A0A2K6DGG9_MACNE Loading...

Glycerophosphodiester phosphodiesterase domain containing 5

AlphaFold DB , UniProt , Accession A0A2K6DGG9, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene GDPD5, Length 610 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
1M35.8Very low44.1Very low242 Ų242174.8 Ų174.8100%1.19282%0.823SS**  0108.30-84.6176.4165.100109R3M1-R3 PolarHBondContact O-N 3.33Å
2V37.8Very low45.8Very low131 Ų131168.7 Ų168.779%0.79481%0.809SS**  trans-78.4115.1167177.80000106.8H4V2-H4 PolarHBondContact O-N 2.95Å
3R35.3Very low48.1Very low237 Ų237164.8 Ų164.889%0.89479%0.79SS**  trans-71107.8168.4-83.3-176.6171.9174.6-2.3107.4M1 Q5M1-R3 PolarHBondContact O-N 3.33Å; R3-Q5 PolarHBondContact O-N 3.11Å
4H43.3Very low50.4Low175 Ų175161.7 Ų161.781%0.8178%0.779SS**PPolyproline II helixtrans-56.2121.5163.3-75.5-77.8000108.2V2V2-H4 PolarHBondContact O-N 2.95Å
5Q40.8Very low52.5Low178 Ų178158.3 Ų158.383%0.83278%0.777SS**PPolyproline II helixtrans-56.8140.8164.8-76.1176.2-34.100108.2R3 L7R3-Q5 PolarHBondContact O-N 3.11Å; Q5-L7 PolarHBondContact O-N 3.07Å
6P43.8Very low54.4Low119 Ų119150 Ų15077%0.77374%0.736SS**PPolyproline II helixtrans-59.8125.4173.425.6-32.7000108.5Q8P6-Q8 PolarHBondContact O-N 3.14Å
7L48Very low56.1Low172 Ų172142.8 Ų142.890%0.90170%0.704SS**  trans-53113.6169-81.3161.6000107.8Q5 Y9Q5-L7 PolarHBondContact O-N 3.07Å; L7-Y9 PolarHBondContact O-N 3.35Å
8Q46.6Very low57.7Low141 Ų141138.3 Ų138.366%0.65969%0.688SS**  trans-60.4108.6178.8-75.3169.2-52.600108.7P6 Y10P6-Q8 PolarHBondContact O-N 3.14Å; Q8-Y10 VanDerWaalsContact C-N 3.31Å; Q8-Y10 HydrophobicContact CB-CD2 3.91Å; Q8-Y10 HydrophobicContact CB-CE1 4.49Å; Q8-Y10 HydrophobicContact CB-CE2 3.48Å; Q8-Y10 VanDerWaalsContact CB-CE2 3.48Å; Q8-Y10 HydrophobicContact CG-CE2 4.44Å; Q8-Y10 VanDerWaalsContact O-CD2 3.24Å; Q8-Y10 WeakPolarHBondContact O-CD2 3.44Å; Q8-Y10 PolarHBondContact O-N 2.99Å; Q8-Y10 PolarHBondContact OE1-OH 3.32Å
9Y41.8Very low59.3Low226 Ų226131.9 Ų131.989%0.88666%0.657SS**  trans-73.789.4176.8-156.3-87.8000108.3L7L7-Y9 PolarHBondContact O-N 3.35Å
10Y55.6Low60.6Low129 Ų129125.5 Ų125.551%0.50663%0.625SS.*  trans-80.7121.7-179.1-75.3-70.6000110.6Q8 R29Q8-Y10 VanDerWaalsContact C-N 3.31Å; Q8-Y10 HydrophobicContact CB-CD2 3.91Å; Q8-Y10 HydrophobicContact CB-CE1 4.49Å; Q8-Y10 HydrophobicContact CB-CE2 3.48Å; Q8-Y10 VanDerWaalsContact CB-CE2 3.48Å; Q8-Y10 HydrophobicContact CG-CE2 4.44Å; Q8-Y10 VanDerWaalsContact O-CD2 3.24Å; Q8-Y10 WeakPolarHBondContact O-CD2 3.44Å; Q8-Y10 PolarHBondContact O-N 2.99Å; Q8-Y10 PolarHBondContact OE1-OH 3.32Å; Y10-R29 VanDerWaalsContact CD1-NH1 3.28Å
11E56.4Low61.8Low173 Ų173119.5 Ų119.581%0.80860%0.595SS**  trans-58.2131.7170.8-69.4-172.5144.300110.9Q13E11-Q13 PolarHBondContact O-N 2.96Å
12P64.7Low64.4Low101 Ų101112 Ų11266%0.65656%0.559SS**  trans-71.9105.7-179.828.7-33.9000110.3L14P12-L14 HydrophobicContact CB-CG 4.24Å; P12-L14 PolarHBondContact O-N 3.06Å
13Q75.7Confident66.9Low119 Ų119105.8 Ų105.856%0.55652%0.521SS*.  trans-71.469.6172.6-65.8179.8-20.600111.4E11 L16 S17E11-Q13 PolarHBondContact O-N 2.96Å; Q13-L16 HydrophobicContact CB-CB 4.18Å; Q13-L16 PolarHBondContact O-N 3.12Å; Q13-S17 PolarHBondContact O-N 3.1Å
14L80.4Confident69.4Low121 Ų12194.8 Ų94.863%0.63448%0.482SS*.Hα-helixtrans-60.8-47-175.3-71165.4000112.1P12 L16 S17 C18P12-L14 HydrophobicContact CB-CG 4.24Å; P12-L14 PolarHBondContact O-N 3.06Å; L14-L16 PolarHBondContact O-N 3.08Å; L14-S17 WeakPolarHBondContact O-CA 3.43Å; L14-S17 WeakPolarHBondContact O-CB 3.34Å; L14-S17 PolarHBondContact O-N 3.14Å; L14-C18 PolarHBondContact O-N 2.87Å; L14-C18 PolarHBondContact O-SG 3.19Å; L14-C18 VanDerWaalsContact O-SG 3.41Å
15C82.1Confident71.5Confident111 Ų11188.8 Ų88.875%0.7546%0.459SS*.Hα-helixtrans-57.7-47.3178.4-179.80000112.1S17 C18 L19C15-S17 VanDerWaalsContact C-N 3.29Å; C15-S17 PolarHBondContact O-N 3.41Å; C15-C18 PolarHBondContact O-N 3.45Å; C15-L19 PolarHBondContact O-N 3.3Å
16L82.1Confident73.6Confident25 Ų2582.7 Ų82.713%0.13143%0.428CS..Hα-helixtrans-63.4-36.9176-177.865.7000111.6Q13 L14 C18 L19 T20 V114 Q116Q13-L16 HydrophobicContact CB-CB 4.18Å; Q13-L16 PolarHBondContact O-N 3.12Å; L14-L16 PolarHBondContact O-N 3.08Å; L16-C18 VanDerWaalsContact C-N 3.35Å; L16-C18 PolarHBondContact O-N 3.01Å; L16-L19 HydrophobicContact CD1-CD2 4.45Å; L16-L19 PolarHBondContact O-N 2.93Å; L16-T20 HydrophobicContact CD1-CG2 4.04Å; L16-T20 HydrophobicContact CG-CG2 4.4Å; L16-T20 PolarHBondContact O-N 2.92Å; L16-T20 PolarHBondContact O-OG1 3.24Å; L16-T20 VanDerWaalsContact O-OG1 3.09Å; L16-V114 HydrophobicContact CD1-CG1 4.02Å; L16-Q116 HydrophobicContact CD1-CG 3.73Å
17S83.5Confident75.6Confident27 Ų2783.1 Ų83.119%0.18941%0.414CS..Hα-helixtrans-60.2-42175-157.60000113Q13 L14 C15 G21 W27 R32Q13-S17 PolarHBondContact O-N 3.1Å; L14-S17 WeakPolarHBondContact O-CA 3.43Å; L14-S17 WeakPolarHBondContact O-CB 3.34Å; L14-S17 PolarHBondContact O-N 3.14Å; C15-S17 VanDerWaalsContact C-N 3.29Å; C15-S17 PolarHBondContact O-N 3.41Å; S17-G21 WeakPolarHBondContact O-CA 3.47Å; S17-G21 PolarHBondContact O-N 2.89Å; S17-W27 PolarHBondContact OG-O 3.24Å; S17-R32 VanDerWaalsContact CA-NH2 3.31Å; S17-R32 PolarHBondContact OG-NH2 2.91Å
18C85.9Confident77.1Confident62 Ų6280.8 Ų80.842%0.41940%0.397SS..Hα-helixtrans-69.3-43175.7-63.40000111L14 C15 L16 G21 I22L14-C18 PolarHBondContact O-N 2.87Å; L14-C18 PolarHBondContact O-SG 3.19Å; L14-C18 VanDerWaalsContact O-SG 3.41Å; C15-C18 PolarHBondContact O-N 3.45Å; L16-C18 VanDerWaalsContact C-N 3.35Å; L16-C18 PolarHBondContact O-N 3.01Å; C18-G21 PolarHBondContact O-N 2.87Å; C18-I22 HydrophobicContact CB-CD1 4.39Å; C18-I22 WeakPolarHBondContact O-CB 3.37Å; C18-I22 VanDerWaalsContact O-CG1 3.25Å; C18-I22 WeakPolarHBondContact O-CG1 3.46Å; C18-I22 PolarHBondContact O-N 3.39Å
19L86.7Confident78.3Confident17 Ų1780.7 Ų80.79%0.08939%0.391CS..Hα-helixtrans-60.7-47.1178.9178.960.9000112.8C15 L16 Y23 L107 C110 H111 V114C15-L19 PolarHBondContact O-N 3.3Å; L16-L19 HydrophobicContact CD1-CD2 4.45Å; L16-L19 PolarHBondContact O-N 2.93Å; L19-Y23 WeakPolarHBondContact O-CB 3.35Å; L19-Y23 PolarHBondContact O-N 2.9Å; L19-L107 HydrophobicContact CD1-CB 4.44Å; L19-L107 HydrophobicContact CD1-CD2 3.75Å; L19-C110 HydrophobicContact CD1-CB 3.55Å; L19-C110 HydrophobicContact CD2-CB 3.99Å; L19-C110 HydrophobicContact CG-CB 4.45Å; L19-H111 PolarHBondContact O-NE2 2.91Å; L19-V114 HydrophobicContact CD2-CG2 4.18Å
20T85.1Confident79.5Confident3 Ų378.2 Ų78.22%0.01838%0.381CS..Hα-helixtrans-77.2-28.8178.162.20000112.5L16 G24 C25 R26 R32 Q116L16-T20 HydrophobicContact CD1-CG2 4.04Å; L16-T20 HydrophobicContact CG-CG2 4.4Å; L16-T20 PolarHBondContact O-N 2.92Å; L16-T20 PolarHBondContact O-OG1 3.24Å; L16-T20 VanDerWaalsContact O-OG1 3.09Å; T20-G24 PolarHBondContact O-N 3.04Å; T20-C25 PolarHBondContact O-N 3.14Å; T20-R26 WeakPolarHBondContact CB-O 3.49Å; T20-R26 PolarHBondContact O-N 3.2Å; T20-R26 PolarHBondContact OG1-O 2.67Å; T20-R32 HydrophobicContact CG2-CG 4.14Å; T20-R32 PolarHBondContact OG1-NE 3.41Å; T20-Q116 HydrophobicContact CG2-CG 4.49Å
21G86.4Confident80.2Confident0 Ų075.5 Ų75.50%037%0.373CS..Hα-helixtrans-68.4-52.7175.700000113.6S17 C18 C25 W27S17-G21 WeakPolarHBondContact O-CA 3.47Å; S17-G21 PolarHBondContact O-N 2.89Å; C18-G21 PolarHBondContact O-N 2.87Å; G21-C25 WeakPolarHBondContact O-CA 3.49Å; G21-C25 PolarHBondContact O-N 3.15Å; G21-W27 VanDerWaalsContact C-CZ2 3.48Å; G21-W27 VanDerWaalsContact CA-CD2 3.44Å; G21-W27 WeakPolarHBondContact O-CZ2 3.33Å
22I90Very high81Confident85 Ų8569.1 Ų69.144%0.43634%0.341SS..Hα-helixtrans-69-42.4-176.5-61.9165.8000110.9C18 W27 L107 H124C18-I22 HydrophobicContact CB-CD1 4.39Å; C18-I22 WeakPolarHBondContact O-CB 3.37Å; C18-I22 VanDerWaalsContact O-CG1 3.25Å; C18-I22 WeakPolarHBondContact O-CG1 3.46Å; C18-I22 PolarHBondContact O-N 3.39Å; I22-W27 HydrophobicContact CG1-CH2 3.88Å; I22-W27 HydrophobicContact CG1-CZ3 4.49Å; I22-L107 HydrophobicContact CB-CD1 4.3Å; I22-L107 HydrophobicContact CG2-CD1 3.6Å; I22-H124 PolarHBondContact O-NE2 3.27Å
23Y90.9Very high81Confident1 Ų165.2 Ų65.20%0.00432%0.317CS..Hα-helixtrans-79-34.3-176-171.2-100.1000114.3L19 L104 L107 A108 H111 M118 L120 H121 H124L19-Y23 WeakPolarHBondContact O-CB 3.35Å; L19-Y23 PolarHBondContact O-N 2.9Å; Y23-L104 HydrophobicContact CD2-CD2 4.32Å; Y23-L104 WeakPolarHBondContact CE2-O 3.46Å; Y23-L107 HydrophobicContact CD2-CB 3.72Å; Y23-L107 HydrophobicContact CE2-CB 4.49Å; Y23-L107 HydrophobicContact CG-CB 4.4Å; Y23-A108 HydrophobicContact CE2-CB 3.76Å; Y23-H111 WeakPolarHBondContact CB-NE2 3.5Å; Y23-H111 AromaticContact CD1-CD2 3.97Å; Y23-H111 AromaticContact CD1-NE2 3.74Å; Y23-H111 AromaticContact CG-CD2 3.97Å; Y23-H111 AromaticContact CG-NE2 3.77Å; Y23-M118 HydrophobicContact CE1-CB 4.32Å; Y23-L120 HydrophobicContact CD2-CD1 4.01Å; Y23-L120 HydrophobicContact CE1-CB 3.95Å; Y23-L120 HydrophobicContact CE1-CD1 4.18Å; Y23-L120 HydrophobicContact CE2-CD1 3.55Å; Y23-H121 PolarHBondContact O-N 3Å; Y23-H124 PolarHBondContact O-CD2 3.35Å
24G87.4Confident80.4Confident6 Ų666.6 Ų66.66%0.06232%0.323CS..Hα-helixtrans-132.13.5-168.100000115.8T20 R26 N119T20-G24 PolarHBondContact O-N 3.04Å; G24-R26 PolarHBondContact O-N 3.43Å; G24-N119 WeakPolarHBondContact CA-O 3.03Å
25C88.3Confident79.7Confident48 Ų4866.5 Ų66.532%0.32432%0.323SS..SBendtrans55.721.7-169.8-59.90000114.7T20 G21 W27 H121T20-C25 PolarHBondContact O-N 3.14Å; G21-C25 WeakPolarHBondContact O-CA 3.49Å; G21-C25 PolarHBondContact O-N 3.15Å; C25-W27 PolarHBondContact O-N 3.31Å; C25-H121 VanDerWaalsContact SG-CG 3.56Å
26R85.3Confident79.1Confident51 Ų5167.9 Ų67.919%0.19232%0.323CS..  trans-93.266.7-179.5-69.8171.7166.2-169.6-1.7110.9T20 G24 Q31 N119T20-R26 WeakPolarHBondContact CB-O 3.49Å; T20-R26 PolarHBondContact O-N 3.2Å; T20-R26 PolarHBondContact OG1-O 2.67Å; G24-R26 PolarHBondContact O-N 3.43Å; R26-Q31 HydrophobicContact CB-CB 4.02Å; R26-Q31 WeakPolarHBondContact CD-O 3.32Å; R26-Q31 HydrophobicContact CG-CB 4.08Å; R26-Q31 WeakPolarHBondContact CG-O 3.36Å; R26-Q31 PolarHBondContact NE-O 3.33Å; R26-N119 PolarHBondContact NE-ND2 3.15Å; R26-N119 VanDerWaalsContact NE-ND2 3.19Å; R26-N119 PolarHBondContact NH2-ND2 3.01Å
27W84Confident79Confident127 Ų12767.9 Ų67.948%0.48132%0.324SS..  trans-68.9-42.8-177.3-57.797.2000112.6S17 G21 I22 C25 R32S17-W27 PolarHBondContact OG-O 3.24Å; G21-W27 VanDerWaalsContact C-CZ2 3.48Å; G21-W27 VanDerWaalsContact CA-CD2 3.44Å; G21-W27 WeakPolarHBondContact O-CZ2 3.33Å; I22-W27 HydrophobicContact CG1-CH2 3.88Å; I22-W27 HydrophobicContact CG1-CZ3 4.49Å; C25-W27 PolarHBondContact O-N 3.31Å; W27-R32 PolarHBondContact O-NH2 2.99Å
28K80.2Confident79.1Confident124 Ų12469.3 Ų69.354%0.53933%0.331SS..SBendtrans-85.2145-173.5-57.6-176.1-174.6177.20111.6Y30 Q31K28-Y30 VanDerWaalsContact C-N 3.31Å; K28-Y30 HydrophobicContact CB-CD1 3.89Å; K28-Y30 HydrophobicContact CB-CE1 3.58Å; K28-Y30 HydrophobicContact CD-CE1 3.47Å; K28-Y30 VanDerWaalsContact CD-CE1 3.47Å; K28-Y30 WeakPolarHBondContact CD-OH 3.37Å; K28-Y30 HydrophobicContact CG-CE1 4.17Å; K28-Y30 PolarHBondContact O-N 2.87Å; K28-Q31 HydrophobicContact CB-CG 4.27Å; K28-Q31 WeakPolarHBondContact O-CB 3.45Å; K28-Q31 PolarHBondContact O-N 3.35Å
29R71.6Confident79.2Confident139 Ų13971.6 Ų71.653%0.52535%0.345SS..G310 helixtrans-53.6-41.3-175.3-174.1178177.5-173.6-1.5113.6Y10 Q31 R32Y10-R29 VanDerWaalsContact CD1-NH1 3.28Å; R29-Q31 PolarHBondContact O-N 3.15Å; R29-R32 WeakPolarHBondContact O-CB 3.36Å; R29-R32 PolarHBondContact O-N 2.76Å; R29-R32 VanDerWaalsContact O-N 3.1Å
30Y67.6Low79.2Confident173 Ų17379.1 Ų79.168%0.67837%0.373SS*.G310 helixtrans-68.3-13.2179.669.9-99.2000114.5K28K28-Y30 VanDerWaalsContact C-N 3.31Å; K28-Y30 HydrophobicContact CB-CD1 3.89Å; K28-Y30 HydrophobicContact CB-CE1 3.58Å; K28-Y30 HydrophobicContact CD-CE1 3.47Å; K28-Y30 VanDerWaalsContact CD-CE1 3.47Å; K28-Y30 WeakPolarHBondContact CD-OH 3.37Å; K28-Y30 HydrophobicContact CG-CE1 4.17Å; K28-Y30 PolarHBondContact O-N 2.87Å
31Q69.3Low79.4Confident72 Ų7279.6 Ų79.634%0.33638%0.375SS..G310 helixtrans-90.1-8.8175.5-54.9175.6-6200112R26 K28 R29R26-Q31 HydrophobicContact CB-CB 4.02Å; R26-Q31 WeakPolarHBondContact CD-O 3.32Å; R26-Q31 HydrophobicContact CG-CB 4.08Å; R26-Q31 WeakPolarHBondContact CG-O 3.36Å; R26-Q31 PolarHBondContact NE-O 3.33Å; K28-Q31 HydrophobicContact CB-CG 4.27Å; K28-Q31 WeakPolarHBondContact O-CB 3.45Å; K28-Q31 PolarHBondContact O-N 3.35Å; R29-Q31 PolarHBondContact O-N 3.15Å
32R73.1Confident79.6Confident40 Ų4086.1 Ų86.115%0.15140%0.399CS..  trans-87.5123.2179.6-53.4179.9-162.4159.78.3108S17 T20 W27 R29S17-R32 VanDerWaalsContact CA-NH2 3.31Å; S17-R32 PolarHBondContact OG-NH2 2.91Å; T20-R32 HydrophobicContact CG2-CG 4.14Å; T20-R32 PolarHBondContact OG1-NE 3.41Å; W27-R32 PolarHBondContact O-NH2 2.99Å; R29-R32 WeakPolarHBondContact O-CB 3.36Å; R29-R32 PolarHBondContact O-N 2.76Å; R29-R32 VanDerWaalsContact O-N 3.1Å
33S66Low79.8Confident19 Ų1986.4 Ų86.413%0.13340%0.401CS..  trans-106139.9175.1165.70000109.7D35S33-D35 WeakPolarHBondContact OG-CB 3.48Å; S33-D35 PolarHBondContact OG-N 3.04Å; S33-D35 PolarHBondContact OG-OD2 3.05Å
34H62.6Low80Confident148 Ų14889 Ų8969%0.68541%0.411SS*.  trans-96.58168.3-78.1-87.9000112Q116H34-Q116 PolarHBondContact CE1-NE2 2.77Å; H34-Q116 PolarHBondContact ND1-NE2 3.03Å
35D66.1Low80.3Confident118 Ų11890.7 Ų90.763%0.63142%0.417SS*.SBendtrans-66.5154.6177.9-53.6-44.5000111S33 T37S33-D35 WeakPolarHBondContact OG-CB 3.48Å; S33-D35 PolarHBondContact OG-N 3.04Å; S33-D35 PolarHBondContact OG-OD2 3.05Å; D35-T37 PolarHBondContact O-N 2.82Å
36D69.4Low80.6Confident141 Ų14193.6 Ų93.675%0.75443%0.429SS*.PPolyproline II helixtrans-56.3137.3177.9-85.6-35.8000112.3T38D36-T38 PolarHBondContact O-N 3.31Å
37T79.6Confident81.2Confident25 Ų2593.7 Ų93.715%0.15343%0.432CS..PPolyproline II helixtrans-64.1121.8176.5-59.10000110.1D35 E41 R42 M118D35-T37 PolarHBondContact O-N 2.82Å; T37-E41 HydrophobicContact CG2-CB 3.47Å; T37-E41 VanDerWaalsContact CG2-CB 3.47Å; T37-R42 HydrophobicContact CG2-CG 4.18Å; T37-R42 PolarHBondContact O-NE 3.45Å; T37-R42 PolarHBondContact O-NH2 3.18Å; T37-M118 HydrophobicContact CG2-CB 3.89Å; T37-M118 HydrophobicContact CG2-CE 3.83Å; T37-M118 HydrophobicContact CG2-CG 4.3Å; T37-M118 PolarHBondContact OG1-N 2.69Å
38T85.5Confident81.8Confident56 Ų5687.6 Ų87.634%0.34441%0.41SS..PPolyproline II helixtrans-66.4157.5-172.962.60000112.1D36 W40 E41 R42D36-T38 PolarHBondContact O-N 3.31Å; T38-W40 PolarHBondContact O-N 3.25Å; T38-E41 WeakPolarHBondContact CB-OE2 3.48Å; T38-E41 WeakPolarHBondContact CG2-OE2 3.49Å; T38-E41 PolarHBondContact N-OE2 2.8Å; T38-E41 PolarHBondContact O-N 3.35Å; T38-E41 VanDerWaalsContact O-N 3.12Å; T38-E41 VanDerWaalsContact OG1-CD 3.26Å; T38-E41 VanDerWaalsContact OG1-CG 3.25Å; T38-E41 WeakPolarHBondContact OG1-CG 3.31Å; T38-E41 PolarHBondContact OG1-N 2.97Å; T38-E41 PolarHBondContact OG1-OE2 2.9Å; T38-R42 WeakPolarHBondContact O-CG 3.38Å; T38-R42 PolarHBondContact O-N 3.12Å
39P87.3Confident82.6Confident110 Ų11084.4 Ų84.471%0.71440%0.4SS*.Hα-helixtrans-55.1-35.2174.2-26.635.6000113.3R42 L43P39-R42 PolarHBondContact O-N 2.75Å; P39-L43 PolarHBondContact O-N 3.05Å; P39-L43 VanDerWaalsContact O-N 3.07Å
40W87.8Confident83.8Confident176 Ų17683.7 Ų83.767%0.66740%0.401SS*.Hα-helixtrans-65.5-44.6175.6-103.4131.2000112.7T38 R42 L43 W44T38-W40 PolarHBondContact O-N 3.25Å; W40-R42 VanDerWaalsContact C-N 3.3Å; W40-R42 PolarHBondContact O-N 3.34Å; W40-L43 HydrophobicContact CE3-CB 4.23Å; W40-L43 HydrophobicContact CE3-CD2 3.94Å; W40-L43 HydrophobicContact CE3-CG 4.36Å; W40-L43 HydrophobicContact CH2-CD2 4.12Å; W40-L43 HydrophobicContact CZ3-CB 4.48Å; W40-L43 HydrophobicContact CZ3-CD2 3.45Å; W40-L43 VanDerWaalsContact CZ3-CD2 3.45Å; W40-L43 HydrophobicContact CZ3-CG 4.09Å; W40-L43 PolarHBondContact O-N 2.78Å; W40-W44 PolarHBondContact O-N 3.22Å
41E89.8Confident85.2Confident13 Ų1375.4 Ų75.46%0.06137%0.369CS..Hα-helixtrans-65.2-34.6177.1-71.2163.4135.100112T37 T38 W44 F45 Q117 N119T37-E41 HydrophobicContact CG2-CB 3.47Å; T37-E41 VanDerWaalsContact CG2-CB 3.47Å; T38-E41 WeakPolarHBondContact CB-OE2 3.48Å; T38-E41 WeakPolarHBondContact CG2-OE2 3.49Å; T38-E41 PolarHBondContact N-OE2 2.8Å; T38-E41 PolarHBondContact O-N 3.35Å; T38-E41 VanDerWaalsContact O-N 3.12Å; T38-E41 VanDerWaalsContact OG1-CD 3.26Å; T38-E41 VanDerWaalsContact OG1-CG 3.25Å; T38-E41 WeakPolarHBondContact OG1-CG 3.31Å; T38-E41 PolarHBondContact OG1-N 2.97Å; T38-E41 PolarHBondContact OG1-OE2 2.9Å; E41-W44 PolarHBondContact O-N 3.41Å; E41-F45 PolarHBondContact O-N 3.21Å; E41-Q117 VanDerWaalsContact CD-NE2 3.33Å; E41-Q117 VanDerWaalsContact OE1-CD 3.27Å; E41-Q117 WeakPolarHBondContact OE1-CG 3.46Å; E41-Q117 PolarHBondContact OE1-NE2 3.25Å; E41-Q117 PolarHBondContact OE2-NE2 2.67Å; E41-N119 WeakPolarHBondContact OE1-CA 3.43Å; E41-N119 VanDerWaalsContact OE1-CB 3.25Å; E41-N119 WeakPolarHBondContact OE1-CB 3.5Å; E41-N119 PolarHBondContact OE1-N 3.34Å
42R90Very high86.6Confident136 Ų13674.5 Ų74.551%0.51336%0.364SS..Hα-helixtrans-63.4-40.7172-63.4173.8-159.3-1570.3111.9T37 T38 P39 W40 F45 L46T37-R42 HydrophobicContact CG2-CG 4.18Å; T37-R42 PolarHBondContact O-NE 3.45Å; T37-R42 PolarHBondContact O-NH2 3.18Å; T38-R42 WeakPolarHBondContact O-CG 3.38Å; T38-R42 PolarHBondContact O-N 3.12Å; P39-R42 PolarHBondContact O-N 2.75Å; W40-R42 VanDerWaalsContact C-N 3.3Å; W40-R42 PolarHBondContact O-N 3.34Å; R42-F45 WeakPolarHBondContact O-CB 3.34Å; R42-F45 PolarHBondContact O-N 2.81Å; R42-L46 WeakPolarHBondContact O-CG 3.31Å; R42-L46 PolarHBondContact O-N 2.77Å
43L93.4Very high87.7Confident91 Ų9174.1 Ų74.148%0.47637%0.372SS..Hα-helixtrans-66-38175.8-178.950.8000111.9P39 W40 F45 L46 L47P39-L43 PolarHBondContact O-N 3.05Å; P39-L43 VanDerWaalsContact O-N 3.07Å; W40-L43 HydrophobicContact CE3-CB 4.23Å; W40-L43 HydrophobicContact CE3-CD2 3.94Å; W40-L43 HydrophobicContact CE3-CG 4.36Å; W40-L43 HydrophobicContact CH2-CD2 4.12Å; W40-L43 HydrophobicContact CZ3-CB 4.48Å; W40-L43 HydrophobicContact CZ3-CD2 3.45Å; W40-L43 VanDerWaalsContact CZ3-CD2 3.45Å; W40-L43 HydrophobicContact CZ3-CG 4.09Å; W40-L43 PolarHBondContact O-N 2.78Å; L43-F45 VanDerWaalsContact C-N 3.34Å; L43-F45 PolarHBondContact O-N 2.85Å; L43-L46 PolarHBondContact O-N 2.94Å; L43-L47 PolarHBondContact O-N 3.5Å
44W95.1Very high89.1Confident56 Ų5674.7 Ų74.721%0.21237%0.374CS..Hα-helixtrans-63.8-36.5171-78.5106000113.1W40 E41 L47 L48 K125 L128 V129W40-W44 PolarHBondContact O-N 3.22Å; E41-W44 PolarHBondContact O-N 3.41Å; W44-L47 HydrophobicContact CE3-CD2 3.88Å; W44-L47 HydrophobicContact CH2-CD2 4.49Å; W44-L47 HydrophobicContact CZ3-CD2 3.66Å; W44-L47 PolarHBondContact O-N 3.22Å; W44-L48 WeakPolarHBondContact O-CB 3.48Å; W44-L48 PolarHBondContact O-N 3.05Å; W44-K125 HydrophobicContact CD2-CD 4.1Å; W44-K125 HydrophobicContact CD2-CG 3.84Å; W44-K125 HydrophobicContact CE3-CB 4.27Å; W44-K125 HydrophobicContact CE3-CG 3.85Å; W44-K125 HydrophobicContact CG-CG 4.48Å; W44-K125 HydrophobicContact CH2-CB 3.79Å; W44-K125 HydrophobicContact CH2-CG 4.08Å; W44-K125 HydrophobicContact CZ2-CB 4.13Å; W44-K125 HydrophobicContact CZ2-CD 4.03Å; W44-K125 HydrophobicContact CZ2-CG 4.07Å; W44-K125 HydrophobicContact CZ3-CB 3.86Å; W44-K125 HydrophobicContact CZ3-CG 3.96Å; W44-L128 HydrophobicContact CE3-CD2 3.83Å; W44-L128 HydrophobicContact CZ3-CD2 4.06Å; W44-V129 HydrophobicContact CH2-CG2 3.86Å; W44-V129 HydrophobicContact CZ3-CG2 3.91Å
45F94.5Very high90.8Very high41 Ų4167.7 Ų67.718%0.1834%0.342CS..Hα-helixtrans-66.8-39.7173.2177.3-99.2000112.8E41 R42 L43 L48 T49 L105 A108 L109 I112 M118E41-F45 PolarHBondContact O-N 3.21Å; R42-F45 WeakPolarHBondContact O-CB 3.34Å; R42-F45 PolarHBondContact O-N 2.81Å; L43-F45 VanDerWaalsContact C-N 3.34Å; L43-F45 PolarHBondContact O-N 2.85Å; F45-L48 PolarHBondContact O-N 3.43Å; F45-T49 WeakPolarHBondContact O-CB 3.2Å; F45-T49 PolarHBondContact O-N 3.45Å; F45-T49 PolarHBondContact O-OG1 3.19Å; F45-L105 HydrophobicContact CE2-CD1 3.87Å; F45-L105 HydrophobicContact CZ-CD1 4.3Å; F45-A108 HydrophobicContact CD2-CB 3.75Å; F45-A108 HydrophobicContact CE2-CB 3.79Å; F45-L109 HydrophobicContact CZ-CD2 4.39Å; F45-I112 HydrophobicContact CE1-CD1 4.41Å; F45-I112 HydrophobicContact CE2-CD1 3.93Å; F45-I112 HydrophobicContact CZ-CD1 3.86Å; F45-M118 HydrophobicContact CB-CE 3.84Å; F45-M118 HydrophobicContact CB-SD 4.28Å; F45-M118 HydrophobicContact CD1-CE 4.4Å; F45-M118 HydrophobicContact CD2-CE 4.23Å; F45-M118 HydrophobicContact CD2-SD 3.74Å; F45-M118 HydrophobicContact CE2-SD 4.31Å; F45-M118 HydrophobicContact CG-CE 3.89Å; F45-M118 HydrophobicContact CG-SD 4.04Å
46L94.7Very high92.2Very high110 Ų11065.7 Ų65.758%0.57633%0.33SS*.Hα-helixtrans-62.9-44.1173.1-70.2173.5000111.4R42 L43 L48 T49 F50R42-L46 WeakPolarHBondContact O-CG 3.31Å; R42-L46 PolarHBondContact O-N 2.77Å; L43-L46 PolarHBondContact O-N 2.94Å; L46-L48 VanDerWaalsContact C-N 3.35Å; L46-L48 PolarHBondContact O-N 3.24Å; L46-T49 PolarHBondContact O-N 3.16Å; L46-F50 WeakPolarHBondContact O-CB 3.42Å; L46-F50 PolarHBondContact O-N 2.83Å
47L96.8Very high93.4Very high52 Ų5261.8 Ų61.827%0.27231%0.312SS..Hα-helixtrans-63-40.6176.4-169.568.5000112.2L43 W44 F50 T51 L128 L132L43-L47 PolarHBondContact O-N 3.5Å; W44-L47 HydrophobicContact CE3-CD2 3.88Å; W44-L47 HydrophobicContact CH2-CD2 4.49Å; W44-L47 HydrophobicContact CZ3-CD2 3.66Å; W44-L47 PolarHBondContact O-N 3.22Å; L47-F50 PolarHBondContact O-N 2.62Å; L47-T51 WeakPolarHBondContact O-CB 3.35Å; L47-T51 PolarHBondContact O-N 2.83Å; L47-T51 PolarHBondContact O-OG1 3.26Å; L47-L128 HydrophobicContact CB-CD2 4.46Å; L47-L128 HydrophobicContact CD2-CD2 4.17Å; L47-L128 HydrophobicContact CD2-CG 4.43Å; L47-L128 HydrophobicContact CG-CD2 4.31Å; L47-L132 HydrophobicContact CD1-CD2 3.54Å; L47-L132 HydrophobicContact CG-CD2 4.19Å
48L97.4Very high94.2Very high0 Ų061 Ų610%031%0.306CS..Hα-helixtrans-61.7-44.3174.117862.4000111.6W44 F45 L46 T51 F52 I101 L104 L105 A108 L128W44-L48 WeakPolarHBondContact O-CB 3.48Å; W44-L48 PolarHBondContact O-N 3.05Å; F45-L48 PolarHBondContact O-N 3.43Å; L46-L48 VanDerWaalsContact C-N 3.35Å; L46-L48 PolarHBondContact O-N 3.24Å; L48-T51 PolarHBondContact O-N 3.39Å; L48-F52 WeakPolarHBondContact O-CB 3.36Å; L48-F52 PolarHBondContact O-N 3.19Å; L48-I101 HydrophobicContact CD1-CD1 4.3Å; L48-I101 HydrophobicContact CD1-CG2 4.1Å; L48-L104 HydrophobicContact CD1-CB 3.86Å; L48-L104 HydrophobicContact CD1-CD1 4.46Å; L48-L104 HydrophobicContact CD2-CB 4.14Å; L48-L105 HydrophobicContact CD2-CB 4.49Å; L48-L105 HydrophobicContact CG-CB 4.44Å; L48-L105 HydrophobicContact CG-CD1 4.47Å; L48-A108 HydrophobicContact CD2-CB 4.24Å; L48-L128 HydrophobicContact CB-CD1 4.49Å; L48-L128 HydrophobicContact CB-CD2 4.1Å; L48-L128 HydrophobicContact CD1-CD1 4.01Å
49T96Very high94.7Very high56 Ų5660 Ų6034%0.34430%0.298SS..Hα-helixtrans-65.7-41178-53.40000111.7F45 L46 F52 G53F45-T49 WeakPolarHBondContact O-CB 3.2Å; F45-T49 PolarHBondContact O-N 3.45Å; F45-T49 PolarHBondContact O-OG1 3.19Å; L46-T49 PolarHBondContact O-N 3.16Å; T49-F52 WeakPolarHBondContact O-CB 3.43Å; T49-F52 PolarHBondContact O-N 2.88Å; T49-G53 PolarHBondContact O-N 2.96Å; T49-G53 VanDerWaalsContact O-N 3.09Å
50F97.4Very high95Very high124 Ų12456.8 Ų56.854%0.54427%0.272SS..Hα-helixtrans-63.6-45.5174.1178.4-103.6000112L46 L47 F52 G53 L54 L132L46-F50 WeakPolarHBondContact O-CB 3.42Å; L46-F50 PolarHBondContact O-N 2.83Å; L47-F50 PolarHBondContact O-N 2.62Å; F50-F52 VanDerWaalsContact C-N 3.3Å; F50-F52 PolarHBondContact O-N 3.08Å; F50-G53 PolarHBondContact O-N 3.05Å; F50-L54 PolarHBondContact O-N 2.81Å; F50-L132 HydrophobicContact CD1-CD1 4.06Å; F50-L132 HydrophobicContact CE1-CD1 3.93Å
51T97.9Very high95.3Very high0 Ų048.5 Ų48.50%024%0.241CC..Hα-helixtrans-65.9-34.1178.4-51.30000111.6L47 L48 L54 T55 I101 L128 I131 L132L47-T51 WeakPolarHBondContact O-CB 3.35Å; L47-T51 PolarHBondContact O-N 2.83Å; L47-T51 PolarHBondContact O-OG1 3.26Å; L48-T51 PolarHBondContact O-N 3.39Å; T51-L54 PolarHBondContact O-N 3.39Å; T51-T55 HydrophobicContact CG2-CG2 4.21Å; T51-T55 WeakPolarHBondContact O-CB 3.5Å; T51-T55 WeakPolarHBondContact O-CG2 3.47Å; T51-T55 PolarHBondContact O-N 3.5Å; T51-T55 PolarHBondContact O-OG1 2.95Å; T51-I101 HydrophobicContact CG2-CD1 4.02Å; T51-I101 HydrophobicContact CG2-CG1 4.23Å; T51-I101 HydrophobicContact CG2-CG2 4.47Å; T51-L128 HydrophobicContact CG2-CD1 3.83Å; T51-L128 WeakPolarHBondContact OG1-CD1 3.39Å; T51-I131 HydrophobicContact CG2-CG2 4.15Å; T51-L132 HydrophobicContact CG2-CB 3.97Å; T51-L132 HydrophobicContact CG2-CD1 4.33Å
52F98Very high95.5Very high53 Ų5348 Ų4823%0.23224%0.238CC..Hα-helixtrans-60-50.1170.7173.3-95.3000111.5L48 T49 F50 L54 T55 L56 F98 I101 A102 L105L48-F52 WeakPolarHBondContact O-CB 3.36Å; L48-F52 PolarHBondContact O-N 3.19Å; T49-F52 WeakPolarHBondContact O-CB 3.43Å; T49-F52 PolarHBondContact O-N 2.88Å; F50-F52 VanDerWaalsContact C-N 3.3Å; F50-F52 PolarHBondContact O-N 3.08Å; F52-L54 VanDerWaalsContact C-N 3.34Å; F52-L54 PolarHBondContact O-N 2.89Å; F52-T55 PolarHBondContact O-N 3.47Å; F52-T55 PolarHBondContact O-OG1 2.71Å; F52-L56 HydrophobicContact CE1-CD2 4.13Å; F52-L56 HydrophobicContact CZ-CD2 4.32Å; F52-L56 WeakPolarHBondContact O-CB 3.47Å; F52-L56 PolarHBondContact O-N 3.05Å; F52-F98 AromaticContact CD2-CE2 3.92Å; F52-F98 HydrophobicContact CD2-CE2 3.92Å; F52-F98 HydrophobicContact CE2-CD2 4.43Å; F52-F98 AromaticContact CE2-CE2 3.44Å; F52-F98 HydrophobicContact CE2-CE2 3.44Å; F52-F98 VanDerWaalsContact CE2-CE2 3.44Å; F52-F98 AromaticContact CE2-CZ 3.85Å; F52-F98 HydrophobicContact CE2-CZ 3.85Å; F52-F98 HydrophobicContact CZ-CE2 4.04Å; F52-F98 HydrophobicContact CZ-CZ 4.35Å; F52-I101 HydrophobicContact CB-CG2 3.76Å; F52-I101 HydrophobicContact CD2-CG2 4.44Å; F52-A102 HydrophobicContact CD2-CB 4.06Å; F52-A102 HydrophobicContact CE2-CB 3.78Å; F52-L105 HydrophobicContact CB-CD2 3.86Å; F52-L105 HydrophobicContact CD1-CD2 3.73Å; F52-L105 HydrophobicContact CD2-CD2 3.84Å; F52-L105 HydrophobicContact CE1-CD2 4.24Å; F52-L105 HydrophobicContact CE2-CD2 4.32Å; F52-L105 HydrophobicContact CG-CD2 3.51Å
53G96.3Very high95.6Very high32 Ų3249.7 Ų49.733%0.3325%0.245SC..Hα-helixtrans-58.6-44.217600000112.7T49 F50 L56 T57T49-G53 PolarHBondContact O-N 2.96Å; T49-G53 VanDerWaalsContact O-N 3.09Å; F50-G53 PolarHBondContact O-N 3.05Å; G53-L56 PolarHBondContact O-N 3.44Å; G53-T57 PolarHBondContact O-N 2.96Å; G53-T57 PolarHBondContact O-OG1 3.39Å
54L96.4Very high95.5Very high30 Ų3045.9 Ų45.916%0.15722%0.224CC..Hα-helixtrans-65.1-47.8179.4-166.373.9000112.4F50 T51 F52 T57 W58 L132 T135 V136 M139F50-L54 PolarHBondContact O-N 2.81Å; T51-L54 PolarHBondContact O-N 3.39Å; F52-L54 VanDerWaalsContact C-N 3.34Å; F52-L54 PolarHBondContact O-N 2.89Å; L54-T57 PolarHBondContact O-N 3.29Å; L54-W58 WeakPolarHBondContact O-CB 3.37Å; L54-W58 PolarHBondContact O-N 3.37Å; L54-L132 HydrophobicContact CD2-CD1 3.72Å; L54-T135 HydrophobicContact CD2-CG2 3.76Å; L54-T135 HydrophobicContact CG-CG2 3.87Å; L54-V136 HydrophobicContact CD2-CG2 3.65Å; L54-M139 HydrophobicContact CD1-CE 4.09Å; L54-M139 HydrophobicContact CD1-SD 3.56Å; L54-M139 VanDerWaalsContact CD1-SD 3.56Å; L54-M139 HydrophobicContact CD2-SD 4.42Å; L54-M139 HydrophobicContact CG-SD 3.83Å
55T97.6Very high95.3Very high2 Ų243.2 Ų43.21%0.01221%0.214CC..Hα-helixtrans-69.8-29.6178.953.60000113.2T51 F52 L59 I131 T135T51-T55 HydrophobicContact CG2-CG2 4.21Å; T51-T55 WeakPolarHBondContact O-CB 3.5Å; T51-T55 WeakPolarHBondContact O-CG2 3.47Å; T51-T55 PolarHBondContact O-N 3.5Å; T51-T55 PolarHBondContact O-OG1 2.95Å; F52-T55 PolarHBondContact O-N 3.47Å; F52-T55 PolarHBondContact O-OG1 2.71Å; T55-L59 VanDerWaalsContact O-CB 3.31Å; T55-L59 WeakPolarHBondContact O-CB 3.3Å; T55-L59 PolarHBondContact O-N 2.88Å; T55-I131 HydrophobicContact CG2-CG2 3.78Å; T55-T135 HydrophobicContact CG2-CG2 4.34Å
56L96.1Very high95.2Very high75 Ų7546 Ų4639%0.39323%0.228SC..Hα-helixtrans-64.2-49.5169.9178.360.2000111.1F52 G53 W58 L59 Y60 F98F52-L56 HydrophobicContact CE1-CD2 4.13Å; F52-L56 HydrophobicContact CZ-CD2 4.32Å; F52-L56 WeakPolarHBondContact O-CB 3.47Å; F52-L56 PolarHBondContact O-N 3.05Å; G53-L56 PolarHBondContact O-N 3.44Å; L56-W58 VanDerWaalsContact C-N 3.29Å; L56-W58 PolarHBondContact O-N 3.23Å; L56-L59 PolarHBondContact O-N 3.14Å; L56-Y60 WeakPolarHBondContact O-CB 3.44Å; L56-Y60 PolarHBondContact O-N 3.39Å; L56-F98 HydrophobicContact CB-CD2 4.21Å; L56-F98 HydrophobicContact CB-CE2 3.8Å; L56-F98 HydrophobicContact CD1-CE2 3.77Å; L56-F98 HydrophobicContact CD1-CZ 3.9Å; L56-F98 HydrophobicContact CG-CE2 4.33Å
57T94.1Very high95.1Very high59 Ų5941 Ų4136%0.36220%0.202SC..Hα-helixtrans-60.3-40.3176.3-57.90000111.5G53 L54 Y60 F61G53-T57 PolarHBondContact O-N 2.96Å; G53-T57 PolarHBondContact O-OG1 3.39Å; L54-T57 PolarHBondContact O-N 3.29Å; T57-Y60 PolarHBondContact O-N 2.96Å; T57-F61 PolarHBondContact O-N 3.4Å
58W95.6Very high94.9Very high10 Ų1038.8 Ų38.84%0.03819%0.19CC..Hα-helixtrans-68.9-40.4178.5-173.4-125.5000113.1L54 L56 Y60 F61 W62 T94 T135 A138 M139 V142 W150L54-W58 WeakPolarHBondContact O-CB 3.37Å; L54-W58 PolarHBondContact O-N 3.37Å; L56-W58 VanDerWaalsContact C-N 3.29Å; L56-W58 PolarHBondContact O-N 3.23Å; W58-Y60 VanDerWaalsContact C-N 3.33Å; W58-F61 HydrophobicContact CE3-CB 4.39Å; W58-F61 AromaticContact CE3-CD1 3.9Å; W58-F61 HydrophobicContact CE3-CD1 3.9Å; W58-F61 HydrophobicContact CE3-CG 4.34Å; W58-F61 HydrophobicContact CH2-CD1 4.41Å; W58-F61 HydrophobicContact CH2-CE1 4.42Å; W58-F61 AromaticContact CZ3-CD1 3.65Å; W58-F61 HydrophobicContact CZ3-CD1 3.65Å; W58-F61 AromaticContact CZ3-CE1 3.93Å; W58-F61 HydrophobicContact CZ3-CE1 3.93Å; W58-F61 HydrophobicContact CZ3-CG 4.35Å; W58-F61 PolarHBondContact O-N 2.89Å; W58-W62 AromaticContact CD2-CD1 3.83Å; W58-W62 AromaticContact CD2-NE1 3.77Å; W58-W62 AromaticContact CE2-CD1 3.64Å; W58-W62 AromaticContact CE2-NE1 3.25Å; W58-W62 AromaticContact CE3-NE1 3.93Å; W58-W62 HydrophobicContact CH2-CZ2 4.3Å; W58-W62 AromaticContact CH2-NE1 3.28Å; W58-W62 VanDerWaalsContact CH2-NE1 3.28Å; W58-W62 AromaticContact CZ2-CD1 3.89Å; W58-W62 AromaticContact CZ2-CE2 3.99Å; W58-W62 HydrophobicContact CZ2-CZ2 4.37Å; W58-W62 AromaticContact CZ2-NE1 3Å; W58-W62 AromaticContact CZ3-NE1 3.71Å; W58-W62 AromaticContact NE1-CD1 3.95Å; W58-W62 AromaticContact NE1-NE1 3.85Å; W58-W62 PolarHBondContact O-N 3.2Å; W58-T94 HydrophobicContact CB-CG2 4.46Å; W58-T94 HydrophobicContact CG-CG2 4.09Å; W58-T94 PolarHBondContact NE1-OG1 2.86Å; W58-T135 HydrophobicContact CB-CG2 4.02Å; W58-T135 HydrophobicContact CG-CG2 4.03Å; W58-A138 HydrophobicContact CH2-CB 4.34Å; W58-A138 HydrophobicContact CZ2-CB 3.64Å; W58-M139 HydrophobicContact CB-SD 4.41Å; W58-M139 HydrophobicContact CD2-CG 3.79Å; W58-M139 HydrophobicContact CE3-CB 4.5Å; W58-M139 HydrophobicContact CE3-CG 3.39Å; W58-M139 HydrophobicContact CE3-SD 4.39Å; W58-M139 HydrophobicContact CG-CG 4.36Å; W58-M139 HydrophobicContact CH2-CG 4.31Å; W58-M139 HydrophobicContact CZ3-CB 4.37Å; W58-M139 HydrophobicContact CZ3-CG 3.69Å; W58-V142 HydrophobicContact CH2-CB 4.12Å; W58-V142 HydrophobicContact CH2-CG2 3.74Å; W58-V142 HydrophobicContact CZ3-CB 4.48Å; W58-W150 HydrophobicContact CE3-CH2 4.38Å; W58-W150 HydrophobicContact CZ3-CH2 4.08Å; W58-W150 HydrophobicContact CZ3-CZ2 4.48Å
59L96Very high94.6Very high34 Ų3439.6 Ų39.618%0.17819%0.193CC..Hα-helixtrans-62.7-41.7172178.960.3000111.5T55 L56 W62 W63 L91 T94 A95 F98T55-L59 VanDerWaalsContact O-CB 3.31Å; T55-L59 WeakPolarHBondContact O-CB 3.3Å; T55-L59 PolarHBondContact O-N 2.88Å; L56-L59 PolarHBondContact O-N 3.14Å; L59-W62 PolarHBondContact O-N 3.42Å; L59-W63 WeakPolarHBondContact O-CB 3.1Å; L59-W63 PolarHBondContact O-N 3.07Å; L59-W63 VanDerWaalsContact O-N 3.09Å; L59-L91 HydrophobicContact CD1-CD1 3.83Å; L59-T94 HydrophobicContact CB-CG2 3.88Å; L59-T94 HydrophobicContact CD1-CG2 4.15Å; L59-A95 HydrophobicContact CD1-CB 3.98Å; L59-F98 HydrophobicContact CD2-CB 4.01Å; L59-F98 HydrophobicContact CD2-CD1 3.38Å; L59-F98 HydrophobicContact CD2-CE1 3.97Å; L59-F98 HydrophobicContact CD2-CG 3.7Å
60Y94.7Very high94.4Very high43 Ų4337.9 Ų37.917%0.16918%0.182CC..Hα-helixtrans-64.7-42.3177.8-175.5-116.4000112.2L56 T57 W58 W62 W63 E64 L153 S156 L157 T160L56-Y60 WeakPolarHBondContact O-CB 3.44Å; L56-Y60 PolarHBondContact O-N 3.39Å; T57-Y60 PolarHBondContact O-N 2.96Å; W58-Y60 VanDerWaalsContact C-N 3.33Å; Y60-W62 PolarHBondContact O-N 3.5Å; Y60-W63 WeakPolarHBondContact O-CB 3.29Å; Y60-W63 PolarHBondContact O-N 3.14Å; Y60-E64 HydrophobicContact CD2-CG 4.17Å; Y60-E64 HydrophobicContact CE1-CG 4.05Å; Y60-E64 HydrophobicContact CE2-CG 3.58Å; Y60-E64 WeakPolarHBondContact CE2-OE1 3.5Å; Y60-E64 VanDerWaalsContact CZ-CG 3.47Å; Y60-E64 WeakPolarHBondContact O-CG 3.26Å; Y60-E64 PolarHBondContact O-N 2.79Å; Y60-E64 VanDerWaalsContact O-N 3.07Å; Y60-E64 VanDerWaalsContact OH-CD 3.3Å; Y60-E64 WeakPolarHBondContact OH-CG 3.39Å; Y60-E64 PolarHBondContact OH-OE1 3.06Å; Y60-L153 HydrophobicContact CD1-CD1 3.5Å; Y60-L153 HydrophobicContact CE1-CD1 3.7Å; Y60-S156 WeakPolarHBondContact OH-CB 3.47Å; Y60-S156 PolarHBondContact OH-OG 3.4Å; Y60-S156 VanDerWaalsContact OH-OG 3.09Å; Y60-L157 HydrophobicContact CE1-CD2 4.44Å; Y60-T160 WeakPolarHBondContact OH-CB 3.21Å; Y60-T160 VanDerWaalsContact OH-CG2 3.27Å; Y60-T160 WeakPolarHBondContact OH-CG2 3.49Å; Y60-T160 PolarHBondContact OH-OG1 2.87Å
61F93.8Very high94Very high1 Ų135.4 Ų35.40%0.00417%0.172CC..Hα-helixtrans-55-52.4173.1172.2-93.5000112T57 W58 W63 E64 V65 V142 E149 W150T57-F61 PolarHBondContact O-N 3.4Å; W58-F61 HydrophobicContact CE3-CB 4.39Å; W58-F61 AromaticContact CE3-CD1 3.9Å; W58-F61 HydrophobicContact CE3-CD1 3.9Å; W58-F61 HydrophobicContact CE3-CG 4.34Å; W58-F61 HydrophobicContact CH2-CD1 4.41Å; W58-F61 HydrophobicContact CH2-CE1 4.42Å; W58-F61 AromaticContact CZ3-CD1 3.65Å; W58-F61 HydrophobicContact CZ3-CD1 3.65Å; W58-F61 AromaticContact CZ3-CE1 3.93Å; W58-F61 HydrophobicContact CZ3-CE1 3.93Å; W58-F61 HydrophobicContact CZ3-CG 4.35Å; W58-F61 PolarHBondContact O-N 2.89Å; F61-W63 VanDerWaalsContact C-N 3.26Å; F61-W63 PolarHBondContact O-N 3.33Å; F61-E64 PolarHBondContact O-N 2.96Å; F61-V65 HydrophobicContact CD2-CG2 3.99Å; F61-V65 HydrophobicContact CE1-CG2 4.25Å; F61-V65 HydrophobicContact CE2-CG2 3.68Å; F61-V65 HydrophobicContact CG-CG2 4.41Å; F61-V65 HydrophobicContact CZ-CG2 3.81Å; F61-V65 WeakPolarHBondContact O-CB 3.39Å; F61-V65 WeakPolarHBondContact O-CG2 3.31Å; F61-V65 PolarHBondContact O-N 3.16Å; F61-V142 HydrophobicContact CE1-CG1 4.1Å; F61-V142 HydrophobicContact CZ-CG1 3.76Å; F61-E149 HydrophobicContact CE2-CB 4.25Å; F61-E149 HydrophobicContact CZ-CB 4.28Å; F61-W150 HydrophobicContact CD2-CE3 4.12Å; F61-W150 HydrophobicContact CD2-CH2 4.46Å; F61-W150 AromaticContact CD2-CZ3 3.97Å; F61-W150 HydrophobicContact CD2-CZ3 3.97Å; F61-W150 HydrophobicContact CE2-CD2 4.42Å; F61-W150 HydrophobicContact CE2-CE3 4.26Å; F61-W150 HydrophobicContact CE2-CZ3 4.37Å; F61-W150 HydrophobicContact CG-CZ3 4.45Å
62W93.8Very high93.7Very high2 Ų236.1 Ų36.11%0.00818%0.175CC..Hα-helixtrans-66.4-26.6-179.7-80.7100.4000114W58 L59 Y60 Y69 F72 P87 I90 L91 V142W58-W62 AromaticContact CD2-CD1 3.83Å; W58-W62 AromaticContact CD2-NE1 3.77Å; W58-W62 AromaticContact CE2-CD1 3.64Å; W58-W62 AromaticContact CE2-NE1 3.25Å; W58-W62 AromaticContact CE3-NE1 3.93Å; W58-W62 HydrophobicContact CH2-CZ2 4.3Å; W58-W62 AromaticContact CH2-NE1 3.28Å; W58-W62 VanDerWaalsContact CH2-NE1 3.28Å; W58-W62 AromaticContact CZ2-CD1 3.89Å; W58-W62 AromaticContact CZ2-CE2 3.99Å; W58-W62 HydrophobicContact CZ2-CZ2 4.37Å; W58-W62 AromaticContact CZ2-NE1 3Å; W58-W62 AromaticContact CZ3-NE1 3.71Å; W58-W62 AromaticContact NE1-CD1 3.95Å; W58-W62 AromaticContact NE1-NE1 3.85Å; W58-W62 PolarHBondContact O-N 3.2Å; L59-W62 PolarHBondContact O-N 3.42Å; Y60-W62 PolarHBondContact O-N 3.5Å; W62-Y69 HydrophobicContact CE3-CE1 4.08Å; W62-Y69 HydrophobicContact CZ3-CE1 4.4Å; W62-Y69 PolarHBondContact O-OH 3.11Å; W62-F72 HydrophobicContact CH2-CD1 4.24Å; W62-F72 AromaticContact CH2-CE1 3.79Å; W62-F72 HydrophobicContact CH2-CE1 3.79Å; W62-F72 HydrophobicContact CH2-CE2 4.13Å; W62-F72 AromaticContact CH2-CZ 3.73Å; W62-F72 HydrophobicContact CH2-CZ 3.73Å; W62-F72 HydrophobicContact CZ2-CZ 4.49Å; W62-F72 HydrophobicContact CZ3-CD1 4.48Å; W62-F72 HydrophobicContact CZ3-CE1 4.36Å; W62-P87 HydrophobicContact CE3-CB 4.21Å; W62-P87 HydrophobicContact CZ3-CB 3.83Å; W62-P87 HydrophobicContact CZ3-CG 4.16Å; W62-I90 HydrophobicContact CD2-CB 4.49Å; W62-I90 HydrophobicContact CD2-CG2 3.83Å; W62-I90 HydrophobicContact CE3-CG2 4.43Å; W62-I90 HydrophobicContact CG-CG2 4.29Å; W62-I90 HydrophobicContact CH2-CD1 3.82Å; W62-I90 HydrophobicContact CH2-CG2 4.25Å; W62-I90 HydrophobicContact CZ2-CB 4.33Å; W62-I90 HydrophobicContact CZ2-CD1 3.98Å; W62-I90 HydrophobicContact CZ2-CG2 3.6Å; W62-I90 HydrophobicContact CZ3-CD1 4.49Å; W62-L91 HydrophobicContact CB-CD1 3.91Å; W62-V142 HydrophobicContact CZ2-CG2 4.42Å
63W92.4Very high93.4Very high172 Ų17233.7 Ų33.765%0.65217%0.165SC*.Hα-helixtrans-69.6-45.5173.6-176-91.9000112.2L59 Y60 F61 H66L59-W63 WeakPolarHBondContact O-CB 3.1Å; L59-W63 PolarHBondContact O-N 3.07Å; L59-W63 VanDerWaalsContact O-N 3.09Å; Y60-W63 WeakPolarHBondContact O-CB 3.29Å; Y60-W63 PolarHBondContact O-N 3.14Å; F61-W63 VanDerWaalsContact C-N 3.26Å; F61-W63 PolarHBondContact O-N 3.33Å; W63-H66 WeakPolarHBondContact O-CB 3.45Å
64E90.9Very high93.1Very high11 Ų1135.5 Ų35.55%0.05116%0.162CC..Hα-helixtrans-76.6-36.4-176.5-64-67.8-179.500113Y60 F61 H66 S156 T160 W460Y60-E64 HydrophobicContact CD2-CG 4.17Å; Y60-E64 HydrophobicContact CE1-CG 4.05Å; Y60-E64 HydrophobicContact CE2-CG 3.58Å; Y60-E64 WeakPolarHBondContact CE2-OE1 3.5Å; Y60-E64 VanDerWaalsContact CZ-CG 3.47Å; Y60-E64 WeakPolarHBondContact O-CG 3.26Å; Y60-E64 PolarHBondContact O-N 2.79Å; Y60-E64 VanDerWaalsContact O-N 3.07Å; Y60-E64 VanDerWaalsContact OH-CD 3.3Å; Y60-E64 WeakPolarHBondContact OH-CG 3.39Å; Y60-E64 PolarHBondContact OH-OE1 3.06Å; F61-E64 PolarHBondContact O-N 2.96Å; E64-H66 PolarHBondContact O-N 3.35Å; E64-S156 VanDerWaalsContact CD-CB 3.46Å; E64-T160 WeakPolarHBondContact OE1-CG2 3.47Å; E64-W460 HydrophobicContact CB-CZ2 4.49Å
65V91.6Very high92.7Very high0 Ų036.2 Ų36.20%016%0.162CC..G310 helixtrans-69.15.4178.71720000113.1F61 N67 D68 Y69 W146 V152F61-V65 HydrophobicContact CD2-CG2 3.99Å; F61-V65 HydrophobicContact CE1-CG2 4.25Å; F61-V65 HydrophobicContact CE2-CG2 3.68Å; F61-V65 HydrophobicContact CG-CG2 4.41Å; F61-V65 HydrophobicContact CZ-CG2 3.81Å; F61-V65 WeakPolarHBondContact O-CB 3.39Å; F61-V65 WeakPolarHBondContact O-CG2 3.31Å; F61-V65 PolarHBondContact O-N 3.16Å; V65-N67 PolarHBondContact O-N 2.94Å; V65-D68 HydrophobicContact CG1-CB 4.42Å; V65-D68 PolarHBondContact O-N 3.37Å; V65-Y69 WeakPolarHBondContact O-CD1 3.39Å; V65-W146 HydrophobicContact CG1-CH2 3.42Å; V65-W146 VanDerWaalsContact CG1-CH2 3.42Å; V65-W146 HydrophobicContact CG1-CZ3 3.59Å; V65-V152 HydrophobicContact CG2-CB 4.12Å; V65-V152 HydrophobicContact CG2-CG1 4.04Å
66H91.8Very high92.4Very high100 Ų10037.5 Ų37.546%0.46317%0.169SC..G310 helixtrans-52.1-26.8170.9-175.351.5000114.1W63 E64 D68 Y69W63-H66 WeakPolarHBondContact O-CB 3.45Å; E64-H66 PolarHBondContact O-N 3.35Å; H66-D68 PolarHBondContact O-N 2.95Å; H66-Y69 VanDerWaalsContact CA-CE1 3.43Å; H66-Y69 HydrophobicContact CB-CE1 4.25Å; H66-Y69 HydrophobicContact CB-CE2 4.37Å; H66-Y69 AromaticContact ND1-CD2 3.31Å; H66-Y69 VanDerWaalsContact ND1-CD2 3.31Å; H66-Y69 WeakPolarHBondContact ND1-CD2 3.45Å; H66-Y69 AromaticContact ND1-CE2 3.26Å; H66-Y69 VanDerWaalsContact ND1-CE2 3.26Å; H66-Y69 WeakPolarHBondContact ND1-CE2 3.21Å; H66-Y69 AromaticContact ND1-CG 3.99Å; H66-Y69 AromaticContact ND1-CZ 3.89Å
67N93.3Very high92.1Very high6 Ų634.6 Ų34.63%0.03215%0.153CC..G310 helixtrans-57.5-35.2173.2-171.984.4000113.3V65 T455 N457 A458 L461V65-N67 PolarHBondContact O-N 2.94Å; N67-T455 PolarHBondContact ND2-O 3.1Å; N67-N457 PolarHBondContact OD1-N 2.83Å; N67-A458 HydrophobicContact CB-CB 4.11Å; N67-A458 PolarHBondContact OD1-N 3.05Å; N67-L461 HydrophobicContact CB-CD2 4.47Å
68D91.9Very high91.7Very high4 Ų436 Ų362%0.02116%0.159CC..G310 helixtrans-114.915.9-165.5-49-62000112.7V65 H66 D70 E71 F72 W146 R432 Y433V65-D68 HydrophobicContact CG1-CB 4.42Å; V65-D68 PolarHBondContact O-N 3.37Å; H66-D68 PolarHBondContact O-N 2.95Å; D68-D70 VanDerWaalsContact C-N 3.26Å; D68-D70 PolarHBondContact O-N 3.05Å; D68-E71 HydrophobicContact CB-CB 4.42Å; D68-E71 PolarHBondContact O-N 3.47Å; D68-E71 VanDerWaalsContact O-N 3.1Å; D68-F72 PolarHBondContact O-N 2.94Å; D68-W146 HydrophobicContact CB-CH2 4.05Å; D68-W146 HydrophobicContact CB-CZ2 3.93Å; D68-R432 IonicContact OD1-NH2 3.77Å; D68-R432 PolarHBondContact OD1-NH2 3.48Å; D68-Y433 WeakPolarHBondContact OD1-CE1 3.33Å; D68-Y433 PolarHBondContact OD2-OH 2.86Å
69Y92.3Very high91.3Very high18 Ų1843 Ų437%0.07119%0.185CC..Hα-helixtrans-57-36.8177.3-80.89.6000112.9W62 V65 H66 N73 P87 W321W62-Y69 HydrophobicContact CE3-CE1 4.08Å; W62-Y69 HydrophobicContact CZ3-CE1 4.4Å; W62-Y69 PolarHBondContact O-OH 3.11Å; V65-Y69 WeakPolarHBondContact O-CD1 3.39Å; H66-Y69 VanDerWaalsContact CA-CE1 3.43Å; H66-Y69 HydrophobicContact CB-CE1 4.25Å; H66-Y69 HydrophobicContact CB-CE2 4.37Å; H66-Y69 AromaticContact ND1-CD2 3.31Å; H66-Y69 VanDerWaalsContact ND1-CD2 3.31Å; H66-Y69 WeakPolarHBondContact ND1-CD2 3.45Å; H66-Y69 AromaticContact ND1-CE2 3.26Å; H66-Y69 VanDerWaalsContact ND1-CE2 3.26Å; H66-Y69 WeakPolarHBondContact ND1-CE2 3.21Å; H66-Y69 AromaticContact ND1-CG 3.99Å; H66-Y69 AromaticContact ND1-CZ 3.89Å; Y69-N73 WeakPolarHBondContact O-CB 3.39Å; Y69-N73 VanDerWaalsContact O-CG 3.24Å; Y69-N73 PolarHBondContact O-N 3.32Å; Y69-N73 PolarHBondContact O-ND2 3.43Å; Y69-P87 HydrophobicContact CD1-CB 3.56Å; Y69-P87 HydrophobicContact CD1-CG 3.77Å; Y69-P87 HydrophobicContact CD2-CB 3.59Å; Y69-P87 HydrophobicContact CD2-CG 4.1Å; Y69-P87 HydrophobicContact CE1-CB 3.62Å; Y69-P87 HydrophobicContact CE1-CG 4.32Å; Y69-P87 HydrophobicContact CE2-CB 3.63Å; Y69-P87 HydrophobicContact CG-CB 3.56Å; Y69-P87 HydrophobicContact CG-CG 3.66Å; Y69-W321 HydrophobicContact CD2-CH2 4.17Å
70D90.6Very high91Very high19 Ų1945 Ų4510%0.10219%0.194CC..Hα-helixtrans-67.2-41.8174.3-176.272.9000112D68 F72 N73 W74 W83 F320D68-D70 VanDerWaalsContact C-N 3.26Å; D68-D70 PolarHBondContact O-N 3.05Å; D70-F72 VanDerWaalsContact C-N 3.33Å; D70-F72 PolarHBondContact O-N 3.34Å; D70-N73 PolarHBondContact O-N 2.93Å; D70-W74 VanDerWaalsContact O-CB 3.31Å; D70-W74 WeakPolarHBondContact O-CB 3.43Å; D70-W74 PolarHBondContact O-N 3.29Å; D70-W83 VanDerWaalsContact OD1-CH2 3.24Å; D70-W83 WeakPolarHBondContact OD1-CH2 3.32Å; D70-W83 WeakPolarHBondContact OD1-CZ2 3.42Å; D70-F320 HydrophobicContact CB-CE1 3.76Å; D70-F320 HydrophobicContact CB-CZ 4.41Å
71E89.4Confident90.5Very high72 Ų7244.1 Ų44.134%0.33620%0.198SC..Hα-helixtrans-63.6-39.4177.1-172.1164.6-159.500110.9D68 Y75 R432D68-E71 HydrophobicContact CB-CB 4.42Å; D68-E71 PolarHBondContact O-N 3.47Å; D68-E71 VanDerWaalsContact O-N 3.1Å; E71-Y75 VanDerWaalsContact O-CB 3.29Å; E71-Y75 WeakPolarHBondContact O-CB 3.35Å; E71-Y75 PolarHBondContact O-N 2.88Å; E71-R432 IonicContact OE1-NE 3.21Å; E71-R432 IonicContact OE2-CZ 3.23Å; E71-R432 IonicContact OE2-NE 2.71Å; E71-R432 PolarHBondContact OE2-NE 3.33Å; E71-R432 VanDerWaalsContact OE2-NE 3.13Å; E71-R432 IonicContact OE2-NH2 3.65Å; E71-R432 PolarHBondContact OE2-NH2 3.47Å
