A0A087Y6M8_POEFO Loading...

3'-5' exonuclease domain-containing protein

AlphaFold DB , UniProt , Accession A0A087Y6M8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 422 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
1M34Very low40Very low238 Ų238150.6 Ų150.6100%1.17279%0.786SS**  094.30-95.4166.8168.900106.7L3M1-L3 PolarHBondContact O-N 3.31Å
2T31Very low41.2Very low125 Ų125148.6 Ų148.677%0.76779%0.792SS**  trans-60.9119165.438.90000106.6D4T2-D4 PolarHBondContact O-N 3.23Å
3L36.6Very low43Very low170 Ų170139.8 Ų139.889%0.8974%0.744SS**  trans-71.9112.1169.6-72.8167.6000105.4M1 D5M1-L3 PolarHBondContact O-N 3.31Å; L3-D5 PolarHBondContact O-N 3.41Å
4D35.3Very low46.3Very low142 Ų142136.6 Ų136.676%0.75973%0.727SS**  trans-50.1125.2-178.9-65.7-53.6000109.7T2 D6T2-D4 PolarHBondContact O-N 3.23Å; D4-D6 PolarHBondContact O-N 3.36Å; D4-D6 VanDerWaalsContact O-N 3.08Å
5D40Very low49.6Very low139 Ų139131.3 Ų131.374%0.74370%0.695SS**  trans-52.3111.6163.5-73.5-58.5000107.5L3 E7L3-D5 PolarHBondContact O-N 3.41Å; D5-E7 HydrophobicContact CB-CG 4Å; D5-E7 PolarHBondContact O-N 3.34Å
6D40Very low52.6Low167 Ų167125.1 Ų125.189%0.89366%0.664SS**  trans-62.474.4149-76-45.6000106.5D4 D8D4-D6 PolarHBondContact O-N 3.36Å; D4-D6 VanDerWaalsContact O-N 3.08Å; D6-D8 VanDerWaalsContact C-N 3.25Å; D6-D8 PolarHBondContact O-N 2.95Å
7E41.9Very low55.2Low166 Ų166119.6 Ų119.678%0.77664%0.636SS**  trans-60.498163-84.2-168.2153.500106.1D5 E9D5-E7 HydrophobicContact CB-CG 4Å; D5-E7 PolarHBondContact O-N 3.34Å; E7-E9 PolarHBondContact O-N 3.37Å
8D43.7Very low57.6Low103 Ų103113 Ų11355%0.55160%0.601SS**  trans-29.8102.2156.2-88.2-63.6000110D6 A10 R155D6-D8 VanDerWaalsContact C-N 3.25Å; D6-D8 PolarHBondContact O-N 2.95Å; D8-A10 HydrophobicContact CB-CB 4.34Å; D8-A10 PolarHBondContact O-N 2.85Å; D8-R155 IonicContact OD1-CZ 3.73Å; D8-R155 IonicContact OD1-NH1 2.89Å; D8-R155 PolarHBondContact OD1-NH1 3.13Å; D8-R155 IonicContact OD1-NH2 3.2Å; D8-R155 PolarHBondContact OD1-NH2 3.19Å
9E39.8Very low59.6Low197 Ų197110.3 Ų110.392%0.92159%0.587SS**  trans-64.933.7160.7-81.8-168.7152.300111.3E7 E11E7-E9 PolarHBondContact O-N 3.37Å; E9-E11 PolarHBondContact O-N 2.76Å
10A45.5Very low61.3Low54 Ų54108.7 Ų108.745%0.44658%0.576SS.*SBendtrans-70.882.6155.400000106.4D8 C12D8-A10 HydrophobicContact CB-CB 4.34Å; D8-A10 PolarHBondContact O-N 2.85Å; A10-C12 VanDerWaalsContact C-N 3.33Å; A10-C12 VanDerWaalsContact O-CA 3.31Å; A10-C12 WeakPolarHBondContact O-CA 3.46Å; A10-C12 PolarHBondContact O-N 3.08Å
11E51.8Low62.7Low156 Ų156105.6 Ų105.673%0.72956%0.559SS**  trans-12.688.6167.1-166.8178.6-159.100110.5E9 I13E9-E11 PolarHBondContact O-N 2.76Å; E11-I13 HydrophobicContact CG-CG1 4.24Å; E11-I13 PolarHBondContact O-N 3.19Å
12C55Low65.1Low126 Ų126101.6 Ų101.685%0.85154%0.537SS*.  trans-7582.8-168.7-179.70000106.9A10 N14A10-C12 VanDerWaalsContact C-N 3.33Å; A10-C12 VanDerWaalsContact O-CA 3.31Å; A10-C12 WeakPolarHBondContact O-CA 3.46Å; A10-C12 PolarHBondContact O-N 3.08Å; C12-N14 PolarHBondContact O-N 3.16Å
13I64.6Low67.9Low35 Ų35102.9 Ų102.918%0.17954%0.535CS..  trans-66.9108.9179.5-67.5169.8000106.7E11 F15 V64 I191E11-I13 HydrophobicContact CG-CG1 4.24Å; E11-I13 PolarHBondContact O-N 3.19Å; I13-F15 PolarHBondContact O-N 3.03Å; I13-V64 HydrophobicContact CG2-CG2 3.76Å; I13-I191 HydrophobicContact CB-CG2 3.93Å; I13-I191 HydrophobicContact CD1-CB 3.46Å; I13-I191 VanDerWaalsContact CD1-CB 3.46Å; I13-I191 HydrophobicContact CD1-CD1 3.86Å; I13-I191 HydrophobicContact CD1-CG1 4.25Å; I13-I191 HydrophobicContact CD1-CG2 3.36Å; I13-I191 HydrophobicContact CG1-CG2 4.22Å; I13-I191 HydrophobicContact CG2-CG2 3.86Å
14N89.6Confident70.7Confident94 Ų9499.1 Ų99.150%0.50351%0.511SS..  trans-56123.6179.4-174.2-3.1000109.7C12 K63 V64C12-N14 PolarHBondContact O-N 3.16Å; N14-K63 WeakPolarHBondContact O-CA 3.38Å; N14-V64 PolarHBondContact O-N 2.85Å
15F95.9Very high73.6Confident57 Ų5792.6 Ų92.625%0.2548%0.476CS..EExtended strand (participates in β ladder)trans-109148.1174.269.1-98.3000111.2I13 V17 V64 L66 L183 K184 T187I13-F15 PolarHBondContact O-N 3.03Å; F15-V17 HydrophobicContact CD2-CG2 4.28Å; F15-V17 HydrophobicContact CE2-CG2 4.17Å; F15-V64 CarbonylContact C-O 3.48Å; F15-V64 WeakPolarHBondContact CA-O 3.36Å; F15-V64 HydrophobicContact CB-CB 4.14Å; F15-L66 HydrophobicContact CB-CD1 4.18Å; F15-L66 HydrophobicContact CB-CG 4.35Å; F15-L66 HydrophobicContact CD2-CD1 3.6Å; F15-L66 HydrophobicContact CD2-CG 4.42Å; F15-L66 HydrophobicContact CE2-CD1 4.23Å; F15-L66 HydrophobicContact CG-CD1 4Å; F15-L183 HydrophobicContact CE2-CB 3.91Å; F15-L183 HydrophobicContact CE2-CD1 3.88Å; F15-L183 HydrophobicContact CE2-CG 4.5Å; F15-L183 HydrophobicContact CZ-CB 3.92Å; F15-L183 HydrophobicContact CZ-CD1 4.28Å; F15-K184 HydrophobicContact CE1-CG 4.27Å; F15-T187 HydrophobicContact CB-CG2 4.24Å; F15-T187 WeakPolarHBondContact CB-OG1 3.32Å; F15-T187 HydrophobicContact CD1-CG2 4.43Å
16V96.8Very high76.4Confident32 Ų3287.6 Ų87.619%0.19446%0.457CS..EExtended strand (participates in β ladder)trans-121.7122.5175.4-174.60000108.6I18 K24 K63 V64 Y65 L66V16-I18 HydrophobicContact CB-CD1 4.45Å; V16-I18 HydrophobicContact CG1-CD1 3.69Å; V16-K24 HydrophobicContact CG1-CD 4.47Å; V16-K63 HydrophobicContact CG2-CD 3.76Å; V16-K63 HydrophobicContact CG2-CG 4.27Å; V16-V64 PolarHBondContact N-O 2.89Å; V16-Y65 HydrophobicContact CB-CD1 4.11Å; V16-Y65 HydrophobicContact CB-CE1 4.39Å; V16-L66 PolarHBondContact O-N 3.43Å
17V97.3Very high79.1Confident32 Ų3283.7 Ų83.719%0.19444%0.441CS..EExtended strand (participates in β ladder)trans-78.2129.2170.4-179.90000109F15 D19 W55 L66 L183F15-V17 HydrophobicContact CD2-CG2 4.28Å; F15-V17 HydrophobicContact CE2-CG2 4.17Å; V17-D19 HydrophobicContact CG1-CB 4.28Å; V17-W55 HydrophobicContact CG1-CH2 4.41Å; V17-W55 HydrophobicContact CG1-CZ3 4.27Å; V17-L66 WeakPolarHBondContact CA-O 3.19Å; V17-L66 HydrophobicContact CG2-CD1 4.45Å; V17-L183 HydrophobicContact CG2-CD1 3.82Å; V17-L183 HydrophobicContact CG2-CD2 4.14Å
18I97.9Very high81.7Confident1 Ų175.9 Ų75.91%0.00541%0.405CS..EExtended strand (participates in β ladder)trans-11798.4176.1-46.9-64.2000107.3V16 K24 F25 A28 Y65 L66 F67 D68 L72V16-I18 HydrophobicContact CB-CD1 4.45Å; V16-I18 HydrophobicContact CG1-CD1 3.69Å; I18-K24 HydrophobicContact CD1-CB 3.53Å; I18-F25 HydrophobicContact CG2-CB 3.88Å; I18-F25 HydrophobicContact CG2-CD2 3.67Å; I18-F25 HydrophobicContact CG2-CG 4.24Å; I18-A28 HydrophobicContact CD1-CB 3.94Å; I18-A28 HydrophobicContact CG1-CB 4.29Å; I18-Y65 HydrophobicContact CD1-CD1 4.22Å; I18-Y65 HydrophobicContact CG1-CD1 4.28Å; I18-L66 PolarHBondContact N-O 2.99Å; I18-F67 HydrophobicContact CB-CD1 3.66Å; I18-F67 HydrophobicContact CB-CE1 3.95Å; I18-F67 HydrophobicContact CB-CG 4.26Å; I18-F67 HydrophobicContact CG1-CD1 4.06Å; I18-F67 HydrophobicContact CG1-CE1 3.92Å; I18-F67 HydrophobicContact CG1-CZ 4.28Å; I18-F67 HydrophobicContact CG2-CD1 3.7Å; I18-F67 HydrophobicContact CG2-CE1 3.79Å; I18-F67 WeakPolarHBondContact O-CA 3.37Å; I18-D68 PolarHBondContact O-N 3.3Å; I18-L72 HydrophobicContact CG2-CD1 4.32Å; I18-L72 WeakPolarHBondContact O-CD1 3.23Å
19D95.6Very high84.3Confident62 Ų6271.4 Ų71.433%0.33238%0.381SS..  trans-114.7-6.4-17647.8-0.5000113.4V17 D68 L71V17-D19 HydrophobicContact CG1-CB 4.28Å; D19-D68 HydrophobicContact CB-CB 4.12Å; D19-L71 HydrophobicContact CB-CD1 3.83Å
20E93.9Very high87.1Confident77 Ų7767 Ų6736%0.3636%0.362SS..SBendtrans-138.2157.8176.862.2179.2-17100112.2F25 L72E20-F25 WeakPolarHBondContact O-CB 3.43Å; E20-L72 VanDerWaalsContact C-CD2 3.43Å
21I91.6Very high89.5Confident44 Ų4467.2 Ų67.223%0.22635%0.353CS..SBendtrans-82.9-14.8-176.6-62.6-70.9000113.2F25 L72 L75I21-F25 HydrophobicContact CD1-CD1 4.33Å; I21-F25 HydrophobicContact CD1-CD2 3.86Å; I21-F25 HydrophobicContact CD1-CE1 4.4Å; I21-F25 HydrophobicContact CD1-CE2 3.96Å; I21-F25 HydrophobicContact CD1-CG 4.09Å; I21-F25 HydrophobicContact CD1-CZ 4.25Å; I21-F25 WeakPolarHBondContact O-CB 3.35Å; I21-L72 HydrophobicContact CD1-CD2 3.83Å; I21-L72 HydrophobicContact CG1-CD2 4.08Å; I21-L75 HydrophobicContact CD1-CG 4.31Å; I21-L75 HydrophobicContact CG1-CD2 4Å; I21-L75 HydrophobicContact CG1-CG 4.28Å
22H83.4Confident91.8Very high155 Ų15559.8 Ų59.872%0.71832%0.319SS*.SBendtrans-80.5-88.2-168.2-59.693.8000113
23E89.8Confident93.8Very high152 Ų15258.3 Ų58.371%0.7130%0.298SS*.THydrogen-bonded Turntrans-75.1-43.7-164.3-65.8-169.2164.200113.5P27E23-P27 VanDerWaalsContact O-CD 3.23Å; E23-P27 WeakPolarHBondContact O-CD 3.3Å; E23-P27 WeakPolarHBondContact O-CG 3.44Å
24K94.9Very high95.3Very high91 Ų9164 Ų6440%0.39632%0.321SS..THydrogen-bonded Turntrans-92.4-28.7-169.7-57.1174.8-170.71590113.3V16 I18 A28V16-K24 HydrophobicContact CG1-CD 4.47Å; I18-K24 HydrophobicContact CD1-CB 3.53Å; K24-A28 VanDerWaalsContact O-CB 3.29Å; K24-A28 WeakPolarHBondContact O-CB 3.29Å; K24-A28 PolarHBondContact O-N 2.92Å; K24-A28 VanDerWaalsContact O-N 3.13Å
25F97.7Very high95.7Very high5 Ų561.3 Ų61.32%0.02231%0.305CS..Hα-helixtrans-68-52.2-171-174.7-84.5000112.9I18 E20 I21 A28 V29 F67 L72 A76 N79 L81I18-F25 HydrophobicContact CG2-CB 3.88Å; I18-F25 HydrophobicContact CG2-CD2 3.67Å; I18-F25 HydrophobicContact CG2-CG 4.24Å; E20-F25 WeakPolarHBondContact O-CB 3.43Å; I21-F25 HydrophobicContact CD1-CD1 4.33Å; I21-F25 HydrophobicContact CD1-CD2 3.86Å; I21-F25 HydrophobicContact CD1-CE1 4.4Å; I21-F25 HydrophobicContact CD1-CE2 3.96Å; I21-F25 HydrophobicContact CD1-CG 4.09Å; I21-F25 HydrophobicContact CD1-CZ 4.25Å; I21-F25 WeakPolarHBondContact O-CB 3.35Å; F25-A28 WeakPolarHBondContact O-CB 3.44Å; F25-A28 PolarHBondContact O-N 3.44Å; F25-V29 HydrophobicContact CD1-CG2 3.93Å; F25-V29 HydrophobicContact CE1-CG2 3.47Å; F25-V29 VanDerWaalsContact CE1-CG2 3.47Å; F25-V29 HydrophobicContact CE2-CG2 4.4Å; F25-V29 HydrophobicContact CZ-CG2 3.71Å; F25-V29 WeakPolarHBondContact O-CG2 3.49Å; F25-V29 PolarHBondContact O-N 3.21Å; F25-F67 HydrophobicContact CD2-CD1 4.08Å; F25-F67 AromaticContact CD2-CE1 3.88Å; F25-F67 HydrophobicContact CD2-CE1 3.88Å; F25-F67 AromaticContact CE2-CD1 3.92Å; F25-F67 HydrophobicContact CE2-CD1 3.92Å; F25-F67 AromaticContact CE2-CE1 3.8Å; F25-F67 HydrophobicContact CE2-CE1 3.8Å; F25-L72 HydrophobicContact CD2-CD1 4.23Å; F25-L72 HydrophobicContact CD2-CD2 4.33Å; F25-L72 HydrophobicContact CE2-CD1 4.23Å; F25-A76 HydrophobicContact CE2-CB 3.96Å; F25-A76 HydrophobicContact CZ-CB 4.34Å; F25-A76 WeakPolarHBondContact CZ-O 3.47Å; F25-N79 HydrophobicContact CE1-CB 3.75Å; F25-N79 HydrophobicContact CZ-CB 4.27Å; F25-L81 HydrophobicContact CE2-CD1 4.41Å; F25-L81 HydrophobicContact CE2-CG 4.4Å; F25-L81 HydrophobicContact CZ-CG 4.2Å
26G97.3Very high95.8Very high33 Ų3365.8 Ų65.834%0.3433%0.327SS..Hα-helixtrans-55.2-53.5179.800000112.7A28 V29 M30G26-A28 VanDerWaalsContact C-N 3.32Å; G26-A28 PolarHBondContact O-N 3.14Å; G26-V29 PolarHBondContact O-N 2.9Å; G26-M30 WeakPolarHBondContact O-CB 3.36Å; G26-M30 WeakPolarHBondContact O-CG 3.04Å; G26-M30 PolarHBondContact O-N 3.31Å
27P97Very high95.9Very high86 Ų8665.9 Ų65.956%0.55833%0.328SS*.Hα-helixtrans-58.2-39.6175.3-27.636.6000113.8E23 M30 H31E23-P27 VanDerWaalsContact O-CD 3.23Å; E23-P27 WeakPolarHBondContact O-CD 3.3Å; E23-P27 WeakPolarHBondContact O-CG 3.44Å; P27-M30 PolarHBondContact O-N 2.94Å; P27-H31 WeakPolarHBondContact O-CB 3.18Å; P27-H31 PolarHBondContact O-N 3.49Å
28A97.8Very high96Very high2 Ų264.4 Ų64.42%0.01732%0.318CS..Hα-helixtrans-62.6-51.2176.600000111.8I18 K24 F25 G26 M30 H31 I32 Y65 F67I18-A28 HydrophobicContact CD1-CB 3.94Å; I18-A28 HydrophobicContact CG1-CB 4.29Å; K24-A28 VanDerWaalsContact O-CB 3.29Å; K24-A28 WeakPolarHBondContact O-CB 3.29Å; K24-A28 PolarHBondContact O-N 2.92Å; K24-A28 VanDerWaalsContact O-N 3.13Å; F25-A28 WeakPolarHBondContact O-CB 3.44Å; F25-A28 PolarHBondContact O-N 3.44Å; G26-A28 VanDerWaalsContact C-N 3.32Å; G26-A28 PolarHBondContact O-N 3.14Å; A28-M30 VanDerWaalsContact C-N 3.33Å; A28-M30 PolarHBondContact O-N 3.4Å; A28-H31 PolarHBondContact O-N 2.9Å; A28-I32 WeakPolarHBondContact O-CD1 3.3Å; A28-I32 VanDerWaalsContact O-CG1 3.23Å; A28-I32 WeakPolarHBondContact O-CG1 3.34Å; A28-I32 PolarHBondContact O-N 2.8Å; A28-Y65 HydrophobicContact CB-CD1 3.48Å; A28-Y65 VanDerWaalsContact CB-CD1 3.48Å; A28-Y65 HydrophobicContact CB-CE1 3.41Å; A28-Y65 VanDerWaalsContact CB-CE1 3.41Å; A28-Y65 HydrophobicContact CB-CG 4.25Å; A28-F67 HydrophobicContact CB-CE1 4.48Å; A28-F67 HydrophobicContact CB-CZ 4.12Å
29V98.1Very high96Very high8 Ų864.3 Ų64.35%0.04832%0.318CS..Hα-helixtrans-58.4-45.4177.31680000110.9F25 G26 H31 I32 K33 L81 I84F25-V29 HydrophobicContact CD1-CG2 3.93Å; F25-V29 HydrophobicContact CE1-CG2 3.47Å; F25-V29 VanDerWaalsContact CE1-CG2 3.47Å; F25-V29 HydrophobicContact CE2-CG2 4.4Å; F25-V29 HydrophobicContact CZ-CG2 3.71Å; F25-V29 WeakPolarHBondContact O-CG2 3.49Å; F25-V29 PolarHBondContact O-N 3.21Å; G26-V29 PolarHBondContact O-N 2.9Å; V29-H31 VanDerWaalsContact C-N 3.34Å; V29-H31 PolarHBondContact O-N 2.8Å; V29-I32 PolarHBondContact O-N 2.92Å; V29-K33 HydrophobicContact CG1-CD 3.95Å; V29-K33 HydrophobicContact CG1-CG 4.36Å; V29-K33 WeakPolarHBondContact O-CB 3.23Å; V29-K33 VanDerWaalsContact O-CG 3.3Å; V29-K33 WeakPolarHBondContact O-CG 3.43Å; V29-K33 PolarHBondContact O-N 3.03Å; V29-L81 HydrophobicContact CG2-CD2 4.36Å; V29-I84 HydrophobicContact CB-CD1 4.47Å; V29-I84 HydrophobicContact CG1-CD1 4Å
30M97.3Very high96.2Very high106 Ų10661.4 Ų61.452%0.52230%0.303SS..Hα-helixtrans-64.4-37.2179-71.6-59.1-68.900112.7G26 P27 A28 K34G26-M30 WeakPolarHBondContact O-CB 3.36Å; G26-M30 WeakPolarHBondContact O-CG 3.04Å; G26-M30 PolarHBondContact O-N 3.31Å; P27-M30 PolarHBondContact O-N 2.94Å; A28-M30 VanDerWaalsContact C-N 3.33Å; A28-M30 PolarHBondContact O-N 3.4Å; M30-K34 WeakPolarHBondContact O-CG 3.48Å
31H97.6Very high96.3Very high58 Ų5858.3 Ų58.327%0.26929%0.291SS..Hα-helixtrans-68.4-42.8175-179.4-125000112.1P27 A28 V29 K34 Q35 Y65P27-H31 WeakPolarHBondContact O-CB 3.18Å; P27-H31 PolarHBondContact O-N 3.49Å; A28-H31 PolarHBondContact O-N 2.9Å; V29-H31 VanDerWaalsContact C-N 3.34Å; V29-H31 PolarHBondContact O-N 2.8Å; H31-K34 PolarHBondContact O-N 2.85Å; H31-Q35 PolarHBondContact NE2-NE2 2.72Å; H31-Q35 PolarHBondContact O-NE2 2.87Å; H31-Y65 AromaticContact ND1-CE2 3.58Å; H31-Y65 AromaticContact ND1-CZ 3.62Å; H31-Y65 PolarHBondContact ND1-OH 3.27Å
32I98.3Very high96.4Very high0 Ų057 Ų570%029%0.288CS..Hα-helixtrans-65.3-40.2178.8-65.6161.7000111.1A28 V29 K34 Q35 I38 I58 T60 Y65 F67 I84A28-I32 WeakPolarHBondContact O-CD1 3.3Å; A28-I32 VanDerWaalsContact O-CG1 3.23Å; A28-I32 WeakPolarHBondContact O-CG1 3.34Å; A28-I32 PolarHBondContact O-N 2.8Å; V29-I32 PolarHBondContact O-N 2.92Å; I32-K34 PolarHBondContact O-N 2.87Å; I32-K34 VanDerWaalsContact O-N 3.14Å; I32-Q35 WeakPolarHBondContact O-CB 3.39Å; I32-Q35 VanDerWaalsContact O-CG 3.3Å; I32-Q35 WeakPolarHBondContact O-CG 3.48Å; I32-Q35 PolarHBondContact O-N 2.84Å; I32-I38 HydrophobicContact CG2-CD1 4.18Å; I32-I38 HydrophobicContact CG2-CG2 4.3Å; I32-I58 HydrophobicContact CD1-CB 4.19Å; I32-I58 HydrophobicContact CD1-CD1 4.08Å; I32-I58 HydrophobicContact CD1-CG2 3.96Å; I32-I58 HydrophobicContact CG1-CG2 4.07Å; I32-I58 HydrophobicContact CG2-CG2 3.97Å; I32-T60 HydrophobicContact CG1-CG2 4.28Å; I32-Y65 HydrophobicContact CD1-CD2 3.72Å; I32-Y65 HydrophobicContact CD1-CE2 4.22Å; I32-Y65 HydrophobicContact CD1-CG 4.09Å; I32-Y65 HydrophobicContact CG1-CD2 3.8Å; I32-Y65 HydrophobicContact CG1-CE2 3.88Å; I32-F67 HydrophobicContact CD1-CE2 3.82Å; I32-F67 HydrophobicContact CD1-CZ 3.78Å; I32-I84 HydrophobicContact CB-CD1 3.97Å; I32-I84 HydrophobicContact CG2-CD1 3.7Å; I32-I84 HydrophobicContact CG2-CG1 4.18Å; I32-I84 HydrophobicContact CG2-CG2 3.65Å
33K97.6Very high96.8Very high94 Ų9451 Ų5141%0.40926%0.26SS..Hα-helixtrans-60.7-22.2178-78178.869.3175.10114.1V29 Q35 I84V29-K33 HydrophobicContact CG1-CD 3.95Å; V29-K33 HydrophobicContact CG1-CG 4.36Å; V29-K33 WeakPolarHBondContact O-CB 3.23Å; V29-K33 VanDerWaalsContact O-CG 3.3Å; V29-K33 WeakPolarHBondContact O-CG 3.43Å; V29-K33 PolarHBondContact O-N 3.03Å; K33-Q35 VanDerWaalsContact C-N 3.31Å; K33-I84 HydrophobicContact CG-CD1 4.01Å; K33-I84 HydrophobicContact CG-CG1 3.64Å
34K97.1Very high96.7Very high156 Ų15643.7 Ų43.768%0.67823%0.227SC*.THydrogen-bonded Turntrans-82.4-7.4176.8-66.4174.5-177.2-176.90113.2M30 H31 I32M30-K34 WeakPolarHBondContact O-CG 3.48Å; H31-K34 PolarHBondContact O-N 2.85Å; I32-K34 PolarHBondContact O-N 2.87Å; I32-K34 VanDerWaalsContact O-N 3.14Å
35Q97.5Very high96.1Very high36 Ų3640 Ų4017%0.16821%0.211CC..  trans-86141-178.1-49.7-58-57.400110.6H31 I32 K33 I38 T60 I90H31-Q35 PolarHBondContact NE2-NE2 2.72Å; H31-Q35 PolarHBondContact O-NE2 2.87Å; I32-Q35 WeakPolarHBondContact O-CB 3.39Å; I32-Q35 VanDerWaalsContact O-CG 3.3Å; I32-Q35 WeakPolarHBondContact O-CG 3.48Å; I32-Q35 PolarHBondContact O-N 2.84Å; K33-Q35 VanDerWaalsContact C-N 3.31Å; Q35-I38 HydrophobicContact CB-CG2 3.56Å; Q35-I38 HydrophobicContact CG-CG2 3.95Å; Q35-T60 HydrophobicContact CG-CG2 3.94Å; Q35-I90 WeakPolarHBondContact O-CG1 3.23Å
36H97.9Very high95.2Very high152 Ų15243.4 Ų43.470%0.70423%0.228SC*.SBendtrans-83.3-29.8169.9-67.3-70.3000112.9I90 L91H36-I90 WeakPolarHBondContact O-CA 3.27Å; H36-L91 PolarHBondContact O-N 2.92Å
37V98.7Very high93.9Very high34 Ų3442.7 Ų42.721%0.20622%0.216CC..EExtended strand (participates in β ladder)trans-139.7128.2-177.5-172.60000109.4L91 V93 K194V37-L91 WeakPolarHBondContact CA-O 3.4Å; V37-L91 HydrophobicContact CG1-CB 4.32Å; V37-L91 HydrophobicContact CG1-CD2 4.2Å; V37-L91 HydrophobicContact CG1-CG 4.44Å; V37-L91 HydrophobicContact CG2-CB 4.19Å; V37-L91 HydrophobicContact CG2-CD2 4.32Å; V37-V93 HydrophobicContact CG1-CG2 3.48Å; V37-V93 VanDerWaalsContact CG1-CG2 3.48Å; V37-K194 HydrophobicContact CG1-CG 4.33Å
38I98.8Very high92.5Very high0 Ų044.6 Ų44.60%022%0.215CC..EExtended strand (participates in β ladder)trans-127.6146.2178.360.1176.3000110.5I32 Q35 V40 I58 A59 I84 I90 L91 K92 V93I32-I38 HydrophobicContact CG2-CD1 4.18Å; I32-I38 HydrophobicContact CG2-CG2 4.3Å; Q35-I38 HydrophobicContact CB-CG2 3.56Å; Q35-I38 HydrophobicContact CG-CG2 3.95Å; I38-V40 HydrophobicContact CD1-CG2 3.8Å; I38-V40 HydrophobicContact CG1-CG2 3.87Å; I38-I58 HydrophobicContact CB-CG2 4.12Å; I38-I58 HydrophobicContact CD1-CG2 3.96Å; I38-I58 HydrophobicContact CG2-CG2 4.39Å; I38-A59 CarbonylContact C-O 3.6Å; I38-A59 WeakPolarHBondContact CA-O 3.48Å; I38-I84 HydrophobicContact CD1-CG2 3.72Å; I38-I90 HydrophobicContact CD1-CG2 3.94Å; I38-I90 HydrophobicContact CG1-CG2 3.83Å; I38-I90 HydrophobicContact CG2-CG2 4.17Å; I38-L91 PolarHBondContact N-O 3.2Å; I38-K92 HydrophobicContact CD1-CD 4.26Å; I38-K92 HydrophobicContact CD1-CG 4.02Å; I38-K92 HydrophobicContact CG1-CD 4.41Å; I38-K92 HydrophobicContact CG1-CG 4.04Å; I38-V93 PolarHBondContact O-N 3.26Å
39G98.7Very high91Very high0 Ų052.2 Ų52.20%025%0.248CC..EExtended strand (participates in β ladder)trans-82.9137.6164.300000109.2I58 A59 V93G39-I58 CarbonylContact O-C 3.55Å; G39-I58 WeakPolarHBondContact O-CA 3.36Å; G39-A59 PolarHBondContact N-O 3.21Å; G39-A59 PolarHBondContact O-N 2.91Å; G39-V93 CarbonylContact C-O 3.45Å; G39-V93 WeakPolarHBondContact CA-O 3.19Å
40V98.8Very high89.6Confident1 Ų159.8 Ų59.81%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-130.7132.4178-176.70000110I38 L56 M57 L85 K92 V93 I94 I100I38-V40 HydrophobicContact CD1-CG2 3.8Å; I38-V40 HydrophobicContact CG1-CG2 3.87Å; V40-L56 HydrophobicContact CG1-CD1 4.01Å; V40-M57 WeakPolarHBondContact CA-O 3.47Å; V40-L85 HydrophobicContact CG1-CD2 4.3Å; V40-L85 HydrophobicContact CG2-CD2 4.45Å; V40-K92 HydrophobicContact CG2-CB 4.04Å; V40-K92 HydrophobicContact CG2-CG 3.68Å; V40-V93 PolarHBondContact N-O 2.76Å; V40-I94 HydrophobicContact CB-CD1 4.04Å; V40-I94 HydrophobicContact CB-CG1 3.93Å; V40-I94 HydrophobicContact CG1-CD1 4.35Å; V40-I100 HydrophobicContact CG1-CD1 3.86Å
41G97.1Very high88.8Confident11 Ų1155.3 Ų55.311%0.11327%0.27CS..EExtended strand (participates in β ladder)trans-136.4166.1172.200000110.4M57G41-M57 PolarHBondContact N-O 3.43Å; G41-M57 PolarHBondContact O-N 3.2Å
42G94.3Very high88.3Confident16 Ų1658.5 Ų58.517%0.16528%0.279CS..EExtended strand (participates in β ladder)trans-149.9139175.800000110.8W55G42-W55 VanDerWaalsContact CA-O 3.26Å; G42-W55 WeakPolarHBondContact CA-O 3.33Å
43E91.5Very high88.1Confident29 Ų2958.5 Ų58.514%0.13628%0.279CS..EExtended strand (participates in β ladder)trans-121.7148.2176.8-67.9-65.1170.100110.9C54 W55 M57 W173 M186E43-C54 PolarHBondContact O-N 2.73Å; E43-W55 HydrophobicContact CB-CB 4.25Å; E43-W55 PolarHBondContact N-O 2.97Å; E43-W55 PolarHBondContact O-N 3.27Å; E43-M57 HydrophobicContact CG-CE 3.69Å; E43-M57 HydrophobicContact CG-SD 4.2Å; E43-W173 HydrophobicContact CB-CD2 4.05Å; E43-W173 HydrophobicContact CB-CE3 3.69Å; E43-W173 HydrophobicContact CB-CH2 3.8Å; E43-W173 HydrophobicContact CB-CZ2 4.16Å; E43-W173 HydrophobicContact CB-CZ3 3.56Å; E43-W173 HydrophobicContact CG-CE3 4.32Å; E43-W173 HydrophobicContact CG-CH2 3.5Å; E43-W173 VanDerWaalsContact CG-CH2 3.5Å; E43-W173 HydrophobicContact CG-CZ2 4.01Å; E43-W173 HydrophobicContact CG-CZ3 3.68Å; E43-M186 HydrophobicContact CB-SD 4.29Å; E43-M186 HydrophobicContact CG-CG 3.98Å; E43-M186 HydrophobicContact CG-SD 4.25Å
44G86.8Confident88Confident0 Ų054 Ų540%026%0.26CS..EExtended strand (participates in β ladder)trans172.4179.8-17700000112.3R52G44-R52 VanDerWaalsContact CA-O 3.28Å; G44-R52 WeakPolarHBondContact CA-O 3.37Å
45V82.6Confident88Confident13 Ų1346.7 Ų46.78%0.07923%0.228CC..EExtended strand (participates in β ladder)trans-94.6135.5-179.7-179.50000108.9L47 G51 R52 M170 W173 Y174V45-L47 VanDerWaalsContact C-N 3.33Å; V45-L47 PolarHBondContact O-N 3.22Å; V45-G51 CarbonylContact O-C 3.51Å; V45-G51 WeakPolarHBondContact O-CA 3.29Å; V45-R52 PolarHBondContact N-O 3.26Å; V45-R52 PolarHBondContact O-N 3.38Å; V45-M170 HydrophobicContact CG2-CB 4.33Å; V45-M170 WeakPolarHBondContact CG2-O 3.4Å; V45-W173 HydrophobicContact CG2-CB 4.29Å; V45-Y174 HydrophobicContact CB-CE2 3.8Å; V45-Y174 HydrophobicContact CG1-CE2 4.4Å; V45-Y174 HydrophobicContact CG2-CD2 3.8Å; V45-Y174 HydrophobicContact CG2-CE2 3.37Å
46E77.8Confident88Confident77 Ų7745 Ų4536%0.3622%0.22SC..  trans51.338.8172.8-66.5-178176.900115.8F48 K49 G51 K167E46-F48 PolarHBondContact O-N 3.3Å; E46-K49 HydrophobicContact CB-CB 4.47Å; E46-K49 PolarHBondContact O-N 2.85Å; E46-G51 WeakPolarHBondContact O-CA 3.31Å; E46-G51 PolarHBondContact O-N 3.24Å; E46-K167 WeakPolarHBondContact OE1-CE 3.48Å; E46-K167 IonicContact OE1-NZ 2.89Å; E46-K167 PolarHBondContact OE1-NZ 2.88Å
47L71.9Confident88Confident17 Ų1737.8 Ų37.89%0.08919%0.186CC..THydrogen-bonded Turntrans-51.9-17.2-176.3-63.2176.9000116V45 L53 A99 S103V45-L47 VanDerWaalsContact C-N 3.33Å; V45-L47 PolarHBondContact O-N 3.22Å; L47-L53 HydrophobicContact CD2-CD1 4.21Å; L47-A99 HydrophobicContact CB-CB 3.95Å; L47-S103 PolarHBondContact O-OG 3.23Å
48F67Low88Confident127 Ų12736.1 Ų36.156%0.55718%0.177SC*.THydrogen-bonded Turntrans-101-5.1177.6-64.8-82.1000114.7E46 R98 A99E46-F48 PolarHBondContact O-N 3.3Å; F48-R98 HydrophobicContact CE1-CB 4.26Å; F48-A99 HydrophobicContact CD1-CB 3.86Å; F48-A99 HydrophobicContact CD2-CB 4.02Å; F48-A99 HydrophobicContact CE1-CB 3.35Å; F48-A99 HydrophobicContact CE2-CB 3.52Å; F48-A99 HydrophobicContact CG-CB 4.19Å; F48-A99 HydrophobicContact CZ-CB 3.17Å
49K66.8Low88Confident162 Ų16236.3 Ų36.370%0.70418%0.178SC*.THydrogen-bonded Turntrans-132.950.6-173.1-62.6-175.1179.5-178.90112.5E46 G51E46-K49 HydrophobicContact CB-CB 4.47Å; E46-K49 PolarHBondContact O-N 2.85Å; K49-G51 PolarHBondContact O-N 3.24Å
50N68.5Low87.9Confident166 Ų16636.7 Ų36.789%0.88818%0.18SC*.THydrogen-bonded Turntrans59.623.8-174.1-56.9-24.5000114.2
51G79.4Confident87.5Confident13 Ų1345.3 Ų45.313%0.13422%0.218CC..  trans-69.7-172.417600000113.2V45 E46 K49 Q107V45-G51 CarbonylContact O-C 3.51Å; V45-G51 WeakPolarHBondContact O-CA 3.29Å; E46-G51 WeakPolarHBondContact O-CA 3.31Å; E46-G51 PolarHBondContact O-N 3.24Å; K49-G51 PolarHBondContact O-N 3.24Å; G51-Q107 PolarHBondContact O-NE2 3.28Å
