.17Å; E183-F187 PolarHBondContact O-N 3.48Å
184K91.8Very high92.9Very high1 Ų145.5 Ų45.50%0.00423%0.231CC..Hα-helixtrans-59-40.5176-69.1-179.91781760112.2S44 W45 E48 S179 R180 I186 F187 I188S44-K184 WeakPolarHBondContact O-CE 3.26Å; W45-K184 HydrophobicContact CD2-CG 4.38Å; W45-K184 HydrophobicContact CH2-CB 3.79Å; W45-K184 HydrophobicContact CH2-CG 3.82Å; W45-K184 HydrophobicContact CZ2-CB 3.74Å; W45-K184 HydrophobicContact CZ2-CD 4.07Å; W45-K184 HydrophobicContact CZ2-CG 3.65Å; W45-K184 HydrophobicContact CZ3-CG 4.25Å; E48-K184 VanDerWaalsContact CG-NZ 3.32Å; E48-K184 IonicContact OE1-NZ 3.54Å; E48-K184 PolarHBondContact OE1-NZ 2.94Å; S179-K184 WeakPolarHBondContact O-CE 3.45Å; S179-K184 PolarHBondContact O-NZ 2.93Å; R180-K184 WeakPolarHBondContact O-CG 3.36Å; R180-K184 PolarHBondContact O-N 3.47Å; K184-I186 VanDerWaalsContact C-N 3.33Å; K184-I186 PolarHBondContact O-N 3.08Å; K184-F187 PolarHBondContact O-N 3.3Å; K184-I188 VanDerWaalsContact O-CG1 3.25Å; K184-I188 WeakPolarHBondContact O-CG1 3.4Å; K184-I188 PolarHBondContact O-N 2.9Å
185N92.4Very high92.7Very high26 Ų2645 Ų4514%0.13923%0.228CC..Hα-helixtrans-61.4-38.5176.8-84.4-29.3000113.2F158 L159 P181 T182 E183 F187 I188 V189F158-N185 WeakPolarHBondContact CA-OD1 3.41Å; L159-N185 VanDerWaalsContact CB-OD1 3.29Å; L159-N185 WeakPolarHBondContact CB-OD1 3.26Å; L159-N185 PolarHBondContact N-OD1 3.1Å; L159-N185 PolarHBondContact O-ND2 3.48Å; P181-N185 VanDerWaalsContact O-CB 3.25Å; P181-N185 WeakPolarHBondContact O-CB 3.47Å; P181-N185 PolarHBondContact O-N 3.06Å; P181-N185 PolarHBondContact O-ND2 3.46Å; P181-N185 VanDerWaalsContact O-ND2 3.1Å; T182-N185 PolarHBondContact O-N 3.43Å; E183-N185 VanDerWaalsContact C-N 3.3Å; E183-N185 PolarHBondContact O-N 3.37Å; N185-F187 VanDerWaalsContact C-N 3.34Å; N185-F187 PolarHBondContact O-N 3.01Å; N185-I188 PolarHBondContact O-N 3.03Å; N185-V189 WeakPolarHBondContact O-CB 3.45Å; N185-V189 VanDerWaalsContact O-CG2 3.31Å; N185-V189 WeakPolarHBondContact O-CG2 3.44Å; N185-V189 PolarHBondContact O-N 3.27Å
186I92.8Very high92.6Very high119 Ų11944.1 Ų44.161%0.6123%0.231SC*.Hα-helixtrans-60.4-47.8176.6-67.6164.2000109.9T182 E183 K184 F190T182-I186 WeakPolarHBondContact O-CG1 3.19Å; T182-I186 PolarHBondContact O-N 3.45Å; T182-I186 VanDerWaalsContact O-N 3.14Å; E183-I186 WeakPolarHBondContact O-CB 3.44Å; E183-I186 PolarHBondContact O-N 2.99Å; E183-I186 VanDerWaalsContact O-N 3.15Å; K184-I186 VanDerWaalsContact C-N 3.33Å; K184-I186 PolarHBondContact O-N 3.08Å; I186-F190 WeakPolarHBondContact O-CB 3.49Å; I186-F190 PolarHBondContact O-N 3.45Å
187F92.8Very high92.5Very high39 Ų3947.1 Ų47.117%0.17125%0.249CC..Hα-helixtrans-64.6-41.5177.5-69.8-66.6000112.7V36 A40 S44 W45 W78 E183 K184 N185 F190 M191V36-F187 HydrophobicContact CG1-CD1 3.8Å; V36-F187 HydrophobicContact CG1-CE1 4.23Å; A40-F187 HydrophobicContact CB-CD1 3.87Å; A40-F187 HydrophobicContact CB-CD2 4.3Å; A40-F187 HydrophobicContact CB-CE1 3.98Å; A40-F187 HydrophobicContact CB-CE2 4.41Å; A40-F187 HydrophobicContact CB-CG 4.03Å; A40-F187 HydrophobicContact CB-CZ 4.25Å; S44-F187 WeakPolarHBondContact OG-CE2 3.2Å; W45-F187 HydrophobicContact CH2-CB 3.77Å; W45-F187 HydrophobicContact CH2-CD2 4.34Å; W45-F187 HydrophobicContact CH2-CG 4.43Å; W45-F187 HydrophobicContact CZ3-CB 3.81Å; W45-F187 AromaticContact CZ3-CD2 3.77Å; W45-F187 HydrophobicContact CZ3-CD2 3.77Å; W45-F187 AromaticContact CZ3-CG 4Å; W45-F187 HydrophobicContact CZ3-CG 4Å; W78-F187 HydrophobicContact CH2-CB 4.11Å; E183-F187 HydrophobicContact CG-CD2 4.34Å; E183-F187 HydrophobicContact CG-CE2 3.86Å; E183-F187 WeakPolarHBondContact O-CD2 3.17Å; E183-F187 PolarHBondContact O-N 3.48Å; K184-F187 PolarHBondContact O-N 3.3Å; N185-F187 VanDerWaalsContact C-N 3.34Å; N185-F187 PolarHBondContact O-N 3.01Å; F187-F190 PolarHBondContact O-N 3.03Å; F187-M191 WeakPolarHBondContact O-CB 3.32Å; F187-M191 VanDerWaalsContact O-CG 3.29Å; F187-M191 WeakPolarHBondContact O-CG 3.48Å; F187-M191 PolarHBondContact O-N 2.93Å
188I92.6Very high92.4Very high3 Ų341.4 Ų41.42%0.01523%0.227CC..Hα-helixtrans-60.7-50.9177.3-70164000111.3W45 W78 L159 K184 N185 F190 M191 L192W45-I188 HydrophobicContact CZ2-CG1 4.49Å; W78-I188 HydrophobicContact CH2-CG1 4.08Å; W78-I188 HydrophobicContact CZ2-CB 4.4Å; W78-I188 HydrophobicContact CZ2-CG1 3.82Å; L159-I188 HydrophobicContact CB-CD1 4.2Å; L159-I188 HydrophobicContact CD1-CD1 4.02Å; K184-I188 VanDerWaalsContact O-CG1 3.25Å; K184-I188 WeakPolarHBondContact O-CG1 3.4Å; K184-I188 PolarHBondContact O-N 2.9Å; N185-I188 PolarHBondContact O-N 3.03Å; I188-F190 VanDerWaalsContact C-N 3.33Å; I188-F190 PolarHBondContact O-N 3.23Å; I188-M191 PolarHBondContact O-N 2.97Å; I188-L192 WeakPolarHBondContact O-CB 3.37Å; I188-L192 PolarHBondContact O-N 3.46Å
189V93.3Very high92.5Very high48 Ų4842.1 Ų42.129%0.29123%0.231SC..Hα-helixtrans-62.6-43.9179.7171.20000110.5F158 N185 L192 V193F158-V189 HydrophobicContact CD1-CG2 4.19Å; F158-V189 HydrophobicContact CE1-CG2 3.66Å; F158-V189 HydrophobicContact CZ-CG2 4.27Å; N185-V189 WeakPolarHBondContact O-CB 3.45Å; N185-V189 VanDerWaalsContact O-CG2 3.31Å; N185-V189 WeakPolarHBondContact O-CG2 3.44Å; N185-V189 PolarHBondContact O-N 3.27Å; V189-L192 WeakPolarHBondContact O-CB 3.38Å; V189-L192 PolarHBondContact O-N 3.03Å; V189-V193 HydrophobicContact CG1-CG2 4.4Å; V189-V193 WeakPolarHBondContact O-CG2 3.44Å; V189-V193 PolarHBondContact O-N 3Å
190F92.4Very high92.7Very high64 Ų6446.2 Ų46.228%0.28125%0.251SS..Hα-helixtrans-60-48.2177.4172.9-83.9000112.1F32 V36 I186 F187 I188 L192 V193 V194F32-F190 HydrophobicContact CD1-CE1 4.1Å; F32-F190 HydrophobicContact CD1-CE2 4.35Å; F32-F190 AromaticContact CD1-CZ 3.55Å; F32-F190 HydrophobicContact CD1-CZ 3.55Å; F32-F190 AromaticContact CE1-CE1 3.85Å; F32-F190 HydrophobicContact CE1-CE1 3.85Å; F32-F190 AromaticContact CE1-CE2 3.33Å; F32-F190 HydrophobicContact CE1-CE2 3.33Å; F32-F190 AromaticContact CE1-CZ 2.89Å; F32-F190 HydrophobicContact CE1-CZ 2.89Å; F32-F190 HydrophobicContact CE2-CZ 4.06Å; F32-F190 HydrophobicContact CG-CZ 4.39Å; F32-F190 HydrophobicContact CZ-CE1 4.39Å; F32-F190 AromaticContact CZ-CE2 3.51Å; F32-F190 HydrophobicContact CZ-CE2 3.51Å; F32-F190 AromaticContact CZ-CZ 3.19Å; F32-F190 HydrophobicContact CZ-CZ 3.19Å; V36-F190 HydrophobicContact CB-CE1 3.84Å; V36-F190 HydrophobicContact CB-CZ 4.48Å; V36-F190 HydrophobicContact CG1-CD1 4Å; V36-F190 HydrophobicContact CG1-CE1 3.77Å; V36-F190 HydrophobicContact CG2-CD1 4.24Å; V36-F190 HydrophobicContact CG2-CE1 3.24Å; V36-F190 HydrophobicContact CG2-CZ 3.42Å; V36-F190 VanDerWaalsContact CG2-CZ 3.42Å; I186-F190 WeakPolarHBondContact O-CB 3.49Å; I186-F190 PolarHBondContact O-N 3.45Å; F187-F190 PolarHBondContact O-N 3.03Å; I188-F190 VanDerWaalsContact C-N 3.33Å; I188-F190 PolarHBondContact O-N 3.23Å; F190-L192 VanDerWaalsContact C-N 3.28Å; F190-L192 PolarHBondContact O-N 3.5Å; F190-V193 PolarHBondContact O-N 3.15Å; F190-V194 HydrophobicContact CD1-CG2 4.24Å; F190-V194 HydrophobicContact CE1-CG2 3.99Å; F190-V194 HydrophobicContact CZ-CG2 4.3Å; F190-V194 WeakPolarHBondContact O-CG2 3.44Å; F190-V194 PolarHBondContact O-N 2.56Å