72F90.6Very high90.2Very high15 Ų1549.8 Ų49.87%0.06622%0.22CC..Hα-helixtrans-64.8-46.1172.2-170.8-108.8000113.2W62 D68 D70 W74 Y75 L76 W86 P87 I90 W146W62-F72 HydrophobicContact CH2-CD1 4.24Å; W62-F72 AromaticContact CH2-CE1 3.79Å; W62-F72 HydrophobicContact CH2-CE1 3.79Å; W62-F72 HydrophobicContact CH2-CE2 4.13Å; W62-F72 AromaticContact CH2-CZ 3.73Å; W62-F72 HydrophobicContact CH2-CZ 3.73Å; W62-F72 HydrophobicContact CZ2-CZ 4.49Å; W62-F72 HydrophobicContact CZ3-CD1 4.48Å; W62-F72 HydrophobicContact CZ3-CE1 4.36Å; D68-F72 PolarHBondContact O-N 2.94Å; D70-F72 VanDerWaalsContact C-N 3.33Å; D70-F72 PolarHBondContact O-N 3.34Å; F72-W74 VanDerWaalsContact C-N 3.33Å; F72-W74 PolarHBondContact O-N 3.38Å; F72-Y75 WeakPolarHBondContact O-CB 3.39Å; F72-Y75 PolarHBondContact O-N 3.47Å; F72-L76 HydrophobicContact CD1-CD1 3.9Å; F72-L76 HydrophobicContact CD1-CG 4.5Å; F72-L76 HydrophobicContact CE1-CD1 3.35Å; F72-L76 HydrophobicContact CE1-CG 4.21Å; F72-L76 HydrophobicContact CE2-CD1 4.41Å; F72-L76 HydrophobicContact CZ-CD1 3.65Å; F72-L76 HydrophobicContact CZ-CG 4.23Å; F72-L76 PolarHBondContact O-N 2.92Å; F72-W86 HydrophobicContact CD1-CB 4.3Å; F72-W86 HydrophobicContact CE1-CB 3.8Å; F72-P87 HydrophobicContact CD1-CG 3.7Å; F72-P87 HydrophobicContact CE1-CG 4.4Å; F72-P87 HydrophobicContact CG-CG 4.49Å; F72-I90 HydrophobicContact CE1-CD1 3.87Å; F72-I90 HydrophobicContact CZ-CD1 4.05Å; F72-W146 HydrophobicContact CB-CH2 3.53Å; F72-W146 HydrophobicContact CB-CZ2 3.88Å; F72-W146 HydrophobicContact CB-CZ3 3.89Å; F72-W146 AromaticContact CD2-CD2 3.83Å; F72-W146 HydrophobicContact CD2-CD2 3.83Å; F72-W146 AromaticContact CD2-CE3 3.32Å; F72-W146 HydrophobicContact CD2-CE3 3.32Å; F72-W146 AromaticContact CD2-CH2 3.88Å; F72-W146 HydrophobicContact CD2-CH2 3.88Å; F72-W146 HydrophobicContact CD2-CZ2 4.3Å; F72-W146 AromaticContact CD2-CZ3 3.34Å; F72-W146 HydrophobicContact CD2-CZ3 3.34Å; F72-W146 HydrophobicContact CE2-CD2 4.49Å; F72-W146 AromaticContact CE2-CE3 3.82Å; F72-W146 HydrophobicContact CE2-CE3 3.82Å; F72-W146 HydrophobicContact CE2-CZ3 4.09Å; F72-W146 HydrophobicContact CG-CE3 4.27Å; F72-W146 HydrophobicContact CG-CH2 4.04Å; F72-W146 AromaticContact CG-CZ3 3.85Å; F72-W146 HydrophobicContact CG-CZ3 3.85Å
73N92Very high89.9Confident3 Ų351.7 Ų51.72%0.01623%0.228CC..Hα-helixtrans-61.2-42.9176.9-77.8-16.8000111Y69 D70 L76 Y77 W83 S84 D85 W86 P87Y69-N73 WeakPolarHBondContact O-CB 3.39Å; Y69-N73 VanDerWaalsContact O-CG 3.24Å; Y69-N73 PolarHBondContact O-N 3.32Å; Y69-N73 PolarHBondContact O-ND2 3.43Å; D70-N73 PolarHBondContact O-N 2.93Å; N73-L76 PolarHBondContact O-N 3.48Å; N73-Y77 VanDerWaalsContact O-CB 3.27Å; N73-Y77 WeakPolarHBondContact O-CB 3.5Å; N73-Y77 PolarHBondContact O-N 3.34Å; N73-W83 HydrophobicContact CB-CD2 4.49Å; N73-W83 HydrophobicContact CB-CH2 3.7Å; N73-W83 HydrophobicContact CB-CZ2 3.49Å; N73-W83 VanDerWaalsContact CB-CZ2 3.49Å; N73-W83 HydrophobicContact CB-CZ3 4.28Å; N73-S84 PolarHBondContact OD1-O 2.92Å; N73-S84 VanDerWaalsContact OD1-O 3.04Å; N73-D85 PolarHBondContact ND2-OD1 3.06Å; N73-W86 PolarHBondContact OD1-N 2.82Å; N73-P87 WeakPolarHBondContact OD1-CD 3.47Å
74W90.3Very high89.8Confident70 Ų7045.8 Ų45.827%0.26521%0.213SC..Hα-helixtrans-65.5-40.4175.8-17989.2000112.6D70 F72 Y77 N78 W83 H275 D276D70-W74 VanDerWaalsContact O-CB 3.31Å; D70-W74 WeakPolarHBondContact O-CB 3.43Å; D70-W74 PolarHBondContact O-N 3.29Å; F72-W74 VanDerWaalsContact C-N 3.33Å; F72-W74 PolarHBondContact O-N 3.38Å; W74-Y77 WeakPolarHBondContact O-CB 3.4Å; W74-Y77 PolarHBondContact O-N 3.3Å; W74-N78 WeakPolarHBondContact CH2-ND2 3.49Å; W74-N78 WeakPolarHBondContact CZ2-ND2 3.36Å; W74-N78 VanDerWaalsContact CZ3-ND2 3.3Å; W74-N78 WeakPolarHBondContact CZ3-ND2 3.33Å; W74-N78 PolarHBondContact O-N 3.1Å; W74-N78 PolarHBondContact O-ND2 2.88Å; W74-W83 HydrophobicContact CB-CH2 4.34Å; W74-W83 HydrophobicContact CB-CZ3 4.06Å; W74-H275 AromaticContact CE2-CE1 3.63Å; W74-H275 AromaticContact CE2-ND1 3.96Å; W74-H275 AromaticContact CZ2-CE1 3.61Å; W74-H275 AromaticContact NE1-CE1 3.71Å; W74-H275 AromaticContact NE1-ND1 3.58Å; W74-D276 PolarHBondContact NE1-OD1 2.85Å
75Y89.1Confident89.9Confident44 Ų4447.1 Ų47.117%0.17322%0.22CC..Hα-helixtrans-59.7-46.4173.6175.9-86.8000111.9E71 F72 N78 R79 L145E71-Y75 VanDerWaalsContact O-CB 3.29Å; E71-Y75 WeakPolarHBondContact O-CB 3.35Å; E71-Y75 PolarHBondContact O-N 2.88Å; F72-Y75 WeakPolarHBondContact O-CB 3.39Å; F72-Y75 PolarHBondContact O-N 3.47Å; Y75-N78 PolarHBondContact O-N 3.25Å; Y75-R79 VanDerWaalsContact CE1-NE 3.3Å; Y75-R79 PolarHBondContact O-N 3.33Å; Y75-R79 PolarHBondContact OH-NE 2.61Å; Y75-R79 PolarHBondContact OH-NH2 3.23Å; Y75-L145 HydrophobicContact CE1-CB 4.39Å; Y75-L145 WeakPolarHBondContact CE2-O 3.13Å; Y75-L145 WeakPolarHBondContact OH-CA 3.39Å; Y75-L145 WeakPolarHBondContact OH-CB 3.35Å; Y75-L145 PolarHBondContact OH-O 3.01Å
76L89.5Confident89.9Confident30 Ų3051 Ų5116%0.15724%0.235CC..Hα-helixtrans-69.6-37.2177-74.5-175.3000112.4F72 N73 N78 R79 M80 W86F72-L76 HydrophobicContact CD1-CD1 3.9Å; F72-L76 HydrophobicContact CD1-CG 4.5Å; F72-L76 HydrophobicContact CE1-CD1 3.35Å; F72-L76 HydrophobicContact CE1-CG 4.21Å; F72-L76 HydrophobicContact CE2-CD1 4.41Å; F72-L76 HydrophobicContact CZ-CD1 3.65Å; F72-L76 HydrophobicContact CZ-CG 4.23Å; F72-L76 PolarHBondContact O-N 2.92Å; N73-L76 PolarHBondContact O-N 3.48Å; L76-N78 VanDerWaalsContact C-N 3.34Å; L76-N78 PolarHBondContact O-N 3.4Å; L76-R79 PolarHBondContact O-N 3.12Å; L76-R79 VanDerWaalsContact O-N 3.1Å; L76-M80 HydrophobicContact CB-CE 3.89Å; L76-M80 HydrophobicContact CD1-CE 4.49Å; L76-M80 HydrophobicContact CD2-CE 4.5Å; L76-M80 PolarHBondContact O-N 3.4Å; L76-W86 HydrophobicContact CD1-CB 3.56Å; L76-W86 VanDerWaalsContact CD1-CD1 3.44Å; L76-W86 HydrophobicContact CD1-CD2 4.3Å; L76-W86 HydrophobicContact CD1-CG 3.46Å; L76-W86 VanDerWaalsContact CD1-CG 3.46Å
77Y90.1Very high89.9Confident14 Ų1446.2 Ų46.26%0.05521%0.213CC..Hα-helixtrans-55.7-46.8172.3172.5-91.4000111.5N73 W74 R79 M80 G81 Y82 W83 R280 R281N73-Y77 VanDerWaalsContact O-CB 3.27Å; N73-Y77 WeakPolarHBondContact O-CB 3.5Å; N73-Y77 PolarHBondContact O-N 3.34Å; W74-Y77 WeakPolarHBondContact O-CB 3.4Å; W74-Y77 PolarHBondContact O-N 3.3Å; Y77-R79 PolarHBondContact O-N 3.25Å; Y77-M80 PolarHBondContact O-N 3.31Å; Y77-G81 VanDerWaalsContact O-CA 3.3Å; Y77-G81 WeakPolarHBondContact O-CA 2.9Å; Y77-G81 PolarHBondContact O-N 2.86Å; Y77-Y82 VanDerWaalsContact CD2-C 3.44Å; Y77-W83 HydrophobicContact CD2-CB 4.11Å; Y77-W83 HydrophobicContact CD2-CE3 4.16Å; Y77-W83 HydrophobicContact CG-CE3 4.17Å; Y77-R280 WeakPolarHBondContact OH-CB 3.02Å; Y77-R280 PolarHBondContact OH-NH1 3.02Å; Y77-R281 HydrophobicContact CE1-CB 4Å; Y77-R281 HydrophobicContact CE2-CB 4.35Å; Y77-R281 PolarHBondContact OH-N 3.03Å
78N87.2Confident89.9Confident89 Ų8949 Ų4948%0.47623%0.23SC..Hα-helixtrans-63.2-24.8178.5-76.8-34000113.5W74 Y75 L76W74-N78 WeakPolarHBondContact CH2-ND2 3.49Å; W74-N78 WeakPolarHBondContact CZ2-ND2 3.36Å; W74-N78 VanDerWaalsContact CZ3-ND2 3.3Å; W74-N78 WeakPolarHBondContact CZ3-ND2 3.33Å; W74-N78 PolarHBondContact O-N 3.1Å; W74-N78 PolarHBondContact O-ND2 2.88Å; Y75-N78 PolarHBondContact O-N 3.25Å; L76-N78 VanDerWaalsContact C-N 3.34Å; L76-N78 PolarHBondContact O-N 3.4Å
79R87Confident90Very high156 Ų15651.8 Ų51.859%0.58925%0.248SC*.Hα-helixtrans-90.7-38.5178.8-70.3177.9171.5-110.3-0.6113.3Y75 L76 Y77Y75-R79 VanDerWaalsContact CE1-NE 3.3Å; Y75-R79 PolarHBondContact O-N 3.33Å; Y75-R79 PolarHBondContact OH-NE 2.61Å; Y75-R79 PolarHBondContact OH-NH2 3.23Å; L76-R79 PolarHBondContact O-N 3.12Å; L76-R79 VanDerWaalsContact O-N 3.1Å; Y77-R79 PolarHBondContact O-N 3.25Å
80M87.9Confident90.1Very high77 Ų7752.9 Ų52.938%0.37926%0.255SS..Hα-helixtrans-103.8-17.7-172.9-62.1-170.9-6200114.2L76 Y77 Y82 W86L76-M80 HydrophobicContact CB-CE 3.89Å; L76-M80 HydrophobicContact CD1-CE 4.49Å; L76-M80 HydrophobicContact CD2-CE 4.5Å; L76-M80 PolarHBondContact O-N 3.4Å; Y77-M80 PolarHBondContact O-N 3.31Å; M80-Y82 HydrophobicContact CB-CD1 3.98Å; M80-Y82 HydrophobicContact CB-CE1 3.69Å; M80-Y82 WeakPolarHBondContact O-CD1 3.45Å; M80-Y82 PolarHBondContact O-N 3.49Å; M80-Y82 HydrophobicContact SD-CE1 4.39Å; M80-W86 HydrophobicContact CE-CZ2 3.94Å; M80-W86 HydrophobicContact SD-CZ2 4.47Å
81G85.1Confident90.3Very high24 Ų2453.9 Ų53.925%0.24726%0.26CS..SBendtrans83.10.2175.100000116.1Y77 R280Y77-G81 VanDerWaalsContact O-CA 3.3Å; Y77-G81 WeakPolarHBondContact O-CA 2.9Å; Y77-G81 PolarHBondContact O-N 2.86Å; G81-R280 PolarHBondContact O-NH1 3.22Å; G81-R280 PolarHBondContact O-NH2 3.29Å
82Y86.7Confident90.6Very high120 Ų12054.9 Ų54.947%0.47127%0.27SS..SBendtrans-132.5152175.267-88.4000111.1Y77 M80 W86Y77-Y82 VanDerWaalsContact CD2-C 3.44Å; M80-Y82 HydrophobicContact CB-CD1 3.98Å; M80-Y82 HydrophobicContact CB-CE1 3.69Å; M80-Y82 WeakPolarHBondContact O-CD1 3.45Å; M80-Y82 PolarHBondContact O-N 3.49Å; M80-Y82 HydrophobicContact SD-CE1 4.39Å; Y82-W86 HydrophobicContact CE2-CZ2 4.34Å; Y82-W86 WeakPolarHBondContact OH-CZ2 3.41Å
83W88.8Confident90.8Very high42 Ų4258.4 Ų58.416%0.15929%0.294CS..  trans-89.2140.3178.6-170.1-83.9000110.4D70 N73 W74 Y77 D85 R281 T317 P319D70-W83 VanDerWaalsContact OD1-CH2 3.24Å; D70-W83 WeakPolarHBondContact OD1-CH2 3.32Å; D70-W83 WeakPolarHBondContact OD1-CZ2 3.42Å; N73-W83 HydrophobicContact CB-CD2 4.49Å; N73-W83 HydrophobicContact CB-CH2 3.7Å; N73-W83 HydrophobicContact CB-CZ2 3.49Å; N73-W83 VanDerWaalsContact CB-CZ2 3.49Å; N73-W83 HydrophobicContact CB-CZ3 4.28Å; W74-W83 HydrophobicContact CB-CH2 4.34Å; W74-W83 HydrophobicContact CB-CZ3 4.06Å; Y77-W83 HydrophobicContact CD2-CB 4.11Å; Y77-W83 HydrophobicContact CD2-CE3 4.16Å; Y77-W83 HydrophobicContact CG-CE3 4.17Å; W83-D85 PolarHBondContact NE1-OD1 2.99Å; W83-R281 HydrophobicContact CE3-CG 4.28Å; W83-T317 HydrophobicContact CB-CG2 4.04Å; W83-T317 HydrophobicContact CD2-CG2 4.14Å; W83-T317 HydrophobicContact CG-CG2 3.55Å; W83-P319 HydrophobicContact CH2-CB 4.36Å; W83-P319 HydrophobicContact CZ2-CB 3.54Å
84S90.7Very high91Very high48 Ų4858.7 Ų58.734%0.33630%0.295SS..  trans-165.1146.3173.1-176.60000109.4N73 W86N73-S84 PolarHBondContact OD1-O 2.92Å; N73-S84 VanDerWaalsContact OD1-O 3.04Å; S84-W86 VanDerWaalsContact C-N 3.27Å; S84-W86 PolarHBondContact O-N 2.79Å
85D91.8Very high91.4Very high39 Ų3957.2 Ų57.221%0.20930%0.298CS..  trans-8264.1-173.5-61.7-31000113N73 W83 V88 P89 W321N73-D85 PolarHBondContact ND2-OD1 3.06Å; W83-D85 PolarHBondContact NE1-OD1 2.99Å; D85-V88 HydrophobicContact CB-CG2 4.25Å; D85-V88 PolarHBondContact O-N 3.15Å; D85-V88 VanDerWaalsContact O-N 3.11Å; D85-P89 WeakPolarHBondContact O-CD 3.46Å; D85-W321 HydrophobicContact CB-CZ2 3.88Å; D85-W321 PolarHBondContact OD2-NE1 3.25Å
86W91.1Very high91.8Very high81 Ų8158 Ų5831%0.30731%0.313SS..THydrogen-bonded Turntrans-55.4-32-175.4-71.699.2000116.8F72 N73 L76 M80 Y82 S84 V88 P89 I90F72-W86 HydrophobicContact CD1-CB 4.3Å; F72-W86 HydrophobicContact CE1-CB 3.8Å; N73-W86 PolarHBondContact OD1-N 2.82Å; L76-W86 HydrophobicContact CD1-CB 3.56Å; L76-W86 VanDerWaalsContact CD1-CD1 3.44Å; L76-W86 HydrophobicContact CD1-CD2 4.3Å; L76-W86 HydrophobicContact CD1-CG 3.46Å; L76-W86 VanDerWaalsContact CD1-CG 3.46Å; M80-W86 HydrophobicContact CE-CZ2 3.94Å; M80-W86 HydrophobicContact SD-CZ2 4.47Å; Y82-W86 HydrophobicContact CE2-CZ2 4.34Å; Y82-W86 WeakPolarHBondContact OH-CZ2 3.41Å; S84-W86 VanDerWaalsContact C-N 3.27Å; S84-W86 PolarHBondContact O-N 2.79Å; W86-V88 PolarHBondContact O-N 3.3Å; W86-P89 HydrophobicContact CE3-CG 4.44Å; W86-P89 VanDerWaalsContact O-CD 3.23Å; W86-P89 WeakPolarHBondContact O-CD 3.5Å; W86-P89 WeakPolarHBondContact O-CG 3.21Å; W86-I90 HydrophobicContact CB-CD1 4.35Å; W86-I90 WeakPolarHBondContact O-CD1 3.42Å; W86-I90 WeakPolarHBondContact O-CG1 3.39Å; W86-I90 PolarHBondContact O-N 2.82Å
87P92.6Very high92.2Very high0 Ų057.5 Ų57.50%031%0.313CS..Hα-helixtrans-57.6-32.5174.9-2836.7000113.4W62 Y69 F72 N73 I90 L91W62-P87 HydrophobicContact CE3-CB 4.21Å; W62-P87 HydrophobicContact CZ3-CB 3.83Å; W62-P87 HydrophobicContact CZ3-CG 4.16Å; Y69-P87 HydrophobicContact CD1-CB 3.56Å; Y69-P87 HydrophobicContact CD1-CG 3.77Å; Y69-P87 HydrophobicContact CD2-CB 3.59Å; Y69-P87 HydrophobicContact CD2-CG 4.1Å; Y69-P87 HydrophobicContact CE1-CB 3.62Å; Y69-P87 HydrophobicContact CE1-CG 4.32Å; Y69-P87 HydrophobicContact CE2-CB 3.63Å; Y69-P87 HydrophobicContact CG-CB 3.56Å; Y69-P87 HydrophobicContact CG-CG 3.66Å; F72-P87 HydrophobicContact CD1-CG 3.7Å; F72-P87 HydrophobicContact CE1-CG 4.4Å; F72-P87 HydrophobicContact CG-CG 4.49Å; N73-P87 WeakPolarHBondContact OD1-CD 3.47Å; P87-I90 PolarHBondContact O-N 2.78Å; P87-L91 VanDerWaalsContact O-CB 3.23Å; P87-L91 WeakPolarHBondContact O-CB 3.45Å; P87-L91 PolarHBondContact O-N 3.06Å
88V92.6Very high92.6Very high65 Ų6558.8 Ų58.839%0.39432%0.32SS..Hα-helixtrans-65.7-57.3-177.4-178.90000112.4D85 W86 I90 L91 V92 W321D85-V88 HydrophobicContact CB-CG2 4.25Å; D85-V88 PolarHBondContact O-N 3.15Å; D85-V88 VanDerWaalsContact O-N 3.11Å; W86-V88 PolarHBondContact O-N 3.3Å; V88-I90 VanDerWaalsContact C-N 3.29Å; V88-I90 PolarHBondContact O-N 2.8Å; V88-L91 PolarHBondContact O-N 2.83Å; V88-V92 WeakPolarHBondContact O-CB 3.4Å; V88-V92 VanDerWaalsContact O-CG2 3.3Å; V88-V92 WeakPolarHBondContact O-CG2 3.26Å; V88-V92 PolarHBondContact O-N 2.89Å; V88-W321 HydrophobicContact CG2-CH2 3.8Å; V88-W321 HydrophobicContact CG2-CZ2 3.65Å
89P94.8Very high93.1Very high62 Ų6257.4 Ų57.440%0.40332%0.321SS..Hα-helixtrans-65-29.9175.826.2-34.1000112.8D85 W86 T93D85-P89 WeakPolarHBondContact O-CD 3.46Å; W86-P89 HydrophobicContact CE3-CG 4.44Å; W86-P89 VanDerWaalsContact O-CD 3.23Å; W86-P89 WeakPolarHBondContact O-CD 3.5Å; W86-P89 WeakPolarHBondContact O-CG 3.21Å; P89-T93 WeakPolarHBondContact O-CB 3.31Å; P89-T93 VanDerWaalsContact O-CG2 3.31Å; P89-T93 WeakPolarHBondContact O-CG2 3.35Å; P89-T93 PolarHBondContact O-N 2.66Å; P89-T93 PolarHBondContact O-OG1 3.28Å
90I93.8Very high93.6Very high41 Ų4154 Ų5421%0.2131%0.308CS..Hα-helixtrans-67.7-45.1175.2-61.6165.7000110.6W62 F72 W86 P87 V88 T93 T94W62-I90 HydrophobicContact CD2-CB 4.49Å; W62-I90 HydrophobicContact CD2-CG2 3.83Å; W62-I90 HydrophobicContact CE3-CG2 4.43Å; W62-I90 HydrophobicContact CG-CG2 4.29Å; W62-I90 HydrophobicContact CH2-CD1 3.82Å; W62-I90 HydrophobicContact CH2-CG2 4.25Å; W62-I90 HydrophobicContact CZ2-CB 4.33Å; W62-I90 HydrophobicContact CZ2-CD1 3.98Å; W62-I90 HydrophobicContact CZ2-CG2 3.6Å; W62-I90 HydrophobicContact CZ3-CD1 4.49Å; F72-I90 HydrophobicContact CE1-CD1 3.87Å; F72-I90 HydrophobicContact CZ-CD1 4.05Å; W86-I90 HydrophobicContact CB-CD1 4.35Å; W86-I90 WeakPolarHBondContact O-CD1 3.42Å; W86-I90 WeakPolarHBondContact O-CG1 3.39Å; W86-I90 PolarHBondContact O-N 2.82Å; P87-I90 PolarHBondContact O-N 2.78Å; V88-I90 VanDerWaalsContact C-N 3.29Å; V88-I90 PolarHBondContact O-N 2.8Å; I90-T93 PolarHBondContact O-OG1 2.96Å; I90-T93 VanDerWaalsContact O-OG1 3.09Å; I90-T94 WeakPolarHBondContact O-CB 3.46Å; I90-T94 PolarHBondContact O-N 3.01Å; I90-T94 PolarHBondContact O-OG1 2.92Å
91L94.9Very high94.1Very high40 Ų4050.3 Ų50.321%0.20929%0.29CS..Hα-helixtrans-62.9-45175.3178.663.7000111.4L59 W62 P87 V88 T94 A95L59-L91 HydrophobicContact CD1-CD1 3.83Å; W62-L91 HydrophobicContact CB-CD1 3.91Å; P87-L91 VanDerWaalsContact O-CB 3.23Å; P87-L91 WeakPolarHBondContact O-CB 3.45Å; P87-L91 PolarHBondContact O-N 3.06Å; V88-L91 PolarHBondContact O-N 2.83Å; L91-T94 PolarHBondContact O-N 2.94Å; L91-A95 VanDerWaalsContact O-CB 3.27Å; L91-A95 WeakPolarHBondContact O-CB 3.38Å; L91-A95 PolarHBondContact O-N 3.21Å
92V95.9Very high94.7Very high92 Ų9250 Ų5056%0.55829%0.286SS*.Hα-helixtrans-62.4-46.4178.8169.50000111.8V88 A95 A96V88-V92 WeakPolarHBondContact O-CB 3.4Å; V88-V92 VanDerWaalsContact O-CG2 3.3Å; V88-V92 WeakPolarHBondContact O-CG2 3.26Å; V88-V92 PolarHBondContact O-N 2.89Å; V92-A95 PolarHBondContact O-N 3.23Å; V92-A96 WeakPolarHBondContact O-CB 3.31Å; V92-A96 PolarHBondContact O-N 3.42Å
93T95.8Very high95.2Very high90 Ų9046 Ų4655%0.55228%0.28SS*.Hα-helixtrans-67.4-37.617851.30000112.1P89 I90 A96 A97P89-T93 WeakPolarHBondContact O-CB 3.31Å; P89-T93 VanDerWaalsContact O-CG2 3.31Å; P89-T93 WeakPolarHBondContact O-CG2 3.35Å; P89-T93 PolarHBondContact O-N 2.66Å; P89-T93 PolarHBondContact O-OG1 3.28Å; I90-T93 PolarHBondContact O-OG1 2.96Å; I90-T93 VanDerWaalsContact O-OG1 3.09Å; T93-A96 PolarHBondContact O-N 3.25Å; T93-A97 WeakPolarHBondContact O-CB 3.3Å; T93-A97 PolarHBondContact O-N 3.24Å
94T96.1Very high95.6Very high9 Ų944.2 Ų44.26%0.05527%0.274CS..Hα-helixtrans-64.4-45.8174.3-62.80000111.8W58 L59 I90 L91 A96 A97 F98W58-T94 HydrophobicContact CB-CG2 4.46Å; W58-T94 HydrophobicContact CG-CG2 4.09Å; W58-T94 PolarHBondContact NE1-OG1 2.86Å; L59-T94 HydrophobicContact CB-CG2 3.88Å; L59-T94 HydrophobicContact CD1-CG2 4.15Å; I90-T94 WeakPolarHBondContact O-CB 3.46Å; I90-T94 PolarHBondContact O-N 3.01Å; I90-T94 PolarHBondContact O-OG1 2.92Å; L91-T94 PolarHBondContact O-N 2.94Å; T94-A96 PolarHBondContact O-N 3.04Å; T94-A97 PolarHBondContact O-N 3.37Å; T94-F98 WeakPolarHBondContact O-CB 3.41Å; T94-F98 PolarHBondContact O-N 2.85Å
95A97.6Very high95.9Very high38 Ų3842.9 Ų42.931%0.31426%0.263SS..Hα-helixtrans-63.6-40.917700000112L59 L91 V92 A99L59-A95 HydrophobicContact CD1-CB 3.98Å; L91-A95 VanDerWaalsContact O-CB 3.27Å; L91-A95 WeakPolarHBondContact O-CB 3.38Å; L91-A95 PolarHBondContact O-N 3.21Å; V92-A95 PolarHBondContact O-N 3.23Å; A95-A99 VanDerWaalsContact O-CB 3.26Å; A95-A99 WeakPolarHBondContact O-CB 3.42Å; A95-A99 PolarHBondContact O-N 3.44Å
96A97.8Very high96Very high61 Ų6145.1 Ų45.150%0.50428%0.278SS..Hα-helixtrans-64.2-43.2174.900000112.3V92 T93 T94 Y100V92-A96 WeakPolarHBondContact O-CB 3.31Å; V92-A96 PolarHBondContact O-N 3.42Å; T93-A96 PolarHBondContact O-N 3.25Å; T94-A96 PolarHBondContact O-N 3.04Å; A96-Y100 WeakPolarHBondContact O-CB 3.47Å; A96-Y100 PolarHBondContact O-N 2.96Å; A96-Y100 VanDerWaalsContact O-N 3.07Å
97A97.7Very high96.1Very high19 Ų1943 Ų4316%0.15727%0.272CS..Hα-helixtrans-63.5-47.4175.900000111.8T93 T94 Y100 I101 I131T93-A97 WeakPolarHBondContact O-CB 3.3Å; T93-A97 PolarHBondContact O-N 3.24Å; T94-A97 PolarHBondContact O-N 3.37Å; A97-Y100 PolarHBondContact O-N 2.98Å; A97-I101 VanDerWaalsContact O-CG1 3.29Å; A97-I101 WeakPolarHBondContact O-CG1 3.35Å; A97-I101 PolarHBondContact O-N 3.45Å; A97-I131 HydrophobicContact CB-CD1 4.34Å; A97-I131 HydrophobicContact CB-CG1 4.33Å; A97-I131 HydrophobicContact CB-CG2 4.01Å
98F98.2Very high96.2Very high42 Ų4243 Ų4318%0.18427%0.272CS..Hα-helixtrans-58.8-49.2174.9170.9-103.7000111.8F52 L56 L59 T94 Y100 I101 A102F52-F98 AromaticContact CD2-CE2 3.92Å; F52-F98 HydrophobicContact CD2-CE2 3.92Å; F52-F98 HydrophobicContact CE2-CD2 4.43Å; F52-F98 AromaticContact CE2-CE2 3.44Å; F52-F98 HydrophobicContact CE2-CE2 3.44Å; F52-F98 VanDerWaalsContact CE2-CE2 3.44Å; F52-F98 AromaticContact CE2-CZ 3.85Å; F52-F98 HydrophobicContact CE2-CZ 3.85Å; F52-F98 HydrophobicContact CZ-CE2 4.04Å; F52-F98 HydrophobicContact CZ-CZ 4.35Å; L56-F98 HydrophobicContact CB-CD2 4.21Å; L56-F98 HydrophobicContact CB-CE2 3.8Å; L56-F98 HydrophobicContact CD1-CE2 3.77Å; L56-F98 HydrophobicContact CD1-CZ 3.9Å; L56-F98 HydrophobicContact CG-CE2 4.33Å; L59-F98 HydrophobicContact CD2-CB 4.01Å; L59-F98 HydrophobicContact CD2-CD1 3.38Å; L59-F98 HydrophobicContact CD2-CE1 3.97Å; L59-F98 HydrophobicContact CD2-CG 3.7Å; T94-F98 WeakPolarHBondContact O-CB 3.41Å; T94-F98 PolarHBondContact O-N 2.85Å; F98-Y100 VanDerWaalsContact C-N 3.3Å; F98-Y100 PolarHBondContact O-N 2.91Å; F98-I101 PolarHBondContact O-N 2.82Å; F98-A102 HydrophobicContact CE1-CB 4.45Å; F98-A102 HydrophobicContact CE2-CB 4.41Å; F98-A102 HydrophobicContact CZ-CB 4.24Å; F98-A102 VanDerWaalsContact O-CB 3.25Å; F98-A102 WeakPolarHBondContact O-CB 3.42Å; F98-A102 PolarHBondContact O-N 3.37Å
99A98.1Very high96.1Very high60 Ų6041.7 Ų41.750%0.49626%0.263SS..Hα-helixtrans-60.1-39.5-179.400000112.5A95 G103A95-A99 VanDerWaalsContact O-CB 3.26Å; A95-A99 WeakPolarHBondContact O-CB 3.42Å; A95-A99 PolarHBondContact O-N 3.44Å; A99-G103 PolarHBondContact O-N 3.3Å
100Y98Very high96Very high83 Ų8341.4 Ų41.433%0.32526%0.261SS..Hα-helixtrans-64-47.6174.4175.8-97.2000112.4A96 A97 F98 G103 L104 H124 I131A96-Y100 WeakPolarHBondContact O-CB 3.47Å; A96-Y100 PolarHBondContact O-N 2.96Å; A96-Y100 VanDerWaalsContact O-N 3.07Å; A97-Y100 PolarHBondContact O-N 2.98Å; F98-Y100 VanDerWaalsContact C-N 3.3Å; F98-Y100 PolarHBondContact O-N 2.91Å; Y100-G103 PolarHBondContact O-N 3.4Å; Y100-L104 HydrophobicContact CD1-CD1 4.07Å; Y100-L104 HydrophobicContact CE1-CD1 3.52Å; Y100-L104 HydrophobicContact CE1-CG 4.45Å; Y100-L104 WeakPolarHBondContact O-CG 3.03Å; Y100-L104 PolarHBondContact O-N 3.2Å; Y100-H124 AromaticContact CZ-ND1 3.67Å; Y100-H124 PolarHBondContact OH-ND1 3.38Å; Y100-I131 HydrophobicContact CD1-CD1 3.53Å; Y100-I131 HydrophobicContact CE1-CD1 3.95Å; Y100-I131 HydrophobicContact CG-CD1 4.45Å
101I98.3Very high95.7Very high0 Ų039.7 Ų39.70%025%0.253CS..Hα-helixtrans-65.9-42.8179-67.5-65.2000111.4L48 T51 F52 A97 F98 L104 L105 L128 I131L48-I101 HydrophobicContact CD1-CD1 4.3Å; L48-I101 HydrophobicContact CD1-CG2 4.1Å; T51-I101 HydrophobicContact CG2-CD1 4.02Å; T51-I101 HydrophobicContact CG2-CG1 4.23Å; T51-I101 HydrophobicContact CG2-CG2 4.47Å; F52-I101 HydrophobicContact CB-CG2 3.76Å; F52-I101 HydrophobicContact CD2-CG2 4.44Å; A97-I101 VanDerWaalsContact O-CG1 3.29Å; A97-I101 WeakPolarHBondContact O-CG1 3.35Å; A97-I101 PolarHBondContact O-N 3.45Å; F98-I101 PolarHBondContact O-N 2.82Å; I101-L104 PolarHBondContact O-N 2.61Å; I101-L105 PolarHBondContact O-N 2.78Å; I101-L128 HydrophobicContact CD1-CD1 3.64Å; I101-I131 HydrophobicContact CD1-CB 4.49Å; I101-I131 HydrophobicContact CD1-CD1 4.08Å; I101-I131 HydrophobicContact CD1-CG2 4.26Å; I101-I131 HydrophobicContact CG1-CD1 4.1Å; I101-I131 HydrophobicContact CG1-CG2 3.94Å
102A97.5Very high95.4Very high19 Ų1939.2 Ų39.216%0.15725%0.25CC..Hα-helixtrans-60.6-44174.200000111.6F52 F98 L104 L105 V106F52-A102 HydrophobicContact CD2-CB 4.06Å; F52-A102 HydrophobicContact CE2-CB 3.78Å; F98-A102 HydrophobicContact CE1-CB 4.45Å; F98-A102 HydrophobicContact CE2-CB 4.41Å; F98-A102 HydrophobicContact CZ-CB 4.24Å; F98-A102 VanDerWaalsContact O-CB 3.25Å; F98-A102 WeakPolarHBondContact O-CB 3.42Å; F98-A102 PolarHBondContact O-N 3.37Å; A102-L104 PolarHBondContact O-N 2.89Å; A102-L105 PolarHBondContact O-N 2.79Å; A102-V106 WeakPolarHBondContact O-CG2 3.36Å; A102-V106 PolarHBondContact O-N 3.44Å
103G96.9Very high94.8Very high34 Ų3436.8 Ų36.835%0.35124%0.24SC..Hα-helixtrans-59.6-44.9174.500000112.7A99 Y100 L105 V106 L107A99-G103 PolarHBondContact O-N 3.3Å; Y100-G103 PolarHBondContact O-N 3.4Å; G103-L105 PolarHBondContact O-N 3.38Å; G103-V106 PolarHBondContact O-N 3.5Å; G103-L107 WeakPolarHBondContact O-CB 3.22Å; G103-L107 VanDerWaalsContact O-CG 3.27Å; G103-L107 WeakPolarHBondContact O-CG 3.32Å; G103-L107 PolarHBondContact O-N 2.83Å
104L96.9Very high94.3Very high6 Ų636.6 Ų36.63%0.03124%0.238CC..Hα-helixtrans-63-39.2174.2-73.1179000112.5Y23 L48 Y100 I101 A102 L107 A108 L120 H124Y23-L104 HydrophobicContact CD2-CD2 4.32Å; Y23-L104 WeakPolarHBondContact CE2-O 3.46Å; L48-L104 HydrophobicContact CD1-CB 3.86Å; L48-L104 HydrophobicContact CD1-CD1 4.46Å; L48-L104 HydrophobicContact CD2-CB 4.14Å; Y100-L104 HydrophobicContact CD1-CD1 4.07Å; Y100-L104 HydrophobicContact CE1-CD1 3.52Å; Y100-L104 HydrophobicContact CE1-CG 4.45Å; Y100-L104 WeakPolarHBondContact O-CG 3.03Å; Y100-L104 PolarHBondContact O-N 3.2Å; I101-L104 PolarHBondContact O-N 2.61Å; A102-L104 PolarHBondContact O-N 2.89Å; L104-L107 PolarHBondContact O-N 2.73Å; L104-A108 WeakPolarHBondContact O-CB 3.26Å; L104-A108 PolarHBondContact O-N 3.05Å; L104-L120 HydrophobicContact CD2-CD1 4.17Å; L104-H124 HydrophobicContact CD1-CB 4.05Å; L104-H124 HydrophobicContact CD2-CB 4.28Å
105L96.6Very high93.5Very high19 Ų1937.6 Ų37.610%0.09925%0.25CS..Hα-helixtrans-66.7-44.3177.6-177.261.7000111.6F45 L48 F52 I101 A102 G103 L107 A108 L109F45-L105 HydrophobicContact CE2-CD1 3.87Å; F45-L105 HydrophobicContact CZ-CD1 4.3Å; L48-L105 HydrophobicContact CD2-CB 4.49Å; L48-L105 HydrophobicContact CG-CB 4.44Å; L48-L105 HydrophobicContact CG-CD1 4.47Å; F52-L105 HydrophobicContact CB-CD2 3.86Å; F52-L105 HydrophobicContact CD1-CD2 3.73Å; F52-L105 HydrophobicContact CD2-CD2 3.84Å; F52-L105 HydrophobicContact CE1-CD2 4.24Å; F52-L105 HydrophobicContact CE2-CD2 4.32Å; F52-L105 HydrophobicContact CG-CD2 3.51Å; I101-L105 PolarHBondContact O-N 2.78Å; A102-L105 PolarHBondContact O-N 2.79Å; G103-L105 PolarHBondContact O-N 3.38Å; L105-L107 VanDerWaalsContact C-N 3.33Å; L105-L107 PolarHBondContact O-N 3.47Å; L105-A108 WeakPolarHBondContact O-CB 3.37Å; L105-A108 PolarHBondContact O-N 2.98Å; L105-L109 HydrophobicContact CG-CD1 4.33Å; L105-L109 WeakPolarHBondContact O-CG 3.49Å; L105-L109 PolarHBondContact O-N 3.19Å
106V94.9Very high92.8Very high87 Ų8736.2 Ų36.253%0.52724%0.237SC..Hα-helixtrans-60.2-43.3174.4170.30000111A102 G103 L109 C110A102-V106 WeakPolarHBondContact O-CG2 3.36Å; A102-V106 PolarHBondContact O-N 3.44Å; G103-V106 PolarHBondContact O-N 3.5Å; V106-L109 PolarHBondContact O-N 2.95Å; V106-C110 PolarHBondContact O-N 2.78Å; V106-C110 PolarHBondContact O-SG 2.87Å; V106-C110 VanDerWaalsContact O-SG 3.39Å
107L94.1Very high92.1Very high35 Ų3534.4 Ų34.418%0.18322%0.218CC..Hα-helixtrans-60.5-45.9174-71.3166.9000111.4L19 I22 Y23 G103 L104 L105 L109 C110 H111L19-L107 HydrophobicContact CD1-CB 4.44Å; L19-L107 HydrophobicContact CD1-CD2 3.75Å; I22-L107 HydrophobicContact CB-CD1 4.3Å; I22-L107 HydrophobicContact CG2-CD1 3.6Å; Y23-L107 HydrophobicContact CD2-CB 3.72Å; Y23-L107 HydrophobicContact CE2-CB 4.49Å; Y23-L107 HydrophobicContact CG-CB 4.4Å; G103-L107 WeakPolarHBondContact O-CB 3.22Å; G103-L107 VanDerWaalsContact O-CG 3.27Å; G103-L107 WeakPolarHBondContact O-CG 3.32Å; G103-L107 PolarHBondContact O-N 2.83Å; L104-L107 PolarHBondContact O-N 2.73Å; L105-L107 VanDerWaalsContact C-N 3.33Å; L105-L107 PolarHBondContact O-N 3.47Å; L107-L109 PolarHBondContact O-N 3.15Å; L107-C110 WeakPolarHBondContact O-CB 3.41Å; L107-C110 PolarHBondContact O-N 3.49Å; L107-C110 VanDerWaalsContact O-N 3.15Å; L107-H111 PolarHBondContact O-CD2 2.76Å; L107-H111 VanDerWaalsContact O-CD2 3.27Å; L107-H111 PolarHBondContact O-N 3.39Å
108A93.1Very high91.6Very high0 Ų034.1 Ų34.10%021%0.214CC..Hα-helixtrans-59.8-43.7176.800000112.3Y23 F45 L48 L104 L105 C110 H111 I112 M118Y23-A108 HydrophobicContact CE2-CB 3.76Å; F45-A108 HydrophobicContact CD2-CB 3.75Å; F45-A108 HydrophobicContact CE2-CB 3.79Å; L48-A108 HydrophobicContact CD2-CB 4.24Å; L104-A108 WeakPolarHBondContact O-CB 3.26Å; L104-A108 PolarHBondContact O-N 3.05Å; L105-A108 WeakPolarHBondContact O-CB 3.37Å; L105-A108 PolarHBondContact O-N 2.98Å; A108-C110 VanDerWaalsContact C-N 3.31Å; A108-C110 PolarHBondContact O-N 3.35Å; A108-H111 WeakPolarHBondContact O-CB 3.47Å; A108-H111 PolarHBondContact O-N 3.31Å; A108-H111 VanDerWaalsContact O-N 3.13Å; A108-I112 WeakPolarHBondContact O-CG1 3.34Å; A108-I112 PolarHBondContact O-N 3.26Å; A108-M118 HydrophobicContact CB-SD 4.38Å
109L92.1Very high91.1Very high39 Ų3934 Ų3420%0.20422%0.215CC..Hα-helixtrans-60.7-39174.3-70.3171.4000112F45 L105 V106 L107 I112 A113 L175 I178F45-L109 HydrophobicContact CZ-CD2 4.39Å; L105-L109 HydrophobicContact CG-CD1 4.33Å; L105-L109 WeakPolarHBondContact O-CG 3.49Å; L105-L109 PolarHBondContact O-N 3.19Å; V106-L109 PolarHBondContact O-N 2.95Å; L107-L109 PolarHBondContact O-N 3.15Å; L109-I112 HydrophobicContact CD2-CD1 4.48Å; L109-I112 PolarHBondContact O-N 2.96Å; L109-A113 WeakPolarHBondContact O-CB 3.3Å; L109-A113 PolarHBondContact O-N 3.41Å; L109-L175 HydrophobicContact CD1-CD2 3.87Å; L109-L175 HydrophobicContact CD2-CD2 3.98Å; L109-I178 HydrophobicContact CB-CD1 3.89Å; L109-I178 HydrophobicContact CD2-CD1 4.23Å
110C90.7Very high90.8Very high55 Ų5531.1 Ų31.137%0.37219%0.192SC..Hα-helixtrans-65.5-37.5172.6-73.70000112.9L19 V106 L107 A108 A113 V114L19-C110 HydrophobicContact CD1-CB 3.55Å; L19-C110 HydrophobicContact CD2-CB 3.99Å; L19-C110 HydrophobicContact CG-CB 4.45Å; V106-C110 PolarHBondContact O-N 2.78Å; V106-C110 PolarHBondContact O-SG 2.87Å; V106-C110 VanDerWaalsContact O-SG 3.39Å; L107-C110 WeakPolarHBondContact O-CB 3.41Å; L107-C110 PolarHBondContact O-N 3.49Å; L107-C110 VanDerWaalsContact O-N 3.15Å; A108-C110 VanDerWaalsContact C-N 3.31Å; A108-C110 PolarHBondContact O-N 3.35Å; C110-A113 PolarHBondContact O-N 3.17Å; C110-V114 WeakPolarHBondContact O-CG2 3.4Å; C110-V114 PolarHBondContact O-N 2.72Å
111H88.8Confident90.6Very high5 Ų529.1 Ų29.12%0.02319%0.185CC..Hα-helixtrans-61.3-44.1171.3-84.8-98.3000111.4L19 Y23 L107 A108 V114 G115 Q116 M118L19-H111 PolarHBondContact O-NE2 2.91Å; Y23-H111 WeakPolarHBondContact CB-NE2 3.5Å; Y23-H111 AromaticContact CD1-CD2 3.97Å; Y23-H111 AromaticContact CD1-NE2 3.74Å; Y23-H111 AromaticContact CG-CD2 3.97Å; Y23-H111 AromaticContact CG-NE2 3.77Å; L107-H111 PolarHBondContact O-CD2 2.76Å; L107-H111 VanDerWaalsContact O-CD2 3.27Å; L107-H111 PolarHBondContact O-N 3.39Å; A108-H111 WeakPolarHBondContact O-CB 3.47Å; A108-H111 PolarHBondContact O-N 3.31Å; A108-H111 VanDerWaalsContact O-N 3.13Å; H111-V114 PolarHBondContact O-N 3.33Å; H111-G115 PolarHBondContact O-N 2.94Å; H111-Q116 HydrophobicContact CB-CB 4.35Å; H111-Q116 WeakPolarHBondContact ND1-CB 3.39Å; H111-Q116 PolarHBondContact O-N 2.73Å; H111-M118 HydrophobicContact CB-CG 4.18Å
112I87.4Confident90.4Very high30 Ų3036.9 Ų36.915%0.15421%0.214CC..Hα-helixtrans-62.1-42.5174.6-63.5169.5000111F45 A108 L109 G115 M118 I178 Q182 R185F45-I112 HydrophobicContact CE1-CD1 4.41Å; F45-I112 HydrophobicContact CE2-CD1 3.93Å; F45-I112 HydrophobicContact CZ-CD1 3.86Å; A108-I112 WeakPolarHBondContact O-CG1 3.34Å; A108-I112 PolarHBondContact O-N 3.26Å; L109-I112 HydrophobicContact CD2-CD1 4.48Å; L109-I112 PolarHBondContact O-N 2.96Å; I112-G115 PolarHBondContact O-N 2.88Å; I112-M118 HydrophobicContact CD1-CE 4.28Å; I112-M118 HydrophobicContact CD1-SD 3.64Å; I112-M118 HydrophobicContact CG1-CE 4.3Å; I112-M118 HydrophobicContact CG1-CG 4.27Å; I112-M118 HydrophobicContact CG1-SD 3.49Å; I112-M118 WeakPolarHBondContact CG1-SD 3.31Å; I112-I178 HydrophobicContact CB-CG2 4.19Å; I112-I178 HydrophobicContact CG2-CG2 3.53Å; I112-Q182 HydrophobicContact CG2-CG 3.71Å; I112-Q182 VanDerWaalsContact CG2-NE2 3.32Å; I112-Q182 PolarHBondContact O-NE2 2.99Å; I112-R185 PolarHBondContact O-NH1 3.42Å; I112-R185 PolarHBondContact O-NH2 2.95Å
113A85.2Confident90.3Very high42 Ų4240.6 Ų40.635%0.34723%0.231SC..Hα-helixtrans-60.2-50.9177.900000111.2L109 C110 G115 I178 R185L109-A113 WeakPolarHBondContact O-CB 3.3Å; L109-A113 PolarHBondContact O-N 3.41Å; C110-A113 PolarHBondContact O-N 3.17Å; A113-G115 VanDerWaalsContact C-N 3.33Å; A113-G115 PolarHBondContact O-N 2.74Å; A113-I178 HydrophobicContact CB-CG1 4.41Å; A113-R185 PolarHBondContact O-NH1 2.69Å; A113-R185 PolarHBondContact O-NH2 3.14Å; A113-R185 VanDerWaalsContact O-NH2 3.1Å
114V84.4Confident90.3Very high85 Ų8540.1 Ų40.152%0.51522%0.22SC..Hα-helixtrans-76.4-17.6-178.5-176.10000113.1L16 L19 C110 H111 Q116L16-V114 HydrophobicContact CD1-CG1 4.02Å; L19-V114 HydrophobicContact CD2-CG2 4.18Å; C110-V114 WeakPolarHBondContact O-CG2 3.4Å; C110-V114 PolarHBondContact O-N 2.72Å; H111-V114 PolarHBondContact O-N 3.33Å; V114-Q116 HydrophobicContact CB-CG 4.43Å; V114-Q116 HydrophobicContact CG1-CG 4.16Å
115G78.4Confident90.2Very high30 Ų3042 Ų4231%0.30923%0.228SC..THydrogen-bonded Turntrans76.348.4-176.100000112H111 I112 A113H111-G115 PolarHBondContact O-N 2.94Å; I112-G115 PolarHBondContact O-N 2.88Å; A113-G115 VanDerWaalsContact C-N 3.33Å; A113-G115 PolarHBondContact O-N 2.74Å
116Q83.1Confident90.3Very high9 Ų945.5 Ų45.54%0.04225%0.246CC..  trans-108.1152.5171.8-67.6-67.2-84.700110.5L16 T20 H34 H111 V114 M118L16-Q116 HydrophobicContact CD1-CG 3.73Å; T20-Q116 HydrophobicContact CG2-CG 4.49Å; H34-Q116 PolarHBondContact CE1-NE2 2.77Å; H34-Q116 PolarHBondContact ND1-NE2 3.03Å; H111-Q116 HydrophobicContact CB-CB 4.35Å; H111-Q116 WeakPolarHBondContact ND1-CB 3.39Å; H111-Q116 PolarHBondContact O-N 2.73Å; V114-Q116 HydrophobicContact CB-CG 4.43Å; V114-Q116 HydrophobicContact CG1-CG 4.16Å; Q116-M118 PolarHBondContact O-N 3.02Å
117Q83.6Confident90.4Very high23 Ų2342.2 Ų42.211%0.10723%0.23CC..  trans-62.1125.4174.2-169.1-168.618.300111.2E41 N119E41-Q117 VanDerWaalsContact CD-NE2 3.33Å; E41-Q117 VanDerWaalsContact OE1-CD 3.27Å; E41-Q117 WeakPolarHBondContact OE1-CG 3.46Å; E41-Q117 PolarHBondContact OE1-NE2 3.25Å; E41-Q117 PolarHBondContact OE2-NE2 2.67Å; Q117-N119 PolarHBondContact O-N 3.21Å
118M86.8Confident90.5Very high14 Ų1440.6 Ų40.67%0.06922%0.221CC..  trans-74.254.3177.8-60.4-166.9-71.600113.8Y23 T37 F45 A108 H111 I112 Q116 L120Y23-M118 HydrophobicContact CE1-CB 4.32Å; T37-M118 HydrophobicContact CG2-CB 3.89Å; T37-M118 HydrophobicContact CG2-CE 3.83Å; T37-M118 HydrophobicContact CG2-CG 4.3Å; T37-M118 PolarHBondContact OG1-N 2.69Å; F45-M118 HydrophobicContact CB-CE 3.84Å; F45-M118 HydrophobicContact CB-SD 4.28Å; F45-M118 HydrophobicContact CD1-CE 4.4Å; F45-M118 HydrophobicContact CD2-CE 4.23Å; F45-M118 HydrophobicContact CD2-SD 3.74Å; F45-M118 HydrophobicContact CE2-SD 4.31Å; F45-M118 HydrophobicContact CG-CE 3.89Å; F45-M118 HydrophobicContact CG-SD 4.04Å; A108-M118 HydrophobicContact CB-SD 4.38Å; H111-M118 HydrophobicContact CB-CG 4.18Å; I112-M118 HydrophobicContact CD1-CE 4.28Å; I112-M118 HydrophobicContact CD1-SD 3.64Å; I112-M118 HydrophobicContact CG1-CE 4.3Å; I112-M118 HydrophobicContact CG1-CG 4.27Å; I112-M118 HydrophobicContact CG1-SD 3.49Å; I112-M118 WeakPolarHBondContact CG1-SD 3.31Å; Q116-M118 PolarHBondContact O-N 3.02Å; M118-L120 PolarHBondContact O-N 3.3Å
119N87.5Confident90.7Very high38 Ų3843.9 Ų43.920%0.20324%0.241CC..  trans-76.588.9176.3-179.135.5000111.8G24 R26 E41 Q117 H121G24-N119 WeakPolarHBondContact CA-O 3.03Å; R26-N119 PolarHBondContact NE-ND2 3.15Å; R26-N119 VanDerWaalsContact NE-ND2 3.19Å; R26-N119 PolarHBondContact NH2-ND2 3.01Å; E41-N119 WeakPolarHBondContact OE1-CA 3.43Å; E41-N119 VanDerWaalsContact OE1-CB 3.25Å; E41-N119 WeakPolarHBondContact OE1-CB 3.5Å; E41-N119 PolarHBondContact OE1-N 3.34Å; Q117-N119 PolarHBondContact O-N 3.21Å; N119-H121 PolarHBondContact O-N 2.94Å
120L92.6Very high91Very high1 Ų146.1 Ų46.11%0.00526%0.256CS..  trans-65.7124.5172.5-173.667.5000110.3Y23 L104 M118 H124 K125 L128Y23-L120 HydrophobicContact CD2-CD1 4.01Å; Y23-L120 HydrophobicContact CE1-CB 3.95Å; Y23-L120 HydrophobicContact CE1-CD1 4.18Å; Y23-L120 HydrophobicContact CE2-CD1 3.55Å; L104-L120 HydrophobicContact CD2-CD1 4.17Å; M118-L120 PolarHBondContact O-N 3.3Å; L120-H124 HydrophobicContact CD1-CB 3.53Å; L120-H124 HydrophobicContact CD2-CB 4.44Å; L120-H124 HydrophobicContact CG-CB 3.86Å; L120-K125 HydrophobicContact CB-CG 4.38Å; L120-K125 HydrophobicContact CD2-CG 3.81Å; L120-K125 HydrophobicContact CG-CG 4.05Å; L120-K125 WeakPolarHBondContact O-CE 3.18Å; L120-K125 PolarHBondContact O-NZ 2.92Å; L120-L128 HydrophobicContact CD2-CD2 4.19Å
121H93.6Very high91.4Very high41 Ų4144.6 Ų44.619%0.1924%0.244CC..  trans-60.9150.7-179.6-170-115.4000112.3Y23 C25 N119 L123 H124 K125Y23-H121 PolarHBondContact O-N 3Å; C25-H121 VanDerWaalsContact SG-CG 3.56Å; N119-H121 PolarHBondContact O-N 2.94Å; H121-L123 VanDerWaalsContact C-N 3.26Å; H121-L123 WeakPolarHBondContact ND1-CB 3.39Å; H121-L123 PolarHBondContact ND1-N 2.83Å; H121-L123 PolarHBondContact O-N 2.75Å; H121-H124 PolarHBondContact O-N 2.82Å; H121-K125 PolarHBondContact O-N 2.91Å
122W93.9Very high91.8Very high162 Ų16245.6 Ų45.661%0.61425%0.249SC*.Hα-helixtrans-60.9-34.2-176.669.9-91.6000113H124 K125 I126W122-H124 VanDerWaalsContact C-N 3.35Å; W122-H124 PolarHBondContact O-N 2.92Å; W122-K125 WeakPolarHBondContact O-CB 3.37Å; W122-K125 PolarHBondContact O-N 3Å; W122-I126 HydrophobicContact CE3-CD1 3.57Å; W122-I126 HydrophobicContact CE3-CG1 4.48Å; W122-I126 HydrophobicContact CZ3-CD1 3.61Å; W122-I126 WeakPolarHBondContact O-CG1 3.21Å; W122-I126 PolarHBondContact O-N 2.88Å
123L95.2Very high92.3Very high97 Ų9746.8 Ų46.851%0.50826%0.263SS..Hα-helixtrans-60.1-43.8173.5-167.981.2000111.7H121 I126 G127H121-L123 VanDerWaalsContact C-N 3.26Å; H121-L123 WeakPolarHBondContact ND1-CB 3.39Å; H121-L123 PolarHBondContact ND1-N 2.83Å; H121-L123 PolarHBondContact O-N 2.75Å; L123-I126 PolarHBondContact O-N 2.96Å; L123-G127 PolarHBondContact O-N 2.9Å
124H96.6Very high92.9Very high25 Ų2547.8 Ų47.812%0.11627%0.268CS..Hα-helixtrans-71-32.6177.4-61.4-54.3000112.2I22 Y23 Y100 L104 L120 H121 W122 G127 L128I22-H124 PolarHBondContact O-NE2 3.27Å; Y23-H124 PolarHBondContact O-CD2 3.35Å; Y100-H124 AromaticContact CZ-ND1 3.67Å; Y100-H124 PolarHBondContact OH-ND1 3.38Å; L104-H124 HydrophobicContact CD1-CB 4.05Å; L104-H124 HydrophobicContact CD2-CB 4.28Å; L120-H124 HydrophobicContact CD1-CB 3.53Å; L120-H124 HydrophobicContact CD2-CB 4.44Å; L120-H124 HydrophobicContact CG-CB 3.86Å; H121-H124 PolarHBondContact O-N 2.82Å; W122-H124 VanDerWaalsContact C-N 3.35Å; W122-H124 PolarHBondContact O-N 2.92Å; H124-G127 PolarHBondContact O-N 2.95Å; H124-L128 WeakPolarHBondContact O-CB 3.12Å; H124-L128 PolarHBondContact O-N 3.23Å
125K96.6Very high93.5Very high44 Ų4444 Ų4419%0.19125%0.245CC..Hα-helixtrans-61.7-43.8171.3-71.1170.8170141.40111.5W44 L120 H121 W122 V129W44-K125 HydrophobicContact CD2-CD 4.1Å; W44-K125 HydrophobicContact CD2-CG 3.84Å; W44-K125 HydrophobicContact CE3-CB 4.27Å; W44-K125 HydrophobicContact CE3-CG 3.85Å; W44-K125 HydrophobicContact CG-CG 4.48Å; W44-K125 HydrophobicContact CH2-CB 3.79Å; W44-K125 HydrophobicContact CH2-CG 4.08Å; W44-K125 HydrophobicContact CZ2-CB 4.13Å; W44-K125 HydrophobicContact CZ2-CD 4.03Å; W44-K125 HydrophobicContact CZ2-CG 4.07Å; W44-K125 HydrophobicContact CZ3-CB 3.86Å; W44-K125 HydrophobicContact CZ3-CG 3.96Å; L120-K125 HydrophobicContact CB-CG 4.38Å; L120-K125 HydrophobicContact CD2-CG 3.81Å; L120-K125 HydrophobicContact CG-CG 4.05Å; L120-K125 WeakPolarHBondContact O-CE 3.18Å; L120-K125 PolarHBondContact O-NZ 2.92Å; H121-K125 PolarHBondContact O-N 2.91Å; W122-K125 WeakPolarHBondContact O-CB 3.37Å; W122-K125 PolarHBondContact O-N 3Å; K125-V129 WeakPolarHBondContact O-CG2 3.33Å; K125-V129 PolarHBondContact O-N 3.15Å; K125-V129 VanDerWaalsContact O-N 3.09Å
126I96.8Very high94.3Very high94 Ų9445.8 Ų45.848%0.48225%0.25SC..Hα-helixtrans-63.5-50.9173.6-67175.8000110.5W122 L123 L128 V129 V130W122-I126 HydrophobicContact CE3-CD1 3.57Å; W122-I126 HydrophobicContact CE3-CG1 4.48Å; W122-I126 HydrophobicContact CZ3-CD1 3.61Å; W122-I126 WeakPolarHBondContact O-CG1 3.21Å; W122-I126 PolarHBondContact O-N 2.88Å; L123-I126 PolarHBondContact O-N 2.96Å; I126-L128 VanDerWaalsContact C-N 3.3Å; I126-L128 PolarHBondContact O-N 3.04Å; I126-V129 PolarHBondContact O-N 2.85Å; I126-V129 VanDerWaalsContact O-N 3.15Å; I126-V130 HydrophobicContact CG2-CG2 4.13Å; I126-V130 WeakPolarHBondContact O-CG2 3.23Å; I126-V130 PolarHBondContact O-N 2.89Å
127G96.9Very high95Very high18 Ų1850.1 Ų50.119%0.18628%0.276CS..Hα-helixtrans-56.1-42.9178.900000112.9L123 H124 V130 I131L123-G127 PolarHBondContact O-N 2.9Å; H124-G127 PolarHBondContact O-N 2.95Å; G127-V130 PolarHBondContact O-N 2.93Å; G127-I131 WeakPolarHBondContact O-CB 3.42Å; G127-I131 VanDerWaalsContact O-CG1 3.26Å; G127-I131 WeakPolarHBondContact O-CG1 3.41Å; G127-I131 PolarHBondContact O-N 3.01Å
128L97.7Very high95.4Very high0 Ų050.6 Ų50.60%029%0.285CS..Hα-helixtrans-60.3-47.7174.9174.461.8000112.3W44 L47 L48 T51 I101 L120 H124 I126 L132W44-L128 HydrophobicContact CE3-CD2 3.83Å; W44-L128 HydrophobicContact CZ3-CD2 4.06Å; L47-L128 HydrophobicContact CB-CD2 4.46Å; L47-L128 HydrophobicContact CD2-CD2 4.17Å; L47-L128 HydrophobicContact CD2-CG 4.43Å; L47-L128 HydrophobicContact CG-CD2 4.31Å; L48-L128 HydrophobicContact CB-CD1 4.49Å; L48-L128 HydrophobicContact CB-CD2 4.1Å; L48-L128 HydrophobicContact CD1-CD1 4.01Å; T51-L128 HydrophobicContact CG2-CD1 3.83Å; T51-L128 WeakPolarHBondContact OG1-CD1 3.39Å; I101-L128 HydrophobicContact CD1-CD1 3.64Å; L120-L128 HydrophobicContact CD2-CD2 4.19Å; H124-L128 WeakPolarHBondContact O-CB 3.12Å; H124-L128 PolarHBondContact O-N 3.23Å; I126-L128 VanDerWaalsContact C-N 3.3Å; I126-L128 PolarHBondContact O-N 3.04Å; L128-L132 VanDerWaalsContact O-CB 3.25Å; L128-L132 WeakPolarHBondContact O-CB 3.38Å; L128-L132 PolarHBondContact O-N 3.04Å
129V97.8Very high95.7Very high69 Ų6951.5 Ų51.542%0.41829%0.289SS..Hα-helixtrans-65.9-40.9178.2171.60000111.5W44 K125 I126 L132 A133W44-V129 HydrophobicContact CH2-CG2 3.86Å; W44-V129 HydrophobicContact CZ3-CG2 3.91Å; K125-V129 WeakPolarHBondContact O-CG2 3.33Å; K125-V129 PolarHBondContact O-N 3.15Å; K125-V129 VanDerWaalsContact O-N 3.09Å; I126-V129 PolarHBondContact O-N 2.85Å; I126-V129 VanDerWaalsContact O-N 3.15Å; V129-L132 PolarHBondContact O-N 2.89Å; V129-A133 VanDerWaalsContact O-CB 3.27Å; V129-A133 WeakPolarHBondContact O-CB 3.37Å; V129-A133 PolarHBondContact O-N 3.48Å
130V97.8Very high95.9Very high87 Ų8752.3 Ų52.353%0.52730%0.298SS..Hα-helixtrans-64-47.4177.6170.70000111.1I126 G127 A133 S134I126-V130 HydrophobicContact CG2-CG2 4.13Å; I126-V130 WeakPolarHBondContact O-CG2 3.23Å; I126-V130 PolarHBondContact O-N 2.89Å; G127-V130 PolarHBondContact O-N 2.93Å; V130-A133 PolarHBondContact O-N 3.44Å; V130-S134 WeakPolarHBondContact O-CB 3.28Å; V130-S134 PolarHBondContact O-N 3.3Å; V130-S134 PolarHBondContact O-OG 2.84Å; V130-S134 VanDerWaalsContact O-OG 3.07Å
131I98.2Very high95.8Very high23 Ų2354.1 Ų54.112%0.11831%0.313CS..Hα-helixtrans-64-41.9177.8-71.3167.3000111.2T51 T55 A97 Y100 I101 G127 S134 T135T51-I131 HydrophobicContact CG2-CG2 4.15Å; T55-I131 HydrophobicContact CG2-CG2 3.78Å; A97-I131 HydrophobicContact CB-CD1 4.34Å; A97-I131 HydrophobicContact CB-CG1 4.33Å; A97-I131 HydrophobicContact CB-CG2 4.01Å; Y100-I131 HydrophobicContact CD1-CD1 3.53Å; Y100-I131 HydrophobicContact CE1-CD1 3.95Å; Y100-I131 HydrophobicContact CG-CD1 4.45Å; I101-I131 HydrophobicContact CD1-CB 4.49Å; I101-I131 HydrophobicContact CD1-CD1 4.08Å; I101-I131 HydrophobicContact CD1-CG2 4.26Å; I101-I131 HydrophobicContact CG1-CD1 4.1Å; I101-I131 HydrophobicContact CG1-CG2 3.94Å; G127-I131 WeakPolarHBondContact O-CB 3.42Å; G127-I131 VanDerWaalsContact O-CG1 3.26Å; G127-I131 WeakPolarHBondContact O-CG1 3.41Å; G127-I131 PolarHBondContact O-N 3.01Å; I131-S134 PolarHBondContact O-OG 2.53Å; I131-T135 VanDerWaalsContact O-CB 3.25Å; I131-T135 WeakPolarHBondContact O-CB 3.5Å; I131-T135 PolarHBondContact O-N 3.45Å; I131-T135 PolarHBondContact O-OG1 2.93Å
132L97.9Very high95.6Very high26 Ų2652.8 Ų52.814%0.13631%0.308CS..Hα-helixtrans-62.6-50.4176.8176.658.6000111.1L47 F50 T51 L54 L128 V129 T135 V136L47-L132 HydrophobicContact CD1-CD2 3.54Å; L47-L132 HydrophobicContact CG-CD2 4.19Å; F50-L132 HydrophobicContact CD1-CD1 4.06Å; F50-L132 HydrophobicContact CE1-CD1 3.93Å; T51-L132 HydrophobicContact CG2-CB 3.97Å; T51-L132 HydrophobicContact CG2-CD1 4.33Å; L54-L132 HydrophobicContact CD2-CD1 3.72Å; L128-L132 VanDerWaalsContact O-CB 3.25Å; L128-L132 WeakPolarHBondContact O-CB 3.38Å; L128-L132 PolarHBondContact O-N 3.04Å; V129-L132 PolarHBondContact O-N 2.89Å; L132-T135 PolarHBondContact O-N 3.1Å; L132-V136 HydrophobicContact CD1-CG2 4.1Å; L132-V136 WeakPolarHBondContact O-CG2 3.43Å; L132-V136 PolarHBondContact O-N 3.5Å
133A97.9Very high95.3Very high54 Ų5447 Ų4745%0.44629%0.294SS..Hα-helixtrans-62.5-44.5-179.900000112V129 V130 V136 V137V129-A133 VanDerWaalsContact O-CB 3.27Å; V129-A133 WeakPolarHBondContact O-CB 3.37Å; V129-A133 PolarHBondContact O-N 3.48Å; V130-A133 PolarHBondContact O-N 3.44Å; A133-V136 PolarHBondContact O-N 2.92Å; A133-V137 WeakPolarHBondContact O-CB 3.42Å; A133-V137 VanDerWaalsContact O-CG2 3.28Å; A133-V137 WeakPolarHBondContact O-CG2 3.38Å; A133-V137 PolarHBondContact O-N 3.47Å
134S97Very high95Very high63 Ų6350.2 Ų50.244%0.44131%0.306SS..Hα-helixtrans-66.4-38.3178.666.10000112.2V130 I131 V137 A138V130-S134 WeakPolarHBondContact O-CB 3.28Å; V130-S134 PolarHBondContact O-N 3.3Å; V130-S134 PolarHBondContact O-OG 2.84Å; V130-S134 VanDerWaalsContact O-OG 3.07Å; I131-S134 PolarHBondContact O-OG 2.53Å; S134-V137 PolarHBondContact O-N 3.17Å; S134-A138 VanDerWaalsContact O-CB 3.25Å; S134-A138 WeakPolarHBondContact O-CB 3.37Å; S134-A138 PolarHBondContact O-N 3Å