52R88.3Confident87Confident125 Ų12550.1 Ų50.147%0.47224%0.241SC..EExtended strand (participates in β ladder)trans-116.2130.9-171.1-169.5157.8174.8-171.50.3111.2G44 V45 C54 L70 Y174G44-R52 VanDerWaalsContact CA-O 3.28Å; G44-R52 WeakPolarHBondContact CA-O 3.37Å; V45-R52 PolarHBondContact N-O 3.26Å; V45-R52 PolarHBondContact O-N 3.38Å; R52-C54 PolarHBondContact O-N 3.39Å; R52-L70 HydrophobicContact CG-CD2 4.02Å; R52-Y174 HydrophobicContact CB-CE1 4.45Å; R52-Y174 WeakPolarHBondContact CB-OH 3.27Å; R52-Y174 HydrophobicContact CG-CE1 4.49Å
53L93.8Very high87Confident0 Ų052.2 Ų52.20%025%0.246CC..EExtended strand (participates in β ladder)trans-76116.9170-175.967.1000108.4L47 W55 I69 F77 L104 F108L47-L53 HydrophobicContact CD2-CD1 4.21Å; L53-W55 VanDerWaalsContact CD1-O 3.31Å; L53-W55 WeakPolarHBondContact CD1-O 3.48Å; L53-I69 HydrophobicContact CD2-CG1 4.32Å; L53-I69 HydrophobicContact CG-CG1 4.42Å; L53-F77 HydrophobicContact CD2-CZ 4.32Å; L53-L104 HydrophobicContact CD2-CD2 4.15Å; L53-F108 HydrophobicContact CB-CE2 4.06Å; L53-F108 HydrophobicContact CD2-CE2 3.99Å
54C95.1Very high87.3Confident0 Ų050.9 Ų50.90%024%0.239CC..EExtended strand (participates in β ladder)trans-98-35.8-178.8-61.80000111.9E43 R52 I69 L70 W173E43-C54 PolarHBondContact O-N 2.73Å; R52-C54 PolarHBondContact O-N 3.39Å; C54-I69 PolarHBondContact O-N 3.27Å; C54-L70 HydrophobicContact CB-CD1 4.1Å; C54-L70 HydrophobicContact CB-CD2 4.33Å; C54-L70 HydrophobicContact CB-CG 3.95Å; C54-L70 PolarHBondContact O-N 2.89Å; C54-W173 HydrophobicContact CB-CB 4.24Å; C54-W173 WeakPolarHBondContact CB-O 3.47Å
55W96.8Very high87.9Confident2 Ų251.6 Ų51.61%0.00824%0.242CC..EExtended strand (participates in β ladder)trans-135.3138.9-176.4-66.495.9000110.8V17 G42 E43 L53 M57 L66 F67 D68 W173 R176 C178 L183 M186V17-W55 HydrophobicContact CG1-CH2 4.41Å; V17-W55 HydrophobicContact CG1-CZ3 4.27Å; G42-W55 VanDerWaalsContact CA-O 3.26Å; G42-W55 WeakPolarHBondContact CA-O 3.33Å; E43-W55 HydrophobicContact CB-CB 4.25Å; E43-W55 PolarHBondContact N-O 2.97Å; E43-W55 PolarHBondContact O-N 3.27Å; L53-W55 VanDerWaalsContact CD1-O 3.31Å; L53-W55 WeakPolarHBondContact CD1-O 3.48Å; W55-M57 HydrophobicContact CB-SD 4.04Å; W55-L66 HydrophobicContact CE3-CB 4.36Å; W55-L66 HydrophobicContact CZ3-CB 4.4Å; W55-F67 WeakPolarHBondContact CA-O 3.34Å; W55-D68 HydrophobicContact CE3-CB 4.15Å; W55-D68 HydrophobicContact CH2-CB 3.63Å; W55-D68 VanDerWaalsContact CH2-OD2 3.24Å; W55-D68 WeakPolarHBondContact CH2-OD2 3.33Å; W55-D68 HydrophobicContact CZ2-CB 4.35Å; W55-D68 HydrophobicContact CZ3-CB 3.52Å; W55-W173 AromaticContact CD1-CE3 3.91Å; W55-R176 VanDerWaalsContact CE2-NH2 3.27Å; W55-R176 VanDerWaalsContact CZ2-NH2 3.33Å; W55-C178 HydrophobicContact CH2-CB 3.98Å; W55-C178 HydrophobicContact CZ2-CB 3.46Å; W55-C178 VanDerWaalsContact CZ2-CB 3.46Å; W55-L183 HydrophobicContact CH2-CD2 4.35Å; W55-L183 HydrophobicContact CZ3-CD2 4.49Å; W55-M186 HydrophobicContact CB-SD 3.53Å; W55-M186 VanDerWaalsContact CB-SD 3.53Å; W55-M186 HydrophobicContact CD2-CE 3.72Å; W55-M186 HydrophobicContact CD2-SD 3.88Å; W55-M186 HydrophobicContact CE3-CE 4.05Å; W55-M186 HydrophobicContact CE3-SD 4.43Å; W55-M186 HydrophobicContact CG-CE 3.93Å; W55-M186 HydrophobicContact CG-SD 3.44Å
56L98.3Very high88.6Confident0 Ų051 Ų510%024%0.238CC..EExtended strand (participates in β ladder)trans-118.7121.8168.1-179.576.4000108.3V40 I58 F67 I69 F77 L81 L85 I100V40-L56 HydrophobicContact CG1-CD1 4.01Å; L56-I58 HydrophobicContact CD2-CD1 4.14Å; L56-I58 HydrophobicContact CD2-CG1 4.45Å; L56-I58 HydrophobicContact CG-CG1 4.4Å; L56-F67 HydrophobicContact CB-CB 4.27Å; L56-F67 PolarHBondContact N-O 2.86Å; L56-F67 PolarHBondContact O-N 3.12Å; L56-I69 HydrophobicContact CB-CD1 3.9Å; L56-I69 HydrophobicContact CB-CG1 3.81Å; L56-F77 HydrophobicContact CD2-CE1 4.49Å; L56-L81 HydrophobicContact CD2-CD1 3.92Å; L56-L85 HydrophobicContact CD2-CD1 4.24Å; L56-I100 HydrophobicContact CD1-CD1 3.99Å
57M98.3Very high89.6Confident0 Ų047.3 Ų47.30%022%0.221CC..EExtended strand (participates in β ladder)trans-105.2130.3179.3-58.18574.500109.8V40 G41 E43 W55 Y65 L66 M186 S189 V190V40-M57 WeakPolarHBondContact CA-O 3.47Å; G41-M57 PolarHBondContact N-O 3.43Å; G41-M57 PolarHBondContact O-N 3.2Å; E43-M57 HydrophobicContact CG-CE 3.69Å; E43-M57 HydrophobicContact CG-SD 4.2Å; W55-M57 HydrophobicContact CB-SD 4.04Å; M57-Y65 CarbonylContact C-O 3.59Å; M57-Y65 WeakPolarHBondContact CA-O 3.41Å; M57-L66 HydrophobicContact CB-CD2 3.99Å; M57-L66 HydrophobicContact CG-CD2 3.37Å; M57-M186 HydrophobicContact CE-CB 4.26Å; M57-M186 HydrophobicContact CE-CG 4.25Å; M57-M186 HydrophobicContact CG-CB 3.97Å; M57-M186 HydrophobicContact CG-SD 4.41Å; M57-M186 HydrophobicContact SD-CB 4.23Å; M57-M186 HydrophobicContact SD-CG 4.16Å; M57-M186 HydrophobicContact SD-SD 3.89Å; M57-S189 WeakPolarHBondContact CE-OG 3.25Å; M57-V190 HydrophobicContact CB-CG1 3.8Å; M57-V190 HydrophobicContact CB-CG2 4.06Å; M57-V190 HydrophobicContact CE-CG1 4.41Å
58I98.7Very high90.8Very high0 Ų046.7 Ų46.70%022%0.218CC..EExtended strand (participates in β ladder)trans-125.8113.2176.1-59.7-179.2000109.7I32 I38 G39 L56 V64 Y65 F67 L81I32-I58 HydrophobicContact CD1-CB 4.19Å; I32-I58 HydrophobicContact CD1-CD1 4.08Å; I32-I58 HydrophobicContact CD1-CG2 3.96Å; I32-I58 HydrophobicContact CG1-CG2 4.07Å; I32-I58 HydrophobicContact CG2-CG2 3.97Å; I38-I58 HydrophobicContact CB-CG2 4.12Å; I38-I58 HydrophobicContact CD1-CG2 3.96Å; I38-I58 HydrophobicContact CG2-CG2 4.39Å; G39-I58 CarbonylContact O-C 3.55Å; G39-I58 WeakPolarHBondContact O-CA 3.36Å; L56-I58 HydrophobicContact CD2-CD1 4.14Å; L56-I58 HydrophobicContact CD2-CG1 4.45Å; L56-I58 HydrophobicContact CG-CG1 4.4Å; I58-V64 WeakPolarHBondContact O-CA 3.47Å; I58-Y65 PolarHBondContact N-O 3.29Å; I58-Y65 PolarHBondContact O-N 3.08Å; I58-F67 HydrophobicContact CB-CE2 4.45Å; I58-F67 HydrophobicContact CD1-CD2 4.38Å; I58-F67 HydrophobicContact CD1-CE2 3.94Å; I58-F67 HydrophobicContact CG1-CE2 4.3Å; I58-L81 HydrophobicContact CD1-CD2 4.18Å
59A98.3Very high92.3Very high3 Ų340.8 Ų40.83%0.02519%0.192CC..EExtended strand (participates in β ladder)trans-93.9128.1176.100000111.6I38 G39 V64 V190I38-A59 CarbonylContact C-O 3.6Å; I38-A59 WeakPolarHBondContact CA-O 3.48Å; G39-A59 PolarHBondContact N-O 3.21Å; G39-A59 PolarHBondContact O-N 2.91Å; A59-V64 HydrophobicContact CB-CG2 3.97Å; A59-V190 HydrophobicContact CB-CB 3.95Å; A59-V190 HydrophobicContact CB-CG2 3.83Å
60T96.4Very high93.6Very high9 Ų934.6 Ų34.66%0.05517%0.167CC..  trans-100-153.1171.5680000110I32 Q35 K63 Y65 K194I32-T60 HydrophobicContact CG1-CG2 4.28Å; Q35-T60 HydrophobicContact CG-CG2 3.94Å; T60-K63 PolarHBondContact N-O 3.23Å; T60-K63 PolarHBondContact OG1-N 3.39Å; T60-K63 PolarHBondContact OG1-O 3.08Å; T60-Y65 HydrophobicContact CG2-CD2 4.29Å; T60-Y65 HydrophobicContact CG2-CE2 3.96Å; T60-K194 PolarHBondContact O-NZ 2.8Å; T60-K194 VanDerWaalsContact O-NZ 3.08Å
61K89.2Confident94.8Very high181 Ų18131.6 Ų31.679%0.78715%0.15SC*.SBendtrans-75.4-36.9176.5-174.8176.9177.6-179.10112K194K61-K194 VanDerWaalsContact N-NZ 3.19Å
62N86.6Confident95.6Very high112 Ų11231.5 Ų31.560%0.59915%0.146SC*.SBendtrans-137.67.6-167.161-11.8000113.3
63K94.9Very high95.9Very high61 Ų6126.7 Ų26.727%0.26514%0.136SC..  trans-151.2142-177.7-178.2168.2-89.6-174.80110.8N14 V16 T60 Y65N14-K63 WeakPolarHBondContact O-CA 3.38Å; V16-K63 HydrophobicContact CG2-CD 3.76Å; V16-K63 HydrophobicContact CG2-CG 4.27Å; T60-K63 PolarHBondContact N-O 3.23Å; T60-K63 PolarHBondContact OG1-N 3.39Å; T60-K63 PolarHBondContact OG1-O 3.08Å; K63-Y65 HydrophobicContact CB-CE2 4.48Å; K63-Y65 HydrophobicContact CD-CE1 3.75Å; K63-Y65 HydrophobicContact CD-CE2 4.03Å; K63-Y65 VanDerWaalsContact CD-CZ 3.45Å; K63-Y65 WeakPolarHBondContact CD-OH 3.5Å; K63-Y65 HydrophobicContact CG-CD2 4.48Å; K63-Y65 HydrophobicContact CG-CE1 4.31Å; K63-Y65 HydrophobicContact CG-CE2 4Å
64V98.1Very high95.9Very high1 Ų129.1 Ų29.11%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-110135.7170177.40000109.7I13 N14 F15 V16 I58 A59 L66 T187 V190 I191I13-V64 HydrophobicContact CG2-CG2 3.76Å; N14-V64 PolarHBondContact O-N 2.85Å; F15-V64 CarbonylContact C-O 3.48Å; F15-V64 WeakPolarHBondContact CA-O 3.36Å; F15-V64 HydrophobicContact CB-CB 4.14Å; V16-V64 PolarHBondContact N-O 2.89Å; I58-V64 WeakPolarHBondContact O-CA 3.47Å; A59-V64 HydrophobicContact CB-CG2 3.97Å; V64-L66 HydrophobicContact CG1-CD2 3.68Å; V64-L66 HydrophobicContact CG1-CG 4.36Å; V64-T187 HydrophobicContact CB-CG2 4.06Å; V64-T187 HydrophobicContact CG1-CG2 4.33Å; V64-T187 HydrophobicContact CG2-CG2 3.9Å; V64-V190 HydrophobicContact CG1-CG2 3.8Å; V64-V190 HydrophobicContact CG2-CG2 4.13Å; V64-I191 HydrophobicContact CG2-CG2 3.69Å
65Y98.5Very high95.9Very high15 Ų1533.3 Ų33.36%0.05918%0.178CC..EExtended strand (participates in β ladder)trans-108.1125.2173-63.2-83.6000109.1V16 I18 A28 H31 I32 M57 I58 T60 K63 F67V16-Y65 HydrophobicContact CB-CD1 4.11Å; V16-Y65 HydrophobicContact CB-CE1 4.39Å; I18-Y65 HydrophobicContact CD1-CD1 4.22Å; I18-Y65 HydrophobicContact CG1-CD1 4.28Å; A28-Y65 HydrophobicContact CB-CD1 3.48Å; A28-Y65 VanDerWaalsContact CB-CD1 3.48Å; A28-Y65 HydrophobicContact CB-CE1 3.41Å; A28-Y65 VanDerWaalsContact CB-CE1 3.41Å; A28-Y65 HydrophobicContact CB-CG 4.25Å; H31-Y65 AromaticContact ND1-CE2 3.58Å; H31-Y65 AromaticContact ND1-CZ 3.62Å; H31-Y65 PolarHBondContact ND1-OH 3.27Å; I32-Y65 HydrophobicContact CD1-CD2 3.72Å; I32-Y65 HydrophobicContact CD1-CE2 4.22Å; I32-Y65 HydrophobicContact CD1-CG 4.09Å; I32-Y65 HydrophobicContact CG1-CD2 3.8Å; I32-Y65 HydrophobicContact CG1-CE2 3.88Å; M57-Y65 CarbonylContact C-O 3.59Å; M57-Y65 WeakPolarHBondContact CA-O 3.41Å; I58-Y65 PolarHBondContact N-O 3.29Å; I58-Y65 PolarHBondContact O-N 3.08Å; T60-Y65 HydrophobicContact CG2-CD2 4.29Å; T60-Y65 HydrophobicContact CG2-CE2 3.96Å; K63-Y65 HydrophobicContact CB-CE2 4.48Å; K63-Y65 HydrophobicContact CD-CE1 3.75Å; K63-Y65 HydrophobicContact CD-CE2 4.03Å; K63-Y65 VanDerWaalsContact CD-CZ 3.45Å; K63-Y65 WeakPolarHBondContact CD-OH 3.5Å; K63-Y65 HydrophobicContact CG-CD2 4.48Å; K63-Y65 HydrophobicContact CG-CE1 4.31Å; K63-Y65 HydrophobicContact CG-CE2 4Å; Y65-F67 VanDerWaalsContact CB-CE2 3.5Å; Y65-F67 HydrophobicContact CG-CE2 4.41Å
66L98.3Very high96Very high0 Ų033.2 Ų33.20%018%0.177CC..EExtended strand (participates in β ladder)trans-107.597.9177.9-53179.2000107.7F15 V16 V17 I18 W55 M57 V64 L183 M186F15-L66 HydrophobicContact CB-CD1 4.18Å; F15-L66 HydrophobicContact CB-CG 4.35Å; F15-L66 HydrophobicContact CD2-CD1 3.6Å; F15-L66 HydrophobicContact CD2-CG 4.42Å; F15-L66 HydrophobicContact CE2-CD1 4.23Å; F15-L66 HydrophobicContact CG-CD1 4Å; V16-L66 PolarHBondContact O-N 3.43Å; V17-L66 WeakPolarHBondContact CA-O 3.19Å; V17-L66 HydrophobicContact CG2-CD1 4.45Å; I18-L66 PolarHBondContact N-O 2.99Å; W55-L66 HydrophobicContact CE3-CB 4.36Å; W55-L66 HydrophobicContact CZ3-CB 4.4Å; M57-L66 HydrophobicContact CB-CD2 3.99Å; M57-L66 HydrophobicContact CG-CD2 3.37Å; V64-L66 HydrophobicContact CG1-CD2 3.68Å; V64-L66 HydrophobicContact CG1-CG 4.36Å; L66-L183 HydrophobicContact CD1-CB 3.93Å; L66-L183 HydrophobicContact CD1-CD2 3.89Å; L66-L183 HydrophobicContact CD1-CG 4.46Å; L66-M186 HydrophobicContact CD2-CB 4.14Å
67F98.4Very high95.9Very high0 Ų033.5 Ų33.50%018%0.178CC..EExtended strand (participates in β ladder)trans-84.3120.7178.3-65.6-92.4000109.8I18 F25 A28 I32 W55 L56 I58 Y65 I69 L72 L81I18-F67 HydrophobicContact CB-CD1 3.66Å; I18-F67 HydrophobicContact CB-CE1 3.95Å; I18-F67 HydrophobicContact CB-CG 4.26Å; I18-F67 HydrophobicContact CG1-CD1 4.06Å; I18-F67 HydrophobicContact CG1-CE1 3.92Å; I18-F67 HydrophobicContact CG1-CZ 4.28Å; I18-F67 HydrophobicContact CG2-CD1 3.7Å; I18-F67 HydrophobicContact CG2-CE1 3.79Å; I18-F67 WeakPolarHBondContact O-CA 3.37Å; F25-F67 HydrophobicContact CD2-CD1 4.08Å; F25-F67 AromaticContact CD2-CE1 3.88Å; F25-F67 HydrophobicContact CD2-CE1 3.88Å; F25-F67 AromaticContact CE2-CD1 3.92Å; F25-F67 HydrophobicContact CE2-CD1 3.92Å; F25-F67 AromaticContact CE2-CE1 3.8Å; F25-F67 HydrophobicContact CE2-CE1 3.8Å; A28-F67 HydrophobicContact CB-CE1 4.48Å; A28-F67 HydrophobicContact CB-CZ 4.12Å; I32-F67 HydrophobicContact CD1-CE2 3.82Å; I32-F67 HydrophobicContact CD1-CZ 3.78Å; W55-F67 WeakPolarHBondContact CA-O 3.34Å; L56-F67 HydrophobicContact CB-CB 4.27Å; L56-F67 PolarHBondContact N-O 2.86Å; L56-F67 PolarHBondContact O-N 3.12Å; I58-F67 HydrophobicContact CB-CE2 4.45Å; I58-F67 HydrophobicContact CD1-CD2 4.38Å; I58-F67 HydrophobicContact CD1-CE2 3.94Å; I58-F67 HydrophobicContact CG1-CE2 4.3Å; Y65-F67 VanDerWaalsContact CB-CE2 3.5Å; Y65-F67 HydrophobicContact CG-CE2 4.41Å; F67-I69 HydrophobicContact CB-CD1 3.97Å; F67-I69 PolarHBondContact O-N 2.89Å; F67-I69 VanDerWaalsContact O-N 3.14Å; F67-L72 HydrophobicContact CB-CD1 4.01Å; F67-L72 HydrophobicContact CD1-CD1 3.92Å; F67-L72 HydrophobicContact CG-CD1 4.49Å; F67-L81 HydrophobicContact CD1-CD1 4.1Å; F67-L81 HydrophobicContact CD1-CD2 4.31Å; F67-L81 HydrophobicContact CD2-CD2 4.42Å; F67-L81 HydrophobicContact CE1-CD1 4.49Å; F67-L81 HydrophobicContact CE1-CD2 3.93Å; F67-L81 HydrophobicContact CE2-CD2 4.05Å; F67-L81 HydrophobicContact CG-CD1 4.21Å; F67-L81 HydrophobicContact CZ-CD2 3.8Å
68D97.6Very high95.8Very high3 Ų341.8 Ų41.82%0.01621%0.214CC..EExtended strand (participates in β ladder)trans-79.491.3174.9-167.1-27.4000109.9I18 D19 W55 L70 L71 L72 R176I18-D68 PolarHBondContact O-N 3.3Å; D19-D68 HydrophobicContact CB-CB 4.12Å; W55-D68 HydrophobicContact CE3-CB 4.15Å; W55-D68 HydrophobicContact CH2-CB 3.63Å; W55-D68 VanDerWaalsContact CH2-OD2 3.24Å; W55-D68 WeakPolarHBondContact CH2-OD2 3.33Å; W55-D68 HydrophobicContact CZ2-CB 4.35Å; W55-D68 HydrophobicContact CZ3-CB 3.52Å; D68-L70 PolarHBondContact O-N 2.99Å; D68-L70 PolarHBondContact OD1-N 3.48Å; D68-L71 HydrophobicContact CB-CB 4.3Å; D68-L71 HydrophobicContact CB-CD1 4.49Å; D68-L71 PolarHBondContact O-N 3.14Å; D68-L71 PolarHBondContact OD1-N 2.91Å; D68-L71 VanDerWaalsContact OD2-CD1 3.29Å; D68-L71 WeakPolarHBondContact OD2-CD1 3.35Å; D68-L72 WeakPolarHBondContact O-CB 3.43Å; D68-L72 WeakPolarHBondContact O-CG 3.46Å; D68-L72 PolarHBondContact O-N 2.84Å; D68-R176 VanDerWaalsContact CG-NE 3.25Å; D68-R176 IonicContact OD1-CZ 3.3Å; D68-R176 IonicContact OD1-NE 3.44Å; D68-R176 PolarHBondContact OD1-NE 3.35Å; D68-R176 VanDerWaalsContact OD1-NE 3.15Å; D68-R176 IonicContact OD1-NH2 3.29Å; D68-R176 PolarHBondContact OD1-NH2 3.3Å; D68-R176 VanDerWaalsContact OD2-CD 3.25Å; D68-R176 WeakPolarHBondContact OD2-CD 3.3Å; D68-R176 IonicContact OD2-CZ 3.58Å; D68-R176 IonicContact OD2-NE 2.85Å; D68-R176 PolarHBondContact OD2-NE 3.09Å; D68-R176 IonicContact OD2-NH2 2.66Å
69I97.4Very high95.6Very high4 Ų445.5 Ų45.52%0.02123%0.234CC..Hα-helixtrans-69.6-22.3-175.1-57.8-55.2000111.8L53 C54 L56 F67 G73 A76 F77 L81 F108L53-I69 HydrophobicContact CD2-CG1 4.32Å; L53-I69 HydrophobicContact CG-CG1 4.42Å; C54-I69 PolarHBondContact O-N 3.27Å; L56-I69 HydrophobicContact CB-CD1 3.9Å; L56-I69 HydrophobicContact CB-CG1 3.81Å; F67-I69 HydrophobicContact CB-CD1 3.97Å; F67-I69 PolarHBondContact O-N 2.89Å; F67-I69 VanDerWaalsContact O-N 3.14Å; I69-G73 VanDerWaalsContact O-CA 3.3Å; I69-G73 WeakPolarHBondContact O-CA 3.24Å; I69-G73 PolarHBondContact O-N 2.96Å; I69-A76 HydrophobicContact CD1-CB 4.42Å; I69-F77 HydrophobicContact CD1-CE2 4.03Å; I69-F77 HydrophobicContact CD1-CZ 3.97Å; I69-F77 HydrophobicContact CG2-CE2 3.91Å; I69-F77 HydrophobicContact CG2-CZ 4.4Å; I69-L81 HydrophobicContact CD1-CD1 4.28Å; I69-F108 HydrophobicContact CG2-CE1 4.1Å; I69-F108 HydrophobicContact CG2-CE2 4.02Å; I69-F108 HydrophobicContact CG2-CZ 3.42Å; I69-F108 VanDerWaalsContact CG2-CZ 3.42Å
70L94.1Very high95.5Very high32 Ų3245.3 Ų45.317%0.16823%0.233CC..Hα-helixtrans-67.4-43.6173.9-65.1-172.5000111.9R52 C54 D68 Y174R52-L70 HydrophobicContact CG-CD2 4.02Å; C54-L70 HydrophobicContact CB-CD1 4.1Å; C54-L70 HydrophobicContact CB-CD2 4.33Å; C54-L70 HydrophobicContact CB-CG 3.95Å; C54-L70 PolarHBondContact O-N 2.89Å; D68-L70 PolarHBondContact O-N 2.99Å; D68-L70 PolarHBondContact OD1-N 3.48Å; L70-Y174 HydrophobicContact CD1-CD1 3.53Å; L70-Y174 HydrophobicContact CD1-CE1 4.2Å; L70-Y174 HydrophobicContact CD1-CG 4.35Å; L70-Y174 HydrophobicContact CD2-CD1 4.3Å; L70-Y174 HydrophobicContact CD2-CE1 4.16Å
71L95.1Very high95.6Very high103 Ų10344.9 Ų44.954%0.53923%0.231SC..Hα-helixtrans-79.3-44.9179.8-66.7-179.6000112D19 D68 G73D19-L71 HydrophobicContact CB-CD1 3.83Å; D68-L71 HydrophobicContact CB-CB 4.3Å; D68-L71 HydrophobicContact CB-CD1 4.49Å; D68-L71 PolarHBondContact O-N 3.14Å; D68-L71 PolarHBondContact OD1-N 2.91Å; D68-L71 VanDerWaalsContact OD2-CD1 3.29Å; D68-L71 WeakPolarHBondContact OD2-CD1 3.35Å; L71-G73 VanDerWaalsContact C-N 3.34Å; L71-G73 PolarHBondContact O-N 3.24Å
72L96.4Very high96Very high10 Ų1037.3 Ų37.35%0.05220%0.2CC..Hα-helixtrans-73.5-27.4-177.9-59.7171000112.9I18 E20 I21 F25 F67 D68 L75 A76I18-L72 HydrophobicContact CG2-CD1 4.32Å; I18-L72 WeakPolarHBondContact O-CD1 3.23Å; E20-L72 VanDerWaalsContact C-CD2 3.43Å; I21-L72 HydrophobicContact CD1-CD2 3.83Å; I21-L72 HydrophobicContact CG1-CD2 4.08Å; F25-L72 HydrophobicContact CD2-CD1 4.23Å; F25-L72 HydrophobicContact CD2-CD2 4.33Å; F25-L72 HydrophobicContact CE2-CD1 4.23Å; F67-L72 HydrophobicContact CB-CD1 4.01Å; F67-L72 HydrophobicContact CD1-CD1 3.92Å; F67-L72 HydrophobicContact CG-CD1 4.49Å; D68-L72 WeakPolarHBondContact O-CB 3.43Å; D68-L72 WeakPolarHBondContact O-CG 3.46Å; D68-L72 PolarHBondContact O-N 2.84Å; L72-L75 WeakPolarHBondContact O-CB 3.25Å; L72-A76 HydrophobicContact CB-CB 3.72Å; L72-A76 HydrophobicContact CD1-CB 4.05Å
73G93.8Very high96.5Very high24 Ų2436.9 Ų36.925%0.24720%0.196CC..Hα-helixtrans57.2-156.6-178.300000114.2I69 L71 L75 A76I69-G73 VanDerWaalsContact O-CA 3.3Å; I69-G73 WeakPolarHBondContact O-CA 3.24Å; I69-G73 PolarHBondContact O-N 2.96Å; L71-G73 VanDerWaalsContact C-N 3.34Å; L71-G73 PolarHBondContact O-N 3.24Å; G73-L75 PolarHBondContact O-N 2.8Å; G73-L75 VanDerWaalsContact O-N 3.12Å; G73-A76 PolarHBondContact O-N 3.07Å
74A94.3Very high96.7Very high51 Ų5134 Ų3442%0.42118%0.184SC..Hα-helixtrans-63.2-17.4178.200000113.3A76 F77 K78 F108A74-A76 VanDerWaalsContact C-N 3.27Å; A74-A76 PolarHBondContact O-N 2.9Å; A74-F77 PolarHBondContact O-N 3.14Å; A74-K78 PolarHBondContact O-N 2.96Å; A74-F108 HydrophobicContact CB-CD1 4.31Å
75L95.3Very high96.8Very high88 Ų8834 Ų3446%0.46118%0.183SC..Hα-helixtrans-66.2-30.8-179.7-169.460.7000111.7I21 L72 G73 F77 K78 N79I21-L75 HydrophobicContact CD1-CG 4.31Å; I21-L75 HydrophobicContact CG1-CD2 4Å; I21-L75 HydrophobicContact CG1-CG 4.28Å; L72-L75 WeakPolarHBondContact O-CB 3.25Å; G73-L75 PolarHBondContact O-N 2.8Å; G73-L75 VanDerWaalsContact O-N 3.12Å; L75-F77 VanDerWaalsContact C-N 3.29Å; L75-F77 PolarHBondContact O-N 3.26Å; L75-K78 PolarHBondContact O-N 2.62Å; L75-N79 WeakPolarHBondContact CD1-ND2 3.35Å; L75-N79 WeakPolarHBondContact CG-ND2 3.29Å; L75-N79 WeakPolarHBondContact O-CB 3.42Å; L75-N79 PolarHBondContact O-N 3.15Å; L75-N79 PolarHBondContact O-ND2 3.26Å
76A97.4Very high96.8Very high0 Ų036.7 Ų36.70%020%0.197CC..Hα-helixtrans-57-43.7172.900000112.1F25 I69 L72 G73 A74 G80 L81F25-A76 HydrophobicContact CE2-CB 3.96Å; F25-A76 HydrophobicContact CZ-CB 4.34Å; F25-A76 WeakPolarHBondContact CZ-O 3.47Å; I69-A76 HydrophobicContact CD1-CB 4.42Å; L72-A76 HydrophobicContact CB-CB 3.72Å; L72-A76 HydrophobicContact CD1-CB 4.05Å; G73-A76 PolarHBondContact O-N 3.07Å; A74-A76 VanDerWaalsContact C-N 3.27Å; A74-A76 PolarHBondContact O-N 2.9Å; A76-G80 PolarHBondContact O-N 3.26Å; A76-L81 HydrophobicContact CB-CD1 3.67Å; A76-L81 WeakPolarHBondContact O-CG 3.43Å; A76-L81 PolarHBondContact O-N 3.33Å
77F97.9Very high96.8Very high6 Ų638.5 Ų38.53%0.02621%0.207CC..Iπ-helixtrans-71.1-46.7-178.4-65.4-77.1000111.2L53 L56 I69 A74 L75 N79 G80 L81 S82 L85 L104 F108 V110L53-F77 HydrophobicContact CD2-CZ 4.32Å; L56-F77 HydrophobicContact CD2-CE1 4.49Å; I69-F77 HydrophobicContact CD1-CE2 4.03Å; I69-F77 HydrophobicContact CD1-CZ 3.97Å; I69-F77 HydrophobicContact CG2-CE2 3.91Å; I69-F77 HydrophobicContact CG2-CZ 4.4Å; A74-F77 PolarHBondContact O-N 3.14Å; L75-F77 VanDerWaalsContact C-N 3.29Å; L75-F77 PolarHBondContact O-N 3.26Å; F77-N79 VanDerWaalsContact C-N 3.25Å; F77-N79 PolarHBondContact O-N 2.72Å; F77-G80 PolarHBondContact O-N 3.06Å; F77-L81 HydrophobicContact CD1-CB 3.87Å; F77-L81 HydrophobicContact CE1-CB 4.27Å; F77-L81 HydrophobicContact CE1-CD1 4.48Å; F77-S82 WeakPolarHBondContact CB-OG 3.43Å; F77-S82 WeakPolarHBondContact O-CB 3.47Å; F77-S82 PolarHBondContact O-N 3.36Å; F77-S82 PolarHBondContact O-OG 3.22Å; F77-S82 VanDerWaalsContact O-OG 3.08Å; F77-L85 HydrophobicContact CD1-CD1 4.49Å; F77-L85 HydrophobicContact CE1-CD1 4.09Å; F77-L104 HydrophobicContact CD1-CD2 4.48Å; F77-L104 HydrophobicContact CE1-CD2 3.49Å; F77-L104 VanDerWaalsContact CE1-CD2 3.49Å; F77-L104 HydrophobicContact CZ-CD2 3.83Å; F77-F108 HydrophobicContact CD1-CB 4.39Å; F77-F108 HydrophobicContact CD2-CB 3.85Å; F77-F108 AromaticContact CD2-CD1 3.4Å; F77-F108 HydrophobicContact CD2-CD1 3.4Å; F77-F108 HydrophobicContact CD2-CD2 4.1Å; F77-F108 AromaticContact CD2-CE1 3.94Å; F77-F108 HydrophobicContact CD2-CE1 3.94Å; F77-F108 AromaticContact CD2-CG 3.49Å; F77-F108 HydrophobicContact CD2-CG 3.49Å; F77-F108 VanDerWaalsContact CD2-CG 3.49Å; F77-F108 HydrophobicContact CE1-CD2 4.42Å; F77-F108 HydrophobicContact CE2-CB 4.1Å; F77-F108 AromaticContact CE2-CD1 3.43Å; F77-F108 HydrophobicContact CE2-CD1 3.43Å; F77-F108 VanDerWaalsContact CE2-CD1 3.43Å; F77-F108 AromaticContact CE2-CD2 3.47Å; F77-F108 HydrophobicContact CE2-CD2 3.47Å; F77-F108 VanDerWaalsContact CE2-CD2 3.47Å; F77-F108 AromaticContact CE2-CE1 3.61Å; F77-F108 HydrophobicContact CE2-CE1 3.61Å; F77-F108 AromaticContact CE2-CE2 3.67Å; F77-F108 HydrophobicContact CE2-CE2 3.67Å; F77-F108 AromaticContact CE2-CG 3.35Å; F77-F108 HydrophobicContact CE2-CG 3.35Å; F77-F108 AromaticContact CE2-CZ 3.74Å; F77-F108 HydrophobicContact CE2-CZ 3.74Å; F77-F108 HydrophobicContact CG-CB 3.99Å; F77-F108 HydrophobicContact CG-CD1 4.35Å; F77-F108 HydrophobicContact CG-CG 4.13Å; F77-F108 HydrophobicContact CZ-CB 4.47Å; F77-F108 HydrophobicContact CZ-CD1 4.4Å; F77-F108 AromaticContact CZ-CD2 3.66Å; F77-F108 HydrophobicContact CZ-CD2 3.66Å; F77-F108 AromaticContact CZ-CE2 3.96Å; F77-F108 HydrophobicContact CZ-CE2 3.96Å; F77-F108 AromaticContact CZ-CG 3.91Å; F77-F108 HydrophobicContact CZ-CG 3.91Å; F77-F108 HydrophobicContact CZ-CZ 4.44Å; F77-V110 HydrophobicContact CB-CG2 4.28Å; F77-V110 HydrophobicContact CD1-CG2 3.79Å; F77-V110 HydrophobicContact CG-CG2 4.25Å
78K95.6Very high96.7Very high174 Ų17446.3 Ų46.376%0.75724%0.242SC*.Iπ-helixtrans-58.9-33.7175.7-66.9-179.5-178.6-177.80113.1A74 L75A74-K78 PolarHBondContact O-N 2.96Å; L75-K78 PolarHBondContact O-N 2.62Å
79N94Very high96.8Very high78 Ų7853.8 Ų53.842%0.41728%0.276SS..Iπ-helixtrans-93.16.5-177.5-74.1-64.4000115.3F25 L75 F77F25-N79 HydrophobicContact CE1-CB 3.75Å; F25-N79 HydrophobicContact CZ-CB 4.27Å; L75-N79 WeakPolarHBondContact CD1-ND2 3.35Å; L75-N79 WeakPolarHBondContact CG-ND2 3.29Å; L75-N79 WeakPolarHBondContact O-CB 3.42Å; L75-N79 PolarHBondContact O-N 3.15Å; L75-N79 PolarHBondContact O-ND2 3.26Å; F77-N79 VanDerWaalsContact C-N 3.25Å; F77-N79 PolarHBondContact O-N 2.72Å
80G95.8Very high96.8Very high0 Ų054 Ų540%028%0.277CS..Iπ-helixtrans152.4-23.8166.900000117A76 F77 S82 M83 I84A76-G80 PolarHBondContact O-N 3.26Å; F77-G80 PolarHBondContact O-N 3.06Å; G80-S82 VanDerWaalsContact C-N 3.3Å; G80-S82 PolarHBondContact O-N 3.42Å; G80-M83 WeakPolarHBondContact O-CB 3.49Å; G80-M83 PolarHBondContact O-N 3.15Å; G80-I84 PolarHBondContact O-N 3.39Å