191M92.3Very high92.7Very high3 Ų343 Ų432%0.01524%0.242CC..Hα-helixtrans-63.4-36.2178.1-72.4-66.1-104.200111.4R33 V36 W78 F187 I188 S195R33-M191 HydrophobicContact CB-CE 4.39Å; R33-M191 HydrophobicContact CG-SD 4.26Å; V36-M191 HydrophobicContact CB-SD 4.46Å; V36-M191 HydrophobicContact CG1-SD 4.14Å; W78-M191 HydrophobicContact CB-CE 3.91Å; W78-M191 HydrophobicContact CD2-CE 3.81Å; W78-M191 HydrophobicContact CD2-CG 4.12Å; W78-M191 HydrophobicContact CE3-CE 3.93Å; W78-M191 HydrophobicContact CE3-CG 4.27Å; W78-M191 HydrophobicContact CG-CE 3.8Å; W78-M191 HydrophobicContact CH2-CG 4.2Å; W78-M191 HydrophobicContact CZ2-CB 4.13Å; W78-M191 HydrophobicContact CZ2-CG 4.05Å; W78-M191 HydrophobicContact CZ3-CG 4.3Å; F187-M191 WeakPolarHBondContact O-CB 3.32Å; F187-M191 VanDerWaalsContact O-CG 3.29Å; F187-M191 WeakPolarHBondContact O-CG 3.48Å; F187-M191 PolarHBondContact O-N 2.93Å; I188-M191 PolarHBondContact O-N 2.97Å; M191-S195 WeakPolarHBondContact O-CB 3.43Å; M191-S195 PolarHBondContact O-N 3.42Å; M191-S195 PolarHBondContact O-OG 2.93Å
192L93.4Very high92.6Very high45 Ų4542 Ų4224%0.23624%0.235CC..Hα-helixtrans-65.3-43.3174-176.465.1000112I148 I188 V189 F190 S195 G196I148-L192 HydrophobicContact CG2-CD1 4.04Å; I188-L192 WeakPolarHBondContact O-CB 3.37Å; I188-L192 PolarHBondContact O-N 3.46Å; V189-L192 WeakPolarHBondContact O-CB 3.38Å; V189-L192 PolarHBondContact O-N 3.03Å; F190-L192 VanDerWaalsContact C-N 3.28Å; F190-L192 PolarHBondContact O-N 3.5Å; L192-S195 WeakPolarHBondContact O-CB 3.47Å; L192-S195 PolarHBondContact O-N 3.47Å; L192-G196 PolarHBondContact O-N 2.85Å
193V94.3Very high92.6Very high88 Ų8840.2 Ų40.253%0.53322%0.224SC..Hα-helixtrans-62.7-47.7176169.80000110.7V189 F190 S195 G196 V197V189-V193 HydrophobicContact CG1-CG2 4.4Å; V189-V193 WeakPolarHBondContact O-CG2 3.44Å; V189-V193 PolarHBondContact O-N 3Å; F190-V193 PolarHBondContact O-N 3.15Å; V193-S195 PolarHBondContact O-N 2.94Å; V193-G196 PolarHBondContact O-N 3.41Å; V193-V197 HydrophobicContact CG1-CG2 4.39Å; V193-V197 WeakPolarHBondContact O-CG2 3.34Å; V193-V197 PolarHBondContact O-N 2.74Å
194V93.4Very high92.5Very high9 Ų942 Ų426%0.05524%0.235CC..Hα-helixtrans-61.5-34.8176.31760000111L29 F32 R33 F190 S198L29-V194 HydrophobicContact CB-CG1 4.28Å; L29-V194 HydrophobicContact CD2-CG1 4.14Å; F32-V194 HydrophobicContact CD1-CG2 4.05Å; F32-V194 HydrophobicContact CE1-CG2 4.26Å; R33-V194 HydrophobicContact CG-CG1 3.74Å; R33-V194 PolarHBondContact NH2-O 3.18Å; F190-V194 HydrophobicContact CD1-CG2 4.24Å; F190-V194 HydrophobicContact CE1-CG2 3.99Å; F190-V194 HydrophobicContact CZ-CG2 4.3Å; F190-V194 WeakPolarHBondContact O-CG2 3.44Å; F190-V194 PolarHBondContact O-N 2.56Å; V194-S198 WeakPolarHBondContact O-CB 3.24Å; V194-S198 PolarHBondContact O-N 2.83Å; V194-S198 PolarHBondContact O-OG 2.75Å
195S93.3Very high92.3Very high1 Ų143.2 Ų43.21%0.00724%0.24CC..Hα-helixtrans-64-50171.5-56.50000112.5Q81 E144 M191 L192 V193 V197 S198 L199Q81-S195 PolarHBondContact NE2-OG 3.33Å; E144-S195 WeakPolarHBondContact OE1-CA 3.41Å; E144-S195 WeakPolarHBondContact OE1-CB 3.41Å; M191-S195 WeakPolarHBondContact O-CB 3.43Å; M191-S195 PolarHBondContact O-N 3.42Å; M191-S195 PolarHBondContact O-OG 2.93Å; L192-S195 WeakPolarHBondContact O-CB 3.47Å; L192-S195 PolarHBondContact O-N 3.47Å; V193-S195 PolarHBondContact O-N 2.94Å; S195-V197 PolarHBondContact O-N 3.03Å; S195-S198 PolarHBondContact O-N 2.92Å; S195-S198 PolarHBondContact O-OG 3.5Å; S195-L199 WeakPolarHBondContact O-CB 3.24Å; S195-L199 PolarHBondContact O-N 3.3Å
196G94.5Very high92Very high34 Ų3444.3 Ų44.335%0.35125%0.246SC..Hα-helixtrans-59.4-44.4176.300000113.6L192 V193 L199 L200L192-G196 PolarHBondContact O-N 2.85Å; V193-G196 PolarHBondContact O-N 3.41Å; G196-L199 PolarHBondContact O-N 3.13Å; G196-L200 WeakPolarHBondContact O-CB 3.32Å; G196-L200 PolarHBondContact O-N 2.93Å
197V93.8Very high91.7Very high64 Ų6445.9 Ų45.939%0.38825%0.245SC..Hα-helixtrans-64.2-42.9177.1175.80000110.9L29 V193 S195 L199 L200 L201L29-V197 HydrophobicContact CD1-CB 4.49Å; L29-V197 HydrophobicContact CD1-CG1 3.88Å; V193-V197 HydrophobicContact CG1-CG2 4.39Å; V193-V197 WeakPolarHBondContact O-CG2 3.34Å; V193-V197 PolarHBondContact O-N 2.74Å; S195-V197 PolarHBondContact O-N 3.03Å; V197-L199 VanDerWaalsContact C-N 3.32Å; V197-L199 PolarHBondContact O-N 3.11Å; V197-L200 PolarHBondContact O-N 3.26Å; V197-L201 HydrophobicContact CG1-CD1 4.23Å; V197-L201 HydrophobicContact CG1-CG 4.49Å; V197-L201 WeakPolarHBondContact O-CG 3.34Å; V197-L201 PolarHBondContact O-N 3.27Å
198S91.9Very high91.4Very high1 Ų150 Ų501%0.00727%0.265CS..Hα-helixtrans-64.1-37.6177.479.70000112.7R33 E144 V194 S195 L201 S202R33-S198 VanDerWaalsContact NH2-CB 3.33Å; R33-S198 PolarHBondContact NH2-OG 2.72Å; E144-S198 PolarHBondContact OE1-OG 3.38Å; E144-S198 VanDerWaalsContact OE1-OG 3.11Å; V194-S198 WeakPolarHBondContact O-CB 3.24Å; V194-S198 PolarHBondContact O-N 2.83Å; V194-S198 PolarHBondContact O-OG 2.75Å; S195-S198 PolarHBondContact O-N 2.92Å; S195-S198 PolarHBondContact O-OG 3.5Å; S198-L201 PolarHBondContact O-N 3.07Å; S198-S202 WeakPolarHBondContact O-CB 3.39Å; S198-S202 PolarHBondContact O-N 2.76Å; S198-S202 PolarHBondContact O-OG 3Å
199L93.6Very high90.9Very high36 Ų3651.2 Ų51.219%0.18827%0.271CS..Hα-helixtrans-65.1-46.5176.2176.662.7000109.9T141 E144 V145 I148 S195 G196 V197 L201 S202 V203T141-L199 HydrophobicContact CG2-CD1 3.65Å; E144-L199 HydrophobicContact CB-CD1 4.36Å; E144-L199 HydrophobicContact CG-CB 4.13Å; E144-L199 HydrophobicContact CG-CD1 4.48Å; V145-L199 HydrophobicContact CG2-CD1 3.62Å; V145-L199 HydrophobicContact CG2-CD2 3.75Å; V145-L199 HydrophobicContact CG2-CG 4.35Å; I148-L199 HydrophobicContact CD1-CB 4.44Å; I148-L199 HydrophobicContact CD1-CD2 3.99Å; S195-L199 WeakPolarHBondContact O-CB 3.24Å; S195-L199 PolarHBondContact O-N 3.3Å; G196-L199 PolarHBondContact O-N 3.13Å; V197-L199 VanDerWaalsContact C-N 3.32Å; V197-L199 PolarHBondContact O-N 3.11Å; L199-L201 PolarHBondContact O-N 2.75Å; L199-S202 PolarHBondContact O-N 2.95Å; L199-V203 HydrophobicContact CD1-CG2 4.25Å; L199-V203 WeakPolarHBondContact O-CG2 3.34Å; L199-V203 PolarHBondContact O-N 3.2Å