135T97.1Very high94.4Very high7 Ų752.8 Ų52.84%0.04332%0.321CS..Hα-helixtrans-66.1-46.1176.4-55.90000111.2L54 T55 W58 I131 L132 V137 A138 M139L54-T135 HydrophobicContact CD2-CG2 3.76Å; L54-T135 HydrophobicContact CG-CG2 3.87Å; T55-T135 HydrophobicContact CG2-CG2 4.34Å; W58-T135 HydrophobicContact CB-CG2 4.02Å; W58-T135 HydrophobicContact CG-CG2 4.03Å; I131-T135 VanDerWaalsContact O-CB 3.25Å; I131-T135 WeakPolarHBondContact O-CB 3.5Å; I131-T135 PolarHBondContact O-N 3.45Å; I131-T135 PolarHBondContact O-OG1 2.93Å; L132-T135 PolarHBondContact O-N 3.1Å; T135-V137 VanDerWaalsContact C-N 3.33Å; T135-V137 PolarHBondContact O-N 2.05Å; T135-A138 PolarHBondContact O-N 3.19Å; T135-M139 HydrophobicContact CG2-CG 4.35Å; T135-M139 HydrophobicContact CG2-SD 3.97Å; T135-M139 WeakPolarHBondContact O-CB 3.29Å; T135-M139 WeakPolarHBondContact O-CG 3.45Å; T135-M139 PolarHBondContact O-N 3.33Å
136V96.6Very high93.7Very high66 Ų6651.5 Ų51.540%0.432%0.315SS..Hα-helixtrans-59.8-43.8175.61710000111L54 L132 A133 S140L54-V136 HydrophobicContact CD2-CG2 3.65Å; L132-V136 HydrophobicContact CD1-CG2 4.1Å; L132-V136 WeakPolarHBondContact O-CG2 3.43Å; L132-V136 PolarHBondContact O-N 3.5Å; A133-V136 PolarHBondContact O-N 2.92Å; V136-S140 VanDerWaalsContact O-CB 3.29Å; V136-S140 WeakPolarHBondContact O-CB 3.12Å; V136-S140 PolarHBondContact O-N 2.94Å; V136-S140 PolarHBondContact O-OG 3.27Å
137V96.3Very high92.7Very high100 Ų10054.2 Ų54.261%0.60633%0.325SS*.Hα-helixtrans-64.9-43.3177169.60000111.5A133 S134 T135 S140 A141A133-V137 WeakPolarHBondContact O-CB 3.42Å; A133-V137 VanDerWaalsContact O-CG2 3.28Å; A133-V137 WeakPolarHBondContact O-CG2 3.38Å; A133-V137 PolarHBondContact O-N 3.47Å; S134-V137 PolarHBondContact O-N 3.17Å; T135-V137 VanDerWaalsContact C-N 3.33Å; T135-V137 PolarHBondContact O-N 2.05Å; V137-S140 PolarHBondContact O-N 3.3Å; V137-A141 WeakPolarHBondContact O-CB 3.21Å; V137-A141 PolarHBondContact O-N 2.95Å
138A93.2Very high91.5Very high34 Ų3458 Ų5828%0.28134%0.341SS..Hα-helixtrans-66.5-44.4-179.800000112.5W58 S134 T135 A141 V142W58-A138 HydrophobicContact CH2-CB 4.34Å; W58-A138 HydrophobicContact CZ2-CB 3.64Å; S134-A138 VanDerWaalsContact O-CB 3.25Å; S134-A138 WeakPolarHBondContact O-CB 3.37Å; S134-A138 PolarHBondContact O-N 3Å; T135-A138 PolarHBondContact O-N 3.19Å; A138-A141 PolarHBondContact O-N 3.2Å; A138-V142 PolarHBondContact O-N 3.36Å
139M92.9Very high90.6Very high33 Ų3358 Ų5816%0.16334%0.341CS..Hα-helixtrans-60.9-44.1172.7-70.71797700111.5L54 W58 T135 A141 V142 A143 W150L54-M139 HydrophobicContact CD1-CE 4.09Å; L54-M139 HydrophobicContact CD1-SD 3.56Å; L54-M139 VanDerWaalsContact CD1-SD 3.56Å; L54-M139 HydrophobicContact CD2-SD 4.42Å; L54-M139 HydrophobicContact CG-SD 3.83Å; W58-M139 HydrophobicContact CB-SD 4.41Å; W58-M139 HydrophobicContact CD2-CG 3.79Å; W58-M139 HydrophobicContact CE3-CB 4.5Å; W58-M139 HydrophobicContact CE3-CG 3.39Å; W58-M139 HydrophobicContact CE3-SD 4.39Å; W58-M139 HydrophobicContact CG-CG 4.36Å; W58-M139 HydrophobicContact CH2-CG 4.31Å; W58-M139 HydrophobicContact CZ3-CB 4.37Å; W58-M139 HydrophobicContact CZ3-CG 3.69Å; T135-M139 HydrophobicContact CG2-CG 4.35Å; T135-M139 HydrophobicContact CG2-SD 3.97Å; T135-M139 WeakPolarHBondContact O-CB 3.29Å; T135-M139 WeakPolarHBondContact O-CG 3.45Å; T135-M139 PolarHBondContact O-N 3.33Å; M139-A141 VanDerWaalsContact C-N 3.33Å; M139-A141 PolarHBondContact O-N 3.32Å; M139-V142 PolarHBondContact O-N 2.89Å; M139-A143 WeakPolarHBondContact O-CB 3.35Å; M139-A143 PolarHBondContact O-N 2.92Å; M139-W150 HydrophobicContact CB-CH2 4.36Å; M139-W150 HydrophobicContact CE-CH2 3.78Å; M139-W150 HydrophobicContact CE-CZ3 4.18Å; M139-W150 HydrophobicContact CG-CH2 4.3Å
140S92.2Very high90Very high54 Ų5457.6 Ų57.638%0.37833%0.332SS..Hα-helixtrans-64.1-37.8177.3-56.60000112.2V136 V137 Q144V136-S140 VanDerWaalsContact O-CB 3.29Å; V136-S140 WeakPolarHBondContact O-CB 3.12Å; V136-S140 PolarHBondContact O-N 2.94Å; V136-S140 PolarHBondContact O-OG 3.27Å; V137-S140 PolarHBondContact O-N 3.3Å; S140-Q144 WeakPolarHBondContact O-CG 3.33Å; S140-Q144 PolarHBondContact O-N 2.78Å; S140-Q144 VanDerWaalsContact O-N 3.14Å
141A90.6Very high89.5Confident39 Ų3957.9 Ų57.932%0.32233%0.328SS..Hα-helixtrans-66.2-47176.500000111.1V137 A138 M139 A143 Q144 L145V137-A141 WeakPolarHBondContact O-CB 3.21Å; V137-A141 PolarHBondContact O-N 2.95Å; A138-A141 PolarHBondContact O-N 3.2Å; M139-A141 VanDerWaalsContact C-N 3.33Å; M139-A141 PolarHBondContact O-N 3.32Å; A141-A143 PolarHBondContact O-N 3.35Å; A141-Q144 PolarHBondContact O-N 2.86Å; A141-L145 HydrophobicContact CB-CD1 4.47Å; A141-L145 WeakPolarHBondContact O-CB 3.35Å; A141-L145 WeakPolarHBondContact O-CG 3.4Å; A141-L145 PolarHBondContact O-N 3.25Å
142V88.6Confident89.1Confident14 Ų1456.8 Ų56.89%0.08532%0.322CS..Hα-helixtrans-62.5-42.4175.51670000111.3W58 F61 W62 A138 M139 Q144 L145 W146 W150W58-V142 HydrophobicContact CH2-CB 4.12Å; W58-V142 HydrophobicContact CH2-CG2 3.74Å; W58-V142 HydrophobicContact CZ3-CB 4.48Å; F61-V142 HydrophobicContact CE1-CG1 4.1Å; F61-V142 HydrophobicContact CZ-CG1 3.76Å; W62-V142 HydrophobicContact CZ2-CG2 4.42Å; A138-V142 PolarHBondContact O-N 3.36Å; M139-V142 PolarHBondContact O-N 2.89Å; V142-Q144 VanDerWaalsContact C-N 3.27Å; V142-Q144 PolarHBondContact O-N 3.1Å; V142-L145 PolarHBondContact O-N 2.93Å; V142-W146 HydrophobicContact CG1-CB 4.49Å; V142-W146 CarbonylContact O-C 3.6Å; V142-W146 VanDerWaalsContact O-C 3.32Å; V142-W146 WeakPolarHBondContact O-CA 2.85Å; V142-W146 PolarHBondContact O-N 2.89Å; V142-W150 HydrophobicContact CG1-CZ2 4.19Å
143A87.8Confident88.7Confident40 Ų4057 Ų5733%0.33132%0.323SS..Hα-helixtrans-60.3-29.6175.400000114.8M139 A141 W150M139-A143 WeakPolarHBondContact O-CB 3.35Å; M139-A143 PolarHBondContact O-N 2.92Å; A141-A143 PolarHBondContact O-N 3.35Å; A143-W150 VanDerWaalsContact CA-NE1 3.31Å; A143-W150 HydrophobicContact CB-CZ2 4.39Å
144Q87.7Confident88.4Confident164 Ų16458.9 Ų58.977%0.76633%0.325SS*.Hα-helixtrans-91.2-24.6177.3-69.1174.825.200113.9S140 A141 V142S140-Q144 WeakPolarHBondContact O-CG 3.33Å; S140-Q144 PolarHBondContact O-N 2.78Å; S140-Q144 VanDerWaalsContact O-N 3.14Å; A141-Q144 PolarHBondContact O-N 2.86Å; V142-Q144 VanDerWaalsContact C-N 3.27Å; V142-Q144 PolarHBondContact O-N 3.1Å
145L84.1Confident88.2Confident80 Ų8056.8 Ų56.842%0.41931%0.309SS..Hα-helixtrans-99.7-29.7-173.6-67.5176.8000112.4Y75 A141 V142Y75-L145 HydrophobicContact CE1-CB 4.39Å; Y75-L145 WeakPolarHBondContact CE2-O 3.13Å; Y75-L145 WeakPolarHBondContact OH-CA 3.39Å; Y75-L145 WeakPolarHBondContact OH-CB 3.35Å; Y75-L145 PolarHBondContact OH-O 3.01Å; A141-L145 HydrophobicContact CB-CD1 4.47Å; A141-L145 WeakPolarHBondContact O-CB 3.35Å; A141-L145 WeakPolarHBondContact O-CG 3.4Å; A141-L145 PolarHBondContact O-N 3.25Å; V142-L145 PolarHBondContact O-N 2.93Å
146W82.4Confident88Confident17 Ų1756.5 Ų56.56%0.06431%0.307CS..  trans-146.658-169.1-156.224.1000109.6V65 D68 F72 V142 D148 E149V65-W146 HydrophobicContact CG1-CH2 3.42Å; V65-W146 VanDerWaalsContact CG1-CH2 3.42Å; V65-W146 HydrophobicContact CG1-CZ3 3.59Å; D68-W146 HydrophobicContact CB-CH2 4.05Å; D68-W146 HydrophobicContact CB-CZ2 3.93Å; F72-W146 HydrophobicContact CB-CH2 3.53Å; F72-W146 HydrophobicContact CB-CZ2 3.88Å; F72-W146 HydrophobicContact CB-CZ3 3.89Å; F72-W146 AromaticContact CD2-CD2 3.83Å; F72-W146 HydrophobicContact CD2-CD2 3.83Å; F72-W146 AromaticContact CD2-CE3 3.32Å; F72-W146 HydrophobicContact CD2-CE3 3.32Å; F72-W146 AromaticContact CD2-CH2 3.88Å; F72-W146 HydrophobicContact CD2-CH2 3.88Å; F72-W146 HydrophobicContact CD2-CZ2 4.3Å; F72-W146 AromaticContact CD2-CZ3 3.34Å; F72-W146 HydrophobicContact CD2-CZ3 3.34Å; F72-W146 HydrophobicContact CE2-CD2 4.49Å; F72-W146 AromaticContact CE2-CE3 3.82Å; F72-W146 HydrophobicContact CE2-CE3 3.82Å; F72-W146 HydrophobicContact CE2-CZ3 4.09Å; F72-W146 HydrophobicContact CG-CE3 4.27Å; F72-W146 HydrophobicContact CG-CH2 4.04Å; F72-W146 AromaticContact CG-CZ3 3.85Å; F72-W146 HydrophobicContact CG-CZ3 3.85Å; V142-W146 HydrophobicContact CG1-CB 4.49Å; V142-W146 CarbonylContact O-C 3.6Å; V142-W146 VanDerWaalsContact O-C 3.32Å; V142-W146 WeakPolarHBondContact O-CA 2.85Å; V142-W146 PolarHBondContact O-N 2.89Å; W146-D148 VanDerWaalsContact C-N 3.33Å; W146-D148 PolarHBondContact O-N 2.69Å; W146-E149 HydrophobicContact CD2-CB 4.38Å; W146-E149 HydrophobicContact CD2-CG 3.28Å; W146-E149 VanDerWaalsContact CE2-OE1 3.28Å; W146-E149 HydrophobicContact CE3-CB 4.42Å; W146-E149 HydrophobicContact CE3-CG 3.67Å; W146-E149 HydrophobicContact CG-CG 3.75Å; W146-E149 HydrophobicContact CH2-CG 3.82Å; W146-E149 HydrophobicContact CZ2-CG 3.46Å; W146-E149 VanDerWaalsContact CZ2-CG 3.46Å; W146-E149 HydrophobicContact CZ3-CG 3.93Å; W146-E149 PolarHBondContact NE1-OE1 3.3Å; W146-E149 PolarHBondContact O-N 2.92Å
147E75.3Confident87.9Confident151 Ų15156.3 Ų56.371%0.70630%0.304SS*.G310 helixtrans-58.8-39.5-172.3-172.9174.9-178.100113.1E149 W150E147-E149 PolarHBondContact O-N 3.16Å; E147-W150 PolarHBondContact O-N 2.95Å
148D72.6Confident87.8Confident96 Ų9654.3 Ų54.351%0.51329%0.288SS..G310 helixtrans-61-17.6-174.7-70.3-35.1000114.5W146W146-D148 VanDerWaalsContact C-N 3.33Å; W146-D148 PolarHBondContact O-N 2.69Å
149E79.4Confident87.8Confident1 Ų153 Ų531%0.00528%0.278CS..G310 helixtrans-87.8-9.4-175.3-48.6-45.5149.600115.2F61 W146 E147 E151 V152 R432F61-E149 HydrophobicContact CE2-CB 4.25Å; F61-E149 HydrophobicContact CZ-CB 4.28Å; W146-E149 HydrophobicContact CD2-CB 4.38Å; W146-E149 HydrophobicContact CD2-CG 3.28Å; W146-E149 VanDerWaalsContact CE2-OE1 3.28Å; W146-E149 HydrophobicContact CE3-CB 4.42Å; W146-E149 HydrophobicContact CE3-CG 3.67Å; W146-E149 HydrophobicContact CG-CG 3.75Å; W146-E149 HydrophobicContact CH2-CG 3.82Å; W146-E149 HydrophobicContact CZ2-CG 3.46Å; W146-E149 VanDerWaalsContact CZ2-CG 3.46Å; W146-E149 HydrophobicContact CZ3-CG 3.93Å; W146-E149 PolarHBondContact NE1-OE1 3.3Å; W146-E149 PolarHBondContact O-N 2.92Å; E147-E149 PolarHBondContact O-N 3.16Å; E149-E151 PolarHBondContact O-N 3.05Å; E149-V152 HydrophobicContact CB-CG2 4.2Å; E149-V152 VanDerWaalsContact O-CB 3.24Å; E149-V152 WeakPolarHBondContact O-CB 3.48Å; E149-V152 WeakPolarHBondContact O-CG2 3.13Å; E149-V152 PolarHBondContact O-N 2.87Å; E149-V152 WeakPolarHBondContact OE2-CG2 2.95Å; E149-R432 VanDerWaalsContact CD-NH2 3.26Å; E149-R432 IonicContact OE1-CZ 3.59Å; E149-R432 IonicContact OE1-NH1 3.23Å; E149-R432 PolarHBondContact OE1-NH1 2.96Å; E149-R432 IonicContact OE1-NH2 3.5Å; E149-R432 PolarHBondContact OE1-NH2 3.01Å; E149-R432 IonicContact OE2-CZ 2.9Å; E149-R432 VanDerWaalsContact OE2-CZ 3.26Å; E149-R432 IonicContact OE2-NH1 3.84Å; E149-R432 PolarHBondContact OE2-NH1 3.5Å; E149-R432 IonicContact OE2-NH2 2.68Å; E149-R432 PolarHBondContact OE2-NH2 2.87Å
150W84.2Confident87.9Confident60 Ų6052.9 Ų52.923%0.22728%0.279CS..Hα-helixtrans-66.7-22.3173.2-67.8101.1000112W58 F61 M139 V142 A143 E147 V152 L153W58-W150 HydrophobicContact CE3-CH2 4.38Å; W58-W150 HydrophobicContact CZ3-CH2 4.08Å; W58-W150 HydrophobicContact CZ3-CZ2 4.48Å; F61-W150 HydrophobicContact CD2-CE3 4.12Å; F61-W150 HydrophobicContact CD2-CH2 4.46Å; F61-W150 AromaticContact CD2-CZ3 3.97Å; F61-W150 HydrophobicContact CD2-CZ3 3.97Å; F61-W150 HydrophobicContact CE2-CD2 4.42Å; F61-W150 HydrophobicContact CE2-CE3 4.26Å; F61-W150 HydrophobicContact CE2-CZ3 4.37Å; F61-W150 HydrophobicContact CG-CZ3 4.45Å; M139-W150 HydrophobicContact CB-CH2 4.36Å; M139-W150 HydrophobicContact CE-CH2 3.78Å; M139-W150 HydrophobicContact CE-CZ3 4.18Å; M139-W150 HydrophobicContact CG-CH2 4.3Å; V142-W150 HydrophobicContact CG1-CZ2 4.19Å; A143-W150 VanDerWaalsContact CA-NE1 3.31Å; A143-W150 HydrophobicContact CB-CZ2 4.39Å; E147-W150 PolarHBondContact O-N 2.95Å; W150-V152 VanDerWaalsContact C-N 3.26Å; W150-V152 PolarHBondContact O-N 3.42Å; W150-L153 HydrophobicContact CE3-CD2 4.48Å; W150-L153 WeakPolarHBondContact O-CB 3.32Å; W150-L153 PolarHBondContact O-N 3.36Å
151E87.9Confident88Confident93 Ų9351.1 Ų51.144%0.43527%0.268SS..Hα-helixtrans-65-28169.2-67.2-60.4149.600112.5E149 L153 L154 I155 T434E149-E151 PolarHBondContact O-N 3.05Å; E151-L153 PolarHBondContact O-N 3.34Å; E151-L154 PolarHBondContact O-N 3.1Å; E151-I155 WeakPolarHBondContact O-CB 3.41Å; E151-I155 VanDerWaalsContact O-CG1 3.27Å; E151-I155 WeakPolarHBondContact O-CG1 3.46Å; E151-I155 PolarHBondContact O-N 3.23Å; E151-T434 HydrophobicContact CB-CG2 4Å
152V89.5Confident88.2Confident0 Ų049.3 Ų49.30%025%0.253CS..Hα-helixtrans-61.4-35.6176.2-173.40000110.8V65 E149 W150 I155 S156 Y433 T434 W460V65-V152 HydrophobicContact CG2-CB 4.12Å; V65-V152 HydrophobicContact CG2-CG1 4.04Å; E149-V152 HydrophobicContact CB-CG2 4.2Å; E149-V152 VanDerWaalsContact O-CB 3.24Å; E149-V152 WeakPolarHBondContact O-CB 3.48Å; E149-V152 WeakPolarHBondContact O-CG2 3.13Å; E149-V152 PolarHBondContact O-N 2.87Å; E149-V152 WeakPolarHBondContact OE2-CG2 2.95Å; W150-V152 VanDerWaalsContact C-N 3.26Å; W150-V152 PolarHBondContact O-N 3.42Å; V152-I155 PolarHBondContact O-N 3.09Å; V152-S156 WeakPolarHBondContact O-CB 3.46Å; V152-S156 PolarHBondContact O-N 3.13Å; V152-S156 PolarHBondContact O-OG 2.92Å; V152-Y433 HydrophobicContact CG2-CE2 4.17Å; V152-Y433 WeakPolarHBondContact CG2-OH 3.19Å; V152-T434 HydrophobicContact CG2-CG2 3.8Å; V152-W460 HydrophobicContact CG1-CH2 4.34Å
153L90Very high88.4Confident30 Ų3053.1 Ų53.116%0.15727%0.268CS..Hα-helixtrans-64.2-39.4174.4-171.173.8000112.1Y60 W150 E151 S156 L157Y60-L153 HydrophobicContact CD1-CD1 3.5Å; Y60-L153 HydrophobicContact CE1-CD1 3.7Å; W150-L153 HydrophobicContact CE3-CD2 4.48Å; W150-L153 WeakPolarHBondContact O-CB 3.32Å; W150-L153 PolarHBondContact O-N 3.36Å; E151-L153 PolarHBondContact O-N 3.34Å; L153-S156 PolarHBondContact O-OG 3.15Å; L153-S156 VanDerWaalsContact O-OG 3.1Å; L153-L157 WeakPolarHBondContact O-CB 3.2Å; L153-L157 WeakPolarHBondContact O-CD1 3.18Å; L153-L157 WeakPolarHBondContact O-CG 3.36Å; L153-L157 PolarHBondContact O-N 3.48Å; L153-L157 VanDerWaalsContact O-N 3.15Å
154L90.5Very high88.8Confident94 Ų9455.3 Ų55.349%0.49227%0.274SS..Hα-helixtrans-74.5-32.2178.1-63.1178.8000111.9E151E151-L154 PolarHBondContact O-N 3.1Å
155I93Very high89.1Confident20 Ų2048 Ų4810%0.10324%0.24CC..Hα-helixtrans-72.4-46.1175-68.1168000110.5E151 V152 L157 Q158 Y433 T434 W460 L461 L464E151-I155 WeakPolarHBondContact O-CB 3.41Å; E151-I155 VanDerWaalsContact O-CG1 3.27Å; E151-I155 WeakPolarHBondContact O-CG1 3.46Å; E151-I155 PolarHBondContact O-N 3.23Å; V152-I155 PolarHBondContact O-N 3.09Å; I155-L157 VanDerWaalsContact C-N 3.32Å; I155-L157 PolarHBondContact O-N 3.04Å; I155-Q158 WeakPolarHBondContact O-CB 3.24Å; I155-Q158 PolarHBondContact O-N 3.33Å; I155-Q158 VanDerWaalsContact O-N 3.1Å; I155-Y433 HydrophobicContact CD1-CD2 3.98Å; I155-Y433 HydrophobicContact CD1-CE2 4.12Å; I155-T434 HydrophobicContact CD1-CG2 4.19Å; I155-W460 HydrophobicContact CG2-CZ3 4.33Å; I155-L461 HydrophobicContact CG2-CD1 3.79Å; I155-L464 HydrophobicContact CG2-CD2 3.48Å; I155-L464 VanDerWaalsContact CG2-CD2 3.48Å; I155-L464 VanDerWaalsContact O-CD2 3.28Å; I155-L464 WeakPolarHBondContact O-CD2 3.45Å
156S93.9Very high89.7Confident0 Ų046.6 Ų46.60%024%0.235CC..Hα-helixtrans-64-36.6178.6680000112Y60 E64 V152 L153 Q158 G159 T160Y60-S156 WeakPolarHBondContact OH-CB 3.47Å; Y60-S156 PolarHBondContact OH-OG 3.4Å; Y60-S156 VanDerWaalsContact OH-OG 3.09Å; E64-S156 VanDerWaalsContact CD-CB 3.46Å; V152-S156 WeakPolarHBondContact O-CB 3.46Å; V152-S156 PolarHBondContact O-N 3.13Å; V152-S156 PolarHBondContact O-OG 2.92Å; L153-S156 PolarHBondContact O-OG 3.15Å; L153-S156 VanDerWaalsContact O-OG 3.1Å; S156-Q158 PolarHBondContact O-N 3.33Å; S156-G159 CarbonylContact O-C 3.05Å; S156-G159 VanDerWaalsContact O-CA 3.26Å; S156-G159 WeakPolarHBondContact O-CA 3.48Å; S156-G159 PolarHBondContact O-N 3.08Å; S156-T160 PolarHBondContact O-N 2.91Å; S156-T160 PolarHBondContact O-OG1 3.5Å; S156-T160 VanDerWaalsContact O-OG1 3.11Å
157L93.5Very high90.3Very high63 Ų6347.9 Ų47.933%0.3325%0.253SS..Hα-helixtrans-59.3-30.2172.8-77.2171000113.5Y60 L153 I155 G159 T160 A161 L164Y60-L157 HydrophobicContact CE1-CD2 4.44Å; L153-L157 WeakPolarHBondContact O-CB 3.2Å; L153-L157 WeakPolarHBondContact O-CD1 3.18Å; L153-L157 WeakPolarHBondContact O-CG 3.36Å; L153-L157 PolarHBondContact O-N 3.48Å; L153-L157 VanDerWaalsContact O-N 3.15Å; I155-L157 VanDerWaalsContact C-N 3.32Å; I155-L157 PolarHBondContact O-N 3.04Å; L157-G159 PolarHBondContact O-N 3.11Å; L157-T160 PolarHBondContact O-N 3.33Å; L157-A161 HydrophobicContact CD2-CB 4.49Å; L157-A161 WeakPolarHBondContact O-CB 3.23Å; L157-A161 PolarHBondContact O-N 3.45Å; L157-L164 HydrophobicContact CD2-CD1 3.85Å
158Q93.8Very high91.3Very high57 Ų5742.6 Ų42.627%0.26624%0.235SC..Hα-helixtrans-66.1-23.6171.3-60.1171.949.800112I155 S156 S215 L464I155-Q158 WeakPolarHBondContact O-CB 3.24Å; I155-Q158 PolarHBondContact O-N 3.33Å; I155-Q158 VanDerWaalsContact O-N 3.1Å; S156-Q158 PolarHBondContact O-N 3.33Å; Q158-S215 WeakPolarHBondContact O-CB 3.5Å; Q158-S215 PolarHBondContact O-OG 3.1Å; Q158-L464 HydrophobicContact CB-CD1 4.04Å; Q158-L464 HydrophobicContact CB-CD2 4.31Å
159G93.1Very high92.4Very high8 Ų838.3 Ų38.38%0.08221%0.212CC..Hα-helixtrans-87.9-39172.900000114S156 L157 W489S156-G159 CarbonylContact O-C 3.05Å; S156-G159 VanDerWaalsContact O-CA 3.26Å; S156-G159 WeakPolarHBondContact O-CA 3.48Å; S156-G159 PolarHBondContact O-N 3.08Å; L157-G159 PolarHBondContact O-N 3.11Å; G159-W489 WeakPolarHBondContact O-CZ2 3.45Å; G159-W489 PolarHBondContact O-NE1 3.31Å
160T94.8Very high93.3Very high29 Ų2941 Ų4118%0.17823%0.234CC..Hα-helixtrans-105.9-23.9-165.861.20000115Y60 E64 S156 L157 P162 F163 L164Y60-T160 WeakPolarHBondContact OH-CB 3.21Å; Y60-T160 VanDerWaalsContact OH-CG2 3.27Å; Y60-T160 WeakPolarHBondContact OH-CG2 3.49Å; Y60-T160 PolarHBondContact OH-OG1 2.87Å; E64-T160 WeakPolarHBondContact OE1-CG2 3.47Å; S156-T160 PolarHBondContact O-N 2.91Å; S156-T160 PolarHBondContact O-OG1 3.5Å; S156-T160 VanDerWaalsContact O-OG1 3.11Å; L157-T160 PolarHBondContact O-N 3.33Å; T160-P162 VanDerWaalsContact C-CD 3.44Å; T160-F163 PolarHBondContact O-N 3.17Å; T160-L164 PolarHBondContact O-N 3.23Å; T160-L164 WeakPolarHBondContact OG1-CD1 3.3Å
161A94.8Very high93.8Very high17 Ų1740.5 Ų40.514%0.1424%0.244CC..Hα-helixtrans-55.1-38.4-174.300000114.9L157 F163 L164 H165 I213L157-A161 HydrophobicContact CD2-CB 4.49Å; L157-A161 WeakPolarHBondContact O-CB 3.23Å; L157-A161 PolarHBondContact O-N 3.45Å; A161-F163 PolarHBondContact O-N 3.07Å; A161-L164 PolarHBondContact O-N 3.24Å; A161-H165 WeakPolarHBondContact O-CB 3.09Å; A161-H165 PolarHBondContact O-N 3.08Å; A161-I213 HydrophobicContact CB-CD1 3.96Å; A161-I213 HydrophobicContact CB-CG1 4.02Å; A161-I213 HydrophobicContact CB-CG2 3.94Å
162P94.3Very high94.2Very high1 Ų136.6 Ų36.61%0.00623%0.226CC..Hα-helixtrans-54-39.1172.8-29.237.5000113.7T160 I213 I218 W489 Y496 M499T160-P162 VanDerWaalsContact C-CD 3.44Å; P162-I213 HydrophobicContact CG-CG2 3.97Å; P162-I218 HydrophobicContact CG-CD1 4.4Å; P162-W489 HydrophobicContact CG-CH2 4.1Å; P162-Y496 HydrophobicContact CB-CE2 3.95Å; P162-Y496 HydrophobicContact CG-CE2 4.19Å; P162-M499 HydrophobicContact CB-CE 4.16Å
163F94.7Very high94.5Very high95 Ų9537.3 Ų37.342%0.41723%0.23SC..Hα-helixtrans-85.8-36.1-177.6-49.6-73.3000111.8T160 A161 H165 V166 G167 W489 M491T160-F163 PolarHBondContact O-N 3.17Å; A161-F163 PolarHBondContact O-N 3.07Å; F163-H165 VanDerWaalsContact C-N 3.3Å; F163-H165 PolarHBondContact O-N 3.44Å; F163-V166 PolarHBondContact O-N 3.21Å; F163-G167 PolarHBondContact O-N 2.96Å; F163-W489 HydrophobicContact CE2-CD2 4.07Å; F163-W489 AromaticContact CE2-CE2 3.87Å; F163-W489 HydrophobicContact CE2-CG 4.26Å; F163-W489 HydrophobicContact CE2-CZ2 4.28Å; F163-W489 AromaticContact CE2-NE1 3.92Å; F163-W489 HydrophobicContact CZ-CD2 4.02Å; F163-W489 HydrophobicContact CZ-CE3 4.34Å; F163-W489 HydrophobicContact CZ-CG 4.13Å; F163-M491 HydrophobicContact CE1-CE 4.24Å; F163-M491 HydrophobicContact CZ-CE 4.36Å
164L94.6Very high94.7Very high85 Ų8541.1 Ų41.145%0.44526%0.255SS..Hα-helixtrans-63.8-34.8173.1-68173.8000111.9L157 T160 A161 G167 A168L157-L164 HydrophobicContact CD2-CD1 3.85Å; T160-L164 PolarHBondContact O-N 3.23Å; T160-L164 WeakPolarHBondContact OG1-CD1 3.3Å; A161-L164 PolarHBondContact O-N 3.24Å; L164-G167 PolarHBondContact O-N 2.88Å; L164-A168 WeakPolarHBondContact O-CB 3.45Å; L164-A168 PolarHBondContact O-N 3.16Å
165H95.4Very high94.9Very high10 Ų1039.8 Ų39.85%0.04625%0.248CC..Hα-helixtrans-58.4-53.7171.3168.6-98.5000111.6A161 F163 G167 A168 L169 L206 P210 I213 D504A161-H165 WeakPolarHBondContact O-CB 3.09Å; A161-H165 PolarHBondContact O-N 3.08Å; F163-H165 VanDerWaalsContact C-N 3.3Å; F163-H165 PolarHBondContact O-N 3.44Å; H165-G167 VanDerWaalsContact C-N 3.28Å; H165-G167 PolarHBondContact O-N 2.85Å; H165-A168 PolarHBondContact O-N 3.23Å; H165-L169 WeakPolarHBondContact O-CB 3.49Å; H165-L169 PolarHBondContact O-N 2.71Å; H165-L206 PolarHBondContact CD2-O 2.72Å; H165-L206 VanDerWaalsContact CD2-O 3.29Å; H165-L206 PolarHBondContact NE2-O 3.06Å; H165-P210 WeakPolarHBondContact NE2-CG 3.46Å; H165-I213 HydrophobicContact CB-CD1 4.12Å; H165-D504 IonicContact CE1-OD1 3.11Å; H165-D504 IonicContact NE2-OD1 2.7Å
166V96.1Very high95Very high52 Ų5238.9 Ų38.932%0.31524%0.243SC..Hα-helixtrans-59.2-40.6178.1176.50000111.1F163 L169 A170 M499 A503F163-V166 PolarHBondContact O-N 3.21Å; V166-L169 PolarHBondContact O-N 3.35Å; V166-A170 WeakPolarHBondContact O-CB 2.99Å; V166-A170 PolarHBondContact O-N 2.68Å; V166-M499 HydrophobicContact CG2-CE 4.22Å; V166-M499 HydrophobicContact CG2-CG 4.46Å; V166-M499 HydrophobicContact CG2-SD 4.24Å; V166-A503 HydrophobicContact CG2-CB 4.48Å
167G95.6Very high94.9Very high43 Ų4345.6 Ų45.644%0.44327%0.268SS..Hα-helixtrans-63.2-45.6174.700000113.6F163 L164 H165 L169 A170 A171F163-G167 PolarHBondContact O-N 2.96Å; L164-G167 PolarHBondContact O-N 2.88Å; H165-G167 VanDerWaalsContact C-N 3.28Å; H165-G167 PolarHBondContact O-N 2.85Å; G167-L169 VanDerWaalsContact C-N 3.3Å; G167-L169 PolarHBondContact O-N 3.33Å; G167-A170 PolarHBondContact O-N 2.9Å; G167-A171 PolarHBondContact O-N 3.46Å
168A95.5Very high94.8Very high41 Ų4144.1 Ų44.134%0.33926%0.26SS..Hα-helixtrans-63.8-36.7175.700000111.9L164 H165 A171 V172 L206L164-A168 WeakPolarHBondContact O-CB 3.45Å; L164-A168 PolarHBondContact O-N 3.16Å; H165-A168 PolarHBondContact O-N 3.23Å; A168-A171 PolarHBondContact O-N 3.15Å; A168-V172 PolarHBondContact O-N 3.4Å; A168-L206 HydrophobicContact CB-CD2 3.97Å
169L96.7Very high94.7Very high5 Ų542.9 Ų42.93%0.02626%0.257CS..Hα-helixtrans-70.7-40.2177.6-164.473.6000112.2H165 V166 G167 A171 V172 T173 L206 Y207 A503 D504H165-L169 WeakPolarHBondContact O-CB 3.49Å; H165-L169 PolarHBondContact O-N 2.71Å; V166-L169 PolarHBondContact O-N 3.35Å; G167-L169 VanDerWaalsContact C-N 3.3Å; G167-L169 PolarHBondContact O-N 3.33Å; L169-A171 VanDerWaalsContact C-N 3.31Å; L169-A171 PolarHBondContact O-N 3.1Å; L169-V172 HydrophobicContact CD1-CG1 4.1Å; L169-V172 WeakPolarHBondContact O-CG1 3.29Å; L169-V172 PolarHBondContact O-N 3.28Å; L169-T173 WeakPolarHBondContact O-CB 3.46Å; L169-T173 PolarHBondContact O-N 3.43Å; L169-T173 PolarHBondContact O-OG1 3.18Å; L169-L206 HydrophobicContact CD1-CB 4.15Å; L169-Y207 HydrophobicContact CD1-CD1 3.73Å; L169-Y207 HydrophobicContact CD1-CE1 3.51Å; L169-Y207 HydrophobicContact CD2-CE1 4.3Å; L169-Y207 HydrophobicContact CG-CE1 4.44Å; L169-A503 VanDerWaalsContact CD2-C 3.47Å; L169-A503 HydrophobicContact CD2-CB 3.92Å; L169-A503 WeakPolarHBondContact CD2-O 3.3Å; L169-D504 WeakPolarHBondContact CD2-OD1 3.5Å
170A96.6Very high94.5Very high57 Ų5742.6 Ų42.647%0.47125%0.253SS..Hα-helixtrans-59.3-44.217000000111.1V166 G167 T173 V174V166-A170 WeakPolarHBondContact O-CB 2.99Å; V166-A170 PolarHBondContact O-N 2.68Å; G167-A170 PolarHBondContact O-N 2.9Å; A170-T173 PolarHBondContact O-N 3.07Å; A170-V174 WeakPolarHBondContact O-CG2 3.48Å; A170-V174 PolarHBondContact O-N 3.18Å
171A94.6Very high94.1Very high51 Ų5141.7 Ų41.742%0.42125%0.25SS..Hα-helixtrans-62.4-47.1177.900000112.9G167 A168 L169 T173 V174 L175G167-A171 PolarHBondContact O-N 3.46Å; A168-A171 PolarHBondContact O-N 3.15Å; L169-A171 VanDerWaalsContact C-N 3.31Å; L169-A171 PolarHBondContact O-N 3.1Å; A171-T173 VanDerWaalsContact C-N 3.29Å; A171-T173 PolarHBondContact O-N 3.14Å; A171-V174 PolarHBondContact O-N 3.17Å; A171-L175 WeakPolarHBondContact O-CG 3.34Å; A171-L175 PolarHBondContact O-N 2.86Å
172V96.4Very high93.7Very high11 Ų1143.8 Ų43.87%0.06726%0.257CS..Hα-helixtrans-66-33.4178.183.40000112A168 L169 L175 S176 F199 V202 V203 L206A168-V172 PolarHBondContact O-N 3.4Å; L169-V172 HydrophobicContact CD1-CG1 4.1Å; L169-V172 WeakPolarHBondContact O-CG1 3.29Å; L169-V172 PolarHBondContact O-N 3.28Å; V172-L175 PolarHBondContact O-N 3.16Å; V172-S176 PolarHBondContact O-N 2.95Å; V172-F199 HydrophobicContact CG2-CD2 4.46Å; V172-F199 HydrophobicContact CG2-CE2 3.78Å; V172-F199 HydrophobicContact CG2-CZ 4.42Å; V172-V202 HydrophobicContact CG2-CG1 4.35Å; V172-V203 HydrophobicContact CG1-CG2 4.15Å; V172-V203 HydrophobicContact CG2-CG2 3.77Å; V172-L206 HydrophobicContact CB-CD1 3.89Å; V172-L206 HydrophobicContact CG1-CD1 3.73Å; V172-L206 HydrophobicContact CG2-CD1 4.26Å
173T96.8Very high93.3Very high15 Ų1546.5 Ų46.59%0.09227%0.269CS..Hα-helixtrans-64.5-43.8175.1-55.60000111.2L169 A170 A171 S176 S507 L510 I511L169-T173 WeakPolarHBondContact O-CB 3.46Å; L169-T173 PolarHBondContact O-N 3.43Å; L169-T173 PolarHBondContact O-OG1 3.18Å; A170-T173 PolarHBondContact O-N 3.07Å; A171-T173 VanDerWaalsContact C-N 3.29Å; A171-T173 PolarHBondContact O-N 3.14Å; T173-S176 VanDerWaalsContact O-CB 3.28Å; T173-S176 WeakPolarHBondContact O-CB 2.86Å; T173-S176 PolarHBondContact O-N 3.15Å; T173-S176 PolarHBondContact O-OG 3.39Å; T173-S507 WeakPolarHBondContact OG1-CB 3.16Å; T173-S507 PolarHBondContact OG1-OG 3.2Å; T173-L510 HydrophobicContact CG2-CB 3.66Å; T173-L510 HydrophobicContact CG2-CD1 3.92Å; T173-L510 HydrophobicContact CG2-CG 4.47Å; T173-I511 HydrophobicContact CG2-CG1 4.34Å
174V94.7Very high92.7Very high110 Ų11042.9 Ų42.967%0.66726%0.257SS*.Hα-helixtrans-65.5-43.1174.3172.30000111.4A170 A171 S176 W177A170-V174 WeakPolarHBondContact O-CG2 3.48Å; A170-V174 PolarHBondContact O-N 3.18Å; A171-V174 PolarHBondContact O-N 3.17Å; V174-S176 PolarHBondContact O-N 3.25Å; V174-W177 PolarHBondContact O-N 3.47Å
175L94.1Very high92Very high66 Ų6643.9 Ų43.935%0.34626%0.255SS..Hα-helixtrans-61.7-26177.1-72.6171.2000113L109 A171 V172 W177 I178 V179L109-L175 HydrophobicContact CD1-CD2 3.87Å; L109-L175 HydrophobicContact CD2-CD2 3.98Å; A171-L175 WeakPolarHBondContact O-CG 3.34Å; A171-L175 PolarHBondContact O-N 2.86Å; V172-L175 PolarHBondContact O-N 3.16Å; L175-W177 PolarHBondContact O-N 3.1Å; L175-W177 VanDerWaalsContact O-N 3.12Å; L175-I178 HydrophobicContact CD2-CD1 4.34Å; L175-I178 PolarHBondContact O-N 3.41Å; L175-V179 PolarHBondContact O-N 2.75Å
176S94.8Very high91.3Very high0 Ų044.4 Ų44.40%026%0.261CS..Hα-helixtrans-55.3-30.2177.780.80000113.4V172 T173 V174 I178 V179 A180 I514V172-S176 PolarHBondContact O-N 2.95Å; T173-S176 VanDerWaalsContact O-CB 3.28Å; T173-S176 WeakPolarHBondContact O-CB 2.86Å; T173-S176 PolarHBondContact O-N 3.15Å; T173-S176 PolarHBondContact O-OG 3.39Å; V174-S176 PolarHBondContact O-N 3.25Å; S176-I178 VanDerWaalsContact C-N 3.35Å; S176-I178 PolarHBondContact O-N 3.38Å; S176-V179 PolarHBondContact O-N 2.78Å; S176-A180 VanDerWaalsContact O-CB 3.25Å; S176-A180 WeakPolarHBondContact O-CB 3.48Å; S176-A180 PolarHBondContact O-N 2.68Å; S176-I514 VanDerWaalsContact OG-CD1 3.29Å; S176-I514 WeakPolarHBondContact OG-CD1 3.2Å
177W92.7Very high90.5Very high141 Ų14151.1 Ų51.153%0.53429%0.289SS..Hα-helixtrans-63.7-39.6174.7-172-85000112.4V174 L175 G181 I514 Q518V174-W177 PolarHBondContact O-N 3.47Å; L175-W177 PolarHBondContact O-N 3.1Å; L175-W177 VanDerWaalsContact O-N 3.12Å; W177-G181 PolarHBondContact O-N 3.01Å; W177-I514 HydrophobicContact CB-CG2 4.2Å; W177-I514 HydrophobicContact CD2-CG2 4.39Å; W177-I514 HydrophobicContact CE3-CB 4.34Å; W177-I514 HydrophobicContact CE3-CD1 4.38Å; W177-I514 HydrophobicContact CE3-CG1 3.92Å; W177-I514 HydrophobicContact CE3-CG2 3.74Å; W177-I514 HydrophobicContact CZ3-CG1 4.36Å; W177-I514 HydrophobicContact CZ3-CG2 4.47Å; W177-Q518 VanDerWaalsContact CE2-NE2 3.27Å; W177-Q518 HydrophobicContact CH2-CG 4.47Å; W177-Q518 PolarHBondContact O-NE2 3.39Å
178I91.1Very high89.9Confident32 Ų3258.1 Ų58.116%0.16430%0.302CS..Hα-helixtrans-72.4-42177.9-55.8-178.8000109.6L109 I112 A113 L175 S176 G181 Q182L109-I178 HydrophobicContact CB-CD1 3.89Å; L109-I178 HydrophobicContact CD2-CD1 4.23Å; I112-I178 HydrophobicContact CB-CG2 4.19Å; I112-I178 HydrophobicContact CG2-CG2 3.53Å; A113-I178 HydrophobicContact CB-CG1 4.41Å; L175-I178 HydrophobicContact CD2-CD1 4.34Å; L175-I178 PolarHBondContact O-N 3.41Å; S176-I178 VanDerWaalsContact C-N 3.35Å; S176-I178 PolarHBondContact O-N 3.38Å; I178-G181 PolarHBondContact O-N 3.28Å; I178-Q182 WeakPolarHBondContact O-CG 3.27Å; I178-Q182 PolarHBondContact O-N 3.23Å
179V91.8Very high89.4Confident31 Ų3161.2 Ų61.219%0.18832%0.316CS..Hα-helixtrans-64.6-48.7179.4178.20000111.7L175 S176 G181 Q182 F183 I195 F199 F515L175-V179 PolarHBondContact O-N 2.75Å; S176-V179 PolarHBondContact O-N 2.78Å; V179-G181 PolarHBondContact O-N 2.89Å; V179-Q182 PolarHBondContact O-N 3.01Å; V179-Q182 VanDerWaalsContact O-N 3.13Å; V179-F183 WeakPolarHBondContact O-CB 3.4Å; V179-F183 PolarHBondContact O-N 2.95Å; V179-I195 HydrophobicContact CG1-CG2 3.7Å; V179-F199 HydrophobicContact CB-CD2 4.2Å; V179-F199 HydrophobicContact CB-CG 4.42Å; V179-F199 HydrophobicContact CG1-CB 3.84Å; V179-F199 HydrophobicContact CG1-CD1 4.31Å; V179-F199 HydrophobicContact CG1-CD2 4.04Å; V179-F199 HydrophobicContact CG1-CG 3.8Å; V179-F199 HydrophobicContact CG2-CD2 3.76Å; V179-F199 HydrophobicContact CG2-CE2 4.17Å; V179-F199 HydrophobicContact CG2-CG 4.37Å; V179-F515 HydrophobicContact CG1-CZ 4.2Å
180A89.5Confident88.9Confident2 Ų264.9 Ų64.92%0.01734%0.343CS..Hα-helixtrans-56.6-38.6173.500000111.1S176 Q182 F183 A184 I514 F515 Q518S176-A180 VanDerWaalsContact O-CB 3.25Å; S176-A180 WeakPolarHBondContact O-CB 3.48Å; S176-A180 PolarHBondContact O-N 2.68Å; A180-Q182 VanDerWaalsContact C-N 3.33Å; A180-Q182 PolarHBondContact O-N 3.5Å; A180-F183 PolarHBondContact O-N 2.79Å; A180-A184 VanDerWaalsContact O-CB 3.29Å; A180-A184 WeakPolarHBondContact O-CB 3.49Å; A180-A184 PolarHBondContact O-N 3.38Å; A180-I514 HydrophobicContact CB-CG2 4.18Å; A180-F515 HydrophobicContact CB-CD1 3.86Å; A180-F515 HydrophobicContact CB-CD2 3.95Å; A180-F515 HydrophobicContact CB-CE1 3.86Å; A180-F515 HydrophobicContact CB-CE2 3.95Å; A180-F515 HydrophobicContact CB-CG 3.92Å; A180-F515 HydrophobicContact CB-CZ 3.91Å; A180-Q518 VanDerWaalsContact CB-OE1 3.26Å; A180-Q518 PolarHBondContact O-OE1 3.1Å
181G85.8Confident88.2Confident11 Ų1164.6 Ų64.611%0.11334%0.337CS..Hα-helixtrans-71.3-29.3-179.400000112.8W177 I178 V179 R185W177-G181 PolarHBondContact O-N 3.01Å; I178-G181 PolarHBondContact O-N 3.28Å; V179-G181 PolarHBondContact O-N 2.89Å; G181-R185 WeakPolarHBondContact O-CG 3.09Å; G181-R185 PolarHBondContact O-N 2.83Å; G181-R185 PolarHBondContact O-NE 2.65Å
182Q85.1Confident87.8Confident61 Ų6164.6 Ų64.629%0.28533%0.328SS..Hα-helixtrans-76.9-42.1172-73.7-66.1-33.200111.4I112 I178 V179 A180 A184 R185 A186 I195I112-Q182 HydrophobicContact CG2-CG 3.71Å; I112-Q182 VanDerWaalsContact CG2-NE2 3.32Å; I112-Q182 PolarHBondContact O-NE2 2.99Å; I178-Q182 WeakPolarHBondContact O-CG 3.27Å; I178-Q182 PolarHBondContact O-N 3.23Å; V179-Q182 PolarHBondContact O-N 3.01Å; V179-Q182 VanDerWaalsContact O-N 3.13Å; A180-Q182 VanDerWaalsContact C-N 3.33Å; A180-Q182 PolarHBondContact O-N 3.5Å; Q182-A184 VanDerWaalsContact C-N 3.34Å; Q182-A184 PolarHBondContact O-N 2.81Å; Q182-R185 VanDerWaalsContact NE2-NH2 3.15Å; Q182-R185 PolarHBondContact O-N 3.17Å; Q182-A186 WeakPolarHBondContact O-CB 3.32Å; Q182-A186 PolarHBondContact O-N 2.8Å; Q182-I195 HydrophobicContact CB-CD1 4.45Å
183F87.5Confident87.5Confident58 Ų5868.2 Ų68.225%0.25435%0.35SS..Hα-helixtrans-56.6-46172.3173.8-91.3000111.9V179 A180 R185 A186 Q192 L196 F515V179-F183 WeakPolarHBondContact O-CB 3.4Å; V179-F183 PolarHBondContact O-N 2.95Å; A180-F183 PolarHBondContact O-N 2.79Å; F183-R185 VanDerWaalsContact C-N 3.29Å; F183-R185 PolarHBondContact O-N 2.78Å; F183-A186 PolarHBondContact O-N 2.63Å; F183-Q192 HydrophobicContact CD2-CB 3.86Å; F183-Q192 HydrophobicContact CD2-CG 4.16Å; F183-Q192 HydrophobicContact CE2-CB 3.76Å; F183-Q192 HydrophobicContact CE2-CG 4.23Å; F183-L196 HydrophobicContact CD2-CB 4.36Å; F183-L196 HydrophobicContact CD2-CD1 4.38Å; F183-L196 HydrophobicContact CE2-CB 4.47Å; F183-L196 HydrophobicContact CE2-CD2 4.08Å; F183-F515 HydrophobicContact CB-CE1 4.44Å; F183-F515 HydrophobicContact CD1-CE1 4.46Å; F183-F515 HydrophobicContact CG-CE1 4.4Å
184A82.3Confident87.2Confident19 Ų1971.4 Ų71.416%0.15737%0.37CS..Hα-helixtrans-63.6-29177.600000114.2A180 Q182 L522A180-A184 VanDerWaalsContact O-CB 3.29Å; A180-A184 WeakPolarHBondContact O-CB 3.49Å; A180-A184 PolarHBondContact O-N 3.38Å; Q182-A184 VanDerWaalsContact C-N 3.34Å; Q182-A184 PolarHBondContact O-N 2.81Å; A184-L522 HydrophobicContact CB-CD1 4.46Å; A184-L522 HydrophobicContact CB-CD2 3.99Å
185R78.9Confident86.9Confident106 Ų10668.6 Ų68.640%0.435%0.35SS..Hα-helixtrans-91.5-22.5179.5-78.8179.8-75.3-178.9-6113.9I112 A113 G181 Q182 F183 E187I112-R185 PolarHBondContact O-NH1 3.42Å; I112-R185 PolarHBondContact O-NH2 2.95Å; A113-R185 PolarHBondContact O-NH1 2.69Å; A113-R185 PolarHBondContact O-NH2 3.14Å; A113-R185 VanDerWaalsContact O-NH2 3.1Å; G181-R185 WeakPolarHBondContact O-CG 3.09Å; G181-R185 PolarHBondContact O-N 2.83Å; G181-R185 PolarHBondContact O-NE 2.65Å; Q182-R185 VanDerWaalsContact NE2-NH2 3.15Å; Q182-R185 PolarHBondContact O-N 3.17Å; F183-R185 VanDerWaalsContact C-N 3.29Å; F183-R185 PolarHBondContact O-N 2.78Å; R185-E187 PolarHBondContact O-N 3.44Å
186A81.3Confident86.8Confident21 Ų2167.7 Ų67.717%0.17435%0.345CS..  trans-65.9120.1-177.800000111.5Q182 F183 Q192 I195Q182-A186 WeakPolarHBondContact O-CB 3.32Å; Q182-A186 PolarHBondContact O-N 2.8Å; F183-A186 PolarHBondContact O-N 2.63Å; A186-Q192 HydrophobicContact CB-CG 3.71Å; A186-Q192 PolarHBondContact O-NE2 2.96Å; A186-I195 HydrophobicContact CB-CD1 4.43Å
187E78.1Confident86.7Confident193 Ų19371.2 Ų71.290%0.90237%0.369SS*.  trans-76.4-27.3-179.7-59.3-171.2152.400113.3R185R185-E187 PolarHBondContact O-N 3.44Å
188R84.7Confident86.7Confident190 Ų19068.6 Ų68.672%0.71737%0.369SS*.  trans-96.8127-177.1-63.7-176.9-174.8178.82.5111S190 S191 Q192R188-S190 VanDerWaalsContact C-N 3.28Å; R188-S190 PolarHBondContact O-N 2.69Å; R188-S191 WeakPolarHBondContact O-CB 3.48Å; R188-S191 PolarHBondContact O-N 3.16Å; R188-Q192 PolarHBondContact O-N 3.42Å
189T85Confident86.9Confident105 Ų10567.9 Ų67.964%0.64437%0.365SS*.Hα-helixtrans-55.5-40.4174.350.80000112.6S191 Q192 V193T189-S191 VanDerWaalsContact C-N 3.33Å; T189-S191 PolarHBondContact O-N 3.23Å; T189-Q192 WeakPolarHBondContact O-CB 3.47Å; T189-Q192 PolarHBondContact O-N 3.19Å; T189-V193 WeakPolarHBondContact O-CG2 3.34Å; T189-V193 PolarHBondContact O-N 3.36Å
190S84.8Confident87.1Confident83 Ų8370.8 Ų70.858%0.5838%0.375SS*.Hα-helixtrans-58.6-42.4174.4168.50000112.4R188 V193 T194R188-S190 VanDerWaalsContact C-N 3.28Å; R188-S190 PolarHBondContact O-N 2.69Å; S190-V193 PolarHBondContact O-N 2.94Å; S190-T194 PolarHBondContact O-N 3.47Å; S190-T194 PolarHBondContact O-OG1 3.49Å; S190-T194 VanDerWaalsContact O-OG1 3.08Å
191S83.3Confident87.5Confident50 Ų5075.2 Ų75.235%0.3540%0.402SS..Hα-helixtrans-68.7-39.2177-56.20000112.2R188 T189 T194 I195R188-S191 WeakPolarHBondContact O-CB 3.48Å; R188-S191 PolarHBondContact O-N 3.16Å; T189-S191 VanDerWaalsContact C-N 3.33Å; T189-S191 PolarHBondContact O-N 3.23Å; S191-T194 PolarHBondContact O-N 2.87Å; S191-I195 WeakPolarHBondContact O-CB 3.49Å; S191-I195 WeakPolarHBondContact O-CD1 3.45Å; S191-I195 VanDerWaalsContact O-CG1 3.25Å; S191-I195 WeakPolarHBondContact O-CG1 3.48Å; S191-I195 PolarHBondContact O-N 3.41Å
192Q86.1Confident87.9Confident52 Ų5278.2 Ų78.224%0.24342%0.418CS..Hα-helixtrans-58.6-47.5173.1-71.6175.4-17.300111.5F183 A186 R188 T189 I195 L196F183-Q192 HydrophobicContact CD2-CB 3.86Å; F183-Q192 HydrophobicContact CD2-CG 4.16Å; F183-Q192 HydrophobicContact CE2-CB 3.76Å; F183-Q192 HydrophobicContact CE2-CG 4.23Å; A186-Q192 HydrophobicContact CB-CG 3.71Å; A186-Q192 PolarHBondContact O-NE2 2.96Å; R188-Q192 PolarHBondContact O-N 3.42Å; T189-Q192 WeakPolarHBondContact O-CB 3.47Å; T189-Q192 PolarHBondContact O-N 3.19Å; Q192-I195 PolarHBondContact O-N 3.25Å; Q192-L196 VanDerWaalsContact O-CB 3.28Å; Q192-L196 WeakPolarHBondContact O-CB 3.39Å; Q192-L196 PolarHBondContact O-N 2.84Å
193V89.5Confident88.5Confident87 Ų8775.5 Ų75.553%0.52741%0.406SS..Hα-helixtrans-61.1-48.8176.9171.20000110.8T189 S190 I195 L196 C197T189-V193 WeakPolarHBondContact O-CG2 3.34Å; T189-V193 PolarHBondContact O-N 3.36Å; S190-V193 PolarHBondContact O-N 2.94Å; V193-I195 PolarHBondContact O-N 3.14Å; V193-L196 PolarHBondContact O-N 2.93Å; V193-C197 VanDerWaalsContact O-CB 3.29Å; V193-C197 WeakPolarHBondContact O-CB 3.03Å; V193-C197 PolarHBondContact O-N 3.38Å; V193-C197 PolarHBondContact O-SG 2.82Å
194T89.6Confident89Confident82 Ų8279 Ų7950%0.50342%0.421SS..Hα-helixtrans-58.3-48.6178.4-58.20000112.1S190 S191 L196 T198S190-T194 PolarHBondContact O-N 3.47Å; S190-T194 PolarHBondContact O-OG1 3.49Å; S190-T194 VanDerWaalsContact O-OG1 3.08Å; S191-T194 PolarHBondContact O-N 2.87Å; T194-L196 VanDerWaalsContact C-N 3.34Å; T194-L196 PolarHBondContact O-N 3.22Å; T194-T198 WeakPolarHBondContact O-CB 3.1Å; T194-T198 PolarHBondContact O-N 2.8Å; T194-T198 PolarHBondContact O-OG1 3.17Å
195I88.8Confident89.7Confident51 Ų5180.9 Ų80.926%0.26244%0.437SS..Hα-helixtrans-57.8-48.3178.4-69.6164.5000110.7V179 Q182 A186 S191 Q192 V193 F199V179-I195 HydrophobicContact CG1-CG2 3.7Å; Q182-I195 HydrophobicContact CB-CD1 4.45Å; A186-I195 HydrophobicContact CB-CD1 4.43Å; S191-I195 WeakPolarHBondContact O-CB 3.49Å; S191-I195 WeakPolarHBondContact O-CD1 3.45Å; S191-I195 VanDerWaalsContact O-CG1 3.25Å; S191-I195 WeakPolarHBondContact O-CG1 3.48Å; S191-I195 PolarHBondContact O-N 3.41Å; Q192-I195 PolarHBondContact O-N 3.25Å; V193-I195 PolarHBondContact O-N 3.14Å; I195-F199 WeakPolarHBondContact O-CB 3.4Å; I195-F199 PolarHBondContact O-N 3.1Å
196L91.8Very high90.5Very high46 Ų4677.6 Ų77.624%0.24143%0.426CS..Hα-helixtrans-69.7-44-174.4-163.468.8000112F183 Q192 V193 T194 F199 F200 F515F183-L196 HydrophobicContact CD2-CB 4.36Å; F183-L196 HydrophobicContact CD2-CD1 4.38Å; F183-L196 HydrophobicContact CE2-CB 4.47Å; F183-L196 HydrophobicContact CE2-CD2 4.08Å; Q192-L196 VanDerWaalsContact O-CB 3.28Å; Q192-L196 WeakPolarHBondContact O-CB 3.39Å; Q192-L196 PolarHBondContact O-N 2.84Å; V193-L196 PolarHBondContact O-N 2.93Å; T194-L196 VanDerWaalsContact C-N 3.34Å; T194-L196 PolarHBondContact O-N 3.22Å; L196-F199 PolarHBondContact O-N 3.46Å; L196-F200 HydrophobicContact CD1-CD2 3.99Å; L196-F200 HydrophobicContact CD1-CE2 3.42Å; L196-F200 VanDerWaalsContact CD1-CE2 3.42Å; L196-F200 HydrophobicContact CD1-CZ 4.13Å; L196-F200 HydrophobicContact CD2-CE2 4.13Å; L196-F200 HydrophobicContact CG-CD2 3.75Å; L196-F200 HydrophobicContact CG-CE2 3.55Å; L196-F200 WeakPolarHBondContact O-CD2 3.49Å; L196-F200 PolarHBondContact O-N 2.63Å; L196-F515 HydrophobicContact CD1-CE1 3.63Å; L196-F515 HydrophobicContact CD1-CZ 3.88Å
197C94.1Very high91.3Very high74 Ų7478.4 Ų78.450%0.543%0.425SS..Hα-helixtrans-61.5-48.8175-71.30000111.3V193 F199 F200 T201V193-C197 VanDerWaalsContact O-CB 3.29Å; V193-C197 WeakPolarHBondContact O-CB 3.03Å; V193-C197 PolarHBondContact O-N 3.38Å; V193-C197 PolarHBondContact O-SG 2.82Å; C197-F199 VanDerWaalsContact C-N 3.35Å; C197-F199 PolarHBondContact O-N 3.47Å; C197-F200 PolarHBondContact O-N 3.34Å; C197-T201 WeakPolarHBondContact O-CB 3.09Å; C197-T201 PolarHBondContact O-N 3.04Å; C197-T201 PolarHBondContact O-OG1 3.42Å
198T92.9Very high92.1Very high86 Ų8672.7 Ų72.753%0.52840%0.401SS..Hα-helixtrans-60.1-44.8178.8-59.20000111.6T194 T201 V202T194-T198 WeakPolarHBondContact O-CB 3.1Å; T194-T198 PolarHBondContact O-N 2.8Å; T194-T198 PolarHBondContact O-OG1 3.17Å; T198-T201 PolarHBondContact O-N 3.48Å; T198-V202 WeakPolarHBondContact O-CG2 3.16Å; T198-V202 PolarHBondContact O-N 2.78Å
199F94.9Very high92.7Very high17 Ų1765 Ų658%0.07538%0.378CS..Hα-helixtrans-62.3-49.9178.1176.9-105.9000112.3V172 V179 I195 L196 C197 T201 V202 V203 I511 F515V172-F199 HydrophobicContact CG2-CD2 4.46Å; V172-F199 HydrophobicContact CG2-CE2 3.78Å; V172-F199 HydrophobicContact CG2-CZ 4.42Å; V179-F199 HydrophobicContact CB-CD2 4.2Å; V179-F199 HydrophobicContact CB-CG 4.42Å; V179-F199 HydrophobicContact CG1-CB 3.84Å; V179-F199 HydrophobicContact CG1-CD1 4.31Å; V179-F199 HydrophobicContact CG1-CD2 4.04Å; V179-F199 HydrophobicContact CG1-CG 3.8Å; V179-F199 HydrophobicContact CG2-CD2 3.76Å; V179-F199 HydrophobicContact CG2-CE2 4.17Å; V179-F199 HydrophobicContact CG2-CG 4.37Å; I195-F199 WeakPolarHBondContact O-CB 3.4Å; I195-F199 PolarHBondContact O-N 3.1Å; L196-F199 PolarHBondContact O-N 3.46Å; C197-F199 VanDerWaalsContact C-N 3.35Å; C197-F199 PolarHBondContact O-N 3.47Å; F199-T201 VanDerWaalsContact C-N 3.33Å; F199-T201 PolarHBondContact O-N 2.92Å; F199-V202 PolarHBondContact O-N 3.21Å; F199-V202 VanDerWaalsContact O-N 3.16Å; F199-V203 HydrophobicContact CD1-CG2 4.26Å; F199-V203 HydrophobicContact CD2-CG2 4.37Å; F199-V203 HydrophobicContact CE1-CG2 3.79Å; F199-V203 HydrophobicContact CE2-CG2 3.93Å; F199-V203 HydrophobicContact CZ-CG2 3.6Å; F199-V203 WeakPolarHBondContact O-CG2 3.41Å; F199-V203 PolarHBondContact O-N 3.41Å; F199-I511 HydrophobicContact CE1-CG2 3.96Å; F199-I511 HydrophobicContact CZ-CD1 4.18Å; F199-I511 HydrophobicContact CZ-CG1 4.44Å; F199-I511 HydrophobicContact CZ-CG2 4.4Å; F199-F515 HydrophobicContact CD1-CE2 4.43Å; F199-F515 HydrophobicContact CD1-CZ 4.44Å; F199-F515 HydrophobicContact CE1-CE2 4.05Å; F199-F515 HydrophobicContact CE1-CZ 4.5Å
200F95.6Very high93.2Very high92 Ų9260.2 Ų60.240%0.40435%0.349SS..Hα-helixtrans-69.2-27.7179.7-73.3-49.7000113.5L196 C197 V202 V203 F204 I511L196-F200 HydrophobicContact CD1-CD2 3.99Å; L196-F200 HydrophobicContact CD1-CE2 3.42Å; L196-F200 VanDerWaalsContact CD1-CE2 3.42Å; L196-F200 HydrophobicContact CD1-CZ 4.13Å; L196-F200 HydrophobicContact CD2-CE2 4.13Å; L196-F200 HydrophobicContact CG-CD2 3.75Å; L196-F200 HydrophobicContact CG-CE2 3.55Å; L196-F200 WeakPolarHBondContact O-CD2 3.49Å; L196-F200 PolarHBondContact O-N 2.63Å; C197-F200 PolarHBondContact O-N 3.34Å; F200-V202 VanDerWaalsContact C-N 3.34Å; F200-V203 PolarHBondContact O-N 3.08Å; F200-F204 WeakPolarHBondContact O-CB 3.36Å; F200-F204 PolarHBondContact O-N 2.85Å; F200-I511 HydrophobicContact CE1-CG2 4.3Å
201T96.8Very high93.6Very high96 Ų9662.1 Ų62.159%0.58935%0.352SS*.Hα-helixtrans-61.8-42.5169.6-60.30000111.3C197 T198 F199 A205C197-T201 WeakPolarHBondContact O-CB 3.09Å; C197-T201 PolarHBondContact O-N 3.04Å; C197-T201 PolarHBondContact O-OG1 3.42Å; T198-T201 PolarHBondContact O-N 3.48Å; F199-T201 VanDerWaalsContact C-N 3.33Å; F199-T201 PolarHBondContact O-N 2.92Å; T201-A205 WeakPolarHBondContact O-CB 3.34Å; T201-A205 PolarHBondContact O-N 3.09Å
202V95.8Very high94.1Very high74 Ų7465.4 Ų65.445%0.44837%0.369SS..Hα-helixtrans-67.4-45.8176.6174.90000111.4V172 T198 F199 F200 F204 A205 L206V172-V202 HydrophobicContact CG2-CG1 4.35Å; T198-V202 WeakPolarHBondContact O-CG2 3.16Å; T198-V202 PolarHBondContact O-N 2.78Å; F199-V202 PolarHBondContact O-N 3.21Å; F199-V202 VanDerWaalsContact O-N 3.16Å; F200-V202 VanDerWaalsContact C-N 3.34Å; V202-F204 PolarHBondContact O-N 3.06Å; V202-A205 PolarHBondContact O-N 3.13Å; V202-L206 HydrophobicContact CG1-CD1 4.19Å; V202-L206 WeakPolarHBondContact O-CG 3.24Å; V202-L206 PolarHBondContact O-N 3.38Å