81L98.4Very high97Very high0 Ų053.6 Ų53.60%028%0.275CS..Iπ-helixtrans-65.3-35.2-177.9-61177.8000111.7F25 V29 L56 I58 F67 I69 A76 F77 M83 I84 L85F25-L81 HydrophobicContact CE2-CD1 4.41Å; F25-L81 HydrophobicContact CE2-CG 4.4Å; F25-L81 HydrophobicContact CZ-CG 4.2Å; V29-L81 HydrophobicContact CG2-CD2 4.36Å; L56-L81 HydrophobicContact CD2-CD1 3.92Å; I58-L81 HydrophobicContact CD1-CD2 4.18Å; F67-L81 HydrophobicContact CD1-CD1 4.1Å; F67-L81 HydrophobicContact CD1-CD2 4.31Å; F67-L81 HydrophobicContact CD2-CD2 4.42Å; F67-L81 HydrophobicContact CE1-CD1 4.49Å; F67-L81 HydrophobicContact CE1-CD2 3.93Å; F67-L81 HydrophobicContact CE2-CD2 4.05Å; F67-L81 HydrophobicContact CG-CD1 4.21Å; F67-L81 HydrophobicContact CZ-CD2 3.8Å; I69-L81 HydrophobicContact CD1-CD1 4.28Å; A76-L81 HydrophobicContact CB-CD1 3.67Å; A76-L81 WeakPolarHBondContact O-CG 3.43Å; A76-L81 PolarHBondContact O-N 3.33Å; F77-L81 HydrophobicContact CD1-CB 3.87Å; F77-L81 HydrophobicContact CE1-CB 4.27Å; F77-L81 HydrophobicContact CE1-CD1 4.48Å; L81-M83 PolarHBondContact O-N 3.23Å; L81-I84 HydrophobicContact CD2-CD1 4.44Å; L81-I84 PolarHBondContact O-N 3.26Å; L81-L85 WeakPolarHBondContact O-CB 3.23Å; L81-L85 VanDerWaalsContact O-CG 3.27Å; L81-L85 WeakPolarHBondContact O-CG 3.4Å; L81-L85 PolarHBondContact O-N 2.9Å
82S98.4Very high97.2Very high22 Ų2248.7 Ų48.715%0.15425%0.249CC..Hα-helixtrans-59.3-46.9173.4-57.10000111.4F77 G80 I84 L85 E86 V110F77-S82 WeakPolarHBondContact CB-OG 3.43Å; F77-S82 WeakPolarHBondContact O-CB 3.47Å; F77-S82 PolarHBondContact O-N 3.36Å; F77-S82 PolarHBondContact O-OG 3.22Å; F77-S82 VanDerWaalsContact O-OG 3.08Å; G80-S82 VanDerWaalsContact C-N 3.3Å; G80-S82 PolarHBondContact O-N 3.42Å; S82-I84 PolarHBondContact O-N 3.04Å; S82-L85 PolarHBondContact O-N 3.47Å; S82-L85 VanDerWaalsContact O-N 3.15Å; S82-E86 VanDerWaalsContact O-CB 3.31Å; S82-E86 WeakPolarHBondContact O-CB 3.34Å; S82-E86 VanDerWaalsContact O-CG 3.24Å; S82-E86 WeakPolarHBondContact O-CG 3.22Å; S82-E86 PolarHBondContact O-N 3.39Å; S82-V110 VanDerWaalsContact OG-CG2 3.23Å; S82-V110 WeakPolarHBondContact OG-CG2 3.38Å
83M97.9Very high97.3Very high103 Ų10348.2 Ų48.251%0.50725%0.247SC..Hα-helixtrans-57.1-37.7178.8-65.2-170.9-78.100112.6G80 L81 T87G80-M83 WeakPolarHBondContact O-CB 3.49Å; G80-M83 PolarHBondContact O-N 3.15Å; L81-M83 PolarHBondContact O-N 3.23Å; M83-T87 VanDerWaalsContact O-CB 3.24Å; M83-T87 WeakPolarHBondContact O-CB 3.24Å; M83-T87 VanDerWaalsContact O-CG2 3.23Å; M83-T87 WeakPolarHBondContact O-CG2 3.31Å; M83-T87 PolarHBondContact O-N 2.76Å
84I98.6Very high97.6Very high1 Ų147.2 Ų47.21%0.00524%0.236CC..Hα-helixtrans-72.9-43.6178.3-68.8160.7000111.4V29 I32 K33 I38 G80 L81 S82 T87 I90V29-I84 HydrophobicContact CB-CD1 4.47Å; V29-I84 HydrophobicContact CG1-CD1 4Å; I32-I84 HydrophobicContact CB-CD1 3.97Å; I32-I84 HydrophobicContact CG2-CD1 3.7Å; I32-I84 HydrophobicContact CG2-CG1 4.18Å; I32-I84 HydrophobicContact CG2-CG2 3.65Å; K33-I84 HydrophobicContact CG-CD1 4.01Å; K33-I84 HydrophobicContact CG-CG1 3.64Å; I38-I84 HydrophobicContact CD1-CG2 3.72Å; G80-I84 PolarHBondContact O-N 3.39Å; L81-I84 HydrophobicContact CD2-CD1 4.44Å; L81-I84 PolarHBondContact O-N 3.26Å; S82-I84 PolarHBondContact O-N 3.04Å; I84-T87 WeakPolarHBondContact O-CG2 3.43Å; I84-I90 HydrophobicContact CG2-CD1 4.38Å
85L98.8Very high97.8Very high0 Ų046.3 Ų46.30%022%0.223CC..Hα-helixtrans-77.8-30.5-173.9-65.7171.5000112.5V40 L56 F77 L81 S82 K92 L104 V110 L112 T113V40-L85 HydrophobicContact CG1-CD2 4.3Å; V40-L85 HydrophobicContact CG2-CD2 4.45Å; L56-L85 HydrophobicContact CD2-CD1 4.24Å; F77-L85 HydrophobicContact CD1-CD1 4.49Å; F77-L85 HydrophobicContact CE1-CD1 4.09Å; L81-L85 WeakPolarHBondContact O-CB 3.23Å; L81-L85 VanDerWaalsContact O-CG 3.27Å; L81-L85 WeakPolarHBondContact O-CG 3.4Å; L81-L85 PolarHBondContact O-N 2.9Å; S82-L85 PolarHBondContact O-N 3.47Å; S82-L85 VanDerWaalsContact O-N 3.15Å; L85-K92 HydrophobicContact CD2-CG 4.36Å; L85-K92 VanDerWaalsContact O-CE 3.27Å; L85-K92 WeakPolarHBondContact O-CE 3.5Å; L85-K92 PolarHBondContact O-NZ 3.37Å; L85-K92 VanDerWaalsContact O-NZ 3.11Å; L85-L104 HydrophobicContact CD1-CD1 4.1Å; L85-L104 HydrophobicContact CD1-CD2 4.04Å; L85-V110 HydrophobicContact CB-CG1 3.91Å; L85-V110 HydrophobicContact CD1-CG1 4.13Å; L85-L112 HydrophobicContact CB-CD1 4.09Å; L85-L112 HydrophobicContact CD2-CD1 3.96Å; L85-T113 PolarHBondContact O-N 2.96Å
86E98.6Very high97.8Very high72 Ų7243.7 Ų43.734%0.33621%0.209SC..Hα-helixtrans-94.4-16.4-175.6-56.9-173.1127.500113.8S82 V110 K111 T113S82-E86 VanDerWaalsContact O-CB 3.31Å; S82-E86 WeakPolarHBondContact O-CB 3.34Å; S82-E86 VanDerWaalsContact O-CG 3.24Å; S82-E86 WeakPolarHBondContact O-CG 3.22Å; S82-E86 PolarHBondContact O-N 3.39Å; E86-V110 HydrophobicContact CG-CG1 3.86Å; E86-V110 WeakPolarHBondContact OE1-CA 3.24Å; E86-K111 WeakPolarHBondContact CG-O 3.4Å; E86-K111 PolarHBondContact OE1-N 3.02Å; E86-T113 WeakPolarHBondContact O-CG2 3.22Å; E86-T113 PolarHBondContact O-OG1 3.02Å
87T98.4Very high97.8Very high37 Ų3745.1 Ų45.123%0.22722%0.219CC..  trans-69.6141.8178.6-175.70000112.6M83 I84 H89 I90 K92 T113M83-T87 VanDerWaalsContact O-CB 3.24Å; M83-T87 WeakPolarHBondContact O-CB 3.24Å; M83-T87 VanDerWaalsContact O-CG2 3.23Å; M83-T87 WeakPolarHBondContact O-CG2 3.31Å; M83-T87 PolarHBondContact O-N 2.76Å; I84-T87 WeakPolarHBondContact O-CG2 3.43Å; T87-H89 VanDerWaalsContact C-N 3.32Å; T87-H89 PolarHBondContact OG1-CD2 2.83Å; T87-H89 PolarHBondContact OG1-N 3.45Å; T87-I90 HydrophobicContact CG2-CB 3.92Å; T87-I90 HydrophobicContact CG2-CD1 4Å; T87-I90 HydrophobicContact CG2-CG1 3.72Å; T87-K92 PolarHBondContact O-NZ 3.25Å; T87-T113 PolarHBondContact O-OG1 3.38Å
88K98Very high97.7Very high165 Ų16552.3 Ų52.372%0.71725%0.246SC*.SBendtrans-78.2-15.1173.1-64.4-179.4-179176.90113N114K88-N114 PolarHBondContact O-ND2 3.42Å
89H97.9Very high97.5Very high159 Ų15944.5 Ų44.574%0.73621%0.214SC*.SBendtrans-79.1-23.1-175.7-61.7-65.4000114T87T87-H89 VanDerWaalsContact C-N 3.32Å; T87-H89 PolarHBondContact OG1-CD2 2.83Å; T87-H89 PolarHBondContact OG1-N 3.45Å
90I98.6Very high97.5Very high10 Ų1041.3 Ų41.35%0.05120%0.197CC..SBendtrans-107.1121.9177.8-51.9-177.9000107.9Q35 H36 I38 I84 T87 K92 N114Q35-I90 WeakPolarHBondContact O-CG1 3.23Å; H36-I90 WeakPolarHBondContact O-CA 3.27Å; I38-I90 HydrophobicContact CD1-CG2 3.94Å; I38-I90 HydrophobicContact CG1-CG2 3.83Å; I38-I90 HydrophobicContact CG2-CG2 4.17Å; I84-I90 HydrophobicContact CG2-CD1 4.38Å; T87-I90 HydrophobicContact CG2-CB 3.92Å; T87-I90 HydrophobicContact CG2-CD1 4Å; T87-I90 HydrophobicContact CG2-CG1 3.72Å; I90-K92 HydrophobicContact CG2-CD 4.47Å; I90-K92 WeakPolarHBondContact O-CD 3.46Å; I90-K92 WeakPolarHBondContact O-CE 3.42Å; I90-K92 PolarHBondContact O-NZ 3.21Å; I90-N114 PolarHBondContact O-ND2 2.8Å
91L98.9Very high97.5Very high23 Ų2342.8 Ų42.812%0.1221%0.209CC..EExtended strand (participates in β ladder)trans-81.3125.9174.1-178.967.7000109.8H36 V37 I38 N114 F116H36-L91 PolarHBondContact O-N 2.92Å; V37-L91 WeakPolarHBondContact CA-O 3.4Å; V37-L91 HydrophobicContact CG1-CB 4.32Å; V37-L91 HydrophobicContact CG1-CD2 4.2Å; V37-L91 HydrophobicContact CG1-CG 4.44Å; V37-L91 HydrophobicContact CG2-CB 4.19Å; V37-L91 HydrophobicContact CG2-CD2 4.32Å; I38-L91 PolarHBondContact N-O 3.2Å; L91-N114 WeakPolarHBondContact CD1-O 3.48Å; L91-N114 VanDerWaalsContact CD1-OD1 3.32Å; L91-N114 WeakPolarHBondContact CD1-OD1 3.29Å; L91-F116 HydrophobicContact CD1-CB 4.08Å; L91-F116 HydrophobicContact CD2-CB 4.23Å; L91-F116 HydrophobicContact CG-CB 4.3Å
92K98.9Very high97.3Very high0 Ų044.7 Ų44.70%023%0.229CC..EExtended strand (participates in β ladder)trans-97.3113.4174.9-75.171.759.3177.30109.2I38 V40 L85 T87 I90 I94 L112 T113 N114 V115 F116I38-K92 HydrophobicContact CD1-CD 4.26Å; I38-K92 HydrophobicContact CD1-CG 4.02Å; I38-K92 HydrophobicContact CG1-CD 4.41Å; I38-K92 HydrophobicContact CG1-CG 4.04Å; V40-K92 HydrophobicContact CG2-CB 4.04Å; V40-K92 HydrophobicContact CG2-CG 3.68Å; L85-K92 HydrophobicContact CD2-CG 4.36Å; L85-K92 VanDerWaalsContact O-CE 3.27Å; L85-K92 WeakPolarHBondContact O-CE 3.5Å; L85-K92 PolarHBondContact O-NZ 3.37Å; L85-K92 VanDerWaalsContact O-NZ 3.11Å; T87-K92 PolarHBondContact O-NZ 3.25Å; I90-K92 HydrophobicContact CG2-CD 4.47Å; I90-K92 WeakPolarHBondContact O-CD 3.46Å; I90-K92 WeakPolarHBondContact O-CE 3.42Å; I90-K92 PolarHBondContact O-NZ 3.21Å; K92-I94 HydrophobicContact CB-CD1 4.22Å; K92-I94 HydrophobicContact CB-CG1 4.3Å; K92-L112 HydrophobicContact CG-CD1 4.26Å; K92-T113 WeakPolarHBondContact CE-O 3.41Å; K92-T113 PolarHBondContact NZ-O 2.87Å; K92-N114 WeakPolarHBondContact CE-O 2.92Å; K92-N114 PolarHBondContact N-O 2.81Å; K92-V115 HydrophobicContact CB-CG2 4.48Å; K92-V115 CarbonylContact O-C 3.53Å; K92-V115 VanDerWaalsContact O-CA 3.28Å; K92-V115 WeakPolarHBondContact O-CA 3.42Å; K92-F116 PolarHBondContact O-N 2.91Å
93V98.9Very high97.1Very high0 Ų043.9 Ų43.90%022%0.223CC..EExtended strand (participates in β ladder)trans-89.2121.3173.9-168.20000108.4V37 I38 G39 V40 F116 T118 L193 K194 R197V37-V93 HydrophobicContact CG1-CG2 3.48Å; V37-V93 VanDerWaalsContact CG1-CG2 3.48Å; I38-V93 PolarHBondContact O-N 3.26Å; G39-V93 CarbonylContact C-O 3.45Å; G39-V93 WeakPolarHBondContact CA-O 3.19Å; V40-V93 PolarHBondContact N-O 2.76Å; V93-F116 WeakPolarHBondContact CA-O 3.13Å; V93-F116 HydrophobicContact CG1-CD1 4.05Å; V93-F116 HydrophobicContact CG2-CB 4.46Å; V93-T118 HydrophobicContact CG1-CG2 3.72Å; V93-L193 HydrophobicContact CB-CB 4.29Å; V93-L193 HydrophobicContact CG1-CB 3.98Å; V93-L193 WeakPolarHBondContact CG1-O 3.37Å; V93-L193 WeakPolarHBondContact O-CD1 3.38Å; V93-K194 HydrophobicContact CG2-CG 4.47Å; V93-R197 HydrophobicContact CG1-CB 3.86Å; V93-R197 HydrophobicContact CG2-CB 4.29Å
94I98.8Very high96.9Very high3 Ų339 Ų392%0.01520%0.199CC..EExtended strand (participates in β ladder)trans-136153.3-173.6-54.8-174.8000108.5V40 K92 C97 I100 L112 V115 F116 D117 T118V40-I94 HydrophobicContact CB-CD1 4.04Å; V40-I94 HydrophobicContact CB-CG1 3.93Å; V40-I94 HydrophobicContact CG1-CD1 4.35Å; K92-I94 HydrophobicContact CB-CD1 4.22Å; K92-I94 HydrophobicContact CB-CG1 4.3Å; I94-C97 HydrophobicContact CB-CB 4.17Å; I94-C97 HydrophobicContact CD1-CB 4.31Å; I94-C97 HydrophobicContact CG2-CB 3.87Å; I94-I100 HydrophobicContact CD1-CG2 4.27Å; I94-I100 HydrophobicContact CG2-CG2 4.12Å; I94-L112 HydrophobicContact CD1-CD2 3.54Å; I94-V115 HydrophobicContact CB-CG1 4.32Å; I94-V115 HydrophobicContact CD1-CG1 4.24Å; I94-V115 HydrophobicContact CG1-CG1 4.29Å; I94-F116 PolarHBondContact N-O 2.79Å; I94-D117 CarbonylContact O-C 3.54Å; I94-D117 WeakPolarHBondContact O-CA 3.4Å; I94-T118 PolarHBondContact O-N 3.47Å; I94-T118 PolarHBondContact O-OG1 3.18Å; I94-T118 VanDerWaalsContact O-OG1 3.13Å
95H98.1Very high96.8Very high32 Ų3241.1 Ų41.115%0.14822%0.217CC..SBendtrans-106.2118.8166.2-172.486.4000108.9T118 Q119 S139 L141 L193H95-T118 VanDerWaalsContact CA-OG1 3.3Å; H95-T118 WeakPolarHBondContact CA-OG1 3.3Å; H95-T118 VanDerWaalsContact CB-OG1 3.29Å; H95-T118 WeakPolarHBondContact CB-OG1 3.15Å; H95-T118 PolarHBondContact ND1-OG1 3.11Å; H95-Q119 PolarHBondContact NE2-NE2 3.45Å; H95-S139 PolarHBondContact CE1-O 3.19Å; H95-S139 PolarHBondContact NE2-O 3.15Å; H95-L141 HydrophobicContact CB-CB 4.45Å; H95-L141 HydrophobicContact CB-CD1 3.96Å; H95-L141 PolarHBondContact NE2-N 3Å; H95-L141 VanDerWaalsContact NE2-N 3.12Å; H95-L193 HydrophobicContact CB-CD2 3.98Å
96D96.9Very high96.5Very high32 Ų3243.9 Ų43.917%0.17124%0.24CC..SBendtrans53.178.8-175-169.5-3.4000113R98 D117D96-R98 VanDerWaalsContact CG-NH2 3.31Å; D96-R98 PolarHBondContact O-N 2.89Å; D96-R98 VanDerWaalsContact O-N 3.12Å; D96-R98 WeakPolarHBondContact OD1-CB 3.49Å; D96-R98 IonicContact OD1-CZ 3.81Å; D96-R98 PolarHBondContact OD1-N 2.95Å; D96-R98 IonicContact OD1-NE 2.81Å; D96-R98 PolarHBondContact OD1-NE 2.96Å; D96-R98 IonicContact OD1-NH2 2.72Å; D96-R98 PolarHBondContact OD1-NH2 2.73Å; D96-R98 IonicContact OD2-CZ 3.44Å; D96-R98 IonicContact OD2-NE 2.75Å; D96-R98 IonicContact OD2-NH2 3.52Å; D96-R98 PolarHBondContact OD2-NH2 3.11Å; D96-D117 WeakPolarHBondContact CA-OD2 3.46Å; D96-D117 PolarHBondContact N-OD1 2.96Å; D96-D117 VanDerWaalsContact N-OD1 3.13Å; D96-D117 PolarHBondContact N-OD2 3.43Å
97C97.2Very high96.3Very high31 Ų3143.6 Ų43.621%0.20924%0.238CC..THydrogen-bonded Turntrans-72.6-4.3-173.573.60000114.5I94 A99 I100 A101 V115 D117I94-C97 HydrophobicContact CB-CB 4.17Å; I94-C97 HydrophobicContact CD1-CB 4.31Å; I94-C97 HydrophobicContact CG2-CB 3.87Å; C97-A99 PolarHBondContact O-N 3.12Å; C97-I100 HydrophobicContact CB-CG2 4.43Å; C97-I100 WeakPolarHBondContact O-CG2 3.29Å; C97-A101 WeakPolarHBondContact O-CB 3.38Å; C97-A101 PolarHBondContact O-N 2.84Å; C97-V115 HydrophobicContact CB-CG1 4.08Å; C97-D117 PolarHBondContact N-OD2 3.01Å; C97-D117 PolarHBondContact SG-OD2 2.8Å
98R94.9Very high96.1Very high156 Ų15643.6 Ų43.659%0.58924%0.235SC*.Hα-helixtrans-60.8-50.5-171.1-68.5175-69-174.5-2.1112.6F48 D96 G102F48-R98 HydrophobicContact CE1-CB 4.26Å; D96-R98 VanDerWaalsContact CG-NH2 3.31Å; D96-R98 PolarHBondContact O-N 2.89Å; D96-R98 VanDerWaalsContact O-N 3.12Å; D96-R98 WeakPolarHBondContact OD1-CB 3.49Å; D96-R98 IonicContact OD1-CZ 3.81Å; D96-R98 PolarHBondContact OD1-N 2.95Å; D96-R98 IonicContact OD1-NE 2.81Å; D96-R98 PolarHBondContact OD1-NE 2.96Å; D96-R98 IonicContact OD1-NH2 2.72Å; D96-R98 PolarHBondContact OD1-NH2 2.73Å; D96-R98 IonicContact OD2-CZ 3.44Å; D96-R98 IonicContact OD2-NE 2.75Å; D96-R98 IonicContact OD2-NH2 3.52Å; D96-R98 PolarHBondContact OD2-NH2 3.11Å; R98-G102 PolarHBondContact O-N 3.03Å
99A91.8Very high96.1Very high11 Ų1143.6 Ų43.69%0.09124%0.235CC..Hα-helixtrans-64.8-48.6-177.100000112L47 F48 C97 G102 S103L47-A99 HydrophobicContact CB-CB 3.95Å; F48-A99 HydrophobicContact CD1-CB 3.86Å; F48-A99 HydrophobicContact CD2-CB 4.02Å; F48-A99 HydrophobicContact CE1-CB 3.35Å; F48-A99 HydrophobicContact CE2-CB 3.52Å; F48-A99 HydrophobicContact CG-CB 4.19Å; F48-A99 HydrophobicContact CZ-CB 3.17Å; C97-A99 PolarHBondContact O-N 3.12Å; A99-G102 PolarHBondContact O-N 3.41Å; A99-S103 WeakPolarHBondContact O-CB 3.05Å; A99-S103 PolarHBondContact O-N 3.32Å; A99-S103 PolarHBondContact O-OG 2.96Å
100I94.1Very high96.1Very high10 Ų1036.1 Ų36.15%0.05120%0.201CC..Hα-helixtrans-67.9-40.6-177.6-170.6171.9000111.3V40 L56 I94 C97 S103 L104V40-I100 HydrophobicContact CG1-CD1 3.86Å; L56-I100 HydrophobicContact CD1-CD1 3.99Å; I94-I100 HydrophobicContact CD1-CG2 4.27Å; I94-I100 HydrophobicContact CG2-CG2 4.12Å; C97-I100 HydrophobicContact CB-CG2 4.43Å; C97-I100 WeakPolarHBondContact O-CG2 3.29Å; I100-S103 PolarHBondContact O-N 3.41Å; I100-L104 HydrophobicContact CG1-CD1 3.93Å; I100-L104 HydrophobicContact CG1-CG 4.24Å; I100-L104 WeakPolarHBondContact O-CB 3.26Å; I100-L104 VanDerWaalsContact O-CG 3.24Å; I100-L104 WeakPolarHBondContact O-CG 3.47Å; I100-L104 PolarHBondContact O-N 2.81Å
101A95.8Very high96Very high31 Ų3143.1 Ų43.126%0.25623%0.231SC..Hα-helixtrans-62.7-4517600000111.4C97 A105 L112C97-A101 WeakPolarHBondContact O-CB 3.38Å; C97-A101 PolarHBondContact O-N 2.84Å; A101-A105 WeakPolarHBondContact O-CB 3.13Å; A101-A105 PolarHBondContact O-N 3.42Å; A101-L112 HydrophobicContact CB-CD2 4.34Å
102G93.8Very high96Very high41 Ų4143.2 Ų43.242%0.42323%0.231SC..Hα-helixtrans-60.5-45.817500000112.5R98 A99 A105 A106R98-G102 PolarHBondContact O-N 3.03Å; A99-G102 PolarHBondContact O-N 3.41Å; G102-A105 PolarHBondContact O-N 2.79Å; G102-A106 VanDerWaalsContact O-CB 3.25Å; G102-A106 WeakPolarHBondContact O-CB 3.44Å; G102-A106 PolarHBondContact O-N 2.88Å
103S93.6Very high95.9Very high4 Ų444.7 Ų44.73%0.02824%0.241CC..Hα-helixtrans-62-47.9178.6-65.50000112.3L47 A99 I100 A105 A106 Q107L47-S103 PolarHBondContact O-OG 3.23Å; A99-S103 WeakPolarHBondContact O-CB 3.05Å; A99-S103 PolarHBondContact O-N 3.32Å; A99-S103 PolarHBondContact O-OG 2.96Å; I100-S103 PolarHBondContact O-N 3.41Å; S103-A105 PolarHBondContact O-N 3.4Å; S103-A106 PolarHBondContact O-N 3.36Å; S103-Q107 VanDerWaalsContact O-CB 3.29Å; S103-Q107 WeakPolarHBondContact O-CB 3.45Å; S103-Q107 WeakPolarHBondContact O-CG 3.31Å; S103-Q107 PolarHBondContact O-N 2.87Å
104L95.4Very high95.9Very high0 Ų047.8 Ų47.80%026%0.257CS..Hα-helixtrans-60.5-44.9178.2-74.8171.6000112.1L53 F77 L85 I100 F108 K109 V110 L112L53-L104 HydrophobicContact CD2-CD2 4.15Å; F77-L104 HydrophobicContact CD1-CD2 4.48Å; F77-L104 HydrophobicContact CE1-CD2 3.49Å; F77-L104 VanDerWaalsContact CE1-CD2 3.49Å; F77-L104 HydrophobicContact CZ-CD2 3.83Å; L85-L104 HydrophobicContact CD1-CD1 4.1Å; L85-L104 HydrophobicContact CD1-CD2 4.04Å; I100-L104 HydrophobicContact CG1-CD1 3.93Å; I100-L104 HydrophobicContact CG1-CG 4.24Å; I100-L104 WeakPolarHBondContact O-CB 3.26Å; I100-L104 VanDerWaalsContact O-CG 3.24Å; I100-L104 WeakPolarHBondContact O-CG 3.47Å; I100-L104 PolarHBondContact O-N 2.81Å; L104-F108 HydrophobicContact CD2-CD2 4.43Å; L104-F108 CarbonylContact O-C 3.42Å; L104-F108 PolarHBondContact O-N 3.32Å; L104-F108 VanDerWaalsContact O-N 3.08Å; L104-K109 PolarHBondContact O-N 2.97Å; L104-K109 VanDerWaalsContact O-N 3.14Å; L104-V110 CarbonylContact C-O 3.58Å; L104-V110 HydrophobicContact CB-CB 4.15Å; L104-V110 HydrophobicContact CB-CG1 4.4Å; L104-V110 HydrophobicContact CD2-CB 4.48Å; L104-V110 HydrophobicContact CD2-CG1 4.49Å; L104-V110 PolarHBondContact O-N 3.46Å; L104-V110 VanDerWaalsContact O-N 3.11Å; L104-L112 HydrophobicContact CD1-CD1 4.36Å
105A95.3Very high95.9Very high47 Ų4749.9 Ų49.939%0.38827%0.27SS..Hα-helixtrans-67.9-45.718000000111.9A101 G102 S103 K109 V110A101-A105 WeakPolarHBondContact O-CB 3.13Å; A101-A105 PolarHBondContact O-N 3.42Å; G102-A105 PolarHBondContact O-N 2.79Å; S103-A105 PolarHBondContact O-N 3.4Å; A105-K109 WeakPolarHBondContact O-CA 3.4Å; A105-K109 PolarHBondContact O-N 2.89Å; A105-V110 WeakPolarHBondContact CA-O 3.4Å; A105-V110 PolarHBondContact N-O 3.16Å
106A93.6Very high96Very high58 Ų5849.9 Ų49.948%0.47927%0.27SS..Hα-helixtrans-68.5-50.7-176.800000112G102 S103 K109G102-A106 VanDerWaalsContact O-CB 3.25Å; G102-A106 WeakPolarHBondContact O-CB 3.44Å; G102-A106 PolarHBondContact O-N 2.88Å; S103-A106 PolarHBondContact O-N 3.36Å; A106-K109 PolarHBondContact O-NZ 3Å; A106-K109 VanDerWaalsContact O-NZ 3.11Å
107Q93.3Very high96Very high65 Ų6549.5 Ų49.530%0.30427%0.267SS..Hα-helixtrans-86.1-35.9-169.3-63171.554.100113.2G51 S103G51-Q107 PolarHBondContact O-NE2 3.28Å; S103-Q107 VanDerWaalsContact O-CB 3.29Å; S103-Q107 WeakPolarHBondContact O-CB 3.45Å; S103-Q107 WeakPolarHBondContact O-CG 3.31Å; S103-Q107 PolarHBondContact O-N 2.87Å
108F95.4Very high96.1Very high38 Ų3848 Ų4817%0.16726%0.257CS..Hα-helixtrans-123.30.7-169.9-52.8-70.6000114.1L53 I69 A74 F77 L104 V110L53-F108 HydrophobicContact CB-CE2 4.06Å; L53-F108 HydrophobicContact CD2-CE2 3.99Å; I69-F108 HydrophobicContact CG2-CE1 4.1Å; I69-F108 HydrophobicContact CG2-CE2 4.02Å; I69-F108 HydrophobicContact CG2-CZ 3.42Å; I69-F108 VanDerWaalsContact CG2-CZ 3.42Å; A74-F108 HydrophobicContact CB-CD1 4.31Å; F77-F108 HydrophobicContact CD1-CB 4.39Å; F77-F108 HydrophobicContact CD2-CB 3.85Å; F77-F108 AromaticContact CD2-CD1 3.4Å; F77-F108 HydrophobicContact CD2-CD1 3.4Å; F77-F108 HydrophobicContact CD2-CD2 4.1Å; F77-F108 AromaticContact CD2-CE1 3.94Å; F77-F108 HydrophobicContact CD2-CE1 3.94Å; F77-F108 AromaticContact CD2-CG 3.49Å; F77-F108 HydrophobicContact CD2-CG 3.49Å; F77-F108 VanDerWaalsContact CD2-CG 3.49Å; F77-F108 HydrophobicContact CE1-CD2 4.42Å; F77-F108 HydrophobicContact CE2-CB 4.1Å; F77-F108 AromaticContact CE2-CD1 3.43Å; F77-F108 HydrophobicContact CE2-CD1 3.43Å; F77-F108 VanDerWaalsContact CE2-CD1 3.43Å; F77-F108 AromaticContact CE2-CD2 3.47Å; F77-F108 HydrophobicContact CE2-CD2 3.47Å; F77-F108 VanDerWaalsContact CE2-CD2 3.47Å; F77-F108 AromaticContact CE2-CE1 3.61Å; F77-F108 HydrophobicContact CE2-CE1 3.61Å; F77-F108 AromaticContact CE2-CE2 3.67Å; F77-F108 HydrophobicContact CE2-CE2 3.67Å; F77-F108 AromaticContact CE2-CG 3.35Å; F77-F108 HydrophobicContact CE2-CG 3.35Å; F77-F108 AromaticContact CE2-CZ 3.74Å; F77-F108 HydrophobicContact CE2-CZ 3.74Å; F77-F108 HydrophobicContact CG-CB 3.99Å; F77-F108 HydrophobicContact CG-CD1 4.35Å; F77-F108 HydrophobicContact CG-CG 4.13Å; F77-F108 HydrophobicContact CZ-CB 4.47Å; F77-F108 HydrophobicContact CZ-CD1 4.4Å; F77-F108 AromaticContact CZ-CD2 3.66Å; F77-F108 HydrophobicContact CZ-CD2 3.66Å; F77-F108 AromaticContact CZ-CE2 3.96Å; F77-F108 HydrophobicContact CZ-CE2 3.96Å; F77-F108 AromaticContact CZ-CG 3.91Å; F77-F108 HydrophobicContact CZ-CG 3.91Å; F77-F108 HydrophobicContact CZ-CZ 4.44Å; L104-F108 HydrophobicContact CD2-CD2 4.43Å; L104-F108 CarbonylContact O-C 3.42Å; L104-F108 PolarHBondContact O-N 3.32Å; L104-F108 VanDerWaalsContact O-N 3.08Å; F108-V110 HydrophobicContact CB-CG2 4.02Å; F108-V110 PolarHBondContact O-N 3.24Å
109K96.5Very high96.3Very high165 Ų16541.4 Ų41.472%0.71723%0.233SC*.  trans57.330-176.5-50-52.8-180-1570113.1L104 A105 A106L104-K109 PolarHBondContact O-N 2.97Å; L104-K109 VanDerWaalsContact O-N 3.14Å; A105-K109 WeakPolarHBondContact O-CA 3.4Å; A105-K109 PolarHBondContact O-N 2.89Å; A106-K109 PolarHBondContact O-NZ 3Å; A106-K109 VanDerWaalsContact O-NZ 3.11Å
110V97.4Very high96.6Very high1 Ų145 Ų451%0.00625%0.254CS..  trans-95.4122.3178.81730000109.9F77 S82 L85 E86 L104 A105 F108F77-V110 HydrophobicContact CB-CG2 4.28Å; F77-V110 HydrophobicContact CD1-CG2 3.79Å; F77-V110 HydrophobicContact CG-CG2 4.25Å; S82-V110 VanDerWaalsContact OG-CG2 3.23Å; S82-V110 WeakPolarHBondContact OG-CG2 3.38Å; L85-V110 HydrophobicContact CB-CG1 3.91Å; L85-V110 HydrophobicContact CD1-CG1 4.13Å; E86-V110 HydrophobicContact CG-CG1 3.86Å; E86-V110 WeakPolarHBondContact OE1-CA 3.24Å; L104-V110 CarbonylContact C-O 3.58Å; L104-V110 HydrophobicContact CB-CB 4.15Å; L104-V110 HydrophobicContact CB-CG1 4.4Å; L104-V110 HydrophobicContact CD2-CB 4.48Å; L104-V110 HydrophobicContact CD2-CG1 4.49Å; L104-V110 PolarHBondContact O-N 3.46Å; L104-V110 VanDerWaalsContact O-N 3.11Å; A105-V110 WeakPolarHBondContact CA-O 3.4Å; A105-V110 PolarHBondContact N-O 3.16Å; F108-V110 HydrophobicContact CB-CG2 4.02Å; F108-V110 PolarHBondContact O-N 3.24Å
111K97.6Very high96.8Very high157 Ų15744.9 Ų44.968%0.68325%0.254SS*.  trans-96.899.3176.4-174.4178.6-179.8176.50110.7E86 T113E86-K111 WeakPolarHBondContact CG-O 3.4Å; E86-K111 PolarHBondContact OE1-N 3.02Å; K111-T113 WeakPolarHBondContact O-CG2 3.34Å; K111-T113 PolarHBondContact O-N 3.25Å
112L98Very high97Very high25 Ų2543.5 Ų43.513%0.13124%0.243CC..  trans-57.7127.1175.5-167.769.3000111.1L85 K92 I94 A101 L104 V115L85-L112 HydrophobicContact CB-CD1 4.09Å; L85-L112 HydrophobicContact CD2-CD1 3.96Å; K92-L112 HydrophobicContact CG-CD1 4.26Å; I94-L112 HydrophobicContact CD1-CD2 3.54Å; A101-L112 HydrophobicContact CB-CD2 4.34Å; L104-L112 HydrophobicContact CD1-CD1 4.36Å; L112-V115 HydrophobicContact CD1-CG2 4.43Å; L112-V115 HydrophobicContact CD2-CG2 3.6Å; L112-V115 HydrophobicContact CG-CG2 3.58Å
113T98.3Very high97.2Very high32 Ų3242.3 Ų42.320%0.19623%0.229CC..  trans-125.2169.8179.3690000111.2L85 E86 T87 K92 K111 V115L85-T113 PolarHBondContact O-N 2.96Å; E86-T113 WeakPolarHBondContact O-CG2 3.22Å; E86-T113 PolarHBondContact O-OG1 3.02Å; T87-T113 PolarHBondContact O-OG1 3.38Å; K92-T113 WeakPolarHBondContact CE-O 3.41Å; K92-T113 PolarHBondContact NZ-O 2.87Å; K111-T113 WeakPolarHBondContact O-CG2 3.34Å; K111-T113 PolarHBondContact O-N 3.25Å; T113-V115 PolarHBondContact O-N 2.93Å
114N98.6Very high97.4Very high64 Ų6446.4 Ų46.434%0.34225%0.249SC..SBendtrans43.368.6175-166.426.4000113.5K88 I90 L91 K92K88-N114 PolarHBondContact O-ND2 3.42Å; I90-N114 PolarHBondContact O-ND2 2.8Å; L91-N114 WeakPolarHBondContact CD1-O 3.48Å; L91-N114 VanDerWaalsContact CD1-OD1 3.32Å; L91-N114 WeakPolarHBondContact CD1-OD1 3.29Å; K92-N114 WeakPolarHBondContact CE-O 2.92Å; K92-N114 PolarHBondContact N-O 2.81Å