200L93.1Very high90.3Very high102 Ų10250.3 Ų50.353%0.53427%0.271SS..Hα-helixtrans-57.8-48.3176.5179.264.7000111.3G196 V197 S202 V203 L204G196-L200 WeakPolarHBondContact O-CB 3.32Å; G196-L200 PolarHBondContact O-N 2.93Å; V197-L200 PolarHBondContact O-N 3.26Å; L200-S202 VanDerWaalsContact C-N 3.32Å; L200-S202 PolarHBondContact O-N 3.44Å; L200-V203 PolarHBondContact O-N 3.45Å; L200-L204 HydrophobicContact CD1-CD1 4.32Å; L200-L204 HydrophobicContact CD1-CG 4.28Å; L200-L204 HydrophobicContact CG-CD1 4.06Å; L200-L204 HydrophobicContact CG-CG 4.42Å; L200-L204 WeakPolarHBondContact O-CB 3.31Å; L200-L204 VanDerWaalsContact O-CG 3.26Å; L200-L204 WeakPolarHBondContact O-CG 2.93Å; L200-L204 PolarHBondContact O-N 3.11Å
201L90.7Very high89.7Confident38 Ų3854.8 Ų54.820%0.19929%0.286CS..Hα-helixtrans-60.8-41.5177.2-70.8174.3000112W25 L26 L29 V197 S198 L199 L204 E205W25-L201 HydrophobicContact CB-CD1 3.71Å; L26-L201 HydrophobicContact CD2-CB 3.94Å; L26-L201 HydrophobicContact CD2-CD1 4.33Å; L26-L201 HydrophobicContact CG-CB 4.34Å; L29-L201 HydrophobicContact CD1-CD1 3.63Å; V197-L201 HydrophobicContact CG1-CD1 4.23Å; V197-L201 HydrophobicContact CG1-CG 4.49Å; V197-L201 WeakPolarHBondContact O-CG 3.34Å; V197-L201 PolarHBondContact O-N 3.27Å; S198-L201 PolarHBondContact O-N 3.07Å; L199-L201 PolarHBondContact O-N 2.75Å; L201-L204 PolarHBondContact O-N 3Å; L201-E205 WeakPolarHBondContact O-CB 3.4Å; L201-E205 PolarHBondContact O-N 3.44Å
202S89.9Confident89.1Confident2 Ų258.8 Ų58.81%0.01430%0.304CS..Hα-helixtrans-64.6-39.8177.3-56.40000112S198 L199 L200 L206S198-S202 WeakPolarHBondContact O-CB 3.39Å; S198-S202 PolarHBondContact O-N 2.76Å; S198-S202 PolarHBondContact O-OG 3Å; L199-S202 PolarHBondContact O-N 2.95Å; L200-S202 VanDerWaalsContact C-N 3.32Å; L200-S202 PolarHBondContact O-N 3.44Å; S202-L206 WeakPolarHBondContact O-CB 3.39Å; S202-L206 PolarHBondContact O-N 2.93Å
203V90.6Very high88.4Confident68 Ų6858.9 Ų58.941%0.41231%0.308SS..Hα-helixtrans-69.3-41.4176170.90000111.4T141 L199 L200 E205 L206 Y207T141-V203 HydrophobicContact CG2-CG2 4.01Å; L199-V203 HydrophobicContact CD1-CG2 4.25Å; L199-V203 WeakPolarHBondContact O-CG2 3.34Å; L199-V203 PolarHBondContact O-N 3.2Å; L200-V203 PolarHBondContact O-N 3.45Å; V203-E205 VanDerWaalsContact C-N 3.32Å; V203-E205 PolarHBondContact O-N 3.2Å; V203-L206 PolarHBondContact O-N 3.25Å; V203-Y207 VanDerWaalsContact O-CB 3.29Å; V203-Y207 WeakPolarHBondContact O-CB 3.38Å; V203-Y207 PolarHBondContact O-N 3.05Å
204L90.1Very high87.6Confident92 Ų9259.8 Ų59.848%0.48231%0.309SS..Hα-helixtrans-63-40.4175.9-72.9174.2000111.5L200 L201 Y207 H208L200-L204 HydrophobicContact CD1-CD1 4.32Å; L200-L204 HydrophobicContact CD1-CG 4.28Å; L200-L204 HydrophobicContact CG-CD1 4.06Å; L200-L204 HydrophobicContact CG-CG 4.42Å; L200-L204 WeakPolarHBondContact O-CB 3.31Å; L200-L204 VanDerWaalsContact O-CG 3.26Å; L200-L204 WeakPolarHBondContact O-CG 2.93Å; L200-L204 PolarHBondContact O-N 3.11Å; L201-L204 PolarHBondContact O-N 3Å; L204-Y207 PolarHBondContact O-N 3.49Å; L204-H208 WeakPolarHBondContact O-CB 3.12Å; L204-H208 PolarHBondContact O-N 3.15Å
205E86.9Confident87Confident25 Ų2566.4 Ų66.412%0.11734%0.337CS..Hα-helixtrans-62.7-47.7174.3-173.5174.1-172.600111.3Y133 I137 L201 V203 Y207 H208 L209Y133-E205 VanDerWaalsContact CZ-OE1 3.31Å; Y133-E205 PolarHBondContact OH-OE1 2.99Å; I137-E205 HydrophobicContact CD1-CG 3.96Å; L201-E205 WeakPolarHBondContact O-CB 3.4Å; L201-E205 PolarHBondContact O-N 3.44Å; V203-E205 VanDerWaalsContact C-N 3.32Å; V203-E205 PolarHBondContact O-N 3.2Å; E205-Y207 VanDerWaalsContact C-N 3.34Å; E205-Y207 PolarHBondContact O-N 3.02Å; E205-H208 PolarHBondContact O-N 3.23Å; E205-L209 HydrophobicContact CG-CD1 4.12Å; E205-L209 WeakPolarHBondContact O-CB 3.15Å; E205-L209 WeakPolarHBondContact O-CD1 3.49Å; E205-L209 VanDerWaalsContact O-CG 3.26Å; E205-L209 WeakPolarHBondContact O-CG 3.09Å; E205-L209 PolarHBondContact O-N 3.46Å
206L86.6Confident86.2Confident49 Ų4970 Ų7026%0.25735%0.353SS..Hα-helixtrans-60.9-41.8175.5-174.862.8000112I134 I137 S202 V203 L209 G210I134-L206 HydrophobicContact CG2-CD1 4.14Å; I137-L206 HydrophobicContact CG2-CB 4.08Å; I137-L206 HydrophobicContact CG2-CD1 4.45Å; S202-L206 WeakPolarHBondContact O-CB 3.39Å; S202-L206 PolarHBondContact O-N 2.93Å; V203-L206 PolarHBondContact O-N 3.25Å; L206-L209 PolarHBondContact O-N 3.42Å; L206-G210 PolarHBondContact O-N 2.94Å
207Y87.1Confident85.3Confident152 Ų15271.5 Ų71.560%0.59636%0.357SS*.Hα-helixtrans-64.3-46.3177.7177-100.5000111.7V203 L204 E205 L209 G210 W211V203-Y207 VanDerWaalsContact O-CB 3.29Å; V203-Y207 WeakPolarHBondContact O-CB 3.38Å; V203-Y207 PolarHBondContact O-N 3.05Å; L204-Y207 PolarHBondContact O-N 3.49Å; E205-Y207 VanDerWaalsContact C-N 3.34Å; E205-Y207 PolarHBondContact O-N 3.02Å; Y207-L209 PolarHBondContact O-N 3.35Å; Y207-G210 PolarHBondContact O-N 3.29Å; Y207-W211 WeakPolarHBondContact O-CB 3.4Å; Y207-W211 PolarHBondContact O-N 3.35Å
208H84.8Confident84.7Confident126 Ų12672.4 Ų72.458%0.58336%0.362SS*.Hα-helixtrans-60.7-44.4178-178.5-99.6000111.6L204 E205 K212L204-H208 WeakPolarHBondContact O-CB 3.12Å; L204-H208 PolarHBondContact O-N 3.15Å; E205-H208 PolarHBondContact O-N 3.23Å; H208-K212 PolarHBondContact O-N 3.48Å; H208-K212 VanDerWaalsContact O-N 3.16Å
209L82.8Confident84.2Confident29 Ų2978.3 Ų78.315%0.15238%0.384CS..Hα-helixtrans-68-40.6176.6-67.5166.4000112.5Y133 I137 E205 L206 Y207 K212 S213Y133-L209 HydrophobicContact CD1-CD1 3.98Å; Y133-L209 HydrophobicContact CE1-CD1 3.41Å; Y133-L209 VanDerWaalsContact CE1-CD1 3.41Å; Y133-L209 HydrophobicContact CE1-CD2 4.22Å; Y133-L209 HydrophobicContact CE1-CG 4.45Å; I137-L209 HydrophobicContact CD1-CD1 3.77Å; E205-L209 HydrophobicContact CG-CD1 4.12Å; E205-L209 WeakPolarHBondContact O-CB 3.15Å; E205-L209 WeakPolarHBondContact O-CD1 3.49Å; E205-L209 VanDerWaalsContact O-CG 3.26Å; E205-L209 WeakPolarHBondContact O-CG 3.09Å; E205-L209 PolarHBondContact O-N 3.46Å; L206-L209 PolarHBondContact O-N 3.42Å; Y207-L209 PolarHBondContact O-N 3.35Å; L209-K212 PolarHBondContact O-N 3.16Å; L209-S213 WeakPolarHBondContact O-CB 3.44Å; L209-S213 PolarHBondContact O-N 3.31Å; L209-S213 PolarHBondContact O-OG 3.17Å
210G80.6Confident83.4Confident28 Ų2881.2 Ų81.229%0.28940%0.4SS..Hα-helixtrans-62.3-47.6176.600000111.8L206 Y207 K212 S213 I214L206-G210 PolarHBondContact O-N 2.94Å; Y207-G210 PolarHBondContact O-N 3.29Å; G210-K212 PolarHBondContact O-N 3.43Å; G210-S213 PolarHBondContact O-N 2.89Å; G210-I214 WeakPolarHBondContact O-CB 3.02Å; G210-I214 VanDerWaalsContact O-CG1 3.25Å; G210-I214 WeakPolarHBondContact O-CG1 3.44Å; G210-I214 PolarHBondContact O-N 3.5Å
211W80.7Confident82.7Confident158 Ų15883.2 Ų83.260%0.59840%0.404SS*.Hα-helixtrans-59-46.9176.7-176.7-97.3000112.1Y207 S213 I214 K215Y207-W211 WeakPolarHBondContact O-CB 3.4Å; Y207-W211 PolarHBondContact O-N 3.35Å; W211-S213 VanDerWaalsContact C-N 3.32Å; W211-S213 PolarHBondContact O-N 2.96Å; W211-I214 PolarHBondContact O-N 3.13Å; W211-K215 WeakPolarHBondContact O-CB 3.24Å; W211-K215 PolarHBondContact O-N 2.93Å