203V97.2Very high94.4Very high4 Ų464.4 Ų64.42%0.02437%0.366CS..Hα-helixtrans-61.5-44177.3173.30000111.3V172 F199 F200 L206 Y207 I511V172-V203 HydrophobicContact CG1-CG2 4.15Å; V172-V203 HydrophobicContact CG2-CG2 3.77Å; F199-V203 HydrophobicContact CD1-CG2 4.26Å; F199-V203 HydrophobicContact CD2-CG2 4.37Å; F199-V203 HydrophobicContact CE1-CG2 3.79Å; F199-V203 HydrophobicContact CE2-CG2 3.93Å; F199-V203 HydrophobicContact CZ-CG2 3.6Å; F199-V203 WeakPolarHBondContact O-CG2 3.41Å; F199-V203 PolarHBondContact O-N 3.41Å; F200-V203 PolarHBondContact O-N 3.08Å; V203-L206 PolarHBondContact O-N 2.99Å; V203-Y207 HydrophobicContact CG1-CD2 4.06Å; V203-Y207 HydrophobicContact CG1-CE1 4.04Å; V203-Y207 HydrophobicContact CG1-CE2 3.51Å; V203-Y207 VanDerWaalsContact CG1-CZ 3.48Å; V203-Y207 PolarHBondContact O-N 2.56Å; V203-I511 HydrophobicContact CG1-CD1 4.18Å; V203-I511 HydrophobicContact CG2-CD1 4.2Å
204F97.1Very high94.4Very high132 Ų13264 Ų6458%0.57937%0.366SS*.Hα-helixtrans-64.1-40.9177.4-177.5-107.1000112.3F200 V202 L206 Y207 L208F200-F204 WeakPolarHBondContact O-CB 3.36Å; F200-F204 PolarHBondContact O-N 2.85Å; V202-F204 PolarHBondContact O-N 3.06Å; F204-L206 VanDerWaalsContact C-N 3.3Å; F204-L206 PolarHBondContact O-N 3.04Å; F204-Y207 PolarHBondContact O-N 2.88Å; F204-L208 HydrophobicContact CD1-CD1 4.11Å; F204-L208 HydrophobicContact CE1-CD1 3.47Å; F204-L208 VanDerWaalsContact CE1-CD1 3.47Å; F204-L208 HydrophobicContact CE1-CG 4.31Å; F204-L208 HydrophobicContact CE2-CD1 4.25Å; F204-L208 HydrophobicContact CE2-CG 4.4Å; F204-L208 HydrophobicContact CZ-CD1 3.56Å; F204-L208 HydrophobicContact CZ-CG 4.19Å; F204-L208 WeakPolarHBondContact O-CG 3.15Å; F204-L208 PolarHBondContact O-N 3.31Å
205A96.9Very high94.6Very high58 Ų5860.3 Ų60.348%0.47934%0.344SS..Hα-helixtrans-61.9-38173.600000112T201 V202 L208 A209T201-A205 WeakPolarHBondContact O-CB 3.34Å; T201-A205 PolarHBondContact O-N 3.09Å; V202-A205 PolarHBondContact O-N 3.13Å; A205-L208 PolarHBondContact O-N 3.28Å; A205-A209 PolarHBondContact O-N 2.92Å
206L96.5Very high94.9Very high36 Ų3657.9 Ų57.919%0.18833%0.332CS..Hα-helixtrans-69.1-39.5175.1-71.9169.9000112.7H165 A168 L169 V172 V202 V203 F204 L208 A209 P210H165-L206 PolarHBondContact CD2-O 2.72Å; H165-L206 VanDerWaalsContact CD2-O 3.29Å; H165-L206 PolarHBondContact NE2-O 3.06Å; A168-L206 HydrophobicContact CB-CD2 3.97Å; L169-L206 HydrophobicContact CD1-CB 4.15Å; V172-L206 HydrophobicContact CB-CD1 3.89Å; V172-L206 HydrophobicContact CG1-CD1 3.73Å; V172-L206 HydrophobicContact CG2-CD1 4.26Å; V202-L206 HydrophobicContact CG1-CD1 4.19Å; V202-L206 WeakPolarHBondContact O-CG 3.24Å; V202-L206 PolarHBondContact O-N 3.38Å; V203-L206 PolarHBondContact O-N 2.99Å; F204-L206 VanDerWaalsContact C-N 3.3Å; F204-L206 PolarHBondContact O-N 3.04Å; L206-L208 VanDerWaalsContact C-N 3.28Å; L206-L208 PolarHBondContact O-N 3.48Å; L206-A209 WeakPolarHBondContact O-CB 3.12Å; L206-A209 PolarHBondContact O-N 2.76Å; L206-P210 WeakPolarHBondContact O-CD 3.41Å
207Y97.4Very high95.1Very high38 Ų3855.8 Ų55.815%0.14932%0.321CS..Hα-helixtrans-64.9-30.2173.7-67.1-20.2000112.9L169 V203 F204 W500 D504 S507 F508L169-Y207 HydrophobicContact CD1-CD1 3.73Å; L169-Y207 HydrophobicContact CD1-CE1 3.51Å; L169-Y207 HydrophobicContact CD2-CE1 4.3Å; L169-Y207 HydrophobicContact CG-CE1 4.44Å; V203-Y207 HydrophobicContact CG1-CD2 4.06Å; V203-Y207 HydrophobicContact CG1-CE1 4.04Å; V203-Y207 HydrophobicContact CG1-CE2 3.51Å; V203-Y207 VanDerWaalsContact CG1-CZ 3.48Å; V203-Y207 PolarHBondContact O-N 2.56Å; F204-Y207 PolarHBondContact O-N 2.88Å; Y207-W500 VanDerWaalsContact O-CZ2 3.31Å; Y207-W500 WeakPolarHBondContact O-CZ2 3.43Å; Y207-W500 PolarHBondContact O-NE1 3.43Å; Y207-W500 VanDerWaalsContact O-NE1 3.1Å; Y207-D504 VanDerWaalsContact CA-OD2 3.31Å; Y207-D504 WeakPolarHBondContact CA-OD2 3.45Å; Y207-D504 VanDerWaalsContact CB-OD2 3.32Å; Y207-D504 WeakPolarHBondContact CB-OD2 3.11Å; Y207-D504 HydrophobicContact CD1-CB 3.82Å; Y207-D504 WeakPolarHBondContact CD1-OD1 3.28Å; Y207-D504 VanDerWaalsContact CD1-OD2 3.31Å; Y207-D504 WeakPolarHBondContact CD1-OD2 3.41Å; Y207-D504 HydrophobicContact CE1-CB 3.94Å; Y207-D504 HydrophobicContact CG-CB 4.45Å; Y207-S507 PolarHBondContact OH-OG 2.99Å; Y207-F508 VanDerWaalsContact OH-CA 3.26Å; Y207-F508 WeakPolarHBondContact OH-CA 3.42Å; Y207-F508 WeakPolarHBondContact OH-CB 3.49Å; Y207-F508 PolarHBondContact OH-N 2.88Å; Y207-F508 VanDerWaalsContact OH-N 3.09Å
208L96.5Very high95.2Very high74 Ų7453.7 Ų53.739%0.38730%0.304SS..Hα-helixtrans-86.8-16.2175.3-64.8-172.9000114.1F204 A205 L206 P210 L211F204-L208 HydrophobicContact CD1-CD1 4.11Å; F204-L208 HydrophobicContact CE1-CD1 3.47Å; F204-L208 VanDerWaalsContact CE1-CD1 3.47Å; F204-L208 HydrophobicContact CE1-CG 4.31Å; F204-L208 HydrophobicContact CE2-CD1 4.25Å; F204-L208 HydrophobicContact CE2-CG 4.4Å; F204-L208 HydrophobicContact CZ-CD1 3.56Å; F204-L208 HydrophobicContact CZ-CG 4.19Å; F204-L208 WeakPolarHBondContact O-CG 3.15Å; F204-L208 PolarHBondContact O-N 3.31Å; A205-L208 PolarHBondContact O-N 3.28Å; L206-L208 VanDerWaalsContact C-N 3.28Å; L206-L208 PolarHBondContact O-N 3.48Å; L208-P210 VanDerWaalsContact C-CD 3.45Å; L208-L211 HydrophobicContact CD2-CD1 3.99Å; L208-L211 VanDerWaalsContact O-CB 3.31Å; L208-L211 WeakPolarHBondContact O-CB 3.49Å; L208-L211 PolarHBondContact O-N 2.8Å; L208-L211 VanDerWaalsContact O-N 3.07Å
209A95.5Very high95.3Very high28 Ų2851 Ų5123%0.23129%0.286CS..G310 helixtrans-55.5-38.2-175.200000114.5A205 L206 L211 T212A205-A209 PolarHBondContact O-N 2.92Å; L206-A209 WeakPolarHBondContact O-CB 3.12Å; L206-A209 PolarHBondContact O-N 2.76Å; A209-L211 PolarHBondContact O-N 2.9Å; A209-L211 VanDerWaalsContact O-N 3.14Å; A209-T212 PolarHBondContact O-N 2.86Å; A209-T212 PolarHBondContact O-OG1 3.41Å
210P95.5Very high95.4Very high5 Ų553 Ų533%0.03230%0.295CS..G310 helixtrans-55.9-27.7175.5-33.143.3000115.1H165 L206 L208 T212 I213 Y496 W500H165-P210 WeakPolarHBondContact NE2-CG 3.46Å; L206-P210 WeakPolarHBondContact O-CD 3.41Å; L208-P210 VanDerWaalsContact C-CD 3.45Å; P210-T212 PolarHBondContact O-N 3.41Å; P210-I213 PolarHBondContact O-N 3.42Å; P210-Y496 WeakPolarHBondContact CA-OH 3.31Å; P210-Y496 WeakPolarHBondContact CB-OH 3.25Å; P210-Y496 PolarHBondContact O-OH 3.13Å; P210-W500 HydrophobicContact CB-CD2 3.42Å; P210-W500 VanDerWaalsContact CB-CD2 3.42Å; P210-W500 HydrophobicContact CB-CE3 3.66Å; P210-W500 HydrophobicContact CB-CG 3.81Å; P210-W500 HydrophobicContact CB-CH2 4.32Å; P210-W500 HydrophobicContact CB-CZ2 4.11Å; P210-W500 HydrophobicContact CB-CZ3 4.1Å; P210-W500 HydrophobicContact CG-CD2 3.8Å; P210-W500 HydrophobicContact CG-CG 3.75Å; P210-W500 HydrophobicContact CG-CZ2 4.48Å
211L93.8Very high95.3Very high123 Ų12354.7 Ų54.764%0.64430%0.303SS*.G310 helixtrans-62.7-21.6173.4-65.9171.5000113.4L208 A209 W500L208-L211 HydrophobicContact CD2-CD1 3.99Å; L208-L211 VanDerWaalsContact O-CB 3.31Å; L208-L211 WeakPolarHBondContact O-CB 3.49Å; L208-L211 PolarHBondContact O-N 2.8Å; L208-L211 VanDerWaalsContact O-N 3.07Å; A209-L211 PolarHBondContact O-N 2.9Å; A209-L211 VanDerWaalsContact O-N 3.14Å; L211-W500 HydrophobicContact CD2-CH2 3.57Å; L211-W500 HydrophobicContact CD2-CZ3 4.08Å; L211-W500 HydrophobicContact CG-CH2 3.67Å; L211-W500 HydrophobicContact CG-CZ2 4.31Å; L211-W500 HydrophobicContact CG-CZ3 4.47Å
212T93.1Very high95.1Very high118 Ų11858.1 Ų58.172%0.72431%0.309SS*.G310 helixtrans-99.1-7.7179.467.10000113.6A209 P210 S214A209-T212 PolarHBondContact O-N 2.86Å; A209-T212 PolarHBondContact O-OG1 3.41Å; P210-T212 PolarHBondContact O-N 3.41Å; T212-S214 PolarHBondContact O-N 3.05Å
213I93.3Very high95.1Very high32 Ų3259.5 Ų59.516%0.16432%0.315CS..  trans-82.9109.5-176.9-64.4176.4000109.4A161 P162 H165 P210 Y496A161-I213 HydrophobicContact CB-CD1 3.96Å; A161-I213 HydrophobicContact CB-CG1 4.02Å; A161-I213 HydrophobicContact CB-CG2 3.94Å; P162-I213 HydrophobicContact CG-CG2 3.97Å; H165-I213 HydrophobicContact CB-CD1 4.12Å; P210-I213 PolarHBondContact O-N 3.42Å; I213-Y496 WeakPolarHBondContact CB-OH 3.31Å
214S90Very high95Very high77 Ų7761.3 Ų61.354%0.53832%0.324SS..  trans-105116.9172.3178.60000109.9T212T212-S214 PolarHBondContact O-N 3.05Å
215S94.4Very high94.9Very high5 Ų556.5 Ų56.54%0.03531%0.311CS..  trans-120.1146.1172.8-175.50000110.6Q158 C217 R438 W489Q158-S215 WeakPolarHBondContact O-CB 3.5Å; Q158-S215 PolarHBondContact O-OG 3.1Å; S215-C217 VanDerWaalsContact C-N 3.35Å; S215-C217 PolarHBondContact OG-N 3.29Å; S215-C217 VanDerWaalsContact OG-N 3.1Å; S215-R438 PolarHBondContact O-NH1 2.84Å; S215-W489 VanDerWaalsContact OG-CH2 3.26Å; S215-W489 WeakPolarHBondContact OG-CH2 3.37Å
216P94.8Very high94.8Very high1 Ų159.4 Ų59.41%0.00633%0.325CS..SBendtrans-69.6-30.8164.230.1-32.9000112.8I218 M219 R438 L464 C467 A468P216-I218 VanDerWaalsContact C-N 3.32Å; P216-I218 PolarHBondContact O-N 2.98Å; P216-M219 WeakPolarHBondContact O-CE 3.45Å; P216-R438 VanDerWaalsContact CA-CZ 3.5Å; P216-L464 HydrophobicContact CG-CD1 3.45Å; P216-L464 VanDerWaalsContact CG-CD1 3.45Å; P216-L464 HydrophobicContact CG-CG 3.7Å; P216-C467 HydrophobicContact CB-CB 3.82Å; P216-C467 HydrophobicContact CG-CB 4.21Å; P216-A468 HydrophobicContact CB-CB 4.13Å
217C96.1Very high94.9Very high1 Ų161 Ų611%0.00733%0.331CS..SBendtrans-84.70.5-177.2-61.10000114.4S215 M219 C467 W489 I490 M491S215-C217 VanDerWaalsContact C-N 3.35Å; S215-C217 PolarHBondContact OG-N 3.29Å; S215-C217 VanDerWaalsContact OG-N 3.1Å; C217-M219 PolarHBondContact O-N 2.93Å; C217-C467 WeakPolarHBondContact CA-SG 3.34Å; C217-C467 HydrophobicContact CB-CB 3.9Å; C217-C467 WeakPolarHBondContact CB-SG 3.29Å; C217-C467 WeakPolarHBondContact SG-CB 3.4Å; C217-C467 CovalentContact SG-SG 2.05Å; C217-C467 PolarHBondContact SG-SG 2.85Å; C217-W489 HydrophobicContact CB-CD2 4.11Å; C217-W489 HydrophobicContact CB-CE3 3.96Å; C217-W489 HydrophobicContact CB-CH2 3.77Å; C217-W489 HydrophobicContact CB-CZ2 3.91Å; C217-W489 HydrophobicContact CB-CZ3 3.79Å; C217-I490 WeakPolarHBondContact O-CA 3.29Å; C217-M491 PolarHBondContact O-N 3.27Å
218I95.9Very high94.9Very high31 Ų3159.3 Ų59.316%0.15932%0.324CS..BIsolated β-bridgetrans-82.591.4162.9-63.2165.6000107.6P162 P216 W489 M491 P493 Y496P162-I218 HydrophobicContact CG-CD1 4.4Å; P216-I218 VanDerWaalsContact C-N 3.32Å; P216-I218 PolarHBondContact O-N 2.98Å; I218-W489 HydrophobicContact CG1-CH2 4.14Å; I218-W489 HydrophobicContact CG1-CZ3 4.12Å; I218-M491 CarbonylContact C-O 3.54Å; I218-M491 VanDerWaalsContact CA-O 3.23Å; I218-M491 WeakPolarHBondContact CA-O 3.28Å; I218-P493 HydrophobicContact CG2-CG 4.4Å; I218-Y496 HydrophobicContact CD1-CD1 3.97Å; I218-Y496 HydrophobicContact CD1-CD2 3.88Å; I218-Y496 HydrophobicContact CD1-CE1 3.97Å; I218-Y496 HydrophobicContact CD1-CE2 3.91Å; I218-Y496 HydrophobicContact CD1-CG 3.92Å; I218-Y496 HydrophobicContact CG1-CD2 4.4Å; I218-Y496 HydrophobicContact CG1-CG 4.32Å; I218-Y496 HydrophobicContact CG2-CD1 4.38Å; I218-Y496 HydrophobicContact CG2-CG 4.38Å
219M95.3Very high95Very high28 Ų2857.2 Ų57.214%0.13832%0.318CS..SBendtrans-161.5163.4-176.862.9159.565.900111.3P216 C217 L224 C467 I490 M491 P492P216-M219 WeakPolarHBondContact O-CE 3.45Å; C217-M219 PolarHBondContact O-N 2.93Å; M219-L224 HydrophobicContact SD-CB 4.21Å; M219-L224 HydrophobicContact SD-CD1 4.07Å; M219-C467 HydrophobicContact CE-CB 4.21Å; M219-C467 WeakPolarHBondContact CE-O 3.4Å; M219-I490 HydrophobicContact CG-CG2 3.82Å; M219-I490 WeakPolarHBondContact O-CG2 3.26Å; M219-M491 PolarHBondContact N-O 3.42Å; M219-M491 CarbonylContact O-C 3.36Å; M219-P492 WeakPolarHBondContact O-CA 3.37Å
220E95.8Very high95.1Very high59 Ų5956.5 Ų56.528%0.27631%0.31SS..  trans-70.5140168.9-67.8-61146.900111.5K222 D223 P493E220-K222 HydrophobicContact CB-CD 4.28Å; E220-K222 HydrophobicContact CB-CG 3.94Å; E220-K222 PolarHBondContact O-N 3.31Å; E220-K222 VanDerWaalsContact O-N 3.11Å; E220-D223 HydrophobicContact CB-CB 4.46Å; E220-D223 WeakPolarHBondContact CB-OD2 3.49Å; E220-D223 PolarHBondContact O-N 3.26Å; E220-P493 WeakPolarHBondContact OE1-CD 3.4Å
221K93.4Very high95.2Very high129 Ų12956.3 Ų56.356%0.56131%0.309SS*.G310 helixtrans-61-24.8179.8-66.9174-176.8162.30113.5D223 L224 I490K221-D223 VanDerWaalsContact C-N 3.34Å; K221-L224 WeakPolarHBondContact O-CB 3.13Å; K221-I490 HydrophobicContact CG-CB 4.44Å; K221-I490 HydrophobicContact CG-CG2 4.13Å
222K93.9Very high95.5Very high167 Ų16750.5 Ų50.573%0.72628%0.278SS*.G310 helixtrans-73.8-21.9175.576-165.6173.9-174.20113.5E220E220-K222 HydrophobicContact CB-CD 4.28Å; E220-K222 HydrophobicContact CB-CG 3.94Å; E220-K222 PolarHBondContact O-N 3.31Å; E220-K222 VanDerWaalsContact O-N 3.11Å
223D94.4Very high95.7Very high104 Ų10445.7 Ų45.756%0.55625%0.248SC*.G310 helixtrans-92.3-3.5-178.4-59.3-22.3000111.4E220 K221 G225E220-D223 HydrophobicContact CB-CB 4.46Å; E220-D223 WeakPolarHBondContact CB-OD2 3.49Å; E220-D223 PolarHBondContact O-N 3.26Å; K221-D223 VanDerWaalsContact C-N 3.34Å; D223-G225 PolarHBondContact O-N 3.15Å
224L96Very high95.9Very high41 Ų4144.9 Ų44.922%0.21524%0.243CC..PPolyproline II helixtrans-64.2123.8175.4-175.871.4000110.5M219 K221 W466 P487 I490M219-L224 HydrophobicContact SD-CB 4.21Å; M219-L224 HydrophobicContact SD-CD1 4.07Å; K221-L224 WeakPolarHBondContact O-CB 3.13Å; L224-W466 HydrophobicContact CD1-CG 4.31Å; L224-W466 HydrophobicContact CD2-CZ2 4.04Å; L224-P487 HydrophobicContact CD1-CG 3.94Å; L224-P487 HydrophobicContact CD2-CG 4.2Å; L224-I490 HydrophobicContact CD1-CD1 3.94Å; L224-I490 HydrophobicContact CD2-CD1 3.7Å; L224-I490 HydrophobicContact CG-CD1 4.25Å
225G94Very high96.3Very high31 Ų3141.2 Ų41.232%0.3222%0.217SC..PPolyproline II helixtrans-66.5173.217500000113.9D223 W466D223-G225 PolarHBondContact O-N 3.15Å; G225-W466 PolarHBondContact O-NE1 3.1Å
226P95.8Very high96.4Very high119 Ų11941 Ų4177%0.77322%0.215SC*.PPolyproline II helixtrans-58.3151.3173.727.8-35.6000111.2W466P226-W466 PolarHBondContact O-NE1 3.17Å
227K97.3Very high96.5Very high69 Ų6941 Ų4130%0.322%0.215SC..PPolyproline II helixtrans-55.6131.2175-177.4171.8175.3166.10110.2A229 F462 W466 L481 S482 V484K227-A229 PolarHBondContact O-N 3.09Å; K227-F462 HydrophobicContact CD-CZ 4.4Å; K227-F462 HydrophobicContact CG-CE1 4.31Å; K227-F462 HydrophobicContact CG-CZ 3.92Å; K227-W466 HydrophobicContact CB-CD2 4.42Å; K227-W466 HydrophobicContact CB-CH2 3.77Å; K227-W466 HydrophobicContact CB-CZ2 3.6Å; K227-W466 HydrophobicContact CB-CZ3 4.27Å; K227-W466 HydrophobicContact CD-CH2 3.94Å; K227-W466 HydrophobicContact CD-CZ3 3.96Å; K227-W466 HydrophobicContact CG-CD2 4.38Å; K227-W466 HydrophobicContact CG-CE3 4.13Å; K227-W466 HydrophobicContact CG-CH2 3.84Å; K227-W466 HydrophobicContact CG-CZ2 4.12Å; K227-W466 HydrophobicContact CG-CZ3 3.85Å; K227-L481 WeakPolarHBondContact CE-O 3.43Å; K227-L481 PolarHBondContact NZ-O 2.8Å; K227-S482 VanDerWaalsContact NZ-C 3.32Å; K227-S482 PolarHBondContact NZ-O 3Å; K227-V484 PolarHBondContact NZ-O 2.87Å
228P97.9Very high96.5Very high3 Ų342.2 Ų42.22%0.01922%0.221CC..PPolyproline II helixtrans-54.7131.7176.4-24.530.8000111F462 W466 V470 V473P228-F462 HydrophobicContact CB-CE2 3.94Å; P228-F462 HydrophobicContact CB-CZ 4.26Å; P228-F462 HydrophobicContact CG-CE2 4.1Å; P228-F462 HydrophobicContact CG-CZ 4.17Å; P228-W466 VanDerWaalsContact CD-CG 3.41Å; P228-W466 HydrophobicContact CG-CB 3.79Å; P228-W466 HydrophobicContact CG-CG 4.13Å; P228-V470 WeakPolarHBondContact CB-O 3.25Å; P228-V470 WeakPolarHBondContact CG-O 3.4Å; P228-V473 HydrophobicContact CB-CG1 4.5Å
229A97.9Very high96.6Very high30 Ų3042.3 Ų42.325%0.24822%0.222CC..EExtended strand (participates in β ladder)trans-67.2137.4176.200000110.3K227 Y257 P471 S472 V473K227-A229 PolarHBondContact O-N 3.09Å; A229-Y257 HydrophobicContact CB-CD1 3.95Å; A229-Y257 HydrophobicContact CB-CG 3.84Å; A229-P471 PolarHBondContact N-O 3.15Å; A229-S472 CarbonylContact O-C 3.5Å; A229-S472 WeakPolarHBondContact O-CA 3.39Å; A229-S472 WeakPolarHBondContact O-CB 3.25Å; A229-V473 PolarHBondContact O-N 3.39Å
230L98.4Very high96.7Very high14 Ų1441 Ų417%0.07322%0.215CC..EExtended strand (participates in β ladder)trans-94.1131-178.2-66.7173000111.2L256 Y257 G258 F462 V473 L481L230-L256 HydrophobicContact CB-CD2 3.91Å; L230-L256 HydrophobicContact CD1-CD2 4.3Å; L230-Y257 WeakPolarHBondContact O-CB 3.49Å; L230-Y257 PolarHBondContact O-N 2.68Å; L230-G258 PolarHBondContact O-N 3.46Å; L230-F462 HydrophobicContact CD2-CD2 4.39Å; L230-F462 HydrophobicContact CD2-CE2 3.75Å; L230-F462 HydrophobicContact CD2-CZ 4.43Å; L230-V473 HydrophobicContact CD2-CG2 3.64Å; L230-L481 HydrophobicContact CD1-CB 4.14Å; L230-L481 HydrophobicContact CD2-CB 4.02Å; L230-L481 HydrophobicContact CD2-CD1 4.39Å
231I98.6Very high96.8Very high1 Ų138.2 Ų38.21%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-109126.6168.5-60.6-178000107.8H233 Y257 G258 Q260 M391 N452 V473 T474 S475I231-H233 PolarHBondContact O-N 3.38Å; I231-Y257 HydrophobicContact CG1-CD1 4.23Å; I231-G258 CarbonylContact C-O 3.58Å; I231-G258 WeakPolarHBondContact CA-O 3.31Å; I231-Q260 HydrophobicContact CG2-CB 4.03Å; I231-M391 HydrophobicContact CD1-CE 4.11Å; I231-N452 WeakPolarHBondContact CD1-OD1 3.49Å; I231-V473 PolarHBondContact N-O 2.97Å; I231-T474 HydrophobicContact CG2-CG2 4.44Å; I231-T474 CarbonylContact O-C 3.39Å; I231-T474 VanDerWaalsContact O-CA 3.29Å; I231-T474 WeakPolarHBondContact O-CA 3.31Å; I231-S475 PolarHBondContact O-N 3.07Å
232G98.3Very high97Very high0 Ų032.5 Ų32.50%018%0.178CC..EExtended strand (participates in β ladder)trans-71.4112.9176.500000111R234 G235 G258 Q260G232-R234 PolarHBondContact O-N 3.34Å; G232-G235 CarbonylContact C-O 3.48Å; G232-G235 WeakPolarHBondContact CA-O 3.42Å; G232-G258 PolarHBondContact N-O 3.12Å; G232-Q260 PolarHBondContact O-N 2.86Å
233H98.2Very high97.2Very high18 Ų1824.8 Ų24.88%0.08314%0.144CC..THydrogen-bonded Turntrans-66122.3175.7-171.4-141.9000108.8I231 G235 P237 Q260 T455 T474 S475 D476I231-H233 PolarHBondContact O-N 3.38Å; H233-G235 CarbonylContact O-C 3.58Å; H233-G235 PolarHBondContact O-N 2.88Å; H233-P237 WeakPolarHBondContact O-CD 3.11Å; H233-P237 VanDerWaalsContact O-CG 3.27Å; H233-P237 WeakPolarHBondContact O-CG 3.26Å; H233-Q260 PolarHBondContact CD2-OE1 2.75Å; H233-Q260 VanDerWaalsContact CD2-OE1 3.3Å; H233-T455 HydrophobicContact CB-CG2 4.33Å; H233-T474 HydrophobicContact CB-CG2 3.51Å; H233-S475 WeakPolarHBondContact CB-O 3.2Å; H233-S475 PolarHBondContact N-O 2.6Å; H233-D476 IonicContact CE1-OD1 2.75Å; H233-D476 IonicContact CG-OD1 2.89Å; H233-D476 IonicContact ND1-OD1 3.64Å; H233-D476 PolarHBondContact ND1-OD1 2.96Å; H233-D476 IonicContact ND1-OD2 3.24Å
234R98.1Very high97.5Very high15 Ų1519.9 Ų19.96%0.05712%0.118CC..THydrogen-bonded Turntrans52.222.5-179.4-41-174.8-174.9149.311.9114.9G232 E242 H243 Q260 H275G232-R234 PolarHBondContact O-N 3.34Å; R234-E242 HydrophobicContact CB-CB 3.91Å; R234-E242 WeakPolarHBondContact CD-OE1 3.23Å; R234-E242 IonicContact CZ-OE1 2.76Å; R234-E242 IonicContact NE-OE1 2.69Å; R234-E242 IonicContact NH1-OE1 2.74Å; R234-E242 PolarHBondContact NH1-OE1 2.91Å; R234-E242 VanDerWaalsContact NH1-OE1 3.14Å; R234-E242 IonicContact NH1-OE2 2.88Å; R234-E242 PolarHBondContact NH1-OE2 3.24Å; R234-H243 VanDerWaalsContact CB-CE1 3.48Å; R234-H243 WeakPolarHBondContact CB-CE1 3.47Å; R234-H243 WeakPolarHBondContact CD-NE2 3.08Å; R234-H243 VanDerWaalsContact CG-NE2 3.32Å; R234-H243 WeakPolarHBondContact CG-NE2 3.26Å; R234-H243 PolarHBondContact O-N 3.1Å; R234-Q260 WeakPolarHBondContact CA-O 3.23Å; R234-Q260 PolarHBondContact N-O 3.41Å; R234-H275 VanDerWaalsContact CZ-CD2 3.41Å; R234-H275 PolarHBondContact NE-CD2 3.01Å; R234-H275 PolarHBondContact NH2-CD2 3.31Å; R234-H275 PolarHBondContact NH2-CE1 2.75Å; R234-H275 PolarHBondContact NH2-NE2 3.27Å; R234-H275 VanDerWaalsContact NH2-NE2 3.15Å
235G97.9Very high97.6Very high0 Ų020.2 Ų20.20%012%0.12CC..SBendtrans101.5-121.3-165.900000112.5G232 H233 S247G232-G235 CarbonylContact C-O 3.48Å; G232-G235 WeakPolarHBondContact CA-O 3.42Å; H233-G235 CarbonylContact O-C 3.58Å; H233-G235 PolarHBondContact O-N 2.88Å; G235-S247 CarbonylContact C-O 3.47Å
236A97.4Very high97.8Very high0 Ų018.7 Ų18.70%010%0.104CC..  trans-133.171.8175.100000109.8M238 L239 A240 S247 K250 A251A236-M238 VanDerWaalsContact C-N 3.27Å; A236-M238 PolarHBondContact O-N 2.95Å; A236-L239 HydrophobicContact CB-CB 4.36Å; A236-L239 HydrophobicContact CB-CD1 4.49Å; A236-L239 WeakPolarHBondContact O-CA 3.42Å; A236-L239 PolarHBondContact O-N 3.26Å; A236-A240 PolarHBondContact O-N 2.89Å; A236-A240 VanDerWaalsContact O-N 3.08Å; A236-S247 VanDerWaalsContact C-OG 3.29Å; A236-S247 PolarHBondContact N-O 2.89Å; A236-S247 VanDerWaalsContact N-O 3.1Å; A236-S247 PolarHBondContact N-OG 2.96Å; A236-S247 PolarHBondContact O-OG 3.32Å; A236-K250 HydrophobicContact CB-CB 3.93Å; A236-A251 HydrophobicContact CB-CB 4.18Å
237P96.4Very high97.9Very high1 Ų113 Ų131%0.0067%0.068CC..THydrogen-bonded Turntrans-68.4-18.8-166.523.9-34.4000114.6H233 L239 A240 E242 F314 F320 D476H233-P237 WeakPolarHBondContact O-CD 3.11Å; H233-P237 VanDerWaalsContact O-CG 3.27Å; H233-P237 WeakPolarHBondContact O-CG 3.26Å; P237-L239 PolarHBondContact O-N 2.81Å; P237-A240 VanDerWaalsContact CA-O 3.29Å; P237-A240 WeakPolarHBondContact CA-O 3.18Å; P237-E242 HydrophobicContact CB-CB 4.03Å; P237-F314 WeakPolarHBondContact O-CE2 3.03Å; P237-F320 HydrophobicContact CB-CE2 3.9Å; P237-F320 HydrophobicContact CB-CZ 4.34Å; P237-F320 WeakPolarHBondContact O-CD2 3.43Å; P237-F320 WeakPolarHBondContact O-CE2 3.43Å; P237-D476 HydrophobicContact CG-CB 3.77Å; P237-D476 WeakPolarHBondContact CG-OD1 3.26Å
238M96.3Very high98Very high26 Ų269.8 Ų9.813%0.1285%0.053CC..THydrogen-bonded Turntrans-77-3.7167.2-69.9-169.7174.300114.3A236 F320 T322 N457 D476 N477A236-M238 VanDerWaalsContact C-N 3.27Å; A236-M238 PolarHBondContact O-N 2.95Å; M238-F320 HydrophobicContact CE-CD1 3.6Å; M238-F320 HydrophobicContact CE-CE1 4.11Å; M238-F320 HydrophobicContact CE-CG 4.27Å; M238-F320 HydrophobicContact CG-CB 3.91Å; M238-F320 HydrophobicContact CG-CD1 3.87Å; M238-F320 HydrophobicContact CG-CD2 4.04Å; M238-F320 HydrophobicContact CG-CE1 4.39Å; M238-F320 HydrophobicContact CG-CG 3.66Å; M238-T322 HydrophobicContact CB-CG2 4.27Å; M238-T322 WeakPolarHBondContact O-CB 3.32Å; M238-T322 WeakPolarHBondContact O-CG2 3.49Å; M238-T322 PolarHBondContact O-OG1 3.16Å; M238-T322 VanDerWaalsContact O-OG1 3.04Å; M238-N457 HydrophobicContact CE-CB 4.34Å; M238-D476 HydrophobicContact CE-CB 4.1Å; M238-D476 HydrophobicContact CG-CB 4.01Å; M238-D476 HydrophobicContact SD-CB 4.46Å; M238-N477 HydrophobicContact CE-CB 3.97Å; M238-N477 VanDerWaalsContact SD-CA 3.51Å; M238-N477 HydrophobicContact SD-CB 3.39Å; M238-N477 WeakPolarHBondContact SD-CB 3.38Å; M238-N477 VanDerWaalsContact SD-CG 3.52Å
239L96.8Very high98Very high34 Ų3413.8 Ų13.818%0.1787%0.068CC..THydrogen-bonded Turntrans-124.3-16.1179.4-62.6-176.9000113.8A236 P237 L326 H479A236-L239 HydrophobicContact CB-CB 4.36Å; A236-L239 HydrophobicContact CB-CD1 4.49Å; A236-L239 WeakPolarHBondContact O-CA 3.42Å; A236-L239 PolarHBondContact O-N 3.26Å; P237-L239 PolarHBondContact O-N 2.81Å; L239-L326 WeakPolarHBondContact O-CD2 3.32Å; L239-H479 HydrophobicContact CD1-CB 3.85Å; L239-H479 HydrophobicContact CG-CB 4.43Å
240A97.9Very high97.9Very high0 Ų013.8 Ų13.80%06%0.062CC..SBendtrans-165.5152.4-174.100000110.9A236 P237 E242 M246 S247 K250A236-A240 PolarHBondContact O-N 2.89Å; A236-A240 VanDerWaalsContact O-N 3.08Å; P237-A240 VanDerWaalsContact CA-O 3.29Å; P237-A240 WeakPolarHBondContact CA-O 3.18Å; A240-E242 PolarHBondContact O-N 3.38Å; A240-M246 HydrophobicContact CB-CB 4.26Å; A240-M246 HydrophobicContact CB-CE 3.95Å; A240-M246 HydrophobicContact CB-CG 3.69Å; A240-M246 HydrophobicContact CB-SD 3.66Å; A240-S247 PolarHBondContact O-OG 2.92Å; A240-K250 HydrophobicContact CB-CG 4.19Å
241P98.2Very high97.9Very high0 Ų013.1 Ų13.10%06%0.059CC..  trans-56130.1-174.2-15.924.8000112.6T244 S247 A310 W313 F314 A334 Q337P241-T244 HydrophobicContact CB-CG2 3.92Å; P241-T244 WeakPolarHBondContact O-CB 3.4Å; P241-T244 WeakPolarHBondContact O-CG2 3.47Å; P241-T244 PolarHBondContact O-N 2.95Å; P241-T244 PolarHBondContact O-OG1 2.83Å; P241-S247 WeakPolarHBondContact O-CB 3.46Å; P241-A310 WeakPolarHBondContact CB-O 3.27Å; P241-W313 HydrophobicContact CB-CZ2 4.34Å; P241-F314 HydrophobicContact CB-CB 3.83Å; P241-F314 HydrophobicContact CB-CG 4.28Å; P241-F314 HydrophobicContact CG-CB 3.76Å; P241-F314 HydrophobicContact CG-CD1 4.23Å; P241-F314 HydrophobicContact CG-CG 4.04Å; P241-A334 HydrophobicContact CG-CB 4.21Å; P241-A334 WeakPolarHBondContact CG-O 3.39Å; P241-Q337 HydrophobicContact CG-CG 4.13Å
242E98.1Very high97.9Very high9 Ų914.5 Ų14.54%0.0427%0.066CC..THydrogen-bonded Turntrans-54.3146.9-173.975.4-179-119.200113.9R234 P237 A240 T244 H275 R281 T282 W313R234-E242 HydrophobicContact CB-CB 3.91Å; R234-E242 WeakPolarHBondContact CD-OE1 3.23Å; R234-E242 IonicContact CZ-OE1 2.76Å; R234-E242 IonicContact NE-OE1 2.69Å; R234-E242 IonicContact NH1-OE1 2.74Å; R234-E242 PolarHBondContact NH1-OE1 2.91Å; R234-E242 VanDerWaalsContact NH1-OE1 3.14Å; R234-E242 IonicContact NH1-OE2 2.88Å; R234-E242 PolarHBondContact NH1-OE2 3.24Å; P237-E242 HydrophobicContact CB-CB 4.03Å; A240-E242 PolarHBondContact O-N 3.38Å; E242-T244 PolarHBondContact O-N 2.94Å; E242-T244 VanDerWaalsContact O-N 3.13Å; E242-H275 WeakPolarHBondContact OE1-CB 3.47Å; E242-R281 IonicContact OE1-CZ 3.52Å; E242-R281 IonicContact OE1-NH1 3.66Å; E242-R281 IonicContact OE1-NH2 3.97Å; E242-R281 PolarHBondContact OE1-NH2 3.27Å; E242-R281 IonicContact OE2-CZ 2.69Å; E242-R281 IonicContact OE2-NH1 3.8Å; E242-R281 PolarHBondContact OE2-NH1 2.89Å; E242-R281 IonicContact OE2-NH2 3.46Å; E242-R281 PolarHBondContact OE2-NH2 3Å; E242-T282 HydrophobicContact CG-CG2 4.13Å; E242-W313 HydrophobicContact CG-CH2 4.36Å; E242-W313 HydrophobicContact CG-CZ2 3.99Å
243H98.4Very high97.8Very high6 Ų619.7 Ų19.73%0.0289%0.09CC..THydrogen-bonded Turntrans57.520.9179.2-67.4-54.8000115.5R234 F248 D262 L273 H275 C340R234-H243 VanDerWaalsContact CB-CE1 3.48Å; R234-H243 WeakPolarHBondContact CB-CE1 3.47Å; R234-H243 WeakPolarHBondContact CD-NE2 3.08Å; R234-H243 VanDerWaalsContact CG-NE2 3.32Å; R234-H243 WeakPolarHBondContact CG-NE2 3.26Å; R234-H243 PolarHBondContact O-N 3.1Å; H243-F248 AromaticContact ND1-CZ 3.8Å; H243-D262 PolarHBondContact CE1-N 3.2Å; H243-D262 IonicContact CE1-OD2 2.88Å; H243-D262 PolarHBondContact CE1-OD2 3.38Å; H243-D262 VanDerWaalsContact CE1-OD2 3.23Å; H243-D262 IonicContact NE2-OD2 2.9Å; H243-D262 PolarHBondContact NE2-OD2 3.06Å; H243-L273 HydrophobicContact CB-CB 3.93Å; H243-H275 PolarHBondContact CD2-N 3Å; H243-C340 WeakPolarHBondContact O-CB 3.31Å
244T98.6Very high97.6Very high1 Ų120.9 Ų20.91%0.00610%0.096CC..SBendtrans-102.3159.317467.70000112.9P241 E242 M246 S247 F248 A310 Q337P241-T244 HydrophobicContact CB-CG2 3.92Å; P241-T244 WeakPolarHBondContact O-CB 3.4Å; P241-T244 WeakPolarHBondContact O-CG2 3.47Å; P241-T244 PolarHBondContact O-N 2.95Å; P241-T244 PolarHBondContact O-OG1 2.83Å; E242-T244 PolarHBondContact O-N 2.94Å; E242-T244 VanDerWaalsContact O-N 3.13Å; T244-M246 VanDerWaalsContact C-N 3.28Å; T244-M246 PolarHBondContact O-N 3.11Å; T244-S247 PolarHBondContact O-N 2.76Å; T244-S247 PolarHBondContact OG1-N 3.27Å; T244-F248 WeakPolarHBondContact O-CD2 3.34Å; T244-F248 PolarHBondContact O-N 3.34Å; T244-F248 VanDerWaalsContact O-N 3.09Å; T244-A310 HydrophobicContact CG2-CB 4.23Å; T244-Q337 HydrophobicContact CG2-CB 3.59Å; T244-Q337 HydrophobicContact CG2-CG 3.97Å
245L98.4Very high97.5Very high47 Ų4729.3 Ų29.325%0.24613%0.133CC..Hα-helixtrans-56.7-39.3176.2-85.2172.7000112.7S247 R249 E344 L348L245-S247 VanDerWaalsContact C-N 3.35Å; L245-R249 WeakPolarHBondContact O-CB 3.19Å; L245-R249 PolarHBondContact O-N 3.17Å; L245-E344 HydrophobicContact CD1-CB 4.36Å; L245-E344 HydrophobicContact CD2-CB 4.13Å; L245-E344 HydrophobicContact CG-CB 4.46Å; L245-L348 HydrophobicContact CD2-CB 4.25Å; L245-L348 HydrophobicContact CD2-CD2 3.7Å
246M98.1Very high97.4Very high0 Ų029.9 Ų29.90%014%0.136CC..Hα-helixtrans-59.8-44.7173.6-177.5-167.1178.700111.4A240 T244 R249 K250 D330 E333 A334 Q337A240-M246 HydrophobicContact CB-CB 4.26Å; A240-M246 HydrophobicContact CB-CE 3.95Å; A240-M246 HydrophobicContact CB-CG 3.69Å; A240-M246 HydrophobicContact CB-SD 3.66Å; T244-M246 VanDerWaalsContact C-N 3.28Å; T244-M246 PolarHBondContact O-N 3.11Å; M246-R249 PolarHBondContact O-N 3.23Å; M246-K250 HydrophobicContact CG-CG 4.38Å; M246-K250 WeakPolarHBondContact O-CG 3.36Å; M246-K250 PolarHBondContact O-N 3.18Å; M246-D330 HydrophobicContact CE-CB 3.74Å; M246-D330 WeakPolarHBondContact CE-O 3.4Å; M246-E333 HydrophobicContact CB-CG 4.21Å; M246-E333 HydrophobicContact CE-CB 4.38Å; M246-E333 HydrophobicContact CG-CG 4Å; M246-E333 HydrophobicContact SD-CB 4.07Å; M246-E333 HydrophobicContact SD-CG 3.84Å; M246-A334 HydrophobicContact CE-CB 4.17Å; M246-A334 VanDerWaalsContact SD-CA 3.56Å; M246-A334 HydrophobicContact SD-CB 3.83Å; M246-A334 PolarHBondContact SD-N 3.04Å; M246-Q337 VanDerWaalsContact CB-CD 3.46Å; M246-Q337 HydrophobicContact CB-CG 4.26Å; M246-Q337 VanDerWaalsContact CB-OE1 3.25Å
247S98.5Very high97.4Very high0 Ų034.2 Ų34.20%015%0.153CC..Hα-helixtrans-66.3-41.1-177.2-157.80000112.8G235 A236 A240 P241 T244 L245 A251G235-S247 CarbonylContact C-O 3.47Å; A236-S247 VanDerWaalsContact C-OG 3.29Å; A236-S247 PolarHBondContact N-O 2.89Å; A236-S247 VanDerWaalsContact N-O 3.1Å; A236-S247 PolarHBondContact N-OG 2.96Å; A236-S247 PolarHBondContact O-OG 3.32Å; A240-S247 PolarHBondContact O-OG 2.92Å; P241-S247 WeakPolarHBondContact O-CB 3.46Å; T244-S247 PolarHBondContact O-N 2.76Å; T244-S247 PolarHBondContact OG1-N 3.27Å; L245-S247 VanDerWaalsContact C-N 3.35Å; S247-A251 PolarHBondContact O-N 3Å; S247-A251 VanDerWaalsContact O-N 3.16Å
248F98.6Very high97.5Very high0 Ų034.2 Ų34.20%015%0.153CC..Hα-helixtrans-66.7-38.1171.1-64.1-63000112.4H243 T244 A251 L252 L259 A261 L273 L345 L348H243-F248 AromaticContact ND1-CZ 3.8Å; T244-F248 WeakPolarHBondContact O-CD2 3.34Å; T244-F248 PolarHBondContact O-N 3.34Å; T244-F248 VanDerWaalsContact O-N 3.09Å; F248-A251 WeakPolarHBondContact O-CB 3.43Å; F248-A251 PolarHBondContact O-N 2.75Å; F248-L252 WeakPolarHBondContact O-CG 3.13Å; F248-L252 PolarHBondContact O-N 2.96Å; F248-L259 HydrophobicContact CB-CD1 4.29Å; F248-L259 HydrophobicContact CD1-CB 4.12Å; F248-L259 HydrophobicContact CD1-CD1 3.96Å; F248-L259 HydrophobicContact CD1-CD2 4.4Å; F248-L259 HydrophobicContact CD1-CG 4.39Å; F248-L259 HydrophobicContact CE1-CB 4.39Å; F248-A261 HydrophobicContact CE1-CB 4.44Å; F248-A261 HydrophobicContact CZ-CB 4.24Å; F248-L273 HydrophobicContact CD2-CD1 4.46Å; F248-L273 HydrophobicContact CE2-CD1 3.45Å; F248-L273 VanDerWaalsContact CE2-CD1 3.45Å; F248-L273 HydrophobicContact CZ-CD1 3.76Å; F248-L345 HydrophobicContact CB-CD1 4.18Å; F248-L345 HydrophobicContact CD1-CD1 3.72Å; F248-L345 HydrophobicContact CD2-CD1 3.85Å; F248-L345 HydrophobicContact CE1-CD1 4.02Å; F248-L345 HydrophobicContact CE1-CD2 4.46Å; F248-L345 HydrophobicContact CE2-CD1 4.16Å; F248-L345 HydrophobicContact CG-CD1 3.63Å; F248-L345 HydrophobicContact CZ-CD1 4.24Å; F248-L345 HydrophobicContact CZ-CD2 4.26Å; F248-L348 HydrophobicContact CB-CD2 3.68Å
249R98.1Very high97.6Very high87 Ų8733 Ų3333%0.32815%0.147SC..Hα-helixtrans-64.1-43.9176.2-160.7-170.3-51125.210111.9L245 M246 A251 L252 E253 E333 L348L245-R249 WeakPolarHBondContact O-CB 3.19Å; L245-R249 PolarHBondContact O-N 3.17Å; M246-R249 PolarHBondContact O-N 3.23Å; R249-A251 VanDerWaalsContact C-N 3.25Å; R249-A251 PolarHBondContact O-N 3.47Å; R249-L252 CarbonylContact O-C 3.13Å; R249-L252 PolarHBondContact O-N 3.3Å; R249-E253 WeakPolarHBondContact O-CG 3.29Å; R249-E253 PolarHBondContact O-N 2.88Å; R249-E333 IonicContact CZ-OE1 3.36Å; R249-E333 VanDerWaalsContact NH1-CD 3.34Å; R249-E333 IonicContact NH1-OE1 3.42Å; R249-E333 PolarHBondContact NH1-OE1 3.42Å; R249-E333 IonicContact NH1-OE2 3.34Å; R249-E333 PolarHBondContact NH1-OE2 3.49Å; R249-E333 IonicContact NH2-OE1 3.15Å; R249-E333 PolarHBondContact NH2-OE1 2.66Å; R249-E333 VanDerWaalsContact NH2-OE1 3.15Å; R249-L348 HydrophobicContact CB-CD2 4.47Å
250K97.5Very high97.6Very high30 Ų3032 Ų3213%0.1314%0.141CC..Hα-helixtrans-59.9-33.8174.9-71.6-67172.5-162.40112.8A236 A240 M246 E253 Q254 D330A236-K250 HydrophobicContact CB-CB 3.93Å; A240-K250 HydrophobicContact CB-CG 4.19Å; M246-K250 HydrophobicContact CG-CG 4.38Å; M246-K250 WeakPolarHBondContact O-CG 3.36Å; M246-K250 PolarHBondContact O-N 3.18Å; K250-E253 WeakPolarHBondContact CD-OE2 3.35Å; K250-E253 IonicContact NZ-OE2 2.75Å; K250-E253 PolarHBondContact NZ-OE2 3.1Å; K250-Q254 WeakPolarHBondContact O-CG 3.49Å; K250-Q254 PolarHBondContact O-N 3.47Å; K250-Q254 PolarHBondContact O-NE2 2.87Å; K250-D330 WeakPolarHBondContact CE-OD1 3.41Å; K250-D330 IonicContact NZ-OD1 3.33Å; K250-D330 PolarHBondContact NZ-OD1 2.97Å; K250-D330 IonicContact NZ-OD2 3.41Å
251A97.9Very high97.6Very high0 Ų032 Ų320%014%0.141CC..Hα-helixtrans-71.7-38.4172.100000112.7A236 S247 F248 R249 Q254 K255 L256 L259A236-A251 HydrophobicContact CB-CB 4.18Å; S247-A251 PolarHBondContact O-N 3Å; S247-A251 VanDerWaalsContact O-N 3.16Å; F248-A251 WeakPolarHBondContact O-CB 3.43Å; F248-A251 PolarHBondContact O-N 2.75Å; R249-A251 VanDerWaalsContact C-N 3.25Å; R249-A251 PolarHBondContact O-N 3.47Å; A251-Q254 PolarHBondContact O-N 3.15Å; A251-K255 PolarHBondContact O-N 3.19Å; A251-L256 HydrophobicContact CB-CD1 3.84Å; A251-L256 WeakPolarHBondContact O-CG 3.2Å; A251-L256 PolarHBondContact O-N 2.84Å; A251-L259 HydrophobicContact CB-CD2 3.29Å
252L97.4Very high97.6Very high31 Ų3132.1 Ų32.116%0.16214%0.142CC..Hα-helixtrans-68.7-37174.6-66.5177.4000112.8F248 R249 Q254 K255 L259 L348 N352 A353F248-L252 WeakPolarHBondContact O-CG 3.13Å; F248-L252 PolarHBondContact O-N 2.96Å; R249-L252 CarbonylContact O-C 3.13Å; R249-L252 PolarHBondContact O-N 3.3Å; L252-Q254 PolarHBondContact O-N 3.12Å; L252-K255 WeakPolarHBondContact O-CA 3.36Å; L252-K255 PolarHBondContact O-N 2.92Å; L252-L259 HydrophobicContact CD2-CD1 4.02Å; L252-L259 HydrophobicContact CD2-CD2 4.47Å; L252-L259 HydrophobicContact CD2-CG 4.46Å; L252-L259 HydrophobicContact CG-CD1 4.23Å; L252-L348 HydrophobicContact CD1-CD1 4.2Å; L252-L348 HydrophobicContact CD1-CD2 4.48Å; L252-L348 HydrophobicContact CD1-CG 3.85Å; L252-L348 WeakPolarHBondContact CD1-O 3.32Å; L252-N352 HydrophobicContact CD1-CB 4.45Å; L252-N352 HydrophobicContact CD2-CB 3.87Å; L252-A353 HydrophobicContact CD2-CB 3.56Å
253E96.1Very high97.7Very high108 Ų10831.7 Ų31.751%0.50514%0.14SC..Hα-helixtrans-57.2-34.9173.1-76166.8-151.500111.8R249 K250 K255R249-E253 WeakPolarHBondContact O-CG 3.29Å; R249-E253 PolarHBondContact O-N 2.88Å; K250-E253 WeakPolarHBondContact CD-OE2 3.35Å; K250-E253 IonicContact NZ-OE2 2.75Å; K250-E253 PolarHBondContact NZ-OE2 3.1Å; E253-K255 VanDerWaalsContact C-N 3.28Å; E253-K255 PolarHBondContact O-N 2.96Å
254Q95.3Very high97.6Very high44 Ų4431.6 Ų31.621%0.20614%0.14CC..THydrogen-bonded Turntrans-78.3-4174.6-68.4169.366.700114.4K250 A251 L252 L256 S478K250-Q254 WeakPolarHBondContact O-CG 3.49Å; K250-Q254 PolarHBondContact O-N 3.47Å; K250-Q254 PolarHBondContact O-NE2 2.87Å; A251-Q254 PolarHBondContact O-N 3.15Å; L252-Q254 PolarHBondContact O-N 3.12Å; Q254-L256 VanDerWaalsContact C-N 3.3Å; Q254-L256 HydrophobicContact CB-CD2 3.86Å; Q254-L256 HydrophobicContact CB-CG 4Å; Q254-L256 PolarHBondContact O-N 2.82Å; Q254-S478 PolarHBondContact OE1-OG 3.04Å
255K95.4Very high97.6Very high192 Ų19231.6 Ų31.684%0.83514%0.14SC*.THydrogen-bonded Turntrans55.840.5-177.1-54.9175.4-177.6175.70113.2A251 L252 E253A251-K255 PolarHBondContact O-N 3.19Å; L252-K255 WeakPolarHBondContact O-CA 3.36Å; L252-K255 PolarHBondContact O-N 2.92Å; E253-K255 VanDerWaalsContact C-N 3.28Å; E253-K255 PolarHBondContact O-N 2.96Å
256L96.7Very high97.6Very high12 Ų1229.3 Ų29.36%0.06313%0.128CC..  trans-62.3151.3175.5-56.4-172.7000111.1L230 A251 Q254 G258 S478L230-L256 HydrophobicContact CB-CD2 3.91Å; L230-L256 HydrophobicContact CD1-CD2 4.3Å; A251-L256 HydrophobicContact CB-CD1 3.84Å; A251-L256 WeakPolarHBondContact O-CG 3.2Å; A251-L256 PolarHBondContact O-N 2.84Å; Q254-L256 VanDerWaalsContact C-N 3.3Å; Q254-L256 HydrophobicContact CB-CD2 3.86Å; Q254-L256 HydrophobicContact CB-CG 4Å; Q254-L256 PolarHBondContact O-N 2.82Å; L256-G258 VanDerWaalsContact C-N 3.26Å; L256-G258 PolarHBondContact O-N 2.88Å; L256-S478 VanDerWaalsContact CD1-CB 3.48Å
257Y96.9Very high97.6Very high91 Ų9131.9 Ų31.936%0.35714%0.141SC..SBendtrans-66.8-30.5-179.5170.9-108000112.5A229 L230 I231 T354 M391 R428A229-Y257 HydrophobicContact CB-CD1 3.95Å; A229-Y257 HydrophobicContact CB-CG 3.84Å; L230-Y257 WeakPolarHBondContact O-CB 3.49Å; L230-Y257 PolarHBondContact O-N 2.68Å; I231-Y257 HydrophobicContact CG1-CD1 4.23Å; Y257-T354 WeakPolarHBondContact O-CB 3.27Å; Y257-T354 PolarHBondContact O-N 3.46Å; Y257-T354 PolarHBondContact O-OG1 3.34Å; Y257-M391 HydrophobicContact CE1-CE 3.71Å; Y257-R428 PolarHBondContact OH-NH2 3.12Å
258G97.5Very high97.5Very high0 Ų035 Ų350%016%0.159CC..EExtended strand (participates in β ladder)trans-156.5174.2176.800000114.6L230 I231 G232 L256 T354L230-G258 PolarHBondContact O-N 3.46Å; I231-G258 CarbonylContact C-O 3.58Å; I231-G258 WeakPolarHBondContact CA-O 3.31Å; G232-G258 PolarHBondContact N-O 3.12Å; L256-G258 VanDerWaalsContact C-N 3.26Å; L256-G258 PolarHBondContact O-N 2.88Å; G258-T354 CarbonylContact C-O 3.6Å; G258-T354 WeakPolarHBondContact CA-O 3.36Å
259L98.5Very high97.5Very high1 Ų135.6 Ų35.61%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-124.3133.3173.7-50.9171.8000107.8F248 A251 L252 L345 A349 A353 T354 L355 L356F248-L259 HydrophobicContact CB-CD1 4.29Å; F248-L259 HydrophobicContact CD1-CB 4.12Å; F248-L259 HydrophobicContact CD1-CD1 3.96Å; F248-L259 HydrophobicContact CD1-CD2 4.4Å; F248-L259 HydrophobicContact CD1-CG 4.39Å; F248-L259 HydrophobicContact CE1-CB 4.39Å; A251-L259 HydrophobicContact CB-CD2 3.29Å; L252-L259 HydrophobicContact CD2-CD1 4.02Å; L252-L259 HydrophobicContact CD2-CD2 4.47Å; L252-L259 HydrophobicContact CD2-CG 4.46Å; L252-L259 HydrophobicContact CG-CD1 4.23Å; L259-L345 HydrophobicContact CD1-CD1 4.1Å; L259-A349 HydrophobicContact CD1-CB 3.91Å; L259-A353 HydrophobicContact CD1-CB 4.42Å; L259-A353 HydrophobicContact CG-CB 4.15Å; L259-T354 PolarHBondContact N-O 3.38Å; L259-L355 HydrophobicContact CB-CD2 3.89Å; L259-L355 HydrophobicContact CD1-CD2 4.1Å; L259-L355 HydrophobicContact CG-CD2 4.39Å; L259-L355 WeakPolarHBondContact O-CA 3.31Å; L259-L356 PolarHBondContact O-N 3.35Å
260Q98.4Very high97.5Very high12 Ų1233.5 Ų33.56%0.05616%0.161CC..EExtended strand (participates in β ladder)trans-93.3138.3167.9179.3-81.7-15.300109.1I231 G232 H233 R234 D262 L356 T474I231-Q260 HydrophobicContact CG2-CB 4.03Å; G232-Q260 PolarHBondContact O-N 2.86Å; H233-Q260 PolarHBondContact CD2-OE1 2.75Å; H233-Q260 VanDerWaalsContact CD2-OE1 3.3Å; R234-Q260 WeakPolarHBondContact CA-O 3.23Å; R234-Q260 PolarHBondContact N-O 3.41Å; Q260-D262 PolarHBondContact NE2-OD1 3.01Å; Q260-D262 PolarHBondContact NE2-OD2 2.8Å; Q260-L356 WeakPolarHBondContact CA-O 3.07Å; Q260-L356 HydrophobicContact CB-CB 4.21Å; Q260-L356 HydrophobicContact CB-CD2 4.09Å; Q260-L356 HydrophobicContact CG-CB 4.44Å; Q260-L356 HydrophobicContact CG-CD2 3.9Å; Q260-L356 HydrophobicContact CG-CG 4.27Å; Q260-T474 HydrophobicContact CB-CG2 4.17Å
261A98.1Very high97.5Very high0 Ų032.8 Ų32.80%016%0.159CC..EExtended strand (participates in β ladder)trans-137.3142177.600000110.6F248 L273 L345 L356 L357 N358F248-A261 HydrophobicContact CE1-CB 4.44Å; F248-A261 HydrophobicContact CZ-CB 4.24Å; A261-L273 HydrophobicContact CB-CD1 4.48Å; A261-L273 HydrophobicContact CB-CD2 4.15Å; A261-L345 HydrophobicContact CB-CD2 3.45Å; A261-L345 VanDerWaalsContact CB-CD2 3.45Å; A261-L356 PolarHBondContact N-O 2.91Å; A261-L357 HydrophobicContact CB-CD2 4.28Å; A261-N358 PolarHBondContact O-N 3.09Å
262D98.2Very high97.6Very high3 Ų332.8 Ų32.82%0.01616%0.159CC..EExtended strand (participates in β ladder)trans-107.6109177-66.1-69.9000109.2H243 Q260 L273 M274 H275 N358H243-D262 PolarHBondContact CE1-N 3.2Å; H243-D262 IonicContact CE1-OD2 2.88Å; H243-D262 PolarHBondContact CE1-OD2 3.38Å; H243-D262 VanDerWaalsContact CE1-OD2 3.23Å; H243-D262 IonicContact NE2-OD2 2.9Å; H243-D262 PolarHBondContact NE2-OD2 3.06Å; Q260-D262 PolarHBondContact NE2-OD1 3.01Å; Q260-D262 PolarHBondContact NE2-OD2 2.8Å; D262-L273 WeakPolarHBondContact O-CA 3.21Å; D262-M274 VanDerWaalsContact CB-O 3.24Å; D262-M274 WeakPolarHBondContact CB-O 3.49Å; D262-M274 PolarHBondContact O-N 3.43Å; D262-M274 VanDerWaalsContact O-O 3.13Å; D262-H275 IonicContact OD2-CD2 3.57Å; D262-N358 WeakPolarHBondContact CA-O 3.44Å; D262-N358 WeakPolarHBondContact OD1-CB 3.13Å; D262-N358 PolarHBondContact OD1-ND2 2.68Å
263I98.2Very high97.6Very high0 Ų031.4 Ų31.40%015%0.152CC..EExtended strand (participates in β ladder)trans-97.5135.2-174.7-59.8162.5000109.9P271 F272 L273 L342 L357 N358 L359 R360 T376I263-P271 HydrophobicContact CG2-CB 4.11Å; I263-F272 WeakPolarHBondContact CA-O 3.17Å; I263-L273 HydrophobicContact CB-CD2 4.5Å; I263-L273 HydrophobicContact CG1-CD2 3.64Å; I263-L342 HydrophobicContact CD1-CD1 3.63Å; I263-L342 HydrophobicContact CD1-CD2 4.01Å; I263-L342 HydrophobicContact CD1-CG 4.42Å; I263-L342 HydrophobicContact CG1-CD1 4.1Å; I263-L342 HydrophobicContact CG2-CD2 4.45Å; I263-L357 HydrophobicContact CD1-CB 4.14Å; I263-L357 HydrophobicContact CD1-CD1 4.05Å; I263-L357 HydrophobicContact CD1-CD2 3.92Å; I263-L357 HydrophobicContact CD1-CG 4.25Å; I263-N358 PolarHBondContact N-O 3.45Å; I263-L359 HydrophobicContact CB-CD1 4.44Å; I263-L359 HydrophobicContact CB-CG 4.18Å; I263-L359 HydrophobicContact CD1-CD1 3.96Å; I263-L359 HydrophobicContact CD1-CG 4.46Å; I263-L359 CarbonylContact O-C 3.43Å; I263-L359 WeakPolarHBondContact O-CA 3.28Å; I263-R360 PolarHBondContact O-N 3.24Å; I263-T376 HydrophobicContact CD1-CG2 3.94Å; I263-T376 HydrophobicContact CG2-CG2 4.06Å
264T97.3Very high97.7Very high5 Ų526.6 Ų26.63%0.03113%0.13CC..EExtended strand (participates in β ladder)trans-129.3-172.2159.5-161.40000109.4P271 F272 M274T264-P271 CarbonylContact O-C 3.53Å; T264-P271 VanDerWaalsContact O-CA 3.31Å; T264-P271 WeakPolarHBondContact O-CA 3.42Å; T264-F272 HydrophobicContact CG2-CD1 4.1Å; T264-F272 HydrophobicContact CG2-CD2 4.23Å; T264-F272 HydrophobicContact CG2-CE1 3.57Å; T264-F272 HydrophobicContact CG2-CE2 3.72Å; T264-F272 HydrophobicContact CG2-CG 4.41Å; T264-F272 HydrophobicContact CG2-CZ 3.37Å; T264-F272 PolarHBondContact N-O 3.19Å; T264-F272 PolarHBondContact O-N 2.61Å; T264-M274 HydrophobicContact CG2-CB 4.47Å
265I98.2Very high97.7Very high0 Ų026.2 Ų26.20%013%0.128CC..EExtended strand (participates in β ladder)trans-131141.9-177.3-171.4160.5000109.8S298 P362 Y368 F372 V375I265-S298 WeakPolarHBondContact O-CA 3.36Å; I265-S298 WeakPolarHBondContact O-CB 3.47Å; I265-P362 HydrophobicContact CG2-CB 4.18Å; I265-P362 HydrophobicContact CG2-CG 4.04Å; I265-Y368 HydrophobicContact CD1-CD1 4.11Å; I265-Y368 HydrophobicContact CD1-CD2 4.38Å; I265-Y368 HydrophobicContact CD1-CG 3.87Å; I265-F372 HydrophobicContact CB-CB 4.23Å; I265-F372 HydrophobicContact CD1-CB 3.95Å; I265-F372 HydrophobicContact CG2-CB 3.65Å; I265-F372 HydrophobicContact CG2-CD2 4.48Å; I265-F372 HydrophobicContact CG2-CG 4.33Å; I265-V375 HydrophobicContact CD1-CB 4.04Å; I265-V375 HydrophobicContact CD1-CG1 3.93Å; I265-V375 HydrophobicContact CD1-CG2 4.34Å
266S98.3Very high97.6Very high0 Ų017.3 Ų17.30%09%0.089CC..  trans-77.8167.4174.9670000112D268 G269 V270 S298 L300 H366S266-D268 WeakPolarHBondContact CB-OD1 3.49Å; S266-D268 PolarHBondContact O-N 3.32Å; S266-D268 PolarHBondContact OG-OD1 2.89Å; S266-G269 PolarHBondContact O-N 3.17Å; S266-G269 PolarHBondContact OG-N 3.33Å; S266-V270 PolarHBondContact N-O 2.99Å; S266-V270 WeakPolarHBondContact OG-CB 3.19Å; S266-V270 PolarHBondContact OG-N 3.44Å; S266-V270 PolarHBondContact OG-O 3.48Å; S266-S298 CarbonylContact C-O 3.54Å; S266-L300 WeakPolarHBondContact CB-O 3.4Å; S266-H366 PolarHBondContact O-CE1 3.43Å; S266-H366 PolarHBondContact O-NE2 3.31Å