115V98.8Very high97.6Very high48 Ų4846.5 Ų46.529%0.29125%0.25SC..EExtended strand (participates in β ladder)trans-109.9135.6-175.9178.40000109.6K92 I94 C97 L112 T113K92-V115 HydrophobicContact CB-CG2 4.48Å; K92-V115 CarbonylContact O-C 3.53Å; K92-V115 VanDerWaalsContact O-CA 3.28Å; K92-V115 WeakPolarHBondContact O-CA 3.42Å; I94-V115 HydrophobicContact CB-CG1 4.32Å; I94-V115 HydrophobicContact CD1-CG1 4.24Å; I94-V115 HydrophobicContact CG1-CG1 4.29Å; C97-V115 HydrophobicContact CB-CG1 4.08Å; L112-V115 HydrophobicContact CD1-CG2 4.43Å; L112-V115 HydrophobicContact CD2-CG2 3.6Å; L112-V115 HydrophobicContact CG-CG2 3.58Å; T113-V115 PolarHBondContact O-N 2.93Å
116F98.8Very high97.7Very high32 Ų3245.1 Ų45.114%0.1424%0.235CC..EExtended strand (participates in β ladder)trans-102.9110.3161-174.6-81.3000108L91 K92 V93 I94 T118 A121 R197 L200 L201L91-F116 HydrophobicContact CD1-CB 4.08Å; L91-F116 HydrophobicContact CD2-CB 4.23Å; L91-F116 HydrophobicContact CG-CB 4.3Å; K92-F116 PolarHBondContact O-N 2.91Å; V93-F116 WeakPolarHBondContact CA-O 3.13Å; V93-F116 HydrophobicContact CG1-CD1 4.05Å; V93-F116 HydrophobicContact CG2-CB 4.46Å; I94-F116 PolarHBondContact N-O 2.79Å; F116-T118 HydrophobicContact CD1-CG2 4.08Å; F116-T118 HydrophobicContact CE1-CG2 4.05Å; F116-A121 HydrophobicContact CE1-CB 3.78Å; F116-A121 HydrophobicContact CZ-CB 3.6Å; F116-R197 HydrophobicContact CD1-CB 3.92Å; F116-R197 HydrophobicContact CD1-CG 3.83Å; F116-R197 HydrophobicContact CD2-CG 4.11Å; F116-R197 HydrophobicContact CE1-CB 3.85Å; F116-R197 HydrophobicContact CE1-CG 3.83Å; F116-R197 HydrophobicContact CE2-CG 4.11Å; F116-R197 HydrophobicContact CG-CG 3.97Å; F116-R197 HydrophobicContact CZ-CB 4.39Å; F116-R197 HydrophobicContact CZ-CG 3.97Å; F116-L200 HydrophobicContact CE1-CD1 4.46Å; F116-L200 HydrophobicContact CZ-CB 4.39Å; F116-L201 HydrophobicContact CE2-CD1 4.21Å; F116-L201 HydrophobicContact CE2-CD2 3.71Å; F116-L201 HydrophobicContact CE2-CG 3.77Å; F116-L201 HydrophobicContact CZ-CD2 4.34Å; F116-L201 HydrophobicContact CZ-CG 4.05Å
117D98.8Very high97.9Very high23 Ų2345.3 Ų45.312%0.12322%0.223CC..EExtended strand (participates in β ladder)trans-91.9112.9177.3-165.6-44.5000110.4I94 D96 C97 Q119 V120 A121I94-D117 CarbonylContact O-C 3.54Å; I94-D117 WeakPolarHBondContact O-CA 3.4Å; D96-D117 WeakPolarHBondContact CA-OD2 3.46Å; D96-D117 PolarHBondContact N-OD1 2.96Å; D96-D117 VanDerWaalsContact N-OD1 3.13Å; D96-D117 PolarHBondContact N-OD2 3.43Å; C97-D117 PolarHBondContact N-OD2 3.01Å; C97-D117 PolarHBondContact SG-OD2 2.8Å; D117-Q119 VanDerWaalsContact C-N 3.29Å; D117-Q119 PolarHBondContact O-N 3.49Å; D117-Q119 WeakPolarHBondContact OD1-CA 3.42Å; D117-Q119 VanDerWaalsContact OD1-CB 3.3Å; D117-Q119 WeakPolarHBondContact OD1-CB 3.35Å; D117-Q119 PolarHBondContact OD1-N 3.17Å; D117-V120 HydrophobicContact CB-CB 4.11Å; D117-V120 HydrophobicContact CB-CG2 3.91Å; D117-V120 PolarHBondContact O-N 3.15Å; D117-V120 PolarHBondContact OD1-N 3.14Å; D117-A121 WeakPolarHBondContact O-CB 3.42Å; D117-A121 PolarHBondContact O-N 3.26Å
118T98.8Very high98Very high0 Ų044 Ų440%022%0.22CC..Hα-helixtrans-68.1-25.7-178.756.50000113.2V93 I94 H95 F116 D122 L193 L196 L200V93-T118 HydrophobicContact CG1-CG2 3.72Å; I94-T118 PolarHBondContact O-N 3.47Å; I94-T118 PolarHBondContact O-OG1 3.18Å; I94-T118 VanDerWaalsContact O-OG1 3.13Å; H95-T118 VanDerWaalsContact CA-OG1 3.3Å; H95-T118 WeakPolarHBondContact CA-OG1 3.3Å; H95-T118 VanDerWaalsContact CB-OG1 3.29Å; H95-T118 WeakPolarHBondContact CB-OG1 3.15Å; H95-T118 PolarHBondContact ND1-OG1 3.11Å; F116-T118 HydrophobicContact CD1-CG2 4.08Å; F116-T118 HydrophobicContact CE1-CG2 4.05Å; T118-D122 WeakPolarHBondContact O-CB 3.46Å; T118-D122 PolarHBondContact O-N 3.37Å; T118-L193 HydrophobicContact CG2-CD2 4.46Å; T118-L196 HydrophobicContact CG2-CD2 3.96Å; T118-L196 HydrophobicContact CG2-CG 4.14Å; T118-L200 HydrophobicContact CG2-CD1 4.2Å
119Q98.5Very high98Very high17 Ų1747 Ų478%0.07923%0.233CC..Hα-helixtrans-73.1-42176-171.1178.188.700110.8H95 D117 D122 A123 V138 S139H95-Q119 PolarHBondContact NE2-NE2 3.45Å; D117-Q119 VanDerWaalsContact C-N 3.29Å; D117-Q119 PolarHBondContact O-N 3.49Å; D117-Q119 WeakPolarHBondContact OD1-CA 3.42Å; D117-Q119 VanDerWaalsContact OD1-CB 3.3Å; D117-Q119 WeakPolarHBondContact OD1-CB 3.35Å; D117-Q119 PolarHBondContact OD1-N 3.17Å; Q119-D122 PolarHBondContact O-N 3.47Å; Q119-A123 PolarHBondContact O-N 2.8Å; Q119-A123 VanDerWaalsContact O-N 3.08Å; Q119-V138 HydrophobicContact CG-CB 3.68Å; Q119-V138 HydrophobicContact CG-CG1 4.06Å; Q119-V138 HydrophobicContact CG-CG2 4.2Å; Q119-S139 PolarHBondContact NE2-O 3.47Å; Q119-S139 VanDerWaalsContact NE2-O 3.1Å
120V98.6Very high98.1Very high86 Ų8639.2 Ų39.252%0.52120%0.2SC..Hα-helixtrans-64.1-45.2173.6177.50000110.3D117 D122 A123 M124D117-V120 HydrophobicContact CB-CB 4.11Å; D117-V120 HydrophobicContact CB-CG2 3.91Å; D117-V120 PolarHBondContact O-N 3.15Å; D117-V120 PolarHBondContact OD1-N 3.14Å; V120-D122 PolarHBondContact O-N 3.36Å; V120-A123 PolarHBondContact O-N 3.28Å; V120-M124 HydrophobicContact CG1-CG 4.43Å; V120-M124 WeakPolarHBondContact O-CG 3.4Å; V120-M124 PolarHBondContact O-N 3.23Å
121A98.7Very high98Very high8 Ų839.4 Ų39.47%0.06620%0.202CC..Hα-helixtrans-62.1-40.5177.700000112.5F116 D117 M124 C125 L200 L204F116-A121 HydrophobicContact CE1-CB 3.78Å; F116-A121 HydrophobicContact CZ-CB 3.6Å; D117-A121 WeakPolarHBondContact O-CB 3.42Å; D117-A121 PolarHBondContact O-N 3.26Å; A121-M124 PolarHBondContact O-N 2.86Å; A121-C125 WeakPolarHBondContact O-CB 3.32Å; A121-C125 PolarHBondContact O-N 3.17Å; A121-C125 PolarHBondContact O-SG 3.45Å; A121-L200 HydrophobicContact CB-CB 4.19Å; A121-L200 HydrophobicContact CB-CD1 3.93Å; A121-L204 HydrophobicContact CB-CD1 4.34Å
122D98.7Very high97.9Very high2 Ų232.9 Ų32.91%0.01118%0.179CC..Hα-helixtrans-60.8-45.5173.1174.764.1000112.2T118 Q119 V120 M124 C125 F126 S139 V144 H148 L200 R269T118-D122 WeakPolarHBondContact O-CB 3.46Å; T118-D122 PolarHBondContact O-N 3.37Å; Q119-D122 PolarHBondContact O-N 3.47Å; V120-D122 PolarHBondContact O-N 3.36Å; D122-M124 VanDerWaalsContact C-N 3.32Å; D122-M124 PolarHBondContact O-N 3.39Å; D122-C125 WeakPolarHBondContact O-CB 3.45Å; D122-C125 PolarHBondContact O-N 3.45Å; D122-F126 PolarHBondContact O-N 3.46Å; D122-S139 WeakPolarHBondContact OD2-CB 3.37Å; D122-S139 PolarHBondContact OD2-OG 3.34Å; D122-V144 HydrophobicContact CB-CG1 4.15Å; D122-V144 HydrophobicContact CB-CG2 3.99Å; D122-H148 IonicContact OD1-CD2 3.15Å; D122-H148 IonicContact OD1-CE1 3.37Å; D122-H148 IonicContact OD1-NE2 2.62Å; D122-H148 PolarHBondContact OD1-NE2 3.35Å; D122-L200 HydrophobicContact CB-CD2 4.35Å; D122-R269 IonicContact OD1-NH2 3.71Å; D122-R269 PolarHBondContact OD1-NH2 2.85Å; D122-R269 IonicContact OD2-CZ 2.79Å; D122-R269 VanDerWaalsContact OD2-CZ 3.29Å; D122-R269 IonicContact OD2-NH1 3.67Å; D122-R269 PolarHBondContact OD2-NH1 3.15Å; D122-R269 IonicContact OD2-NH2 3.26Å; D122-R269 PolarHBondContact OD2-NH2 3.4Å
123A98.4Very high97.9Very high17 Ų1734 Ų3414%0.1418%0.183CC..Hα-helixtrans-62.3-39.3176.900000112.2Q119 V120 F126 Y127Q119-A123 PolarHBondContact O-N 2.8Å; Q119-A123 VanDerWaalsContact O-N 3.08Å; V120-A123 PolarHBondContact O-N 3.28Å; A123-F126 PolarHBondContact O-N 2.99Å; A123-Y127 WeakPolarHBondContact O-CB 3.46Å; A123-Y127 PolarHBondContact O-N 2.8Å
124M98.3Very high97.8Very high90 Ų9036.8 Ų36.844%0.44320%0.196SC..Hα-helixtrans-68.4-37.7175.2-71.3-65.8-66.900112.6V120 A121 D122 F126 Y127 T128 L204V120-M124 HydrophobicContact CG1-CG 4.43Å; V120-M124 WeakPolarHBondContact O-CG 3.4Å; V120-M124 PolarHBondContact O-N 3.23Å; A121-M124 PolarHBondContact O-N 2.86Å; D122-M124 VanDerWaalsContact C-N 3.32Å; D122-M124 PolarHBondContact O-N 3.39Å; M124-F126 VanDerWaalsContact C-N 3.33Å; M124-Y127 PolarHBondContact O-N 2.89Å; M124-T128 WeakPolarHBondContact O-CB 3.34Å; M124-T128 PolarHBondContact O-N 3.37Å; M124-T128 PolarHBondContact O-OG1 3.43Å; M124-L204 HydrophobicContact CB-CD2 3.71Å
125C98.2Very high97.8Very high2 Ų234.3 Ų34.31%0.01418%0.183CC..Hα-helixtrans-60.8-45172-70.70000110.7A121 D122 T128 K129 T203A121-C125 WeakPolarHBondContact O-CB 3.32Å; A121-C125 PolarHBondContact O-N 3.17Å; A121-C125 PolarHBondContact O-SG 3.45Å; D122-C125 WeakPolarHBondContact O-CB 3.45Å; D122-C125 PolarHBondContact O-N 3.45Å; C125-T128 PolarHBondContact O-N 2.65Å; C125-K129 WeakPolarHBondContact O-CB 3.4Å; C125-K129 VanDerWaalsContact O-CG 3.27Å; C125-K129 WeakPolarHBondContact O-CG 3.45Å; C125-K129 PolarHBondContact O-N 3.26Å; C125-T203 HydrophobicContact CB-CG2 3.79Å; C125-T203 VanDerWaalsContact SG-CG2 3.56Å
126F97.9Very high97.7Very high18 Ų1835.2 Ų35.28%0.07919%0.186CC..Hα-helixtrans-61.2-49.8175.7-173.7-88.5000111.1D122 A123 M124 T128 K129 T130 P135 Y259 L267 R269D122-F126 PolarHBondContact O-N 3.46Å; A123-F126 PolarHBondContact O-N 2.99Å; M124-F126 VanDerWaalsContact C-N 3.33Å; F126-T128 VanDerWaalsContact C-N 3.28Å; F126-T128 PolarHBondContact O-N 3.28Å; F126-K129 PolarHBondContact O-N 3.31Å; F126-K129 VanDerWaalsContact O-N 3.11Å; F126-T130 HydrophobicContact CD1-CG2 3.94Å; F126-T130 HydrophobicContact CD2-CG2 4.47Å; F126-T130 HydrophobicContact CE1-CG2 3.58Å; F126-T130 HydrophobicContact CE2-CG2 4.13Å; F126-T130 HydrophobicContact CG-CG2 4.39Å; F126-T130 HydrophobicContact CZ-CG2 3.69Å; F126-T130 WeakPolarHBondContact O-CG2 3.27Å; F126-T130 PolarHBondContact O-N 3.26Å; F126-T130 PolarHBondContact O-OG1 3.11Å; F126-P135 HydrophobicContact CD1-CB 3.84Å; F126-P135 HydrophobicContact CD1-CG 4.08Å; F126-P135 HydrophobicContact CE1-CB 3.87Å; F126-P135 HydrophobicContact CG-CB 4.34Å; F126-P135 HydrophobicContact CZ-CB 4.42Å; F126-Y259 HydrophobicContact CE2-CE2 4.39Å; F126-Y259 HydrophobicContact CZ-CE2 4.42Å; F126-L267 HydrophobicContact CE1-CB 4.12Å; F126-L267 HydrophobicContact CE1-CD1 4.18Å; F126-L267 HydrophobicContact CZ-CB 4.05Å; F126-L267 HydrophobicContact CZ-CD1 4.24Å; F126-R269 HydrophobicContact CD2-CB 4.29Å; F126-R269 HydrophobicContact CE2-CB 3.54Å; F126-R269 HydrophobicContact CZ-CB 3.69Å
127Y97.8Very high97.6Very high61 Ų6138 Ų3824%0.23920%0.196CC..Hα-helixtrans-53.7-43.8177.9-178-94000112.8A123 M124 T130 G131 G132 F133 L134A123-Y127 WeakPolarHBondContact O-CB 3.46Å; A123-Y127 PolarHBondContact O-N 2.8Å; M124-Y127 PolarHBondContact O-N 2.89Å; Y127-T130 PolarHBondContact O-OG1 3.12Å; Y127-G131 PolarHBondContact O-N 2.98Å; Y127-G132 VanDerWaalsContact CD2-C 3.5Å; Y127-G132 VanDerWaalsContact CE2-CA 3.44Å; Y127-G132 WeakPolarHBondContact CE2-O 3.43Å; Y127-G132 VanDerWaalsContact CZ-CA 3.41Å; Y127-G132 WeakPolarHBondContact O-CA 3.28Å; Y127-G132 PolarHBondContact O-N 3.21Å; Y127-F133 WeakPolarHBondContact CA-O 3.32Å; Y127-L134 HydrophobicContact CD2-CD2 3.68Å; Y127-L134 HydrophobicContact CD2-CG 3.94Å; Y127-L134 HydrophobicContact CE2-CD2 4.36Å; Y127-L134 HydrophobicContact CE2-CG 4.3Å; Y127-L134 HydrophobicContact CG-CD2 4.45Å
128T95.9Very high97.5Very high39 Ų3939.8 Ų39.824%0.23921%0.208CC..Hα-helixtrans-68.6-42.7178.9-53.60000111.4M124 C125 F126 T130 G131 D207 R251M124-T128 WeakPolarHBondContact O-CB 3.34Å; M124-T128 PolarHBondContact O-N 3.37Å; M124-T128 PolarHBondContact O-OG1 3.43Å; C125-T128 PolarHBondContact O-N 2.65Å; F126-T128 VanDerWaalsContact C-N 3.28Å; F126-T128 PolarHBondContact O-N 3.28Å; T128-T130 VanDerWaalsContact C-N 3.29Å; T128-T130 PolarHBondContact O-N 2.82Å; T128-G131 PolarHBondContact O-N 2.85Å; T128-D207 WeakPolarHBondContact CG2-OD2 3.26Å; T128-R251 WeakPolarHBondContact O-CD 3.43Å; T128-R251 PolarHBondContact O-NH1 3.47Å
129K96.2Very high97.4Very high101 Ų10139.9 Ų39.944%0.43921%0.208SC..Hα-helixtrans-66.6-27.8179.1-75.9178.2-178.6-178.90113.6C125 F126 T203 R251C125-K129 WeakPolarHBondContact O-CB 3.4Å; C125-K129 VanDerWaalsContact O-CG 3.27Å; C125-K129 WeakPolarHBondContact O-CG 3.45Å; C125-K129 PolarHBondContact O-N 3.26Å; F126-K129 PolarHBondContact O-N 3.31Å; F126-K129 VanDerWaalsContact O-N 3.11Å; K129-T203 VanDerWaalsContact CE-CG2 3.44Å; K129-R251 WeakPolarHBondContact O-CB 3.41Å; K129-R251 WeakPolarHBondContact O-CD 3.35Å; K129-R251 WeakPolarHBondContact O-CG 3.37Å
130T97.1Very high97.2Very high1 Ų141.8 Ų41.81%0.00622%0.221CC..THydrogen-bonded Turntrans-967.7178.959.60000113F126 Y127 T128 G132 F133 W254 A255 L267F126-T130 HydrophobicContact CD1-CG2 3.94Å; F126-T130 HydrophobicContact CD2-CG2 4.47Å; F126-T130 HydrophobicContact CE1-CG2 3.58Å; F126-T130 HydrophobicContact CE2-CG2 4.13Å; F126-T130 HydrophobicContact CG-CG2 4.39Å; F126-T130 HydrophobicContact CZ-CG2 3.69Å; F126-T130 WeakPolarHBondContact O-CG2 3.27Å; F126-T130 PolarHBondContact O-N 3.26Å; F126-T130 PolarHBondContact O-OG1 3.11Å; Y127-T130 PolarHBondContact O-OG1 3.12Å; T128-T130 VanDerWaalsContact C-N 3.29Å; T128-T130 PolarHBondContact O-N 2.82Å; T130-G132 PolarHBondContact O-N 3.33Å; T130-F133 WeakPolarHBondContact O-CD2 2.72Å; T130-F133 PolarHBondContact OG1-N 3.48Å; T130-F133 PolarHBondContact OG1-O 3.33Å; T130-W254 HydrophobicContact CG2-CZ3 4.48Å; T130-A255 HydrophobicContact CG2-CB 3.9Å; T130-L267 HydrophobicContact CG2-CD1 3.85Å
131G95.9Very high97.1Very high5 Ų538.9 Ų38.95%0.05220%0.202CC..THydrogen-bonded Turntrans68.123.3179.700000113.7Y127 T128 R248 Q252Y127-G131 PolarHBondContact O-N 2.98Å; T128-G131 PolarHBondContact O-N 2.85Å; G131-R248 VanDerWaalsContact O-CG 3.24Å; G131-R248 WeakPolarHBondContact O-CG 3.42Å; G131-R248 PolarHBondContact O-NE 2.89Å; G131-R248 VanDerWaalsContact O-NE 3.08Å; G131-Q252 VanDerWaalsContact O-CG 3.3Å; G131-Q252 WeakPolarHBondContact O-CG 3.39Å; G131-Q252 PolarHBondContact O-NE2 3.14Å
132G96Very high96.9Very high19 Ų1939 Ų3920%0.19620%0.203CC..SBendtrans112.818.1171.900000115.5Y127 T130Y127-G132 VanDerWaalsContact CD2-C 3.5Å; Y127-G132 VanDerWaalsContact CE2-CA 3.44Å; Y127-G132 WeakPolarHBondContact CE2-O 3.43Å; Y127-G132 VanDerWaalsContact CZ-CA 3.41Å; Y127-G132 WeakPolarHBondContact O-CA 3.28Å; Y127-G132 PolarHBondContact O-N 3.21Å; T130-G132 PolarHBondContact O-N 3.33Å
133F97.1Very high96.8Very high50 Ų5041.5 Ų41.522%0.21921%0.214CC..PPolyproline II helixtrans-93.9133.5171-68.8-72.8000111.7Y127 T130 Q252 A255 L267Y127-F133 WeakPolarHBondContact CA-O 3.32Å; T130-F133 WeakPolarHBondContact O-CD2 2.72Å; T130-F133 PolarHBondContact OG1-N 3.48Å; T130-F133 PolarHBondContact OG1-O 3.33Å; F133-Q252 HydrophobicContact CD2-CG 4.31Å; F133-Q252 HydrophobicContact CE2-CB 3.9Å; F133-Q252 HydrophobicContact CE2-CG 3.82Å; F133-A255 HydrophobicContact CD2-CB 4.31Å; F133-L267 HydrophobicContact CB-CD1 3.44Å; F133-L267 VanDerWaalsContact CB-CD1 3.44Å; F133-L267 HydrophobicContact CB-CG 3.71Å; F133-L267 HydrophobicContact CD2-CD1 4.08Å; F133-L267 HydrophobicContact CG-CD1 3.92Å; F133-L267 HydrophobicContact CG-CG 4.14Å
134L97.6Very high96.7Very high89 Ų8940.7 Ų40.747%0.46621%0.207SC..PPolyproline II helixtrans-80.6149.3173.4-71.8171.5000111.1Y127 L266 L267Y127-L134 HydrophobicContact CD2-CD2 3.68Å; Y127-L134 HydrophobicContact CD2-CG 3.94Å; Y127-L134 HydrophobicContact CE2-CD2 4.36Å; Y127-L134 HydrophobicContact CE2-CG 4.3Å; Y127-L134 HydrophobicContact CG-CD2 4.45Å; L134-L266 HydrophobicContact CB-CD2 3.77Å; L134-L267 PolarHBondContact O-N 2.94Å
135P97.8Very high96.6Very high13 Ų1336.4 Ų36.48%0.08419%0.186CC..BIsolated β-bridgetrans-73.9152.9172.132.3-33.6000111.5F126 R137 L267 R269F126-P135 HydrophobicContact CD1-CB 3.84Å; F126-P135 HydrophobicContact CD1-CG 4.08Å; F126-P135 HydrophobicContact CE1-CB 3.87Å; F126-P135 HydrophobicContact CG-CB 4.34Å; F126-P135 HydrophobicContact CZ-CB 4.42Å; P135-R137 WeakPolarHBondContact CB-O 3.4Å; P135-R137 PolarHBondContact O-N 3.15Å; P135-L267 WeakPolarHBondContact CA-O 3.41Å; P135-R269 HydrophobicContact CB-CB 4.18Å; P135-R269 HydrophobicContact CB-CG 4.2Å
136D97.2Very high96.6Very high66 Ų6637.7 Ų37.735%0.35320%0.196SC..SBendtrans-61.8-30.3173.567.8-42.3000113T262 L266 L267 R269D136-T262 HydrophobicContact CB-CG2 4.02Å; D136-L266 HydrophobicContact CB-CB 4.22Å; D136-L267 WeakPolarHBondContact CB-O 3.41Å; D136-L267 PolarHBondContact N-O 3.02Å; D136-R269 PolarHBondContact OD1-N 3.45Å; D136-R269 VanDerWaalsContact OD1-N 3.11Å
137R96.4Very high96.4Very high91 Ų9140.7 Ų40.734%0.34321%0.212SC..SBendtrans-146.7161.1170.571168.5-165.293.6-8113.8P135 E143 R269 F270P135-R137 WeakPolarHBondContact CB-O 3.4Å; P135-R137 PolarHBondContact O-N 3.15Å; R137-E143 IonicContact CZ-OE1 3.73Å; R137-E143 IonicContact CZ-OE2 3.53Å; R137-E143 IonicContact NH1-OE1 3.91Å; R137-E143 IonicContact NH1-OE2 3.02Å; R137-E143 PolarHBondContact NH1-OE2 3.05Å; R137-E143 IonicContact NH2-OE1 2.65Å; R137-E143 PolarHBondContact NH2-OE1 3.34Å; R137-E143 IonicContact NH2-OE2 3.08Å; R137-E143 PolarHBondContact NH2-OE2 3.39Å; R137-E143 VanDerWaalsContact NH2-OE2 3.08Å; R137-R269 WeakPolarHBondContact O-CD 3.32Å; R137-F270 HydrophobicContact CG-CD2 4.12Å; R137-F270 HydrophobicContact CG-CE2 4.07Å; R137-F270 VanDerWaalsContact CZ-CD2 3.48Å; R137-F270 VanDerWaalsContact NE-CD2 3.33Å; R137-F270 VanDerWaalsContact NH2-CD2 3.32Å
138V96.9Very high96.4Very high61 Ų6138.8 Ų38.837%0.3721%0.205SC..PPolyproline II helixtrans-75.9152168.3-650000111.3Q119Q119-V138 HydrophobicContact CG-CB 3.68Å; Q119-V138 HydrophobicContact CG-CG1 4.06Å; Q119-V138 HydrophobicContact CG-CG2 4.2Å
139S95.8Very high96.4Very high1 Ų138.8 Ų38.81%0.00720%0.204CC..PPolyproline II helixtrans-79.1150174.1-56.80000111.8H95 Q119 D122 E143 R269H95-S139 PolarHBondContact CE1-O 3.19Å; H95-S139 PolarHBondContact NE2-O 3.15Å; Q119-S139 PolarHBondContact NE2-O 3.47Å; Q119-S139 VanDerWaalsContact NE2-O 3.1Å; D122-S139 WeakPolarHBondContact OD2-CB 3.37Å; D122-S139 PolarHBondContact OD2-OG 3.34Å; S139-E143 WeakPolarHBondContact CA-OE2 3.33Å; S139-R269 PolarHBondContact OG-NH1 3.22Å; S139-R269 PolarHBondContact OG-NH2 3.37Å; S139-R269 VanDerWaalsContact OG-NH2 3.08Å
140T95.4Very high96.4Very high57 Ų5741.5 Ų41.535%0.3522%0.215SC..PPolyproline II helixtrans-76.4163.1165.464.90000111P142 E143 V144T140-P142 WeakPolarHBondContact OG1-CG 3.46Å; T140-E143 PolarHBondContact N-OE2 2.96Å; T140-E143 WeakPolarHBondContact O-CB 3.35Å; T140-E143 PolarHBondContact O-N 3.37Å; T140-E143 WeakPolarHBondContact OG1-CG 3.34Å; T140-E143 PolarHBondContact OG1-OE2 2.97Å; T140-V144 WeakPolarHBondContact O-CG2 3.29Å; T140-V144 PolarHBondContact O-N 2.94Å
141L95.4Very high96.3Very high25 Ų2542.8 Ų42.813%0.13122%0.223CC..Hα-helixtrans-52.6-52.3176.3178.365.4000113.3H95 E143 V144 V145 L159 S189 L193 L196H95-L141 HydrophobicContact CB-CB 4.45Å; H95-L141 HydrophobicContact CB-CD1 3.96Å; H95-L141 PolarHBondContact NE2-N 3Å; H95-L141 VanDerWaalsContact NE2-N 3.12Å; L141-E143 VanDerWaalsContact C-N 3.28Å; L141-E143 PolarHBondContact O-N 2.89Å; L141-V144 PolarHBondContact O-N 3.43Å; L141-V145 HydrophobicContact CD1-CG2 3.78Å; L141-V145 HydrophobicContact CG-CG2 4.22Å; L141-V145 WeakPolarHBondContact O-CB 3.49Å; L141-V145 VanDerWaalsContact O-CG2 3.29Å; L141-V145 WeakPolarHBondContact O-CG2 3.25Å; L141-V145 PolarHBondContact O-N 2.95Å; L141-L159 HydrophobicContact CD2-CD1 4.34Å; L141-S189 WeakPolarHBondContact CD2-O 3.11Å; L141-L193 HydrophobicContact CD1-CD2 3.85Å; L141-L196 HydrophobicContact CD1-CD2 4.48Å
142P95.5Very high96.2Very high11 Ų1146.3 Ų46.37%0.07125%0.245CC..Hα-helixtrans-61.3-35.8179.822.7-33.7000112.7T140 S146 L156 L159 H160T140-P142 WeakPolarHBondContact OG1-CG 3.46Å; P142-S146 VanDerWaalsContact O-CB 3.31Å; P142-S146 WeakPolarHBondContact O-CB 3.48Å; P142-S146 PolarHBondContact O-N 2.83Å; P142-L156 HydrophobicContact CB-CB 4Å; P142-L156 HydrophobicContact CB-CD1 4.32Å; P142-L156 WeakPolarHBondContact O-CD1 3.35Å; P142-L159 HydrophobicContact CB-CB 4.4Å; P142-L159 HydrophobicContact CB-CD1 4.4Å; P142-L159 HydrophobicContact CG-CB 4.42Å; P142-H160 VanDerWaalsContact CG-CE1 3.45Å; P142-H160 WeakPolarHBondContact CG-CE1 3.34Å; P142-H160 WeakPolarHBondContact CG-NE2 3.24Å
143E95.7Very high95.8Very high54 Ų5449.1 Ų49.125%0.25226%0.262SS..Hα-helixtrans-64.2-46.2175.9-70.7167.2158.400111.9R137 S139 T140 L141 S146 L147R137-E143 IonicContact CZ-OE1 3.73Å; R137-E143 IonicContact CZ-OE2 3.53Å; R137-E143 IonicContact NH1-OE1 3.91Å; R137-E143 IonicContact NH1-OE2 3.02Å; R137-E143 PolarHBondContact NH1-OE2 3.05Å; R137-E143 IonicContact NH2-OE1 2.65Å; R137-E143 PolarHBondContact NH2-OE1 3.34Å; R137-E143 IonicContact NH2-OE2 3.08Å; R137-E143 PolarHBondContact NH2-OE2 3.39Å; R137-E143 VanDerWaalsContact NH2-OE2 3.08Å; S139-E143 WeakPolarHBondContact CA-OE2 3.33Å; T140-E143 PolarHBondContact N-OE2 2.96Å; T140-E143 WeakPolarHBondContact O-CB 3.35Å; T140-E143 PolarHBondContact O-N 3.37Å; T140-E143 WeakPolarHBondContact OG1-CG 3.34Å; T140-E143 PolarHBondContact OG1-OE2 2.97Å; L141-E143 VanDerWaalsContact C-N 3.28Å; L141-E143 PolarHBondContact O-N 2.89Å; E143-S146 PolarHBondContact O-N 3.2Å; E143-L147 WeakPolarHBondContact O-CB 3.4Å; E143-L147 PolarHBondContact O-N 3.13Å
144V96.7Very high95.4Very high0 Ų051 Ų510%028%0.281CS..Hα-helixtrans-66.6-42.4178.9-178.30000111.1D122 T140 L141 L147 H148 L196 L200D122-V144 HydrophobicContact CB-CG1 4.15Å; D122-V144 HydrophobicContact CB-CG2 3.99Å; T140-V144 WeakPolarHBondContact O-CG2 3.29Å; T140-V144 PolarHBondContact O-N 2.94Å; L141-V144 PolarHBondContact O-N 3.43Å; V144-L147 PolarHBondContact O-N 3.08Å; V144-H148 WeakPolarHBondContact O-CB 3.27Å; V144-H148 PolarHBondContact O-CD2 2.94Å; V144-H148 PolarHBondContact O-N 2.9Å; V144-L196 HydrophobicContact CB-CD2 4.25Å; V144-L196 HydrophobicContact CG1-CD1 3.61Å; V144-L196 HydrophobicContact CG1-CD2 3.54Å; V144-L196 HydrophobicContact CG1-CG 4.06Å; V144-L200 HydrophobicContact CG1-CD1 4.46Å
145V96.9Very high95Very high0 Ų053 Ų530%028%0.282CS..Hα-helixtrans-62.2-46.4177.4170.70000110.4L141 L149 V151 L156 H192 L196L141-V145 HydrophobicContact CD1-CG2 3.78Å; L141-V145 HydrophobicContact CG-CG2 4.22Å; L141-V145 WeakPolarHBondContact O-CB 3.49Å; L141-V145 VanDerWaalsContact O-CG2 3.29Å; L141-V145 WeakPolarHBondContact O-CG2 3.25Å; L141-V145 PolarHBondContact O-N 2.95Å; V145-L149 HydrophobicContact CG1-CD1 4.28Å; V145-L149 WeakPolarHBondContact O-CA 3.46Å; V145-L149 VanDerWaalsContact O-CB 3.27Å; V145-L149 WeakPolarHBondContact O-CB 3.29Å; V145-L149 PolarHBondContact O-N 3.11Å; V145-V151 HydrophobicContact CG1-CB 3.98Å; V145-V151 HydrophobicContact CG1-CG2 3.88Å; V145-L156 HydrophobicContact CB-CD1 4.04Å; V145-L156 HydrophobicContact CG1-CD1 3.78Å; V145-L156 HydrophobicContact CG1-CD2 3.93Å; V145-H192 HydrophobicContact CG1-CB 4.08Å; V145-H192 HydrophobicContact CG2-CB 3.75Å; V145-L196 HydrophobicContact CG2-CD2 4.19Å
146S96.4Very high94.6Very high30 Ų3052.4 Ų52.421%0.2128%0.279CS..Hα-helixtrans-62.8-46.3177.7-170.30000111.9P142 E143 H148 K150 V151P142-S146 VanDerWaalsContact O-CB 3.31Å; P142-S146 WeakPolarHBondContact O-CB 3.48Å; P142-S146 PolarHBondContact O-N 2.83Å; E143-S146 PolarHBondContact O-N 3.2Å; S146-H148 PolarHBondContact O-N 2.95Å; S146-K150 VanDerWaalsContact O-CA 3.25Å; S146-K150 WeakPolarHBondContact O-CA 3.28Å; S146-K150 PolarHBondContact O-N 2.92Å; S146-K150 VanDerWaalsContact O-N 3.11Å; S146-V151 WeakPolarHBondContact CA-O 3.25Å; S146-V151 WeakPolarHBondContact CB-O 3.35Å; S146-V151 PolarHBondContact OG-O 3.25Å
147L95.4Very high94.1Very high81 Ų8150.9 Ų50.942%0.42427%0.273SS..Hα-helixtrans-62.4-47.3-176.9178.460.5000112.7E143 V144 K150E143-L147 WeakPolarHBondContact O-CB 3.4Å; E143-L147 PolarHBondContact O-N 3.13Å; V144-L147 PolarHBondContact O-N 3.08Å; L147-K150 WeakPolarHBondContact O-CE 3.33Å; L147-K150 PolarHBondContact O-NZ 3.34Å
148H96.6Very high93.6Very high20 Ų2047.7 Ų47.79%0.09326%0.264CS..Hα-helixtrans-97.8-37.1-169.8-66.8-83.2000113.4D122 V144 S146 L196 V199D122-H148 IonicContact OD1-CD2 3.15Å; D122-H148 IonicContact OD1-CE1 3.37Å; D122-H148 IonicContact OD1-NE2 2.62Å; D122-H148 PolarHBondContact OD1-NE2 3.35Å; V144-H148 WeakPolarHBondContact O-CB 3.27Å; V144-H148 PolarHBondContact O-CD2 2.94Å; V144-H148 PolarHBondContact O-N 2.9Å; S146-H148 PolarHBondContact O-N 2.95Å; H148-L196 HydrophobicContact CB-CD1 3.73Å; H148-V199 HydrophobicContact CB-CG1 4.08Å