212K79.3Confident82.2Confident87 Ų8784.8 Ų84.838%0.37842%0.416SS..Hα-helixtrans-61.7-40.8177-168.4169.8-175.7168.80111.5H208 L209 G210 K216H208-K212 PolarHBondContact O-N 3.48Å; H208-K212 VanDerWaalsContact O-N 3.16Å; L209-K212 PolarHBondContact O-N 3.16Å; G210-K212 PolarHBondContact O-N 3.43Å; K212-K216 WeakPolarHBondContact O-CG 3.35Å; K212-K216 PolarHBondContact O-N 3.3Å
213S77.6Confident81.5Confident47 Ų4789.2 Ų89.233%0.32944%0.439SS..Hα-helixtrans-67.7-42.7179-58.70000112.3L209 G210 W211 K216 C217L209-S213 WeakPolarHBondContact O-CB 3.44Å; L209-S213 PolarHBondContact O-N 3.31Å; L209-S213 PolarHBondContact O-OG 3.17Å; G210-S213 PolarHBondContact O-N 2.89Å; W211-S213 VanDerWaalsContact C-N 3.32Å; W211-S213 PolarHBondContact O-N 2.96Å; S213-K216 PolarHBondContact O-N 2.98Å; S213-C217 WeakPolarHBondContact O-CB 3.42Å; S213-C217 PolarHBondContact O-N 2.92Å
214I78.5Confident80.6Confident107 Ų10792.3 Ų92.355%0.54945%0.449SS..Hα-helixtrans-63.9-46176.1-67.9165000110.2G210 W211 K216 C217 V218G210-I214 WeakPolarHBondContact O-CB 3.02Å; G210-I214 VanDerWaalsContact O-CG1 3.25Å; G210-I214 WeakPolarHBondContact O-CG1 3.44Å; G210-I214 PolarHBondContact O-N 3.5Å; W211-I214 PolarHBondContact O-N 3.13Å; I214-K216 VanDerWaalsContact C-N 3.35Å; I214-K216 PolarHBondContact O-N 3.19Å; I214-C217 WeakPolarHBondContact O-CB 3.49Å; I214-C217 PolarHBondContact O-N 3.38Å; I214-C217 VanDerWaalsContact O-N 3.11Å; I214-V218 HydrophobicContact CG2-CG2 4.24Å; I214-V218 WeakPolarHBondContact O-CG2 3.46Å; I214-V218 PolarHBondContact O-N 3.45Å
215K81.6Confident80Confident148 Ų14894.4 Ų94.464%0.64345%0.454SS*.Hα-helixtrans-60.9-41.8178.3-165.9177.2-178.1-178.70112W211 R219W211-K215 WeakPolarHBondContact O-CB 3.24Å; W211-K215 PolarHBondContact O-N 2.93Å; K215-R219 WeakPolarHBondContact O-CB 3.25Å; K215-R219 PolarHBondContact O-N 2.96Å
216K75.4Confident79.3Confident78 Ų7897.5 Ų97.534%0.33947%0.472SS..Hα-helixtrans-60.8-44.4172.5-75.7-175.8177.5-167.30111.3K212 S213 I214 R219 N220 E306K212-K216 WeakPolarHBondContact O-CG 3.35Å; K212-K216 PolarHBondContact O-N 3.3Å; S213-K216 PolarHBondContact O-N 2.98Å; I214-K216 VanDerWaalsContact C-N 3.35Å; I214-K216 PolarHBondContact O-N 3.19Å; K216-R219 PolarHBondContact O-N 3.13Å; K216-N220 PolarHBondContact O-N 3.37Å; K216-N220 VanDerWaalsContact O-N 3.08Å; K216-E306 IonicContact NZ-OE1 2.91Å; K216-E306 PolarHBondContact NZ-OE1 3.38Å; K216-E306 VanDerWaalsContact NZ-OE1 3.14Å
217C75.1Confident78.5Confident64 Ų64100.4 Ų100.443%0.43249%0.487SS..Hα-helixtrans-64.5-44179-1650000112.5S213 I214 N220 K221S213-C217 WeakPolarHBondContact O-CB 3.42Å; S213-C217 PolarHBondContact O-N 2.92Å; I214-C217 WeakPolarHBondContact O-CB 3.49Å; I214-C217 PolarHBondContact O-N 3.38Å; I214-C217 VanDerWaalsContact O-N 3.11Å; C217-N220 PolarHBondContact O-N 3.46Å; C217-K221 WeakPolarHBondContact O-CG 3.37Å; C217-K221 PolarHBondContact O-N 2.87Å
218V82.7Confident77.5Confident84 Ų8499.4 Ų99.451%0.50949%0.488SS..Hα-helixtrans-63.2-46177.5173.20000110.9I214 N220 K221 T222I214-V218 HydrophobicContact CG2-CG2 4.24Å; I214-V218 WeakPolarHBondContact O-CG2 3.46Å; I214-V218 PolarHBondContact O-N 3.45Å; V218-N220 VanDerWaalsContact C-N 3.33Å; V218-N220 PolarHBondContact O-N 3.3Å; V218-K221 PolarHBondContact O-N 2.02Å; V218-T222 PolarHBondContact O-N 2.94Å; V218-T222 PolarHBondContact O-OG1 3.28Å; V218-T222 VanDerWaalsContact O-OG1 3.06Å
219R79.7Confident76.8Confident124 Ų12499.6 Ų99.647%0.46849%0.487SS..Hα-helixtrans-59-43.3176.8-173.6170.664.6163.61.2111.9K215 K216 T222 L223K215-R219 WeakPolarHBondContact O-CB 3.25Å; K215-R219 PolarHBondContact O-N 2.96Å; K216-R219 PolarHBondContact O-N 3.13Å; R219-T222 PolarHBondContact O-N 2.95Å; R219-L223 HydrophobicContact CG-CD1 4.33Å; R219-L223 PolarHBondContact O-N 2.03Å
220N77.3Confident76Confident98 Ų98101 Ų10152%0.52450%0.503SS..Hα-helixtrans-65.9-41.3177.6-74.30.4000112.3K216 C217 V218 T222 L223 Q224K216-N220 PolarHBondContact O-N 3.37Å; K216-N220 VanDerWaalsContact O-N 3.08Å; C217-N220 PolarHBondContact O-N 3.46Å; V218-N220 VanDerWaalsContact C-N 3.33Å; V218-N220 PolarHBondContact O-N 3.3Å; N220-T222 VanDerWaalsContact C-N 3.34Å; N220-T222 PolarHBondContact O-N 3.35Å; N220-L223 PolarHBondContact O-N 3.13Å; N220-Q224 WeakPolarHBondContact O-CB 3.35Å; N220-Q224 PolarHBondContact O-N 2.97Å
221K79.1Confident75.3Confident143 Ų143103.9 Ų103.962%0.62252%0.515SS*.Hα-helixtrans-63.3-38.2174.6-74.9-175.2178.5-1760112.1C217 V218 Q224 K225C217-K221 WeakPolarHBondContact O-CG 3.37Å; C217-K221 PolarHBondContact O-N 2.87Å; V218-K221 PolarHBondContact O-N 2.02Å; K221-Q224 PolarHBondContact O-N 3.44Å; K221-K225 WeakPolarHBondContact O-CB 3.43Å; K221-K225 PolarHBondContact O-N 3.19Å
222T79.6Confident74.3Confident71 Ų71100.3 Ų100.344%0.43651%0.51SS..Hα-helixtrans-66.4-43.2175.7-57.50000111.9V218 R219 N220 K225 N226V218-T222 PolarHBondContact O-N 2.94Å; V218-T222 PolarHBondContact O-OG1 3.28Å; V218-T222 VanDerWaalsContact O-OG1 3.06Å; R219-T222 PolarHBondContact O-N 2.95Å; N220-T222 VanDerWaalsContact C-N 3.34Å; N220-T222 PolarHBondContact O-N 3.35Å; T222-K225 PolarHBondContact O-N 3.38Å; T222-N226 PolarHBondContact O-N 3.36Å
223L74.8Confident73.4Confident96 Ų96100.5 Ų100.550%0.50352%0.519SS..Hα-helixtrans-61.7-43.4174.1-77.6165.4000111.8R219 N220 K225 N226 N227R219-L223 HydrophobicContact CG-CD1 4.33Å; R219-L223 PolarHBondContact O-N 2.03Å; N220-L223 PolarHBondContact O-N 3.13Å; L223-K225 VanDerWaalsContact C-N 3.34Å; L223-K225 PolarHBondContact O-N 2.9Å; L223-N226 PolarHBondContact O-N 2.89Å; L223-N227 PolarHBondContact O-N 3.47Å
224Q73.6Confident72.6Confident133 Ų133101.1 Ų101.162%0.62153%0.527SS*.Hα-helixtrans-64.4-39177-138.7-179.524.200111.9N220 K221 N227 H228N220-Q224 WeakPolarHBondContact O-CB 3.35Å; N220-Q224 PolarHBondContact O-N 2.97Å; K221-Q224 PolarHBondContact O-N 3.44Å; Q224-N227 PolarHBondContact O-N 3.33Å; Q224-H228 PolarHBondContact O-N 3.2Å
225K76.6Confident71.7Confident135 Ų135100.4 Ų100.459%0.58753%0.527SS*.Hα-helixtrans-66-38.7175.2-170.8175.7-177.9176.90112.2K221 T222 L223 K229K221-K225 WeakPolarHBondContact O-CB 3.43Å; K221-K225 PolarHBondContact O-N 3.19Å; T222-K225 PolarHBondContact O-N 3.38Å; L223-K225 VanDerWaalsContact C-N 3.34Å; L223-K225 PolarHBondContact O-N 2.9Å; K225-K229 WeakPolarHBondContact O-CG 3.34Å; K225-K229 PolarHBondContact O-N 2.88Å
226N71.7Confident70.5Confident91 Ų9196.7 Ų96.749%0.48752%0.52SS..Hα-helixtrans-69.4-40.5175.6-76-1.3000111.9T222 L223 K229 A230T222-N226 PolarHBondContact O-N 3.36Å; L223-N226 PolarHBondContact O-N 2.89Å; N226-K229 PolarHBondContact O-N 3.29Å; N226-A230 WeakPolarHBondContact O-CB 3.29Å; N226-A230 PolarHBondContact O-N 3.47Å
227N70Confident69.6Low110 Ų11097.2 Ų97.259%0.58853%0.53SS*.Hα-helixtrans-63.6-42.9173.1-81.6-3.7000112.1L223 Q224 K229 A230 V231L223-N227 PolarHBondContact O-N 3.47Å; Q224-N227 PolarHBondContact O-N 3.33Å; N227-K229 VanDerWaalsContact C-N 3.34Å; N227-K229 PolarHBondContact O-N 3.36Å; N227-A230 PolarHBondContact O-N 3.24Å; N227-V231 VanDerWaalsContact O-CG2 3.29Å; N227-V231 WeakPolarHBondContact O-CG2 3.41Å; N227-V231 PolarHBondContact O-N 2.93Å