267L97.9Very high97.5Very high53 Ų5320.2 Ų20.228%0.27712%0.115SC..THydrogen-bonded Turntrans-61.9-32.4-178.4-175.866.1000112.5S298 L300 N301 P367L267-S298 PolarHBondContact N-O 3.33Å; L267-L300 WeakPolarHBondContact CB-O 3.38Å; L267-L300 PolarHBondContact N-O 3.3Å; L267-N301 WeakPolarHBondContact CB-OD1 3.27Å; L267-P367 HydrophobicContact CD1-CG 3.96Å
268D98Very high97.4Very high67 Ų6717.4 Ų17.436%0.35811%0.108SC..THydrogen-bonded Turntrans-89.84.6174.953.2-5000114.1S266 N301 W302S266-D268 WeakPolarHBondContact CB-OD1 3.49Å; S266-D268 PolarHBondContact O-N 3.32Å; S266-D268 PolarHBondContact OG-OD1 2.89Å; D268-N301 WeakPolarHBondContact OD1-CA 3.3Å; D268-N301 WeakPolarHBondContact OD2-CB 3.12Å; D268-W302 VanDerWaalsContact CG-N 3.31Å; D268-W302 PolarHBondContact OD1-N 3.24Å; D268-W302 PolarHBondContact OD2-N 3.49Å
269G97.6Very high97.3Very high11 Ų1117.5 Ų17.511%0.11311%0.108CC..SBendtrans96.112.8165.300000116.9S266 P271S266-G269 PolarHBondContact O-N 3.17Å; S266-G269 PolarHBondContact OG-N 3.33Å; G269-P271 WeakPolarHBondContact O-CD 3.17Å
270V98.3Very high97.1Very high44 Ų4420 Ų2027%0.26712%0.118SC..  trans-88121.7178.3-174.90000110.2S266 W302S266-V270 PolarHBondContact N-O 2.99Å; S266-V270 WeakPolarHBondContact OG-CB 3.19Å; S266-V270 PolarHBondContact OG-N 3.44Å; S266-V270 PolarHBondContact OG-O 3.48Å; V270-W302 HydrophobicContact CB-CB 3.95Å; V270-W302 HydrophobicContact CB-CD2 4.16Å; V270-W302 HydrophobicContact CB-CG 3.86Å; V270-W302 HydrophobicContact CG1-CD2 3.84Å; V270-W302 HydrophobicContact CG1-CE3 4.33Å; V270-W302 HydrophobicContact CG1-CG 3.9Å; V270-W302 HydrophobicContact CG2-CB 3.71Å; V270-W302 HydrophobicContact CG2-CG 3.8Å
271P98.4Very high97Very high15 Ų1520 Ų2010%0.09712%0.117CC..EExtended strand (participates in β ladder)trans-71.1128.7173.3-1933.4000111.6I263 T264 G269 L342 V375 A379I263-P271 HydrophobicContact CG2-CB 4.11Å; T264-P271 CarbonylContact O-C 3.53Å; T264-P271 VanDerWaalsContact O-CA 3.31Å; T264-P271 WeakPolarHBondContact O-CA 3.42Å; G269-P271 WeakPolarHBondContact O-CD 3.17Å; P271-L342 HydrophobicContact CB-CB 3.91Å; P271-L342 HydrophobicContact CB-CD2 3.82Å; P271-L342 HydrophobicContact CG-CD2 4.49Å; P271-L342 WeakPolarHBondContact O-CB 3.34Å; P271-L342 PolarHBondContact O-N 2.92Å; P271-V375 HydrophobicContact CG-CG1 3.97Å; P271-A379 HydrophobicContact CG-CB 4.43Å
272F98.6Very high96.9Very high0 Ų020.3 Ų20.30%012%0.119CC..EExtended strand (participates in β ladder)trans-140.5164.8-177.275.6-89.1000112.9I263 T264 M274 A297 W302 L305 I339I263-F272 WeakPolarHBondContact CA-O 3.17Å; T264-F272 HydrophobicContact CG2-CD1 4.1Å; T264-F272 HydrophobicContact CG2-CD2 4.23Å; T264-F272 HydrophobicContact CG2-CE1 3.57Å; T264-F272 HydrophobicContact CG2-CE2 3.72Å; T264-F272 HydrophobicContact CG2-CG 4.41Å; T264-F272 HydrophobicContact CG2-CZ 3.37Å; T264-F272 PolarHBondContact N-O 3.19Å; T264-F272 PolarHBondContact O-N 2.61Å; F272-M274 HydrophobicContact CD2-CB 4.26Å; F272-M274 HydrophobicContact CE2-CB 3.86Å; F272-A297 HydrophobicContact CE2-CB 4.42Å; F272-A297 HydrophobicContact CZ-CB 4.05Å; F272-W302 HydrophobicContact CB-CE3 4.02Å; F272-W302 HydrophobicContact CB-CH2 4.09Å; F272-W302 HydrophobicContact CB-CZ3 3.4Å; F272-W302 HydrophobicContact CD1-CE3 4.46Å; F272-W302 HydrophobicContact CD1-CZ3 4.49Å; F272-W302 HydrophobicContact CD2-CZ3 4.47Å; F272-W302 HydrophobicContact CG-CE3 4.34Å; F272-W302 AromaticContact CG-CZ3 3.92Å; F272-W302 HydrophobicContact CG-CZ3 3.92Å; F272-L305 HydrophobicContact CD1-CD1 3.88Å; F272-L305 HydrophobicContact CE1-CD1 3.45Å; F272-L305 VanDerWaalsContact CE1-CD1 3.45Å; F272-L305 HydrophobicContact CE2-CD1 4.13Å; F272-L305 HydrophobicContact CE2-CD2 4.44Å; F272-L305 HydrophobicContact CG-CD1 4.39Å; F272-L305 HydrophobicContact CZ-CD1 3.58Å; F272-L305 HydrophobicContact CZ-CD2 4.26Å; F272-I339 HydrophobicContact CD2-CG2 3.62Å; F272-I339 HydrophobicContact CE2-CG2 4.27Å; F272-I339 HydrophobicContact CG-CG2 4.43Å
273L98.4Very high96.9Very high1 Ų120.7 Ų20.71%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-100131.4-172.4-51.1-175.2000111.6H243 F248 A261 D262 I263 C340 L345H243-L273 HydrophobicContact CB-CB 3.93Å; F248-L273 HydrophobicContact CD2-CD1 4.46Å; F248-L273 HydrophobicContact CE2-CD1 3.45Å; F248-L273 VanDerWaalsContact CE2-CD1 3.45Å; F248-L273 HydrophobicContact CZ-CD1 3.76Å; A261-L273 HydrophobicContact CB-CD1 4.48Å; A261-L273 HydrophobicContact CB-CD2 4.15Å; D262-L273 WeakPolarHBondContact O-CA 3.21Å; I263-L273 HydrophobicContact CB-CD2 4.5Å; I263-L273 HydrophobicContact CG1-CD2 3.64Å; L273-C340 HydrophobicContact CB-CB 4.41Å; L273-C340 WeakPolarHBondContact CB-O 3.4Å; L273-C340 HydrophobicContact CD1-CB 4.05Å; L273-C340 HydrophobicContact CG-CB 4.41Å; L273-C340 PolarHBondContact N-O 3.29Å; L273-L345 HydrophobicContact CD1-CB 3.82Å; L273-L345 HydrophobicContact CD1-CD2 3.63Å; L273-L345 HydrophobicContact CD1-CG 4.28Å; L273-L345 HydrophobicContact CD2-CD2 4.34Å
274M97.4Very high96.8Very high7 Ų721.7 Ų21.73%0.03413%0.127CC..  trans-167.6143.7-178.4-177.552.153.300108.1D262 T264 F272 L279 T282 T283 A297 I339 R360D262-M274 VanDerWaalsContact CB-O 3.24Å; D262-M274 WeakPolarHBondContact CB-O 3.49Å; D262-M274 PolarHBondContact O-N 3.43Å; D262-M274 VanDerWaalsContact O-O 3.13Å; T264-M274 HydrophobicContact CG2-CB 4.47Å; F272-M274 HydrophobicContact CD2-CB 4.26Å; F272-M274 HydrophobicContact CE2-CB 3.86Å; M274-L279 HydrophobicContact CE-CD2 3.61Å; M274-L279 HydrophobicContact SD-CD2 4.28Å; M274-T282 PolarHBondContact SD-OG1 2.84Å; M274-T282 VanDerWaalsContact SD-OG1 3.38Å; M274-T283 HydrophobicContact CE-CG2 4.49Å; M274-A297 HydrophobicContact CG-CB 4.44Å; M274-I339 HydrophobicContact CE-CD1 4.26Å; M274-I339 HydrophobicContact CE-CG1 4.41Å; M274-I339 HydrophobicContact CE-CG2 4.47Å; M274-R360 PolarHBondContact O-NH1 3.47Å; M274-R360 PolarHBondContact O-NH2 3.24Å
275H95.6Very high96.8Very high36 Ų3621.5 Ų21.517%0.16713%0.126CC..SBendtrans-90.6-34.2171.2179.8-97.3000113.8W74 R234 E242 H243 D262 R360W74-H275 AromaticContact CE2-CE1 3.63Å; W74-H275 AromaticContact CE2-ND1 3.96Å; W74-H275 AromaticContact CZ2-CE1 3.61Å; W74-H275 AromaticContact NE1-CE1 3.71Å; W74-H275 AromaticContact NE1-ND1 3.58Å; R234-H275 VanDerWaalsContact CZ-CD2 3.41Å; R234-H275 PolarHBondContact NE-CD2 3.01Å; R234-H275 PolarHBondContact NH2-CD2 3.31Å; R234-H275 PolarHBondContact NH2-CE1 2.75Å; R234-H275 PolarHBondContact NH2-NE2 3.27Å; R234-H275 VanDerWaalsContact NH2-NE2 3.15Å; E242-H275 WeakPolarHBondContact OE1-CB 3.47Å; H243-H275 PolarHBondContact CD2-N 3Å; D262-H275 IonicContact OD2-CD2 3.57Å; H275-R360 PolarHBondContact O-NE 3.11Å; H275-R360 VanDerWaalsContact O-NE 3.17Å; H275-R360 PolarHBondContact O-NH1 2.83Å; H275-R360 PolarHBondContact O-NH2 2.95Å
276D94Very high96.7Very high5 Ų525.9 Ų25.93%0.02715%0.146CC..SBendtrans-92.6170-168.6-65.6-7.5000113W74 T278 R281 R360W74-D276 PolarHBondContact NE1-OD1 2.85Å; D276-T278 WeakPolarHBondContact CB-O 3.41Å; D276-R281 VanDerWaalsContact CG-NH2 3.33Å; D276-R281 IonicContact OD1-CZ 3.14Å; D276-R281 IonicContact OD1-NE 2.75Å; D276-R281 IonicContact OD1-NH2 3.85Å; D276-R281 PolarHBondContact OD1-NH2 3.3Å; D276-R281 VanDerWaalsContact OD2-CB 3.31Å; D276-R281 WeakPolarHBondContact OD2-CB 3.39Å; D276-R281 IonicContact OD2-CZ 3.34Å; D276-R281 IonicContact OD2-NE 3.52Å; D276-R281 PolarHBondContact OD2-NE 2.94Å; D276-R281 IonicContact OD2-NH2 2.75Å; D276-R281 PolarHBondContact OD2-NH2 3.26Å; D276-R360 PolarHBondContact O-NH2 3.04Å
277A92.9Very high96.6Very high74 Ų7431.7 Ų31.761%0.61217%0.173SC*.SBendtrans-76.2-28.8171.600000112.6P296 A297A277-P296 CarbonylContact O-C 3.5Å; A277-P296 WeakPolarHBondContact O-CA 3.49Å; A277-A297 PolarHBondContact O-N 2.94Å
278T94.7Very high96.5Very high32 Ų3233.4 Ų33.420%0.19618%0.18CC..SBendtrans-123.9173179.269.20000109.9D276D276-T278 WeakPolarHBondContact CB-O 3.41Å
279L96Very high96.4Very high1 Ų131.7 Ų31.71%0.00517%0.169CC..SBendtrans-95.32.3-173.9-63.8164.3000113.4M274 R281 T283 V285 A297 L300 L305 L308 I339M274-L279 HydrophobicContact CE-CD2 3.61Å; M274-L279 HydrophobicContact SD-CD2 4.28Å; L279-R281 PolarHBondContact O-N 2.95Å; L279-T283 HydrophobicContact CB-CG2 4.27Å; L279-T283 HydrophobicContact CD2-CG2 4.22Å; L279-T283 WeakPolarHBondContact O-CB 3.49Å; L279-T283 PolarHBondContact O-N 3.36Å; L279-T283 PolarHBondContact O-OG1 3.31Å; L279-V285 HydrophobicContact CB-CB 3.99Å; L279-V285 HydrophobicContact CB-CG1 3.74Å; L279-V285 HydrophobicContact CB-CG2 4.33Å; L279-V285 HydrophobicContact CD1-CG2 4.47Å; L279-A297 HydrophobicContact CD1-CB 4.33Å; L279-A297 HydrophobicContact CD2-CB 3.68Å; L279-A297 HydrophobicContact CG-CB 3.75Å; L279-L300 HydrophobicContact CD1-CD1 3.5Å; L279-L305 HydrophobicContact CD1-CD2 3.53Å; L279-L305 HydrophobicContact CD2-CD2 4.04Å; L279-L305 HydrophobicContact CG-CD2 4.41Å; L279-L308 HydrophobicContact CD1-CD1 3.7Å; L279-I339 HydrophobicContact CD2-CD1 3.86Å
280R95.1Very high96.3Very high55 Ų5535 Ų3521%0.20819%0.189CC..THydrogen-bonded Turntrans-67.5-35.5-166-61.9179.965.2-113-11.8115.4Y77 G81 E286 A293Y77-R280 WeakPolarHBondContact OH-CB 3.02Å; Y77-R280 PolarHBondContact OH-NH1 3.02Å; G81-R280 PolarHBondContact O-NH1 3.22Å; G81-R280 PolarHBondContact O-NH2 3.29Å; R280-E286 HydrophobicContact CG-CG 4.49Å; R280-E286 IonicContact CZ-OE1 3.14Å; R280-E286 IonicContact NE-OE1 2.8Å; R280-E286 PolarHBondContact NE-OE1 3.48Å; R280-E286 IonicContact NH2-OE1 3.68Å; R280-E286 PolarHBondContact NH2-OE1 3.44Å; R280-E286 IonicContact NH2-OE2 3.85Å; R280-A293 HydrophobicContact CG-CB 4.24Å; R280-A293 WeakPolarHBondContact CG-O 3.19Å
281R95.1Very high96.2Very high10 Ų1039.3 Ų39.34%0.03821%0.206CC..THydrogen-bonded Turntrans-78.9-40.8-176.6-176.4177.358.291.63111.8Y77 W83 E242 D276 L279Y77-R281 HydrophobicContact CE1-CB 4Å; Y77-R281 HydrophobicContact CE2-CB 4.35Å; Y77-R281 PolarHBondContact OH-N 3.03Å; W83-R281 HydrophobicContact CE3-CG 4.28Å; E242-R281 IonicContact OE1-CZ 3.52Å; E242-R281 IonicContact OE1-NH1 3.66Å; E242-R281 IonicContact OE1-NH2 3.97Å; E242-R281 PolarHBondContact OE1-NH2 3.27Å; E242-R281 IonicContact OE2-CZ 2.69Å; E242-R281 IonicContact OE2-NH1 3.8Å; E242-R281 PolarHBondContact OE2-NH1 2.89Å; E242-R281 IonicContact OE2-NH2 3.46Å; E242-R281 PolarHBondContact OE2-NH2 3Å; D276-R281 VanDerWaalsContact CG-NH2 3.33Å; D276-R281 IonicContact OD1-CZ 3.14Å; D276-R281 IonicContact OD1-NE 2.75Å; D276-R281 IonicContact OD1-NH2 3.85Å; D276-R281 PolarHBondContact OD1-NH2 3.3Å; D276-R281 VanDerWaalsContact OD2-CB 3.31Å; D276-R281 WeakPolarHBondContact OD2-CB 3.39Å; D276-R281 IonicContact OD2-CZ 3.34Å; D276-R281 IonicContact OD2-NE 3.52Å; D276-R281 PolarHBondContact OD2-NE 2.94Å; D276-R281 IonicContact OD2-NH2 2.75Å; D276-R281 PolarHBondContact OD2-NH2 3.26Å; L279-R281 PolarHBondContact O-N 2.95Å
282T96.6Very high96Very high7 Ų739.9 Ų39.94%0.04321%0.208CC..THydrogen-bonded Turntrans-111.510.2-165.155.70000114.1E242 M274 A310 W313E242-T282 HydrophobicContact CG-CG2 4.13Å; M274-T282 PolarHBondContact SD-OG1 2.84Å; M274-T282 VanDerWaalsContact SD-OG1 3.38Å; T282-A310 CarbonylContact O-C 3.57Å; T282-A310 VanDerWaalsContact O-CA 3.28Å; T282-A310 WeakPolarHBondContact O-CA 3.44Å; T282-W313 HydrophobicContact CG2-CD2 4.37Å; T282-W313 HydrophobicContact CG2-CH2 4.14Å; T282-W313 HydrophobicContact CG2-CZ2 3.83Å; T282-W313 PolarHBondContact O-NE1 3.44Å
283T97.8Very high95.7Very high11 Ų1140 Ų407%0.06721%0.209CC..SBendtrans-146.6168.3177780000113.4M274 L279 V285 L308 N309 A310 I339M274-T283 HydrophobicContact CE-CG2 4.49Å; L279-T283 HydrophobicContact CB-CG2 4.27Å; L279-T283 HydrophobicContact CD2-CG2 4.22Å; L279-T283 WeakPolarHBondContact O-CB 3.49Å; L279-T283 PolarHBondContact O-N 3.36Å; L279-T283 PolarHBondContact O-OG1 3.31Å; T283-V285 PolarHBondContact O-N 2.83Å; T283-V285 WeakPolarHBondContact OG1-CB 3.13Å; T283-V285 PolarHBondContact OG1-N 2.8Å; T283-L308 HydrophobicContact CG2-CB 4.44Å; T283-L308 HydrophobicContact CG2-CD1 4.49Å; T283-N309 CarbonylContact C-O 3.32Å; T283-N309 WeakPolarHBondContact CA-O 3.46Å; T283-N309 WeakPolarHBondContact CB-O 3.32Å; T283-A310 HydrophobicContact CG2-CB 4.42Å; T283-I339 HydrophobicContact CG2-CD1 4.07Å; T283-I339 HydrophobicContact CG2-CG1 4.21Å
284N97.3Very high95.5Very high22 Ų2250.1 Ų50.112%0.11825%0.247CC..SBendtrans-81.723.6170.973.2-27.2000114.7E286 E287 E288 N309N284-E286 PolarHBondContact O-N 3.45Å; N284-E286 VanDerWaalsContact O-N 3.16Å; N284-E287 PolarHBondContact O-N 3.39Å; N284-E288 VanDerWaalsContact ND2-CG 3.33Å; N284-E288 WeakPolarHBondContact ND2-CG 3.43Å; N284-E288 PolarHBondContact O-N 3.34Å; N284-N309 HydrophobicContact CB-CB 4.47Å; N284-N309 PolarHBondContact N-O 3.33Å; N284-N309 VanDerWaalsContact N-O 3.1Å; N284-N309 PolarHBondContact OD1-N 2.91Å
285V97.3Very high95.4Very high1 Ų155.2 Ų55.21%0.00627%0.266CS..Hα-helixtrans-56.9-32.1-177.869.90000113.9L279 T283 E287 F289 L292 A293 L308L279-V285 HydrophobicContact CB-CB 3.99Å; L279-V285 HydrophobicContact CB-CG1 3.74Å; L279-V285 HydrophobicContact CB-CG2 4.33Å; L279-V285 HydrophobicContact CD1-CG2 4.47Å; T283-V285 PolarHBondContact O-N 2.83Å; T283-V285 WeakPolarHBondContact OG1-CB 3.13Å; T283-V285 PolarHBondContact OG1-N 2.8Å; V285-E287 PolarHBondContact O-N 3.32Å; V285-F289 HydrophobicContact CG2-CB 4.41Å; V285-F289 CarbonylContact O-C 3.57Å; V285-F289 WeakPolarHBondContact O-CA 3.31Å; V285-F289 PolarHBondContact O-N 3.23Å; V285-F289 VanDerWaalsContact O-O 3.1Å; V285-L292 HydrophobicContact CG2-CB 4.47Å; V285-A293 HydrophobicContact CG1-CB 3.85Å; V285-A293 HydrophobicContact CG2-CB 4.28Å; V285-L308 HydrophobicContact CB-CD1 4.1Å; V285-L308 HydrophobicContact CB-CD2 4.03Å; V285-L308 HydrophobicContact CG2-CD1 4.21Å; V285-L308 HydrophobicContact CG2-CD2 4.32Å
286E95.1Very high95.4Very high92 Ų9255.7 Ų55.743%0.4327%0.273SS..Hα-helixtrans-70.6-16.3177.5-70.8-170.214900113.2R280 N284 A293R280-E286 HydrophobicContact CG-CG 4.49Å; R280-E286 IonicContact CZ-OE1 3.14Å; R280-E286 IonicContact NE-OE1 2.8Å; R280-E286 PolarHBondContact NE-OE1 3.48Å; R280-E286 IonicContact NH2-OE1 3.68Å; R280-E286 PolarHBondContact NH2-OE1 3.44Å; R280-E286 IonicContact NH2-OE2 3.85Å; N284-E286 PolarHBondContact O-N 3.45Å; N284-E286 VanDerWaalsContact O-N 3.16Å; E286-A293 HydrophobicContact CG-CB 3.6Å
287E95.4Very high95.6Very high121 Ų12155.6 Ų55.657%0.56527%0.272SS*.Hα-helixtrans-99.2-42.1178.9-59.5175.4-175.300110.8N284 V285 K316N284-E287 PolarHBondContact O-N 3.39Å; V285-E287 PolarHBondContact O-N 3.32Å; E287-K316 IonicContact OE1-NZ 3.69Å; E287-K316 PolarHBondContact OE1-NZ 3.31Å; E287-K316 VanDerWaalsContact OE1-NZ 3.11Å
288E96.4Very high95.8Very high89 Ų8952.4 Ų52.442%0.41625%0.245SC..Hα-helixtrans-83.2-40.3-179.7-71.9-75.614200114.5N284 R307 L308N284-E288 VanDerWaalsContact ND2-CG 3.33Å; N284-E288 WeakPolarHBondContact ND2-CG 3.43Å; N284-E288 PolarHBondContact O-N 3.34Å; E288-R307 IonicContact OE2-NH2 2.95Å; E288-L308 HydrophobicContact CB-CD2 4.08Å; E288-L308 HydrophobicContact CG-CD2 4.42Å
289F96.8Very high95.9Very high31 Ų3152.1 Ų52.114%0.13624%0.242CC..  trans-143.469.3-174.6-55.5-71.8000111.6V285 E291 L292 A293 T304 R307 L308V285-F289 HydrophobicContact CG2-CB 4.41Å; V285-F289 CarbonylContact O-C 3.57Å; V285-F289 WeakPolarHBondContact O-CA 3.31Å; V285-F289 PolarHBondContact O-N 3.23Å; V285-F289 VanDerWaalsContact O-O 3.1Å; F289-E291 PolarHBondContact O-N 2.89Å; F289-E291 VanDerWaalsContact O-N 3.09Å; F289-L292 HydrophobicContact CB-CB 3.95Å; F289-L292 HydrophobicContact CB-CD1 3.84Å; F289-L292 HydrophobicContact CB-CG 3.99Å; F289-L292 HydrophobicContact CD1-CD1 4.39Å; F289-L292 HydrophobicContact CG-CD1 4.07Å; F289-L292 PolarHBondContact O-N 3.49Å; F289-A293 PolarHBondContact O-N 3.41Å; F289-T304 HydrophobicContact CD2-CG2 4.15Å; F289-T304 HydrophobicContact CE2-CG2 3.92Å; F289-T304 HydrophobicContact CZ-CG2 4.29Å; F289-R307 HydrophobicContact CE2-CB 4.49Å; F289-L308 HydrophobicContact CD2-CD2 3.95Å; F289-L308 HydrophobicContact CE2-CD2 4.25Å
290P95.1Very high96Very high82 Ų8252.3 Ų52.353%0.53224%0.243SC..THydrogen-bonded Turntrans-54.8-33.9-172.5-23.531.8000114.2L292 A293P290-L292 VanDerWaalsContact C-N 3.32Å; P290-L292 PolarHBondContact O-N 3.09Å; P290-A293 WeakPolarHBondContact O-CB 3.37Å; P290-A293 PolarHBondContact O-N 2.85Å
291E96Very high96.1Very high134 Ų13452.9 Ų52.963%0.62625%0.25SS*.THydrogen-bonded Turntrans-70.2-24.7177.674.9-67.1163.400113.8F289F289-E291 PolarHBondContact O-N 2.89Å; F289-E291 VanDerWaalsContact O-N 3.09Å
292L95.4Very high96.3Very high27 Ų2753.7 Ų53.714%0.14125%0.253CS..THydrogen-bonded Turntrans-91.2-17.4177.4-58.4-176.7000112.7V285 F289 P290 R294 R295 L300 T304V285-L292 HydrophobicContact CG2-CB 4.47Å; F289-L292 HydrophobicContact CB-CB 3.95Å; F289-L292 HydrophobicContact CB-CD1 3.84Å; F289-L292 HydrophobicContact CB-CG 3.99Å; F289-L292 HydrophobicContact CD1-CD1 4.39Å; F289-L292 HydrophobicContact CG-CD1 4.07Å; F289-L292 PolarHBondContact O-N 3.49Å; P290-L292 VanDerWaalsContact C-N 3.32Å; P290-L292 PolarHBondContact O-N 3.09Å; L292-R294 VanDerWaalsContact C-N 3.3Å; L292-R294 PolarHBondContact O-N 3.46Å; L292-R294 VanDerWaalsContact O-N 3.17Å; L292-R295 WeakPolarHBondContact O-CB 3.31Å; L292-R295 PolarHBondContact O-N 3.09Å; L292-L300 HydrophobicContact CB-CD1 4.27Å; L292-L300 HydrophobicContact CB-CD2 4.22Å; L292-L300 HydrophobicContact CD1-CD1 4.33Å; L292-L300 HydrophobicContact CD1-CD2 4.03Å; L292-L300 HydrophobicContact CD2-CD2 3.94Å; L292-L300 HydrophobicContact CG-CD2 4.29Å; L292-T304 HydrophobicContact CD1-CG2 3.95Å
293A92.4Very high96.3Very high3 Ų357.6 Ų57.63%0.02528%0.278CS..THydrogen-bonded Turntrans-53.7-40.8-172.800000114.3R280 V285 E286 F289 P290R280-A293 HydrophobicContact CG-CB 4.24Å; R280-A293 WeakPolarHBondContact CG-O 3.19Å; V285-A293 HydrophobicContact CG1-CB 3.85Å; V285-A293 HydrophobicContact CG2-CB 4.28Å; E286-A293 HydrophobicContact CG-CB 3.6Å; F289-A293 PolarHBondContact O-N 3.41Å; P290-A293 WeakPolarHBondContact O-CB 3.37Å; P290-A293 PolarHBondContact O-N 2.85Å
294R92.8Very high96.3Very high212 Ų21258.7 Ų58.780%0.828%0.284SS*.THydrogen-bonded Turntrans-86-5.2178.7-61.7-174.7-177.3-1610114L292L292-R294 VanDerWaalsContact C-N 3.3Å; L292-R294 PolarHBondContact O-N 3.46Å; L292-R294 VanDerWaalsContact O-N 3.17Å
295R95.2Very high96.3Very high115 Ų11557.7 Ų57.743%0.43428%0.279SS..SBendtrans-76.6145.8179.9-153.3173-173.1-167.30.5109.2L292 A297 M299L292-R295 WeakPolarHBondContact O-CB 3.31Å; L292-R295 PolarHBondContact O-N 3.09Å; R295-A297 PolarHBondContact O-N 3.33Å; R295-M299 HydrophobicContact CG-CB 4.22Å
296P96.6Very high96.3Very high46 Ų4662.4 Ų62.430%0.29930%0.301SS..  trans-59.2136.9175.6-24.634.1000111A277 S298 M299 P363A277-P296 CarbonylContact O-C 3.5Å; A277-P296 WeakPolarHBondContact O-CA 3.49Å; P296-S298 PolarHBondContact O-N 3.18Å; P296-S298 VanDerWaalsContact O-N 3.16Å; P296-M299 HydrophobicContact CB-CG 3.99Å; P296-M299 HydrophobicContact CG-CG 4.2Å; P296-M299 WeakPolarHBondContact O-CB 3.34Å; P296-M299 PolarHBondContact O-N 2.85Å; P296-P363 HydrophobicContact CB-CG 3.79Å; P296-P363 HydrophobicContact CG-CG 3.96Å
297A96.8Very high96.4Very high2 Ų265.3 Ų65.32%0.01731%0.308CS..G310 helixtrans-56-36.6-174.400000112.8F272 M274 A277 L279 R295 M299 L300F272-A297 HydrophobicContact CE2-CB 4.42Å; F272-A297 HydrophobicContact CZ-CB 4.05Å; M274-A297 HydrophobicContact CG-CB 4.44Å; A277-A297 PolarHBondContact O-N 2.94Å; L279-A297 HydrophobicContact CD1-CB 4.33Å; L279-A297 HydrophobicContact CD2-CB 3.68Å; L279-A297 HydrophobicContact CG-CB 3.75Å; R295-A297 PolarHBondContact O-N 3.33Å; A297-M299 VanDerWaalsContact C-N 3.28Å; A297-M299 PolarHBondContact O-N 3.47Å; A297-L300 PolarHBondContact O-N 2.85Å
298S97.6Very high96.5Very high7 Ų759.7 Ų59.75%0.04928%0.281CS..G310 helixtrans-68.2-20.3175.844.40000114.4I265 S266 L267 P296 L300 P363 H366I265-S298 WeakPolarHBondContact O-CA 3.36Å; I265-S298 WeakPolarHBondContact O-CB 3.47Å; S266-S298 CarbonylContact C-O 3.54Å; L267-S298 PolarHBondContact N-O 3.33Å; P296-S298 PolarHBondContact O-N 3.18Å; P296-S298 VanDerWaalsContact O-N 3.16Å; S298-L300 PolarHBondContact O-N 3.34Å; S298-P363 WeakPolarHBondContact OG-CD 3.26Å; S298-H366 PolarHBondContact O-CD2 2.86Å; S298-H366 PolarHBondContact O-NE2 2.66Å
299M97.8Very high96.6Very high26 Ų2656.4 Ų56.413%0.12827%0.267CS..G310 helixtrans-84.413.6178.3-61.8-65-64.900113R295 P296 A297 P363 H366R295-M299 HydrophobicContact CG-CB 4.22Å; P296-M299 HydrophobicContact CB-CG 3.99Å; P296-M299 HydrophobicContact CG-CG 4.2Å; P296-M299 WeakPolarHBondContact O-CB 3.34Å; P296-M299 PolarHBondContact O-N 2.85Å; A297-M299 VanDerWaalsContact C-N 3.28Å; A297-M299 PolarHBondContact O-N 3.47Å; M299-P363 HydrophobicContact CG-CG 4.05Å; M299-P363 HydrophobicContact SD-CB 4.35Å; M299-P363 HydrophobicContact SD-CG 4.26Å; M299-H366 HydrophobicContact SD-CB 4.14Å
300L97.9Very high96.7Very high6 Ų655.2 Ų55.23%0.03126%0.263CS..SBendtrans-113.4151.3174.3-54-169.5000110.9S266 L267 L279 L292 A297 S298 T304 L305S266-L300 WeakPolarHBondContact CB-O 3.4Å; L267-L300 WeakPolarHBondContact CB-O 3.38Å; L267-L300 PolarHBondContact N-O 3.3Å; L279-L300 HydrophobicContact CD1-CD1 3.5Å; L292-L300 HydrophobicContact CB-CD1 4.27Å; L292-L300 HydrophobicContact CB-CD2 4.22Å; L292-L300 HydrophobicContact CD1-CD1 4.33Å; L292-L300 HydrophobicContact CD1-CD2 4.03Å; L292-L300 HydrophobicContact CD2-CD2 3.94Å; L292-L300 HydrophobicContact CG-CD2 4.29Å; A297-L300 PolarHBondContact O-N 2.85Å; S298-L300 PolarHBondContact O-N 3.34Å; L300-T304 HydrophobicContact CD1-CG2 4.42Å; L300-L305 HydrophobicContact CB-CD2 4.2Å; L300-L305 HydrophobicContact CB-CG 4.18Å; L300-L305 HydrophobicContact CD1-CD2 4.25Å
301N98Very high96.8Very high66 Ų6651.3 Ų51.335%0.35324%0.237SC..  trans-73.4151.3173.4-70.5-10.8000111L267 D268 T303 T304 L305L267-N301 WeakPolarHBondContact CB-OD1 3.27Å; D268-N301 WeakPolarHBondContact OD1-CA 3.3Å; D268-N301 WeakPolarHBondContact OD2-CB 3.12Å; N301-T303 VanDerWaalsContact C-N 3.26Å; N301-T303 PolarHBondContact O-N 3.41Å; N301-T304 WeakPolarHBondContact O-CB 3.42Å; N301-T304 PolarHBondContact O-N 2.62Å; N301-L305 WeakPolarHBondContact O-CG 3.41Å; N301-L305 PolarHBondContact O-N 3.07Å; N301-L305 VanDerWaalsContact O-N 3.1Å
302W98.1Very high96.8Very high27 Ų2749.2 Ų49.210%0.10223%0.228CC..Hα-helixtrans-57.8-38.5178.6-176.6-120.6000112.4D268 V270 F272 T304 L305 Q306 I339D268-W302 VanDerWaalsContact CG-N 3.31Å; D268-W302 PolarHBondContact OD1-N 3.24Å; D268-W302 PolarHBondContact OD2-N 3.49Å; V270-W302 HydrophobicContact CB-CB 3.95Å; V270-W302 HydrophobicContact CB-CD2 4.16Å; V270-W302 HydrophobicContact CB-CG 3.86Å; V270-W302 HydrophobicContact CG1-CD2 3.84Å; V270-W302 HydrophobicContact CG1-CE3 4.33Å; V270-W302 HydrophobicContact CG1-CG 3.9Å; V270-W302 HydrophobicContact CG2-CB 3.71Å; V270-W302 HydrophobicContact CG2-CG 3.8Å; F272-W302 HydrophobicContact CB-CE3 4.02Å; F272-W302 HydrophobicContact CB-CH2 4.09Å; F272-W302 HydrophobicContact CB-CZ3 3.4Å; F272-W302 HydrophobicContact CD1-CE3 4.46Å; F272-W302 HydrophobicContact CD1-CZ3 4.49Å; F272-W302 HydrophobicContact CD2-CZ3 4.47Å; F272-W302 HydrophobicContact CG-CE3 4.34Å; F272-W302 AromaticContact CG-CZ3 3.92Å; F272-W302 HydrophobicContact CG-CZ3 3.92Å; W302-T304 PolarHBondContact O-N 3.46Å; W302-L305 HydrophobicContact CE3-CB 3.95Å; W302-L305 HydrophobicContact CE3-CD1 4.02Å; W302-L305 HydrophobicContact CZ3-CB 4.18Å; W302-L305 PolarHBondContact O-N 3.25Å; W302-L305 VanDerWaalsContact O-N 3.1Å; W302-Q306 HydrophobicContact CD2-CG 3.88Å; W302-Q306 VanDerWaalsContact CE2-CD 3.49Å; W302-Q306 HydrophobicContact CE3-CG 4.46Å; W302-Q306 HydrophobicContact CG-CG 4.28Å; W302-Q306 HydrophobicContact CH2-CG 4.12Å; W302-Q306 HydrophobicContact CZ2-CG 3.51Å; W302-Q306 WeakPolarHBondContact O-CG 3.48Å; W302-Q306 PolarHBondContact O-N 3.45Å; W302-I339 HydrophobicContact CH2-CG2 4.42Å; W302-I339 HydrophobicContact CZ3-CG2 4.11Å
303T97.3Very high96.9Very high90 Ų9048.7 Ų48.755%0.55222%0.224SC*.Hα-helixtrans-62.8-26.3176.253.50000114.1N301N301-T303 VanDerWaalsContact C-N 3.26Å; N301-T303 PolarHBondContact O-N 3.41Å
304T97.5Very high97.1Very high34 Ų3448.6 Ų48.621%0.20922%0.223CC..Hα-helixtrans-79-44.4170.7-54.50000110.6F289 L292 L300 N301 W302 Q306 R307F289-T304 HydrophobicContact CD2-CG2 4.15Å; F289-T304 HydrophobicContact CE2-CG2 3.92Å; F289-T304 HydrophobicContact CZ-CG2 4.29Å; L292-T304 HydrophobicContact CD1-CG2 3.95Å; L300-T304 HydrophobicContact CD1-CG2 4.42Å; N301-T304 WeakPolarHBondContact O-CB 3.42Å; N301-T304 PolarHBondContact O-N 2.62Å; W302-T304 PolarHBondContact O-N 3.46Å; T304-Q306 PolarHBondContact O-N 3.05Å; T304-R307 PolarHBondContact O-N 3.29Å
305L98.1Very high97.2Very high0 Ų040.1 Ų40.10%019%0.193CC..Hα-helixtrans-60.2-42-180-67.6168.5000112.2F272 L279 L300 N301 W302 R307 L308 I339F272-L305 HydrophobicContact CD1-CD1 3.88Å; F272-L305 HydrophobicContact CE1-CD1 3.45Å; F272-L305 VanDerWaalsContact CE1-CD1 3.45Å; F272-L305 HydrophobicContact CE2-CD1 4.13Å; F272-L305 HydrophobicContact CE2-CD2 4.44Å; F272-L305 HydrophobicContact CG-CD1 4.39Å; F272-L305 HydrophobicContact CZ-CD1 3.58Å; F272-L305 HydrophobicContact CZ-CD2 4.26Å; L279-L305 HydrophobicContact CD1-CD2 3.53Å; L279-L305 HydrophobicContact CD2-CD2 4.04Å; L279-L305 HydrophobicContact CG-CD2 4.41Å; L300-L305 HydrophobicContact CB-CD2 4.2Å; L300-L305 HydrophobicContact CB-CG 4.18Å; L300-L305 HydrophobicContact CD1-CD2 4.25Å; N301-L305 WeakPolarHBondContact O-CG 3.41Å; N301-L305 PolarHBondContact O-N 3.07Å; N301-L305 VanDerWaalsContact O-N 3.1Å; W302-L305 HydrophobicContact CE3-CB 3.95Å; W302-L305 HydrophobicContact CE3-CD1 4.02Å; W302-L305 HydrophobicContact CZ3-CB 4.18Å; W302-L305 PolarHBondContact O-N 3.25Å; W302-L305 VanDerWaalsContact O-N 3.1Å; L305-R307 PolarHBondContact O-N 3.16Å; L305-L308 WeakPolarHBondContact O-CB 3.27Å; L305-L308 PolarHBondContact O-N 2.93Å; L305-L308 VanDerWaalsContact O-N 3.16Å; L305-I339 HydrophobicContact CB-CD1 4.1Å; L305-I339 HydrophobicContact CD2-CD1 3.92Å
306Q96.5Very high97.2Very high101 Ų10142.1 Ų42.147%0.47221%0.205SC..THydrogen-bonded Turntrans-64.5-20.3178.2-73.5-172.8-61.900114.6W302 T304 L308W302-Q306 HydrophobicContact CD2-CG 3.88Å; W302-Q306 VanDerWaalsContact CE2-CD 3.49Å; W302-Q306 HydrophobicContact CE3-CG 4.46Å; W302-Q306 HydrophobicContact CG-CG 4.28Å; W302-Q306 HydrophobicContact CH2-CG 4.12Å; W302-Q306 HydrophobicContact CZ2-CG 3.51Å; W302-Q306 WeakPolarHBondContact O-CG 3.48Å; W302-Q306 PolarHBondContact O-N 3.45Å; T304-Q306 PolarHBondContact O-N 3.05Å; Q306-L308 VanDerWaalsContact C-N 3.32Å
307R96.8Very high97Very high152 Ų15242.2 Ų42.257%0.57421%0.205SC*.THydrogen-bonded Turntrans-79.2-16.1176.9-74.1-177.355.6-174.5-10.9113.2E288 F289 T304 L305E288-R307 IonicContact OE2-NH2 2.95Å; F289-R307 HydrophobicContact CE2-CB 4.49Å; T304-R307 PolarHBondContact O-N 3.29Å; L305-R307 PolarHBondContact O-N 3.16Å
308L98.3Very high96.8Very high3 Ų343.6 Ų43.62%0.01621%0.212CC..SBendtrans-81.4135.6-177-65174.9000111.2L279 T283 V285 E288 F289 L305 Q306 I339L279-L308 HydrophobicContact CD1-CD1 3.7Å; T283-L308 HydrophobicContact CG2-CB 4.44Å; T283-L308 HydrophobicContact CG2-CD1 4.49Å; V285-L308 HydrophobicContact CB-CD1 4.1Å; V285-L308 HydrophobicContact CB-CD2 4.03Å; V285-L308 HydrophobicContact CG2-CD1 4.21Å; V285-L308 HydrophobicContact CG2-CD2 4.32Å; E288-L308 HydrophobicContact CB-CD2 4.08Å; E288-L308 HydrophobicContact CG-CD2 4.42Å; F289-L308 HydrophobicContact CD2-CD2 3.95Å; F289-L308 HydrophobicContact CE2-CD2 4.25Å; L305-L308 WeakPolarHBondContact O-CB 3.27Å; L305-L308 PolarHBondContact O-N 2.93Å; L305-L308 VanDerWaalsContact O-N 3.16Å; Q306-L308 VanDerWaalsContact C-N 3.32Å; L308-I339 HydrophobicContact CB-CD1 4.31Å; L308-I339 HydrophobicContact CD1-CD1 4.21Å
309N98.4Very high96.6Very high20 Ų2043.5 Ų43.511%0.10721%0.211CC..BIsolated β-bridgetrans-76.2124167-174.5-70.7000108.7T283 N284 G311 Q312 Q335T283-N309 CarbonylContact C-O 3.32Å; T283-N309 WeakPolarHBondContact CA-O 3.46Å; T283-N309 WeakPolarHBondContact CB-O 3.32Å; N284-N309 HydrophobicContact CB-CB 4.47Å; N284-N309 PolarHBondContact N-O 3.33Å; N284-N309 VanDerWaalsContact N-O 3.1Å; N284-N309 PolarHBondContact OD1-N 2.91Å; N309-G311 WeakPolarHBondContact OD1-CA 3.48Å; N309-G311 PolarHBondContact OD1-N 2.73Å; N309-Q312 WeakPolarHBondContact OD1-CG 3.47Å; N309-Q312 PolarHBondContact OD1-N 2.95Å; N309-Q335 PolarHBondContact ND2-O 2.97Å
310A98.2Very high96.3Very high6 Ų643.4 Ų43.45%0.0521%0.21CC..SBendtrans-105.617.8-179.900000113.1P241 T244 T282 T283 W313 Q337 I339P241-A310 WeakPolarHBondContact CB-O 3.27Å; T244-A310 HydrophobicContact CG2-CB 4.23Å; T282-A310 CarbonylContact O-C 3.57Å; T282-A310 VanDerWaalsContact O-CA 3.28Å; T282-A310 WeakPolarHBondContact O-CA 3.44Å; T283-A310 HydrophobicContact CG2-CB 4.42Å; A310-W313 VanDerWaalsContact O-CD1 3.31Å; A310-W313 PolarHBondContact O-NE1 2.95Å; A310-Q337 PolarHBondContact N-O 3.22Å; A310-I339 HydrophobicContact CB-CG1 4.07Å
311G97.6Very high96.1Very high0 Ų048.4 Ų48.40%023%0.229CC..SBendtrans-127.1-39.8-166.500000116.2N309 W313 F314 A334N309-G311 WeakPolarHBondContact OD1-CA 3.48Å; N309-G311 PolarHBondContact OD1-N 2.73Å; G311-W313 PolarHBondContact O-N 3.44Å; G311-F314 WeakPolarHBondContact O-CB 3.24Å; G311-F314 PolarHBondContact O-N 3.45Å; G311-F314 VanDerWaalsContact O-N 3.12Å; G311-A334 CarbonylContact C-O 3.52Å; G311-A334 VanDerWaalsContact C-O 3.24Å; G311-A334 WeakPolarHBondContact CA-O 3.49Å
312Q96.7Very high95.9Very high90 Ų9046.1 Ų46.142%0.42122%0.217SC..Hα-helixtrans-59.3-34.2-177.8-71.5172.9-0.800113.3N309 F314 L315 K316 Q335N309-Q312 WeakPolarHBondContact OD1-CG 3.47Å; N309-Q312 PolarHBondContact OD1-N 2.95Å; Q312-F314 PolarHBondContact O-N 2.99Å; Q312-L315 PolarHBondContact O-N 2.91Å; Q312-K316 WeakPolarHBondContact O-CB 3.14Å; Q312-K316 PolarHBondContact O-N 2.96Å; Q312-K316 VanDerWaalsContact O-N 3.07Å; Q312-Q335 HydrophobicContact CG-CB 4.36Å; Q312-Q335 WeakPolarHBondContact CG-O 3.42Å
313W95.9Very high95.7Very high17 Ų1745.3 Ų45.36%0.06422%0.216CC..Hα-helixtrans-56.4-39.1177.876.5-85.1000111.8P241 E242 T282 A310 G311 L315 K316 T317 P319P241-W313 HydrophobicContact CB-CZ2 4.34Å; E242-W313 HydrophobicContact CG-CH2 4.36Å; E242-W313 HydrophobicContact CG-CZ2 3.99Å; T282-W313 HydrophobicContact CG2-CD2 4.37Å; T282-W313 HydrophobicContact CG2-CH2 4.14Å; T282-W313 HydrophobicContact CG2-CZ2 3.83Å; T282-W313 PolarHBondContact O-NE1 3.44Å; A310-W313 VanDerWaalsContact O-CD1 3.31Å; A310-W313 PolarHBondContact O-NE1 2.95Å; G311-W313 PolarHBondContact O-N 3.44Å; W313-L315 VanDerWaalsContact C-N 3.28Å; W313-L315 PolarHBondContact O-N 3.37Å; W313-K316 PolarHBondContact O-N 3.49Å; W313-T317 VanDerWaalsContact O-CB 3.22Å; W313-T317 WeakPolarHBondContact O-CB 3.28Å; W313-T317 PolarHBondContact O-N 2.9Å; W313-T317 PolarHBondContact O-OG1 2.8Å; W313-P319 HydrophobicContact CH2-CG 4.27Å; W313-P319 HydrophobicContact CZ3-CG 3.88Å
314F96.8Very high95.5Very high0 Ų046.3 Ų46.30%023%0.227CC..Hα-helixtrans-61.8-38.2-177.6170.6-97.2000111.4P237 P241 G311 Q312 D318 L326 A334P237-F314 WeakPolarHBondContact O-CE2 3.03Å; P241-F314 HydrophobicContact CB-CB 3.83Å; P241-F314 HydrophobicContact CB-CG 4.28Å; P241-F314 HydrophobicContact CG-CB 3.76Å; P241-F314 HydrophobicContact CG-CD1 4.23Å; P241-F314 HydrophobicContact CG-CG 4.04Å; G311-F314 WeakPolarHBondContact O-CB 3.24Å; G311-F314 PolarHBondContact O-N 3.45Å; G311-F314 VanDerWaalsContact O-N 3.12Å; Q312-F314 PolarHBondContact O-N 2.99Å; F314-D318 WeakPolarHBondContact O-CA 3.47Å; F314-D318 PolarHBondContact O-N 3.19Å; F314-L326 HydrophobicContact CE1-CD1 3.89Å; F314-A334 HydrophobicContact CD1-CB 4.4Å
315L96.5Very high95.4Very high35 Ų3548.7 Ų48.718%0.18325%0.245CC..Hα-helixtrans-82.5-26.7178.7-56.4174.4000113.2Q312 W313 A323 L326 A334 Q335Q312-L315 PolarHBondContact O-N 2.91Å; W313-L315 VanDerWaalsContact C-N 3.28Å; W313-L315 PolarHBondContact O-N 3.37Å; L315-A323 HydrophobicContact CD2-CB 3.9Å; L315-L326 HydrophobicContact CD2-CD1 4Å; L315-A334 HydrophobicContact CD1-CB 4.34Å; L315-A334 HydrophobicContact CD2-CB 4.23Å; L315-A334 HydrophobicContact CG-CB 4.43Å; L315-Q335 HydrophobicContact CD1-CB 3.72Å
316K94.1Very high95.3Very high157 Ų15750 Ų5068%0.68325%0.252SS*.Hα-helixtrans-82.5-36.2-179.9-177.6179.6-179.71800112.4E287 Q312 W313E287-K316 IonicContact OE1-NZ 3.69Å; E287-K316 PolarHBondContact OE1-NZ 3.31Å; E287-K316 VanDerWaalsContact OE1-NZ 3.11Å; Q312-K316 WeakPolarHBondContact O-CB 3.14Å; Q312-K316 PolarHBondContact O-N 2.96Å; Q312-K316 VanDerWaalsContact O-N 3.07Å; W313-K316 PolarHBondContact O-N 3.49Å
317T92.5Very high95.3Very high47 Ų4747 Ų4729%0.28824%0.242SC..Hα-helixtrans-97.2-32.3-177.9-60.50000112.1W83 W313W83-T317 HydrophobicContact CB-CG2 4.04Å; W83-T317 HydrophobicContact CD2-CG2 4.14Å; W83-T317 HydrophobicContact CG-CG2 3.55Å; W313-T317 VanDerWaalsContact O-CB 3.22Å; W313-T317 WeakPolarHBondContact O-CB 3.28Å; W313-T317 PolarHBondContact O-N 2.9Å; W313-T317 PolarHBondContact O-OG1 2.8Å
318D93.5Very high95.3Very high31 Ų3144.3 Ų44.317%0.16624%0.244CC..  trans42.257.5-179-162.210.5000114.2F314 F320 W321 T322 A323F314-D318 WeakPolarHBondContact O-CA 3.47Å; F314-D318 PolarHBondContact O-N 3.19Å; D318-F320 PolarHBondContact O-N 3.33Å; D318-W321 VanDerWaalsContact CG-CA 3.47Å; D318-W321 PolarHBondContact O-N 3.45Å; D318-W321 WeakPolarHBondContact OD1-CA 3.24Å; D318-W321 PolarHBondContact OD1-N 2.77Å; D318-W321 WeakPolarHBondContact OD2-CA 3.23Å; D318-T322 PolarHBondContact OD1-N 2.96Å; D318-T322 PolarHBondContact OD2-N 3.25Å; D318-A323 HydrophobicContact CB-CB 4.04Å; D318-A323 WeakPolarHBondContact OD1-CB 3.4Å; D318-A323 PolarHBondContact OD1-N 3.31Å; D318-A323 WeakPolarHBondContact OD2-CB 3.38Å; D318-A323 PolarHBondContact OD2-N 3.22Å
319P91.6Very high95.2Very high6 Ų647.4 Ų47.44%0.03927%0.266CS..THydrogen-bonded Turntrans-62.1-14.6-168.928.7-38.9000114.7W83 W313W83-P319 HydrophobicContact CH2-CB 4.36Å; W83-P319 HydrophobicContact CZ2-CB 3.54Å; W313-P319 HydrophobicContact CH2-CG 4.27Å; W313-P319 HydrophobicContact CZ3-CG 3.88Å
320F92.7Very high95.1Very high23 Ų2348 Ų4810%0.10127%0.269CS..THydrogen-bonded Turntrans-116.23.8178.9-56.3-69.9000113.2D70 P237 M238 D318 T322 D476D70-F320 HydrophobicContact CB-CE1 3.76Å; D70-F320 HydrophobicContact CB-CZ 4.41Å; P237-F320 HydrophobicContact CB-CE2 3.9Å; P237-F320 HydrophobicContact CB-CZ 4.34Å; P237-F320 WeakPolarHBondContact O-CD2 3.43Å; P237-F320 WeakPolarHBondContact O-CE2 3.43Å; M238-F320 HydrophobicContact CE-CD1 3.6Å; M238-F320 HydrophobicContact CE-CE1 4.11Å; M238-F320 HydrophobicContact CE-CG 4.27Å; M238-F320 HydrophobicContact CG-CB 3.91Å; M238-F320 HydrophobicContact CG-CD1 3.87Å; M238-F320 HydrophobicContact CG-CD2 4.04Å; M238-F320 HydrophobicContact CG-CE1 4.39Å; M238-F320 HydrophobicContact CG-CG 3.66Å; D318-F320 PolarHBondContact O-N 3.33Å; F320-T322 VanDerWaalsContact C-N 3.26Å; F320-T322 HydrophobicContact CB-CG2 4.04Å; F320-T322 PolarHBondContact O-N 2.9Å; F320-D476 HydrophobicContact CE1-CB 4.36Å; F320-D476 HydrophobicContact CZ-CB 4.42Å
321W93.3Very high95.1Very high111 Ų11151.4 Ų51.442%0.4228%0.284SS..SBendtrans55.535.2-174.1-46.1-56.1000114.4Y69 D85 V88 D318Y69-W321 HydrophobicContact CD2-CH2 4.17Å; D85-W321 HydrophobicContact CB-CZ2 3.88Å; D85-W321 PolarHBondContact OD2-NE1 3.25Å; V88-W321 HydrophobicContact CG2-CH2 3.8Å; V88-W321 HydrophobicContact CG2-CZ2 3.65Å; D318-W321 VanDerWaalsContact CG-CA 3.47Å; D318-W321 PolarHBondContact O-N 3.45Å; D318-W321 WeakPolarHBondContact OD1-CA 3.24Å; D318-W321 PolarHBondContact OD1-N 2.77Å; D318-W321 WeakPolarHBondContact OD2-CA 3.23Å
322T94.3Very high95.1Very high18 Ų1858.5 Ų58.511%0.1131%0.311CS..  trans-110.1-13.9-174.252.20000113.7M238 D318 F320 S324 S325M238-T322 HydrophobicContact CB-CG2 4.27Å; M238-T322 WeakPolarHBondContact O-CB 3.32Å; M238-T322 WeakPolarHBondContact O-CG2 3.49Å; M238-T322 PolarHBondContact O-OG1 3.16Å; M238-T322 VanDerWaalsContact O-OG1 3.04Å; D318-T322 PolarHBondContact OD1-N 2.96Å; D318-T322 PolarHBondContact OD2-N 3.25Å; F320-T322 VanDerWaalsContact C-N 3.26Å; F320-T322 HydrophobicContact CB-CG2 4.04Å; F320-T322 PolarHBondContact O-N 2.9Å; T322-S324 PolarHBondContact O-N 2.96Å; T322-S324 VanDerWaalsContact O-N 3.12Å; T322-S325 WeakPolarHBondContact O-CB 3.36Å; T322-S325 PolarHBondContact O-N 3.07Å; T322-S325 PolarHBondContact O-OG 2.91Å
323A93.6Very high95.2Very high10 Ų1057 Ų578%0.08330%0.304CS..G310 helixtrans-59.2-29.9-176.800000112.9L315 D318 S325L315-A323 HydrophobicContact CD2-CB 3.9Å; D318-A323 HydrophobicContact CB-CB 4.04Å; D318-A323 WeakPolarHBondContact OD1-CB 3.4Å; D318-A323 PolarHBondContact OD1-N 3.31Å; D318-A323 WeakPolarHBondContact OD2-CB 3.38Å; D318-A323 PolarHBondContact OD2-N 3.22Å; A323-S325 VanDerWaalsContact C-N 3.3Å; A323-S325 PolarHBondContact O-N 3.22Å
324S93.8Very high95.2Very high112 Ų11256.1 Ų56.178%0.78330%0.301SS*.G310 helixtrans-70.1-19.5174.666.80000114.8T322T322-S324 PolarHBondContact O-N 2.96Å; T322-S324 VanDerWaalsContact O-N 3.12Å
325S93.9Very high95.3Very high84 Ų8460 Ų6059%0.58732%0.318SS*.G310 helixtrans-89.1-9.9179.574.80000114T322 A323T322-S325 WeakPolarHBondContact O-CB 3.36Å; T322-S325 PolarHBondContact O-N 3.07Å; T322-S325 PolarHBondContact O-OG 2.91Å; A323-S325 VanDerWaalsContact C-N 3.3Å; A323-S325 PolarHBondContact O-N 3.22Å
326L95.6Very high95.3Very high26 Ų2664.1 Ų64.114%0.13634%0.341CS..SBendtrans-68.9143.8-178.4-66.5-167.9000112.7L239 F314 L315 D330 H331 A334L239-L326 WeakPolarHBondContact O-CD2 3.32Å; F314-L326 HydrophobicContact CE1-CD1 3.89Å; L315-L326 HydrophobicContact CD2-CD1 4Å; L326-D330 HydrophobicContact CB-CB 4.23Å; L326-D330 HydrophobicContact CD1-CB 4.49Å; L326-D330 HydrophobicContact CD2-CB 4.36Å; L326-H331 HydrophobicContact CB-CB 4.33Å; L326-A334 HydrophobicContact CD1-CB 4.16Å
327S96.8Very high95.5Very high39 Ų3957.5 Ų57.527%0.27331%0.312SS..  trans-64.3154.7169.378.70000111S329 D330 H331S327-S329 PolarHBondContact O-N 3.46Å; S327-S329 VanDerWaalsContact O-N 3.09Å; S327-S329 PolarHBondContact OG-OG 3.27Å; S327-D330 WeakPolarHBondContact CB-OD2 3.48Å; S327-D330 PolarHBondContact O-N 2.92Å; S327-D330 WeakPolarHBondContact OG-CB 3.26Å; S327-D330 PolarHBondContact OG-N 3.25Å; S327-D330 PolarHBondContact OG-OD2 3.21Å; S327-H331 WeakPolarHBondContact O-CB 3.36Å; S327-H331 PolarHBondContact O-N 3.22Å
328P96.9Very high95.7Very high96 Ų9657.7 Ų57.762%0.62332%0.316SS*.Hα-helixtrans-58.3-25.6176.9-26.635.4000114.1R332P328-R332 WeakPolarHBondContact O-CG 3.42Å; P328-R332 PolarHBondContact O-N 2.93Å; P328-R332 PolarHBondContact O-NH1 3.49Å
329S96.9Very high95.9Very high68 Ų6856.5 Ų56.548%0.47631%0.309SS..Hα-helixtrans-72.6-50.7170.725.20000112.2S327 H331 R332 E333S327-S329 PolarHBondContact O-N 3.46Å; S327-S329 VanDerWaalsContact O-N 3.09Å; S327-S329 PolarHBondContact OG-OG 3.27Å; S329-H331 VanDerWaalsContact C-N 3.3Å; S329-H331 PolarHBondContact O-N 3.16Å; S329-R332 PolarHBondContact O-N 3.39Å; S329-R332 VanDerWaalsContact O-N 3.13Å; S329-E333 PolarHBondContact O-N 3.45Å
330D97.1Very high96.3Very high32 Ų3256.3 Ų56.317%0.17131%0.308CS..Hα-helixtrans-63-39.1-179.7-64-50.6000110.9M246 K250 L326 S327 R332 E333 A334M246-D330 HydrophobicContact CE-CB 3.74Å; M246-D330 WeakPolarHBondContact CE-O 3.4Å; K250-D330 WeakPolarHBondContact CE-OD1 3.41Å; K250-D330 IonicContact NZ-OD1 3.33Å; K250-D330 PolarHBondContact NZ-OD1 2.97Å; K250-D330 IonicContact NZ-OD2 3.41Å; L326-D330 HydrophobicContact CB-CB 4.23Å; L326-D330 HydrophobicContact CD1-CB 4.49Å; L326-D330 HydrophobicContact CD2-CB 4.36Å; S327-D330 WeakPolarHBondContact CB-OD2 3.48Å; S327-D330 PolarHBondContact O-N 2.92Å; S327-D330 WeakPolarHBondContact OG-CB 3.26Å; S327-D330 PolarHBondContact OG-N 3.25Å; S327-D330 PolarHBondContact OG-OD2 3.21Å; D330-R332 VanDerWaalsContact C-N 3.33Å; D330-R332 PolarHBondContact O-N 3.23Å; D330-E333 PolarHBondContact O-N 3.14Å; D330-A334 VanDerWaalsContact O-CB 3.23Å; D330-A334 WeakPolarHBondContact O-CB 3.02Å; D330-A334 PolarHBondContact O-N 2.79Å
331H97.4Very high96.5Very high77 Ų7755.7 Ų55.736%0.35631%0.307SS..Hα-helixtrans-60.6-40.7174.8-166.699000111.9L326 S327 S329 Q335L326-H331 HydrophobicContact CB-CB 4.33Å; S327-H331 WeakPolarHBondContact O-CB 3.36Å; S327-H331 PolarHBondContact O-N 3.22Å; S329-H331 VanDerWaalsContact C-N 3.3Å; S329-H331 PolarHBondContact O-N 3.16Å; H331-Q335 WeakPolarHBondContact O-CG 3.39Å; H331-Q335 PolarHBondContact O-N 2.84Å
332R97.2Very high96.8Very high149 Ų14950.5 Ų50.556%0.56229%0.287SS*.Hα-helixtrans-71.9-27.9175.9-77.2-169.3-56.5-87.1-0.6113.9P328 S329 D330 Q335P328-R332 WeakPolarHBondContact O-CG 3.42Å; P328-R332 PolarHBondContact O-N 2.93Å; P328-R332 PolarHBondContact O-NH1 3.49Å; S329-R332 PolarHBondContact O-N 3.39Å; S329-R332 VanDerWaalsContact O-N 3.13Å; D330-R332 VanDerWaalsContact C-N 3.33Å; D330-R332 PolarHBondContact O-N 3.23Å; R332-Q335 WeakPolarHBondContact O-CG 3.41Å
333E98Very high97Very high58 Ų5852.8 Ų52.827%0.27131%0.308SS..Hα-helixtrans-77.9-42.9172.9-176.4170.1-17500111.3M246 R249 S329 D330 Q335 N336 Q337M246-E333 HydrophobicContact CB-CG 4.21Å; M246-E333 HydrophobicContact CE-CB 4.38Å; M246-E333 HydrophobicContact CG-CG 4Å; M246-E333 HydrophobicContact SD-CB 4.07Å; M246-E333 HydrophobicContact SD-CG 3.84Å; R249-E333 IonicContact CZ-OE1 3.36Å; R249-E333 VanDerWaalsContact NH1-CD 3.34Å; R249-E333 IonicContact NH1-OE1 3.42Å; R249-E333 PolarHBondContact NH1-OE1 3.42Å; R249-E333 IonicContact NH1-OE2 3.34Å; R249-E333 PolarHBondContact NH1-OE2 3.49Å; R249-E333 IonicContact NH2-OE1 3.15Å; R249-E333 PolarHBondContact NH2-OE1 2.66Å; R249-E333 VanDerWaalsContact NH2-OE1 3.15Å; S329-E333 PolarHBondContact O-N 3.45Å; D330-E333 PolarHBondContact O-N 3.14Å; E333-Q335 PolarHBondContact O-N 2.89Å; E333-N336 CarbonylContact O-C 3.24Å; E333-N336 PolarHBondContact O-N 3.46Å; E333-Q337 VanDerWaalsContact CG-NE2 3.34Å; E333-Q337 PolarHBondContact O-NE2 3.45Å
334A97.8Very high97.2Very high0 Ų055.3 Ų55.30%032%0.318CS..Hα-helixtrans-59.6-42.8-179.900000112.2P241 M246 G311 F314 L315 L326 D330 N336P241-A334 HydrophobicContact CG-CB 4.21Å; P241-A334 WeakPolarHBondContact CG-O 3.39Å; M246-A334 HydrophobicContact CE-CB 4.17Å; M246-A334 VanDerWaalsContact SD-CA 3.56Å; M246-A334 HydrophobicContact SD-CB 3.83Å; M246-A334 PolarHBondContact SD-N 3.04Å; G311-A334 CarbonylContact C-O 3.52Å; G311-A334 VanDerWaalsContact C-O 3.24Å; G311-A334 WeakPolarHBondContact CA-O 3.49Å; F314-A334 HydrophobicContact CD1-CB 4.4Å; L315-A334 HydrophobicContact CD1-CB 4.34Å; L315-A334 HydrophobicContact CD2-CB 4.23Å; L315-A334 HydrophobicContact CG-CB 4.43Å; L326-A334 HydrophobicContact CD1-CB 4.16Å; D330-A334 VanDerWaalsContact O-CB 3.23Å; D330-A334 WeakPolarHBondContact O-CB 3.02Å; D330-A334 PolarHBondContact O-N 2.79Å; A334-N336 PolarHBondContact O-N 3.1Å
335Q97.1Very high97.4Very high80 Ų8050 Ų5037%0.37428%0.28SS..THydrogen-bonded Turntrans-65.2-15.6174.766.2176.82.200114.1N309 Q312 L315 H331 R332 E333N309-Q335 PolarHBondContact ND2-O 2.97Å; Q312-Q335 HydrophobicContact CG-CB 4.36Å; Q312-Q335 WeakPolarHBondContact CG-O 3.42Å; L315-Q335 HydrophobicContact CD1-CB 3.72Å; H331-Q335 WeakPolarHBondContact O-CG 3.39Å; H331-Q335 PolarHBondContact O-N 2.84Å; R332-Q335 WeakPolarHBondContact O-CG 3.41Å; E333-Q335 PolarHBondContact O-N 2.89Å
336N96.9Very high97.6Very high123 Ų12346 Ų4666%0.65825%0.253SS*.THydrogen-bonded Turntrans-124.950.7-171.1-163.830.2000111.9E333 A334E333-N336 CarbonylContact O-C 3.24Å; E333-N336 PolarHBondContact O-N 3.46Å; A334-N336 PolarHBondContact O-N 3.1Å