149L96.8Very high93.2Very high40 Ų4046 Ų4621%0.20925%0.253CS..Hα-helixtrans-93.7-3.3178.8-57.5-174.1000113.5V145 V151 H192 P195 L196 V199V145-L149 HydrophobicContact CG1-CD1 4.28Å; V145-L149 WeakPolarHBondContact O-CA 3.46Å; V145-L149 VanDerWaalsContact O-CB 3.27Å; V145-L149 WeakPolarHBondContact O-CB 3.29Å; V145-L149 PolarHBondContact O-N 3.11Å; L149-V151 HydrophobicContact CB-CG2 3.98Å; L149-V151 PolarHBondContact O-N 2.9Å; L149-V151 VanDerWaalsContact O-N 3.16Å; L149-H192 HydrophobicContact CD1-CB 3.88Å; L149-P195 HydrophobicContact CD1-CB 4.03Å; L149-P195 HydrophobicContact CD2-CB 4.22Å; L149-L196 HydrophobicContact CD1-CB 4.15Å; L149-L196 HydrophobicContact CG-CB 4.44Å; L149-L196 HydrophobicContact CG-CD1 4.32Å; L149-V199 HydrophobicContact CD2-CB 4.23Å; L149-V199 HydrophobicContact CD2-CG2 3.68Å
150K96.6Very high92.4Very high158 Ų15848.8 Ų48.869%0.68727%0.266SS*.  trans59.922.9-179.8-48-54.3-179.1-171.10113.8S146 L147S146-K150 VanDerWaalsContact O-CA 3.25Å; S146-K150 WeakPolarHBondContact O-CA 3.28Å; S146-K150 PolarHBondContact O-N 2.92Å; S146-K150 VanDerWaalsContact O-N 3.11Å; L147-K150 WeakPolarHBondContact O-CE 3.33Å; L147-K150 PolarHBondContact O-NZ 3.34Å
151V94.1Very high91.2Very high28 Ų2846.6 Ų46.617%0.1725%0.253CS..  trans-70.8128.5173.8-177.90000108.8V145 S146 L149 R155 L156V145-V151 HydrophobicContact CG1-CB 3.98Å; V145-V151 HydrophobicContact CG1-CG2 3.88Å; S146-V151 WeakPolarHBondContact CA-O 3.25Å; S146-V151 WeakPolarHBondContact CB-O 3.35Å; S146-V151 PolarHBondContact OG-O 3.25Å; L149-V151 HydrophobicContact CB-CG2 3.98Å; L149-V151 PolarHBondContact O-N 2.9Å; L149-V151 VanDerWaalsContact O-N 3.16Å; V151-R155 HydrophobicContact CG1-CB 4.12Å; V151-L156 HydrophobicContact CB-CD1 4.19Å; V151-L156 HydrophobicContact CB-CG 4.47Å; V151-L156 HydrophobicContact CG1-CD1 4.12Å; V151-L156 HydrophobicContact CG1-CD2 3.9Å; V151-L156 HydrophobicContact CG1-CG 3.86Å
152P93Very high89.9Confident78 Ų7850.4 Ų50.451%0.50627%0.265SS..  trans-60.9139178.4-25.334.9000112.6S154 R155P152-S154 PolarHBondContact O-N 3.41Å; P152-S154 VanDerWaalsContact O-N 3.12Å; P152-R155 PolarHBondContact O-N 2.97Å
153S88.6Confident88.6Confident79 Ų7954.5 Ų54.555%0.55229%0.294SS*.Hα-helixtrans-58.5-27.4179.7-56.90000113.5R155 L156 S157S153-R155 VanDerWaalsContact C-N 3.31Å; S153-R155 PolarHBondContact O-N 2.9Å; S153-L156 CarbonylContact O-C 3.59Å; S153-L156 PolarHBondContact O-N 3.33Å; S153-L156 VanDerWaalsContact O-N 3.11Å; S153-S157 PolarHBondContact O-N 2.9Å
154S88.7Confident87.3Confident89 Ų8958.3 Ų58.362%0.62231%0.31SS*.Hα-helixtrans-58.2-42.3174.353.50000112.1P152 L156 S157P152-S154 PolarHBondContact O-N 3.41Å; P152-S154 VanDerWaalsContact O-N 3.12Å; S154-L156 VanDerWaalsContact C-N 3.26Å; S154-L156 PolarHBondContact O-N 3.06Å; S154-S157 WeakPolarHBondContact O-CB 3.43Å; S154-S157 PolarHBondContact O-N 3.25Å; S154-S157 PolarHBondContact O-OG 2.99Å
155R88.6Confident86Confident131 Ų13159.8 Ų59.849%0.49432%0.318SS..Hα-helixtrans-72.3-17.2177.6-64.8-72.7-170-178.50.7113D8 V151 P152 S153D8-R155 IonicContact OD1-CZ 3.73Å; D8-R155 IonicContact OD1-NH1 2.89Å; D8-R155 PolarHBondContact OD1-NH1 3.13Å; D8-R155 IonicContact OD1-NH2 3.2Å; D8-R155 PolarHBondContact OD1-NH2 3.19Å; V151-R155 HydrophobicContact CG1-CB 4.12Å; P152-R155 PolarHBondContact O-N 2.97Å; S153-R155 VanDerWaalsContact C-N 3.31Å; S153-R155 PolarHBondContact O-N 2.9Å
156L90.3Very high84.8Confident1 Ų163 Ų631%0.00534%0.337CS..Hα-helixtrans-105.6-1.6-179.5-57.6175000113.4P142 V145 V151 S153 S154 S158 L159 H160P142-L156 HydrophobicContact CB-CB 4Å; P142-L156 HydrophobicContact CB-CD1 4.32Å; P142-L156 WeakPolarHBondContact O-CD1 3.35Å; V145-L156 HydrophobicContact CB-CD1 4.04Å; V145-L156 HydrophobicContact CG1-CD1 3.78Å; V145-L156 HydrophobicContact CG1-CD2 3.93Å; V151-L156 HydrophobicContact CB-CD1 4.19Å; V151-L156 HydrophobicContact CB-CG 4.47Å; V151-L156 HydrophobicContact CG1-CD1 4.12Å; V151-L156 HydrophobicContact CG1-CD2 3.9Å; V151-L156 HydrophobicContact CG1-CG 3.86Å; S153-L156 CarbonylContact O-C 3.59Å; S153-L156 PolarHBondContact O-N 3.33Å; S153-L156 VanDerWaalsContact O-N 3.11Å; S154-L156 VanDerWaalsContact C-N 3.26Å; S154-L156 PolarHBondContact O-N 3.06Å; L156-S158 PolarHBondContact O-N 3.34Å; L156-S158 VanDerWaalsContact O-N 3.15Å; L156-L159 HydrophobicContact CD2-CD1 4.07Å; L156-L159 WeakPolarHBondContact O-CB 3.49Å; L156-L159 PolarHBondContact O-N 3.12Å; L156-H160 PolarHBondContact O-ND1 3.4Å
157S87.1Confident83.5Confident33 Ų3368 Ų6823%0.23136%0.355CS..G310 helixtrans-54.9-36.4-174.858.60000112.7S153 S154 L159 H160 F420S153-S157 PolarHBondContact O-N 2.9Å; S154-S157 WeakPolarHBondContact O-CB 3.43Å; S154-S157 PolarHBondContact O-N 3.25Å; S154-S157 PolarHBondContact O-OG 2.99Å; S157-L159 VanDerWaalsContact C-N 3.29Å; S157-L159 PolarHBondContact O-N 3.36Å; S157-H160 WeakPolarHBondContact O-CB 3.31Å; S157-H160 PolarHBondContact O-N 2.97Å; S157-H160 PolarHBondContact O-ND1 3.19Å; S157-F420 WeakPolarHBondContact OG-CD1 3.4Å
158S86.1Confident82.1Confident24 Ų2470.7 Ų70.717%0.16837%0.366CS..G310 helixtrans-69.7-17.8178.866.10000114.4L156 H160 V161 L188L156-S158 PolarHBondContact O-N 3.34Å; L156-S158 VanDerWaalsContact O-N 3.15Å; S158-H160 PolarHBondContact O-N 3.15Å; S158-V161 WeakPolarHBondContact O-CB 3.33Å; S158-V161 WeakPolarHBondContact O-CG2 3.02Å; S158-V161 PolarHBondContact O-N 3.35Å; S158-L188 WeakPolarHBondContact OG-CD2 3.49Å
159L86.6Confident81.1Confident26 Ų2672.5 Ų72.514%0.13637%0.374CS..G310 helixtrans-72.9-17.2173-65.7-178.9000112.9L141 P142 L156 S157 V161 V185 L188L141-L159 HydrophobicContact CD2-CD1 4.34Å; P142-L159 HydrophobicContact CB-CB 4.4Å; P142-L159 HydrophobicContact CB-CD1 4.4Å; P142-L159 HydrophobicContact CG-CB 4.42Å; L156-L159 HydrophobicContact CD2-CD1 4.07Å; L156-L159 WeakPolarHBondContact O-CB 3.49Å; L156-L159 PolarHBondContact O-N 3.12Å; S157-L159 VanDerWaalsContact C-N 3.29Å; S157-L159 PolarHBondContact O-N 3.36Å; L159-V161 PolarHBondContact O-N 3.35Å; L159-V185 HydrophobicContact CD2-CG1 4.35Å; L159-L188 HydrophobicContact CD1-CD2 4.45Å; L159-L188 HydrophobicContact CD1-CG 4.15Å; L159-L188 HydrophobicContact CD2-CB 3.98Å; L159-L188 HydrophobicContact CD2-CD2 4.11Å; L159-L188 HydrophobicContact CD2-CG 3.87Å; L159-L188 HydrophobicContact CG-CD2 3.94Å; L159-L188 HydrophobicContact CG-CG 4Å
160H80.1Confident80.1Confident60 Ų6072 Ų7228%0.27837%0.371SS..G310 helixtrans-81.14.5176.9-60.684.6000113P142 L156 S157 S158 R162 S163 K164P142-H160 VanDerWaalsContact CG-CE1 3.45Å; P142-H160 WeakPolarHBondContact CG-CE1 3.34Å; P142-H160 WeakPolarHBondContact CG-NE2 3.24Å; L156-H160 PolarHBondContact O-ND1 3.4Å; S157-H160 WeakPolarHBondContact O-CB 3.31Å; S157-H160 PolarHBondContact O-N 2.97Å; S157-H160 PolarHBondContact O-ND1 3.19Å; S158-H160 PolarHBondContact O-N 3.15Å; H160-R162 VanDerWaalsContact C-N 3.27Å; H160-R162 PolarHBondContact O-N 3.3Å; H160-S163 PolarHBondContact O-N 3.4Å; H160-S163 PolarHBondContact O-OG 3.18Å; H160-K164 WeakPolarHBondContact O-CG 3.43Å
161V70.4Confident79.4Confident11 Ų1168.1 Ų68.17%0.06736%0.358CS..Hα-helixtrans-51-50.6178.6164.80000109.6S158 L159 S163 K164 L165 F417S158-V161 WeakPolarHBondContact O-CB 3.33Å; S158-V161 WeakPolarHBondContact O-CG2 3.02Å; S158-V161 PolarHBondContact O-N 3.35Å; L159-V161 PolarHBondContact O-N 3.35Å; V161-S163 VanDerWaalsContact C-N 3.33Å; V161-S163 PolarHBondContact O-N 3.07Å; V161-K164 PolarHBondContact O-N 3.21Å; V161-L165 HydrophobicContact CG1-CD1 3.66Å; V161-L165 HydrophobicContact CG1-CD2 4.13Å; V161-L165 HydrophobicContact CG1-CG 3.94Å; V161-L165 WeakPolarHBondContact O-CG 3.33Å; V161-L165 PolarHBondContact O-N 3.31Å; V161-F417 HydrophobicContact CG1-CZ 4.44Å; V161-F417 HydrophobicContact CG2-CE1 3.93Å; V161-F417 HydrophobicContact CG2-CZ 4.22Å
162R67.9Low78.9Confident104 Ų10467.7 Ų67.739%0.39235%0.354SS..Hα-helixtrans-59.1-35.5-175.3-161.2-178.3121.991.27.2114.8H160 K164H160-R162 VanDerWaalsContact C-N 3.27Å; H160-R162 PolarHBondContact O-N 3.3Å; R162-K164 PolarHBondContact O-N 3.49Å
163S67.9Low78.6Confident97 Ų9764.2 Ų64.268%0.67833%0.331SS*.Hα-helixtrans-75.3-13.4178.454.30000113.5H160 V161H160-S163 PolarHBondContact O-N 3.4Å; H160-S163 PolarHBondContact O-OG 3.18Å; V161-S163 VanDerWaalsContact C-N 3.33Å; V161-S163 PolarHBondContact O-N 3.07Å
164K68Low78.6Confident134 Ų13464.6 Ų64.658%0.58332%0.321SS*.Hα-helixtrans-105.3-9.1-175.8-64.8177.7179.7-178.50113.5H160 V161 R162H160-K164 WeakPolarHBondContact O-CG 3.43Å; V161-K164 PolarHBondContact O-N 3.21Å; R162-K164 PolarHBondContact O-N 3.49Å
165L69.6Low78.6Confident32 Ų3265.7 Ų65.717%0.16831%0.314CS..  trans-86139.2-176.4-64.3178000112.3V161 E169 M170 M172V161-L165 HydrophobicContact CG1-CD1 3.66Å; V161-L165 HydrophobicContact CG1-CD2 4.13Å; V161-L165 HydrophobicContact CG1-CG 3.94Å; V161-L165 WeakPolarHBondContact O-CG 3.33Å; V161-L165 PolarHBondContact O-N 3.31Å; L165-E169 VanDerWaalsContact CA-OE2 3.26Å; L165-E169 WeakPolarHBondContact CA-OE2 3.2Å; L165-E169 HydrophobicContact CB-CB 3.95Å; L165-E169 HydrophobicContact CD2-CB 3.92Å; L165-E169 HydrophobicContact CG-CB 4.34Å; L165-M170 HydrophobicContact CB-CG 4.35Å; L165-M172 HydrophobicContact CD1-CE 3.46Å; L165-M172 VanDerWaalsContact CD1-CE 3.46Å; L165-M172 HydrophobicContact CD1-SD 3.87Å; L165-M172 HydrophobicContact CD2-CE 3.56Å; L165-M172 HydrophobicContact CG-CE 4.13Å
166T72.7Confident78.8Confident66 Ų6662.8 Ų62.841%0.40530%0.303SS..  trans-70171165.981.30000111.4E168 E169 M170T166-E168 VanDerWaalsContact C-N 3.3Å; T166-E168 WeakPolarHBondContact CB-OE2 3.45Å; T166-E168 PolarHBondContact O-N 3.04Å; T166-E168 PolarHBondContact OG1-N 3.35Å; T166-E168 PolarHBondContact OG1-OE2 3.38Å; T166-E169 PolarHBondContact N-OE2 3.42Å; T166-E169 PolarHBondContact O-N 3.19Å; T166-E169 WeakPolarHBondContact OG1-CG 3.43Å; T166-E169 PolarHBondContact OG1-N 3.4Å; T166-M170 WeakPolarHBondContact O-CG 3.42Å; T166-M170 PolarHBondContact O-N 2.96Å
167K69.4Low78.9Confident137 Ų13768.7 Ų68.760%0.59634%0.342SS*.THydrogen-bonded Turntrans-60.1-41.7177.3-169.9175.9-177.2167.30111.7E46 E169 M170E46-K167 WeakPolarHBondContact OE1-CE 3.48Å; E46-K167 IonicContact OE1-NZ 2.89Å; E46-K167 PolarHBondContact OE1-NZ 2.88Å; K167-E169 VanDerWaalsContact C-N 3.34Å; K167-M170 WeakPolarHBondContact O-CB 3.28Å; K167-M170 PolarHBondContact O-N 2.85Å
168E65.9Low79.1Confident136 Ų13667.9 Ų67.964%0.63634%0.336SS*.THydrogen-bonded Turntrans-68.6-34.9178.3-5771.4-151.900111.3T166 M170 D171T166-E168 VanDerWaalsContact C-N 3.3Å; T166-E168 WeakPolarHBondContact CB-OE2 3.45Å; T166-E168 PolarHBondContact O-N 3.04Å; T166-E168 PolarHBondContact OG1-N 3.35Å; T166-E168 PolarHBondContact OG1-OE2 3.38Å; E168-M170 VanDerWaalsContact C-N 3.31Å; E168-M170 PolarHBondContact O-N 3.1Å; E168-D171 WeakPolarHBondContact O-CB 3.36Å; E168-D171 PolarHBondContact O-N 3.4Å
169E74.2Confident79.3Confident59 Ų5969.8 Ų69.828%0.27635%0.348SS..G310 helixtrans-71.6-27.6176.7-66.8176.5142.500112.2L165 T166 K167 D171 M172 L413L165-E169 VanDerWaalsContact CA-OE2 3.26Å; L165-E169 WeakPolarHBondContact CA-OE2 3.2Å; L165-E169 HydrophobicContact CB-CB 3.95Å; L165-E169 HydrophobicContact CD2-CB 3.92Å; L165-E169 HydrophobicContact CG-CB 4.34Å; T166-E169 PolarHBondContact N-OE2 3.42Å; T166-E169 PolarHBondContact O-N 3.19Å; T166-E169 WeakPolarHBondContact OG1-CG 3.43Å; T166-E169 PolarHBondContact OG1-N 3.4Å; K167-E169 VanDerWaalsContact C-N 3.34Å; E169-D171 PolarHBondContact O-N 3.15Å; E169-M172 HydrophobicContact CB-CE 4.36Å; E169-M172 WeakPolarHBondContact O-CB 3.48Å; E169-M172 WeakPolarHBondContact O-CE 3.38Å; E169-M172 VanDerWaalsContact O-CG 3.22Å; E169-M172 WeakPolarHBondContact O-CG 3.39Å; E169-M172 PolarHBondContact O-N 3Å; E169-L413 HydrophobicContact CG-CD1 4.3Å
170M77.2Confident79.5Confident28 Ų2872.5 Ų72.514%0.13837%0.366CS..G310 helixtrans-61.6-20.1171.6-68.8-157.372.400113V45 L165 T166 K167 E168 M172 W173V45-M170 HydrophobicContact CG2-CB 4.33Å; V45-M170 WeakPolarHBondContact CG2-O 3.4Å; L165-M170 HydrophobicContact CB-CG 4.35Å; T166-M170 WeakPolarHBondContact O-CG 3.42Å; T166-M170 PolarHBondContact O-N 2.96Å; K167-M170 WeakPolarHBondContact O-CB 3.28Å; K167-M170 PolarHBondContact O-N 2.85Å; E168-M170 VanDerWaalsContact C-N 3.31Å; E168-M170 PolarHBondContact O-N 3.1Å; M170-M172 PolarHBondContact O-N 3.48Å; M170-W173 PolarHBondContact O-N 3.27Å; M170-W173 VanDerWaalsContact O-N 3.17Å
171D81.3Confident79.9Confident78 Ų7872.6 Ų72.642%0.41737%0.371SS..G310 helixtrans-65.4-9.9174.3-68.8-24.9000112.9E168 E169 W173 Y174E168-D171 WeakPolarHBondContact O-CB 3.36Å; E168-D171 PolarHBondContact O-N 3.4Å; E169-D171 PolarHBondContact O-N 3.15Å; D171-W173 PolarHBondContact O-N 3.08Å; D171-W173 VanDerWaalsContact O-N 3.14Å; D171-Y174 WeakPolarHBondContact O-CB 3.49Å; D171-Y174 PolarHBondContact O-N 3.44Å
172M83.5Confident80.9Confident19 Ų1972.2 Ų72.29%0.09437%0.369CS..G310 helixtrans-55.6-29.4170.474.9174.266.400112.9L165 E169 M170 Y174 K175 L182 L413L165-M172 HydrophobicContact CD1-CE 3.46Å; L165-M172 VanDerWaalsContact CD1-CE 3.46Å; L165-M172 HydrophobicContact CD1-SD 3.87Å; L165-M172 HydrophobicContact CD2-CE 3.56Å; L165-M172 HydrophobicContact CG-CE 4.13Å; E169-M172 HydrophobicContact CB-CE 4.36Å; E169-M172 WeakPolarHBondContact O-CB 3.48Å; E169-M172 WeakPolarHBondContact O-CE 3.38Å; E169-M172 VanDerWaalsContact O-CG 3.22Å; E169-M172 WeakPolarHBondContact O-CG 3.39Å; E169-M172 PolarHBondContact O-N 3Å; M170-M172 PolarHBondContact O-N 3.48Å; M172-Y174 PolarHBondContact O-N 3Å; M172-K175 PolarHBondContact O-N 3.43Å; M172-K175 VanDerWaalsContact O-N 3.15Å; M172-L182 HydrophobicContact CG-CD2 4.01Å; M172-L182 HydrophobicContact SD-CD1 3.98Å; M172-L182 HydrophobicContact SD-CD2 4.01Å; M172-L413 HydrophobicContact CE-CD2 3.53Å
173W86.1Confident82.1Confident4 Ų468 Ų682%0.01535%0.354CS..G310 helixtrans-66.9-20177.4-61.7116.8000113E43 V45 C54 W55 M170 D171 R176 L182 M186E43-W173 HydrophobicContact CB-CD2 4.05Å; E43-W173 HydrophobicContact CB-CE3 3.69Å; E43-W173 HydrophobicContact CB-CH2 3.8Å; E43-W173 HydrophobicContact CB-CZ2 4.16Å; E43-W173 HydrophobicContact CB-CZ3 3.56Å; E43-W173 HydrophobicContact CG-CE3 4.32Å; E43-W173 HydrophobicContact CG-CH2 3.5Å; E43-W173 VanDerWaalsContact CG-CH2 3.5Å; E43-W173 HydrophobicContact CG-CZ2 4.01Å; E43-W173 HydrophobicContact CG-CZ3 3.68Å; V45-W173 HydrophobicContact CG2-CB 4.29Å; C54-W173 HydrophobicContact CB-CB 4.24Å; C54-W173 WeakPolarHBondContact CB-O 3.47Å; W55-W173 AromaticContact CD1-CE3 3.91Å; M170-W173 PolarHBondContact O-N 3.27Å; M170-W173 VanDerWaalsContact O-N 3.17Å; D171-W173 PolarHBondContact O-N 3.08Å; D171-W173 VanDerWaalsContact O-N 3.14Å; W173-R176 PolarHBondContact O-NH1 3.01Å; W173-L182 HydrophobicContact CD2-CD2 4.32Å; W173-L182 HydrophobicContact CE3-CD1 4.29Å; W173-L182 HydrophobicContact CE3-CD2 3.68Å; W173-L182 HydrophobicContact CE3-CG 4.07Å; W173-L182 HydrophobicContact CH2-CD1 3.35Å; W173-L182 HydrophobicContact CH2-CD2 4.29Å; W173-L182 HydrophobicContact CH2-CG 3.89Å; W173-L182 HydrophobicContact CZ2-CD1 3.95Å; W173-L182 HydrophobicContact CZ3-CD1 3.54Å; W173-L182 HydrophobicContact CZ3-CD2 3.66Å; W173-L182 HydrophobicContact CZ3-CG 3.49Å; W173-L182 VanDerWaalsContact CZ3-CG 3.49Å; W173-M186 HydrophobicContact CE3-SD 4.41Å; W173-M186 HydrophobicContact CH2-CG 4.07Å; W173-M186 HydrophobicContact CZ3-CE 4.45Å; W173-M186 HydrophobicContact CZ3-CG 3.7Å; W173-M186 HydrophobicContact CZ3-SD 3.69Å
174Y89.1Confident83.2Confident87 Ų8769.9 Ų69.934%0.34135%0.35SS..G310 helixtrans-86.6-22.7173.7-73-73.1000113.9V45 R52 L70 D171 M172 R176V45-Y174 HydrophobicContact CB-CE2 3.8Å; V45-Y174 HydrophobicContact CG1-CE2 4.4Å; V45-Y174 HydrophobicContact CG2-CD2 3.8Å; V45-Y174 HydrophobicContact CG2-CE2 3.37Å; R52-Y174 HydrophobicContact CB-CE1 4.45Å; R52-Y174 WeakPolarHBondContact CB-OH 3.27Å; R52-Y174 HydrophobicContact CG-CE1 4.49Å; L70-Y174 HydrophobicContact CD1-CD1 3.53Å; L70-Y174 HydrophobicContact CD1-CE1 4.2Å; L70-Y174 HydrophobicContact CD1-CG 4.35Å; L70-Y174 HydrophobicContact CD2-CD1 4.3Å; L70-Y174 HydrophobicContact CD2-CE1 4.16Å; D171-Y174 WeakPolarHBondContact O-CB 3.49Å; D171-Y174 PolarHBondContact O-N 3.44Å; M172-Y174 PolarHBondContact O-N 3Å; Y174-R176 PolarHBondContact O-NH1 3.47Å
175K88.9Confident84.3Confident112 Ų11264 Ų6449%0.48733%0.326SS..  trans-66.1136.5-173.8-66.9-175.7-179.4177.70111.5M172M172-K175 PolarHBondContact O-N 3.43Å; M172-K175 VanDerWaalsContact O-N 3.15Å
176R92.6Very high85.5Confident70 Ų7062.5 Ų62.526%0.26432%0.318SS..SBendtrans-131.4138.6175.1-62.3-61179.5-92.86.3110.5W55 D68 W173 Y174W55-R176 VanDerWaalsContact CE2-NH2 3.27Å; W55-R176 VanDerWaalsContact CZ2-NH2 3.33Å; D68-R176 VanDerWaalsContact CG-NE 3.25Å; D68-R176 IonicContact OD1-CZ 3.3Å; D68-R176 IonicContact OD1-NE 3.44Å; D68-R176 PolarHBondContact OD1-NE 3.35Å; D68-R176 VanDerWaalsContact OD1-NE 3.15Å; D68-R176 IonicContact OD1-NH2 3.29Å; D68-R176 PolarHBondContact OD1-NH2 3.3Å; D68-R176 VanDerWaalsContact OD2-CD 3.25Å; D68-R176 WeakPolarHBondContact OD2-CD 3.3Å; D68-R176 IonicContact OD2-CZ 3.58Å; D68-R176 IonicContact OD2-NE 2.85Å; D68-R176 PolarHBondContact OD2-NE 3.09Å; D68-R176 IonicContact OD2-NH2 2.66Å; W173-R176 PolarHBondContact O-NH1 3.01Å; Y174-R176 PolarHBondContact O-NH1 3.47Å
177P91.3Very high86.6Confident125 Ų12559.8 Ų59.881%0.81230%0.301SS*.SBendcis-63.1149.7-7.928.9-35.1000111.8
178C92.1Very high87.7Confident17 Ų1754.8 Ų54.812%0.11528%0.28CS..PPolyproline II helixtrans-70.1130.9-179-173.30000110.4W55 V180 L183W55-C178 HydrophobicContact CH2-CB 3.98Å; W55-C178 HydrophobicContact CZ2-CB 3.46Å; W55-C178 VanDerWaalsContact CZ2-CB 3.46Å; C178-V180 PolarHBondContact O-N 2.91Å; C178-L183 HydrophobicContact CB-CD2 3.91Å; C178-L183 HydrophobicContact CB-CG 4.45Å
179P90.8Very high89Confident63 Ų6349.1 Ų49.141%0.40926%0.256SS..PPolyproline II helixtrans-58.9133.2178.8-24.934.4000112.2P181 L182 L183P179-P181 VanDerWaalsContact C-CD 3.41Å; P179-P181 VanDerWaalsContact C-N 3.33Å; P179-L182 WeakPolarHBondContact O-CA 3.3Å; P179-L182 VanDerWaalsContact O-CB 3.29Å; P179-L182 WeakPolarHBondContact O-CB 3.33Å; P179-L182 PolarHBondContact O-N 3.15Å; P179-L183 PolarHBondContact O-N 3.29Å
180V90.8Very high90.1Very high84 Ų8446.3 Ų46.351%0.50924%0.243SC..Hα-helixtrans-52.7-40-179.9178.10000113.9C178 L182 L183 K184C178-V180 PolarHBondContact O-N 2.91Å; V180-L182 PolarHBondContact O-N 2.96Å; V180-L183 WeakPolarHBondContact O-CB 3.49Å; V180-L183 PolarHBondContact O-N 3.22Å; V180-L183 VanDerWaalsContact O-N 3.15Å; V180-K184 PolarHBondContact O-N 2.97Å
181P89Confident91Very high61 Ų6146.4 Ų46.440%0.39624%0.243SC..Hα-helixtrans-57-36.4174.7-26.536.3000113.2P179 K184 V185 F417P179-P181 VanDerWaalsContact C-CD 3.41Å; P179-P181 VanDerWaalsContact C-N 3.33Å; P181-K184 PolarHBondContact O-N 3.33Å; P181-V185 WeakPolarHBondContact O-CG2 3.32Å; P181-V185 PolarHBondContact O-N 3.46Å; P181-F417 HydrophobicContact CB-CD1 4.18Å; P181-F417 HydrophobicContact CB-CG 4.31Å
182L89.7Confident91.7Very high4 Ų444.2 Ų44.22%0.02123%0.231CC..Hα-helixtrans-71.6-37.5178.3-165.159.4000111.7M172 W173 P179 V180 K184 V185 M186M172-L182 HydrophobicContact CG-CD2 4.01Å; M172-L182 HydrophobicContact SD-CD1 3.98Å; M172-L182 HydrophobicContact SD-CD2 4.01Å; W173-L182 HydrophobicContact CD2-CD2 4.32Å; W173-L182 HydrophobicContact CE3-CD1 4.29Å; W173-L182 HydrophobicContact CE3-CD2 3.68Å; W173-L182 HydrophobicContact CE3-CG 4.07Å; W173-L182 HydrophobicContact CH2-CD1 3.35Å; W173-L182 HydrophobicContact CH2-CD2 4.29Å; W173-L182 HydrophobicContact CH2-CG 3.89Å; W173-L182 HydrophobicContact CZ2-CD1 3.95Å; W173-L182 HydrophobicContact CZ3-CD1 3.54Å; W173-L182 HydrophobicContact CZ3-CD2 3.66Å; W173-L182 HydrophobicContact CZ3-CG 3.49Å; W173-L182 VanDerWaalsContact CZ3-CG 3.49Å; P179-L182 WeakPolarHBondContact O-CA 3.3Å; P179-L182 VanDerWaalsContact O-CB 3.29Å; P179-L182 WeakPolarHBondContact O-CB 3.33Å; P179-L182 PolarHBondContact O-N 3.15Å; V180-L182 PolarHBondContact O-N 2.96Å; L182-K184 VanDerWaalsContact C-N 3.29Å; L182-K184 PolarHBondContact O-N 3.18Å; L182-V185 PolarHBondContact O-N 3Å; L182-M186 WeakPolarHBondContact O-CG 3.46Å; L182-M186 PolarHBondContact O-N 3.44Å
183L93.1Very high92.4Very high14 Ų1443.4 Ų43.47%0.07323%0.227CC..Hα-helixtrans-59.7-39.7171.6-58.3178.2000111.7F15 V17 W55 L66 C178 P179 V180 M186 T187F15-L183 HydrophobicContact CE2-CB 3.91Å; F15-L183 HydrophobicContact CE2-CD1 3.88Å; F15-L183 HydrophobicContact CE2-CG 4.5Å; F15-L183 HydrophobicContact CZ-CB 3.92Å; F15-L183 HydrophobicContact CZ-CD1 4.28Å; V17-L183 HydrophobicContact CG2-CD1 3.82Å; V17-L183 HydrophobicContact CG2-CD2 4.14Å; W55-L183 HydrophobicContact CH2-CD2 4.35Å; W55-L183 HydrophobicContact CZ3-CD2 4.49Å; L66-L183 HydrophobicContact CD1-CB 3.93Å; L66-L183 HydrophobicContact CD1-CD2 3.89Å; L66-L183 HydrophobicContact CD1-CG 4.46Å; C178-L183 HydrophobicContact CB-CD2 3.91Å; C178-L183 HydrophobicContact CB-CG 4.45Å; P179-L183 PolarHBondContact O-N 3.29Å; V180-L183 WeakPolarHBondContact O-CB 3.49Å; V180-L183 PolarHBondContact O-N 3.22Å; V180-L183 VanDerWaalsContact O-N 3.15Å; L183-M186 HydrophobicContact CD2-CE 3.5Å; L183-M186 PolarHBondContact O-N 3.47Å; L183-T187 WeakPolarHBondContact O-CB 3.35Å; L183-T187 PolarHBondContact O-N 3.16Å; L183-T187 PolarHBondContact O-OG1 3.25Å
184K92.5Very high92.9Very high137 Ų13745 Ų4560%0.59623%0.234SC*.Hα-helixtrans-65.8-42.7175.4-70-174.9174.9-169.90112F15 V180 P181 L182 T187 L188F15-K184 HydrophobicContact CE1-CG 4.27Å; V180-K184 PolarHBondContact O-N 2.97Å; P181-K184 PolarHBondContact O-N 3.33Å; L182-K184 VanDerWaalsContact C-N 3.29Å; L182-K184 PolarHBondContact O-N 3.18Å; K184-T187 WeakPolarHBondContact O-CB 3.3Å; K184-T187 PolarHBondContact O-N 3.24Å; K184-L188 WeakPolarHBondContact O-CB 3.37Å; K184-L188 PolarHBondContact O-N 3.19Å
185V91.4Very high93.3Very high12 Ų1243.7 Ų43.77%0.07324%0.236CC..Hα-helixtrans-62-44.9175.1172.60000111.3L159 P181 L182 T187 L188 S189 F417L159-V185 HydrophobicContact CD2-CG1 4.35Å; P181-V185 WeakPolarHBondContact O-CG2 3.32Å; P181-V185 PolarHBondContact O-N 3.46Å; L182-V185 PolarHBondContact O-N 3Å; V185-T187 VanDerWaalsContact C-N 3.26Å; V185-T187 PolarHBondContact O-N 3.24Å; V185-L188 PolarHBondContact O-N 3.36Å; V185-S189 PolarHBondContact O-N 2.88Å; V185-F417 HydrophobicContact CG2-CE1 4.48Å
186M93.5Very high93.8Very high0 Ų038.4 Ų38.40%021%0.213CC..Hα-helixtrans-61.6-34175.1-77.5-165.3-69.300113.1E43 W55 M57 L66 W173 L182 L183 S189E43-M186 HydrophobicContact CB-SD 4.29Å; E43-M186 HydrophobicContact CG-CG 3.98Å; E43-M186 HydrophobicContact CG-SD 4.25Å; W55-M186 HydrophobicContact CB-SD 3.53Å; W55-M186 VanDerWaalsContact CB-SD 3.53Å; W55-M186 HydrophobicContact CD2-CE 3.72Å; W55-M186 HydrophobicContact CD2-SD 3.88Å; W55-M186 HydrophobicContact CE3-CE 4.05Å; W55-M186 HydrophobicContact CE3-SD 4.43Å; W55-M186 HydrophobicContact CG-CE 3.93Å; W55-M186 HydrophobicContact CG-SD 3.44Å; M57-M186 HydrophobicContact CE-CB 4.26Å; M57-M186 HydrophobicContact CE-CG 4.25Å; M57-M186 HydrophobicContact CG-CB 3.97Å; M57-M186 HydrophobicContact CG-SD 4.41Å; M57-M186 HydrophobicContact SD-CB 4.23Å; M57-M186 HydrophobicContact SD-CG 4.16Å; M57-M186 HydrophobicContact SD-SD 3.89Å; L66-M186 HydrophobicContact CD2-CB 4.14Å; W173-M186 HydrophobicContact CE3-SD 4.41Å; W173-M186 HydrophobicContact CH2-CG 4.07Å; W173-M186 HydrophobicContact CZ3-CE 4.45Å; W173-M186 HydrophobicContact CZ3-CG 3.7Å; W173-M186 HydrophobicContact CZ3-SD 3.69Å; L182-M186 WeakPolarHBondContact O-CG 3.46Å; L182-M186 PolarHBondContact O-N 3.44Å; L183-M186 HydrophobicContact CD2-CE 3.5Å; L183-M186 PolarHBondContact O-N 3.47Å; M186-S189 PolarHBondContact O-OG 3.25Å
187T95.3Very high94Very high9 Ų937.7 Ų37.76%0.05521%0.21CC..Hα-helixtrans-68.3-51174.5-59.40000109.8F15 V64 L183 K184 V185 S189 V190 I191F15-T187 HydrophobicContact CB-CG2 4.24Å; F15-T187 WeakPolarHBondContact CB-OG1 3.32Å; F15-T187 HydrophobicContact CD1-CG2 4.43Å; V64-T187 HydrophobicContact CB-CG2 4.06Å; V64-T187 HydrophobicContact CG1-CG2 4.33Å; V64-T187 HydrophobicContact CG2-CG2 3.9Å; L183-T187 WeakPolarHBondContact O-CB 3.35Å; L183-T187 PolarHBondContact O-N 3.16Å; L183-T187 PolarHBondContact O-OG1 3.25Å; K184-T187 WeakPolarHBondContact O-CB 3.3Å; K184-T187 PolarHBondContact O-N 3.24Å; V185-T187 VanDerWaalsContact C-N 3.26Å; V185-T187 PolarHBondContact O-N 3.24Å; T187-S189 PolarHBondContact O-N 3.35Å; T187-S189 VanDerWaalsContact O-N 3.14Å; T187-V190 VanDerWaalsContact O-CG2 3.29Å; T187-V190 WeakPolarHBondContact O-CG2 3.49Å; T187-V190 PolarHBondContact O-N 2.96Å; T187-V190 VanDerWaalsContact O-N 3.07Å; T187-I191 HydrophobicContact CG2-CG2 3.97Å; T187-I191 WeakPolarHBondContact O-CG2 3.29Å; T187-I191 PolarHBondContact O-N 3.29Å