228H66.4Low68.5Low131 Ų13196.4 Ų96.461%0.60653%0.532SS*.Hα-helixtrans-62.2-40175-106.3-80.6000112.4Q224 T232Q224-H228 PolarHBondContact O-N 3.2Å; H228-T232 WeakPolarHBondContact O-CB 3.13Å; H228-T232 PolarHBondContact O-N 3.25Å; H228-T232 PolarHBondContact O-OG1 3.41Å
229K69.3Low66.9Low129 Ų12998.9 Ų98.956%0.56154%0.542SS*.Hα-helixtrans-65.1-43.4173.8-79.3-176.6174-171.30112.1K225 N226 N227 V231 T232 V233K225-K229 WeakPolarHBondContact O-CG 3.34Å; K225-K229 PolarHBondContact O-N 2.88Å; N226-K229 PolarHBondContact O-N 3.29Å; N227-K229 VanDerWaalsContact C-N 3.34Å; N227-K229 PolarHBondContact O-N 3.36Å; K229-V231 PolarHBondContact O-N 3.49Å; K229-T232 PolarHBondContact O-N 2.8Å; K229-V233 VanDerWaalsContact O-CG2 3.3Å; K229-V233 WeakPolarHBondContact O-CG2 3.25Å; K229-V233 PolarHBondContact O-N 3.24Å
230A65.9Low65.1Low60 Ų60101.1 Ų101.150%0.49656%0.557SS.*Hα-helixtrans-62.2-42.1177.100000112.3N226 N227 V233 A234N226-A230 WeakPolarHBondContact O-CB 3.29Å; N226-A230 PolarHBondContact O-N 3.47Å; N227-A230 PolarHBondContact O-N 3.24Å; A230-V233 PolarHBondContact O-N 3.5Å; A230-A234 WeakPolarHBondContact O-CB 3.46Å; A230-A234 PolarHBondContact O-N 3.48Å
231V66.4Low63.3Low88 Ų88101.7 Ų101.753%0.53357%0.569SS.*Hα-helixtrans-65.2-41.7175172.70000111.4N227 K229 V233 A234 V235N227-V231 VanDerWaalsContact O-CG2 3.29Å; N227-V231 WeakPolarHBondContact O-CG2 3.41Å; N227-V231 PolarHBondContact O-N 2.93Å; K229-V231 PolarHBondContact O-N 3.49Å; V231-V233 PolarHBondContact O-N 3.25Å; V231-A234 PolarHBondContact O-N 2.91Å; V231-V235 HydrophobicContact CG1-CG2 4.39Å; V231-V235 VanDerWaalsContact O-CG2 3.28Å; V231-V235 WeakPolarHBondContact O-CG2 3.09Å; V231-V235 PolarHBondContact O-N 3Å
232T61.1Low61.4Low82 Ų8299.8 Ų99.850%0.50357%0.574SS.*Hα-helixtrans-66.3-38.1179.3-50.60000111.9H228 K229 S236H228-T232 WeakPolarHBondContact O-CB 3.13Å; H228-T232 PolarHBondContact O-N 3.25Å; H228-T232 PolarHBondContact O-OG1 3.41Å; K229-T232 PolarHBondContact O-N 2.8Å; T232-S236 PolarHBondContact O-N 3.31Å; T232-S236 VanDerWaalsContact O-N 3.13Å; T232-S236 PolarHBondContact O-OG 3.42Å
233V60.4Low59Low92 Ų92105.7 Ų105.756%0.55859%0.594SS**Hα-helixtrans-68.5-42.2175173.90000111.1K229 A230 V231 V235 S236 T237K229-V233 VanDerWaalsContact O-CG2 3.3Å; K229-V233 WeakPolarHBondContact O-CG2 3.25Å; K229-V233 PolarHBondContact O-N 3.24Å; A230-V233 PolarHBondContact O-N 3.5Å; V231-V233 PolarHBondContact O-N 3.25Å; V233-V235 PolarHBondContact O-N 2.91Å; V233-S236 PolarHBondContact O-N 3.11Å; V233-T237 PolarHBondContact O-N 3.46Å; V233-T237 PolarHBondContact O-OG1 2.87Å
234A59.6Low57.4Low60 Ų60109.5 Ų109.550%0.49661%0.608SS.*Hα-helixtrans-65.3-34.6176.900000113.5A230 V231 T237 G238A230-A234 WeakPolarHBondContact O-CB 3.46Å; A230-A234 PolarHBondContact O-N 3.48Å; V231-A234 PolarHBondContact O-N 2.91Å; A234-T237 PolarHBondContact O-OG1 3.49Å; A234-G238 PolarHBondContact O-N 3.5Å; A234-G238 VanDerWaalsContact O-N 3.08Å
235V58.8Low55.5Low91 Ų91110.2 Ų110.255%0.55261%0.612SS**Hα-helixtrans-71-35.1174.91700000111.4V231 V233 G238 L239V231-V235 HydrophobicContact CG1-CG2 4.39Å; V231-V235 VanDerWaalsContact O-CG2 3.28Å; V231-V235 WeakPolarHBondContact O-CG2 3.09Å; V231-V235 PolarHBondContact O-N 3Å; V233-V235 PolarHBondContact O-N 2.91Å; V235-G238 PolarHBondContact O-N 3.45Å; V235-L239 PolarHBondContact O-N 2.99Å
236S58.2Low53.3Low70 Ų70112.5 Ų112.549%0.4963%0.625SS.*Hα-helixtrans-70.9-40.1178.2-54.30000112T232 V233 G238 L239 E240T232-S236 PolarHBondContact O-N 3.31Å; T232-S236 VanDerWaalsContact O-N 3.13Å; T232-S236 PolarHBondContact O-OG 3.42Å; V233-S236 PolarHBondContact O-N 3.11Å; S236-G238 VanDerWaalsContact C-N 3.34Å; S236-L239 PolarHBondContact O-N 3.42Å; S236-E240 PolarHBondContact O-N 2.92Å
237T56.2Low51.6Low90 Ų90114 Ų11455%0.55264%0.639SS**Hα-helixtrans-72.9-25.4174.853.60000113V233 A234V233-T237 PolarHBondContact O-N 3.46Å; V233-T237 PolarHBondContact O-OG1 2.87Å; A234-T237 PolarHBondContact O-OG1 3.49Å
238G52.3Low49.8Very low47 Ų47114.2 Ų114.249%0.48565%0.649SS.*Hα-helixtrans-70.5-29.7170.100000113.9A234 V235 S236A234-G238 PolarHBondContact O-N 3.5Å; A234-G238 VanDerWaalsContact O-N 3.08Å; V235-G238 PolarHBondContact O-N 3.45Å; S236-G238 VanDerWaalsContact C-N 3.34Å
239L49Very low48.2Very low136 Ų136112.6 Ų112.671%0.71266%0.659SS**Hα-helixtrans-77-23.9178.2-128.984.8000113.1V235 S236 S241V235-L239 PolarHBondContact O-N 2.99Å; S236-L239 PolarHBondContact O-N 3.42Å; L239-S241 VanDerWaalsContact C-N 3.32Å
240E40.7Very low46.3Very low170 Ų170111.8 Ų111.879%0.79467%0.669SS**THydrogen-bonded Turntrans-78.5-14.3177-120.8173.6135.800113.5S236 S242S236-E240 PolarHBondContact O-N 2.92Å; E240-S242 VanDerWaalsContact C-N 3.34Å
241S40.7Very low44.5Very low111 Ų111115 Ų11578%0.77669%0.686SS**THydrogen-bonded Turntrans-87.96173.3-168.20000114.1L239L239-S241 VanDerWaalsContact C-N 3.32Å
242S37.8Very low43.1Very low102 Ų102117.3 Ų117.371%0.71370%0.701SS**  trans-121.150.9178.4-147.40000112.7E240E240-S242 VanDerWaalsContact C-N 3.34Å
243K30.8Very low42.2Very low196 Ų196118.9 Ų118.985%0.85271%0.712SS**  trans-126.679.8159.1-94.4-173.5177.3178.50109.8
244H41.1Very low41.3Very low175 Ų175120 Ų12081%0.8172%0.722SS**  trans-143136.4152.4-120.441.9000112.5
245Q33.2Very low41.2Very low148 Ų148122.8 Ų122.869%0.69274%0.735SS**  trans58.5118.2162.8-106.574.2-300120.4
246Q29.8Very low39.8Very low184 Ų184126.4 Ų126.486%0.8675%0.751SS**  trans-105.7125.6158.3-173.8160.9-24.100108.2
247P37Very low38.9Very low122 Ų122131.9 Ų131.979%0.79277%0.766SS**  trans-111.1130.2166.933.5-21.7000111
248S32.3Very low37.9Very low115 Ų115133.8 Ų133.880%0.80477%0.773SS**  trans-133.1124.5161.656.10000109.2
249A32.8Very low37Very low97 Ų97140 Ų14080%0.80279%0.79SS**  trans-71.5150.8-173.700000114.1
250S27.6Very low36.2Very low111 Ų111138.8 Ų138.878%0.77679%0.791SS**  165.3150.8108.648.70000113.5
251C29Very low35.9Very low128 Ų128137.8 Ų137.887%0.86579%0.79SS**  trans90.9100.9167.7-59.50000119.2
252T36.4Very low35.3Very low137 Ų137139.2 Ų139.284%0.8480%0.795SS**  trans-74.5164.6146.840.80000110.1
253P42.2Very low35.1Very low114 Ų114138.7 Ų138.774%0.7480%0.797SS**  cis-143.6-155.733.442.6-20.8000113.9
254P42.2Very low35.6Very low117 Ų117135 Ų13576%0.7679%0.793SS**  cis-119-173.6-30.4223.4000112
255P56.7Low35.1Very low117 Ų117138.6 Ų138.676%0.7680%0.799SS**  trans-93.6161.9-159.638-31.4000113.5
256D30.6Very low34.9Very low168 Ų168137.5 Ų137.590%0.89881%0.808SS**  trans-138.1138.8155.5-126.9-18.5000112.6
257F38.9Very low35Very low185 Ų185136.7 Ų136.781%0.81181%0.806SS**  trans-79.8173.8-177.8-120.6-108.6000110.2