337Q98.2Very high97.7Very high18 Ų1850.6 Ų50.68%0.08427%0.274CS..  trans-101.2149.2172-62.8-59.2-71.100111.4P241 T244 M246 A310 E333P241-Q337 HydrophobicContact CG-CG 4.13Å; T244-Q337 HydrophobicContact CG2-CB 3.59Å; T244-Q337 HydrophobicContact CG2-CG 3.97Å; M246-Q337 VanDerWaalsContact CB-CD 3.46Å; M246-Q337 HydrophobicContact CB-CG 4.26Å; M246-Q337 VanDerWaalsContact CB-OE1 3.25Å; A310-Q337 PolarHBondContact N-O 3.22Å; E333-Q337 VanDerWaalsContact CG-NE2 3.34Å; E333-Q337 PolarHBondContact O-NE2 3.45Å
338S97.5Very high97.8Very high51 Ų5150.8 Ų50.836%0.35727%0.271SS..BIsolated β-bridgetrans-105.1166.916856.40000111C340S338-C340 PolarHBondContact O-N 3.45Å
339I98.3Very high97.8Very high5 Ų546.2 Ų46.23%0.02624%0.242CC..PPolyproline II helixtrans-60.6127.6167.6-59.3-180000108.5F272 M274 L279 T283 W302 L305 L308 A310F272-I339 HydrophobicContact CD2-CG2 3.62Å; F272-I339 HydrophobicContact CE2-CG2 4.27Å; F272-I339 HydrophobicContact CG-CG2 4.43Å; M274-I339 HydrophobicContact CE-CD1 4.26Å; M274-I339 HydrophobicContact CE-CG1 4.41Å; M274-I339 HydrophobicContact CE-CG2 4.47Å; L279-I339 HydrophobicContact CD2-CD1 3.86Å; T283-I339 HydrophobicContact CG2-CD1 4.07Å; T283-I339 HydrophobicContact CG2-CG1 4.21Å; W302-I339 HydrophobicContact CH2-CG2 4.42Å; W302-I339 HydrophobicContact CZ3-CG2 4.11Å; L305-I339 HydrophobicContact CB-CD1 4.1Å; L305-I339 HydrophobicContact CD2-CD1 3.92Å; L308-I339 HydrophobicContact CB-CD1 4.31Å; L308-I339 HydrophobicContact CD1-CD1 4.21Å; A310-I339 HydrophobicContact CB-CG1 4.07Å
340C98.3Very high97.7Very high2 Ų246.9 Ų46.91%0.01424%0.236CC..PPolyproline II helixtrans-83.1132.9-178.8-170.20000111.1H243 L273 S338H243-C340 WeakPolarHBondContact O-CB 3.31Å; L273-C340 HydrophobicContact CB-CB 4.41Å; L273-C340 WeakPolarHBondContact CB-O 3.4Å; L273-C340 HydrophobicContact CD1-CB 4.05Å; L273-C340 HydrophobicContact CG-CB 4.41Å; L273-C340 PolarHBondContact N-O 3.29Å; S338-C340 PolarHBondContact O-N 3.45Å
341S98.4Very high97.2Very high11 Ų1147.6 Ų47.68%0.07725%0.251CS..BIsolated β-bridgetrans-77.9159.7167.468.30000111.4A343 E344 L345S341-A343 PolarHBondContact O-N 2.97Å; S341-E344 VanDerWaalsContact CB-OE2 3.23Å; S341-E344 WeakPolarHBondContact CB-OE2 3.12Å; S341-E344 PolarHBondContact N-OE2 2.87Å; S341-E344 PolarHBondContact O-N 3.02Å; S341-E344 VanDerWaalsContact OG-CD 3.29Å; S341-E344 VanDerWaalsContact OG-CG 3.28Å; S341-E344 WeakPolarHBondContact OG-CG 3.36Å; S341-E344 PolarHBondContact OG-N 3.21Å; S341-E344 PolarHBondContact OG-OE2 3.05Å; S341-L345 PolarHBondContact O-N 3.35Å
342L98.5Very high97Very high1 Ų149.3 Ų49.31%0.00526%0.263CS..Hα-helixtrans-61.8-34.7172178.358.3000112.1I263 P271 L345 L346 T376 A379 V380I263-L342 HydrophobicContact CD1-CD1 3.63Å; I263-L342 HydrophobicContact CD1-CD2 4.01Å; I263-L342 HydrophobicContact CD1-CG 4.42Å; I263-L342 HydrophobicContact CG1-CD1 4.1Å; I263-L342 HydrophobicContact CG2-CD2 4.45Å; P271-L342 HydrophobicContact CB-CB 3.91Å; P271-L342 HydrophobicContact CB-CD2 3.82Å; P271-L342 HydrophobicContact CG-CD2 4.49Å; P271-L342 WeakPolarHBondContact O-CB 3.34Å; P271-L342 PolarHBondContact O-N 2.92Å; L342-L345 PolarHBondContact O-N 3.45Å; L342-L346 HydrophobicContact CD1-CD1 4.03Å; L342-L346 HydrophobicContact CD1-CG 4.02Å; L342-L346 HydrophobicContact CD2-CD1 4.38Å; L342-L346 HydrophobicContact CG-CD1 3.71Å; L342-L346 HydrophobicContact CG-CG 4.22Å; L342-L346 WeakPolarHBondContact O-CB 3.38Å; L342-L346 WeakPolarHBondContact O-CD1 3.46Å; L342-L346 WeakPolarHBondContact O-CG 3.24Å; L342-L346 PolarHBondContact O-N 3.38Å; L342-T376 HydrophobicContact CD2-CG2 3.73Å; L342-A379 HydrophobicContact CD2-CB 4.2Å; L342-V380 HydrophobicContact CD2-CG2 4.23Å
343A98.3Very high96.9Very high66 Ų6642.5 Ų42.555%0.54524%0.238SC..Hα-helixtrans-64.2-41.9179.900000112S341 L346 E347S341-A343 PolarHBondContact O-N 2.97Å; A343-L346 PolarHBondContact O-N 3.48Å; A343-E347 PolarHBondContact O-N 2.91Å
344E98.4Very high96.9Very high63 Ų6340.3 Ų40.329%0.29423%0.229SC..Hα-helixtrans-64.4-43176.9-74.6162.612900112.2L245 S341 L348L245-E344 HydrophobicContact CD1-CB 4.36Å; L245-E344 HydrophobicContact CD2-CB 4.13Å; L245-E344 HydrophobicContact CG-CB 4.46Å; S341-E344 VanDerWaalsContact CB-OE2 3.23Å; S341-E344 WeakPolarHBondContact CB-OE2 3.12Å; S341-E344 PolarHBondContact N-OE2 2.87Å; S341-E344 PolarHBondContact O-N 3.02Å; S341-E344 VanDerWaalsContact OG-CD 3.29Å; S341-E344 VanDerWaalsContact OG-CG 3.28Å; S341-E344 WeakPolarHBondContact OG-CG 3.36Å; S341-E344 PolarHBondContact OG-N 3.21Å; S341-E344 PolarHBondContact OG-OE2 3.05Å; E344-L348 WeakPolarHBondContact O-CB 3.29Å; E344-L348 PolarHBondContact O-N 2.95Å
345L98.4Very high96.9Very high0 Ų040.3 Ų40.30%023%0.229CC..Hα-helixtrans-62.5-45.6173169.163.7000112F248 L259 A261 L273 S341 L342 E347 L348 A349 L355F248-L345 HydrophobicContact CB-CD1 4.18Å; F248-L345 HydrophobicContact CD1-CD1 3.72Å; F248-L345 HydrophobicContact CD2-CD1 3.85Å; F248-L345 HydrophobicContact CE1-CD1 4.02Å; F248-L345 HydrophobicContact CE1-CD2 4.46Å; F248-L345 HydrophobicContact CE2-CD1 4.16Å; F248-L345 HydrophobicContact CG-CD1 3.63Å; F248-L345 HydrophobicContact CZ-CD1 4.24Å; F248-L345 HydrophobicContact CZ-CD2 4.26Å; L259-L345 HydrophobicContact CD1-CD1 4.1Å; A261-L345 HydrophobicContact CB-CD2 3.45Å; A261-L345 VanDerWaalsContact CB-CD2 3.45Å; L273-L345 HydrophobicContact CD1-CB 3.82Å; L273-L345 HydrophobicContact CD1-CD2 3.63Å; L273-L345 HydrophobicContact CD1-CG 4.28Å; L273-L345 HydrophobicContact CD2-CD2 4.34Å; S341-L345 PolarHBondContact O-N 3.35Å; L342-L345 PolarHBondContact O-N 3.45Å; L345-E347 VanDerWaalsContact C-N 3.32Å; L345-E347 PolarHBondContact O-N 2.93Å; L345-L348 PolarHBondContact O-N 3.41Å; L345-A349 HydrophobicContact CD1-CB 4.3Å; L345-A349 VanDerWaalsContact O-CB 3.31Å; L345-A349 WeakPolarHBondContact O-CB 3.31Å; L345-A349 PolarHBondContact O-N 2.95Å; L345-L355 HydrophobicContact CD1-CD2 4.22Å; L345-L355 HydrophobicContact CD2-CD2 4.43Å; L345-L355 HydrophobicContact CG-CD2 4.41Å
346L98.3Very high97Very high1 Ų136.6 Ų36.61%0.00521%0.212CC..Hα-helixtrans-60.6-42.8-178.3-75.6165.4000111.4L342 A343 K350 L355 V380 F385L342-L346 HydrophobicContact CD1-CD1 4.03Å; L342-L346 HydrophobicContact CD1-CG 4.02Å; L342-L346 HydrophobicContact CD2-CD1 4.38Å; L342-L346 HydrophobicContact CG-CD1 3.71Å; L342-L346 HydrophobicContact CG-CG 4.22Å; L342-L346 WeakPolarHBondContact O-CB 3.38Å; L342-L346 WeakPolarHBondContact O-CD1 3.46Å; L342-L346 WeakPolarHBondContact O-CG 3.24Å; L342-L346 PolarHBondContact O-N 3.38Å; A343-L346 PolarHBondContact O-N 3.48Å; L346-K350 WeakPolarHBondContact O-CB 3.34Å; L346-K350 PolarHBondContact O-N 2.75Å; L346-L355 HydrophobicContact CD2-CD1 3.72Å; L346-V380 HydrophobicContact CD1-CB 4.46Å; L346-V380 HydrophobicContact CD1-CG2 4.12Å; L346-V380 HydrophobicContact CD2-CG1 4.18Å; L346-V380 HydrophobicContact CD2-CG2 4.22Å; L346-F385 HydrophobicContact CB-CD2 4.47Å; L346-F385 HydrophobicContact CD2-CB 3.87Å; L346-F385 HydrophobicContact CD2-CD2 3.78Å; L346-F385 HydrophobicContact CD2-CE2 4.5Å; L346-F385 HydrophobicContact CD2-CG 3.8Å; L346-F385 WeakPolarHBondContact O-CD2 3.37Å
347E97.6Very high97Very high123 Ų12330.8 Ų30.858%0.57518%0.18SC*.Hα-helixtrans-70-41.6178-17063-173.500111.9A343 L345 A349 K350A343-E347 PolarHBondContact O-N 2.91Å; L345-E347 VanDerWaalsContact C-N 3.32Å; L345-E347 PolarHBondContact O-N 2.93Å; E347-A349 PolarHBondContact O-N 2.79Å; E347-K350 WeakPolarHBondContact O-CB 3.38Å; E347-K350 PolarHBondContact O-N 2.7Å; E347-K350 WeakPolarHBondContact OE2-CD 3.43Å; E347-K350 IonicContact OE2-NZ 3.26Å; E347-K350 PolarHBondContact OE2-NZ 2.7Å
348L97.6Very high96.9Very high43 Ų4332.4 Ų32.423%0.22519%0.19CC..Hα-helixtrans-62.3-42.7177177.665.4000112.9L245 F248 R249 L252 E344 L345 N352L245-L348 HydrophobicContact CD2-CB 4.25Å; L245-L348 HydrophobicContact CD2-CD2 3.7Å; F248-L348 HydrophobicContact CB-CD2 3.68Å; R249-L348 HydrophobicContact CB-CD2 4.47Å; L252-L348 HydrophobicContact CD1-CD1 4.2Å; L252-L348 HydrophobicContact CD1-CD2 4.48Å; L252-L348 HydrophobicContact CD1-CG 3.85Å; L252-L348 WeakPolarHBondContact CD1-O 3.32Å; E344-L348 WeakPolarHBondContact O-CB 3.29Å; E344-L348 PolarHBondContact O-N 2.95Å; L345-L348 PolarHBondContact O-N 3.41Å; L348-N352 PolarHBondContact O-ND2 2.92Å
349A96.9Very high96.8Very high0 Ų030.6 Ų30.60%018%0.176CC..Hα-helixtrans-84.8-9.5-174.800000114.1L259 L345 E347 G351 N352 A353 L355 F385L259-A349 HydrophobicContact CD1-CB 3.91Å; L345-A349 HydrophobicContact CD1-CB 4.3Å; L345-A349 VanDerWaalsContact O-CB 3.31Å; L345-A349 WeakPolarHBondContact O-CB 3.31Å; L345-A349 PolarHBondContact O-N 2.95Å; E347-A349 PolarHBondContact O-N 2.79Å; A349-G351 PolarHBondContact O-N 3.41Å; A349-G351 VanDerWaalsContact O-N 3.16Å; A349-N352 PolarHBondContact O-N 3.34Å; A349-A353 PolarHBondContact O-N 3.47Å; A349-L355 HydrophobicContact CB-CD1 4.45Å; A349-L355 HydrophobicContact CB-CD2 3.84Å; A349-L355 HydrophobicContact CB-CG 4.39Å; A349-F385 HydrophobicContact CB-CE2 3.95Å; A349-F385 HydrophobicContact CB-CZ 4.43Å
350K94.6Very high96.5Very high81 Ų8133.1 Ų33.135%0.35219%0.185SC..THydrogen-bonded Turntrans-57.1114.7-168.9-163.3162.1170.4176.30112.7L346 E347 N352 S383 F385L346-K350 WeakPolarHBondContact O-CB 3.34Å; L346-K350 PolarHBondContact O-N 2.75Å; E347-K350 WeakPolarHBondContact O-CB 3.38Å; E347-K350 PolarHBondContact O-N 2.7Å; E347-K350 WeakPolarHBondContact OE2-CD 3.43Å; E347-K350 IonicContact OE2-NZ 3.26Å; E347-K350 PolarHBondContact OE2-NZ 2.7Å; K350-N352 PolarHBondContact O-N 3Å; K350-S383 WeakPolarHBondContact CE-O 3.22Å; K350-S383 PolarHBondContact NZ-O 2.9Å; K350-F385 HydrophobicContact CB-CD2 4.34Å; K350-F385 HydrophobicContact CB-CE2 4.49Å; K350-F385 HydrophobicContact CG-CD2 4.44Å
351G88.4Confident96.2Very high48 Ų4836.7 Ų36.750%0.49520%0.204SC..THydrogen-bonded Turntrans75.7-6-178.700000115.1A349A349-G351 PolarHBondContact O-N 3.41Å; A349-G351 VanDerWaalsContact O-N 3.16Å
352N92.6Very high96Very high113 Ų11336.2 Ų36.260%0.60420%0.201SC*.THydrogen-bonded Turntrans-97.3-34-176.4-64.7-40.3000113.4L252 L348 A349 K350L252-N352 HydrophobicContact CD1-CB 4.45Å; L252-N352 HydrophobicContact CD2-CB 3.87Å; L348-N352 PolarHBondContact O-ND2 2.92Å; A349-N352 PolarHBondContact O-N 3.34Å; K350-N352 PolarHBondContact O-N 3Å
353A95.7Very high95.9Very high5 Ų538 Ų384%0.04121%0.213CC..  trans-151.2161.1-174.700000113.5L252 L259 A349L252-A353 HydrophobicContact CD2-CB 3.56Å; L259-A353 HydrophobicContact CD1-CB 4.42Å; L259-A353 HydrophobicContact CG-CB 4.15Å; A349-A353 PolarHBondContact O-N 3.47Å
354T97.6Very high95.7Very high13 Ų1345.8 Ų45.88%0.0823%0.228CC..EExtended strand (participates in β ladder)trans-80.8135.9171-49.70000110.4Y257 G258 L259 Q389 M391Y257-T354 WeakPolarHBondContact O-CB 3.27Å; Y257-T354 PolarHBondContact O-N 3.46Å; Y257-T354 PolarHBondContact O-OG1 3.34Å; G258-T354 CarbonylContact C-O 3.6Å; G258-T354 WeakPolarHBondContact CA-O 3.36Å; L259-T354 PolarHBondContact N-O 3.38Å; T354-Q389 CarbonylContact C-O 3.37Å; T354-Q389 WeakPolarHBondContact CA-O 3.48Å; T354-Q389 WeakPolarHBondContact CG2-O 3.2Å; T354-M391 HydrophobicContact CG2-CE 3.62Å; T354-M391 HydrophobicContact CG2-CG 3.95Å
355L98.3Very high95.6Very high0 Ų050.6 Ų50.60%025%0.25CS..EExtended strand (participates in β ladder)trans-99.9121.1177.2-65.7-177.7000112L259 L345 L346 A349 L357 F385 Q389 M391L259-L355 HydrophobicContact CB-CD2 3.89Å; L259-L355 HydrophobicContact CD1-CD2 4.1Å; L259-L355 HydrophobicContact CG-CD2 4.39Å; L259-L355 WeakPolarHBondContact O-CA 3.31Å; L345-L355 HydrophobicContact CD1-CD2 4.22Å; L345-L355 HydrophobicContact CD2-CD2 4.43Å; L345-L355 HydrophobicContact CG-CD2 4.41Å; L346-L355 HydrophobicContact CD2-CD1 3.72Å; A349-L355 HydrophobicContact CB-CD1 4.45Å; A349-L355 HydrophobicContact CB-CD2 3.84Å; A349-L355 HydrophobicContact CB-CG 4.39Å; L355-L357 HydrophobicContact CB-CD2 3.81Å; L355-L357 HydrophobicContact CB-CG 4.22Å; L355-L357 HydrophobicContact CD1-CD2 4.39Å; L355-F385 HydrophobicContact CB-CE1 4.49Å; L355-F385 HydrophobicContact CB-CZ 4.48Å; L355-F385 HydrophobicContact CD1-CD1 4.45Å; L355-F385 HydrophobicContact CD1-CD2 4.22Å; L355-F385 HydrophobicContact CD1-CE1 3.95Å; L355-F385 HydrophobicContact CD1-CE2 3.68Å; L355-F385 HydrophobicContact CD1-CZ 3.55Å; L355-F385 HydrophobicContact CG-CE1 4.01Å; L355-F385 HydrophobicContact CG-CE2 4.13Å; L355-F385 HydrophobicContact CG-CZ 3.56Å; L355-Q389 PolarHBondContact N-O 3.45Å; L355-M391 PolarHBondContact O-N 2.73Å
356L98.4Very high95.6Very high2 Ų250.9 Ų50.91%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-93101.3168.1-179.770.9000109.2L259 Q260 A261 M391 T411 N430L259-L356 PolarHBondContact O-N 3.35Å; Q260-L356 WeakPolarHBondContact CA-O 3.07Å; Q260-L356 HydrophobicContact CB-CB 4.21Å; Q260-L356 HydrophobicContact CB-CD2 4.09Å; Q260-L356 HydrophobicContact CG-CB 4.44Å; Q260-L356 HydrophobicContact CG-CD2 3.9Å; Q260-L356 HydrophobicContact CG-CG 4.27Å; A261-L356 PolarHBondContact N-O 2.91Å; L356-M391 HydrophobicContact CB-CB 4.48Å; L356-M391 HydrophobicContact CD1-CB 3.69Å; L356-M391 HydrophobicContact CD1-SD 4.06Å; L356-T411 HydrophobicContact CD1-CG2 4.38Å; L356-N430 HydrophobicContact CD1-CB 4.48Å; L356-N430 WeakPolarHBondContact CD2-OD1 3.43Å
357L97.4Very high95.5Very high0 Ų054.9 Ų54.90%028%0.278CS..EExtended strand (participates in β ladder)trans-96108.8-173.5-58.1-170.7000111.1A261 I263 L355 L359 V380 V390 M391 W392 L393A261-L357 HydrophobicContact CB-CD2 4.28Å; I263-L357 HydrophobicContact CD1-CB 4.14Å; I263-L357 HydrophobicContact CD1-CD1 4.05Å; I263-L357 HydrophobicContact CD1-CD2 3.92Å; I263-L357 HydrophobicContact CD1-CG 4.25Å; L355-L357 HydrophobicContact CB-CD2 3.81Å; L355-L357 HydrophobicContact CB-CG 4.22Å; L355-L357 HydrophobicContact CD1-CD2 4.39Å; L357-L359 HydrophobicContact CB-CD1 3.94Å; L357-V380 HydrophobicContact CD1-CG2 3.92Å; L357-V390 HydrophobicContact CD1-CG1 3.87Å; L357-V390 HydrophobicContact CG-CG1 4.27Å; L357-M391 PolarHBondContact N-O 3.37Å; L357-W392 HydrophobicContact CD1-CZ3 4.45Å; L357-L393 WeakPolarHBondContact O-CB 3.43Å; L357-L393 PolarHBondContact O-N 3.33Å
358N96Very high95.5Very high52 Ų5252.5 Ų52.528%0.27826%0.264SS..EExtended strand (participates in β ladder)trans-93.5133.6166-174.326.3000109.1A261 D262 I263 L393A261-N358 PolarHBondContact O-N 3.09Å; D262-N358 WeakPolarHBondContact CA-O 3.44Å; D262-N358 WeakPolarHBondContact OD1-CB 3.13Å; D262-N358 PolarHBondContact OD1-ND2 2.68Å; I263-N358 PolarHBondContact N-O 3.45Å; N358-L393 HydrophobicContact CB-CD2 3.99Å
359L95.1Very high95.4Very high14 Ų1453.2 Ų53.27%0.07326%0.264CS..EExtended strand (participates in β ladder)trans-119.1112.8-177.7-80.766.8000109.4I263 L357 F372 L373 T376 W392 P394I263-L359 HydrophobicContact CB-CD1 4.44Å; I263-L359 HydrophobicContact CB-CG 4.18Å; I263-L359 HydrophobicContact CD1-CD1 3.96Å; I263-L359 HydrophobicContact CD1-CG 4.46Å; I263-L359 CarbonylContact O-C 3.43Å; I263-L359 WeakPolarHBondContact O-CA 3.28Å; L357-L359 HydrophobicContact CB-CD1 3.94Å; L359-F372 HydrophobicContact CB-CE2 4.13Å; L359-F372 HydrophobicContact CD2-CE2 4.46Å; L359-L373 HydrophobicContact CB-CD2 4.32Å; L359-L373 HydrophobicContact CD2-CD2 3.52Å; L359-T376 HydrophobicContact CD1-CG2 4.39Å; L359-T376 HydrophobicContact CD2-CG2 3.67Å; L359-T376 HydrophobicContact CG-CG2 4.14Å; L359-W392 HydrophobicContact CD1-CH2 4.36Å; L359-W392 HydrophobicContact CD1-CZ3 4.36Å; L359-W392 HydrophobicContact CD2-CH2 3.66Å; L359-W392 HydrophobicContact CD2-CZ2 3.98Å; L359-W392 HydrophobicContact CD2-CZ3 4.41Å; L359-P394 HydrophobicContact CB-CG 3.84Å; L359-P394 HydrophobicContact CD1-CG 3.83Å; L359-P394 HydrophobicContact CD2-CG 4.09Å; L359-P394 HydrophobicContact CG-CG 4.12Å
360R92.6Very high95.3Very high58 Ų5860 Ų6022%0.21930%0.3CS..PPolyproline II helixtrans-82.2139.3175.3-80.5-155-47.5-58.3-7.5112.2I263 M274 H275 D276 F372I263-R360 PolarHBondContact O-N 3.24Å; M274-R360 PolarHBondContact O-NH1 3.47Å; M274-R360 PolarHBondContact O-NH2 3.24Å; H275-R360 PolarHBondContact O-NE 3.11Å; H275-R360 VanDerWaalsContact O-NE 3.17Å; H275-R360 PolarHBondContact O-NH1 2.83Å; H275-R360 PolarHBondContact O-NH2 2.95Å; D276-R360 PolarHBondContact O-NH2 3.04Å; R360-F372 VanDerWaalsContact O-CE2 3.31Å; R360-F372 WeakPolarHBondContact O-CE2 3.48Å
361D91.7Very high95.3Very high76 Ų7658.1 Ų58.141%0.40630%0.297SS..PPolyproline II helixtrans-71.9119.9-178.3-110.7-19.6000111.3R369 F372 R396D361-R369 VanDerWaalsContact CG-NH2 3.27Å; D361-R369 IonicContact OD1-CZ 3.49Å; D361-R369 IonicContact OD1-NH1 2.87Å; D361-R369 PolarHBondContact OD1-NH1 3.01Å; D361-R369 IonicContact OD1-NH2 3.61Å; D361-R369 PolarHBondContact OD1-NH2 2.83Å; D361-R369 IonicContact OD2-CZ 3.26Å; D361-R369 IonicContact OD2-NH1 2.92Å; D361-R369 PolarHBondContact OD2-NH1 3.45Å; D361-R369 IonicContact OD2-NH2 3.32Å; D361-R369 PolarHBondContact OD2-NH2 3.28Å; D361-F372 VanDerWaalsContact OD1-CE1 3.3Å; D361-F372 WeakPolarHBondContact OD1-CE1 3.46Å; D361-F372 WeakPolarHBondContact OD1-CZ 3.44Å; D361-R396 VanDerWaalsContact CG-NH1 3.28Å; D361-R396 VanDerWaalsContact CG-NH2 3.26Å; D361-R396 IonicContact OD1-CZ 3.17Å; D361-R396 IonicContact OD1-NH1 2.78Å; D361-R396 PolarHBondContact OD1-NH1 3.25Å; D361-R396 IonicContact OD1-NH2 3.39Å; D361-R396 PolarHBondContact OD1-NH2 2.73Å; D361-R396 IonicContact OD2-CZ 3.46Å; D361-R396 IonicContact OD2-NH1 2.96Å; D361-R396 PolarHBondContact OD2-NH1 3.38Å; D361-R396 IonicContact OD2-NH2 3.08Å; D361-R396 PolarHBondContact OD2-NH2 2.91Å
362P94.6Very high95.6Very high2 Ų255.9 Ų55.91%0.01327%0.274CS..PPolyproline II helixtrans-70.7158173.631.2-36000110.8I265 H366 R369 F372I265-P362 HydrophobicContact CG2-CB 4.18Å; I265-P362 HydrophobicContact CG2-CG 4.04Å; P362-H366 HydrophobicContact CB-CB 3.9Å; P362-H366 HydrophobicContact CG-CB 4.39Å; P362-R369 VanDerWaalsContact O-CD 3.29Å; P362-R369 WeakPolarHBondContact O-CD 3.4Å; P362-R369 PolarHBondContact O-NH1 3.39Å; P362-F372 HydrophobicContact CG-CD1 4.04Å; P362-F372 HydrophobicContact CG-CE1 4.41Å; P362-F372 HydrophobicContact CG-CG 4.16Å
363P95.3Very high95.7Very high38 Ų3851 Ų5125%0.24725%0.248CC..PPolyproline II helixtrans-51.3155.9-179-2935.8000114.3P296 S298 M299 E365 H366 R369P296-P363 HydrophobicContact CB-CG 3.79Å; P296-P363 HydrophobicContact CG-CG 3.96Å; S298-P363 WeakPolarHBondContact OG-CD 3.26Å; M299-P363 HydrophobicContact CG-CG 4.05Å; M299-P363 HydrophobicContact SD-CB 4.35Å; M299-P363 HydrophobicContact SD-CG 4.26Å; P363-E365 PolarHBondContact O-N 3.49Å; P363-E365 VanDerWaalsContact O-N 3.15Å; P363-H366 WeakPolarHBondContact O-CB 3.44Å; P363-H366 PolarHBondContact O-N 2.89Å; P363-R369 WeakPolarHBondContact O-CD 3.33Å
364R95.1Very high95.7Very high229 Ų22953.2 Ų53.286%0.86426%0.259SS*.THydrogen-bonded Turntrans-57.3-32.5-176.6-68.4-176.1179.6-178.20.4113.4H366R364-H366 VanDerWaalsContact C-N 3.32Å
365E95.9Very high95.7Very high165 Ų16554.2 Ų54.277%0.77127%0.265SS*.THydrogen-bonded Turntrans-79.2-8.6179.1-63.5135.6-119.500114P363P363-E365 PolarHBondContact O-N 3.49Å; P363-E365 VanDerWaalsContact O-N 3.15Å
366H97.8Very high95.6Very high5 Ų554.2 Ų54.22%0.02327%0.265CS..  trans-69.1134.2-173.7-169-93.6000111.6S266 S298 M299 P362 P363 R364 Y368 R369S266-H366 PolarHBondContact O-CE1 3.43Å; S266-H366 PolarHBondContact O-NE2 3.31Å; S298-H366 PolarHBondContact O-CD2 2.86Å; S298-H366 PolarHBondContact O-NE2 2.66Å; M299-H366 HydrophobicContact SD-CB 4.14Å; P362-H366 HydrophobicContact CB-CB 3.9Å; P362-H366 HydrophobicContact CG-CB 4.39Å; P363-H366 WeakPolarHBondContact O-CB 3.44Å; P363-H366 PolarHBondContact O-N 2.89Å; R364-H366 VanDerWaalsContact C-N 3.32Å; H366-Y368 VanDerWaalsContact C-N 3.25Å; H366-Y368 AromaticContact CE1-CD2 3.74Å; H366-Y368 PolarHBondContact ND1-N 2.84Å; H366-Y368 PolarHBondContact O-N 3.32Å; H366-R369 WeakPolarHBondContact O-CB 3.35Å; H366-R369 PolarHBondContact O-N 3.46Å
367P97.4Very high95.6Very high86 Ų8654.4 Ų54.456%0.55827%0.266SS*.THydrogen-bonded Turntrans-58-36.8-176.420.2-31.6000113L267 R369L267-P367 HydrophobicContact CD1-CG 3.96Å; P367-R369 VanDerWaalsContact C-N 3.32Å; P367-R369 PolarHBondContact O-N 2.99Å
368Y96.9Very high95.5Very high73 Ų7359.2 Ų59.229%0.28629%0.288SS..THydrogen-bonded Turntrans-85.911.9177-61.4-89.8000114.7I265 H366 N370 S371 F372 V375I265-Y368 HydrophobicContact CD1-CD1 4.11Å; I265-Y368 HydrophobicContact CD1-CD2 4.38Å; I265-Y368 HydrophobicContact CD1-CG 3.87Å; H366-Y368 VanDerWaalsContact C-N 3.25Å; H366-Y368 AromaticContact CE1-CD2 3.74Å; H366-Y368 PolarHBondContact ND1-N 2.84Å; H366-Y368 PolarHBondContact O-N 3.32Å; Y368-N370 PolarHBondContact O-N 3.11Å; Y368-S371 WeakPolarHBondContact CA-OG 3.48Å; Y368-S371 PolarHBondContact O-N 2.85Å; Y368-F372 WeakPolarHBondContact O-CB 3Å; Y368-F372 PolarHBondContact O-N 2.68Å; Y368-V375 HydrophobicContact CD1-CG2 4Å; Y368-V375 HydrophobicContact CE1-CG2 4.3Å
369R95.3Very high95.6Very high57 Ų5758.2 Ų58.222%0.21529%0.288CS..THydrogen-bonded Turntrans-48.4-39.2-174.6174.164.6-164.2147.511.9114.1D361 P362 P363 H366 P367D361-R369 VanDerWaalsContact CG-NH2 3.27Å; D361-R369 IonicContact OD1-CZ 3.49Å; D361-R369 IonicContact OD1-NH1 2.87Å; D361-R369 PolarHBondContact OD1-NH1 3.01Å; D361-R369 IonicContact OD1-NH2 3.61Å; D361-R369 PolarHBondContact OD1-NH2 2.83Å; D361-R369 IonicContact OD2-CZ 3.26Å; D361-R369 IonicContact OD2-NH1 2.92Å; D361-R369 PolarHBondContact OD2-NH1 3.45Å; D361-R369 IonicContact OD2-NH2 3.32Å; D361-R369 PolarHBondContact OD2-NH2 3.28Å; P362-R369 VanDerWaalsContact O-CD 3.29Å; P362-R369 WeakPolarHBondContact O-CD 3.4Å; P362-R369 PolarHBondContact O-NH1 3.39Å; P363-R369 WeakPolarHBondContact O-CD 3.33Å; H366-R369 WeakPolarHBondContact O-CB 3.35Å; H366-R369 PolarHBondContact O-N 3.46Å; P367-R369 VanDerWaalsContact C-N 3.32Å; P367-R369 PolarHBondContact O-N 2.99Å
370N94Very high95.7Very high142 Ų14257.6 Ų57.676%0.75928%0.284SS*.THydrogen-bonded Turntrans-98.6-13.9-177.3-62.7-35.5000113.9Y368Y368-N370 PolarHBondContact O-N 3.11Å
371S95.1Very high95.9Very high43 Ų4357 Ų5730%0.30129%0.285SS..THydrogen-bonded Turntrans-114.8-12.7-171.652.90000114.5Y368 L373 N374 V375Y368-S371 WeakPolarHBondContact CA-OG 3.48Å; Y368-S371 PolarHBondContact O-N 2.85Å; S371-L373 PolarHBondContact O-N 3.31Å; S371-L373 VanDerWaalsContact O-N 3.14Å; S371-N374 WeakPolarHBondContact O-CA 3.39Å; S371-N374 WeakPolarHBondContact O-CB 3.43Å; S371-N374 PolarHBondContact O-N 2.95Å; S371-V375 PolarHBondContact O-N 2.85Å
372F95.4Very high96.2Very high1 Ų160.9 Ų60.90%0.00430%0.301CS..Hα-helixtrans-59.2-31.3-174.284.9-75.9000114.2I265 L359 R360 D361 P362 Y368 N374 V375 T376I265-F372 HydrophobicContact CB-CB 4.23Å; I265-F372 HydrophobicContact CD1-CB 3.95Å; I265-F372 HydrophobicContact CG2-CB 3.65Å; I265-F372 HydrophobicContact CG2-CD2 4.48Å; I265-F372 HydrophobicContact CG2-CG 4.33Å; L359-F372 HydrophobicContact CB-CE2 4.13Å; L359-F372 HydrophobicContact CD2-CE2 4.46Å; R360-F372 VanDerWaalsContact O-CE2 3.31Å; R360-F372 WeakPolarHBondContact O-CE2 3.48Å; D361-F372 VanDerWaalsContact OD1-CE1 3.3Å; D361-F372 WeakPolarHBondContact OD1-CE1 3.46Å; D361-F372 WeakPolarHBondContact OD1-CZ 3.44Å; P362-F372 HydrophobicContact CG-CD1 4.04Å; P362-F372 HydrophobicContact CG-CE1 4.41Å; P362-F372 HydrophobicContact CG-CG 4.16Å; Y368-F372 WeakPolarHBondContact O-CB 3Å; Y368-F372 PolarHBondContact O-N 2.68Å; F372-N374 VanDerWaalsContact C-N 3.3Å; F372-N374 PolarHBondContact O-N 3.3Å; F372-V375 PolarHBondContact O-N 2.96Å; F372-T376 VanDerWaalsContact O-CB 3.32Å; F372-T376 WeakPolarHBondContact O-CB 3.31Å; F372-T376 PolarHBondContact O-N 3.42Å; F372-T376 PolarHBondContact O-OG1 3.4Å
373L94.9Very high96.3Very high9 Ų962.1 Ų62.15%0.04731%0.309CS..Hα-helixtrans-61-39.7172.9-65.2-179.9000111.5L359 S371 L377 P394 R396 Q397L359-L373 HydrophobicContact CB-CD2 4.32Å; L359-L373 HydrophobicContact CD2-CD2 3.52Å; S371-L373 PolarHBondContact O-N 3.31Å; S371-L373 VanDerWaalsContact O-N 3.14Å; L373-L377 VanDerWaalsContact O-CB 3.26Å; L373-L377 WeakPolarHBondContact O-CB 3.19Å; L373-L377 PolarHBondContact O-N 3.36Å; L373-P394 HydrophobicContact CD2-CB 4.37Å; L373-R396 HydrophobicContact CD1-CB 3.91Å; L373-Q397 HydrophobicContact CD1-CG 4.18Å
374N95.5Very high96.3Very high52 Ų5262.7 Ų62.728%0.27832%0.322SS..Hα-helixtrans-72.6-45.3178.1-65.37.6000110.6S371 F372 T376 L377 E378 Q397S371-N374 WeakPolarHBondContact O-CA 3.39Å; S371-N374 WeakPolarHBondContact O-CB 3.43Å; S371-N374 PolarHBondContact O-N 2.95Å; F372-N374 VanDerWaalsContact C-N 3.3Å; F372-N374 PolarHBondContact O-N 3.3Å; N374-T376 VanDerWaalsContact C-N 3.27Å; N374-T376 PolarHBondContact O-N 3.02Å; N374-L377 WeakPolarHBondContact O-CB 3.4Å; N374-L377 PolarHBondContact O-N 3.44Å; N374-L377 VanDerWaalsContact O-N 3.14Å; N374-E378 WeakPolarHBondContact O-CB 3.27Å; N374-E378 WeakPolarHBondContact O-CG 3.48Å; N374-E378 PolarHBondContact O-N 2.85Å; N374-Q397 PolarHBondContact OD1-OE1 2.84Å; N374-Q397 VanDerWaalsContact OD1-OE1 3.05Å
375V96.9Very high96.4Very high34 Ų3452.2 Ų52.221%0.20628%0.283CS..Hα-helixtrans-58.2-41.8176.1-178.50000110.9I265 P271 Y368 S371 F372 A379I265-V375 HydrophobicContact CD1-CB 4.04Å; I265-V375 HydrophobicContact CD1-CG1 3.93Å; I265-V375 HydrophobicContact CD1-CG2 4.34Å; P271-V375 HydrophobicContact CG-CG1 3.97Å; Y368-V375 HydrophobicContact CD1-CG2 4Å; Y368-V375 HydrophobicContact CE1-CG2 4.3Å; S371-V375 PolarHBondContact O-N 2.85Å; F372-V375 PolarHBondContact O-N 2.96Å; V375-A379 WeakPolarHBondContact O-CB 3.32Å; V375-A379 PolarHBondContact O-N 3.47Å
376T97Very high96.5Very high0 Ų046.2 Ų46.20%026%0.258CS..Hα-helixtrans-66.5-44175.6-560000111.8I263 L342 L359 F372 N374 A379 V380 W392I263-T376 HydrophobicContact CD1-CG2 3.94Å; I263-T376 HydrophobicContact CG2-CG2 4.06Å; L342-T376 HydrophobicContact CD2-CG2 3.73Å; L359-T376 HydrophobicContact CD1-CG2 4.39Å; L359-T376 HydrophobicContact CD2-CG2 3.67Å; L359-T376 HydrophobicContact CG-CG2 4.14Å; F372-T376 VanDerWaalsContact O-CB 3.32Å; F372-T376 WeakPolarHBondContact O-CB 3.31Å; F372-T376 PolarHBondContact O-N 3.42Å; F372-T376 PolarHBondContact O-OG1 3.4Å; N374-T376 VanDerWaalsContact C-N 3.27Å; N374-T376 PolarHBondContact O-N 3.02Å; T376-A379 PolarHBondContact O-N 2.97Å; T376-V380 WeakPolarHBondContact O-CG2 3.4Å; T376-V380 PolarHBondContact O-N 2.97Å; T376-W392 HydrophobicContact CG2-CH2 4.33Å; T376-W392 HydrophobicContact CG2-CZ3 4.49Å
377L97Very high96.4Very high7 Ų748.8 Ų48.84%0.03727%0.27CS..Hα-helixtrans-61.1-46.5176.8176.163.5000111.9L373 N374 V380 L381 W392 V401 V404 A405 F408L373-L377 VanDerWaalsContact O-CB 3.26Å; L373-L377 WeakPolarHBondContact O-CB 3.19Å; L373-L377 PolarHBondContact O-N 3.36Å; N374-L377 WeakPolarHBondContact O-CB 3.4Å; N374-L377 PolarHBondContact O-N 3.44Å; N374-L377 VanDerWaalsContact O-N 3.14Å; L377-V380 PolarHBondContact O-N 2.89Å; L377-L381 HydrophobicContact CD1-CD1 4.02Å; L377-L381 HydrophobicContact CD1-CG 4.36Å; L377-L381 HydrophobicContact CG-CD1 3.99Å; L377-L381 VanDerWaalsContact O-CG 3.31Å; L377-L381 WeakPolarHBondContact O-CG 3.26Å; L377-L381 PolarHBondContact O-N 3.28Å; L377-W392 HydrophobicContact CB-CH2 4.36Å; L377-V401 HydrophobicContact CD1-CG1 4.31Å; L377-V401 HydrophobicContact CD2-CG2 4.34Å; L377-V404 HydrophobicContact CD2-CB 4.39Å; L377-V404 HydrophobicContact CD2-CG1 4.39Å; L377-A405 HydrophobicContact CD1-CB 3.93Å; L377-F408 HydrophobicContact CD1-CD2 4.22Å; L377-F408 HydrophobicContact CD1-CE2 3.41Å; L377-F408 VanDerWaalsContact CD1-CE2 3.41Å; L377-F408 HydrophobicContact CD1-CZ 3.87Å
378E96.9Very high96.4Very high100 Ų10050.6 Ų50.647%0.46727%0.271SS..Hα-helixtrans-62.7-43.1177-73.5168.6-157.400111.2N374 V380 L381 H382N374-E378 WeakPolarHBondContact O-CB 3.27Å; N374-E378 WeakPolarHBondContact O-CG 3.48Å; N374-E378 PolarHBondContact O-N 2.85Å; E378-V380 PolarHBondContact O-N 3.09Å; E378-L381 PolarHBondContact O-N 3.45Å; E378-H382 VanDerWaalsContact O-CB 3.31Å; E378-H382 WeakPolarHBondContact O-CB 3.31Å; E378-H382 PolarHBondContact O-N 3.44Å; E378-H382 PolarHBondContact O-ND1 3.27Å
379A97.3Very high96.3Very high32 Ų3248.8 Ų48.826%0.26427%0.265SS..Hα-helixtrans-59.3-44.4174.800000112.5P271 L342 V375 T376 S383P271-A379 HydrophobicContact CG-CB 4.43Å; L342-A379 HydrophobicContact CD2-CB 4.2Å; V375-A379 WeakPolarHBondContact O-CB 3.32Å; V375-A379 PolarHBondContact O-N 3.47Å; T376-A379 PolarHBondContact O-N 2.97Å; A379-S383 PolarHBondContact O-N 3.5Å; A379-S383 VanDerWaalsContact O-N 3.12Å
380V97.8Very high96.4Very high0 Ų046 Ų460%026%0.255CS..Hα-helixtrans-63.2-44.5175.5178.30000111L342 L346 L357 T376 L377 E378 S383 F385 V390 F408L342-V380 HydrophobicContact CD2-CG2 4.23Å; L346-V380 HydrophobicContact CD1-CB 4.46Å; L346-V380 HydrophobicContact CD1-CG2 4.12Å; L346-V380 HydrophobicContact CD2-CG1 4.18Å; L346-V380 HydrophobicContact CD2-CG2 4.22Å; L357-V380 HydrophobicContact CD1-CG2 3.92Å; T376-V380 WeakPolarHBondContact O-CG2 3.4Å; T376-V380 PolarHBondContact O-N 2.97Å; L377-V380 PolarHBondContact O-N 2.89Å; E378-V380 PolarHBondContact O-N 3.09Å; V380-S383 PolarHBondContact O-OG 2.88Å; V380-F385 HydrophobicContact CG1-CB 4.49Å; V380-V390 HydrophobicContact CG1-CG2 3.99Å; V380-F408 HydrophobicContact CB-CZ 4.15Å; V380-F408 HydrophobicContact CG1-CE1 4.09Å; V380-F408 HydrophobicContact CG1-CZ 3.57Å
381L97.1Very high96.6Very high46 Ų4639.4 Ų39.424%0.24122%0.219CC..Hα-helixtrans-67.7-43.8-179.6-69.7170.8000112.8L377 E378 S383 G384 Q387 V404 A405 F408L377-L381 HydrophobicContact CD1-CD1 4.02Å; L377-L381 HydrophobicContact CD1-CG 4.36Å; L377-L381 HydrophobicContact CG-CD1 3.99Å; L377-L381 VanDerWaalsContact O-CG 3.31Å; L377-L381 WeakPolarHBondContact O-CG 3.26Å; L377-L381 PolarHBondContact O-N 3.28Å; E378-L381 PolarHBondContact O-N 3.45Å; L381-S383 VanDerWaalsContact C-N 3.3Å; L381-S383 PolarHBondContact O-N 2.89Å; L381-G384 PolarHBondContact O-N 3.43Å; L381-G384 VanDerWaalsContact O-N 3.14Å; L381-Q387 HydrophobicContact CD2-CG 4.16Å; L381-Q387 VanDerWaalsContact CD2-NE2 3.34Å; L381-V404 HydrophobicContact CD1-CG1 3.72Å; L381-A405 HydrophobicContact CD1-CB 4.45Å; L381-A405 HydrophobicContact CD2-CB 4.03Å; L381-F408 HydrophobicContact CD2-CE1 4.47Å
382H96.6Very high96.7Very high158 Ų15837.4 Ų37.473%0.73121%0.205SC*.Hα-helixtrans-67.5-27.5179.2-67157.6000113.2E378 G384E378-H382 VanDerWaalsContact O-CB 3.31Å; E378-H382 WeakPolarHBondContact O-CB 3.31Å; E378-H382 PolarHBondContact O-N 3.44Å; E378-H382 PolarHBondContact O-ND1 3.27Å; H382-G384 PolarHBondContact O-N 3.18Å
383S97.1Very high96.7Very high28 Ų2838.3 Ų38.320%0.19621%0.21CC..THydrogen-bonded Turntrans-65.2-15.8173.175.40000113.8K350 A379 V380 L381 F385K350-S383 WeakPolarHBondContact CE-O 3.22Å; K350-S383 PolarHBondContact NZ-O 2.9Å; A379-S383 PolarHBondContact O-N 3.5Å; A379-S383 VanDerWaalsContact O-N 3.12Å; V380-S383 PolarHBondContact O-OG 2.88Å; L381-S383 VanDerWaalsContact C-N 3.3Å; L381-S383 PolarHBondContact O-N 2.89Å; S383-F385 PolarHBondContact O-N 3.01Å; S383-F385 WeakPolarHBondContact OG-CB 3.33Å; S383-F385 PolarHBondContact OG-N 3.22Å
384G96Very high96.6Very high50 Ų5038.6 Ų38.652%0.51521%0.212SC..THydrogen-bonded Turntrans68.320.9-172.900000113.5L381 H382L381-G384 PolarHBondContact O-N 3.43Å; L381-G384 VanDerWaalsContact O-N 3.14Å; H382-G384 PolarHBondContact O-N 3.18Å
385F97.3Very high96.3Very high8 Ų840.2 Ų40.24%0.03523%0.228CC..  trans-63.5136.5175.2-163.6-86.6000110.7L346 A349 K350 L355 V380 S383 Q387 Q389 V390L346-F385 HydrophobicContact CB-CD2 4.47Å; L346-F385 HydrophobicContact CD2-CB 3.87Å; L346-F385 HydrophobicContact CD2-CD2 3.78Å; L346-F385 HydrophobicContact CD2-CE2 4.5Å; L346-F385 HydrophobicContact CD2-CG 3.8Å; L346-F385 WeakPolarHBondContact O-CD2 3.37Å; A349-F385 HydrophobicContact CB-CE2 3.95Å; A349-F385 HydrophobicContact CB-CZ 4.43Å; K350-F385 HydrophobicContact CB-CD2 4.34Å; K350-F385 HydrophobicContact CB-CE2 4.49Å; K350-F385 HydrophobicContact CG-CD2 4.44Å; L355-F385 HydrophobicContact CB-CE1 4.49Å; L355-F385 HydrophobicContact CB-CZ 4.48Å; L355-F385 HydrophobicContact CD1-CD1 4.45Å; L355-F385 HydrophobicContact CD1-CD2 4.22Å; L355-F385 HydrophobicContact CD1-CE1 3.95Å; L355-F385 HydrophobicContact CD1-CE2 3.68Å; L355-F385 HydrophobicContact CD1-CZ 3.55Å; L355-F385 HydrophobicContact CG-CE1 4.01Å; L355-F385 HydrophobicContact CG-CE2 4.13Å; L355-F385 HydrophobicContact CG-CZ 3.56Å; V380-F385 HydrophobicContact CG1-CB 4.49Å; S383-F385 PolarHBondContact O-N 3.01Å; S383-F385 WeakPolarHBondContact OG-CB 3.33Å; S383-F385 PolarHBondContact OG-N 3.22Å; F385-Q387 PolarHBondContact O-N 3.32Å; F385-Q387 VanDerWaalsContact O-N 3.08Å; F385-Q389 HydrophobicContact CD1-CB 4.46Å; F385-Q389 HydrophobicContact CE1-CB 3.63Å; F385-Q389 HydrophobicContact CZ-CB 4.32Å; F385-V390 HydrophobicContact CD1-CG2 3.63Å; F385-V390 HydrophobicContact CE1-CG2 4Å
386P97.2Very high96Very high39 Ų3943 Ų4325%0.25324%0.235SC..  trans-60.7116-176.5-25.235.8000112H388 Q389P386-H388 PolarHBondContact O-N 2.95Å; P386-H388 VanDerWaalsContact O-N 3.12Å; P386-Q389 HydrophobicContact CB-CB 4.3Å; P386-Q389 HydrophobicContact CB-CG 4.16Å; P386-Q389 WeakPolarHBondContact O-CA 3.34Å; P386-Q389 WeakPolarHBondContact O-CB 3.42Å; P386-Q389 PolarHBondContact O-N 3.29Å
387Q96.4Very high95.6Very high60 Ų6046.6 Ų46.628%0.2825%0.251SS..G310 helixtrans-54.8-38.3-174.1-67.3-169.112.700113.3L381 F385 Q389 V390 G407 F408L381-Q387 HydrophobicContact CD2-CG 4.16Å; L381-Q387 VanDerWaalsContact CD2-NE2 3.34Å; F385-Q387 PolarHBondContact O-N 3.32Å; F385-Q387 VanDerWaalsContact O-N 3.08Å; Q387-Q389 PolarHBondContact O-N 3.37Å; Q387-V390 PolarHBondContact O-N 2.81Å; Q387-G407 CarbonylContact C-O 3.49Å; Q387-G407 CarbonylContact O-C 3.59Å; Q387-F408 HydrophobicContact CB-CD1 3.86Å; Q387-F408 HydrophobicContact CB-CE1 4.1Å; Q387-F408 HydrophobicContact CG-CD1 4.18Å; Q387-F408 HydrophobicContact CG-CE1 4Å; Q387-F408 WeakPolarHBondContact O-CD1 3.42Å
388H95.8Very high95.3Very high123 Ų12347 Ų4757%0.56925%0.252SS*.G310 helixtrans-67.5-16.2178.671.4-92000113.5P386 V390 G407 Q409P386-H388 PolarHBondContact O-N 2.95Å; P386-H388 VanDerWaalsContact O-N 3.12Å; H388-V390 VanDerWaalsContact C-N 3.35Å; H388-G407 WeakPolarHBondContact CA-O 3.34Å; H388-Q409 PolarHBondContact O-NE2 2.99Å
389Q96.7Very high95.1Very high35 Ų3547.5 Ų47.516%0.16426%0.264CS..G310 helixtrans-906.8172.7-68.3-178.7-27.700112.7T354 L355 F385 P386 Q387T354-Q389 CarbonylContact C-O 3.37Å; T354-Q389 WeakPolarHBondContact CA-O 3.48Å; T354-Q389 WeakPolarHBondContact CG2-O 3.2Å; L355-Q389 PolarHBondContact N-O 3.45Å; F385-Q389 HydrophobicContact CD1-CB 4.46Å; F385-Q389 HydrophobicContact CE1-CB 3.63Å; F385-Q389 HydrophobicContact CZ-CB 4.32Å; P386-Q389 HydrophobicContact CB-CB 4.3Å; P386-Q389 HydrophobicContact CB-CG 4.16Å; P386-Q389 WeakPolarHBondContact O-CA 3.34Å; P386-Q389 WeakPolarHBondContact O-CB 3.42Å; P386-Q389 PolarHBondContact O-N 3.29Å; Q387-Q389 PolarHBondContact O-N 3.37Å
390V97.6Very high94.9Very high0 Ų049.2 Ų49.20%027%0.268CS..EExtended strand (participates in β ladder)trans-106115.9177.3-175.60000110.4L357 V380 F385 Q387 H388 W392 F408 Q409L357-V390 HydrophobicContact CD1-CG1 3.87Å; L357-V390 HydrophobicContact CG-CG1 4.27Å; V380-V390 HydrophobicContact CG1-CG2 3.99Å; F385-V390 HydrophobicContact CD1-CG2 3.63Å; F385-V390 HydrophobicContact CE1-CG2 4Å; Q387-V390 PolarHBondContact O-N 2.81Å; H388-V390 VanDerWaalsContact C-N 3.35Å; V390-W392 HydrophobicContact CG1-CE3 4.47Å; V390-F408 HydrophobicContact CB-CD1 3.69Å; V390-F408 HydrophobicContact CB-CE1 3.8Å; V390-F408 HydrophobicContact CB-CG 4.08Å; V390-F408 HydrophobicContact CB-CZ 4.28Å; V390-F408 HydrophobicContact CG1-CD1 4.08Å; V390-F408 HydrophobicContact CG1-CD2 4.02Å; V390-F408 HydrophobicContact CG1-CE1 4.04Å; V390-F408 HydrophobicContact CG1-CE2 3.98Å; V390-F408 HydrophobicContact CG1-CG 4.08Å; V390-F408 HydrophobicContact CG1-CZ 4.01Å; V390-F408 HydrophobicContact CG2-CD1 4.11Å; V390-F408 HydrophobicContact CG2-CE1 3.76Å; V390-F408 HydrophobicContact CG2-CZ 4.27Å; V390-Q409 WeakPolarHBondContact O-CB 3.23Å; V390-Q409 PolarHBondContact O-N 3.01Å
391M97.4Very high94.7Very high2 Ų249.4 Ų49.41%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-89.7109.1166.5-63.3-167.2-148.800109.6I231 Y257 T354 L355 L356 L357 L393 Q409 R428I231-M391 HydrophobicContact CD1-CE 4.11Å; Y257-M391 HydrophobicContact CE1-CE 3.71Å; T354-M391 HydrophobicContact CG2-CE 3.62Å; T354-M391 HydrophobicContact CG2-CG 3.95Å; L355-M391 PolarHBondContact O-N 2.73Å; L356-M391 HydrophobicContact CB-CB 4.48Å; L356-M391 HydrophobicContact CD1-CB 3.69Å; L356-M391 HydrophobicContact CD1-SD 4.06Å; L357-M391 PolarHBondContact N-O 3.37Å; M391-L393 PolarHBondContact O-N 2.91Å; M391-Q409 CarbonylContact C-O 3.54Å; M391-Q409 WeakPolarHBondContact CA-O 3.44Å; M391-Q409 HydrophobicContact CG-CB 4.2Å; M391-R428 VanDerWaalsContact SD-CD 3.58Å
392W96.3Very high94.5Very high2 Ų251.6 Ų51.61%0.00828%0.275CS..EExtended strand (participates in β ladder)trans-94.8100.7-175.2-170.5-94000111.2L357 L359 T376 L377 V390 P394 R398 V401 F408 Q409 T411L357-W392 HydrophobicContact CD1-CZ3 4.45Å; L359-W392 HydrophobicContact CD1-CH2 4.36Å; L359-W392 HydrophobicContact CD1-CZ3 4.36Å; L359-W392 HydrophobicContact CD2-CH2 3.66Å; L359-W392 HydrophobicContact CD2-CZ2 3.98Å; L359-W392 HydrophobicContact CD2-CZ3 4.41Å; T376-W392 HydrophobicContact CG2-CH2 4.33Å; T376-W392 HydrophobicContact CG2-CZ3 4.49Å; L377-W392 HydrophobicContact CB-CH2 4.36Å; V390-W392 HydrophobicContact CG1-CE3 4.47Å; W392-P394 HydrophobicContact CD2-CG 4.48Å; W392-P394 HydrophobicContact CZ2-CB 4.45Å; W392-P394 HydrophobicContact CZ2-CG 4.13Å; W392-R398 PolarHBondContact O-NH1 3.49Å; W392-V401 HydrophobicContact CD2-CG1 4.28Å; W392-V401 HydrophobicContact CG-CG1 4.17Å; W392-V401 HydrophobicContact CZ2-CG2 4.24Å; W392-F408 HydrophobicContact CB-CB 4.28Å; W392-F408 HydrophobicContact CB-CD2 4.01Å; W392-F408 HydrophobicContact CD2-CD2 4.01Å; W392-F408 HydrophobicContact CD2-CE2 4.25Å; W392-F408 AromaticContact CE3-CD2 3.75Å; W392-F408 HydrophobicContact CE3-CD2 3.75Å; W392-F408 AromaticContact CE3-CE2 3.59Å; W392-F408 HydrophobicContact CE3-CE2 3.59Å; W392-F408 HydrophobicContact CG-CD2 4.15Å; W392-F408 AromaticContact CZ3-CE2 3.95Å; W392-F408 HydrophobicContact CZ3-CE2 3.95Å; W392-Q409 PolarHBondContact N-O 3.47Å; W392-T411 PolarHBondContact O-N 3.38Å
393L95.2Very high94.4Very high20 Ų2052.4 Ų52.411%0.10528%0.276CS..  trans-71.6-37.4-178.7-159.366000114.9L357 N358 M391 S395 R398 T411 N430L357-L393 WeakPolarHBondContact O-CB 3.43Å; L357-L393 PolarHBondContact O-N 3.33Å; N358-L393 HydrophobicContact CB-CD2 3.99Å; M391-L393 PolarHBondContact O-N 2.91Å; L393-S395 PolarHBondContact O-N 3.09Å; L393-R398 PolarHBondContact O-NH2 2.99Å; L393-T411 WeakPolarHBondContact CA-O 3.35Å; L393-T411 HydrophobicContact CD1-CG2 3.81Å; L393-N430 HydrophobicContact CD1-CB 3.78Å
394P93.1Very high94.3Very high15 Ų1554.5 Ų54.510%0.09729%0.288CS..  trans-59.9127-174.5-27.235.4000114.3L359 L373 W392 R398L359-P394 HydrophobicContact CB-CG 3.84Å; L359-P394 HydrophobicContact CD1-CG 3.83Å; L359-P394 HydrophobicContact CD2-CG 4.09Å; L359-P394 HydrophobicContact CG-CG 4.12Å; L373-P394 HydrophobicContact CD2-CB 4.37Å; W392-P394 HydrophobicContact CD2-CG 4.48Å; W392-P394 HydrophobicContact CZ2-CB 4.45Å; W392-P394 HydrophobicContact CZ2-CG 4.13Å; P394-R398 VanDerWaalsContact O-CZ 3.32Å; P394-R398 PolarHBondContact O-NH1 3.34Å
395S90Very high94.3Very high86 Ų8652.1 Ų52.160%0.60126%0.263SS*.  trans-77.5-27.7177.657.40000113.8L393 R398L393-S395 PolarHBondContact O-N 3.09Å; S395-R398 WeakPolarHBondContact O-CG 3.37Å
396R89.6Confident94.2Very high93 Ų9356.5 Ų56.535%0.35129%0.292SS..THydrogen-bonded Turntrans-70.4143.3178-67.8177.3-60.5173.33.9110.8D361 L373 R398D361-R396 VanDerWaalsContact CG-NH1 3.28Å; D361-R396 VanDerWaalsContact CG-NH2 3.26Å; D361-R396 IonicContact OD1-CZ 3.17Å; D361-R396 IonicContact OD1-NH1 2.78Å; D361-R396 PolarHBondContact OD1-NH1 3.25Å; D361-R396 IonicContact OD1-NH2 3.39Å; D361-R396 PolarHBondContact OD1-NH2 2.73Å; D361-R396 IonicContact OD2-CZ 3.46Å; D361-R396 IonicContact OD2-NH1 2.96Å; D361-R396 PolarHBondContact OD2-NH1 3.38Å; D361-R396 IonicContact OD2-NH2 3.08Å; D361-R396 PolarHBondContact OD2-NH2 2.91Å; L373-R396 HydrophobicContact CD1-CB 3.91Å; R396-R398 PolarHBondContact O-N 3.44Å; R396-R398 VanDerWaalsContact O-N 3.08Å
397Q89.5Confident94.1Very high74 Ų7456.1 Ų56.135%0.34630%0.295SS..THydrogen-bonded Turntrans57.915.9177.3-48-170.320.800115.7L373 N374 P399 L400 V401L373-Q397 HydrophobicContact CD1-CG 4.18Å; N374-Q397 PolarHBondContact OD1-OE1 2.84Å; N374-Q397 VanDerWaalsContact OD1-OE1 3.05Å; Q397-P399 VanDerWaalsContact C-N 3.27Å; Q397-P399 VanDerWaalsContact O-N 3.09Å; Q397-L400 HydrophobicContact CB-CB 4.38Å; Q397-L400 WeakPolarHBondContact O-CA 3.38Å; Q397-L400 WeakPolarHBondContact O-CB 3.19Å; Q397-L400 PolarHBondContact O-N 2.63Å; Q397-V401 PolarHBondContact O-N 2.94Å
398R91.1Very high94.1Very high17 Ų1753.6 Ų53.66%0.06428%0.283CS..Hα-helixtrans-46.3-39.2174.3-76.6-166.1-163.9-70.1-5.5114.8W392 L393 P394 S395 R396 L400 V401 R402 T411W392-R398 PolarHBondContact O-NH1 3.49Å; L393-R398 PolarHBondContact O-NH2 2.99Å; P394-R398 VanDerWaalsContact O-CZ 3.32Å; P394-R398 PolarHBondContact O-NH1 3.34Å; S395-R398 WeakPolarHBondContact O-CG 3.37Å; R396-R398 PolarHBondContact O-N 3.44Å; R396-R398 VanDerWaalsContact O-N 3.08Å; R398-L400 VanDerWaalsContact C-N 3.3Å; R398-L400 PolarHBondContact O-N 3.28Å; R398-V401 PolarHBondContact O-N 3.43Å; R398-R402 WeakPolarHBondContact O-CB 3.41Å; R398-R402 WeakPolarHBondContact O-CG 3.19Å; R398-R402 PolarHBondContact O-N 2.92Å; R398-T411 PolarHBondContact NH1-O 3.4Å; R398-T411 PolarHBondContact NH2-O 2.97Å
399P92.2Very high94.1Very high109 Ų10949.7 Ų49.771%0.70827%0.265SS*.Hα-helixtrans-61.1-35.2175.3-25.436.1000113.9Q397 K403Q397-P399 VanDerWaalsContact C-N 3.27Å; Q397-P399 VanDerWaalsContact O-N 3.09Å; P399-K403 PolarHBondContact O-N 3.23Å
400L92.1Very high94.1Very high68 Ų6848.5 Ų48.536%0.35626%0.26SS..Hα-helixtrans-71.5-50.1174179.265.4000110.5Q397 R398 R402 K403 V404Q397-L400 HydrophobicContact CB-CB 4.38Å; Q397-L400 WeakPolarHBondContact O-CA 3.38Å; Q397-L400 WeakPolarHBondContact O-CB 3.19Å; Q397-L400 PolarHBondContact O-N 2.63Å; R398-L400 VanDerWaalsContact C-N 3.3Å; R398-L400 PolarHBondContact O-N 3.28Å; L400-R402 VanDerWaalsContact C-N 3.3Å; L400-R402 PolarHBondContact O-N 3.08Å; L400-K403 WeakPolarHBondContact O-CA 3.46Å; L400-K403 WeakPolarHBondContact O-CB 3.46Å; L400-K403 PolarHBondContact O-N 3.42Å; L400-V404 HydrophobicContact CD1-CG2 3.92Å; L400-V404 HydrophobicContact CG-CG2 4.38Å; L400-V404 WeakPolarHBondContact O-CG2 3.43Å; L400-V404 PolarHBondContact O-N 3.25Å
401V94Very high94Very high5 Ų548.6 Ų48.63%0.0326%0.26CS..Hα-helixtrans-57.4-44.1179.8-1790000110.8L377 W392 Q397 R398 K403 V404 A405 F408L377-V401 HydrophobicContact CD1-CG1 4.31Å; L377-V401 HydrophobicContact CD2-CG2 4.34Å; W392-V401 HydrophobicContact CD2-CG1 4.28Å; W392-V401 HydrophobicContact CG-CG1 4.17Å; W392-V401 HydrophobicContact CZ2-CG2 4.24Å; Q397-V401 PolarHBondContact O-N 2.94Å; R398-V401 PolarHBondContact O-N 3.43Å; V401-K403 VanDerWaalsContact C-N 3.27Å; V401-K403 PolarHBondContact O-N 2.9Å; V401-V404 PolarHBondContact O-N 3.4Å; V401-A405 CarbonylContact O-C 3.52Å; V401-A405 WeakPolarHBondContact O-CA 3.32Å; V401-A405 PolarHBondContact O-N 2.94Å; V401-F408 HydrophobicContact CG1-CD2 3.75Å; V401-F408 HydrophobicContact CG1-CE2 4.42Å
402R93.6Very high93.9Very high92 Ų9248.5 Ų48.535%0.34726%0.259SS..Hα-helixtrans-63.9-27.6175.4-75.4178.558.9-170.4-5.1114.1R398 L400 P406 Q410 G424 H425R398-R402 WeakPolarHBondContact O-CB 3.41Å; R398-R402 WeakPolarHBondContact O-CG 3.19Å; R398-R402 PolarHBondContact O-N 2.92Å; L400-R402 VanDerWaalsContact C-N 3.3Å; L400-R402 PolarHBondContact O-N 3.08Å; R402-P406 WeakPolarHBondContact O-CA 3.41Å; R402-Q410 HydrophobicContact CG-CG 4.01Å; R402-G424 PolarHBondContact NH1-O 2.97Å; R402-G424 VanDerWaalsContact NH1-O 3.14Å; R402-H425 VanDerWaalsContact NH1-CB 3.33Å; R402-H425 PolarHBondContact NH1-ND1 3.13Å; R402-H425 VanDerWaalsContact NH1-ND1 3.11Å; R402-H425 PolarHBondContact NH2-CD2 2.83Å; R402-H425 PolarHBondContact NH2-NE2 3.07Å