188L93.4Very high94.4Very high31 Ų3136.2 Ų36.216%0.16220%0.195CC..Hα-helixtrans-56.8-31.8179.7-17558.7000112.7S158 L159 K184 V185 V190 I191S158-L188 WeakPolarHBondContact OG-CD2 3.49Å; L159-L188 HydrophobicContact CD1-CD2 4.45Å; L159-L188 HydrophobicContact CD1-CG 4.15Å; L159-L188 HydrophobicContact CD2-CB 3.98Å; L159-L188 HydrophobicContact CD2-CD2 4.11Å; L159-L188 HydrophobicContact CD2-CG 3.87Å; L159-L188 HydrophobicContact CG-CD2 3.94Å; L159-L188 HydrophobicContact CG-CG 4Å; K184-L188 WeakPolarHBondContact O-CB 3.37Å; K184-L188 PolarHBondContact O-N 3.19Å; V185-L188 PolarHBondContact O-N 3.36Å; L188-V190 PolarHBondContact O-N 3.11Å; L188-I191 HydrophobicContact CD1-CD1 3.73Å; L188-I191 HydrophobicContact CD1-CG1 4.2Å
189S94Very high94.7Very high17 Ų1737.7 Ų37.712%0.11920%0.203CC..Hα-helixtrans-71.7-10.4-179.274.70000114.6M57 L141 V185 M186 T187M57-S189 WeakPolarHBondContact CE-OG 3.25Å; L141-S189 WeakPolarHBondContact CD2-O 3.11Å; V185-S189 PolarHBondContact O-N 2.88Å; M186-S189 PolarHBondContact O-OG 3.25Å; T187-S189 PolarHBondContact O-N 3.35Å; T187-S189 VanDerWaalsContact O-N 3.14Å
190V96.9Very high95Very high0 Ų034.7 Ų34.70%018%0.184CC..Hα-helixtrans-122.5-20-178.9-65.70000115M57 A59 V64 T187 L188 H192 L193M57-V190 HydrophobicContact CB-CG1 3.8Å; M57-V190 HydrophobicContact CB-CG2 4.06Å; M57-V190 HydrophobicContact CE-CG1 4.41Å; A59-V190 HydrophobicContact CB-CB 3.95Å; A59-V190 HydrophobicContact CB-CG2 3.83Å; V64-V190 HydrophobicContact CG1-CG2 3.8Å; V64-V190 HydrophobicContact CG2-CG2 4.13Å; T187-V190 VanDerWaalsContact O-CG2 3.29Å; T187-V190 WeakPolarHBondContact O-CG2 3.49Å; T187-V190 PolarHBondContact O-N 2.96Å; T187-V190 VanDerWaalsContact O-N 3.07Å; L188-V190 PolarHBondContact O-N 3.11Å; V190-H192 VanDerWaalsContact C-N 3.3Å; V190-H192 PolarHBondContact O-N 2.91Å; V190-L193 HydrophobicContact CB-CD1 4.09Å; V190-L193 HydrophobicContact CG1-CD1 4.05Å; V190-L193 WeakPolarHBondContact O-CB 3.39Å; V190-L193 PolarHBondContact O-N 3.31Å
191I95.7Very high95.4Very high30 Ų3033.2 Ų33.215%0.15417%0.173CC..Hα-helixtrans-63.3-35.4-174.857.7168.6000113.1I13 V64 T187 L188I13-I191 HydrophobicContact CB-CG2 3.93Å; I13-I191 HydrophobicContact CD1-CB 3.46Å; I13-I191 VanDerWaalsContact CD1-CB 3.46Å; I13-I191 HydrophobicContact CD1-CD1 3.86Å; I13-I191 HydrophobicContact CD1-CG1 4.25Å; I13-I191 HydrophobicContact CD1-CG2 3.36Å; I13-I191 HydrophobicContact CG1-CG2 4.22Å; I13-I191 HydrophobicContact CG2-CG2 3.86Å; V64-I191 HydrophobicContact CG2-CG2 3.69Å; T187-I191 HydrophobicContact CG2-CG2 3.97Å; T187-I191 WeakPolarHBondContact O-CG2 3.29Å; T187-I191 PolarHBondContact O-N 3.29Å; L188-I191 HydrophobicContact CD1-CD1 3.73Å; L188-I191 HydrophobicContact CD1-CG1 4.2Å
192H95.9Very high95.8Very high32 Ų3235.3 Ų35.315%0.14818%0.181CC..THydrogen-bonded Turntrans-83.3-10.8-176.2-63-54.7000113.6V145 L149 V190 K194 P195 L196V145-H192 HydrophobicContact CG1-CB 4.08Å; V145-H192 HydrophobicContact CG2-CB 3.75Å; L149-H192 HydrophobicContact CD1-CB 3.88Å; V190-H192 VanDerWaalsContact C-N 3.3Å; V190-H192 PolarHBondContact O-N 2.91Å; H192-K194 PolarHBondContact O-N 3.13Å; H192-P195 WeakPolarHBondContact O-CD 3.19Å; H192-L196 WeakPolarHBondContact O-CB 3.3Å; H192-L196 PolarHBondContact O-N 3.42Å
193L98.2Very high96.1Very high3 Ų336.2 Ų36.22%0.01619%0.187CC..Hα-helixtrans-60.5-44.9-173.3-68.2175.3000112.2V93 H95 T118 L141 V190 L196 R197V93-L193 HydrophobicContact CB-CB 4.29Å; V93-L193 HydrophobicContact CG1-CB 3.98Å; V93-L193 WeakPolarHBondContact CG1-O 3.37Å; V93-L193 WeakPolarHBondContact O-CD1 3.38Å; H95-L193 HydrophobicContact CB-CD2 3.98Å; T118-L193 HydrophobicContact CG2-CD2 4.46Å; L141-L193 HydrophobicContact CD1-CD2 3.85Å; V190-L193 HydrophobicContact CB-CD1 4.09Å; V190-L193 HydrophobicContact CG1-CD1 4.05Å; V190-L193 WeakPolarHBondContact O-CB 3.39Å; V190-L193 PolarHBondContact O-N 3.31Å; L193-L196 PolarHBondContact O-N 3.49Å; L193-R197 PolarHBondContact O-N 3.13Å
194K97.6Very high96.2Very high38 Ų3838.2 Ų38.217%0.16520%0.197CC..Hα-helixtrans-68.8-49.8-178.3-70.417156.9-176.30112.9V37 T60 K61 V93 H192 L196 R197 L198V37-K194 HydrophobicContact CG1-CG 4.33Å; T60-K194 PolarHBondContact O-NZ 2.8Å; T60-K194 VanDerWaalsContact O-NZ 3.08Å; K61-K194 VanDerWaalsContact N-NZ 3.19Å; V93-K194 HydrophobicContact CG2-CG 4.47Å; H192-K194 PolarHBondContact O-N 3.13Å; K194-L196 VanDerWaalsContact C-N 3.26Å; K194-L196 PolarHBondContact O-N 2.98Å; K194-R197 WeakPolarHBondContact O-CB 3.37Å; K194-R197 PolarHBondContact O-N 3.38Å; K194-L198 PolarHBondContact O-N 3.41Å
195P97.1Very high96.4Very high59 Ų5935.5 Ų35.538%0.38319%0.187SC..Hα-helixtrans-55.8-42.3170.8-2633.2000112.5L149 H192 R197 L198 V199L149-P195 HydrophobicContact CD1-CB 4.03Å; L149-P195 HydrophobicContact CD2-CB 4.22Å; H192-P195 WeakPolarHBondContact O-CD 3.19Å; P195-R197 VanDerWaalsContact C-N 3.34Å; P195-R197 PolarHBondContact O-N 3.37Å; P195-L198 WeakPolarHBondContact O-CB 3.49Å; P195-L198 PolarHBondContact O-N 2.85Å; P195-V199 PolarHBondContact O-N 3.12Å
196L98.1Very high96.6Very high0 Ų037.3 Ų37.30%020%0.198CC..Hα-helixtrans-61.9-40.8-179.5179.759.6000112.3T118 L141 V144 V145 H148 L149 H192 L193 K194 L198 V199 L200T118-L196 HydrophobicContact CG2-CD2 3.96Å; T118-L196 HydrophobicContact CG2-CG 4.14Å; L141-L196 HydrophobicContact CD1-CD2 4.48Å; V144-L196 HydrophobicContact CB-CD2 4.25Å; V144-L196 HydrophobicContact CG1-CD1 3.61Å; V144-L196 HydrophobicContact CG1-CD2 3.54Å; V144-L196 HydrophobicContact CG1-CG 4.06Å; V145-L196 HydrophobicContact CG2-CD2 4.19Å; H148-L196 HydrophobicContact CB-CD1 3.73Å; L149-L196 HydrophobicContact CD1-CB 4.15Å; L149-L196 HydrophobicContact CG-CB 4.44Å; L149-L196 HydrophobicContact CG-CD1 4.32Å; H192-L196 WeakPolarHBondContact O-CB 3.3Å; H192-L196 PolarHBondContact O-N 3.42Å; L193-L196 PolarHBondContact O-N 3.49Å; K194-L196 VanDerWaalsContact C-N 3.26Å; K194-L196 PolarHBondContact O-N 2.98Å; L196-L198 VanDerWaalsContact C-N 3.28Å; L196-L198 PolarHBondContact O-N 3.43Å; L196-V199 PolarHBondContact O-N 3.49Å; L196-L200 HydrophobicContact CD1-CD1 3.88Å; L196-L200 HydrophobicContact CD1-CG 3.95Å; L196-L200 HydrophobicContact CD2-CD1 4.42Å; L196-L200 HydrophobicContact CG-CD1 3.72Å; L196-L200 HydrophobicContact CG-CG 4.27Å; L196-L200 WeakPolarHBondContact O-CB 3.22Å; L196-L200 VanDerWaalsContact O-CG 3.25Å; L196-L200 WeakPolarHBondContact O-CG 3.43Å; L196-L200 PolarHBondContact O-N 2.9Å
197R98.6Very high96.6Very high55 Ų5538.7 Ų38.721%0.20821%0.206CC..Hα-helixtrans-54.5-43.9172.1165.8-178.6172.9-79.90.5112.1V93 F116 L193 K194 P195 L201V93-R197 HydrophobicContact CG1-CB 3.86Å; V93-R197 HydrophobicContact CG2-CB 4.29Å; F116-R197 HydrophobicContact CD1-CB 3.92Å; F116-R197 HydrophobicContact CD1-CG 3.83Å; F116-R197 HydrophobicContact CD2-CG 4.11Å; F116-R197 HydrophobicContact CE1-CB 3.85Å; F116-R197 HydrophobicContact CE1-CG 3.83Å; F116-R197 HydrophobicContact CE2-CG 4.11Å; F116-R197 HydrophobicContact CG-CG 3.97Å; F116-R197 HydrophobicContact CZ-CB 4.39Å; F116-R197 HydrophobicContact CZ-CG 3.97Å; L193-R197 PolarHBondContact O-N 3.13Å; K194-R197 WeakPolarHBondContact O-CB 3.37Å; K194-R197 PolarHBondContact O-N 3.38Å; P195-R197 VanDerWaalsContact C-N 3.34Å; P195-R197 PolarHBondContact O-N 3.37Å; R197-L201 HydrophobicContact CG-CD1 3.83Å; R197-L201 HydrophobicContact CG-CG 4.41Å; R197-L201 WeakPolarHBondContact O-CB 3.14Å; R197-L201 WeakPolarHBondContact O-CG 3.22Å; R197-L201 PolarHBondContact O-N 3.43Å
198L98.2Very high96.6Very high94 Ų9444.5 Ų44.549%0.49223%0.228SC..Hα-helixtrans-65-50.1-176.7-63175.7000110.7K194 P195 L196 L200 L201 D202K194-L198 PolarHBondContact O-N 3.41Å; P195-L198 WeakPolarHBondContact O-CB 3.49Å; P195-L198 PolarHBondContact O-N 2.85Å; L196-L198 VanDerWaalsContact C-N 3.28Å; L196-L198 PolarHBondContact O-N 3.43Å; L198-L200 VanDerWaalsContact C-N 3.32Å; L198-L200 PolarHBondContact O-N 3.03Å; L198-L201 PolarHBondContact O-N 3.03Å; L198-L201 VanDerWaalsContact O-N 3.15Å; L198-D202 PolarHBondContact O-N 3.48Å
199V98.3Very high96.7Very high48 Ų4847.3 Ų47.329%0.29124%0.241SC..Hα-helixtrans-63.3-37.9179.6177.50000112.3H148 L149 P195 L196 D202 T203H148-V199 HydrophobicContact CB-CG1 4.08Å; L149-V199 HydrophobicContact CD2-CB 4.23Å; L149-V199 HydrophobicContact CD2-CG2 3.68Å; P195-V199 PolarHBondContact O-N 3.12Å; L196-V199 PolarHBondContact O-N 3.49Å; V199-D202 PolarHBondContact O-N 3.45Å; V199-T203 PolarHBondContact O-N 2.93Å; V199-T203 PolarHBondContact O-OG1 3.35Å
200L98.5Very high96.6Very high0 Ų049 Ų490%025%0.249CC..Hα-helixtrans-67.1-40.1175.3-71.6171.4000111.8F116 T118 A121 D122 V144 L196 L198 T203 L204F116-L200 HydrophobicContact CE1-CD1 4.46Å; F116-L200 HydrophobicContact CZ-CB 4.39Å; T118-L200 HydrophobicContact CG2-CD1 4.2Å; A121-L200 HydrophobicContact CB-CB 4.19Å; A121-L200 HydrophobicContact CB-CD1 3.93Å; D122-L200 HydrophobicContact CB-CD2 4.35Å; V144-L200 HydrophobicContact CG1-CD1 4.46Å; L196-L200 HydrophobicContact CD1-CD1 3.88Å; L196-L200 HydrophobicContact CD1-CG 3.95Å; L196-L200 HydrophobicContact CD2-CD1 4.42Å; L196-L200 HydrophobicContact CG-CD1 3.72Å; L196-L200 HydrophobicContact CG-CG 4.27Å; L196-L200 WeakPolarHBondContact O-CB 3.22Å; L196-L200 VanDerWaalsContact O-CG 3.25Å; L196-L200 WeakPolarHBondContact O-CG 3.43Å; L196-L200 PolarHBondContact O-N 2.9Å; L198-L200 VanDerWaalsContact C-N 3.32Å; L198-L200 PolarHBondContact O-N 3.03Å; L200-T203 WeakPolarHBondContact O-CB 3.5Å; L200-T203 PolarHBondContact O-N 2.97Å; L200-L204 VanDerWaalsContact O-CG 3.3Å; L200-L204 WeakPolarHBondContact O-CG 3.4Å; L200-L204 PolarHBondContact O-N 2.81Å
201L98.2Very high96.5Very high53 Ų5349.9 Ų49.928%0.27725%0.253SS..Hα-helixtrans-63.4-44.3174.8-79.6170.7000111.6F116 R197 L198 T203 L204 M205F116-L201 HydrophobicContact CE2-CD1 4.21Å; F116-L201 HydrophobicContact CE2-CD2 3.71Å; F116-L201 HydrophobicContact CE2-CG 3.77Å; F116-L201 HydrophobicContact CZ-CD2 4.34Å; F116-L201 HydrophobicContact CZ-CG 4.05Å; R197-L201 HydrophobicContact CG-CD1 3.83Å; R197-L201 HydrophobicContact CG-CG 4.41Å; R197-L201 WeakPolarHBondContact O-CB 3.14Å; R197-L201 WeakPolarHBondContact O-CG 3.22Å; R197-L201 PolarHBondContact O-N 3.43Å; L198-L201 PolarHBondContact O-N 3.03Å; L198-L201 VanDerWaalsContact O-N 3.15Å; L201-T203 VanDerWaalsContact C-N 3.25Å; L201-T203 PolarHBondContact O-N 3.48Å; L201-L204 PolarHBondContact O-N 2.92Å; L201-M205 WeakPolarHBondContact O-CB 3.45Å; L201-M205 VanDerWaalsContact O-CG 3.27Å; L201-M205 WeakPolarHBondContact O-CG 3.41Å; L201-M205 PolarHBondContact O-N 3.32Å
202D97.1Very high96.3Very high106 Ų10650.8 Ų50.857%0.56726%0.26SS*.Hα-helixtrans-58.5-42.2175.4-68.2-18.1000110.8L198 V199 M205 T206L198-D202 PolarHBondContact O-N 3.48Å; V199-D202 PolarHBondContact O-N 3.45Å; D202-M205 PolarHBondContact O-N 3.01Å; D202-T206 PolarHBondContact O-N 3.31Å; D202-T206 PolarHBondContact O-OG1 2.81Å
203T96Very high96.1Very high23 Ų2353.2 Ų53.214%0.14127%0.274CS..Hα-helixtrans-62.6-46.5176-58.20000111.8C125 K129 V199 L200 L201 M205 T206C125-T203 HydrophobicContact CB-CG2 3.79Å; C125-T203 VanDerWaalsContact SG-CG2 3.56Å; K129-T203 VanDerWaalsContact CE-CG2 3.44Å; V199-T203 PolarHBondContact O-N 2.93Å; V199-T203 PolarHBondContact O-OG1 3.35Å; L200-T203 WeakPolarHBondContact O-CB 3.5Å; L200-T203 PolarHBondContact O-N 2.97Å; L201-T203 VanDerWaalsContact C-N 3.25Å; L201-T203 PolarHBondContact O-N 3.48Å; T203-M205 PolarHBondContact O-N 2.95Å; T203-T206 WeakPolarHBondContact O-CB 3.47Å; T203-T206 PolarHBondContact O-N 2.86Å; T203-T206 VanDerWaalsContact O-N 3.16Å; T203-T206 PolarHBondContact O-OG1 3.49Å
204L95.9Very high95.7Very high55 Ų5554.2 Ų54.229%0.28828%0.281SS..Hα-helixtrans-62.6-29.4177.6-70.7169.6000112.7A121 M124 L200 L201 T206A121-L204 HydrophobicContact CB-CD1 4.34Å; M124-L204 HydrophobicContact CB-CD2 3.71Å; L200-L204 VanDerWaalsContact O-CG 3.3Å; L200-L204 WeakPolarHBondContact O-CG 3.4Å; L200-L204 PolarHBondContact O-N 2.81Å; L201-L204 PolarHBondContact O-N 2.92Å; L204-T206 VanDerWaalsContact C-N 3.34Å
205M96.6Very high95.2Very high80 Ų8056.7 Ų56.739%0.39429%0.29SS..THydrogen-bonded Turntrans-87.10.2179.4-65.7-59-63.200113.7L201 D202 T203 D207 Y208 M209L201-M205 WeakPolarHBondContact O-CB 3.45Å; L201-M205 VanDerWaalsContact O-CG 3.27Å; L201-M205 WeakPolarHBondContact O-CG 3.41Å; L201-M205 PolarHBondContact O-N 3.32Å; D202-M205 PolarHBondContact O-N 3.01Å; T203-M205 PolarHBondContact O-N 2.95Å; M205-D207 PolarHBondContact O-N 3.45Å; M205-Y208 HydrophobicContact CE-CD1 3.51Å; M205-Y208 HydrophobicContact CE-CD2 4.48Å; M205-Y208 HydrophobicContact CE-CE1 4.11Å; M205-Y208 HydrophobicContact CE-CG 3.72Å; M205-Y208 WeakPolarHBondContact O-CB 3.4Å; M205-Y208 PolarHBondContact O-N 2.95Å; M205-M209 WeakPolarHBondContact O-CG 3.32Å; M205-M209 PolarHBondContact O-N 3.12Å
206T94.9Very high94.7Very high50 Ų5058.9 Ų58.931%0.30730%0.298SS..Hα-helixtrans-57.9-46.6-173.3-620000112.5D202 T203 L204 Y208 M209 I210D202-T206 PolarHBondContact O-N 3.31Å; D202-T206 PolarHBondContact O-OG1 2.81Å; T203-T206 WeakPolarHBondContact O-CB 3.47Å; T203-T206 PolarHBondContact O-N 2.86Å; T203-T206 VanDerWaalsContact O-N 3.16Å; T203-T206 PolarHBondContact O-OG1 3.49Å; L204-T206 VanDerWaalsContact C-N 3.34Å; T206-Y208 VanDerWaalsContact C-N 3.33Å; T206-Y208 PolarHBondContact O-N 2.75Å; T206-M209 PolarHBondContact O-N 3.2Å; T206-I210 HydrophobicContact CG2-CD1 3.87Å; T206-I210 HydrophobicContact CG2-CG1 4.48Å; T206-I210 WeakPolarHBondContact O-CG1 3.41Å; T206-I210 PolarHBondContact O-N 2.95Å
207D93.9Very high94.1Very high30 Ų3065.2 Ų65.216%0.1633%0.326CS..Hα-helixtrans-65.6-40.5-177.9-69.30.4000111.6T128 M205 M209 I210 L211 L244 M247 R251T128-D207 WeakPolarHBondContact CG2-OD2 3.26Å; M205-D207 PolarHBondContact O-N 3.45Å; D207-M209 VanDerWaalsContact C-N 3.33Å; D207-M209 PolarHBondContact O-N 3.19Å; D207-I210 PolarHBondContact O-N 2.98Å; D207-L211 WeakPolarHBondContact O-CG 3.31Å; D207-L211 PolarHBondContact O-N 3.22Å; D207-L244 HydrophobicContact CB-CD2 4.15Å; D207-M247 HydrophobicContact CB-CE 4.13Å; D207-M247 WeakPolarHBondContact OD1-CE 3.47Å; D207-R251 IonicContact OD1-CZ 2.96Å; D207-R251 IonicContact OD1-NH1 2.75Å; D207-R251 PolarHBondContact OD1-NH1 3Å; D207-R251 IonicContact OD1-NH2 3.23Å; D207-R251 PolarHBondContact OD1-NH2 3.42Å; D207-R251 IonicContact OD2-CZ 3.79Å; D207-R251 IonicContact OD2-NH1 2.79Å; D207-R251 PolarHBondContact OD2-NH1 2.9Å; D207-R251 IonicContact OD2-NH2 3.94Å
208Y94.9Very high93Very high130 Ų13064.8 Ų64.851%0.5133%0.331SS..Hα-helixtrans-57.7-47.2173.2169.2-93.2000111.2M205 T206 I210 L211 V212M205-Y208 HydrophobicContact CE-CD1 3.51Å; M205-Y208 HydrophobicContact CE-CD2 4.48Å; M205-Y208 HydrophobicContact CE-CE1 4.11Å; M205-Y208 HydrophobicContact CE-CG 3.72Å; M205-Y208 WeakPolarHBondContact O-CB 3.4Å; M205-Y208 PolarHBondContact O-N 2.95Å; T206-Y208 VanDerWaalsContact C-N 3.33Å; T206-Y208 PolarHBondContact O-N 2.75Å; Y208-I210 PolarHBondContact O-N 2.99Å; Y208-L211 PolarHBondContact O-N 3.46Å; Y208-V212 HydrophobicContact CD1-CG2 4.27Å; Y208-V212 HydrophobicContact CD2-CG2 4.4Å; Y208-V212 HydrophobicContact CE1-CG2 3.78Å; Y208-V212 HydrophobicContact CE2-CG2 3.92Å; Y208-V212 WeakPolarHBondContact O-CG2 3.49Å; Y208-V212 PolarHBondContact O-N 2.84Å
209M95.1Very high91.4Very high90 Ų9065.8 Ų65.844%0.44334%0.337SS..Hα-helixtrans-63.9-41.2179.8-64.7-59-178.500112M205 T206 D207 L211 V212 D213M205-M209 WeakPolarHBondContact O-CG 3.32Å; M205-M209 PolarHBondContact O-N 3.12Å; T206-M209 PolarHBondContact O-N 3.2Å; D207-M209 VanDerWaalsContact C-N 3.33Å; D207-M209 PolarHBondContact O-N 3.19Å; M209-L211 VanDerWaalsContact C-N 3.28Å; M209-L211 PolarHBondContact O-N 3.18Å; M209-V212 PolarHBondContact O-N 2.81Å; M209-D213 WeakPolarHBondContact O-CB 3.42Å; M209-D213 PolarHBondContact O-N 2.97Å
210I93.8Very high89.7Confident54 Ų5470 Ų7028%0.27736%0.357SS..Hα-helixtrans-59.3-40.6175.6-70.1167.3000111.2T206 D207 Y208 S214 M247T206-I210 HydrophobicContact CG2-CD1 3.87Å; T206-I210 HydrophobicContact CG2-CG1 4.48Å; T206-I210 WeakPolarHBondContact O-CG1 3.41Å; T206-I210 PolarHBondContact O-N 2.95Å; D207-I210 PolarHBondContact O-N 2.98Å; Y208-I210 PolarHBondContact O-N 2.99Å; I210-S214 PolarHBondContact O-N 3.47Å; I210-M247 HydrophobicContact CB-CE 4.33Å; I210-M247 HydrophobicContact CD1-CE 3.71Å; I210-M247 HydrophobicContact CG2-CE 4.12Å; I210-M247 HydrophobicContact CG2-SD 3.96Å
211L93Very high87.8Confident17 Ų1776.4 Ų76.49%0.08939%0.391CS..Hα-helixtrans-69.6-42.8178.2-69.9175.7000112.7D207 Y208 M209 D213 S214 Y215 E240 L241 K243 L244D207-L211 WeakPolarHBondContact O-CG 3.31Å; D207-L211 PolarHBondContact O-N 3.22Å; Y208-L211 PolarHBondContact O-N 3.46Å; M209-L211 VanDerWaalsContact C-N 3.28Å; M209-L211 PolarHBondContact O-N 3.18Å; L211-D213 VanDerWaalsContact C-N 3.3Å; L211-D213 PolarHBondContact O-N 3.28Å; L211-S214 WeakPolarHBondContact O-CA 3.3Å; L211-S214 VanDerWaalsContact O-CB 3.27Å; L211-S214 WeakPolarHBondContact O-CB 3.27Å; L211-S214 PolarHBondContact O-N 2.89Å; L211-S214 VanDerWaalsContact O-N 3.09Å; L211-Y215 PolarHBondContact O-N 3.28Å; L211-E240 WeakPolarHBondContact CD2-O 3.31Å; L211-L241 HydrophobicContact CB-CD2 4.38Å; L211-L241 HydrophobicContact CD1-CD2 3.81Å; L211-L241 HydrophobicContact CD2-CD2 4.27Å; L211-L241 HydrophobicContact CG-CD2 4.4Å; L211-K243 HydrophobicContact CD2-CB 4.42Å; L211-L244 HydrophobicContact CD1-CD1 3.81Å; L211-L244 HydrophobicContact CD1-CD2 3.64Å; L211-L244 HydrophobicContact CD1-CG 3.68Å; L211-L244 HydrophobicContact CD2-CD2 4.41Å; L211-L244 HydrophobicContact CD2-CG 4.19Å; L211-L244 HydrophobicContact CG-CD2 4.17Å; L211-L244 HydrophobicContact CG-CG 4.34Å
212V93.3Very high85.8Confident50 Ų5080.9 Ų80.930%0.30341%0.409SS..Hα-helixtrans-60.1-43.9174.8171.80000110.3Y208 M209 S214 Y215 L216Y208-V212 HydrophobicContact CD1-CG2 4.27Å; Y208-V212 HydrophobicContact CD2-CG2 4.4Å; Y208-V212 HydrophobicContact CE1-CG2 3.78Å; Y208-V212 HydrophobicContact CE2-CG2 3.92Å; Y208-V212 WeakPolarHBondContact O-CG2 3.49Å; Y208-V212 PolarHBondContact O-N 2.84Å; M209-V212 PolarHBondContact O-N 2.81Å; V212-S214 VanDerWaalsContact C-N 3.25Å; V212-S214 PolarHBondContact O-N 3.27Å; V212-Y215 WeakPolarHBondContact O-CB 3.48Å; V212-Y215 PolarHBondContact O-N 3.02Å; V212-Y215 VanDerWaalsContact O-N 3.15Å; V212-L216 HydrophobicContact CG1-CD1 4.23Å; V212-L216 WeakPolarHBondContact O-CG 3.49Å; V212-L216 PolarHBondContact O-N 2.93Å
213D91.6Very high83.8Confident82 Ų8281.1 Ų81.144%0.43942%0.416SS..Hα-helixtrans-61-36174.7-75.8-16.6000112M209 L211 L216 K217M209-D213 WeakPolarHBondContact O-CB 3.42Å; M209-D213 PolarHBondContact O-N 2.97Å; L211-D213 VanDerWaalsContact C-N 3.3Å; L211-D213 PolarHBondContact O-N 3.28Å; D213-L216 PolarHBondContact O-N 3.18Å; D213-K217 VanDerWaalsContact O-CG 3.28Å; D213-K217 WeakPolarHBondContact O-CG 3.34Å; D213-K217 PolarHBondContact O-N 3.26Å; D213-K217 VanDerWaalsContact O-N 3.08Å
214S89.7Confident81.8Confident24 Ų2486.3 Ų86.317%0.16844%0.443CS..Hα-helixtrans-63.3-45.3174.1-160.80000111.5I210 L211 V212 L216 K217 S218 E240I210-S214 PolarHBondContact O-N 3.47Å; L211-S214 WeakPolarHBondContact O-CA 3.3Å; L211-S214 VanDerWaalsContact O-CB 3.27Å; L211-S214 WeakPolarHBondContact O-CB 3.27Å; L211-S214 PolarHBondContact O-N 2.89Å; L211-S214 VanDerWaalsContact O-N 3.09Å; V212-S214 VanDerWaalsContact C-N 3.25Å; V212-S214 PolarHBondContact O-N 3.27Å; S214-L216 VanDerWaalsContact C-N 3.32Å; S214-L216 PolarHBondContact O-N 3.22Å; S214-K217 PolarHBondContact O-N 3.41Å; S214-S218 PolarHBondContact O-N 3.39Å; S214-S218 PolarHBondContact O-OG 2.82Å; S214-S218 VanDerWaalsContact O-OG 3.12Å; S214-E240 VanDerWaalsContact OG-CG 3.3Å; S214-E240 WeakPolarHBondContact OG-CG 3.38Å
215Y86Confident79.7Confident91 Ų9186 Ų8636%0.35745%0.452SS..Hα-helixtrans-59.8-42.5176.1-88.8-149.7000112.1L211 V212 K217 N219 P238 E240 L241L211-Y215 PolarHBondContact O-N 3.28Å; V212-Y215 WeakPolarHBondContact O-CB 3.48Å; V212-Y215 PolarHBondContact O-N 3.02Å; V212-Y215 VanDerWaalsContact O-N 3.15Å; Y215-K217 VanDerWaalsContact C-N 3.33Å; Y215-K217 PolarHBondContact O-N 3.42Å; Y215-N219 PolarHBondContact O-ND2 3.45Å; Y215-P238 HydrophobicContact CE2-CB 3.94Å; Y215-P238 HydrophobicContact CE2-CG 4.47Å; Y215-P238 WeakPolarHBondContact OH-CB 3.21Å; Y215-P238 WeakPolarHBondContact OH-CG 3.5Å; Y215-E240 HydrophobicContact CD2-CB 3.73Å; Y215-E240 HydrophobicContact CD2-CG 4.03Å; Y215-E240 HydrophobicContact CE2-CB 3.77Å; Y215-E240 HydrophobicContact CE2-CG 4.38Å; Y215-L241 HydrophobicContact CE2-CD2 4.02Å; Y215-L241 HydrophobicContact CE2-CG 4Å; Y215-L241 VanDerWaalsContact OH-CD1 3.31Å; Y215-L241 WeakPolarHBondContact OH-CD1 3.35Å; Y215-L241 VanDerWaalsContact OH-CG 3.31Å; Y215-L241 WeakPolarHBondContact OH-CG 3.33Å
216L87.6Confident77.6Confident105 Ų10588 Ų8855%0.5546%0.464SS..Hα-helixtrans-65.1-38179.6-69.1172.5000111.8V212 D213 S214V212-L216 HydrophobicContact CG1-CD1 4.23Å; V212-L216 WeakPolarHBondContact O-CG 3.49Å; V212-L216 PolarHBondContact O-N 2.93Å; D213-L216 PolarHBondContact O-N 3.18Å; S214-L216 VanDerWaalsContact C-N 3.32Å; S214-L216 PolarHBondContact O-N 3.22Å
217K85.1Confident75.4Confident133 Ų13392.9 Ų92.958%0.57848%0.483SS*.Hα-helixtrans-70.7-42.6178-71.5170.6-175.3177.50112.7D213 S214 Y215 N219 L220 D221D213-K217 VanDerWaalsContact O-CG 3.28Å; D213-K217 WeakPolarHBondContact O-CG 3.34Å; D213-K217 PolarHBondContact O-N 3.26Å; D213-K217 VanDerWaalsContact O-N 3.08Å; S214-K217 PolarHBondContact O-N 3.41Å; Y215-K217 VanDerWaalsContact C-N 3.33Å; Y215-K217 PolarHBondContact O-N 3.42Å; K217-N219 PolarHBondContact O-N 2.82Å; K217-N219 VanDerWaalsContact O-N 3.1Å; K217-L220 PolarHBondContact O-N 3.22Å; K217-D221 PolarHBondContact O-N 3.28Å
218S74.6Confident73.4Confident46 Ų4698.8 Ų98.832%0.32251%0.51SS..Hα-helixtrans-58.1-27.9-179.3-64.90000113.8S214 E240S214-S218 PolarHBondContact O-N 3.39Å; S214-S218 PolarHBondContact O-OG 2.82Å; S214-S218 VanDerWaalsContact O-OG 3.12Å; S218-E240 WeakPolarHBondContact CB-OE1 3.49Å; S218-E240 WeakPolarHBondContact OG-CG 3.49Å; S218-E240 PolarHBondContact OG-OE1 3.08Å
219N64.4Low71.5Confident114 Ų11496.9 Ų96.961%0.6151%0.511SS*.THydrogen-bonded Turntrans-81.2-17.9177.5-72.6-68.8000114Y215 K217Y215-N219 PolarHBondContact O-ND2 3.45Å; K217-N219 PolarHBondContact O-N 2.82Å; K217-N219 VanDerWaalsContact O-N 3.1Å
220L63.4Low69.6Low138 Ų13895.9 Ų95.972%0.72351%0.51SS*.THydrogen-bonded Turntrans-88.2-31.1-178.5-73.5160000112.2K217 K222K217-L220 PolarHBondContact O-N 3.22Å; L220-K222 VanDerWaalsContact C-N 3.32Å; L220-K222 PolarHBondContact O-N 2.62Å
221D59.2Low67.9Low133 Ų133101.2 Ų101.271%0.71154%0.536SS*.SBendtrans-80.9-6.5-172.7-66.9-30.4000114.1K217K217-D221 PolarHBondContact O-N 3.28Å
222K56.3Low66.2Low148 Ų148108.1 Ų108.164%0.64357%0.568SS**  trans-144.187.1179-66.8-172.6-178.7-177.90113.2L220 D224 G225L220-K222 VanDerWaalsContact C-N 3.32Å; L220-K222 PolarHBondContact O-N 2.62Å; K222-D224 VanDerWaalsContact C-N 3.29Å; K222-D224 PolarHBondContact O-N 2.97Å; K222-G225 PolarHBondContact O-N 3.12Å
223P55Low64.7Low111 Ų111109.8 Ų109.872%0.72158%0.575SS**G310 helixtrans-63.3-31.2174.922.7-30.3000113.5
224D53.1Low63.2Low132 Ų132109.9 Ų109.971%0.70658%0.579SS**G310 helixtrans-83.2-5.5176.4-77-9.9000114K222 L226K222-D224 VanDerWaalsContact C-N 3.29Å; K222-D224 PolarHBondContact O-N 2.97Å; D224-L226 PolarHBondContact O-N 3.04Å
225G51.7Low62.3Low47 Ų47116.1 Ų116.149%0.48561%0.609SS.*G310 helixtrans-75.3-7.9-175.600000115K222 E227K222-G225 PolarHBondContact O-N 3.12Å; G225-E227 VanDerWaalsContact C-N 3.34Å