258D34.7Very low34.8Very low130 Ų130137.9 Ų137.970%0.69581%0.806SS**  trans84.9104.9171.6-54.8-26.7000117.1
259Q34.7Very low35.6Very low178 Ų178138 Ų13883%0.83280%0.803SS**  -176.3102.489.4-149.385.932.200108.9
260C31.2Very low35.4Very low109 Ų109141.5 Ų141.574%0.73681%0.805SS**  trans-79.1152.6160.9-151.30000108.7
261L34.1Very low35.5Very low149 Ų149142 Ų14278%0.7880%0.804SS**  trans83.5109.1165.6-50.7167.8000117
262T28.7Very low35.6Very low142 Ų142140.6 Ų140.687%0.87180%0.796SS**  -178.5119.2101.828.20000111.4
263A33.7Very low35.4Very low91 Ų91141.8 Ų141.875%0.75280%0.795SS**  trans-92154144.500000106.9
264P39.9Very low35.1Very low119 Ų119140.1 Ų140.177%0.77379%0.791SS**  -150.5149.385.334.8-14.6000117.6
265R32Very low34.8Very low250 Ų250140.2 Ų140.294%0.94379%0.794SS**  trans38.4124144-77.7179.6169.3156.4-2.7121.8
266S28.4Very low34.1Very low125 Ų125142.4 Ų142.487%0.87479%0.794SS**  -146146.3128.6-177.30000110
267M31.1Very low34.8Very low166 Ų166140 Ų14082%0.81879%0.788SS**  trans-83.2155.1-166.3-82.5176.1139.500114.7
268N34.1Very low35.1Very low148 Ų148139.1 Ų139.179%0.79178%0.784SS**  trans100.8150.6146.5-75.10.3000120.9
269P48.7Very low36Very low116 Ų116139.1 Ų139.175%0.75378%0.784SS**  -118.6-176-125.143.7-35.7000115
270M28.5Very low37Very low171 Ų171136.5 Ų136.584%0.84278%0.78SS**  trans96.8106160.1-155.4168.7174.100115.1
271T29.5Very low38.1Very low123 Ų123141 Ų14176%0.75578%0.782SS**  168.3140.811434.40000113.4
272S31.5Very low39.2Very low98 Ų98140 Ų14069%0.68578%0.775SS**  trans66.7104150.164.70000122.6
273I32.6Very low40.7Very low161 Ų161135.7 Ų135.783%0.82675%0.753SS**  68.1105.5116.3-59.5157.1000117.1
274A34.6Very low42.2Very low79 Ų79137.6 Ų137.665%0.65375%0.75SS**  trans-64.2130.2162.100000111.5
275S36.3Very low43.4Very low119 Ų119138 Ų13883%0.83274%0.742SS**  trans-84.3114.3172.743.70000110.8
276H41.3Very low44.9Very low164 Ų164132.2 Ų132.276%0.75973%0.725SS**  trans-94.3136.7174.4-82.5-74.6000111.9F278H276-F278 PolarHBondContact O-N 3.38Å
277P45.4Very low46.7Very low117 Ų117131.8 Ų131.876%0.7671%0.713SS**  trans-9453.7-17937.9-34.6000112.8
278F45.3Very low48.4Very low167 Ų167127.2 Ų127.273%0.73270%0.697SS**  trans-131.682.3179.2-90.1-87.7000111.1H276H276-F278 PolarHBondContact O-N 3.38Å
279N54.9Low49.7Very low129 Ų129122.6 Ų122.669%0.6968%0.68SS**SBendtrans-148.3-20.3166.5-131-18.4000114.4A283N279-A283 WeakPolarHBondContact O-CB 3.25Å; N279-A283 PolarHBondContact O-N 3.17Å
280T55.5Low50.5Low123 Ų123121.1 Ų121.176%0.75567%0.666SS**Hα-helixtrans-74-33.6-173.6-29.30000113.5L284T280-L284 PolarHBondContact O-N 2.95Å
281R53.6Low52.3Low205 Ų205117.5 Ų117.577%0.77465%0.649SS**Hα-helixtrans-76.4-39.4-175.7-166.8176.2178.7153.70.3112.9L284 Q285R281-L284 PolarHBondContact O-N 3.21Å; R281-Q285 WeakPolarHBondContact O-CB 3.35Å; R281-Q285 PolarHBondContact O-N 3.03Å; R281-Q285 VanDerWaalsContact O-N 3.13Å
282M57.9Low53.4Low128 Ų128114.2 Ų114.263%0.63163%0.634SS**Hα-helixtrans-70-37.8177.4-62.8-160.5-139.200111.3Q285 Q286M282-Q285 PolarHBondContact O-N 2.94Å; M282-Q286 VanDerWaalsContact O-CB 3.31Å; M282-Q286 WeakPolarHBondContact O-CB 3.38Å; M282-Q286 PolarHBondContact O-N 2.84Å
283A60.7Low54.7Low51 Ų51113.4 Ų113.442%0.42163%0.625SS.*Hα-helixtrans-64-40175.100000112.8N279 Q286 N287N279-A283 WeakPolarHBondContact O-CB 3.25Å; N279-A283 PolarHBondContact O-N 3.17Å; A283-Q286 PolarHBondContact O-N 2.96Å; A283-N287 WeakPolarHBondContact O-CB 3.31Å; A283-N287 PolarHBondContact O-N 3.25Å
284L63.2Low55.7Low131 Ų131112.3 Ų112.369%0.68662%0.617SS**Hα-helixtrans-64.1-43.3175.2-169.284.1000111.4T280 R281 N287 S288T280-L284 PolarHBondContact O-N 2.95Å; R281-L284 PolarHBondContact O-N 3.21Å; L284-N287 PolarHBondContact O-N 2.84Å; L284-S288 WeakPolarHBondContact O-CB 3.34Å; L284-S288 PolarHBondContact O-N 2.74Å
285Q65.8Low56.5Low128 Ų128114.7 Ų114.760%0.59862%0.615SS**Hα-helixtrans-67.6-39.8179.8-166.9162.1-31.200111.4R281 M282 S288 A289R281-Q285 WeakPolarHBondContact O-CB 3.35Å; R281-Q285 PolarHBondContact O-N 3.03Å; R281-Q285 VanDerWaalsContact O-N 3.13Å; M282-Q285 PolarHBondContact O-N 2.94Å; Q285-S288 WeakPolarHBondContact CA-OG 3.08Å; Q285-S288 PolarHBondContact O-N 3.17Å; Q285-S288 PolarHBondContact O-OG 3.36Å; Q285-A289 WeakPolarHBondContact O-CB 3.49Å; Q285-A289 PolarHBondContact O-N 2.91Å
286Q63.4Low56.8Low127 Ų127115.5 Ų115.559%0.59361%0.605SS**Hα-helixtrans-68-39176-168.1165.3-3.800112.4M282 A283 S288 A289 N290M282-Q286 VanDerWaalsContact O-CB 3.31Å; M282-Q286 WeakPolarHBondContact O-CB 3.38Å; M282-Q286 PolarHBondContact O-N 2.84Å; A283-Q286 PolarHBondContact O-N 2.96Å; Q286-S288 VanDerWaalsContact C-N 3.34Å; Q286-A289 PolarHBondContact O-N 3.5Å; Q286-N290 WeakPolarHBondContact O-CB 3.49Å; Q286-N290 PolarHBondContact O-N 2.94Å
287N66.6Low56.6Low117 Ų117113.5 Ų113.563%0.62660%0.596SS**Hα-helixtrans-65-36.9171.7-89.9-9.8000112.4A283 L284 L291A283-N287 WeakPolarHBondContact O-CB 3.31Å; A283-N287 PolarHBondContact O-N 3.25Å; L284-N287 PolarHBondContact O-N 2.84Å; N287-L291 VanDerWaalsContact O-CB 3.32Å; N287-L291 WeakPolarHBondContact O-CB 3.29Å; N287-L291 PolarHBondContact O-N 2.97Å
288S66.8Low56Low69 Ų69110.9 Ų110.948%0.48358%0.58SS.*Hα-helixtrans-68.2-37.5176.173.80000112.5L284 Q285 Q286 A292L284-S288 WeakPolarHBondContact O-CB 3.34Å; L284-S288 PolarHBondContact O-N 2.74Å; Q285-S288 WeakPolarHBondContact CA-OG 3.08Å; Q285-S288 PolarHBondContact O-N 3.17Å; Q285-S288 PolarHBondContact O-OG 3.36Å; Q286-S288 VanDerWaalsContact C-N 3.34Å; S288-A292 WeakPolarHBondContact O-CB 3.12Å; S288-A292 PolarHBondContact O-N 2.05Å
289A61.3Low55.7Low52 Ų52106.4 Ų106.443%0.4357%0.569SS.*Hα-helixtrans-71.1-40.8176.800000111.7Q285 Q286 A292 T293Q285-A289 WeakPolarHBondContact O-CB 3.49Å; Q285-A289 PolarHBondContact O-N 2.91Å; Q286-A289 PolarHBondContact O-N 3.5Å; A289-A292 PolarHBondContact O-N 3.37Å; A289-T293 PolarHBondContact O-N 3.29Å; A289-T293 PolarHBondContact O-OG1 3.29Å
290N65.9Low54.8Low84 Ų84103.8 Ų103.845%0.44956%0.555SS.*Hα-helixtrans-65.2-37.5174.2-81.9-11.9000112.5Q286 A292 T293 E294Q286-N290 WeakPolarHBondContact O-CB 3.49Å; Q286-N290 PolarHBondContact O-N 2.94Å; N290-A292 VanDerWaalsContact C-N 3.35Å; N290-T293 VanDerWaalsContact CA-OG1 3.31Å; N290-T293 WeakPolarHBondContact CA-OG1 3.35Å; N290-T293 PolarHBondContact O-N 3.35Å; N290-T293 PolarHBondContact O-OG1 3.34Å; N290-E294 WeakPolarHBondContact O-CB 3.41Å; N290-E294 WeakPolarHBondContact O-CG 3.3Å; N290-E294 PolarHBondContact O-N 2.94Å
291L65.9Low53.6Low96 Ų96102.9 Ų102.950%0.50355%0.545SS..Hα-helixtrans-67.4-37.6175.2-173.366000111.6N287 Q295N287-L291 VanDerWaalsContact O-CB 3.32Å; N287-L291 WeakPolarHBondContact O-CB 3.29Å; N287-L291 PolarHBondContact O-N 2.97Å; L291-Q295 WeakPolarHBondContact O-CB 3.46Å; L291-Q295 VanDerWaalsContact O-CG 3.28Å; L291-Q295 WeakPolarHBondContact O-CG 3.18Å; L291-Q295 PolarHBondContact O-N 3.43Å; L291-Q295 VanDerWaalsContact O-N 3.1Å