403K94.3Very high93.8Very high175 Ų17550 Ų5076%0.76128%0.276SS*.Hα-helixtrans-79.4-37.8177.6-175.3-178.2176.8-174.60111.9P399 L400 V401P399-K403 PolarHBondContact O-N 3.23Å; L400-K403 WeakPolarHBondContact O-CA 3.46Å; L400-K403 WeakPolarHBondContact O-CB 3.46Å; L400-K403 PolarHBondContact O-N 3.42Å; V401-K403 VanDerWaalsContact C-N 3.27Å; V401-K403 PolarHBondContact O-N 2.9Å
404V95.6Very high93.6Very high72 Ų7251.9 Ų51.944%0.43629%0.29SS..Hα-helixtrans-92.4-37.7-174.1-177.80000112.1L377 L381 L400 V401 P406L377-V404 HydrophobicContact CD2-CB 4.39Å; L377-V404 HydrophobicContact CD2-CG1 4.39Å; L381-V404 HydrophobicContact CD1-CG1 3.72Å; L400-V404 HydrophobicContact CD1-CG2 3.92Å; L400-V404 HydrophobicContact CG-CG2 4.38Å; L400-V404 WeakPolarHBondContact O-CG2 3.43Å; L400-V404 PolarHBondContact O-N 3.25Å; V401-V404 PolarHBondContact O-N 3.4Å; V404-P406 VanDerWaalsContact C-CD 3.49Å; V404-P406 WeakPolarHBondContact O-CD 3.3Å
405A96.1Very high93.7Very high0 Ų055.7 Ų55.70%031%0.305CS..  trans-126.566.4-18000000110.8L377 L381 V401 G407 F408L377-A405 HydrophobicContact CD1-CB 3.93Å; L381-A405 HydrophobicContact CD1-CB 4.45Å; L381-A405 HydrophobicContact CD2-CB 4.03Å; V401-A405 CarbonylContact O-C 3.52Å; V401-A405 WeakPolarHBondContact O-CA 3.32Å; V401-A405 PolarHBondContact O-N 2.94Å; A405-G407 PolarHBondContact O-N 3.29Å; A405-G407 VanDerWaalsContact O-N 3.1Å; A405-F408 HydrophobicContact CB-CD1 3.78Å; A405-F408 HydrophobicContact CB-CD2 3.91Å; A405-F408 HydrophobicContact CB-CE1 3.86Å; A405-F408 HydrophobicContact CB-CE2 3.99Å; A405-F408 HydrophobicContact CB-CG 3.79Å; A405-F408 HydrophobicContact CB-CZ 3.95Å; A405-F408 PolarHBondContact O-N 3.43Å
406P95.1Very high93.7Very high100 Ų10053.6 Ų53.665%0.64929%0.286SS*.THydrogen-bonded Turntrans-61.9-19.3-175.626.3-35.8000113.9R402 V404R402-P406 WeakPolarHBondContact O-CA 3.41Å; V404-P406 VanDerWaalsContact C-CD 3.49Å; V404-P406 WeakPolarHBondContact O-CD 3.3Å
407G95.6Very high93.8Very high30 Ų3052.2 Ų52.231%0.30930%0.295SS..THydrogen-bonded Turntrans-77.4-15175.400000114.9Q387 H388 A405 Q409Q387-G407 CarbonylContact C-O 3.49Å; Q387-G407 CarbonylContact O-C 3.59Å; H388-G407 WeakPolarHBondContact CA-O 3.34Å; A405-G407 PolarHBondContact O-N 3.29Å; A405-G407 VanDerWaalsContact O-N 3.1Å; G407-Q409 PolarHBondContact O-N 3.44Å
408F96.3Very high93.9Very high7 Ų750 Ų503%0.03129%0.286CS..SBendtrans-66.1123.7-178.4-78.913.8000111.4L377 V380 L381 Q387 V390 W392 V401 A405 Q410L377-F408 HydrophobicContact CD1-CD2 4.22Å; L377-F408 HydrophobicContact CD1-CE2 3.41Å; L377-F408 VanDerWaalsContact CD1-CE2 3.41Å; L377-F408 HydrophobicContact CD1-CZ 3.87Å; V380-F408 HydrophobicContact CB-CZ 4.15Å; V380-F408 HydrophobicContact CG1-CE1 4.09Å; V380-F408 HydrophobicContact CG1-CZ 3.57Å; L381-F408 HydrophobicContact CD2-CE1 4.47Å; Q387-F408 HydrophobicContact CB-CD1 3.86Å; Q387-F408 HydrophobicContact CB-CE1 4.1Å; Q387-F408 HydrophobicContact CG-CD1 4.18Å; Q387-F408 HydrophobicContact CG-CE1 4Å; Q387-F408 WeakPolarHBondContact O-CD1 3.42Å; V390-F408 HydrophobicContact CB-CD1 3.69Å; V390-F408 HydrophobicContact CB-CE1 3.8Å; V390-F408 HydrophobicContact CB-CG 4.08Å; V390-F408 HydrophobicContact CB-CZ 4.28Å; V390-F408 HydrophobicContact CG1-CD1 4.08Å; V390-F408 HydrophobicContact CG1-CD2 4.02Å; V390-F408 HydrophobicContact CG1-CE1 4.04Å; V390-F408 HydrophobicContact CG1-CE2 3.98Å; V390-F408 HydrophobicContact CG1-CG 4.08Å; V390-F408 HydrophobicContact CG1-CZ 4.01Å; V390-F408 HydrophobicContact CG2-CD1 4.11Å; V390-F408 HydrophobicContact CG2-CE1 3.76Å; V390-F408 HydrophobicContact CG2-CZ 4.27Å; W392-F408 HydrophobicContact CB-CB 4.28Å; W392-F408 HydrophobicContact CB-CD2 4.01Å; W392-F408 HydrophobicContact CD2-CD2 4.01Å; W392-F408 HydrophobicContact CD2-CE2 4.25Å; W392-F408 AromaticContact CE3-CD2 3.75Å; W392-F408 HydrophobicContact CE3-CD2 3.75Å; W392-F408 AromaticContact CE3-CE2 3.59Å; W392-F408 HydrophobicContact CE3-CE2 3.59Å; W392-F408 HydrophobicContact CG-CD2 4.15Å; W392-F408 AromaticContact CZ3-CE2 3.95Å; W392-F408 HydrophobicContact CZ3-CE2 3.95Å; V401-F408 HydrophobicContact CG1-CD2 3.75Å; V401-F408 HydrophobicContact CG1-CE2 4.42Å; A405-F408 HydrophobicContact CB-CD1 3.78Å; A405-F408 HydrophobicContact CB-CD2 3.91Å; A405-F408 HydrophobicContact CB-CE1 3.86Å; A405-F408 HydrophobicContact CB-CE2 3.99Å; A405-F408 HydrophobicContact CB-CG 3.79Å; A405-F408 HydrophobicContact CB-CZ 3.95Å; A405-F408 PolarHBondContact O-N 3.43Å; F408-Q410 PolarHBondContact O-N 3.41Å; F408-Q410 PolarHBondContact O-NE2 2.9Å; F408-Q410 VanDerWaalsContact O-NE2 3.15Å
409Q95.4Very high93.9Very high41 Ų4153.7 Ų53.719%0.19231%0.311CS..EExtended strand (participates in β ladder)trans-65.1106.2175.7-62.1-176.875.600109.1H388 V390 M391 W392 G407 T411 R428H388-Q409 PolarHBondContact O-NE2 2.99Å; V390-Q409 WeakPolarHBondContact O-CB 3.23Å; V390-Q409 PolarHBondContact O-N 3.01Å; M391-Q409 CarbonylContact C-O 3.54Å; M391-Q409 WeakPolarHBondContact CA-O 3.44Å; M391-Q409 HydrophobicContact CG-CB 4.2Å; W392-Q409 PolarHBondContact N-O 3.47Å; G407-Q409 PolarHBondContact O-N 3.44Å; Q409-T411 PolarHBondContact O-N 3.42Å; Q409-T411 PolarHBondContact O-OG1 3.21Å; Q409-R428 VanDerWaalsContact OE1-CZ 3.28Å
410Q95.2Very high93.9Very high11 Ų1150.3 Ų50.35%0.05129%0.29CS..EExtended strand (participates in β ladder)trans-71.9114.2179.8-61.3-57.8-56.300109.8R402 F408 I426 Q427 R428R402-Q410 HydrophobicContact CG-CG 4.01Å; F408-Q410 PolarHBondContact O-N 3.41Å; F408-Q410 PolarHBondContact O-NE2 2.9Å; F408-Q410 VanDerWaalsContact O-NE2 3.15Å; Q410-I426 HydrophobicContact CB-CG1 4.36Å; Q410-I426 WeakPolarHBondContact O-CG2 3.29Å; Q410-Q427 PolarHBondContact O-N 2.96Å; Q410-R428 PolarHBondContact O-N 2.94Å
411T95.8Very high93.9Very high1 Ų147.1 Ų47.11%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-118.6125.3-175.8-56.60000110L356 W392 L393 R398 Q409 R428 N430L356-T411 HydrophobicContact CD1-CG2 4.38Å; W392-T411 PolarHBondContact O-N 3.38Å; L393-T411 WeakPolarHBondContact CA-O 3.35Å; L393-T411 HydrophobicContact CD1-CG2 3.81Å; R398-T411 PolarHBondContact NH1-O 3.4Å; R398-T411 PolarHBondContact NH2-O 2.97Å; Q409-T411 PolarHBondContact O-N 3.42Å; Q409-T411 PolarHBondContact O-OG1 3.21Å; T411-R428 CarbonylContact C-O 3.57Å; T411-R428 VanDerWaalsContact CA-O 3.32Å; T411-R428 WeakPolarHBondContact CA-O 3.35Å; T411-R428 HydrophobicContact CG2-CB 3.84Å; T411-R428 WeakPolarHBondContact OG1-CB 3.29Å; T411-N430 HydrophobicContact CG2-CB 3.78Å
412S95.6Very high93.7Very high0 Ų055.4 Ų55.40%030%0.304CS..EExtended strand (participates in β ladder)trans-82.3135.8171.8-161.30000111.3S414 E416 R428 L429 N430S412-S414 VanDerWaalsContact C-N 3.34Å; S412-S414 PolarHBondContact OG-N 2.9Å; S412-S414 PolarHBondContact OG-O 3.44Å; S412-S414 PolarHBondContact OG-OG 3.48Å; S412-E416 WeakPolarHBondContact CB-OE1 3.23Å; S412-E416 PolarHBondContact OG-OE1 3.47Å; S412-R428 PolarHBondContact N-O 2.94Å; S412-L429 CarbonylContact O-C 3.4Å; S412-L429 WeakPolarHBondContact O-CA 3.48Å; S412-N430 PolarHBondContact O-N 3.19Å
413G93.6Very high93.5Very high34 Ų3459.8 Ų59.835%0.35132%0.32SS..SBendtrans-92.78.217100000113.7N430G413-N430 WeakPolarHBondContact CA-O 3.5Å
414S92.8Very high93.1Very high59 Ų5952.7 Ų52.741%0.41330%0.297SS..SBendtrans-132.4143.3-178.450.20000110.6S412 E416S412-S414 VanDerWaalsContact C-N 3.34Å; S412-S414 PolarHBondContact OG-N 2.9Å; S412-S414 PolarHBondContact OG-O 3.44Å; S412-S414 PolarHBondContact OG-OG 3.48Å; S414-E416 PolarHBondContact O-N 3.27Å
415K93.4Very high92.8Very high95 Ų9554.4 Ų54.441%0.41330%0.3SS..  trans-62.4121.3175.2-174.2177.2-172.5167.10109.5L431 Q435 E440K415-L431 HydrophobicContact CB-CD1 4.34Å; K415-L431 HydrophobicContact CB-CD2 4.44Å; K415-Q435 WeakPolarHBondContact CD-O 3.48Å; K415-Q435 WeakPolarHBondContact CE-O 3.38Å; K415-Q435 PolarHBondContact NZ-O 3.35Å; K415-E440 VanDerWaalsContact CE-CD 3.5Å; K415-E440 WeakPolarHBondContact CE-OE1 3.27Å; K415-E440 IonicContact NZ-OE1 3.13Å; K415-E440 PolarHBondContact NZ-OE1 2.98Å; K415-E440 IonicContact NZ-OE2 2.76Å; K415-E440 PolarHBondContact NZ-OE2 2.88Å
416E91.7Very high92.6Very high42 Ų4254.9 Ų54.920%0.19630%0.302CS..  trans-135.3147.3-177.1-76.8-175.8-109.100110.8S412 S414 S420 L421 Y444S412-E416 WeakPolarHBondContact CB-OE1 3.23Å; S412-E416 PolarHBondContact OG-OE1 3.47Å; S414-E416 PolarHBondContact O-N 3.27Å; E416-S420 VanDerWaalsContact OE2-CB 3.29Å; E416-S420 WeakPolarHBondContact OE2-CB 3.48Å; E416-S420 PolarHBondContact OE2-OG 3.42Å; E416-L421 HydrophobicContact CB-CD1 4.34Å; E416-L421 HydrophobicContact CB-CD2 3.79Å; E416-L421 HydrophobicContact CB-CG 3.82Å; E416-L421 HydrophobicContact CG-CD2 4.46Å; E416-Y444 PolarHBondContact O-OH 2.95Å
417A91.8Very high92.5Very high64 Ų6456.6 Ų56.653%0.52930%0.302SS..  trans-65.2145.1170.700000110.9T419 S420 L421A417-T419 PolarHBondContact O-N 2.8Å; A417-S420 WeakPolarHBondContact O-CA 3.04Å; A417-S420 VanDerWaalsContact O-CB 3.3Å; A417-S420 WeakPolarHBondContact O-CB 3.12Å; A417-S420 PolarHBondContact O-N 3.38Å; A417-L421 PolarHBondContact O-N 2.96Å
418V91.3Very high92.5Very high28 Ų2856.5 Ų56.517%0.1729%0.292CS..Hα-helixtrans-49.6-36.8179.11780000112.9S420 L421 R422 Y444 W447 L449V418-S420 VanDerWaalsContact C-N 3.34Å; V418-S420 PolarHBondContact O-N 3.44Å; V418-L421 PolarHBondContact O-N 2.97Å; V418-R422 WeakPolarHBondContact O-CB 3.18Å; V418-R422 PolarHBondContact O-N 2.68Å; V418-Y444 HydrophobicContact CG2-CD1 4.02Å; V418-Y444 HydrophobicContact CG2-CE1 4.16Å; V418-W447 HydrophobicContact CG1-CB 3.98Å; V418-W447 HydrophobicContact CG1-CD2 3.54Å; V418-W447 HydrophobicContact CG1-CE3 4.05Å; V418-W447 HydrophobicContact CG1-CG 3.49Å; V418-W447 VanDerWaalsContact CG1-CG 3.49Å; V418-L449 HydrophobicContact CG1-CD1 4.28Å; V418-L449 HydrophobicContact CG2-CD1 4.27Å
419T90.9Very high92.5Very high94 Ų9456.2 Ų56.258%0.57729%0.291SS*.Hα-helixtrans-70.1-25.317861.50000113.8A417 R423A417-T419 PolarHBondContact O-N 2.8Å; T419-R423 WeakPolarHBondContact O-CG 3.43Å; T419-R423 PolarHBondContact O-NE 3.44Å
420S91.2Very high92.6Very high39 Ų3954.7 Ų54.727%0.27328%0.284SS..Hα-helixtrans-73.9-52.7170.4-169.50000110.2E416 A417 V418 R422 R423 G424E416-S420 VanDerWaalsContact OE2-CB 3.29Å; E416-S420 WeakPolarHBondContact OE2-CB 3.48Å; E416-S420 PolarHBondContact OE2-OG 3.42Å; A417-S420 WeakPolarHBondContact O-CA 3.04Å; A417-S420 VanDerWaalsContact O-CB 3.3Å; A417-S420 WeakPolarHBondContact O-CB 3.12Å; A417-S420 PolarHBondContact O-N 3.38Å; V418-S420 VanDerWaalsContact C-N 3.34Å; V418-S420 PolarHBondContact O-N 3.44Å; S420-R422 VanDerWaalsContact C-N 3.32Å; S420-R422 PolarHBondContact O-N 3.14Å; S420-R423 WeakPolarHBondContact O-CA 3.37Å; S420-R423 WeakPolarHBondContact O-CB 3.33Å; S420-R423 PolarHBondContact O-N 3.18Å; S420-G424 PolarHBondContact O-N 3.46Å
421L93.2Very high92.7Very high0 Ų054.2 Ų54.20%028%0.282CS..Hα-helixtrans-54.9-46.2180-62.8166.1000111.8E416 A417 V418 R423 G424 H425 I426 L429 Y444 L449E416-L421 HydrophobicContact CB-CD1 4.34Å; E416-L421 HydrophobicContact CB-CD2 3.79Å; E416-L421 HydrophobicContact CB-CG 3.82Å; E416-L421 HydrophobicContact CG-CD2 4.46Å; A417-L421 PolarHBondContact O-N 2.96Å; V418-L421 PolarHBondContact O-N 2.97Å; L421-R423 PolarHBondContact O-N 3.22Å; L421-G424 CarbonylContact O-C 3.47Å; L421-G424 PolarHBondContact O-N 2.89Å; L421-H425 PolarHBondContact O-N 2.93Å; L421-I426 HydrophobicContact CB-CB 4.34Å; L421-I426 HydrophobicContact CD2-CB 3.93Å; L421-I426 HydrophobicContact CD2-CD1 4.2Å; L421-I426 HydrophobicContact CD2-CG2 3.66Å; L421-I426 PolarHBondContact O-N 2.75Å; L421-L429 HydrophobicContact CD1-CD1 4.02Å; L421-L429 HydrophobicContact CD1-CD2 3.92Å; L421-L429 HydrophobicContact CD1-CG 4.24Å; L421-L429 HydrophobicContact CD2-CD2 4.36Å; L421-L429 HydrophobicContact CD2-CG 4.39Å; L421-Y444 HydrophobicContact CD1-CD1 4.3Å; L421-Y444 HydrophobicContact CD1-CE1 3.79Å; L421-L449 HydrophobicContact CD1-CD1 3.83Å
422R90.3Very high92.7Very high179 Ų17954.6 Ų54.668%0.67528%0.283SS*.Hα-helixtrans-61.2-41.7176.2-173.3177.2177.2-170-0.4112.6V418 S420 H425V418-R422 WeakPolarHBondContact O-CB 3.18Å; V418-R422 PolarHBondContact O-N 2.68Å; S420-R422 VanDerWaalsContact C-N 3.32Å; S420-R422 PolarHBondContact O-N 3.14Å; R422-H425 PolarHBondContact O-N 3.29Å
423R88.1Confident92.6Very high185 Ų18554.8 Ų54.870%0.69828%0.284SS*.Hα-helixtrans-64.2-43.1174.4-76.7179.1-71.3159.6-1.5111.1T419 S420 L421 H425T419-R423 WeakPolarHBondContact O-CG 3.43Å; T419-R423 PolarHBondContact O-NE 3.44Å; S420-R423 WeakPolarHBondContact O-CA 3.37Å; S420-R423 WeakPolarHBondContact O-CB 3.33Å; S420-R423 PolarHBondContact O-N 3.18Å; L421-R423 PolarHBondContact O-N 3.22Å; R423-H425 PolarHBondContact O-N 2.87Å; R423-H425 PolarHBondContact O-ND1 3.37Å
424G85.3Confident92.6Very high26 Ų2653.9 Ų53.927%0.26827%0.271SS..Hα-helixtrans-64.2-18.9173.500000114.7R402 S420 L421 I426R402-G424 PolarHBondContact NH1-O 2.97Å; R402-G424 VanDerWaalsContact NH1-O 3.14Å; S420-G424 PolarHBondContact O-N 3.46Å; L421-G424 CarbonylContact O-C 3.47Å; L421-G424 PolarHBondContact O-N 2.89Å; G424-I426 VanDerWaalsContact C-N 3.29Å
425H89.4Confident92.6Very high108 Ų10854.2 Ų54.250%0.527%0.267SS..THydrogen-bonded Turntrans56.842.4-164.6-51.548.8000112.1R402 L421 R422 R423R402-H425 VanDerWaalsContact NH1-CB 3.33Å; R402-H425 PolarHBondContact NH1-ND1 3.13Å; R402-H425 VanDerWaalsContact NH1-ND1 3.11Å; R402-H425 PolarHBondContact NH2-CD2 2.83Å; R402-H425 PolarHBondContact NH2-NE2 3.07Å; L421-H425 PolarHBondContact O-N 2.93Å; R422-H425 PolarHBondContact O-N 3.29Å; R423-H425 PolarHBondContact O-N 2.87Å; R423-H425 PolarHBondContact O-ND1 3.37Å
426I93.4Very high92.5Very high10 Ų1050.5 Ų50.55%0.05125%0.252CS..  trans-90.6128.2175.7-63.2171.5000107.4Q410 L421 G424 R428 L449Q410-I426 HydrophobicContact CB-CG1 4.36Å; Q410-I426 WeakPolarHBondContact O-CG2 3.29Å; L421-I426 HydrophobicContact CB-CB 4.34Å; L421-I426 HydrophobicContact CD2-CB 3.93Å; L421-I426 HydrophobicContact CD2-CD1 4.2Å; L421-I426 HydrophobicContact CD2-CG2 3.66Å; L421-I426 PolarHBondContact O-N 2.75Å; G424-I426 VanDerWaalsContact C-N 3.29Å; I426-R428 WeakPolarHBondContact CG2-O 3.33Å; I426-L449 WeakPolarHBondContact O-CD2 3.19Å
427Q91.6Very high92.5Very high135 Ų13551.1 Ų51.163%0.63126%0.261SS*.  trans-108.3-12.7-178.4-66.3178.2-2.500112.6Q410 L449 S450Q410-Q427 PolarHBondContact O-N 2.96Å; Q427-L449 WeakPolarHBondContact O-CA 3.27Å; Q427-S450 PolarHBondContact O-N 3.48Å
428R95.6Very high92.3Very high29 Ų2951 Ų5111%0.10925%0.246CC..EExtended strand (participates in β ladder)trans-129.3151.5-177.6-69.7-168.7176.7-106.410.2112.7Y257 M391 Q409 Q410 T411 S412 I426 S450Y257-R428 PolarHBondContact OH-NH2 3.12Å; M391-R428 VanDerWaalsContact SD-CD 3.58Å; Q409-R428 VanDerWaalsContact OE1-CZ 3.28Å; Q410-R428 PolarHBondContact O-N 2.94Å; T411-R428 CarbonylContact C-O 3.57Å; T411-R428 VanDerWaalsContact CA-O 3.32Å; T411-R428 WeakPolarHBondContact CA-O 3.35Å; T411-R428 HydrophobicContact CG2-CB 3.84Å; T411-R428 WeakPolarHBondContact OG1-CB 3.29Å; S412-R428 PolarHBondContact N-O 2.94Å; I426-R428 WeakPolarHBondContact CG2-O 3.33Å; R428-S450 CarbonylContact C-O 3.48Å; R428-S450 WeakPolarHBondContact CA-O 3.45Å; R428-S450 PolarHBondContact NH1-OG 2.92Å; R428-S450 VanDerWaalsContact NH1-OG 3.16Å
429L97.3Very high92.2Very high1 Ų154.6 Ų54.61%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-122.8146.2166.9-58.294.3000109.3S412 L421 L431 Y444 L449 S450 V451 N452S412-L429 CarbonylContact O-C 3.4Å; S412-L429 WeakPolarHBondContact O-CA 3.48Å; L421-L429 HydrophobicContact CD1-CD1 4.02Å; L421-L429 HydrophobicContact CD1-CD2 3.92Å; L421-L429 HydrophobicContact CD1-CG 4.24Å; L421-L429 HydrophobicContact CD2-CD2 4.36Å; L421-L429 HydrophobicContact CD2-CG 4.39Å; L429-L431 HydrophobicContact CB-CD1 4.11Å; L429-L431 HydrophobicContact CB-CG 4.05Å; L429-L431 HydrophobicContact CD2-CD1 3.8Å; L429-L431 HydrophobicContact CD2-CG 4.45Å; L429-Y444 HydrophobicContact CD1-CD1 4.12Å; L429-Y444 HydrophobicContact CD1-CE1 4.29Å; L429-Y444 HydrophobicContact CD1-CG 4.33Å; L429-Y444 HydrophobicContact CD2-CE1 3.99Å; L429-Y444 HydrophobicContact CD2-CE2 4.22Å; L429-L449 HydrophobicContact CD1-CB 4.17Å; L429-S450 PolarHBondContact N-O 3.4Å; L429-V451 HydrophobicContact CD1-CG2 4.1Å; L429-N452 PolarHBondContact O-N 2.79Å
430N97.6Very high92.3Very high9 Ų952.7 Ų52.75%0.04825%0.246CC..EExtended strand (participates in β ladder)trans-129.4102.7170.2174.579000107.4L356 L393 T411 S412 G413 N452 Y454L356-N430 HydrophobicContact CD1-CB 4.48Å; L356-N430 WeakPolarHBondContact CD2-OD1 3.43Å; L393-N430 HydrophobicContact CD1-CB 3.78Å; T411-N430 HydrophobicContact CG2-CB 3.78Å; S412-N430 PolarHBondContact O-N 3.19Å; G413-N430 WeakPolarHBondContact CA-O 3.5Å; N430-N452 WeakPolarHBondContact CA-O 3.39Å; N430-N452 HydrophobicContact CB-CB 4.48Å; N430-N452 PolarHBondContact OD1-ND2 3.33Å; N430-Y454 VanDerWaalsContact ND2-CD1 3.32Å; N430-Y454 WeakPolarHBondContact ND2-CD1 3.32Å; N430-Y454 WeakPolarHBondContact ND2-CE1 3.35Å
431L96.9Very high92.4Very high0 Ų051.5 Ų51.50%024%0.236CC..EExtended strand (participates in β ladder)trans-127.3155.9-168-58.2178.8000111.3K415 L429 V436 N452 L453 Y454K415-L431 HydrophobicContact CB-CD1 4.34Å; K415-L431 HydrophobicContact CB-CD2 4.44Å; L429-L431 HydrophobicContact CB-CD1 4.11Å; L429-L431 HydrophobicContact CB-CG 4.05Å; L429-L431 HydrophobicContact CD2-CD1 3.8Å; L429-L431 HydrophobicContact CD2-CG 4.45Å; L431-V436 HydrophobicContact CB-CG2 3.94Å; L431-V436 HydrophobicContact CD1-CG2 3.45Å; L431-V436 VanDerWaalsContact CD1-CG2 3.45Å; L431-V436 HydrophobicContact CG-CG2 4.32Å; L431-N452 PolarHBondContact N-O 3.33Å; L431-L453 HydrophobicContact CB-CD2 4.26Å; L431-L453 WeakPolarHBondContact O-CA 3.25Å; L431-Y454 VanDerWaalsContact C-CD1 3.43Å; L431-Y454 WeakPolarHBondContact O-CD1 3.4Å; L431-Y454 WeakPolarHBondContact O-CE1 3.21Å; L431-Y454 PolarHBondContact O-N 2.87Å
432R95.1Very high92.3Very high10 Ų1058 Ų584%0.03826%0.261CS..EExtended strand (participates in β ladder)trans-65.4140.7170.6-162.2172.9-173.5-89.4-17.7108.7D68 E71 E149 T434 Q435 Y454D68-R432 IonicContact OD1-NH2 3.77Å; D68-R432 PolarHBondContact OD1-NH2 3.48Å; E71-R432 IonicContact OE1-NE 3.21Å; E71-R432 IonicContact OE2-CZ 3.23Å; E71-R432 IonicContact OE2-NE 2.71Å; E71-R432 PolarHBondContact OE2-NE 3.33Å; E71-R432 VanDerWaalsContact OE2-NE 3.13Å; E71-R432 IonicContact OE2-NH2 3.65Å; E71-R432 PolarHBondContact OE2-NH2 3.47Å; E149-R432 VanDerWaalsContact CD-NH2 3.26Å; E149-R432 IonicContact OE1-CZ 3.59Å; E149-R432 IonicContact OE1-NH1 3.23Å; E149-R432 PolarHBondContact OE1-NH1 2.96Å; E149-R432 IonicContact OE1-NH2 3.5Å; E149-R432 PolarHBondContact OE1-NH2 3.01Å; E149-R432 IonicContact OE2-CZ 2.9Å; E149-R432 VanDerWaalsContact OE2-CZ 3.26Å; E149-R432 IonicContact OE2-NH1 3.84Å; E149-R432 PolarHBondContact OE2-NH1 3.5Å; E149-R432 IonicContact OE2-NH2 2.68Å; E149-R432 PolarHBondContact OE2-NH2 2.87Å; R432-T434 PolarHBondContact NH1-OG1 3.49Å; R432-T434 VanDerWaalsContact NH1-OG1 3.1Å; R432-T434 PolarHBondContact O-N 3.03Å; R432-T434 VanDerWaalsContact O-N 3.15Å; R432-Q435 HydrophobicContact CB-CG 4.04Å; R432-Q435 WeakPolarHBondContact O-CB 3.48Å; R432-Q435 PolarHBondContact O-N 3.4Å; R432-Y454 CarbonylContact C-O 3.57Å; R432-Y454 VanDerWaalsContact CA-O 3.25Å; R432-Y454 WeakPolarHBondContact CA-O 3.31Å
433Y94.9Very high92.5Very high3 Ų352.8 Ų52.81%0.01225%0.246CC..G310 helixtrans-61-27.6-172.674.8-92.1000113.6D68 V152 I155 Q435 Y454 L461D68-Y433 WeakPolarHBondContact OD1-CE1 3.33Å; D68-Y433 PolarHBondContact OD2-OH 2.86Å; V152-Y433 HydrophobicContact CG2-CE2 4.17Å; V152-Y433 WeakPolarHBondContact CG2-OH 3.19Å; I155-Y433 HydrophobicContact CD1-CD2 3.98Å; I155-Y433 HydrophobicContact CD1-CE2 4.12Å; Y433-Q435 VanDerWaalsContact C-N 3.3Å; Y433-Q435 PolarHBondContact O-N 3.31Å; Y433-Y454 PolarHBondContact N-O 2.92Å; Y433-L461 HydrophobicContact CD1-CD2 4.13Å; Y433-L461 HydrophobicContact CD2-CD1 3.89Å; Y433-L461 HydrophobicContact CD2-CD2 3.77Å; Y433-L461 HydrophobicContact CD2-CG 4.42Å; Y433-L461 HydrophobicContact CE1-CD2 4.01Å; Y433-L461 HydrophobicContact CE2-CD1 3.98Å; Y433-L461 HydrophobicContact CE2-CD2 3.6Å; Y433-L461 HydrophobicContact CE2-CG 4.46Å; Y433-L461 HydrophobicContact CG-CD2 4.01Å
434T92.8Very high92.8Very high15 Ų1544.4 Ų44.49%0.09222%0.215CC..G310 helixtrans-70.4-17.5173.945.90000114.4E151 V152 I155 R432E151-T434 HydrophobicContact CB-CG2 4Å; V152-T434 HydrophobicContact CG2-CG2 3.8Å; I155-T434 HydrophobicContact CD1-CG2 4.19Å; R432-T434 PolarHBondContact NH1-OG1 3.49Å; R432-T434 VanDerWaalsContact NH1-OG1 3.1Å; R432-T434 PolarHBondContact O-N 3.03Å; R432-T434 VanDerWaalsContact O-N 3.15Å
435Q92.4Very high93.2Very high67 Ų6746.1 Ų46.131%0.31323%0.226SC..G310 helixtrans-85-9-173.5-67.1173.7-9.400114.3K415 R432 Y433K415-Q435 WeakPolarHBondContact CD-O 3.48Å; K415-Q435 WeakPolarHBondContact CE-O 3.38Å; K415-Q435 PolarHBondContact NZ-O 3.35Å; R432-Q435 HydrophobicContact CB-CG 4.04Å; R432-Q435 WeakPolarHBondContact O-CB 3.48Å; R432-Q435 PolarHBondContact O-N 3.4Å; Y433-Q435 VanDerWaalsContact C-N 3.3Å; Y433-Q435 PolarHBondContact O-N 3.31Å
436V91.7Very high93.4Very high16 Ų1645 Ų4510%0.09723%0.23CC..  trans-128.7120.7-168.4-163.40000111.8L431 E440 L441 Y444 L453L431-V436 HydrophobicContact CB-CG2 3.94Å; L431-V436 HydrophobicContact CD1-CG2 3.45Å; L431-V436 VanDerWaalsContact CD1-CG2 3.45Å; L431-V436 HydrophobicContact CG-CG2 4.32Å; V436-E440 HydrophobicContact CG1-CB 3.94Å; V436-L441 HydrophobicContact CG1-CD2 3.83Å; V436-L441 HydrophobicContact CG1-CG 3.83Å; V436-Y444 HydrophobicContact CG1-CD2 4.39Å; V436-Y444 HydrophobicContact CG1-CE2 4.11Å; V436-L453 HydrophobicContact CB-CD2 4.42Å; V436-L453 HydrophobicContact CG2-CD2 3.9Å
437S90.9Very high93.4Very high55 Ų5551.3 Ų51.339%0.38525%0.254SS..  trans-79160174.967.20000112.8Q439 E440 L441S437-Q439 PolarHBondContact O-N 3.34Å; S437-E440 WeakPolarHBondContact CB-OE2 3.23Å; S437-E440 PolarHBondContact N-OE2 3.31Å; S437-E440 PolarHBondContact O-N 2.88Å; S437-E440 VanDerWaalsContact O-N 3.12Å; S437-E440 VanDerWaalsContact OG-CD 3.27Å; S437-E440 VanDerWaalsContact OG-CG 3.26Å; S437-E440 WeakPolarHBondContact OG-CG 3.16Å; S437-E440 PolarHBondContact OG-N 3.07Å; S437-E440 PolarHBondContact OG-OE2 3.03Å; S437-L441 PolarHBondContact O-N 3.02Å
438R88.3Confident93.5Very high61 Ų6152.1 Ų52.123%0.2326%0.263CS..Hα-helixtrans-56.4-33.6174.4-173-176.8-177.1-173.96.1113.1S215 P216 R442S215-R438 PolarHBondContact O-NH1 2.84Å; P216-R438 VanDerWaalsContact CA-CZ 3.5Å; R438-R442 WeakPolarHBondContact O-CG 3.31Å; R438-R442 PolarHBondContact O-N 2.99Å
439Q89.8Confident93.5Very high105 Ų10551.8 Ų51.849%0.49126%0.263SS..Hα-helixtrans-69.8-44.9177.1-175.856.34100110.8S437 L441 R442 D443S437-Q439 PolarHBondContact O-N 3.34Å; Q439-L441 VanDerWaalsContact C-N 3.32Å; Q439-L441 PolarHBondContact O-N 3.47Å; Q439-R442 WeakPolarHBondContact O-CB 3.28Å; Q439-R442 PolarHBondContact O-N 2.83Å; Q439-R442 VanDerWaalsContact O-N 3.1Å; Q439-D443 PolarHBondContact NE2-OD1 3.4Å; Q439-D443 VanDerWaalsContact O-CG 3.25Å; Q439-D443 PolarHBondContact O-N 2.93Å
440E92.8Very high93.4Very high53 Ų5353.1 Ų53.125%0.24827%0.272CS..Hα-helixtrans-65.5-34.7178.6-67.9165.312900112.2K415 V436 S437 R442 D443 Y444K415-E440 VanDerWaalsContact CE-CD 3.5Å; K415-E440 WeakPolarHBondContact CE-OE1 3.27Å; K415-E440 IonicContact NZ-OE1 3.13Å; K415-E440 PolarHBondContact NZ-OE1 2.98Å; K415-E440 IonicContact NZ-OE2 2.76Å; K415-E440 PolarHBondContact NZ-OE2 2.88Å; V436-E440 HydrophobicContact CG1-CB 3.94Å; S437-E440 WeakPolarHBondContact CB-OE2 3.23Å; S437-E440 PolarHBondContact N-OE2 3.31Å; S437-E440 PolarHBondContact O-N 2.88Å; S437-E440 VanDerWaalsContact O-N 3.12Å; S437-E440 VanDerWaalsContact OG-CD 3.27Å; S437-E440 VanDerWaalsContact OG-CG 3.26Å; S437-E440 WeakPolarHBondContact OG-CG 3.16Å; S437-E440 PolarHBondContact OG-N 3.07Å; S437-E440 PolarHBondContact OG-OE2 3.03Å; E440-R442 VanDerWaalsContact C-N 3.34Å; E440-R442 PolarHBondContact O-N 2.94Å; E440-D443 PolarHBondContact O-N 3.32Å; E440-Y444 HydrophobicContact CB-CD2 4.48Å; E440-Y444 HydrophobicContact CB-CE2 4.19Å; E440-Y444 WeakPolarHBondContact O-CB 3.37Å; E440-Y444 WeakPolarHBondContact O-CD2 3.32Å; E440-Y444 VanDerWaalsContact O-CG 3.32Å; E440-Y444 PolarHBondContact O-N 2.77Å
441L93.8Very high93.4Very high14 Ų1452.8 Ų52.87%0.07327%0.271CS..Hα-helixtrans-59.1-43.7170.6-73173.9000112.1V436 S437 Q439 A445 V451 A468 V470V436-L441 HydrophobicContact CG1-CD2 3.83Å; V436-L441 HydrophobicContact CG1-CG 3.83Å; S437-L441 PolarHBondContact O-N 3.02Å; Q439-L441 VanDerWaalsContact C-N 3.32Å; Q439-L441 PolarHBondContact O-N 3.47Å; L441-A445 VanDerWaalsContact O-CB 3.31Å; L441-A445 WeakPolarHBondContact O-CB 3.3Å; L441-A445 PolarHBondContact O-N 3.46Å; L441-V451 HydrophobicContact CD2-CB 4.11Å; L441-V451 HydrophobicContact CD2-CG1 4.03Å; L441-V451 HydrophobicContact CD2-CG2 4.2Å; L441-A468 HydrophobicContact CD1-CB 4.05Å; L441-V470 HydrophobicContact CD1-CG2 3.67Å; L441-V470 HydrophobicContact CD2-CG2 4.19Å
442R91.5Very high93.4Very high138 Ų13852.9 Ų52.952%0.52127%0.271SS..Hα-helixtrans-65.3-41.7175-71.9173.3167.4-179.2-5.4111.7R438 Q439 E440 A445 S446R438-R442 WeakPolarHBondContact O-CG 3.31Å; R438-R442 PolarHBondContact O-N 2.99Å; Q439-R442 WeakPolarHBondContact O-CB 3.28Å; Q439-R442 PolarHBondContact O-N 2.83Å; Q439-R442 VanDerWaalsContact O-N 3.1Å; E440-R442 VanDerWaalsContact C-N 3.34Å; E440-R442 PolarHBondContact O-N 2.94Å; R442-A445 PolarHBondContact O-N 2.95Å; R442-S446 WeakPolarHBondContact O-CB 3.44Å; R442-S446 PolarHBondContact O-N 2.93Å
443D93.3Very high93.6Very high68 Ų6852.5 Ų52.536%0.36427%0.27SS..Hα-helixtrans-62.5-50.5177.5-63.4-16.1000110Q439 E440 A445 S446 W447Q439-D443 PolarHBondContact NE2-OD1 3.4Å; Q439-D443 VanDerWaalsContact O-CG 3.25Å; Q439-D443 PolarHBondContact O-N 2.93Å; E440-D443 PolarHBondContact O-N 3.32Å; D443-A445 PolarHBondContact O-N 3.23Å; D443-S446 PolarHBondContact O-N 2.94Å; D443-S446 PolarHBondContact O-OG 2.91Å; D443-W447 VanDerWaalsContact O-CD1 3.31Å; D443-W447 PolarHBondContact O-N 3.48Å
444Y95.3Very high93.6Very high10 Ų1055.7 Ų55.74%0.03928%0.282CS..Hα-helixtrans-57.3-45.5175.1-68.8-47.7000112.4E416 V418 L421 L429 V436 E440 S446 W447 L449 V451E416-Y444 PolarHBondContact O-OH 2.95Å; V418-Y444 HydrophobicContact CG2-CD1 4.02Å; V418-Y444 HydrophobicContact CG2-CE1 4.16Å; L421-Y444 HydrophobicContact CD1-CD1 4.3Å; L421-Y444 HydrophobicContact CD1-CE1 3.79Å; L429-Y444 HydrophobicContact CD1-CD1 4.12Å; L429-Y444 HydrophobicContact CD1-CE1 4.29Å; L429-Y444 HydrophobicContact CD1-CG 4.33Å; L429-Y444 HydrophobicContact CD2-CE1 3.99Å; L429-Y444 HydrophobicContact CD2-CE2 4.22Å; V436-Y444 HydrophobicContact CG1-CD2 4.39Å; V436-Y444 HydrophobicContact CG1-CE2 4.11Å; E440-Y444 HydrophobicContact CB-CD2 4.48Å; E440-Y444 HydrophobicContact CB-CE2 4.19Å; E440-Y444 WeakPolarHBondContact O-CB 3.37Å; E440-Y444 WeakPolarHBondContact O-CD2 3.32Å; E440-Y444 VanDerWaalsContact O-CG 3.32Å; E440-Y444 PolarHBondContact O-N 2.77Å; Y444-S446 VanDerWaalsContact C-N 3.34Å; Y444-S446 PolarHBondContact O-N 3.44Å; Y444-W447 PolarHBondContact O-N 3.07Å; Y444-W447 VanDerWaalsContact O-N 3.14Å; Y444-L449 HydrophobicContact CD1-CD1 3.81Å; Y444-L449 WeakPolarHBondContact O-CB 3.38Å; Y444-L449 PolarHBondContact O-N 3.35Å; Y444-V451 HydrophobicContact CD2-CG2 3.81Å; Y444-V451 HydrophobicContact CG-CG2 4.1Å
445A93.1Very high93.8Very high61 Ų6155.7 Ų55.750%0.50428%0.282SS..Hα-helixtrans-60.6-39.8177.100000112.6L441 R442 D443 W447 N448L441-A445 VanDerWaalsContact O-CB 3.31Å; L441-A445 WeakPolarHBondContact O-CB 3.3Å; L441-A445 PolarHBondContact O-N 3.46Å; R442-A445 PolarHBondContact O-N 2.95Å; D443-A445 PolarHBondContact O-N 3.23Å; A445-W447 PolarHBondContact O-N 2.89Å; A445-W447 VanDerWaalsContact O-N 3.15Å; A445-N448 PolarHBondContact O-N 3.49Å
446S93.9Very high94Very high84 Ų8452.5 Ų52.559%0.58727%0.268SS*.Hα-helixtrans-63.1-19.4177.875.90000114.1R442 D443 Y444R442-S446 WeakPolarHBondContact O-CB 3.44Å; R442-S446 PolarHBondContact O-N 2.93Å; D443-S446 PolarHBondContact O-N 2.94Å; D443-S446 PolarHBondContact O-OG 2.91Å; Y444-S446 VanDerWaalsContact C-N 3.34Å; Y444-S446 PolarHBondContact O-N 3.44Å
447W92.2Very high94.3Very high143 Ų14352.4 Ų52.454%0.54227%0.266SS..THydrogen-bonded Turntrans-102.114.3175.1-71.987.7000113.4V418 D443 Y444 A445 L449V418-W447 HydrophobicContact CG1-CB 3.98Å; V418-W447 HydrophobicContact CG1-CD2 3.54Å; V418-W447 HydrophobicContact CG1-CE3 4.05Å; V418-W447 HydrophobicContact CG1-CG 3.49Å; V418-W447 VanDerWaalsContact CG1-CG 3.49Å; D443-W447 VanDerWaalsContact O-CD1 3.31Å; D443-W447 PolarHBondContact O-N 3.48Å; Y444-W447 PolarHBondContact O-N 3.07Å; Y444-W447 VanDerWaalsContact O-N 3.14Å; A445-W447 PolarHBondContact O-N 2.89Å; A445-W447 VanDerWaalsContact O-N 3.15Å; W447-L449 HydrophobicContact CB-CD1 4.19Å; W447-L449 HydrophobicContact CB-CG 4.22Å; W447-L449 PolarHBondContact O-N 2.88Å
448N94.1Very high94.5Very high153 Ų15350 Ų5082%0.81825%0.25SS*.THydrogen-bonded Turntrans56.231.5-175.2-63.1-33.1000113.8A445A445-N448 PolarHBondContact O-N 3.49Å
449L95.1Very high94.9Very high21 Ų2149 Ų4911%0.1125%0.251CS..PPolyproline II helixtrans-90.7128.7174-61.2169.8000109.6V418 L421 I426 Q427 L429 Y444 W447V418-L449 HydrophobicContact CG1-CD1 4.28Å; V418-L449 HydrophobicContact CG2-CD1 4.27Å; L421-L449 HydrophobicContact CD1-CD1 3.83Å; I426-L449 WeakPolarHBondContact O-CD2 3.19Å; Q427-L449 WeakPolarHBondContact O-CA 3.27Å; L429-L449 HydrophobicContact CD1-CB 4.17Å; Y444-L449 HydrophobicContact CD1-CD1 3.81Å; Y444-L449 WeakPolarHBondContact O-CB 3.38Å; Y444-L449 PolarHBondContact O-N 3.35Å; W447-L449 HydrophobicContact CB-CD1 4.19Å; W447-L449 HydrophobicContact CB-CG 4.22Å; W447-L449 PolarHBondContact O-N 2.88Å
450S95.5Very high95.1Very high29 Ų2946.8 Ų46.820%0.20324%0.239CC..EExtended strand (participates in β ladder)trans-93123.6178172.70000110.6Q427 R428 L429Q427-S450 PolarHBondContact O-N 3.48Å; R428-S450 CarbonylContact C-O 3.48Å; R428-S450 WeakPolarHBondContact CA-O 3.45Å; R428-S450 PolarHBondContact NH1-OG 2.92Å; R428-S450 VanDerWaalsContact NH1-OG 3.16Å; L429-S450 PolarHBondContact N-O 3.4Å
451V97.6Very high95.3Very high3 Ų344.3 Ų44.32%0.01823%0.227CC..EExtended strand (participates in β ladder)trans-101.2130.9178.3-1750000109.8L429 L441 Y444 L453 P471L429-V451 HydrophobicContact CD1-CG2 4.1Å; L441-V451 HydrophobicContact CD2-CB 4.11Å; L441-V451 HydrophobicContact CD2-CG1 4.03Å; L441-V451 HydrophobicContact CD2-CG2 4.2Å; Y444-V451 HydrophobicContact CD2-CG2 3.81Å; Y444-V451 HydrophobicContact CG-CG2 4.1Å; V451-L453 HydrophobicContact CG1-CD2 3.61Å; V451-L453 HydrophobicContact CG1-CG 4.12Å; V451-P471 WeakPolarHBondContact O-CD 3.22Å
452N98.3Very high95.4Very high2 Ų243.6 Ų43.61%0.01122%0.223CC..EExtended strand (participates in β ladder)trans-106.2132.1164.7-171.471.9000109.3I231 L429 N430 L431 S472 V473 T474I231-N452 WeakPolarHBondContact CD1-OD1 3.49Å; L429-N452 PolarHBondContact O-N 2.79Å; N430-N452 WeakPolarHBondContact CA-O 3.39Å; N430-N452 HydrophobicContact CB-CB 4.48Å; N430-N452 PolarHBondContact OD1-ND2 3.33Å; L431-N452 PolarHBondContact N-O 3.33Å; N452-S472 WeakPolarHBondContact CA-O 3.47Å; N452-S472 WeakPolarHBondContact CB-OG 3.29Å; N452-S472 VanDerWaalsContact OD1-CB 3.3Å; N452-S472 WeakPolarHBondContact OD1-CB 3.3Å; N452-S472 PolarHBondContact OD1-O 3.18Å; N452-S472 PolarHBondContact OD1-OG 3.43Å; N452-V473 WeakPolarHBondContact OD1-CA 3.33Å; N452-V473 PolarHBondContact OD1-N 2.9Å; N452-T474 PolarHBondContact ND2-OG1 2.86Å
453L98.1Very high95.7Very high1 Ų137.2 Ų37.21%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-111140.8177.1-60.5-178.3000111.7L431 V436 V451 L465 V470 S472 V473 T474L431-L453 HydrophobicContact CB-CD2 4.26Å; L431-L453 WeakPolarHBondContact O-CA 3.25Å; V436-L453 HydrophobicContact CB-CD2 4.42Å; V436-L453 HydrophobicContact CG2-CD2 3.9Å; V451-L453 HydrophobicContact CG1-CD2 3.61Å; V451-L453 HydrophobicContact CG1-CG 4.12Å; L453-L465 HydrophobicContact CB-CD1 4.48Å; L453-L465 HydrophobicContact CD1-CD1 4.11Å; L453-L465 HydrophobicContact CD1-CD2 3.79Å; L453-V470 HydrophobicContact CB-CG1 4.49Å; L453-V470 HydrophobicContact CD1-CG1 4.02Å; L453-V470 HydrophobicContact CD1-CG2 3.74Å; L453-V470 HydrophobicContact CG-CG1 4.04Å; L453-S472 PolarHBondContact N-O 3.42Å; L453-S472 VanDerWaalsContact N-O 3.15Å; L453-V473 HydrophobicContact CB-CG1 4.44Å; L453-V473 CarbonylContact O-C 3.56Å; L453-V473 WeakPolarHBondContact O-CA 3.28Å; L453-V473 WeakPolarHBondContact O-CB 3.45Å; L453-T474 PolarHBondContact O-N 2.82Å
454Y96.4Very high95.9Very high70 Ų7034.1 Ų34.128%0.27518%0.183SC..EExtended strand (participates in β ladder)trans-139.4160.3-179.973.3-91.5000112.5N430 L431 R432 Y433N430-Y454 VanDerWaalsContact ND2-CD1 3.32Å; N430-Y454 WeakPolarHBondContact ND2-CD1 3.32Å; N430-Y454 WeakPolarHBondContact ND2-CE1 3.35Å; L431-Y454 VanDerWaalsContact C-CD1 3.43Å; L431-Y454 WeakPolarHBondContact O-CD1 3.4Å; L431-Y454 WeakPolarHBondContact O-CE1 3.21Å; L431-Y454 PolarHBondContact O-N 2.87Å; R432-Y454 CarbonylContact C-O 3.57Å; R432-Y454 VanDerWaalsContact CA-O 3.25Å; R432-Y454 WeakPolarHBondContact CA-O 3.31Å; Y433-Y454 PolarHBondContact N-O 2.92Å
455T95.8Very high95.9Very high16 Ų1634.3 Ų34.310%0.09819%0.185CC..  cis-96.2125.2-19.1-57.50000108.1N67 H233 T474 D476N67-T455 PolarHBondContact ND2-O 3.1Å; H233-T455 HydrophobicContact CB-CG2 4.33Å; T455-T474 WeakPolarHBondContact CA-O 3.38Å; T455-D476 WeakPolarHBondContact CG2-OD2 3.4Å
456V97.4Very high96.1Very high0 Ų032.2 Ų32.20%016%0.164CC..  trans-108.2110-171.3179.70000108.8L461 F462 L465 V473 T474 S475 L481V456-L461 HydrophobicContact CG1-CB 4.39Å; V456-L461 HydrophobicContact CG1-CD2 4.13Å; V456-L461 HydrophobicContact CG1-CG 4.06Å; V456-L461 HydrophobicContact CG2-CD2 4.32Å; V456-F462 HydrophobicContact CG1-CB 4.15Å; V456-L465 HydrophobicContact CG1-CD1 4.2Å; V456-L465 HydrophobicContact CG2-CD1 3.6Å; V456-V473 HydrophobicContact CB-CB 4.07Å; V456-V473 HydrophobicContact CB-CG1 4.41Å; V456-V473 HydrophobicContact CB-CG2 4.24Å; V456-V473 HydrophobicContact CG2-CB 4.01Å; V456-V473 HydrophobicContact CG2-CG1 4.04Å; V456-T474 PolarHBondContact N-O 2.85Å; V456-S475 WeakPolarHBondContact O-CB 3.44Å; V456-S475 PolarHBondContact O-OG 2.96Å; V456-L481 HydrophobicContact CG1-CD1 4.3Å; V456-L481 VanDerWaalsContact O-CD1 3.23Å; V456-L481 WeakPolarHBondContact O-CD1 3.25Å
457N96.6Very high96.3Very high13 Ų1328.5 Ų28.57%0.0714%0.138CC..  trans-118.5-27.8-174.2-69.8-30.4000113.1N67 M238 S475 D476 N477N67-N457 PolarHBondContact OD1-N 2.83Å; M238-N457 HydrophobicContact CE-CB 4.34Å; N457-S475 PolarHBondContact OD1-OG 3.42Å; N457-D476 PolarHBondContact ND2-OD2 3.32Å; N457-D476 WeakPolarHBondContact OD1-CA 3.38Å; N457-D476 VanDerWaalsContact OD1-CB 3.31Å; N457-D476 WeakPolarHBondContact OD1-CB 3.28Å; N457-D476 PolarHBondContact OD1-N 3.31Å; N457-D476 PolarHBondContact OD1-OD2 3.34Å; N457-N477 HydrophobicContact CB-CB 4.11Å; N457-N477 WeakPolarHBondContact O-CB 3.47Å; N457-N477 PolarHBondContact O-ND2 2.86Å; N457-N477 PolarHBondContact OD1-N 2.99Å; N457-N477 VanDerWaalsContact OD1-N 3.14Å
458A95.6Very high96.4Very high6 Ų622.7 Ų22.75%0.0512%0.12CC..  trans-84.2131.5-178.700000112.7N67 W460 L461 F462N67-A458 HydrophobicContact CB-CB 4.11Å; N67-A458 PolarHBondContact OD1-N 3.05Å; A458-W460 VanDerWaalsContact C-N 3.26Å; A458-W460 HydrophobicContact CB-CG 4.33Å; A458-W460 PolarHBondContact O-N 3.13Å; A458-L461 HydrophobicContact CB-CB 4.24Å; A458-L461 PolarHBondContact O-N 3.42Å; A458-F462 PolarHBondContact O-N 3.44Å
459P95.9Very high96.5Very high39 Ų3917.8 Ų17.825%0.25311%0.106SC..Hα-helixtrans-60.9-28.3177.1-27.336.1000114.9S463 T480 L481 V484 L488P459-S463 WeakPolarHBondContact O-CB 3.48Å; P459-S463 PolarHBondContact O-N 3.35Å; P459-S463 PolarHBondContact O-OG 2.92Å; P459-T480 HydrophobicContact CG-CG2 4.19Å; P459-L481 HydrophobicContact CB-CD2 4.33Å; P459-L481 HydrophobicContact CG-CD2 4.12Å; P459-V484 HydrophobicContact CB-CG2 4.4Å; P459-L488 HydrophobicContact CB-CD1 4.22Å
460W94.8Very high96.6Very high59 Ų5917 Ų1722%0.22310%0.102CC..Hα-helixtrans-68.2-43.7175.172.9-104.8000111.4E64 V152 I155 A458 S463 L464 L488E64-W460 HydrophobicContact CB-CZ2 4.49Å; V152-W460 HydrophobicContact CG1-CH2 4.34Å; I155-W460 HydrophobicContact CG2-CZ3 4.33Å; A458-W460 VanDerWaalsContact C-N 3.26Å; A458-W460 HydrophobicContact CB-CG 4.33Å; A458-W460 PolarHBondContact O-N 3.13Å; W460-S463 WeakPolarHBondContact O-CB 3.47Å; W460-S463 PolarHBondContact O-N 3.19Å; W460-L464 HydrophobicContact CZ3-CD2 4.49Å; W460-L464 PolarHBondContact O-N 2.89Å; W460-L488 HydrophobicContact CB-CD1 4.15Å
461L96.4Very high96.6Very high0 Ų018.4 Ų18.40%011%0.111CC..Hα-helixtrans-67.7-44.6178.4-179.260.9000110.1N67 I155 Y433 V456 A458 S463 L464 L465N67-L461 HydrophobicContact CB-CD2 4.47Å; I155-L461 HydrophobicContact CG2-CD1 3.79Å; Y433-L461 HydrophobicContact CD1-CD2 4.13Å; Y433-L461 HydrophobicContact CD2-CD1 3.89Å; Y433-L461 HydrophobicContact CD2-CD2 3.77Å; Y433-L461 HydrophobicContact CD2-CG 4.42Å; Y433-L461 HydrophobicContact CE1-CD2 4.01Å; Y433-L461 HydrophobicContact CE2-CD1 3.98Å; Y433-L461 HydrophobicContact CE2-CD2 3.6Å; Y433-L461 HydrophobicContact CE2-CG 4.46Å; Y433-L461 HydrophobicContact CG-CD2 4.01Å; V456-L461 HydrophobicContact CG1-CB 4.39Å; V456-L461 HydrophobicContact CG1-CD2 4.13Å; V456-L461 HydrophobicContact CG1-CG 4.06Å; V456-L461 HydrophobicContact CG2-CD2 4.32Å; A458-L461 HydrophobicContact CB-CB 4.24Å; A458-L461 PolarHBondContact O-N 3.42Å; L461-S463 VanDerWaalsContact C-N 3.28Å; L461-S463 PolarHBondContact O-N 2.89Å; L461-L464 WeakPolarHBondContact O-CB 3.49Å; L461-L464 PolarHBondContact O-N 3.46Å; L461-L464 VanDerWaalsContact O-N 3.17Å; L461-L465 HydrophobicContact CD1-CD1 4.23Å; L461-L465 HydrophobicContact CD1-CG 4.17Å; L461-L465 HydrophobicContact CG-CD1 4.09Å; L461-L465 HydrophobicContact CG-CG 4.41Å; L461-L465 VanDerWaalsContact O-CG 3.3Å; L461-L465 WeakPolarHBondContact O-CG 3.25Å; L461-L465 PolarHBondContact O-N 2.92Å
462F97.7Very high96.7Very high0 Ų018.4 Ų18.40%011%0.11CC..Hα-helixtrans-55.3-43.2173.4-177.5-101.2000112.4K227 P228 L230 V456 A458 L465 W466 V473 L481 V484K227-F462 HydrophobicContact CD-CZ 4.4Å; K227-F462 HydrophobicContact CG-CE1 4.31Å; K227-F462 HydrophobicContact CG-CZ 3.92Å; P228-F462 HydrophobicContact CB-CE2 3.94Å; P228-F462 HydrophobicContact CB-CZ 4.26Å; P228-F462 HydrophobicContact CG-CE2 4.1Å; P228-F462 HydrophobicContact CG-CZ 4.17Å; L230-F462 HydrophobicContact CD2-CD2 4.39Å; L230-F462 HydrophobicContact CD2-CE2 3.75Å; L230-F462 HydrophobicContact CD2-CZ 4.43Å; V456-F462 HydrophobicContact CG1-CB 4.15Å; A458-F462 PolarHBondContact O-N 3.44Å; F462-L465 PolarHBondContact O-N 3.49Å; F462-W466 HydrophobicContact CD1-CE3 4.44Å; F462-W466 AromaticContact CE1-CE3 3.77Å; F462-W466 HydrophobicContact CE1-CE3 3.77Å; F462-W466 HydrophobicContact CE1-CZ3 4.2Å; F462-W466 HydrophobicContact CZ-CE3 4.49Å; F462-W466 WeakPolarHBondContact O-CB 3.45Å; F462-W466 PolarHBondContact O-N 3.43Å; F462-V473 HydrophobicContact CD2-CG2 3.85Å; F462-V473 HydrophobicContact CE2-CG2 3.84Å; F462-L481 HydrophobicContact CB-CD1 4.08Å; F462-L481 HydrophobicContact CB-CD2 3.77Å; F462-L481 HydrophobicContact CB-CG 4.49Å; F462-L481 HydrophobicContact CD1-CD2 4.48Å; F462-L481 HydrophobicContact CD2-CB 4.39Å; F462-L481 HydrophobicContact CD2-CD1 3.87Å; F462-L481 HydrophobicContact CG-CB 4.44Å; F462-L481 HydrophobicContact CG-CD1 4.1Å; F462-L481 HydrophobicContact CG-CD2 4.04Å; F462-L481 HydrophobicContact CG-CG 4.43Å; F462-V484 HydrophobicContact CD1-CB 4.37Å; F462-V484 HydrophobicContact CD1-CG1 4.21Å; F462-V484 HydrophobicContact CE1-CB 4.37Å; F462-V484 HydrophobicContact CE1-CG1 4.36Å
463S96.9Very high96.7Very high3 Ų318.3 Ų18.32%0.02111%0.11CC..Hα-helixtrans-62.1-46.2176.5-62.40000112.2P459 W460 L461 L465 W466 C467 P487 L488P459-S463 WeakPolarHBondContact O-CB 3.48Å; P459-S463 PolarHBondContact O-N 3.35Å; P459-S463 PolarHBondContact O-OG 2.92Å; W460-S463 WeakPolarHBondContact O-CB 3.47Å; W460-S463 PolarHBondContact O-N 3.19Å; L461-S463 VanDerWaalsContact C-N 3.28Å; L461-S463 PolarHBondContact O-N 2.89Å; S463-L465 PolarHBondContact O-N 3.21Å; S463-W466 PolarHBondContact O-N 3.31Å; S463-C467 PolarHBondContact O-N 3.49Å; S463-C467 PolarHBondContact O-SG 3.3Å; S463-P487 WeakPolarHBondContact OG-CA 3.27Å; S463-L488 WeakPolarHBondContact OG-CG 3.49Å; S463-L488 PolarHBondContact OG-N 3.45Å
464L96.3Very high96.7Very high4 Ų418.3 Ų18.32%0.02111%0.11CC..Hα-helixtrans-62.1-43.4178.7-165.279.3000111.9I155 Q158 P216 W460 L461 C467 A468I155-L464 HydrophobicContact CG2-CD2 3.48Å; I155-L464 VanDerWaalsContact CG2-CD2 3.48Å; I155-L464 VanDerWaalsContact O-CD2 3.28Å; I155-L464 WeakPolarHBondContact O-CD2 3.45Å; Q158-L464 HydrophobicContact CB-CD1 4.04Å; Q158-L464 HydrophobicContact CB-CD2 4.31Å; P216-L464 HydrophobicContact CG-CD1 3.45Å; P216-L464 VanDerWaalsContact CG-CD1 3.45Å; P216-L464 HydrophobicContact CG-CG 3.7Å; W460-L464 HydrophobicContact CZ3-CD2 4.49Å; W460-L464 PolarHBondContact O-N 2.89Å; L461-L464 WeakPolarHBondContact O-CB 3.49Å; L461-L464 PolarHBondContact O-N 3.46Å; L461-L464 VanDerWaalsContact O-N 3.17Å; L464-C467 PolarHBondContact O-N 3Å; L464-A468 WeakPolarHBondContact O-CB 3.25Å; L464-A468 PolarHBondContact O-N 3.41Å
465L97.1Very high96.8Very high13 Ų1315 Ų157%0.06810%0.097CC..Hα-helixtrans-70.2-33.3178.2-64.1-179.6000112.4L453 V456 L461 F462 S463 A468 G469 V470 V473L453-L465 HydrophobicContact CB-CD1 4.48Å; L453-L465 HydrophobicContact CD1-CD1 4.11Å; L453-L465 HydrophobicContact CD1-CD2 3.79Å; V456-L465 HydrophobicContact CG1-CD1 4.2Å; V456-L465 HydrophobicContact CG2-CD1 3.6Å; L461-L465 HydrophobicContact CD1-CD1 4.23Å; L461-L465 HydrophobicContact CD1-CG 4.17Å; L461-L465 HydrophobicContact CG-CD1 4.09Å; L461-L465 HydrophobicContact CG-CG 4.41Å; L461-L465 VanDerWaalsContact O-CG 3.3Å; L461-L465 WeakPolarHBondContact O-CG 3.25Å; L461-L465 PolarHBondContact O-N 2.92Å; F462-L465 PolarHBondContact O-N 3.49Å; S463-L465 PolarHBondContact O-N 3.21Å; L465-A468 PolarHBondContact O-N 2.89Å; L465-G469 PolarHBondContact O-N 2.86Å; L465-V470 HydrophobicContact CB-CB 4.21Å; L465-V470 HydrophobicContact CB-CG2 3.95Å; L465-V470 HydrophobicContact CD2-CG2 4.16Å; L465-V470 WeakPolarHBondContact O-CB 3.32Å; L465-V470 WeakPolarHBondContact O-CG2 3.47Å; L465-V470 PolarHBondContact O-N 3.48Å; L465-V473 HydrophobicContact CD1-CG1 4.16Å
466W97.3Very high96.8Very high17 Ų1714.4 Ų14.46%0.0649%0.093CC..Hα-helixtrans-62.4-50.3169.5-174.3-5.4000110.7L224 G225 P226 K227 P228 F462 S463 A468 G469 V484 P485 S486 P487L224-W466 HydrophobicContact CD1-CG 4.31Å; L224-W466 HydrophobicContact CD2-CZ2 4.04Å; G225-W466 PolarHBondContact O-NE1 3.1Å; P226-W466 PolarHBondContact O-NE1 3.17Å; K227-W466 HydrophobicContact CB-CD2 4.42Å; K227-W466 HydrophobicContact CB-CH2 3.77Å; K227-W466 HydrophobicContact CB-CZ2 3.6Å; K227-W466 HydrophobicContact CB-CZ3 4.27Å; K227-W466 HydrophobicContact CD-CH2 3.94Å; K227-W466 HydrophobicContact CD-CZ3 3.96Å; K227-W466 HydrophobicContact CG-CD2 4.38Å; K227-W466 HydrophobicContact CG-CE3 4.13Å; K227-W466 HydrophobicContact CG-CH2 3.84Å; K227-W466 HydrophobicContact CG-CZ2 4.12Å; K227-W466 HydrophobicContact CG-CZ3 3.85Å; P228-W466 VanDerWaalsContact CD-CG 3.41Å; P228-W466 HydrophobicContact CG-CB 3.79Å; P228-W466 HydrophobicContact CG-CG 4.13Å; F462-W466 HydrophobicContact CD1-CE3 4.44Å; F462-W466 AromaticContact CE1-CE3 3.77Å; F462-W466 HydrophobicContact CE1-CE3 3.77Å; F462-W466 HydrophobicContact CE1-CZ3 4.2Å; F462-W466 HydrophobicContact CZ-CE3 4.49Å; F462-W466 WeakPolarHBondContact O-CB 3.45Å; F462-W466 PolarHBondContact O-N 3.43Å; S463-W466 PolarHBondContact O-N 3.31Å; W466-A468 PolarHBondContact O-N 3.37Å; W466-G469 PolarHBondContact O-N 3.31Å; W466-V484 HydrophobicContact CZ3-CG1 4.46Å; W466-P485 WeakPolarHBondContact CH2-O 3.34Å; W466-S486 VanDerWaalsContact CZ3-CA 3.5Å; W466-P487 HydrophobicContact CB-CG 4.17Å; W466-P487 HydrophobicContact CD2-CG 3.7Å; W466-P487 HydrophobicContact CE3-CG 3.8Å; W466-P487 HydrophobicContact CG-CG 3.88Å; W466-P487 HydrophobicContact CZ3-CG 4.48Å