226L53.7Low62.1Low122 Ų122118.2 Ų118.264%0.63962%0.622SS**G310 helixtrans-81.8-9.3179-93.4133.2000113.6D224 H228D224-L226 PolarHBondContact O-N 3.04Å; L226-H228 PolarHBondContact O-N 3.36Å
227E49.1Very low61.7Low154 Ų154118.1 Ų118.172%0.7262%0.622SS**G310 helixtrans-72.7-8.4-175.8-66.3-165.3153.300114.5G225G225-E227 VanDerWaalsContact C-N 3.34Å
228H50Low61.7Low153 Ų153114 Ų11471%0.70861%0.609SS**G310 helixtrans-134.431.8-177-8278.4000114.6L226 T230 N233L226-H228 PolarHBondContact O-N 3.36Å; H228-T230 PolarHBondContact O-N 2.66Å; H228-T230 VanDerWaalsContact O-N 3.12Å; H228-N233 PolarHBondContact O-ND2 2.89Å
229V55.6Low62.1Low90 Ų90120.2 Ų120.255%0.54563%0.63SS.*  trans-82.485167.6-174.30000109V234V229-V234 HydrophobicContact CG1-CG2 3.3Å
230T56.4Low63.2Low69 Ų69117 Ų11742%0.42361%0.611SS.*  trans-73.8151.4165.9550000109.7H228 E232 N233 V234H228-T230 PolarHBondContact O-N 2.66Å; H228-T230 VanDerWaalsContact O-N 3.12Å; T230-E232 PolarHBondContact O-N 2.86Å; T230-N233 PolarHBondContact O-N 2.97Å; T230-N233 PolarHBondContact OG1-ND2 2.87Å; T230-V234 PolarHBondContact O-N 3.39Å
231M57Low64.4Low166 Ų166113 Ų11382%0.81859%0.59SS**THydrogen-bonded Turntrans-56.7-23.7178.1-81.5-71.9173.200113.6
232E57.3Low65.7Low163 Ų163113.7 Ų113.776%0.76258%0.583SS**THydrogen-bonded Turntrans-71.9-39173.6-80.4174.5146.900113T230 V234 L235T230-E232 PolarHBondContact O-N 2.86Å; E232-V234 VanDerWaalsContact C-N 3.29Å; E232-V234 PolarHBondContact O-N 3.25Å; E232-L235 PolarHBondContact O-N 3.34Å
233N60.9Low67.2Low84 Ų84110.6 Ų110.645%0.44957%0.569SS.*G310 helixtrans-72.2-20.9179.7-69.5-9.8000113H228 T230 L235 E236H228-N233 PolarHBondContact O-ND2 2.89Å; T230-N233 PolarHBondContact O-N 2.97Å; T230-N233 PolarHBondContact OG1-ND2 2.87Å; N233-L235 VanDerWaalsContact C-N 3.29Å; N233-L235 PolarHBondContact O-N 3.43Å; N233-E236 PolarHBondContact O-N 2.94Å
234V61.4Low68.9Low85 Ų85108.6 Ų108.652%0.51555%0.552SS.*G310 helixtrans-70.4-25179.9177.60000112.5V229 T230 E232V229-V234 HydrophobicContact CG1-CG2 3.3Å; T230-V234 PolarHBondContact O-N 3.39Å; E232-V234 VanDerWaalsContact C-N 3.29Å; E232-V234 PolarHBondContact O-N 3.25Å
235L71.4Confident70.8Confident155 Ų155106.8 Ų106.881%0.81254%0.543SS*.G310 helixtrans-90.7-7.7-178.5-62177000113.1E232 N233E232-L235 PolarHBondContact O-N 3.34Å; N233-L235 VanDerWaalsContact C-N 3.29Å; N233-L235 PolarHBondContact O-N 3.43Å
236E80.4Confident72.7Confident135 Ų135109 Ų10963%0.63154%0.54SS*.SBendtrans-71.7148.3174.4-64.7-164156.600111.6N233 P238N233-E236 PolarHBondContact O-N 2.94Å; E236-P238 WeakPolarHBondContact O-CD 3.27Å
237L80.6Confident74.7Confident103 Ų103103.6 Ų103.654%0.53951%0.512SS..  trans-66.1115.5177.7-178.670.9000110.4L241 R242L237-L241 HydrophobicContact CD1-CB 3.99Å; L237-L241 HydrophobicContact CD1-CD1 3.72Å; L237-L241 HydrophobicContact CD1-CG 4.46Å; L237-L241 HydrophobicContact CG-CB 4.46Å; L237-R242 HydrophobicContact CD2-CG 4.15Å
238P84.3Confident76.9Confident47 Ų47102 Ų10231%0.30550%0.499SS..  trans-63.1144.7-177.9-28.942.6000112Y215 E236 E240 L241Y215-P238 HydrophobicContact CE2-CB 3.94Å; Y215-P238 HydrophobicContact CE2-CG 4.47Å; Y215-P238 WeakPolarHBondContact OH-CB 3.21Å; Y215-P238 WeakPolarHBondContact OH-CG 3.5Å; E236-P238 WeakPolarHBondContact O-CD 3.27Å; P238-E240 VanDerWaalsContact CB-OE2 3.31Å; P238-E240 WeakPolarHBondContact CB-OE2 3.07Å; P238-E240 PolarHBondContact O-N 3.36Å; P238-L241 PolarHBondContact O-N 3.27Å
239K83.6Confident79Confident176 Ų176101.4 Ų101.477%0.76549%0.491SS*.Hα-helixtrans-60.9-32.9-174.7-65.8179-177.8177.20111.4L241 R242K239-L241 VanDerWaalsContact C-N 3.27Å; K239-L241 PolarHBondContact O-N 2.96Å; K239-R242 WeakPolarHBondContact O-CB 3.41Å; K239-R242 PolarHBondContact O-N 3.47Å; K239-R242 VanDerWaalsContact O-N 3.08Å
240E86.6Confident81Confident46 Ų46103 Ų10322%0.21549%0.493CS..Hα-helixtrans-60.6-35.9177.6-60.174-165.100111.6L211 S214 Y215 S218 P238 R242 K243L211-E240 WeakPolarHBondContact CD2-O 3.31Å; S214-E240 VanDerWaalsContact OG-CG 3.3Å; S214-E240 WeakPolarHBondContact OG-CG 3.38Å; Y215-E240 HydrophobicContact CD2-CB 3.73Å; Y215-E240 HydrophobicContact CD2-CG 4.03Å; Y215-E240 HydrophobicContact CE2-CB 3.77Å; Y215-E240 HydrophobicContact CE2-CG 4.38Å; S218-E240 WeakPolarHBondContact CB-OE1 3.49Å; S218-E240 WeakPolarHBondContact OG-CG 3.49Å; S218-E240 PolarHBondContact OG-OE1 3.08Å; P238-E240 VanDerWaalsContact CB-OE2 3.31Å; P238-E240 WeakPolarHBondContact CB-OE2 3.07Å; P238-E240 PolarHBondContact O-N 3.36Å; E240-R242 VanDerWaalsContact C-N 3.27Å; E240-R242 PolarHBondContact O-N 2.93Å; E240-K243 WeakPolarHBondContact O-CB 3.43Å; E240-K243 PolarHBondContact O-N 3.46Å
241L89Confident83Confident53 Ų53102.1 Ų102.128%0.27748%0.481SS..Hα-helixtrans-69.7-25.7177.3-66.1-172.4000112.6L211 Y215 L237 P238 K239 K243 L244L211-L241 HydrophobicContact CB-CD2 4.38Å; L211-L241 HydrophobicContact CD1-CD2 3.81Å; L211-L241 HydrophobicContact CD2-CD2 4.27Å; L211-L241 HydrophobicContact CG-CD2 4.4Å; Y215-L241 HydrophobicContact CE2-CD2 4.02Å; Y215-L241 HydrophobicContact CE2-CG 4Å; Y215-L241 VanDerWaalsContact OH-CD1 3.31Å; Y215-L241 WeakPolarHBondContact OH-CD1 3.35Å; Y215-L241 VanDerWaalsContact OH-CG 3.31Å; Y215-L241 WeakPolarHBondContact OH-CG 3.33Å; L237-L241 HydrophobicContact CD1-CB 3.99Å; L237-L241 HydrophobicContact CD1-CD1 3.72Å; L237-L241 HydrophobicContact CD1-CG 4.46Å; L237-L241 HydrophobicContact CG-CB 4.46Å; P238-L241 PolarHBondContact O-N 3.27Å; K239-L241 VanDerWaalsContact C-N 3.27Å; K239-L241 PolarHBondContact O-N 2.96Å; L241-K243 PolarHBondContact O-N 3.1Å; L241-L244 PolarHBondContact O-N 2.75Å
242R87.1Confident84.8Confident148 Ų14897 Ų9756%0.55846%0.455SS*.Hα-helixtrans-66.7-18.5175-57.8-175.5179.9-1322.1112.5L237 K239 E240 L244 D245L237-R242 HydrophobicContact CD2-CG 4.15Å; K239-R242 WeakPolarHBondContact O-CB 3.41Å; K239-R242 PolarHBondContact O-N 3.47Å; K239-R242 VanDerWaalsContact O-N 3.08Å; E240-R242 VanDerWaalsContact C-N 3.27Å; E240-R242 PolarHBondContact O-N 2.93Å; R242-L244 PolarHBondContact O-N 2.75Å; R242-L244 VanDerWaalsContact O-N 3.15Å; R242-D245 PolarHBondContact O-N 3.23Å; R242-D245 VanDerWaalsContact O-N 3.16Å
243K87.8Confident86.7Confident84 Ų8495.5 Ų95.537%0.36545%0.448SS..Hα-helixtrans-59.6-22.4174.5-167.2176179.4175.80113.2L211 E240 L241 D245 E246 M247L211-K243 HydrophobicContact CD2-CB 4.42Å; E240-K243 WeakPolarHBondContact O-CB 3.43Å; E240-K243 PolarHBondContact O-N 3.46Å; L241-K243 PolarHBondContact O-N 3.1Å; K243-D245 VanDerWaalsContact C-N 3.26Å; K243-D245 PolarHBondContact O-N 3.32Å; K243-E246 PolarHBondContact O-N 2.79Å; K243-M247 HydrophobicContact CD-SD 4.42Å; K243-M247 HydrophobicContact CG-CG 4.12Å; K243-M247 HydrophobicContact CG-SD 4.05Å; K243-M247 WeakPolarHBondContact O-CB 3.31Å; K243-M247 VanDerWaalsContact O-CG 3.27Å; K243-M247 WeakPolarHBondContact O-CG 3.27Å; K243-M247 PolarHBondContact O-N 3.26Å
244L90.9Very high88.4Confident69 Ų6997.4 Ų97.436%0.36145%0.449SS..Hα-helixtrans-56.6-41.6174.5-75.7175.3000112.5D207 L211 L241 R242 R248D207-L244 HydrophobicContact CB-CD2 4.15Å; L211-L244 HydrophobicContact CD1-CD1 3.81Å; L211-L244 HydrophobicContact CD1-CD2 3.64Å; L211-L244 HydrophobicContact CD1-CG 3.68Å; L211-L244 HydrophobicContact CD2-CD2 4.41Å; L211-L244 HydrophobicContact CD2-CG 4.19Å; L211-L244 HydrophobicContact CG-CD2 4.17Å; L211-L244 HydrophobicContact CG-CG 4.34Å; L241-L244 PolarHBondContact O-N 2.75Å; R242-L244 PolarHBondContact O-N 2.75Å; R242-L244 VanDerWaalsContact O-N 3.15Å; L244-R248 VanDerWaalsContact O-CB 3.32Å; L244-R248 WeakPolarHBondContact O-CB 3.11Å; L244-R248 PolarHBondContact O-N 2.75Å
245D91.4Very high90.1Very high94 Ų9493.3 Ų93.350%0.50343%0.425SS..Hα-helixtrans-69.9-36.7-179.1-70.2-34.4000111.4R242 K243 R248 R249R242-D245 PolarHBondContact O-N 3.23Å; R242-D245 VanDerWaalsContact O-N 3.16Å; K243-D245 VanDerWaalsContact C-N 3.26Å; K243-D245 PolarHBondContact O-N 3.32Å; D245-R248 PolarHBondContact O-N 3.08Å; D245-R249 WeakPolarHBondContact O-CG 3.21Å; D245-R249 PolarHBondContact O-N 2.98Å
246E92.4Very high91.2Very high92 Ų9288.6 Ų88.643%0.4340%0.404SS..Hα-helixtrans-63.2-53.9173.7-70.1165.7-17500110.8K243 R248 R249 E250K243-E246 PolarHBondContact O-N 2.79Å; E246-R248 PolarHBondContact O-N 3.08Å; E246-R249 VanDerWaalsContact CG-NH2 3.31Å; E246-R249 PolarHBondContact O-N 3.33Å; E246-E250 WeakPolarHBondContact O-CG 3.35Å; E246-E250 PolarHBondContact O-N 3.12Å
247M94.5Very high91.9Very high10 Ų1087.5 Ų87.55%0.04940%0.402CS..Hα-helixtrans-55.2-39.1177.3-70.9167.65900111.8D207 I210 K243 R251D207-M247 HydrophobicContact CB-CE 4.13Å; D207-M247 WeakPolarHBondContact OD1-CE 3.47Å; I210-M247 HydrophobicContact CB-CE 4.33Å; I210-M247 HydrophobicContact CD1-CE 3.71Å; I210-M247 HydrophobicContact CG2-CE 4.12Å; I210-M247 HydrophobicContact CG2-SD 3.96Å; K243-M247 HydrophobicContact CD-SD 4.42Å; K243-M247 HydrophobicContact CG-CG 4.12Å; K243-M247 HydrophobicContact CG-SD 4.05Å; K243-M247 WeakPolarHBondContact O-CB 3.31Å; K243-M247 VanDerWaalsContact O-CG 3.27Å; K243-M247 WeakPolarHBondContact O-CG 3.27Å; K243-M247 PolarHBondContact O-N 3.26Å; M247-R251 VanDerWaalsContact CE-NH2 3.27Å; M247-R251 WeakPolarHBondContact O-CB 3.09Å; M247-R251 WeakPolarHBondContact O-CD 3.32Å; M247-R251 WeakPolarHBondContact O-CG 3.34Å; M247-R251 PolarHBondContact O-N 2.78Å; M247-R251 VanDerWaalsContact O-N 3.12Å
248R95.4Very high92.6Very high119 Ų11984.2 Ų84.245%0.44939%0.388SS..Hα-helixtrans-64.6-48.5176.9-174.4-176.9176.7-168-1111.6G131 L244 D245 E246 R251 Q252G131-R248 VanDerWaalsContact O-CG 3.24Å; G131-R248 WeakPolarHBondContact O-CG 3.42Å; G131-R248 PolarHBondContact O-NE 2.89Å; G131-R248 VanDerWaalsContact O-NE 3.08Å; L244-R248 VanDerWaalsContact O-CB 3.32Å; L244-R248 WeakPolarHBondContact O-CB 3.11Å; L244-R248 PolarHBondContact O-N 2.75Å; D245-R248 PolarHBondContact O-N 3.08Å; E246-R248 PolarHBondContact O-N 3.08Å; R248-R251 PolarHBondContact O-N 3.02Å; R248-Q252 WeakPolarHBondContact O-CG 3.45Å; R248-Q252 PolarHBondContact O-N 2.65Å
249R95.9Very high93.2Very high141 Ų14183.8 Ų83.853%0.53238%0.38SS..Hα-helixtrans-63-46.1179.9-73.2-170.7-55.7-92.91.6111.8D245 E246 R251 Q252 E253D245-R249 WeakPolarHBondContact O-CG 3.21Å; D245-R249 PolarHBondContact O-N 2.98Å; E246-R249 VanDerWaalsContact CG-NH2 3.31Å; E246-R249 PolarHBondContact O-N 3.33Å; R249-R251 VanDerWaalsContact C-N 3.26Å; R249-R251 PolarHBondContact O-N 3.44Å; R249-Q252 WeakPolarHBondContact O-CB 3.18Å; R249-Q252 PolarHBondContact O-N 2.99Å; R249-Q252 VanDerWaalsContact O-N 3.11Å; R249-E253 PolarHBondContact O-N 3.06Å
250E96.8Very high93.8Very high125 Ų12576.8 Ų76.858%0.58435%0.353SS*.Hα-helixtrans-56.8-42.5177-71.2172.8-178.300111.5E246 E253 W254E246-E250 WeakPolarHBondContact O-CG 3.35Å; E246-E250 PolarHBondContact O-N 3.12Å; E250-E253 PolarHBondContact O-N 3.22Å; E250-W254 WeakPolarHBondContact O-CB 3.41Å; E250-W254 PolarHBondContact O-N 3.36Å
251R97.4Very high94.2Very high49 Ų4978.3 Ų78.319%0.18537%0.365CS..Hα-helixtrans-69.2-34.2177.2-74.9172.7-172.2167.24.9113.6T128 K129 D207 M247 R248 R249 A255T128-R251 WeakPolarHBondContact O-CD 3.43Å; T128-R251 PolarHBondContact O-NH1 3.47Å; K129-R251 WeakPolarHBondContact O-CB 3.41Å; K129-R251 WeakPolarHBondContact O-CD 3.35Å; K129-R251 WeakPolarHBondContact O-CG 3.37Å; D207-R251 IonicContact OD1-CZ 2.96Å; D207-R251 IonicContact OD1-NH1 2.75Å; D207-R251 PolarHBondContact OD1-NH1 3Å; D207-R251 IonicContact OD1-NH2 3.23Å; D207-R251 PolarHBondContact OD1-NH2 3.42Å; D207-R251 IonicContact OD2-CZ 3.79Å; D207-R251 IonicContact OD2-NH1 2.79Å; D207-R251 PolarHBondContact OD2-NH1 2.9Å; D207-R251 IonicContact OD2-NH2 3.94Å; M247-R251 VanDerWaalsContact CE-NH2 3.27Å; M247-R251 WeakPolarHBondContact O-CB 3.09Å; M247-R251 WeakPolarHBondContact O-CD 3.32Å; M247-R251 WeakPolarHBondContact O-CG 3.34Å; M247-R251 PolarHBondContact O-N 2.78Å; M247-R251 VanDerWaalsContact O-N 3.12Å; R248-R251 PolarHBondContact O-N 3.02Å; R249-R251 VanDerWaalsContact C-N 3.26Å; R249-R251 PolarHBondContact O-N 3.44Å; R251-A255 WeakPolarHBondContact O-CB 3.41Å; R251-A255 PolarHBondContact O-N 3.36Å
252Q96.9Very high94.5Very high58 Ų5878.1 Ų78.127%0.27137%0.366SS..Hα-helixtrans-64.6-47.1174.6-74.8179.3-34.800110.7G131 F133 R248 R249 A255 C256G131-Q252 VanDerWaalsContact O-CG 3.3Å; G131-Q252 WeakPolarHBondContact O-CG 3.39Å; G131-Q252 PolarHBondContact O-NE2 3.14Å; F133-Q252 HydrophobicContact CD2-CG 4.31Å; F133-Q252 HydrophobicContact CE2-CB 3.9Å; F133-Q252 HydrophobicContact CE2-CG 3.82Å; R248-Q252 WeakPolarHBondContact O-CG 3.45Å; R248-Q252 PolarHBondContact O-N 2.65Å; R249-Q252 WeakPolarHBondContact O-CB 3.18Å; R249-Q252 PolarHBondContact O-N 2.99Å; R249-Q252 VanDerWaalsContact O-N 3.11Å; Q252-A255 PolarHBondContact O-N 3.44Å; Q252-C256 PolarHBondContact O-N 3.48Å; Q252-C256 PolarHBondContact O-SG 3.38Å
253E96.3Very high94.8Very high133 Ų13381 Ų8162%0.62139%0.386SS*.Hα-helixtrans-60.3-49.7176.3-177.4176.8-172.500111.1R249 E250 A255 C256 N257R249-E253 PolarHBondContact O-N 3.06Å; E250-E253 PolarHBondContact O-N 3.22Å; E253-A255 VanDerWaalsContact C-N 3.29Å; E253-A255 PolarHBondContact O-N 3.05Å; E253-C256 PolarHBondContact O-N 3.48Å; E253-N257 PolarHBondContact O-N 3.2Å; E253-N257 VanDerWaalsContact O-N 3.1Å; E253-N257 PolarHBondContact O-ND2 3.25Å
254W96.9Very high95.1Very high123 Ų12387.6 Ų87.647%0.46641%0.409SS..Hα-helixtrans-55.2-44.9174.7172.482.1000112.1T130 E250 N257 C258 Y259T130-W254 HydrophobicContact CG2-CZ3 4.48Å; E250-W254 WeakPolarHBondContact O-CB 3.41Å; E250-W254 PolarHBondContact O-N 3.36Å; W254-N257 PolarHBondContact O-N 3.27Å; W254-C258 HydrophobicContact CZ2-CB 4.36Å; W254-C258 PolarHBondContact NE1-SG 3.41Å; W254-C258 WeakPolarHBondContact O-CB 3.5Å; W254-C258 PolarHBondContact O-N 2.89Å; W254-C258 PolarHBondContact O-SG 3.34Å; W254-Y259 AromaticContact CH2-CE2 3.88Å; W254-Y259 HydrophobicContact CH2-CE2 3.88Å; W254-Y259 AromaticContact CZ3-CE2 3.99Å; W254-Y259 HydrophobicContact CZ3-CE2 3.99Å
255A96.8Very high95.3Very high0 Ų086.2 Ų86.20%041%0.41CS..Hα-helixtrans-66.9-41.3-178.200000112.4T130 F133 R251 Q252 E253 N257 C258 Y259 L267T130-A255 HydrophobicContact CG2-CB 3.9Å; F133-A255 HydrophobicContact CD2-CB 4.31Å; R251-A255 WeakPolarHBondContact O-CB 3.41Å; R251-A255 PolarHBondContact O-N 3.36Å; Q252-A255 PolarHBondContact O-N 3.44Å; E253-A255 VanDerWaalsContact C-N 3.29Å; E253-A255 PolarHBondContact O-N 3.05Å; A255-N257 PolarHBondContact O-N 3.36Å; A255-C258 PolarHBondContact O-N 3.23Å; A255-C258 VanDerWaalsContact O-N 3.12Å; A255-Y259 HydrophobicContact CB-CD2 4.48Å; A255-Y259 PolarHBondContact O-N 3.08Å; A255-L267 HydrophobicContact CB-CD1 3.82Å
256C94.1Very high95.5Very high56 Ų5684 Ų8438%0.37840%0.398SS..Hα-helixtrans-60.8-34.2174-710000112.2Q252 E253Q252-C256 PolarHBondContact O-N 3.48Å; Q252-C256 PolarHBondContact O-SG 3.38Å; E253-C256 PolarHBondContact O-N 3.48Å
257N95.1Very high95.8Very high111 Ų11179.6 Ų79.659%0.59438%0.378SS*.Hα-helixtrans-79.5-19.7176.6-67.6-29000113.3E253 W254 A255 Y273E253-N257 PolarHBondContact O-N 3.2Å; E253-N257 VanDerWaalsContact O-N 3.1Å; E253-N257 PolarHBondContact O-ND2 3.25Å; W254-N257 PolarHBondContact O-N 3.27Å; A255-N257 PolarHBondContact O-N 3.36Å; N257-Y273 WeakPolarHBondContact O-CD2 3.3Å
258C95.7Very high95.9Very high34 Ų3479.7 Ų79.723%0.2338%0.381CS..Hα-helixtrans-99.1-29.2-177-70.30000113.9W254 A255 P272 Y273W254-C258 HydrophobicContact CZ2-CB 4.36Å; W254-C258 PolarHBondContact NE1-SG 3.41Å; W254-C258 WeakPolarHBondContact O-CB 3.5Å; W254-C258 PolarHBondContact O-N 2.89Å; W254-C258 PolarHBondContact O-SG 3.34Å; A255-C258 PolarHBondContact O-N 3.23Å; A255-C258 VanDerWaalsContact O-N 3.12Å; C258-P272 CarbonylContact O-C 3.54Å; C258-P272 WeakPolarHBondContact O-CA 3.46Å; C258-P272 WeakPolarHBondContact O-CB 3.39Å; C258-Y273 PolarHBondContact O-N 2.87Å
259Y96.6Very high95.8Very high39 Ų3975 Ų7515%0.15336%0.363CS..SBendtrans-130135.4-170.7-59.7-77.8000112.1F126 W254 A255 L267 P272 Y273F126-Y259 HydrophobicContact CE2-CE2 4.39Å; F126-Y259 HydrophobicContact CZ-CE2 4.42Å; W254-Y259 AromaticContact CH2-CE2 3.88Å; W254-Y259 HydrophobicContact CH2-CE2 3.88Å; W254-Y259 AromaticContact CZ3-CE2 3.99Å; W254-Y259 HydrophobicContact CZ3-CE2 3.99Å; A255-Y259 HydrophobicContact CB-CD2 4.48Å; A255-Y259 PolarHBondContact O-N 3.08Å; Y259-L267 HydrophobicContact CD2-CD1 4.2Å; Y259-L267 HydrophobicContact CG-CB 4.43Å; Y259-P272 HydrophobicContact CD1-CB 4.16Å; Y259-P272 HydrophobicContact CE1-CB 4.06Å; Y259-Y273 WeakPolarHBondContact O-CE2 3.36Å
260P96.7Very high95.7Very high28 Ų2872.6 Ų72.618%0.18236%0.356CS..PPolyproline II helixtrans-59.6138.6165-20.831.9000111.3A268 N271 Y273P260-A268 HydrophobicContact CB-CB 4.27Å; P260-A268 PolarHBondContact O-N 3.28Å; P260-N271 WeakPolarHBondContact CD-O 3.4Å; P260-N271 WeakPolarHBondContact CG-O 3.24Å; P260-Y273 HydrophobicContact CG-CD1 4.34Å; P260-Y273 HydrophobicContact CG-CE1 3.92Å; P260-Y273 HydrophobicContact CG-CE2 4.31Å
261V95.3Very high95.5Very high79 Ų7971.9 Ų71.948%0.47936%0.356SS..BIsolated β-bridgetrans-92.1126.3172.5-167.90000108.7L267V261-L267 HydrophobicContact CB-CD2 4.46Å; V261-L267 HydrophobicContact CG2-CD2 3.77Å
262T94.7Very high95.2Very high48 Ų4872.9 Ų72.929%0.29437%0.369SS..PPolyproline II helixtrans-72.4163.6173.362.80000111.1D136 R264 G265 L266D136-T262 HydrophobicContact CB-CG2 4.02Å; T262-R264 PolarHBondContact O-N 2.79Å; T262-G265 PolarHBondContact O-N 3.2Å; T262-L266 WeakPolarHBondContact CB-O 3.4Å; T262-L266 WeakPolarHBondContact CG2-O 3.22Å; T262-L266 PolarHBondContact N-O 3.4Å; T262-L266 WeakPolarHBondContact OG1-CB 3.43Å; T262-L266 PolarHBondContact OG1-N 3.26Å; T262-L266 VanDerWaalsContact OG1-N 3.1Å; T262-L266 PolarHBondContact OG1-O 3.11Å
263E93.6Very high94.9Very high208 Ų20875.8 Ų75.897%0.97238%0.379SS*.THydrogen-bonded Turntrans-54.6-24175.3-62.9177.917700113.8G265E263-G265 VanDerWaalsContact C-N 3.33Å
264R94.6Very high94.3Very high224 Ų22475 Ų7585%0.84539%0.385SS*.THydrogen-bonded Turntrans-89.35.8179.1-61.4-177.2-178.5-176.50.4113.7T262 L266T262-R264 PolarHBondContact O-N 2.79Å; R264-L266 VanDerWaalsContact C-N 3.3Å; R264-L266 HydrophobicContact CB-CD1 4.43Å; R264-L266 HydrophobicContact CB-CG 4.26Å; R264-L266 PolarHBondContact O-N 3.12Å
265G93.9Very high93.1Very high39 Ų3977.2 Ų77.240%0.40240%0.398SS..SBendtrans73.618.4-176.700000114.4T262 E263T262-G265 PolarHBondContact O-N 3.2Å; E263-G265 VanDerWaalsContact C-N 3.33Å
266L97Very high91.1Very high47 Ų4782.2 Ų82.225%0.24643%0.433CS..  trans-97.6150.3175.5-51176.2000110.5L134 D136 T262 R264L134-L266 HydrophobicContact CB-CD2 3.77Å; D136-L266 HydrophobicContact CB-CB 4.22Å; T262-L266 WeakPolarHBondContact CB-O 3.4Å; T262-L266 WeakPolarHBondContact CG2-O 3.22Å; T262-L266 PolarHBondContact N-O 3.4Å; T262-L266 WeakPolarHBondContact OG1-CB 3.43Å; T262-L266 PolarHBondContact OG1-N 3.26Å; T262-L266 VanDerWaalsContact OG1-N 3.1Å; T262-L266 PolarHBondContact OG1-O 3.11Å; R264-L266 VanDerWaalsContact C-N 3.3Å; R264-L266 HydrophobicContact CB-CD1 4.43Å; R264-L266 HydrophobicContact CB-CG 4.26Å; R264-L266 PolarHBondContact O-N 3.12Å
267L97.6Very high88.6Confident0 Ų088 Ų880%046%0.455CS..BIsolated β-bridgetrans-89.2130.8178.1-62.6-178.3000112.1F126 T130 F133 L134 P135 D136 A255 Y259 V261 R269F126-L267 HydrophobicContact CE1-CB 4.12Å; F126-L267 HydrophobicContact CE1-CD1 4.18Å; F126-L267 HydrophobicContact CZ-CB 4.05Å; F126-L267 HydrophobicContact CZ-CD1 4.24Å; T130-L267 HydrophobicContact CG2-CD1 3.85Å; F133-L267 HydrophobicContact CB-CD1 3.44Å; F133-L267 VanDerWaalsContact CB-CD1 3.44Å; F133-L267 HydrophobicContact CB-CG 3.71Å; F133-L267 HydrophobicContact CD2-CD1 4.08Å; F133-L267 HydrophobicContact CG-CD1 3.92Å; F133-L267 HydrophobicContact CG-CG 4.14Å; L134-L267 PolarHBondContact O-N 2.94Å; P135-L267 WeakPolarHBondContact CA-O 3.41Å; D136-L267 WeakPolarHBondContact CB-O 3.41Å; D136-L267 PolarHBondContact N-O 3.02Å; A255-L267 HydrophobicContact CB-CD1 3.82Å; Y259-L267 HydrophobicContact CD2-CD1 4.2Å; Y259-L267 HydrophobicContact CG-CB 4.43Å; V261-L267 HydrophobicContact CB-CD2 4.46Å; V261-L267 HydrophobicContact CG2-CD2 3.77Å; L267-R269 VanDerWaalsContact C-N 3.3Å; L267-R269 PolarHBondContact O-N 2.81Å
268A96.3Very high85.9Confident13 Ų1389.1 Ų89.111%0.10747%0.465CS..  trans-71.978.8176.300000111.4P260 F270 N271P260-A268 HydrophobicContact CB-CB 4.27Å; P260-A268 PolarHBondContact O-N 3.28Å; A268-F270 PolarHBondContact O-N 2.95Å; A268-N271 HydrophobicContact CB-CB 4.33Å; A268-N271 CarbonylContact O-C 3.59Å; A268-N271 PolarHBondContact O-N 3.02Å
269R94.6Very high83Confident20 Ų2092.5 Ų92.58%0.07549%0.485CS..THydrogen-bonded Turntrans-63.4-23.5-164.974.5177.9-72.5175.40.4114.6D122 F126 P135 D136 R137 S139 L267D122-R269 IonicContact OD1-NH2 3.71Å; D122-R269 PolarHBondContact OD1-NH2 2.85Å; D122-R269 IonicContact OD2-CZ 2.79Å; D122-R269 VanDerWaalsContact OD2-CZ 3.29Å; D122-R269 IonicContact OD2-NH1 3.67Å; D122-R269 PolarHBondContact OD2-NH1 3.15Å; D122-R269 IonicContact OD2-NH2 3.26Å; D122-R269 PolarHBondContact OD2-NH2 3.4Å; F126-R269 HydrophobicContact CD2-CB 4.29Å; F126-R269 HydrophobicContact CE2-CB 3.54Å; F126-R269 HydrophobicContact CZ-CB 3.69Å; P135-R269 HydrophobicContact CB-CB 4.18Å; P135-R269 HydrophobicContact CB-CG 4.2Å; D136-R269 PolarHBondContact OD1-N 3.45Å; D136-R269 VanDerWaalsContact OD1-N 3.11Å; R137-R269 WeakPolarHBondContact O-CD 3.32Å; S139-R269 PolarHBondContact OG-NH1 3.22Å; S139-R269 PolarHBondContact OG-NH2 3.37Å; S139-R269 VanDerWaalsContact OG-NH2 3.08Å; L267-R269 VanDerWaalsContact C-N 3.3Å; L267-R269 PolarHBondContact O-N 2.81Å
270F92.8Very high80.3Confident91 Ų9196.4 Ų96.440%0.39952%0.515SS..THydrogen-bonded Turntrans-102.26.1-179.1-64.9-72.7000113.2R137 A268 P272R137-F270 HydrophobicContact CG-CD2 4.12Å; R137-F270 HydrophobicContact CG-CE2 4.07Å; R137-F270 VanDerWaalsContact CZ-CD2 3.48Å; R137-F270 VanDerWaalsContact NE-CD2 3.33Å; R137-F270 VanDerWaalsContact NH2-CD2 3.32Å; A268-F270 PolarHBondContact O-N 2.95Å; F270-P272 VanDerWaalsContact C-CD 3.49Å
271N93.2Very high77.4Confident109 Ų109102.7 Ų102.758%0.58355%0.547SS*.SBendtrans-131.661.7175.4-170.137.3000110.5P260 A268P260-N271 WeakPolarHBondContact CD-O 3.4Å; P260-N271 WeakPolarHBondContact CG-O 3.24Å; A268-N271 HydrophobicContact CB-CB 4.33Å; A268-N271 CarbonylContact O-C 3.59Å; A268-N271 PolarHBondContact O-N 3.02Å
272P90.9Very high74.4Confident71 Ų71103.8 Ų103.846%0.46157%0.565SS.*PPolyproline II helixtrans-64.9153.8178.929.8-35.1000111.2C258 Y259 F270C258-P272 CarbonylContact O-C 3.54Å; C258-P272 WeakPolarHBondContact O-CA 3.46Å; C258-P272 WeakPolarHBondContact O-CB 3.39Å; Y259-P272 HydrophobicContact CD1-CB 4.16Å; Y259-P272 HydrophobicContact CE1-CB 4.06Å; F270-P272 VanDerWaalsContact C-CD 3.49Å
273Y90.5Very high71.4Confident119 Ų119109.3 Ų109.347%0.46759%0.592SS.*PPolyproline II helixtrans-58144.9171.5-69.4-65000110.3N257 C258 Y259 P260 K275N257-Y273 WeakPolarHBondContact O-CD2 3.3Å; C258-Y273 PolarHBondContact O-N 2.87Å; Y259-Y273 WeakPolarHBondContact O-CE2 3.36Å; P260-Y273 HydrophobicContact CG-CD1 4.34Å; P260-Y273 HydrophobicContact CG-CE1 3.92Å; P260-Y273 HydrophobicContact CG-CE2 4.31Å; Y273-K275 PolarHBondContact O-N 2.88Å
274P83.8Confident68.4Low115 Ų115102.1 Ų102.175%0.74757%0.574SS**PPolyproline II helixtrans-54.9132.5169.2-18.329.8000108.4S276P274-S276 PolarHBondContact O-N 3.15Å
275K72.1Confident65.4Low171 Ų171100.7 Ų100.774%0.74358%0.576SS**  trans-57.8113.3173.6-68.1-177.4179.6-178.10107.5Y273 Q277Y273-K275 PolarHBondContact O-N 2.88Å; K275-Q277 PolarHBondContact O-N 3.32Å
276S54.6Low62.4Low105 Ų105104.4 Ų104.473%0.73460%0.597SS**  trans-58.4112.6168.813.70000106.9P274 T278P274-S276 PolarHBondContact O-N 3.15Å; S276-T278 VanDerWaalsContact C-N 3.25Å; S276-T278 PolarHBondContact O-N 2.88Å
277Q42Very low59.1Low178 Ų178105.3 Ų105.383%0.83262%0.617SS**  trans-66.893.7165.7-71.8179.6-5.300106.3K275 T279K275-Q277 PolarHBondContact O-N 3.32Å; Q277-T279 PolarHBondContact O-N 3.11Å