292A53.9Low53Low53 Ų5396.1 Ų96.144%0.43852%0.524SS..Hα-helixtrans-68-39.6175.900000112S288 A289 N290 H296S288-A292 WeakPolarHBondContact O-CB 3.12Å; S288-A292 PolarHBondContact O-N 2.05Å; A289-A292 PolarHBondContact O-N 3.37Å; N290-A292 VanDerWaalsContact C-N 3.35Å; A292-H296 PolarHBondContact O-N 3.27Å; A292-H296 VanDerWaalsContact O-N 3.09Å
293T58.6Low52.1Low81 Ų8195.4 Ų95.450%0.49752%0.519SS..Hα-helixtrans-71.4-37.4176.446.40000112.5A289 N290 H296 H297A289-T293 PolarHBondContact O-N 3.29Å; A289-T293 PolarHBondContact O-OG1 3.29Å; N290-T293 VanDerWaalsContact CA-OG1 3.31Å; N290-T293 WeakPolarHBondContact CA-OG1 3.35Å; N290-T293 PolarHBondContact O-N 3.35Å; N290-T293 PolarHBondContact O-OG1 3.34Å; T293-H296 PolarHBondContact O-N 3.34Å; T293-H297 WeakPolarHBondContact O-CB 2.92Å; T293-H297 PolarHBondContact O-N 3.03Å
294E53.7Low51Low138 Ų13899.6 Ų99.665%0.64553%0.534SS*.Hα-helixtrans-65.6-36173.4-77.5-171.2149.300112.7N290 S298N290-E294 WeakPolarHBondContact O-CB 3.41Å; N290-E294 WeakPolarHBondContact O-CG 3.3Å; N290-E294 PolarHBondContact O-N 2.94Å; E294-S298 WeakPolarHBondContact O-CB 3.33Å; E294-S298 PolarHBondContact O-N 3Å
295Q50.5Low50Low130 Ų130100.8 Ų100.861%0.60754%0.536SS*.Hα-helixtrans-66.3-39.9173.9-76.5178.23.500111.9L291 C299L291-Q295 WeakPolarHBondContact O-CB 3.46Å; L291-Q295 VanDerWaalsContact O-CG 3.28Å; L291-Q295 WeakPolarHBondContact O-CG 3.18Å; L291-Q295 PolarHBondContact O-N 3.43Å; L291-Q295 VanDerWaalsContact O-N 3.1Å; Q295-C299 WeakPolarHBondContact O-CB 3.14Å; Q295-C299 PolarHBondContact O-N 3.04Å; Q295-C299 VanDerWaalsContact O-N 3.16Å
296H42.1Very low48.8Very low135 Ų13597.9 Ų97.963%0.62552%0.523SS*.Hα-helixtrans-66.8-47174.5-121.2-77.2000111.5A292 T293 S298 C299 D300A292-H296 PolarHBondContact O-N 3.27Å; A292-H296 VanDerWaalsContact O-N 3.09Å; T293-H296 PolarHBondContact O-N 3.34Å; H296-S298 VanDerWaalsContact C-N 3.31Å; H296-S298 PolarHBondContact O-N 3.4Å; H296-C299 WeakPolarHBondContact O-CA 3.21Å; H296-C299 WeakPolarHBondContact O-CB 3.44Å; H296-C299 PolarHBondContact O-N 2.52Å; H296-D300 PolarHBondContact O-N 3.37Å
297H36.8Very low47.5Very low123 Ų12396.1 Ų96.157%0.56952%0.518SS*.Hα-helixtrans-66.1-31.8179.3-129.6-54.1000112.9T293 C299 N301T293-H297 WeakPolarHBondContact O-CB 2.92Å; T293-H297 PolarHBondContact O-N 3.03Å; H297-C299 VanDerWaalsContact C-N 3.29Å; H297-N301 PolarHBondContact ND1-ND2 3.16Å; H297-N301 WeakPolarHBondContact O-CB 3.42Å; H297-N301 PolarHBondContact O-N 3.26Å; H297-N301 PolarHBondContact O-ND2 3.1Å
298S34.5Very low46.2Very low62 Ų6296.9 Ų96.943%0.43452%0.516SS..Hα-helixtrans-73.7-21.8172.6-177.40000112.5E294 H296 L302E294-S298 WeakPolarHBondContact O-CB 3.33Å; E294-S298 PolarHBondContact O-N 3Å; H296-S298 VanDerWaalsContact C-N 3.31Å; H296-S298 PolarHBondContact O-N 3.4Å; S298-L302 WeakPolarHBondContact O-CD1 2.82Å; S298-L302 VanDerWaalsContact O-CG 3.3Å; S298-L302 WeakPolarHBondContact O-CG 3.44Å
299C38.2Very low44.9Very low72 Ų72100 Ų10049%0.48653%0.526SS..Hα-helixtrans-81.4-41.9174.2-143.90000110.4Q295 H296 H297 L302 E303Q295-C299 WeakPolarHBondContact O-CB 3.14Å; Q295-C299 PolarHBondContact O-N 3.04Å; Q295-C299 VanDerWaalsContact O-N 3.16Å; H296-C299 WeakPolarHBondContact O-CA 3.21Å; H296-C299 WeakPolarHBondContact O-CB 3.44Å; H296-C299 PolarHBondContact O-N 2.52Å; H297-C299 VanDerWaalsContact C-N 3.29Å; C299-L302 WeakPolarHBondContact O-CB 3.37Å; C299-L302 PolarHBondContact O-N 2.97Å; C299-L302 VanDerWaalsContact O-N 3.15Å; C299-E303 PolarHBondContact O-N 3.44Å
300D35.2Very low43.5Very low75 Ų75105.3 Ų105.340%0.40154%0.535SS..Hα-helixtrans-67-40.3177.2-64.5-19000111.9H296 L302 E303 D304H296-D300 PolarHBondContact O-N 3.37Å; D300-L302 PolarHBondContact O-N 2.9Å; D300-E303 WeakPolarHBondContact O-CB 3.14Å; D300-E303 PolarHBondContact O-N 2.92Å; D300-D304 PolarHBondContact O-N 3.05Å
301N32.2Very low42.1Very low103 Ų103105 Ų10555%0.55153%0.532SS*.Hα-helixtrans-69.3-13.1174.1-80.5-65.9000113.9H297H297-N301 PolarHBondContact ND1-ND2 3.16Å; H297-N301 WeakPolarHBondContact O-CB 3.42Å; H297-N301 PolarHBondContact O-N 3.26Å; H297-N301 PolarHBondContact O-ND2 3.1Å
302L40.6Very low40.2Very low63 Ų63109.7 Ų109.733%0.3354%0.543SS..Hα-helixtrans-89.4-17.1169.9-76.2169.6000112S298 C299 D300 E306S298-L302 WeakPolarHBondContact O-CD1 2.82Å; S298-L302 VanDerWaalsContact O-CG 3.3Å; S298-L302 WeakPolarHBondContact O-CG 3.44Å; C299-L302 WeakPolarHBondContact O-CB 3.37Å; C299-L302 PolarHBondContact O-N 2.97Å; C299-L302 VanDerWaalsContact O-N 3.15Å; D300-L302 PolarHBondContact O-N 2.9Å; L302-E306 VanDerWaalsContact O-CB 3.23Å; L302-E306 WeakPolarHBondContact O-CB 3.4Å; L302-E306 VanDerWaalsContact O-CG 3.25Å; L302-E306 WeakPolarHBondContact O-CG 3.25Å; L302-E306 PolarHBondContact O-N 2.89Å
303E38.8Very low39.1Very low113 Ų113115.1 Ų115.153%0.52855%0.554SS.*Hα-helixtrans-77.2-35.6175.1-69-169.3134.400111.5C299 D300 E305 E306C299-E303 PolarHBondContact O-N 3.44Å; D300-E303 WeakPolarHBondContact O-CB 3.14Å; D300-E303 PolarHBondContact O-N 2.92Å; E303-E305 PolarHBondContact O-N 2.78Å; E303-E306 PolarHBondContact O-N 3.1Å
304D36.6Very low37.6Very low139 Ų139119.7 Ų119.774%0.74357%0.569SS**THydrogen-bonded Turntrans-70-23-179.7-78.8-22.7000114.6D300D300-D304 PolarHBondContact O-N 3.05Å
305E43.8Very low36.5Very low156 Ų156121.6 Ų121.673%0.72958%0.578SS**THydrogen-bonded Turntrans-108.3-3.3175.9-94.6-138.1125.900114.4E303E303-E305 PolarHBondContact O-N 2.78Å
306E39.6Very low35.3Very low67 Ų67123.1 Ų123.131%0.31359%0.59SS.*SBendtrans-100.67.9174.2-70.6-159.9164.800113.8K126 K216 L302 E303 F308K126-E306 IonicContact NZ-OE2 3.27Å; K126-E306 PolarHBondContact NZ-OE2 3.14Å; K216-E306 IonicContact NZ-OE1 2.91Å; K216-E306 PolarHBondContact NZ-OE1 3.38Å; K216-E306 VanDerWaalsContact NZ-OE1 3.14Å; L302-E306 VanDerWaalsContact O-CB 3.23Å; L302-E306 WeakPolarHBondContact O-CB 3.4Å; L302-E306 VanDerWaalsContact O-CG 3.25Å; L302-E306 WeakPolarHBondContact O-CG 3.25Å; L302-E306 PolarHBondContact O-N 2.89Å; E303-E306 PolarHBondContact O-N 3.1Å; E306-F308 PolarHBondContact O-N 3.27Å; E306-F308 VanDerWaalsContact O-N 3.14Å
307D36.4Very low34.8Very low90 Ų90122 Ų12248%0.48160%0.595SS.*G310 helixtrans-68.2-6.4173.7-130.117.2000112.9L309 R310D307-L309 VanDerWaalsContact C-N 3.26Å; D307-L309 PolarHBondContact O-N 3.43Å; D307-R310 WeakPolarHBondContact O-CB 3.4Å; D307-R310 PolarHBondContact O-N 3.15Å; D307-R310 WeakPolarHBondContact OD1-CD 3.42Å; D307-R310 IonicContact OD1-CZ 3.71Å; D307-R310 IonicContact OD1-NE 3.97Å; D307-R310 IonicContact OD1-NH1 2.67Å; D307-R310 PolarHBondContact OD1-NH1 3.26Å; D307-R310 VanDerWaalsContact OD1-NH1 3.12Å; D307-R310 IonicContact OD2-NH1 3.14Å
308F39.2Very low34.4Very low134 Ų134121 Ų12159%0.58861%0.607SS**G310 helixtrans-70.2-11.5-179.7-155.3-99000115.2T19 E306T19-F308 WeakPolarHBondContact O-CE2 3.45Å; T19-F308 WeakPolarHBondContact O-CZ 3.48Å; E306-F308 PolarHBondContact O-N 3.27Å; E306-F308 VanDerWaalsContact O-N 3.14Å
309L38.9Very low34Very low133 Ų133127 Ų12770%0.69663%0.628SS**G310 helixtrans-119.829.4174-71.7175.1000112.1D307 I311D307-L309 VanDerWaalsContact C-N 3.26Å; D307-L309 PolarHBondContact O-N 3.43Å; L309-I311 PolarHBondContact O-N 3.19Å
310R32.9Very low33.7Very low165 Ų165131.6 Ų131.662%0.62365%0.647SS**  trans-89.6102.8175.2-165.7164.9-178.3176.81.3110.1D307 R312D307-R310 WeakPolarHBondContact O-CB 3.4Å; D307-R310 PolarHBondContact O-N 3.15Å; D307-R310 WeakPolarHBondContact OD1-CD 3.42Å; D307-R310 IonicContact OD1-CZ 3.71Å; D307-R310 IonicContact OD1-NE 3.97Å; D307-R310 IonicContact OD1-NH1 2.67Å; D307-R310 PolarHBondContact OD1-NH1 3.26Å; D307-R310 VanDerWaalsContact OD1-NH1 3.12Å; D307-R310 IonicContact OD2-NH1 3.14Å; R310-R312 PolarHBondContact O-N 3.01Å; R310-R312 VanDerWaalsContact O-N 3.15Å
311I34.7Very low33.5Very low77 Ų77133.5 Ų133.540%0.39566%0.664SS.*  trans-66.5107.6161.2-56.3179.3000106.5H17 V100 L309 Y313H17-I311 VanDerWaalsContact CD2-CG2 3.43Å; H17-I311 WeakPolarHBondContact CD2-CG2 3.06Å; V100-I311 HydrophobicContact CG2-CD1 4.37Å; L309-I311 PolarHBondContact O-N 3.19Å; I311-Y313 HydrophobicContact CG2-CD2 3.98Å; I311-Y313 HydrophobicContact CG2-CE2 3.81Å
312R26.6Very low33.3Very low194 Ų194136.7 Ų136.773%0.73268%0.681SS**  trans-94.2108.9178.5-174.8-172.9-97.7-139.41.2108.2R310R310-R312 PolarHBondContact O-N 3.01Å; R310-R312 VanDerWaalsContact O-N 3.15Å
313Y30.7Very low32.6Very low167 Ų167137.1 Ų137.166%0.65570%0.7SS**  trans-86.5116.2163.5-85.4-89.8000108.2I311I311-Y313 HydrophobicContact CG2-CD2 3.98Å; I311-Y313 HydrophobicContact CG2-CE2 3.81Å
314E26.9Very low31.9Very low177 Ų177138.3 Ų138.383%0.82772%0.72SS**  trans-77.7122.7160.4-81.2-161.7147.800108.7
315Q30.6Very low31.4Very low178 Ų178137.3 Ų137.383%0.83272%0.724SS**  trans-116.7108.4172.5-167155.2-0.600108
316L26.4Very low30.8Very low163 Ų163136.1 Ų136.185%0.85373%0.73SS**  trans-62.2126.5172.1-172.270.2000109A318L316-A318 PolarHBondContact O-N 2.78Å
317P30.7Very low30.1Very low111 Ų111140.5 Ų140.572%0.72175%0.754SS**  trans-76127.2179.4-8.624.7000110.5E319P317-E319 PolarHBondContact O-N 3.11Å
318A28.3Very low29.8Very low101 Ų101141.5 Ų141.584%0.83577%0.766SS**  trans-76.7110.2163.300000108.9L316L316-A318 PolarHBondContact O-N 2.78Å
319E27.1Very low29.1Very low188 Ų188142 Ų14288%0.87977%0.773SS**  trans-76.7129.6166.2-74.6-161.8130.400110.2P317P317-E319 PolarHBondContact O-N 3.11Å
320L30.5Very low28.4Very low169 Ų169142.9 Ų142.989%0.88578%0.778SS**  trans-119.2124.8166.5-147.492.2000108
321P32Very low28.1Very low116 Ų116143.5 Ų143.575%0.75379%0.788SS**  trans-102.2138.7-175.135.6-29.2000113.1
322N27.8Very low27.8Very low170 Ų170144.8 Ų144.891%0.90980%0.804SS**  trans-150.1129.3159-87-24000105.3
323G26.3Very low27.8Very low71 Ų71138.2 Ų138.273%0.73280%0.797SS**  cis179.4170.7-100000108.3
324C23.3Very low27.7Very low138 Ų138139.6 Ų139.693%0.93281%0.806SS**  trans88111.7167.3-66.50000119.8
325S26.2Very low27.9Very low119 Ų119136.8 Ų136.883%0.83280%0.797SS**  trans-71.6-179-177.8-20.20000114.4
326P31.4Very low27.8Very low131 Ų131137 Ų13785%0.85179%0.794SS**  cis-135.215745.329.7-6.3000118.2
327L25.3Very low28Very low158 Ų158134.4 Ų134.483%0.82778%0.782SS**  trans-81.9162.7175.6-13990.5000112.2
328P29Very low28.1Very low111 Ų111135.8 Ų135.872%0.72178%0.777SS**  -135.3125.3122.8191.6000112
329L24.4Very low28.2Very low144 Ų144140.9 Ų140.975%0.75477%0.774SS**  88.4109.696.9-83.6164.9000115.1
330L25.3Very low28.3Very low153 Ų153142.5 Ų142.580%0.80177%0.772SS**  172.4114.7110.2-111.5109.2000108.7
331H26.3Very low28.4Very low177 Ų177141.1 Ų141.182%0.81977%0.765SS**  87.2131.999-14974.6000111.1
332S28.3Very low28.3Very low104 Ų104140.1 Ų140.173%0.72776%0.761SS**  cis-171.7153.110.8141.50000104.2
333G26.9Very low28.6Very low57 Ų57142.3 Ų142.359%0.58876%0.756SS**  cis175.6160.75.800000109.8
334F27.6Very low28.8Very low195 Ų195144 Ų14486%0.85575%0.753SS**  trans59.9131.9141.8-84.3-123.5000118.8
335L31.6Very low29.3Very low119 Ų119143 Ų14362%0.62375%0.747SS**  cis-173150.615.3-131.4176.8000110.1
336K29.5Very low29.7Very low181 Ų181140.3 Ų140.379%0.78774%0.738SS**  trans80.1138.4140.9-119161.9-170.9179.40118.9
337D30.3Very low29.7Very low110 Ų110140.7 Ų140.759%0.58874%0.739SS**  cis-178.4157.3-20.6-167.88.7000106.1
338K33.2Very low30Very low140 Ų140138.6 Ų138.661%0.60974%0.737SS**  trans83114.8150.2-85.1154.2-178.5156.50124.1
339R29Very low30.4Very low207 Ų207139.2 Ų139.278%0.78174%0.744SS**  82.5113.6126.5-80.1-178.9-81.2-177.8-3.4116.9
340R31.2Very low30.9Very low222 Ų222143.8 Ų143.884%0.83875%0.751SS**  85.3133.854-157.4-167-136.9-108.75.3112.6
341L31.5Very low31.4Very low140 Ų140140.7 Ų140.773%0.73375%0.748SS**  trans105.3101.8164.6-60.4159.5000112.7
342S29.9Very low31.9Very low96 Ų96143.8 Ų143.867%0.67175%0.752SS**  73.212060.576.40000114.6
343R34.2Very low32.3Very low215 Ų215147.2 Ų147.281%0.81176%0.757SS**  trans142.2116135.6-87.8-174.683.6156.12.1111.2
344T31.3Very low33Very low108 Ų108151.4 Ų151.466%0.66377%0.766SS**  72.8141.3109.667.70000112.4
345S32.9Very low33.7Very low115 Ų115149.2 Ų149.280%0.80476%0.763SS**  cis168.8160.68.237.20000105.3
346G33.8Very low34.3Very low63 Ų63150.9 Ų150.965%0.64977%0.772SS**  trans114.397.415700000113.7
347T31.6Very low34.9Very low140 Ų140146.5 Ų146.586%0.85977%0.769SS**  67.9109.383.259.90000115.9
348S32.7Very low35.4Very low113 Ų113151.5 Ų151.579%0.7980%0.803SS**  trans64.9119.4131.3-1770000120.3
349S36.5Very low35.5Very low124 Ų124152.1 Ų152.187%0.86781%0.813SS**  175.7166.2109.849.40000113
350R35.6Very low35.8Very low240 Ų240149.2 Ų149.291%0.90682%0.815SS**  trans-87.7147.1-160.2-121.6171.9158.9146.3-7.7114.3
351A34.9Very low36.1Very low89 Ų89145.2 Ų145.274%0.73681%0.814SS**  trans46.4122131.900000124
352R36.7Very low36.4Very low241 Ų241145.5 Ų145.591%0.90982%0.818SS**  169.2127.1127.4-97.4-176.2172.7119.3-3.7106.1
353Q37.6Very low36.8Very low176 Ų176148.6 Ų148.682%0.82283%0.828SS**  61.7117.859.2-152.6147.716.500114.2
354D42.1Very low36.9Very low145 Ų145144.1 Ų144.178%0.77583%0.829SS**  trans92.4108.3177.3-58-32.2000117.7
355D41.7Very low37.3Very low150 Ų150146.7 Ų146.780%0.80284%0.84SS**  trans174.8143.4145.1-87.2-21.1000105.9
356L44.5Very low37.7Very low153 Ų153149.2 Ų149.280%0.80184%0.843SS**  cis-172.7155.7-14.7-115.9164.6000103.7
357A41.7Very low38Very low89 Ų89156.3 Ų156.374%0.73686%0.859SS**  trans-62142.1173.600000112.6
358V40.2Very low38.6Very low216 Ų216157.8 Ų157.8100%1.30986%0.859SS**  -1490123.2172.80000107.6

Retrieved 358 of 358 residues in 143.3 ms (Link to these results)

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