278T37.9Very low55.8Low133 Ų133112.1 Ų112.182%0.81666%0.659SS**  trans-71.690.2160-8.90000105.7S276S276-T278 VanDerWaalsContact C-N 3.25Å; S276-T278 PolarHBondContact O-N 2.88Å
279T35Very low52.6Low105 Ų105119.6 Ų119.664%0.64469%0.692SS**PPolyproline II helixtrans-59128.4159.242.20000107.1Q277 D281Q277-T279 PolarHBondContact O-N 3.11Å; T279-D281 PolarHBondContact O-N 3.02Å
280P38.9Very low49.9Very low122 Ų122123.5 Ų123.579%0.79272%0.72SS**PPolyproline II helixtrans-63.7132.1169.220.6-19.8000108A282P280-A282 PolarHBondContact O-N 3.07Å
281D35.3Very low46.9Very low160 Ų160125.4 Ų125.486%0.85673%0.734SS**PPolyproline II helixtrans-46123.6-179.6-63.1-57.1000111.5T279T279-D281 PolarHBondContact O-N 3.02Å
282A32.4Very low43.8Very low102 Ų102124.6 Ų124.684%0.84374%0.737SS**  trans-94.696.1163.200000107.4P280 G284P280-A282 PolarHBondContact O-N 3.07Å; A282-G284 PolarHBondContact O-N 3.04Å
283D33.3Very low40.9Very low164 Ų164128.8 Ų128.888%0.87776%0.755SS**  trans-58.4124.7166.1-106.6-28.2000110.4
284G29.6Very low38Very low57 Ų57132.2 Ų132.259%0.58878%0.775SS**  trans52.9117.2145.400000119.8A282A282-G284 PolarHBondContact O-N 3.04Å
285H30.7Very low35.4Very low193 Ų193131.6 Ų131.689%0.89478%0.78SS**  -167.9145.6101.9-99.129.6000112.6
286S31.2Very low33.2Very low118 Ų118127.2 Ų127.283%0.82578%0.783SS**  trans-53.1152.6-176.556.50000116.5
287G28.1Very low32Very low66 Ų66128.8 Ų128.868%0.6879%0.788SS**  trans163.684.415400000116
288T28.9Very low32Very low143 Ų143125.3 Ų125.388%0.87778%0.781SS**  trans52.8106.9134.4-330000119.6
289Q28.3Very low31.6Very low169 Ų169123.7 Ų123.779%0.7978%0.781SS**  trans-68160.5151.8-122.8-157.7-26.900110
290P38.9Very low31.8Very low103 Ų103124.3 Ų124.367%0.66979%0.787SS**  -151.1173.458.939.1-16.9000118.1
291D29.1Very low31.4Very low131 Ų131126.6 Ų126.670%0.70179%0.787SS**  trans82.9109.8145.5-71.6-7.9000123.1
292S28.9Very low31.5Very low92 Ų92125 Ų12564%0.64379%0.785SS**  91.4112.8114.4-64.30000121.6
293L30Very low31.2Very low158 Ų158125 Ų12583%0.82778%0.779SS**  81.8124.6128.2-65.5168.5000121.6
294E29.8Very low31.4Very low191 Ų191122.5 Ų122.589%0.89377%0.771SS**  trans96142.8137.7-81-166.3172.300122.5
295A27.9Very low31.3Very low103 Ų103129.7 Ų129.785%0.85179%0.787SS**  trans-97.9157.6-164.300000112.2
296G26.6Very low31.1Very low78 Ų78126.2 Ų126.280%0.80478%0.778SS**  trans173.198.1165.800000114.2
297T28.7Very low30.8Very low138 Ų138128.3 Ų128.385%0.84778%0.78SS**  trans-77.1171.7152.5-10.50000108.7
298P42.9Very low30.8Very low106 Ų106133.4 Ų133.469%0.68878%0.784SS**  cis-141.6158.5-338.4-18.7000117.9
299A28.5Very low30.6Very low98 Ų98133.3 Ų133.381%0.8178%0.778SS**  trans48.3171.3145.600000121.1
300P40.7Very low30.5Very low119 Ų119131.7 Ų131.777%0.77378%0.78SS**  cis-130.2-179.1-3.536.5-15.4000115.6
301H29.1Very low29.8Very low170 Ų170131 Ų13179%0.78778%0.778SS**  trans-46.6160.5177.6-59.8-83.4000117.3
302P36.9Very low29.6Very low126 Ų126132 Ų13282%0.81878%0.782SS**  -145.1148.580.935.2-15.5000116.3
303S26.4Very low29.5Very low102 Ų102134.1 Ų134.171%0.71379%0.792SS**  trans-68.1-179.4157.8-36.20000110.2
304P37.1Very low29.3Very low111 Ų111132.4 Ų132.472%0.72179%0.788SS**  cis-134.2175-1.139.4-21.7000113.2
305K27.6Very low29.1Very low209 Ų209134 Ų13491%0.90979%0.786SS**  trans-165.5126.1143.7-105.5161.1-166.8-172.80111.8
306V26.8Very low29Very low119 Ų119136.6 Ų136.672%0.72178%0.784SS**  trans-75.4135.8167.3168.80000107.7
307D26.2Very low29Very low162 Ų162140.8 Ų140.887%0.86679%0.788SS**  trans-163.6153.3136.8-98.7-32.6000113.4
308K27.2Very low28.9Very low174 Ų174144.2 Ų144.276%0.75779%0.791SS**  trans-90.3160.1-160.5-63.4167.4170.6171.60113.6
309N25.9Very low28.1Very low140 Ų140148.1 Ų148.175%0.74980%0.8SS**  trans116.4128.3135.7-78.2-8.6000118.9
310T25.1Very low28Very low135 Ų135149 Ų14983%0.82880%0.8SS**  trans67.3142.8146.333.80000118.3
311S23.4Very low27.2Very low90 Ų90151.1 Ų151.163%0.62981%0.806SS**  cis-170.7148.3-4.9-170.80000106.4
312L26Very low27.2Very low151 Ų151149.7 Ų149.779%0.79180%0.799SS**  trans46.1118.6153.1-67158.4000119.8
313T26.1Very low26.7Very low137 Ų137153 Ų15384%0.8481%0.806SS**  179.3134.5114.229.10000112.5
314T25.6Very low26.7Very low122 Ų122155.5 Ų155.575%0.74881%0.806SS**  trans-26.6135162.248.10000116.9
315R25.4Very low26.3Very low225 Ų225154.7 Ų154.785%0.84981%0.809SS**  170.7120.7119.2-95.1174.1179.3-170.20113.6
316L27.1Very low26.3Very low157 Ų157151.9 Ų151.982%0.82280%0.799SS**  trans51.594.3131.5-58.5169.4000118
317D25.4Very low26.7Very low165 Ų165151.3 Ų151.388%0.88280%0.795SS**  trans-65.8127.5156.9-73.2-46.1000110.3E319D317-E319 PolarHBondContact O-N 3.29Å
318K27.6Very low27Very low211 Ų211151.8 Ų151.892%0.91779%0.794SS**  trans-69.3113.2171.9-94.9173.8169.9175.40109.4S320K318-S320 PolarHBondContact O-N 3.15Å
319E26Very low27.2Very low187 Ų187146.5 Ų146.587%0.87479%0.789SS**  trans-58.9129.6165.9-73.7177.314300110.9D317 N321D317-E319 PolarHBondContact O-N 3.29Å; E319-N321 PolarHBondContact O-N 3.16Å
320S25.6Very low27.9Very low116 Ų116151.8 Ų151.881%0.81180%0.799SS**  trans-73.9106168-175.60000108.3K318 Q322K318-S320 PolarHBondContact O-N 3.15Å; S320-Q322 PolarHBondContact O-N 3.03Å
321N25Very low28.2Very low165 Ų165148.6 Ų148.688%0.88279%0.793SS**  trans-64.8102175.8-112.1-14.7000109.9E319E319-N321 PolarHBondContact O-N 3.16Å
322Q28.8Very low28.5Very low140 Ų140151.4 Ų151.465%0.65480%0.798SS**  trans-113.4114160.4-166.2165.196.400105.9S320 Q324S320-Q322 PolarHBondContact O-N 3.03Å; Q322-Q324 VanDerWaalsContact C-N 3.33Å; Q322-Q324 PolarHBondContact O-N 3.06Å
323M25.6Very low28.7Very low196 Ų196152.6 Ų152.697%0.96680%0.804SS**  trans-52.796.7177.7-95.3162.960.800110
324Q26.6Very low29.1Very low153 Ų153152.8 Ų152.872%0.71580%0.799SS**  trans-91.6107.1172.3-129.91749.800105.9Q322 H326Q322-Q324 VanDerWaalsContact C-N 3.33Å; Q322-Q324 PolarHBondContact O-N 3.06Å; Q324-H326 PolarHBondContact O-N 3.49Å; Q324-H326 PolarHBondContact OE1-NE2 2.95Å
325A29.1Very low29.1Very low94 Ų94150 Ų15078%0.77780%0.795SS**  trans-69.192.1160.200000107V327A325-V327 VanDerWaalsContact C-N 3.27Å; A325-V327 PolarHBondContact O-N 3.08Å
326H28.1Very low29.6Very low150 Ų150149.3 Ų149.369%0.69480%0.798SS**  trans-67.889.1166.8-98.8-80.6000108.4Q324 M328Q324-H326 PolarHBondContact O-N 3.49Å; Q324-H326 PolarHBondContact OE1-NE2 2.95Å; H326-M328 PolarHBondContact O-N 2.94Å
327V35.5Very low29.8Very low107 Ų107150.5 Ų150.565%0.64880%0.799SS**  trans-82.398.5159.6-178.50000105.9A325 G329A325-V327 VanDerWaalsContact C-N 3.27Å; A325-V327 PolarHBondContact O-N 3.08Å; V327-G329 PolarHBondContact O-N 3.01Å
328M32.3Very low29.9Very low172 Ų172151 Ų15185%0.84780%0.796SS**  trans-62.4106.2169-117.1173-170.400107.6H326 R330H326-M328 PolarHBondContact O-N 2.94Å; M328-R330 PolarHBondContact O-N 3.33Å; M328-R330 VanDerWaalsContact O-N 3.12Å
329G31.9Very low30.1Very low63 Ų63145.9 Ų145.965%0.64979%0.787SS**  trans-58.8116169.900000108.8V327 G331V327-G329 PolarHBondContact O-N 3.01Å; G329-G331 PolarHBondContact O-N 3.11Å
330R39Very low30.5Very low251 Ų251142 Ų14295%0.94778%0.781SS**  trans-73.972.9169.8-68.6-171.4-178.5-154.12.4108.9M328 M332M328-R330 PolarHBondContact O-N 3.33Å; M328-R330 VanDerWaalsContact O-N 3.12Å; R330-M332 PolarHBondContact O-N 3.06Å
331G31.1Very low30.7Very low68 Ų68143.1 Ų143.170%0.70178%0.782SS**  trans-73.3100.6165.300000108.8G329 L333G329-G331 PolarHBondContact O-N 3.11Å; G331-L333 PolarHBondContact O-N 3.2Å
332M29.6Very low30.9Very low150 Ų150140.1 Ų140.174%0.73977%0.772SS**  trans-64.7114.8171.6-165.8179.949.200109.1R330 L334R330-M332 PolarHBondContact O-N 3.06Å; M332-L334 HydrophobicContact CE-CD1 3.44Å; M332-L334 VanDerWaalsContact CE-CD1 3.44Å; M332-L334 HydrophobicContact CE-CD2 4.38Å; M332-L334 HydrophobicContact CE-CG 3.77Å; M332-L334 PolarHBondContact O-N 3.01Å; M332-L334 VanDerWaalsContact O-N 3.16Å
333L32.2Very low30.9Very low176 Ų176139 Ų13992%0.92178%0.779SS**  trans-67.8101.1166.6-98.4148.4000108.2G331G331-L333 PolarHBondContact O-N 3.2Å
334L33Very low31Very low141 Ų141139 Ų13974%0.73877%0.774SS**  trans-92.2106.1169.5-88.2165.3000109.9M332M332-L334 HydrophobicContact CE-CD1 3.44Å; M332-L334 VanDerWaalsContact CE-CD1 3.44Å; M332-L334 HydrophobicContact CE-CD2 4.38Å; M332-L334 HydrophobicContact CE-CG 3.77Å; M332-L334 PolarHBondContact O-N 3.01Å; M332-L334 VanDerWaalsContact O-N 3.16Å
335G27Very low31Very low63 Ų63139.9 Ų139.965%0.64978%0.783SS**  trans-60.6160.7157.200000111.4E337G335-E337 PolarHBondContact O-N 3.35Å
336K34.8Very low31.1Very low210 Ų210141 Ų14191%0.91379%0.785SS**SBendtrans-46.5126.8176.7-73.6169.5171.8173.80111.4
337E30.6Very low31.2Very low182 Ų182138.7 Ų138.785%0.8579%0.786SS**  -179.8176.7116.8-95.9-164.4166.600112.5G335G335-E337 PolarHBondContact O-N 3.35Å
338Q28.4Very low31Very low175 Ų175137.4 Ų137.482%0.81879%0.794SS**  trans-82.6156.4-145.9-59.5171.64.300116.3
339S31.6Very low31.2Very low104 Ų104140 Ų14073%0.72779%0.794SS**  trans73.8126.7140.6-172.30000121.7
340S34.7Very low31.2Very low106 Ų106140.6 Ų140.674%0.74180%0.8SS**  trans69.795149.557.70000119.8
341V30.4Very low30.9Very low140 Ų140138.4 Ų138.485%0.84880%0.798SS**  trans-140.9138.4153.7-1760000108.4
342P29.3Very low30.8Very low102 Ų102142.5 Ų142.566%0.66280%0.803SS**  trans-76.3151.7-16229.4-34.7000114F344P342-F344 PolarHBondContact O-N 3.19Å
343S29.1Very low31.1Very low115 Ų115142 Ų14280%0.80480%0.803SS**  trans-64.4110.6176.950.80000112L345S343-L345 PolarHBondContact O-N 3.06Å
344F27.4Very low31Very low197 Ų197142 Ų14286%0.86480%0.798SS**  trans-73.3116.8163.6-78.4-83.7000109.8P342 S346P342-F344 PolarHBondContact O-N 3.19Å; F344-S346 PolarHBondContact O-N 2.92Å
345L26.6Very low31Very low171 Ų171144.2 Ų144.290%0.89580%0.802SS**  trans-63.5111.3169.1-80.2156.3000109S343 S347S343-L345 PolarHBondContact O-N 3.06Å; L345-S347 PolarHBondContact O-N 3.31Å
346S30.1Very low31.1Very low117 Ų117146.1 Ų146.182%0.81881%0.812SS**  trans-72.891.5171.963.60000109.7F344 G348F344-S346 PolarHBondContact O-N 2.92Å; S346-G348 PolarHBondContact O-N 3.3Å
347S30.1Very low30.9Very low103 Ų103145.3 Ų145.372%0.7281%0.811SS**  trans-82.2103163.3-151.40000107.4L345 R349L345-S347 PolarHBondContact O-N 3.31Å; S347-R349 PolarHBondContact O-N 3.47Å; S347-R349 VanDerWaalsContact O-N 3.15Å
348G32.2Very low31Very low79 Ų79141.8 Ų141.881%0.81481%0.807SS**  trans-59.5116.2174.700000110.1S346S346-G348 PolarHBondContact O-N 3.3Å
349R36.8Very low31.1Very low226 Ų226142.8 Ų142.885%0.85381%0.811SS**  trans-108.7118.4163.5-68.1-171.5-178.1-154.51.2106.7S347S347-R349 PolarHBondContact O-N 3.47Å; S347-R349 VanDerWaalsContact O-N 3.15Å
350G30.8Very low31.1Very low76 Ų76145 Ų14578%0.78481%0.813SS**  trans-63.4143.8175.700000110.7L352G350-L352 PolarHBondContact O-N 2.95Å
351F33.3Very low30.9Very low206 Ų206145.9 Ų145.990%0.90482%0.817SS**  trans-73.8121.8165.4-76.6-87.9000108.3L353F351-L353 PolarHBondContact O-N 3.26Å
352L29.5Very low30.9Very low153 Ų153148.5 Ų148.580%0.80182%0.82SS**  trans-78.5110.2177.2-158.2120.6000108.1G350 Q354G350-L352 PolarHBondContact O-N 2.95Å; L352-Q354 PolarHBondContact O-N 2.86Å
353L34.9Very low30.9Very low139 Ų139153.2 Ų153.273%0.72883%0.833SS**  trans-66.298.1168.1-96.8127.7000108.6F351 K355F351-L353 PolarHBondContact O-N 3.26Å; L353-K355 PolarHBondContact O-N 2.98Å
354Q30.2Very low30.9Very low178 Ų178151.5 Ų151.583%0.83283%0.833SS**  trans-79.9103.6167.6-148.6171.721.900107.9L352L352-Q354 PolarHBondContact O-N 2.86Å
355K32.8Very low31.1Very low186 Ų186147.5 Ų147.581%0.80984%0.837SS**PPolyproline II helixtrans-71.7125.4164.6-82.2-176.2175.1-178.10107.9L353 Q357L353-K355 PolarHBondContact O-N 2.98Å; K355-Q357 PolarHBondContact O-N 3.38Å
356A30.1Very low31.1Very low104 Ų104143.3 Ų143.386%0.8684%0.835SS**PPolyproline II helixtrans-65.9120.9163.600000108.3
357Q29.6Very low30.9Very low192 Ų192141.2 Ų141.290%0.89783%0.831SS**PPolyproline II helixtrans-79.2120.6172.8-78.2173.5-31.300109.1K355K355-Q357 PolarHBondContact O-N 3.38Å
358S32.2Very low30.9Very low109 Ų109144.8 Ų144.876%0.76284%0.839SS**PPolyproline II helixtrans-78.7130.6166.551.30000109.6
359Q31.2Very low30.8Very low195 Ų195150.2 Ų150.291%0.91184%0.84SS**PPolyproline II helixtrans-62.1138.1178-63.9178.4-7.500111.9
360I32.3Very low30.5Very low151 Ų151150.3 Ų150.377%0.77484%0.84SS**  trans-128.4138.3161.3-61.4177.3000106.2
361P30.5Very low30.3Very low125 Ų125155.1 Ų155.181%0.81284%0.843SS**  trans-76.6147.3-173.1-320.6000112.4
362E30.2Very low30Very low195 Ų195153.3 Ų153.391%0.91184%0.837SS**  trans-69.7141.6171.1-74.1-165.8145.700112.7
363E29.5Very low29.8Very low201 Ų201154.9 Ų154.994%0.93984%0.842SS**  trans-151.3135.9142.8-115.2-171.2179.300110.5
364G29.6Very low29.5Very low79 Ų79152.3 Ų152.381%0.81484%0.841SS**  trans108.488.7144.100000119
365A30.1Very low29.3Very low113 Ų113152.6 Ų152.693%0.93485%0.847SS**  trans-41.4148167.600000118.5
366G27.4Very low29Very low83 Ų83147.4 Ų147.486%0.85685%0.847SS**  trans177102.315900000112.7
367G26.5Very low28.9Very low72 Ų72146.9 Ų146.974%0.74284%0.843SS**  trans-91.4178.1-169.200000117.9
368M30Very low28.8Very low178 Ų178146 Ų14688%0.87784%0.844SS**  trans66.3135.5166.6-82.3124.38400116.5
369K29.6Very low28.6Very low194 Ų194146.2 Ų146.284%0.84385%0.845SS**  cis-161.5156.628.5-123.4167.6-173.4179.30110.3
370R29.7Very low28.5Very low227 Ų227142 Ų14286%0.85784%0.838SS**  trans-74.2137.6175.5-162.9-176.6-157.1-168.64.3111.3
371Q27.3Very low28.3Very low178 Ų178141 Ų14183%0.83284%0.839SS**  trans-156.2110.4151-144.1159.73.400112
372E27Very low28.2Very low167 Ų167142.6 Ų142.678%0.7884%0.839SS**  trans-74.9145157.3-78.3171.5127.900109.3
373M26Very low28Very low187 Ų187139.9 Ų139.992%0.92184%0.837SS**  trans-155.7134.4140.5-116.8-178-129.900110.6
374A27.7Very low28.1Very low85 Ų85139.7 Ų139.770%0.70283%0.833SS**  trans-101.1165.3-178.800000111.4
375L27.3Very low28.5Very low183 Ų183142.3 Ų142.396%0.95884%0.835SS**  trans73.7132152.7-62.5166.2000119.7
376G25.7Very low28.3Very low78 Ų78140.2 Ų140.280%0.80483%0.825SS**  trans172.275.5165.600000112.4
377A28Very low28.4Very low93 Ų93141.3 Ų141.377%0.76982%0.819SS**  trans-67.2147.6163.900000110.2
378N27.9Very low28.5Very low174 Ų174144 Ų14493%0.9382%0.817SS**  trans-158.5132149.7-94.7-23.6000111.5
379S27.8Very low28.5Very low112 Ų112142 Ų14278%0.78381%0.81SS**  trans-98.2147.7172.861.70000111.1
380S28.5Very low28.5Very low107 Ų107139.5 Ų139.575%0.74881%0.805SS**  trans-175.3107.814843.20000109.4
381T28.5Very low28.5Very low131 Ų131137.1 Ų137.180%0.80480%0.804SS**  66.4113.798.541.10000118
382L28.2Very low28.7Very low157 Ų157133.8 Ų133.882%0.82280%0.8SS**  trans44.6125132.3-109.785.2000120.3
383T26.5Very low29.4Very low139 Ų139131.6 Ų131.685%0.85380%0.801SS**  179.9140.3105.624.60000113
384K30.8Very low29.8Very low197 Ų197131.9 Ų131.986%0.85780%0.796SS**  trans-88.9163.4159.6-85.7-177.4174-179.80109.5
385P38Very low29.8Very low134 Ų134135.6 Ų135.687%0.8781%0.805SS**  -137.2162104.820.70.5000111.1
386G26.9Very low29.9Very low69 Ų69132.6 Ų132.671%0.71179%0.794SS**  cis118.895.739.700000106.7
387S28Very low30Very low106 Ų106134.9 Ų134.974%0.74180%0.797SS**  92.9151.69595.60000116
388N28.7Very low30Very low129 Ų129137.9 Ų137.969%0.6980%0.799SS**  trans103106.5166.7-54.9-5.9000115.1
389N30.8Very low30.1Very low136 Ų136138 Ų13873%0.72780%0.799SS**  73130.393.7-60.6-4.5000109.7
390D29.7Very low30.1Very low140 Ų140135.9 Ų135.975%0.74980%0.795SS**  cis-169.8171.442.8-122.9-36.3000110.9
391E29.8Very low30.2Very low178 Ų178140.2 Ų140.283%0.83280%0.803SS**  trans68.9117150.8-76-179.7143.800122.6
392S30.5Very low30.3Very low108 Ų108142.4 Ų142.476%0.75580%0.804SS**  trans-85.4154.1144.1620000110.4
393P42.9Very low30.5Very low121 Ų121140.9 Ų140.979%0.78680%0.804SS**  -148.5161.892.834-14.8000116.9
394K33.7Very low30.7Very low192 Ų192139 Ų13984%0.83580%0.796SS**  trans-12.2138.2164.1-65.4171.2176.5175.90118.5
395N28.1Very low30.9Very low163 Ų163135 Ų13587%0.87279%0.79SS**  -153.5143.4129.5-98.4-22.1000112.7
396T28.8Very low30.9Very low121 Ų121134.6 Ų134.674%0.74279%0.788SS**  trans-65.3151.6176.340.90000113.8
397C27.6Very low31.4Very low126 Ų126141.2 Ų141.285%0.85179%0.793SS**  173.9142.3114.5-87.70000112.6
398D27.7Very low31.7Very low155 Ų155141.6 Ų141.683%0.82979%0.793SS**  trans-33.6150.4170.6-86.1-48.5000117.3
399L30.7Very low32.1Very low178 Ų178139.2 Ų139.293%0.93279%0.786SS**  -174.1115.1126.9-97158.7000111.8
400G27.4Very low32.7Very low67 Ų67138.3 Ų138.369%0.69178%0.78SS**  trans88.690135.400000118.9
401E30.6Very low33.2Very low198 Ų198134.4 Ų134.493%0.92576%0.764SS**  trans-68.2126.8154.4-69.5-175.7149.400110.4
402H30.5Very low33.7Very low176 Ų176128.6 Ų128.682%0.81574%0.743SS**  trans-120.6133.2159.5-90.5-67.1000109.3S404H402-S404 PolarHBondContact O-N 3.23Å
403P32.1Very low34.2Very low125 Ų125125.6 Ų125.681%0.81272%0.718SS**PPolyproline II helixtrans-71.9128.6-176.327.6-31.6000110.9
404S31.8Very low34.3Very low100 Ų100123.6 Ų123.670%0.69970%0.7SS**PPolyproline II helixtrans-67.8141.3173.1-8.10000110H402H402-S404 PolarHBondContact O-N 3.23Å
405P34.1Very low34.8Very low113 Ų113120 Ų12073%0.73469%0.686SS**PPolyproline II helixtrans-66.6150.6174.528.5-32.4000110.4Y407P405-Y407 PolarHBondContact O-N 3.1Å
406P37.7Very low35.6Very low126 Ų126115.2 Ų115.282%0.81867%0.666SS**PPolyproline II helixtrans-64.6130.4-173.225.1-32.1000111.3
407Y37.8Very low36.2Very low207 Ų207111.8 Ų111.881%0.81264%0.641SS**PPolyproline II helixtrans-49140.1169-71.1-92.9000111.1P405 S409P405-Y407 PolarHBondContact O-N 3.1Å; Y407-S409 PolarHBondContact O-N 3.31Å; Y407-S409 VanDerWaalsContact O-N 3.12Å
408P34.2Very low36.7Very low114 Ų114114.2 Ų114.274%0.7463%0.632SS**PPolyproline II helixtrans-62.3120.317024.7-29.8000108.9
409S37.5Very low37.2Very low79 Ų79111 Ų11155%0.55262%0.622SS**PPolyproline II helixtrans-66147.3179.579.10000110.7Y407 S411 S412Y407-S409 PolarHBondContact O-N 3.31Å; Y407-S409 VanDerWaalsContact O-N 3.12Å; S409-S411 PolarHBondContact O-N 3.33Å; S409-S411 WeakPolarHBondContact OG-CB 2.92Å; S409-S412 PolarHBondContact O-N 3.12Å
410I42.3Very low37.7Very low117 Ų117106 Ų10660%0.659%0.593SS**THydrogen-bonded Turntrans-46.5-19173-68.2164.8000113.1S412 L413 I414I410-S412 PolarHBondContact O-N 3Å; I410-L413 PolarHBondContact O-N 3.37Å; I410-I414 HydrophobicContact CG2-CD1 4.05Å; I410-I414 HydrophobicContact CG2-CG1 4.42Å; I410-I414 PolarHBondContact O-N 2.85Å
411S40.5Very low37.9Very low59 Ų59113.2 Ų113.241%0.41360%0.599SS.*Hα-helixtrans-54.9-42.1171.4-172.20000113.9S409 L413 I414 Q415S409-S411 PolarHBondContact O-N 3.33Å; S409-S411 WeakPolarHBondContact OG-CB 2.92Å; S411-L413 PolarHBondContact O-N 3.24Å; S411-I414 PolarHBondContact O-N 2.87Å; S411-Q415 WeakPolarHBondContact O-CB 3.33Å; S411-Q415 VanDerWaalsContact O-CG 3.3Å; S411-Q415 WeakPolarHBondContact O-CG 3.33Å; S411-Q415 PolarHBondContact O-N 3Å
412S40.3Very low37.9Very low56 Ų56114.1 Ų114.139%0.39261%0.61SS.*Hα-helixtrans-72.3-29.9-175.881.70000112.6S409 I410 Q415 S416S409-S412 PolarHBondContact O-N 3.12Å; I410-S412 PolarHBondContact O-N 3Å; S412-Q415 WeakPolarHBondContact O-CB 3.4Å; S412-Q415 PolarHBondContact O-N 2.92Å; S412-S416 PolarHBondContact O-N 2.95Å
413L42.4Very low38.2Very low44 Ų44111.1 Ų111.123%0.2360%0.6CS.*Hα-helixtrans-73.9-40.7173.6-106.5115000111.9E169 M172 I410 S411 Q415 S416 F417E169-L413 HydrophobicContact CG-CD1 4.3Å; M172-L413 HydrophobicContact CE-CD2 3.53Å; I410-L413 PolarHBondContact O-N 3.37Å; S411-L413 PolarHBondContact O-N 3.24Å; L413-Q415 PolarHBondContact O-N 2.9Å; L413-S416 WeakPolarHBondContact O-CB 3.15Å; L413-S416 PolarHBondContact O-N 2.93Å; L413-S416 VanDerWaalsContact O-N 3.15Å; L413-F417 HydrophobicContact CD2-CE2 3.98Å; L413-F417 WeakPolarHBondContact O-CD2 3.4Å; L413-F417 PolarHBondContact O-N 3.29Å
414I45Very low38.6Very low80 Ų80110.3 Ų110.341%0.4159%0.589SS.*Hα-helixtrans-62.1-35.7171-67.1173.6000110I410 S411 F417 R418I410-I414 HydrophobicContact CG2-CD1 4.05Å; I410-I414 HydrophobicContact CG2-CG1 4.42Å; I410-I414 PolarHBondContact O-N 2.85Å; S411-I414 PolarHBondContact O-N 2.87Å; I414-F417 CarbonylContact O-C 3.5Å; I414-F417 PolarHBondContact O-N 2.89Å; I414-R418 HydrophobicContact CG2-CG 4.25Å; I414-R418 WeakPolarHBondContact O-CB 3.37Å; I414-R418 VanDerWaalsContact O-CG 3.22Å; I414-R418 WeakPolarHBondContact O-CG 2.98Å; I414-R418 PolarHBondContact O-N 3.37Å
415Q42.7Very low38.9Very low116 Ų116110.9 Ų110.954%0.54258%0.583SS.*Hα-helixtrans-66.9-38.7172.6-75.7173.2-1100112.4S411 S412 L413 F417 R418 S419S411-Q415 WeakPolarHBondContact O-CB 3.33Å; S411-Q415 VanDerWaalsContact O-CG 3.3Å; S411-Q415 WeakPolarHBondContact O-CG 3.33Å; S411-Q415 PolarHBondContact O-N 3Å; S412-Q415 WeakPolarHBondContact O-CB 3.4Å; S412-Q415 PolarHBondContact O-N 2.92Å; L413-Q415 PolarHBondContact O-N 2.9Å; Q415-F417 VanDerWaalsContact C-N 3.35Å; Q415-R418 CarbonylContact O-C 3.56Å; Q415-R418 PolarHBondContact O-N 3.48Å; Q415-S419 WeakPolarHBondContact O-CB 3.35Å; Q415-S419 PolarHBondContact O-N 2.89Å
416S45.3Very low39.2Very low63 Ų63110.8 Ų110.844%0.44157%0.574SS.*Hα-helixtrans-61-44.2171.1-164.20000110.8S412 L413 R418 S419 F420S412-S416 PolarHBondContact O-N 2.95Å; L413-S416 WeakPolarHBondContact O-CB 3.15Å; L413-S416 PolarHBondContact O-N 2.93Å; L413-S416 VanDerWaalsContact O-N 3.15Å; S416-R418 PolarHBondContact O-N 3.38Å; S416-S419 WeakPolarHBondContact O-CB 3.49Å; S416-S419 PolarHBondContact O-N 3.29Å; S416-F420 WeakPolarHBondContact O-CD2 3.44Å; S416-F420 VanDerWaalsContact O-CE2 3.29Å; S416-F420 WeakPolarHBondContact O-CE2 3.48Å; S416-F420 PolarHBondContact O-N 2.79Å
417F41.8Very low39.3Very low49 Ų49109.8 Ų109.822%0.21556%0.558CS.*Hα-helixtrans-67.2-29.6173.7-76.5-67000114.4V161 P181 V185 L413 I414 Q415V161-F417 HydrophobicContact CG1-CZ 4.44Å; V161-F417 HydrophobicContact CG2-CE1 3.93Å; V161-F417 HydrophobicContact CG2-CZ 4.22Å; P181-F417 HydrophobicContact CB-CD1 4.18Å; P181-F417 HydrophobicContact CB-CG 4.31Å; V185-F417 HydrophobicContact CG2-CE1 4.48Å; L413-F417 HydrophobicContact CD2-CE2 3.98Å; L413-F417 WeakPolarHBondContact O-CD2 3.4Å; L413-F417 PolarHBondContact O-N 3.29Å; I414-F417 CarbonylContact O-C 3.5Å; I414-F417 PolarHBondContact O-N 2.89Å; Q415-F417 VanDerWaalsContact C-N 3.35Å
418R38.6Very low39.4Very low176 Ų176103.3 Ų103.366%0.66454%0.542SS*.Hα-helixtrans-77.8-28.9173.2-75.5174.9-178-171.71.6112.3I414 Q415 S416 F420 R421I414-R418 HydrophobicContact CG2-CG 4.25Å; I414-R418 WeakPolarHBondContact O-CB 3.37Å; I414-R418 VanDerWaalsContact O-CG 3.22Å; I414-R418 WeakPolarHBondContact O-CG 2.98Å; I414-R418 PolarHBondContact O-N 3.37Å; Q415-R418 CarbonylContact O-C 3.56Å; Q415-R418 PolarHBondContact O-N 3.48Å; S416-R418 PolarHBondContact O-N 3.38Å; R418-F420 PolarHBondContact O-N 3.1Å; R418-R421 WeakPolarHBondContact O-CB 3.49Å; R418-R421 PolarHBondContact O-N 2.98Å
419S38.5Very low39.8Very low88 Ų88102.6 Ų102.662%0.61553%0.527SS*.Hα-helixtrans-66.7-22.2174.5-169.80000112.4Q415 S416 R421Q415-S419 WeakPolarHBondContact O-CB 3.35Å; Q415-S419 PolarHBondContact O-N 2.89Å; S416-S419 WeakPolarHBondContact O-CB 3.49Å; S416-S419 PolarHBondContact O-N 3.29Å; S419-R421 PolarHBondContact O-N 3.35Å
420F40.5Very low40Very low74 Ų74104.4 Ų104.433%0.32553%0.525SS..THydrogen-bonded Turntrans-79.73.5170.2-65.8-73.6000114S157 S416 R418S157-F420 WeakPolarHBondContact OG-CD1 3.4Å; S416-F420 WeakPolarHBondContact O-CD2 3.44Å; S416-F420 VanDerWaalsContact O-CE2 3.29Å; S416-F420 WeakPolarHBondContact O-CE2 3.48Å; S416-F420 PolarHBondContact O-N 2.79Å; R418-F420 PolarHBondContact O-N 3.1Å
421R32.1Very low39.8Very low217 Ų217103.3 Ų103.382%0.81952%0.519SS*.THydrogen-bonded Turntrans-109.512.6-178.6-147.2-175.7177.5-172.4-3.3113.7R418 S419R418-R421 WeakPolarHBondContact O-CB 3.49Å; R418-R421 PolarHBondContact O-N 2.98Å; S419-R421 PolarHBondContact O-N 3.35Å
422N29.3Very low39.7Very low218 Ų218107.4 Ų107.4100%1.16653%0.529SS*.  trans-119.10171.9-71.5-10.1000110.9

Retrieved 422 of 422 residues in 849.5 ms (Link to these results)

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