467C96.6Very high96.8Very high6 Ų615.4 Ų15.44%0.04110%0.099CC..Hα-helixtrans-58.9-30.1173.1-58.30000112.8P216 C217 M219 S463 L464 G469P216-C467 HydrophobicContact CB-CB 3.82Å; P216-C467 HydrophobicContact CG-CB 4.21Å; C217-C467 WeakPolarHBondContact CA-SG 3.34Å; C217-C467 HydrophobicContact CB-CB 3.9Å; C217-C467 WeakPolarHBondContact CB-SG 3.29Å; C217-C467 WeakPolarHBondContact SG-CB 3.4Å; C217-C467 CovalentContact SG-SG 2.05Å; C217-C467 PolarHBondContact SG-SG 2.85Å; M219-C467 HydrophobicContact CE-CB 4.21Å; M219-C467 WeakPolarHBondContact CE-O 3.4Å; S463-C467 PolarHBondContact O-N 3.49Å; S463-C467 PolarHBondContact O-SG 3.3Å; L464-C467 PolarHBondContact O-N 3Å; C467-G469 PolarHBondContact O-N 3.37Å
468A95.6Very high96.8Very high22 Ų2214.8 Ų14.818%0.18210%0.095CC..THydrogen-bonded Turntrans-75.5-9.4176.300000113.7P216 L441 L464 L465 W466 V470P216-A468 HydrophobicContact CB-CB 4.13Å; L441-A468 HydrophobicContact CD1-CB 4.05Å; L464-A468 WeakPolarHBondContact O-CB 3.25Å; L464-A468 PolarHBondContact O-N 3.41Å; L465-A468 PolarHBondContact O-N 2.89Å; W466-A468 PolarHBondContact O-N 3.37Å; A468-V470 HydrophobicContact CB-CG2 4.37Å
469G95.3Very high96.7Very high50 Ų5016.6 Ų16.652%0.51510%0.103SC..THydrogen-bonded Turntrans81.925.1-179.800000114.3L465 W466 C467 P471L465-G469 PolarHBondContact O-N 2.86Å; W466-G469 PolarHBondContact O-N 3.31Å; C467-G469 PolarHBondContact O-N 3.37Å; G469-P471 WeakPolarHBondContact O-CD 3.43Å
470V97.4Very high96.7Very high3 Ų317 Ų172%0.01811%0.105CC..  trans-67.4122.5-179.5174.80000110.8P228 L441 L453 L465 A468 S472 V473P228-V470 WeakPolarHBondContact CB-O 3.25Å; P228-V470 WeakPolarHBondContact CG-O 3.4Å; L441-V470 HydrophobicContact CD1-CG2 3.67Å; L441-V470 HydrophobicContact CD2-CG2 4.19Å; L453-V470 HydrophobicContact CB-CG1 4.49Å; L453-V470 HydrophobicContact CD1-CG1 4.02Å; L453-V470 HydrophobicContact CD1-CG2 3.74Å; L453-V470 HydrophobicContact CG-CG1 4.04Å; L465-V470 HydrophobicContact CB-CB 4.21Å; L465-V470 HydrophobicContact CB-CG2 3.95Å; L465-V470 HydrophobicContact CD2-CG2 4.16Å; L465-V470 WeakPolarHBondContact O-CB 3.32Å; L465-V470 WeakPolarHBondContact O-CG2 3.47Å; L465-V470 PolarHBondContact O-N 3.48Å; A468-V470 HydrophobicContact CB-CG2 4.37Å; V470-S472 VanDerWaalsContact CG1-O 3.26Å; V470-S472 WeakPolarHBondContact CG1-O 3.37Å; V470-S472 PolarHBondContact O-N 2.94Å; V470-V473 HydrophobicContact CG1-CG1 4.04Å
471P96.6Very high96.8Very high60 Ų6014.2 Ų14.239%0.399%0.094SC..SBendtrans-63.6-38.1-176.9-27.135.5000115.3A229 V451 G469A229-P471 PolarHBondContact N-O 3.15Å; V451-P471 WeakPolarHBondContact O-CD 3.22Å; G469-P471 WeakPolarHBondContact O-CD 3.43Å
472S97.8Very high96.8Very high2 Ų216.5 Ų16.51%0.01411%0.11CC..EExtended strand (participates in β ladder)trans-153.4157.1179.864.50000112.9A229 N452 L453 V470A229-S472 CarbonylContact O-C 3.5Å; A229-S472 WeakPolarHBondContact O-CA 3.39Å; A229-S472 WeakPolarHBondContact O-CB 3.25Å; N452-S472 WeakPolarHBondContact CA-O 3.47Å; N452-S472 WeakPolarHBondContact CB-OG 3.29Å; N452-S472 VanDerWaalsContact OD1-CB 3.3Å; N452-S472 WeakPolarHBondContact OD1-CB 3.3Å; N452-S472 PolarHBondContact OD1-O 3.18Å; N452-S472 PolarHBondContact OD1-OG 3.43Å; L453-S472 PolarHBondContact N-O 3.42Å; L453-S472 VanDerWaalsContact N-O 3.15Å; V470-S472 VanDerWaalsContact CG1-O 3.26Å; V470-S472 WeakPolarHBondContact CG1-O 3.37Å; V470-S472 PolarHBondContact O-N 2.94Å
473V98.4Very high96.7Very high0 Ų023.4 Ų23.40%014%0.142CC..EExtended strand (participates in β ladder)trans-133.7147.5172.1-57.10000111.4P228 A229 L230 I231 N452 L453 V456 F462 L465 V470P228-V473 HydrophobicContact CB-CG1 4.5Å; A229-V473 PolarHBondContact O-N 3.39Å; L230-V473 HydrophobicContact CD2-CG2 3.64Å; I231-V473 PolarHBondContact N-O 2.97Å; N452-V473 WeakPolarHBondContact OD1-CA 3.33Å; N452-V473 PolarHBondContact OD1-N 2.9Å; L453-V473 HydrophobicContact CB-CG1 4.44Å; L453-V473 CarbonylContact O-C 3.56Å; L453-V473 WeakPolarHBondContact O-CA 3.28Å; L453-V473 WeakPolarHBondContact O-CB 3.45Å; V456-V473 HydrophobicContact CB-CB 4.07Å; V456-V473 HydrophobicContact CB-CG1 4.41Å; V456-V473 HydrophobicContact CB-CG2 4.24Å; V456-V473 HydrophobicContact CG2-CB 4.01Å; V456-V473 HydrophobicContact CG2-CG1 4.04Å; F462-V473 HydrophobicContact CD2-CG2 3.85Å; F462-V473 HydrophobicContact CE2-CG2 3.84Å; L465-V473 HydrophobicContact CD1-CG1 4.16Å; V470-V473 HydrophobicContact CG1-CG1 4.04Å
474T98.5Very high96.6Very high2 Ų224 Ų241%0.01215%0.145CC..EExtended strand (participates in β ladder)trans-94.5134.1169-630000109.6I231 H233 Q260 N452 L453 T455 V456I231-T474 HydrophobicContact CG2-CG2 4.44Å; I231-T474 CarbonylContact O-C 3.39Å; I231-T474 VanDerWaalsContact O-CA 3.29Å; I231-T474 WeakPolarHBondContact O-CA 3.31Å; H233-T474 HydrophobicContact CB-CG2 3.51Å; Q260-T474 HydrophobicContact CB-CG2 4.17Å; N452-T474 PolarHBondContact ND2-OG1 2.86Å; L453-T474 PolarHBondContact O-N 2.82Å; T455-T474 WeakPolarHBondContact CA-O 3.38Å; V456-T474 PolarHBondContact N-O 2.85Å
475S98.1Very high96.5Very high0 Ų029.5 Ų29.50%018%0.182CC..EExtended strand (participates in β ladder)trans-144.8137.8-169.4-172.10000112.9I231 H233 V456 N457 N477 S478 L481I231-S475 PolarHBondContact O-N 3.07Å; H233-S475 WeakPolarHBondContact CB-O 3.2Å; H233-S475 PolarHBondContact N-O 2.6Å; V456-S475 WeakPolarHBondContact O-CB 3.44Å; V456-S475 PolarHBondContact O-OG 2.96Å; N457-S475 PolarHBondContact OD1-OG 3.42Å; S475-N477 VanDerWaalsContact OG-C 3.3Å; S475-N477 WeakPolarHBondContact OG-CA 3.38Å; S475-N477 PolarHBondContact OG-N 2.99Å; S475-S478 PolarHBondContact OG-N 2.91Å; S475-L481 WeakPolarHBondContact OG-CD1 3.48Å
476D97.6Very high96.4Very high4 Ų431.8 Ų31.82%0.02120%0.199CC..SBendtrans-73.2-37.9162.3-55.2-60.1000110.3H233 P237 M238 F320 T455 N457 S478H233-D476 IonicContact CE1-OD1 2.75Å; H233-D476 IonicContact CG-OD1 2.89Å; H233-D476 IonicContact ND1-OD1 3.64Å; H233-D476 PolarHBondContact ND1-OD1 2.96Å; H233-D476 IonicContact ND1-OD2 3.24Å; P237-D476 HydrophobicContact CG-CB 3.77Å; P237-D476 WeakPolarHBondContact CG-OD1 3.26Å; M238-D476 HydrophobicContact CE-CB 4.1Å; M238-D476 HydrophobicContact CG-CB 4.01Å; M238-D476 HydrophobicContact SD-CB 4.46Å; F320-D476 HydrophobicContact CE1-CB 4.36Å; F320-D476 HydrophobicContact CZ-CB 4.42Å; T455-D476 WeakPolarHBondContact CG2-OD2 3.4Å; N457-D476 PolarHBondContact ND2-OD2 3.32Å; N457-D476 WeakPolarHBondContact OD1-CA 3.38Å; N457-D476 VanDerWaalsContact OD1-CB 3.31Å; N457-D476 WeakPolarHBondContact OD1-CB 3.28Å; N457-D476 PolarHBondContact OD1-N 3.31Å; N457-D476 PolarHBondContact OD1-OD2 3.34Å; D476-S478 VanDerWaalsContact C-N 3.26Å; D476-S478 PolarHBondContact O-N 3.45Å
477N96.8Very high96.4Very high20 Ų2031.2 Ų31.211%0.10720%0.197CC..  trans-87.733.5-177.8-158.75.5000114.2M238 N457 S475 H479 T480 L481M238-N477 HydrophobicContact CE-CB 3.97Å; M238-N477 VanDerWaalsContact SD-CA 3.51Å; M238-N477 HydrophobicContact SD-CB 3.39Å; M238-N477 WeakPolarHBondContact SD-CB 3.38Å; M238-N477 VanDerWaalsContact SD-CG 3.52Å; N457-N477 HydrophobicContact CB-CB 4.11Å; N457-N477 WeakPolarHBondContact O-CB 3.47Å; N457-N477 PolarHBondContact O-ND2 2.86Å; N457-N477 PolarHBondContact OD1-N 2.99Å; N457-N477 VanDerWaalsContact OD1-N 3.14Å; S475-N477 VanDerWaalsContact OG-C 3.3Å; S475-N477 WeakPolarHBondContact OG-CA 3.38Å; S475-N477 PolarHBondContact OG-N 2.99Å; N477-H479 PolarHBondContact O-N 3.09Å; N477-H479 VanDerWaalsContact O-N 3.08Å; N477-H479 PolarHBondContact OD1-CE1 3.2Å; N477-H479 PolarHBondContact OD1-ND1 3.03Å; N477-T480 PolarHBondContact O-N 2.88Å; N477-T480 WeakPolarHBondContact OD1-CB 3.5Å; N477-T480 PolarHBondContact OD1-OG1 3.27Å; N477-L481 WeakPolarHBondContact O-CG 3.44Å; N477-L481 PolarHBondContact O-N 2.84Å; N477-L481 VanDerWaalsContact O-N 3.07Å
478S95.6Very high96.3Very high0 Ų036.3 Ų36.30%022%0.224CC..Hα-helixtrans-53.1-34.2-177.251.50000113.3Q254 L256 S475 D476 L481 S482Q254-S478 PolarHBondContact OE1-OG 3.04Å; L256-S478 VanDerWaalsContact CD1-CB 3.48Å; S475-S478 PolarHBondContact OG-N 2.91Å; D476-S478 VanDerWaalsContact C-N 3.26Å; D476-S478 PolarHBondContact O-N 3.45Å; S478-L481 PolarHBondContact O-N 3.32Å; S478-S482 WeakPolarHBondContact O-CB 3.41Å; S478-S482 PolarHBondContact O-N 3.25Å; S478-S482 PolarHBondContact O-OG 3.42Å
479H94.9Very high96.3Very high44 Ų4437.8 Ų37.820%0.20422%0.224CC..Hα-helixtrans-68.1-40.8-17873.9-83.4000113L239 N477 S482 Q483L239-H479 HydrophobicContact CD1-CB 3.85Å; L239-H479 HydrophobicContact CG-CB 4.43Å; N477-H479 PolarHBondContact O-N 3.09Å; N477-H479 VanDerWaalsContact O-N 3.08Å; N477-H479 PolarHBondContact OD1-CE1 3.2Å; N477-H479 PolarHBondContact OD1-ND1 3.03Å; H479-S482 PolarHBondContact O-OG 2.93Å; H479-Q483 WeakPolarHBondContact O-CG 3.45Å; H479-Q483 PolarHBondContact O-NE2 3.15Å
480T95.9Very high96.3Very high49 Ų4936.7 Ų36.730%0.30121%0.206SC..Hα-helixtrans-73.5-46.4174-57.70000110.6P459 N477 S482 Q483 V484P459-T480 HydrophobicContact CG-CG2 4.19Å; N477-T480 PolarHBondContact O-N 2.88Å; N477-T480 WeakPolarHBondContact OD1-CB 3.5Å; N477-T480 PolarHBondContact OD1-OG1 3.27Å; T480-S482 VanDerWaalsContact C-N 3.28Å; T480-S482 PolarHBondContact O-N 3.42Å; T480-Q483 PolarHBondContact O-N 3.3Å; T480-Q483 VanDerWaalsContact O-N 3.08Å; T480-V484 PolarHBondContact O-N 3.42Å
481L97.2Very high96.2Very high0 Ų037.7 Ų37.70%021%0.211CC..Hα-helixtrans-65.9-30.9-176.3-61-169.9000112.6K227 L230 V456 P459 F462 S475 N477 S478 Q483 V484K227-L481 WeakPolarHBondContact CE-O 3.43Å; K227-L481 PolarHBondContact NZ-O 2.8Å; L230-L481 HydrophobicContact CD1-CB 4.14Å; L230-L481 HydrophobicContact CD2-CB 4.02Å; L230-L481 HydrophobicContact CD2-CD1 4.39Å; V456-L481 HydrophobicContact CG1-CD1 4.3Å; V456-L481 VanDerWaalsContact O-CD1 3.23Å; V456-L481 WeakPolarHBondContact O-CD1 3.25Å; P459-L481 HydrophobicContact CB-CD2 4.33Å; P459-L481 HydrophobicContact CG-CD2 4.12Å; F462-L481 HydrophobicContact CB-CD1 4.08Å; F462-L481 HydrophobicContact CB-CD2 3.77Å; F462-L481 HydrophobicContact CB-CG 4.49Å; F462-L481 HydrophobicContact CD1-CD2 4.48Å; F462-L481 HydrophobicContact CD2-CB 4.39Å; F462-L481 HydrophobicContact CD2-CD1 3.87Å; F462-L481 HydrophobicContact CG-CB 4.44Å; F462-L481 HydrophobicContact CG-CD1 4.1Å; F462-L481 HydrophobicContact CG-CD2 4.04Å; F462-L481 HydrophobicContact CG-CG 4.43Å; S475-L481 WeakPolarHBondContact OG-CD1 3.48Å; N477-L481 WeakPolarHBondContact O-CG 3.44Å; N477-L481 PolarHBondContact O-N 2.84Å; N477-L481 VanDerWaalsContact O-N 3.07Å; S478-L481 PolarHBondContact O-N 3.32Å; L481-Q483 PolarHBondContact O-N 3.24Å; L481-V484 HydrophobicContact CD2-CG2 4.49Å; L481-V484 PolarHBondContact O-N 3.44Å
482S95.1Very high96.2Very high47 Ų4735.3 Ų35.333%0.32920%0.196SC..Hα-helixtrans-62.1-31.9174.468.80000112.4K227 S478 H479 T480K227-S482 VanDerWaalsContact NZ-C 3.32Å; K227-S482 PolarHBondContact NZ-O 3Å; S478-S482 WeakPolarHBondContact O-CB 3.41Å; S478-S482 PolarHBondContact O-N 3.25Å; S478-S482 PolarHBondContact O-OG 3.42Å; H479-S482 PolarHBondContact O-OG 2.93Å; T480-S482 VanDerWaalsContact C-N 3.28Å; T480-S482 PolarHBondContact O-N 3.42Å
483Q95.4Very high96.1Very high146 Ų14638.1 Ų38.168%0.68221%0.214SC*.Hα-helixtrans-82.7-16.8-178.7-62.4174.42800114.1H479 T480 L481 P485H479-Q483 WeakPolarHBondContact O-CG 3.45Å; H479-Q483 PolarHBondContact O-NE2 3.15Å; T480-Q483 PolarHBondContact O-N 3.3Å; T480-Q483 VanDerWaalsContact O-N 3.08Å; L481-Q483 PolarHBondContact O-N 3.24Å; Q483-P485 VanDerWaalsContact O-CD 3.24Å; Q483-P485 WeakPolarHBondContact O-CD 3.25Å; Q483-P485 VanDerWaalsContact O-N 3.15Å
484V95.4Very high95.9Very high14 Ų1444.2 Ų44.29%0.08525%0.247CC..  trans-61.2111.8177.4176.30000110.3K227 P459 F462 W466 T480 L481 S486K227-V484 PolarHBondContact NZ-O 2.87Å; P459-V484 HydrophobicContact CB-CG2 4.4Å; F462-V484 HydrophobicContact CD1-CB 4.37Å; F462-V484 HydrophobicContact CD1-CG1 4.21Å; F462-V484 HydrophobicContact CE1-CB 4.37Å; F462-V484 HydrophobicContact CE1-CG1 4.36Å; W466-V484 HydrophobicContact CZ3-CG1 4.46Å; T480-V484 PolarHBondContact O-N 3.42Å; L481-V484 HydrophobicContact CD2-CG2 4.49Å; L481-V484 PolarHBondContact O-N 3.44Å; V484-S486 WeakPolarHBondContact CG1-O 3.38Å
485P94Very high95.8Very high120 Ų12049 Ų4978%0.77927%0.269SS*.  trans-81.8-27-169.632.2-35.1000113.2W466 Q483W466-P485 WeakPolarHBondContact CH2-O 3.34Å; Q483-P485 VanDerWaalsContact O-CD 3.24Å; Q483-P485 WeakPolarHBondContact O-CD 3.25Å; Q483-P485 VanDerWaalsContact O-N 3.15Å
486S95.4Very high95.7Very high62 Ų6250 Ų5043%0.43427%0.273SS..SBendtrans-151.9164.317662.10000108W466 V484 L488W466-S486 VanDerWaalsContact CZ3-CA 3.5Å; V484-S486 WeakPolarHBondContact CG1-O 3.38Å; S486-L488 PolarHBondContact O-N 3.44Å
487P96.8Very high95.6Very high4 Ų452.8 Ų52.83%0.02629%0.292CS..  trans-49.3141.4165.5-26.936.4000111.1L224 S463 W466 W489 I490L224-P487 HydrophobicContact CD1-CG 3.94Å; L224-P487 HydrophobicContact CD2-CG 4.2Å; S463-P487 WeakPolarHBondContact OG-CA 3.27Å; W466-P487 HydrophobicContact CB-CG 4.17Å; W466-P487 HydrophobicContact CD2-CG 3.7Å; W466-P487 HydrophobicContact CE3-CG 3.8Å; W466-P487 HydrophobicContact CG-CG 3.88Å; W466-P487 HydrophobicContact CZ3-CG 4.48Å; P487-W489 PolarHBondContact O-N 2.94Å; P487-W489 VanDerWaalsContact O-N 3.11Å; P487-I490 HydrophobicContact CB-CD1 4.2Å; P487-I490 HydrophobicContact CB-CG1 3.85Å; P487-I490 HydrophobicContact CG-CD1 3.87Å; P487-I490 HydrophobicContact CG-CG1 4.07Å
488L94.8Very high95.6Very high114 Ų11457.2 Ų57.260%0.59732%0.315SS*.SBendtrans-53.9-33.1-176.5-70.8-179.9000112.8P459 W460 S463 S486P459-L488 HydrophobicContact CB-CD1 4.22Å; W460-L488 HydrophobicContact CB-CD1 4.15Å; S463-L488 WeakPolarHBondContact OG-CG 3.49Å; S463-L488 PolarHBondContact OG-N 3.45Å; S486-L488 PolarHBondContact O-N 3.44Å
489W94.6Very high95.6Very high53 Ų5359.3 Ų59.320%0.20133%0.325CS..  trans-143.8145.7168.871.1-89.7000110.1G159 P162 F163 S215 C217 I218 P487 M491G159-W489 WeakPolarHBondContact O-CZ2 3.45Å; G159-W489 PolarHBondContact O-NE1 3.31Å; P162-W489 HydrophobicContact CG-CH2 4.1Å; F163-W489 HydrophobicContact CE2-CD2 4.07Å; F163-W489 AromaticContact CE2-CE2 3.87Å; F163-W489 HydrophobicContact CE2-CG 4.26Å; F163-W489 HydrophobicContact CE2-CZ2 4.28Å; F163-W489 AromaticContact CE2-NE1 3.92Å; F163-W489 HydrophobicContact CZ-CD2 4.02Å; F163-W489 HydrophobicContact CZ-CE3 4.34Å; F163-W489 HydrophobicContact CZ-CG 4.13Å; S215-W489 VanDerWaalsContact OG-CH2 3.26Å; S215-W489 WeakPolarHBondContact OG-CH2 3.37Å; C217-W489 HydrophobicContact CB-CD2 4.11Å; C217-W489 HydrophobicContact CB-CE3 3.96Å; C217-W489 HydrophobicContact CB-CH2 3.77Å; C217-W489 HydrophobicContact CB-CZ2 3.91Å; C217-W489 HydrophobicContact CB-CZ3 3.79Å; I218-W489 HydrophobicContact CG1-CH2 4.14Å; I218-W489 HydrophobicContact CG1-CZ3 4.12Å; P487-W489 PolarHBondContact O-N 2.94Å; P487-W489 VanDerWaalsContact O-N 3.11Å; W489-M491 HydrophobicContact CE3-CB 4.01Å; W489-M491 HydrophobicContact CZ3-CB 3.82Å
490I95.4Very high95.7Very high26 Ų2659.5 Ų59.513%0.13332%0.324CS..  trans-140.3133165.5-57178.9000105.7C217 M219 K221 L224 P487C217-I490 WeakPolarHBondContact O-CA 3.29Å; M219-I490 HydrophobicContact CG-CG2 3.82Å; M219-I490 WeakPolarHBondContact O-CG2 3.26Å; K221-I490 HydrophobicContact CG-CB 4.44Å; K221-I490 HydrophobicContact CG-CG2 4.13Å; L224-I490 HydrophobicContact CD1-CD1 3.94Å; L224-I490 HydrophobicContact CD2-CD1 3.7Å; L224-I490 HydrophobicContact CG-CD1 4.25Å; P487-I490 HydrophobicContact CB-CD1 4.2Å; P487-I490 HydrophobicContact CB-CG1 3.85Å; P487-I490 HydrophobicContact CG-CD1 3.87Å; P487-I490 HydrophobicContact CG-CG1 4.07Å
491M95.1Very high95.7Very high24 Ų2461 Ų6112%0.11833%0.333CS..BIsolated β-bridgetrans-125111.4-177.9-163.5174.5-68.800109.8F163 C217 I218 M219 W489 E495 Y496 M499F163-M491 HydrophobicContact CE1-CE 4.24Å; F163-M491 HydrophobicContact CZ-CE 4.36Å; C217-M491 PolarHBondContact O-N 3.27Å; I218-M491 CarbonylContact C-O 3.54Å; I218-M491 VanDerWaalsContact CA-O 3.23Å; I218-M491 WeakPolarHBondContact CA-O 3.28Å; M219-M491 PolarHBondContact N-O 3.42Å; M219-M491 CarbonylContact O-C 3.36Å; W489-M491 HydrophobicContact CE3-CB 4.01Å; W489-M491 HydrophobicContact CZ3-CB 3.82Å; M491-E495 HydrophobicContact CG-CB 3.93Å; M491-Y496 VanDerWaalsContact SD-CA 3.52Å; M491-Y496 HydrophobicContact SD-CD2 3.72Å; M491-Y496 HydrophobicContact SD-CG 4.22Å; M491-M499 HydrophobicContact CE-CE 4.38Å; M491-M499 HydrophobicContact CE-SD 3.91Å; M491-M499 HydrophobicContact SD-CE 4.16Å; M491-M499 HydrophobicContact SD-SD 4.21Å
492P96.4Very high95.7Very high11 Ų1164.2 Ų64.27%0.07135%0.353CS..  trans-48.7143.9167.5-30.537.5000111.8M219 D494 E495 Y496M219-P492 WeakPolarHBondContact O-CA 3.37Å; P492-D494 PolarHBondContact O-N 3.49Å; P492-D494 VanDerWaalsContact O-N 3.16Å; P492-E495 HydrophobicContact CB-CB 4.24Å; P492-E495 HydrophobicContact CB-CG 4.12Å; P492-E495 WeakPolarHBondContact CD-OE2 3.42Å; P492-E495 HydrophobicContact CG-CG 4.13Å; P492-E495 PolarHBondContact O-N 3.27Å; P492-Y496 PolarHBondContact O-N 2.98Å
493P95.7Very high95.8Very high60 Ų6063 Ų6339%0.3935%0.345SS..Hα-helixtrans-54.4-35178.8-27.636.3000113.6I218 E220 Y496 C497I218-P493 HydrophobicContact CG2-CG 4.4Å; E220-P493 WeakPolarHBondContact OE1-CD 3.4Å; P493-Y496 PolarHBondContact O-N 2.89Å; P493-C497 VanDerWaalsContact O-CB 3.3Å; P493-C497 WeakPolarHBondContact O-CB 3.46Å; P493-C497 PolarHBondContact O-N 2.93Å
494D95.8Very high95.8Very high129 Ų12957 Ų5769%0.6932%0.318SS*.Hα-helixtrans-69.7-39.1176.3-69-13.7000112.4P492 C497 L498P492-D494 PolarHBondContact O-N 3.49Å; P492-D494 VanDerWaalsContact O-N 3.16Å; D494-C497 PolarHBondContact O-N 2.84Å; D494-L498 VanDerWaalsContact O-CB 3.32Å; D494-L498 WeakPolarHBondContact O-CB 3.41Å; D494-L498 PolarHBondContact O-N 2.89Å
495E95.6Very high95.9Very high102 Ų10261.6 Ų61.648%0.47734%0.341SS..Hα-helixtrans-66.3-38.9173.5-71.6-177.1-157.600111.2M491 P492 L498 M499M491-E495 HydrophobicContact CG-CB 3.93Å; P492-E495 HydrophobicContact CB-CB 4.24Å; P492-E495 HydrophobicContact CB-CG 4.12Å; P492-E495 WeakPolarHBondContact CD-OE2 3.42Å; P492-E495 HydrophobicContact CG-CG 4.13Å; P492-E495 PolarHBondContact O-N 3.27Å; E495-L498 PolarHBondContact O-N 2.7Å; E495-M499 WeakPolarHBondContact O-CB 3.5Å; E495-M499 PolarHBondContact O-N 3.48Å
496Y96Very high96.1Very high22 Ų2259.9 Ų59.99%0.08633%0.329CS..Hα-helixtrans-65-45.5175.2179.5-113.6000111.9P162 P210 I213 I218 M491 P492 P493 L498 M499 W500P162-Y496 HydrophobicContact CB-CE2 3.95Å; P162-Y496 HydrophobicContact CG-CE2 4.19Å; P210-Y496 WeakPolarHBondContact CA-OH 3.31Å; P210-Y496 WeakPolarHBondContact CB-OH 3.25Å; P210-Y496 PolarHBondContact O-OH 3.13Å; I213-Y496 WeakPolarHBondContact CB-OH 3.31Å; I218-Y496 HydrophobicContact CD1-CD1 3.97Å; I218-Y496 HydrophobicContact CD1-CD2 3.88Å; I218-Y496 HydrophobicContact CD1-CE1 3.97Å; I218-Y496 HydrophobicContact CD1-CE2 3.91Å; I218-Y496 HydrophobicContact CD1-CG 3.92Å; I218-Y496 HydrophobicContact CG1-CD2 4.4Å; I218-Y496 HydrophobicContact CG1-CG 4.32Å; I218-Y496 HydrophobicContact CG2-CD1 4.38Å; I218-Y496 HydrophobicContact CG2-CG 4.38Å; M491-Y496 VanDerWaalsContact SD-CA 3.52Å; M491-Y496 HydrophobicContact SD-CD2 3.72Å; M491-Y496 HydrophobicContact SD-CG 4.22Å; P492-Y496 PolarHBondContact O-N 2.98Å; P493-Y496 PolarHBondContact O-N 2.89Å; Y496-L498 VanDerWaalsContact C-N 3.35Å; Y496-L498 PolarHBondContact O-N 3.24Å; Y496-M499 HydrophobicContact CD2-CE 3.86Å; Y496-M499 HydrophobicContact CE2-CE 3.94Å; Y496-M499 PolarHBondContact O-N 3.44Å; Y496-W500 WeakPolarHBondContact O-CB 3.5Å; Y496-W500 PolarHBondContact O-N 3.37Å
497C96Very high96.2Very high62 Ų6257.1 Ų57.142%0.41931%0.309SS..Hα-helixtrans-60-44.6174.4-172.40000111.3P493 D494 W500 V501P493-C497 VanDerWaalsContact O-CB 3.3Å; P493-C497 WeakPolarHBondContact O-CB 3.46Å; P493-C497 PolarHBondContact O-N 2.93Å; D494-C497 PolarHBondContact O-N 2.84Å; C497-W500 PolarHBondContact O-N 3.21Å; C497-V501 WeakPolarHBondContact O-CB 3.42Å; C497-V501 VanDerWaalsContact O-CG2 3.31Å; C497-V501 WeakPolarHBondContact O-CG2 3.39Å; C497-V501 PolarHBondContact O-N 2.98Å
498L96.4Very high96.2Very high113 Ų11362.5 Ų62.559%0.59233%0.332SS*.Hα-helixtrans-62.9-46.1176.5-177.865.4000112D494 E495 Y496 W500 T502D494-L498 VanDerWaalsContact O-CB 3.32Å; D494-L498 WeakPolarHBondContact O-CB 3.41Å; D494-L498 PolarHBondContact O-N 2.89Å; E495-L498 PolarHBondContact O-N 2.7Å; Y496-L498 VanDerWaalsContact C-N 3.35Å; Y496-L498 PolarHBondContact O-N 3.24Å; L498-W500 VanDerWaalsContact C-N 3.35Å; L498-W500 PolarHBondContact O-N 3.12Å; L498-T502 HydrophobicContact CD1-CG2 3.87Å; L498-T502 HydrophobicContact CG-CG2 4.34Å; L498-T502 VanDerWaalsContact O-CB 3.32Å; L498-T502 WeakPolarHBondContact O-CB 3.49Å; L498-T502 VanDerWaalsContact O-CG2 3.27Å; L498-T502 WeakPolarHBondContact O-CG2 3.49Å; L498-T502 PolarHBondContact O-N 2.88Å; L498-T502 PolarHBondContact O-OG1 3.19Å
499M95.4Very high96.3Very high43 Ų4361 Ų6121%0.21233%0.328CS..Hα-helixtrans-58.1-47.4176.9-175.8-169.369.600111.1P162 V166 M491 E495 Y496 T502 A503P162-M499 HydrophobicContact CB-CE 4.16Å; V166-M499 HydrophobicContact CG2-CE 4.22Å; V166-M499 HydrophobicContact CG2-CG 4.46Å; V166-M499 HydrophobicContact CG2-SD 4.24Å; M491-M499 HydrophobicContact CE-CE 4.38Å; M491-M499 HydrophobicContact CE-SD 3.91Å; M491-M499 HydrophobicContact SD-CE 4.16Å; M491-M499 HydrophobicContact SD-SD 4.21Å; E495-M499 WeakPolarHBondContact O-CB 3.5Å; E495-M499 PolarHBondContact O-N 3.48Å; Y496-M499 HydrophobicContact CD2-CE 3.86Å; Y496-M499 HydrophobicContact CE2-CE 3.94Å; Y496-M499 PolarHBondContact O-N 3.44Å; M499-T502 PolarHBondContact O-OG1 2.77Å; M499-A503 VanDerWaalsContact O-CB 3.26Å; M499-A503 WeakPolarHBondContact O-CB 3.27Å; M499-A503 PolarHBondContact O-N 2.98Å
500W96.3Very high96.4Very high49 Ų4962.8 Ų62.819%0.18634%0.341CS..Hα-helixtrans-61.5-57.6177.4169.419.3000111.6Y207 P210 L211 Y496 C497 L498 T502 A503 D504Y207-W500 VanDerWaalsContact O-CZ2 3.31Å; Y207-W500 WeakPolarHBondContact O-CZ2 3.43Å; Y207-W500 PolarHBondContact O-NE1 3.43Å; Y207-W500 VanDerWaalsContact O-NE1 3.1Å; P210-W500 HydrophobicContact CB-CD2 3.42Å; P210-W500 VanDerWaalsContact CB-CD2 3.42Å; P210-W500 HydrophobicContact CB-CE3 3.66Å; P210-W500 HydrophobicContact CB-CG 3.81Å; P210-W500 HydrophobicContact CB-CH2 4.32Å; P210-W500 HydrophobicContact CB-CZ2 4.11Å; P210-W500 HydrophobicContact CB-CZ3 4.1Å; P210-W500 HydrophobicContact CG-CD2 3.8Å; P210-W500 HydrophobicContact CG-CG 3.75Å; P210-W500 HydrophobicContact CG-CZ2 4.48Å; L211-W500 HydrophobicContact CD2-CH2 3.57Å; L211-W500 HydrophobicContact CD2-CZ3 4.08Å; L211-W500 HydrophobicContact CG-CH2 3.67Å; L211-W500 HydrophobicContact CG-CZ2 4.31Å; L211-W500 HydrophobicContact CG-CZ3 4.47Å; Y496-W500 WeakPolarHBondContact O-CB 3.5Å; Y496-W500 PolarHBondContact O-N 3.37Å; C497-W500 PolarHBondContact O-N 3.21Å; L498-W500 VanDerWaalsContact C-N 3.35Å; L498-W500 PolarHBondContact O-N 3.12Å; W500-T502 VanDerWaalsContact C-N 3.28Å; W500-T502 PolarHBondContact O-N 2.96Å; W500-A503 PolarHBondContact O-N 3.37Å; W500-A503 VanDerWaalsContact O-N 3.16Å; W500-D504 VanDerWaalsContact CD1-CG 3.47Å; W500-D504 VanDerWaalsContact CD1-OD2 3.29Å; W500-D504 PolarHBondContact NE1-OD2 3.04Å; W500-D504 PolarHBondContact O-N 2.82Å
501V96.8Very high96.5Very high81 Ų8161.8 Ų61.849%0.49134%0.336SS..Hα-helixtrans-60.4-37.9-176.1171.80000111.6C497 L505C497-V501 WeakPolarHBondContact O-CB 3.42Å; C497-V501 VanDerWaalsContact O-CG2 3.31Å; C497-V501 WeakPolarHBondContact O-CG2 3.39Å; C497-V501 PolarHBondContact O-N 2.98Å; V501-L505 VanDerWaalsContact O-CB 3.24Å; V501-L505 WeakPolarHBondContact O-CB 3.37Å; V501-L505 PolarHBondContact O-N 3.26Å
502T96.9Very high96.5Very high67 Ų6763.8 Ų63.841%0.41135%0.349SS..Hα-helixtrans-70.7-41.1176.854.70000112.5L498 M499 W500 L505 V506L498-T502 HydrophobicContact CD1-CG2 3.87Å; L498-T502 HydrophobicContact CG-CG2 4.34Å; L498-T502 VanDerWaalsContact O-CB 3.32Å; L498-T502 WeakPolarHBondContact O-CB 3.49Å; L498-T502 VanDerWaalsContact O-CG2 3.27Å; L498-T502 WeakPolarHBondContact O-CG2 3.49Å; L498-T502 PolarHBondContact O-N 2.88Å; L498-T502 PolarHBondContact O-OG1 3.19Å; M499-T502 PolarHBondContact O-OG1 2.77Å; W500-T502 VanDerWaalsContact C-N 3.28Å; W500-T502 PolarHBondContact O-N 2.96Å; T502-L505 PolarHBondContact O-N 3.43Å; T502-V506 WeakPolarHBondContact O-CB 3.47Å; T502-V506 VanDerWaalsContact O-CG2 3.23Å; T502-V506 WeakPolarHBondContact O-CG2 3.41Å; T502-V506 PolarHBondContact O-N 2.96Å
503A96.6Very high96.3Very high20 Ų2064.6 Ų64.617%0.16536%0.36CS..Hα-helixtrans-60.5-46.6174.800000111.7V166 L169 M499 W500 V506 S507V166-A503 HydrophobicContact CG2-CB 4.48Å; L169-A503 VanDerWaalsContact CD2-C 3.47Å; L169-A503 HydrophobicContact CD2-CB 3.92Å; L169-A503 WeakPolarHBondContact CD2-O 3.3Å; M499-A503 VanDerWaalsContact O-CB 3.26Å; M499-A503 WeakPolarHBondContact O-CB 3.27Å; M499-A503 PolarHBondContact O-N 2.98Å; W500-A503 PolarHBondContact O-N 3.37Å; W500-A503 VanDerWaalsContact O-N 3.16Å; A503-V506 PolarHBondContact O-N 3.25Å; A503-S507 VanDerWaalsContact O-CB 3.31Å; A503-S507 WeakPolarHBondContact O-CB 3.45Å; A503-S507 PolarHBondContact O-N 3Å
504D96.3Very high96.2Very high21 Ų2163 Ų6311%0.11235%0.348CS..Hα-helixtrans-64.5-44.2178.3-77.115.8000111.9H165 L169 Y207 W500 S507 F508H165-D504 IonicContact CE1-OD1 3.11Å; H165-D504 IonicContact NE2-OD1 2.7Å; L169-D504 WeakPolarHBondContact CD2-OD1 3.5Å; Y207-D504 VanDerWaalsContact CA-OD2 3.31Å; Y207-D504 WeakPolarHBondContact CA-OD2 3.45Å; Y207-D504 VanDerWaalsContact CB-OD2 3.32Å; Y207-D504 WeakPolarHBondContact CB-OD2 3.11Å; Y207-D504 HydrophobicContact CD1-CB 3.82Å; Y207-D504 WeakPolarHBondContact CD1-OD1 3.28Å; Y207-D504 VanDerWaalsContact CD1-OD2 3.31Å; Y207-D504 WeakPolarHBondContact CD1-OD2 3.41Å; Y207-D504 HydrophobicContact CE1-CB 3.94Å; Y207-D504 HydrophobicContact CG-CB 4.45Å; W500-D504 VanDerWaalsContact CD1-CG 3.47Å; W500-D504 VanDerWaalsContact CD1-OD2 3.29Å; W500-D504 PolarHBondContact NE1-OD2 3.04Å; W500-D504 PolarHBondContact O-N 2.82Å; D504-S507 PolarHBondContact O-N 3.37Å; D504-F508 VanDerWaalsContact O-CB 3.28Å; D504-F508 WeakPolarHBondContact O-CB 3.18Å; D504-F508 PolarHBondContact O-N 3.47Å
505L97.4Very high96Very high110 Ų11058.5 Ų58.558%0.57632%0.322SS*.Hα-helixtrans-63-43.2177.2-170.885.8000112.1V501 T502 T509V501-L505 VanDerWaalsContact O-CB 3.24Å; V501-L505 WeakPolarHBondContact O-CB 3.37Å; V501-L505 PolarHBondContact O-N 3.26Å; T502-L505 PolarHBondContact O-N 3.43Å; L505-T509 VanDerWaalsContact O-CB 3.32Å; L505-T509 WeakPolarHBondContact O-CB 3.4Å; L505-T509 PolarHBondContact O-N 3.01Å; L505-T509 PolarHBondContact O-OG1 2.97Å
506V97.7Very high95.7Very high85 Ų8558.1 Ų58.152%0.51533%0.326SS..Hα-helixtrans-65.4-46.8177.4168.50000110.2T502 A503 F508 T509 L510T502-V506 WeakPolarHBondContact O-CB 3.47Å; T502-V506 VanDerWaalsContact O-CG2 3.23Å; T502-V506 WeakPolarHBondContact O-CG2 3.41Å; T502-V506 PolarHBondContact O-N 2.96Å; A503-V506 PolarHBondContact O-N 3.25Å; V506-F508 PolarHBondContact O-N 3.45Å; V506-T509 PolarHBondContact O-N 3.2Å; V506-L510 HydrophobicContact CG1-CD1 3.81Å; V506-L510 HydrophobicContact CG1-CG 4.41Å; V506-L510 WeakPolarHBondContact O-CB 3.35Å; V506-L510 VanDerWaalsContact O-CG 3.27Å; V506-L510 WeakPolarHBondContact O-CG 3.49Å; V506-L510 PolarHBondContact O-N 3.43Å
507S97.8Very high95.3Very high3 Ų362.2 Ų62.22%0.02135%0.349CS..Hα-helixtrans-56.6-50.6175.1-178.90000111.6T173 Y207 A503 D504 T509 L510 I511T173-S507 WeakPolarHBondContact OG1-CB 3.16Å; T173-S507 PolarHBondContact OG1-OG 3.2Å; Y207-S507 PolarHBondContact OH-OG 2.99Å; A503-S507 VanDerWaalsContact O-CB 3.31Å; A503-S507 WeakPolarHBondContact O-CB 3.45Å; A503-S507 PolarHBondContact O-N 3Å; D504-S507 PolarHBondContact O-N 3.37Å; S507-T509 PolarHBondContact O-N 3.09Å; S507-L510 PolarHBondContact O-N 2.94Å; S507-I511 WeakPolarHBondContact O-CB 3.37Å; S507-I511 VanDerWaalsContact O-CG1 3.23Å; S507-I511 WeakPolarHBondContact O-CG1 3.17Å; S507-I511 PolarHBondContact O-N 2.96Å
508F97.4Very high94.7Very high117 Ų11760.4 Ų60.451%0.51334%0.335SS..Hα-helixtrans-58.5-48.7178.7176.8-98.7000111.9Y207 D504 V506 L510 I511 V512Y207-F508 VanDerWaalsContact OH-CA 3.26Å; Y207-F508 WeakPolarHBondContact OH-CA 3.42Å; Y207-F508 WeakPolarHBondContact OH-CB 3.49Å; Y207-F508 PolarHBondContact OH-N 2.88Å; Y207-F508 VanDerWaalsContact OH-N 3.09Å; D504-F508 VanDerWaalsContact O-CB 3.28Å; D504-F508 WeakPolarHBondContact O-CB 3.18Å; D504-F508 PolarHBondContact O-N 3.47Å; V506-F508 PolarHBondContact O-N 3.45Å; F508-L510 VanDerWaalsContact C-N 3.34Å; F508-L510 PolarHBondContact O-N 3.35Å; F508-I511 PolarHBondContact O-N 3.45Å; F508-V512 HydrophobicContact CD1-CG2 4.36Å; F508-V512 HydrophobicContact CD2-CG2 4.3Å; F508-V512 HydrophobicContact CE1-CG2 3.97Å; F508-V512 HydrophobicContact CE2-CG2 3.9Å; F508-V512 HydrophobicContact CZ-CG2 3.73Å; F508-V512 WeakPolarHBondContact O-CB 3.4Å; F508-V512 WeakPolarHBondContact O-CG2 3.25Å; F508-V512 PolarHBondContact O-N 2.84Å
509T97.1Very high93.9Very high84 Ų8459.2 Ų59.252%0.51533%0.329SS..Hα-helixtrans-61.9-42.3-179.3-56.70000111.3L505 V506 S507 G513L505-T509 VanDerWaalsContact O-CB 3.32Å; L505-T509 WeakPolarHBondContact O-CB 3.4Å; L505-T509 PolarHBondContact O-N 3.01Å; L505-T509 PolarHBondContact O-OG1 2.97Å; V506-T509 PolarHBondContact O-N 3.2Å; S507-T509 PolarHBondContact O-N 3.09Å; T509-G513 PolarHBondContact O-N 3.42Å
510L97.1Very high93.1Very high90 Ų9063.8 Ų63.847%0.47135%0.345SS..Hα-helixtrans-67-45.7176.5-71.1173.4000111.9T173 V506 S507 F508 V512 G513 I514T173-L510 HydrophobicContact CG2-CB 3.66Å; T173-L510 HydrophobicContact CG2-CD1 3.92Å; T173-L510 HydrophobicContact CG2-CG 4.47Å; V506-L510 HydrophobicContact CG1-CD1 3.81Å; V506-L510 HydrophobicContact CG1-CG 4.41Å; V506-L510 WeakPolarHBondContact O-CB 3.35Å; V506-L510 VanDerWaalsContact O-CG 3.27Å; V506-L510 WeakPolarHBondContact O-CG 3.49Å; V506-L510 PolarHBondContact O-N 3.43Å; S507-L510 PolarHBondContact O-N 2.94Å; F508-L510 VanDerWaalsContact C-N 3.34Å; F508-L510 PolarHBondContact O-N 3.35Å; L510-V512 PolarHBondContact O-N 3.15Å; L510-G513 PolarHBondContact O-N 3.41Å; L510-I514 WeakPolarHBondContact O-CB 3.25Å; L510-I514 WeakPolarHBondContact O-CG1 3.38Å; L510-I514 PolarHBondContact O-N 3.03Å
511I96.4Very high92Very high4 Ų467.7 Ų67.72%0.02136%0.364CS..Hα-helixtrans-58.3-50.5176.6-70.5166.6000110.2T173 F199 F200 V203 S507 F508 G513 I514 F515T173-I511 HydrophobicContact CG2-CG1 4.34Å; F199-I511 HydrophobicContact CE1-CG2 3.96Å; F199-I511 HydrophobicContact CZ-CD1 4.18Å; F199-I511 HydrophobicContact CZ-CG1 4.44Å; F199-I511 HydrophobicContact CZ-CG2 4.4Å; F200-I511 HydrophobicContact CE1-CG2 4.3Å; V203-I511 HydrophobicContact CG1-CD1 4.18Å; V203-I511 HydrophobicContact CG2-CD1 4.2Å; S507-I511 WeakPolarHBondContact O-CB 3.37Å; S507-I511 VanDerWaalsContact O-CG1 3.23Å; S507-I511 WeakPolarHBondContact O-CG1 3.17Å; S507-I511 PolarHBondContact O-N 2.96Å; F508-I511 PolarHBondContact O-N 3.45Å; I511-G513 PolarHBondContact O-N 3Å; I511-I514 PolarHBondContact O-N 3.32Å; I511-F515 HydrophobicContact CG2-CD2 3.98Å; I511-F515 HydrophobicContact CG2-CE2 4.09Å; I511-F515 WeakPolarHBondContact O-CD2 3.43Å; I511-F515 PolarHBondContact O-N 3.49Å
512V94.6Very high90.6Very high66 Ų6665.6 Ų65.640%0.435%0.351SS..Hα-helixtrans-59.9-46.2177.61720000110.8F508 L510 I514 F515 V516F508-V512 HydrophobicContact CD1-CG2 4.36Å; F508-V512 HydrophobicContact CD2-CG2 4.3Å; F508-V512 HydrophobicContact CE1-CG2 3.97Å; F508-V512 HydrophobicContact CE2-CG2 3.9Å; F508-V512 HydrophobicContact CZ-CG2 3.73Å; F508-V512 WeakPolarHBondContact O-CB 3.4Å; F508-V512 WeakPolarHBondContact O-CG2 3.25Å; F508-V512 PolarHBondContact O-N 2.84Å; L510-V512 PolarHBondContact O-N 3.15Å; V512-I514 VanDerWaalsContact C-N 3.33Å; V512-I514 PolarHBondContact O-N 3.06Å; V512-F515 PolarHBondContact O-N 3.14Å; V512-V516 HydrophobicContact CG1-CG2 4.31Å; V512-V516 WeakPolarHBondContact O-CB 3.39Å; V512-V516 VanDerWaalsContact O-CG2 3.3Å; V512-V516 WeakPolarHBondContact O-CG2 3.09Å; V512-V516 PolarHBondContact O-N 3.23Å
513G93.4Very high88.9Confident28 Ų2866.3 Ų66.329%0.28935%0.351SS..Hα-helixtrans-57.2-43.717600000112.8T509 L510 I511 V516 L517T509-G513 PolarHBondContact O-N 3.42Å; L510-G513 PolarHBondContact O-N 3.41Å; I511-G513 PolarHBondContact O-N 3Å; G513-V516 PolarHBondContact O-N 2.97Å; G513-L517 VanDerWaalsContact O-CB 3.27Å; G513-L517 WeakPolarHBondContact O-CB 3.17Å; G513-L517 WeakPolarHBondContact O-CG 3.46Å; G513-L517 PolarHBondContact O-N 3.06Å
514I93.4Very high87.3Confident27 Ų2773.2 Ų73.214%0.13837%0.373CS..Hα-helixtrans-63.7-48.1178.2-73.2169.2000111.4S176 W177 A180 L510 I511 V512 V516 L517 Q518S176-I514 VanDerWaalsContact OG-CD1 3.29Å; S176-I514 WeakPolarHBondContact OG-CD1 3.2Å; W177-I514 HydrophobicContact CB-CG2 4.2Å; W177-I514 HydrophobicContact CD2-CG2 4.39Å; W177-I514 HydrophobicContact CE3-CB 4.34Å; W177-I514 HydrophobicContact CE3-CD1 4.38Å; W177-I514 HydrophobicContact CE3-CG1 3.92Å; W177-I514 HydrophobicContact CE3-CG2 3.74Å; W177-I514 HydrophobicContact CZ3-CG1 4.36Å; W177-I514 HydrophobicContact CZ3-CG2 4.47Å; A180-I514 HydrophobicContact CB-CG2 4.18Å; L510-I514 WeakPolarHBondContact O-CB 3.25Å; L510-I514 WeakPolarHBondContact O-CG1 3.38Å; L510-I514 PolarHBondContact O-N 3.03Å; I511-I514 PolarHBondContact O-N 3.32Å; V512-I514 VanDerWaalsContact C-N 3.33Å; V512-I514 PolarHBondContact O-N 3.06Å; I514-V516 PolarHBondContact O-N 3.4Å; I514-L517 PolarHBondContact O-N 2.78Å; I514-Q518 WeakPolarHBondContact O-CB 3.5Å; I514-Q518 WeakPolarHBondContact O-CG 3.36Å; I514-Q518 PolarHBondContact O-N 2.98Å
515F91Very high85.5Confident35 Ų3580.9 Ų80.915%0.15440%0.4CS..Hα-helixtrans-63.5-40.3177.3-88.5-95.6000112V179 A180 F183 L196 F199 I511 V512 N519V179-F515 HydrophobicContact CG1-CZ 4.2Å; A180-F515 HydrophobicContact CB-CD1 3.86Å; A180-F515 HydrophobicContact CB-CD2 3.95Å; A180-F515 HydrophobicContact CB-CE1 3.86Å; A180-F515 HydrophobicContact CB-CE2 3.95Å; A180-F515 HydrophobicContact CB-CG 3.92Å; A180-F515 HydrophobicContact CB-CZ 3.91Å; F183-F515 HydrophobicContact CB-CE1 4.44Å; F183-F515 HydrophobicContact CD1-CE1 4.46Å; F183-F515 HydrophobicContact CG-CE1 4.4Å; L196-F515 HydrophobicContact CD1-CE1 3.63Å; L196-F515 HydrophobicContact CD1-CZ 3.88Å; F199-F515 HydrophobicContact CD1-CE2 4.43Å; F199-F515 HydrophobicContact CD1-CZ 4.44Å; F199-F515 HydrophobicContact CE1-CE2 4.05Å; F199-F515 HydrophobicContact CE1-CZ 4.5Å; I511-F515 HydrophobicContact CG2-CD2 3.98Å; I511-F515 HydrophobicContact CG2-CE2 4.09Å; I511-F515 WeakPolarHBondContact O-CD2 3.43Å; I511-F515 PolarHBondContact O-N 3.49Å; V512-F515 PolarHBondContact O-N 3.14Å; F515-N519 VanDerWaalsContact O-CB 3.25Å; F515-N519 WeakPolarHBondContact O-CB 3.44Å; F515-N519 PolarHBondContact O-N 3.19Å
516V89Confident83.7Confident93 Ų9383.1 Ų83.156%0.56440%0.401SS*.Hα-helixtrans-65.6-47.9175.8170.20000111.5V512 G513 I514 Q518 N519 Y520V512-V516 HydrophobicContact CG1-CG2 4.31Å; V512-V516 WeakPolarHBondContact O-CB 3.39Å; V512-V516 VanDerWaalsContact O-CG2 3.3Å; V512-V516 WeakPolarHBondContact O-CG2 3.09Å; V512-V516 PolarHBondContact O-N 3.23Å; G513-V516 PolarHBondContact O-N 2.97Å; I514-V516 PolarHBondContact O-N 3.4Å; V516-Q518 PolarHBondContact O-N 3.41Å; V516-N519 PolarHBondContact O-N 3.34Å; V516-Y520 WeakPolarHBondContact O-CB 3.41Å; V516-Y520 PolarHBondContact O-N 3.36Å
517L88.5Confident81.5Confident108 Ų10884.6 Ų84.657%0.56541%0.405SS*.Hα-helixtrans-60.9-44.3179.6-77.1169.6000111.9G513 I514 Y520 H521G513-L517 VanDerWaalsContact O-CB 3.27Å; G513-L517 WeakPolarHBondContact O-CB 3.17Å; G513-L517 WeakPolarHBondContact O-CG 3.46Å; G513-L517 PolarHBondContact O-N 3.06Å; I514-L517 PolarHBondContact O-N 2.78Å; L517-Y520 PolarHBondContact O-N 3.1Å; L517-H521 WeakPolarHBondContact O-CB 3.5Å; L517-H521 PolarHBondContact O-N 3.27Å
518Q83.7Confident79Confident25 Ų2586.5 Ų86.512%0.11743%0.425CS..Hα-helixtrans-70.1-38.7178-72.3-163.710.100112.8W177 A180 I514 V516 H521 L522W177-Q518 VanDerWaalsContact CE2-NE2 3.27Å; W177-Q518 HydrophobicContact CH2-CG 4.47Å; W177-Q518 PolarHBondContact O-NE2 3.39Å; A180-Q518 VanDerWaalsContact CB-OE1 3.26Å; A180-Q518 PolarHBondContact O-OE1 3.1Å; I514-Q518 WeakPolarHBondContact O-CB 3.5Å; I514-Q518 WeakPolarHBondContact O-CG 3.36Å; I514-Q518 PolarHBondContact O-N 2.98Å; V516-Q518 PolarHBondContact O-N 3.41Å; Q518-H521 PolarHBondContact O-N 2.58Å; Q518-L522 VanDerWaalsContact O-CB 3.31Å; Q518-L522 WeakPolarHBondContact O-CB 3.4Å; Q518-L522 PolarHBondContact O-N 2.88Å
519N79.6Confident76.4Confident87 Ų8782.2 Ų82.247%0.46541%0.414SS..Hα-helixtrans-63.2-43.6174.1-169.123.7000111F515 V516 H521 L522 I523F515-N519 VanDerWaalsContact O-CB 3.25Å; F515-N519 WeakPolarHBondContact O-CB 3.44Å; F515-N519 PolarHBondContact O-N 3.19Å; V516-N519 PolarHBondContact O-N 3.34Å; N519-H521 PolarHBondContact O-N 2.88Å; N519-L522 PolarHBondContact O-N 3.46Å; N519-I523 WeakPolarHBondContact O-CB 3.25Å; N519-I523 WeakPolarHBondContact O-CD1 3.38Å; N519-I523 VanDerWaalsContact O-CG1 3.22Å; N519-I523 WeakPolarHBondContact O-CG1 3.17Å; N519-I523 PolarHBondContact O-N 3.17Å
520Y78.3Confident73.8Confident140 Ų14083.8 Ų83.855%0.54942%0.418SS..Hα-helixtrans-60.6-45173.6176.5-101.6000112.3V516 L517 L522 I523 R524V516-Y520 WeakPolarHBondContact O-CB 3.41Å; V516-Y520 PolarHBondContact O-N 3.36Å; L517-Y520 PolarHBondContact O-N 3.1Å; Y520-L522 VanDerWaalsContact C-N 3.34Å; Y520-L522 PolarHBondContact O-N 3.09Å; Y520-I523 PolarHBondContact O-N 2.94Å; Y520-R524 VanDerWaalsContact O-CB 3.28Å; Y520-R524 WeakPolarHBondContact O-CB 3.41Å; Y520-R524 PolarHBondContact O-N 2.72Å
521H73Confident70.9Confident130 Ų13090.9 Ų90.960%0.60244%0.439SS*.Hα-helixtrans-65.3-37.4177.6-163.4-69.6000111.9L517 Q518 N519 W525L517-H521 WeakPolarHBondContact O-CB 3.5Å; L517-H521 PolarHBondContact O-N 3.27Å; Q518-H521 PolarHBondContact O-N 2.58Å; N519-H521 PolarHBondContact O-N 2.88Å; H521-W525 WeakPolarHBondContact O-CB 3.17Å; H521-W525 PolarHBondContact O-N 2.66Å
522L66.9Low68.2Low38 Ų3895 Ų9520%0.19947%0.467CS..Hα-helixtrans-65.2-46.3174.2-175.275.8000111.5A184 Q518 N519 Y520 W525 R526A184-L522 HydrophobicContact CB-CD1 4.46Å; A184-L522 HydrophobicContact CB-CD2 3.99Å; Q518-L522 VanDerWaalsContact O-CB 3.31Å; Q518-L522 WeakPolarHBondContact O-CB 3.4Å; Q518-L522 PolarHBondContact O-N 2.88Å; N519-L522 PolarHBondContact O-N 3.46Å; Y520-L522 VanDerWaalsContact C-N 3.34Å; Y520-L522 PolarHBondContact O-N 3.09Å; L522-W525 PolarHBondContact O-N 3.43Å; L522-R526 WeakPolarHBondContact O-CB 3.14Å; L522-R526 WeakPolarHBondContact O-CG 3.43Å; L522-R526 PolarHBondContact O-N 2.85Å
523I61.2Low65.6Low81 Ų81100.2 Ų100.242%0.41548%0.481SS..Hα-helixtrans-60-49.3176.3-72.1164.6000109.8N519 Y520 W525 R526 L527N519-I523 WeakPolarHBondContact O-CB 3.25Å; N519-I523 WeakPolarHBondContact O-CD1 3.38Å; N519-I523 VanDerWaalsContact O-CG1 3.22Å; N519-I523 WeakPolarHBondContact O-CG1 3.17Å; N519-I523 PolarHBondContact O-N 3.17Å; Y520-I523 PolarHBondContact O-N 2.94Å; I523-W525 VanDerWaalsContact C-N 3.33Å; I523-W525 PolarHBondContact O-N 2.98Å; I523-R526 PolarHBondContact O-N 3.06Å; I523-L527 HydrophobicContact CG2-CD1 3.7Å; I523-L527 WeakPolarHBondContact O-CB 3.48Å; I523-L527 PolarHBondContact O-N 3.22Å
524R63.5Low63Low165 Ų165103.6 Ų103.662%0.62349%0.493SS*.Hα-helixtrans-62-37.6177.2-172.8177.2179.7-175.70.2112.4Y520 G528Y520-R524 VanDerWaalsContact O-CB 3.28Å; Y520-R524 WeakPolarHBondContact O-CB 3.41Å; Y520-R524 PolarHBondContact O-N 2.72Å; R524-G528 PolarHBondContact O-N 3.02Å
525W58.8Low60.5Low183 Ų183106.8 Ų106.869%0.69352%0.515SS*.Hα-helixtrans-69-43.7175.8-176.582.7000112H521 L522 I523 L527 G528 G529H521-W525 WeakPolarHBondContact O-CB 3.17Å; H521-W525 PolarHBondContact O-N 2.66Å; L522-W525 PolarHBondContact O-N 3.43Å; I523-W525 VanDerWaalsContact C-N 3.33Å; I523-W525 PolarHBondContact O-N 2.98Å; W525-L527 PolarHBondContact O-N 2.94Å; W525-G528 PolarHBondContact O-N 3.1Å; W525-G529 PolarHBondContact O-N 3.29Å
526R59Low58.2Low157 Ų157111.8 Ų111.859%0.59254%0.539SS*.Hα-helixtrans-61.5-41.6173.5-73.7-178.4180-169.21.9112.1L522 I523 I530L522-R526 WeakPolarHBondContact O-CB 3.14Å; L522-R526 WeakPolarHBondContact O-CG 3.43Å; L522-R526 PolarHBondContact O-N 2.85Å; I523-R526 PolarHBondContact O-N 3.06Å; R526-I530 WeakPolarHBondContact O-CG1 3.28Å
527L51.2Low56Low116 Ų116113.9 Ų113.961%0.60754%0.543SS*.Hα-helixtrans-69.7-35.1174.8-85.2150.2000113I523 W525I523-L527 HydrophobicContact CG2-CD1 3.7Å; I523-L527 WeakPolarHBondContact O-CB 3.48Å; I523-L527 PolarHBondContact O-N 3.22Å; W525-L527 PolarHBondContact O-N 2.94Å
528G45.9Very low53.7Low42 Ų42114 Ų11443%0.43354%0.543SS..Hα-helixtrans-69.4-40.5175.700000113.1R524 W525 I530 R531R524-G528 PolarHBondContact O-N 3.02Å; W525-G528 PolarHBondContact O-N 3.1Å; G528-I530 PolarHBondContact O-N 3.26Å; G528-R531 PolarHBondContact O-N 2.7Å
529G43.3Very low51.4Low28 Ų28120.1 Ų120.129%0.28957%0.573SS.*Hα-helixtrans-60.7-25.6178.800000114.2W525 R531 S532 Y533W525-G529 PolarHBondContact O-N 3.29Å; G529-R531 PolarHBondContact O-N 3.32Å; G529-R531 VanDerWaalsContact O-N 3.15Å; G529-S532 PolarHBondContact O-N 3.37Å; G529-S532 VanDerWaalsContact O-N 3.14Å; G529-Y533 WeakPolarHBondContact O-CD2 3.46Å; G529-Y533 WeakPolarHBondContact O-CE2 3.3Å
530I41.5Very low49.4Very low116 Ų116121.9 Ų121.960%0.59558%0.582SS**THydrogen-bonded Turntrans-61.6-21.4175.1-64.7168.8000112.2R526 G528R526-I530 WeakPolarHBondContact O-CG1 3.28Å; G528-I530 PolarHBondContact O-N 3.26Å
531R36.3Very low47.6Very low240 Ų240118 Ų11891%0.90658%0.575SS**THydrogen-bonded Turntrans-94.11.3177.2-80.8-174.5171-179.2-2.3115.5G528 G529G528-R531 PolarHBondContact O-N 2.7Å; G529-R531 PolarHBondContact O-N 3.32Å; G529-R531 VanDerWaalsContact O-N 3.15Å
532S40.7Very low46Very low89 Ų89114.7 Ų114.762%0.62257%0.571SS**  trans-142.853.8-179.368.20000113.4G529 N534G529-S532 PolarHBondContact O-N 3.37Å; G529-S532 VanDerWaalsContact O-N 3.14Å; S532-N534 PolarHBondContact O-N 3.1Å
533Y38.8Very low44.7Very low177 Ų177116.4 Ų116.469%0.69459%0.59SS**  trans-80.7109168.8-86.6-83000110.8G529G529-Y533 WeakPolarHBondContact O-CD2 3.46Å; G529-Y533 WeakPolarHBondContact O-CE2 3.3Å
534N38.7Very low43.7Very low98 Ų98118.1 Ų118.152%0.52460%0.604SS.*  trans-92.6122.1171.2-172.23.4000109S532 E536 Q537S532-N534 PolarHBondContact O-N 3.1Å; N534-E536 PolarHBondContact O-N 3.17Å; N534-Q537 PolarHBondContact O-N 3.21Å
535P42.1Very low42.4Very low94 Ų94120.5 Ų120.561%0.6161%0.613SS**THydrogen-bonded Turntrans-57.7-23.4-169.317.3-32.2000115.9Q537 I538P535-Q537 VanDerWaalsContact C-N 3.27Å; P535-Q537 PolarHBondContact O-N 3.28Å; P535-I538 WeakPolarHBondContact O-CB 3.4Å; P535-I538 PolarHBondContact O-N 3.21Å; P535-I538 VanDerWaalsContact O-N 3.1Å
536E41.7Very low41.4Very low141 Ų141119.6 Ų119.666%0.65961%0.61SS**Hα-helixtrans-64.2-26.9179.8-63.5-174.1161.700113.9N534 I538 M539 L540N534-E536 PolarHBondContact O-N 3.17Å; E536-I538 PolarHBondContact O-N 3.22Å; E536-M539 PolarHBondContact O-N 2.95Å; E536-L540 PolarHBondContact O-N 2.91Å
537Q42.4Very low40.4Very low137 Ų137116.2 Ų116.264%0.6461%0.607SS**Hα-helixtrans-65.9-25.2174.8-96-175.9-27.500113N534 P535 S541N534-Q537 PolarHBondContact O-N 3.21Å; P535-Q537 VanDerWaalsContact C-N 3.27Å; P535-Q537 PolarHBondContact O-N 3.28Å; Q537-S541 WeakPolarHBondContact O-CB 3.47Å; Q537-S541 PolarHBondContact O-N 3.03Å; Q537-S541 PolarHBondContact O-OG 3.29Å
538I41.1Very low40.1Very low109 Ų109116 Ų11656%0.55962%0.615SS**Hα-helixtrans-71.5-40.1176.7-58.5175.3000109.8P535 E536 S541 A542P535-I538 WeakPolarHBondContact O-CB 3.4Å; P535-I538 PolarHBondContact O-N 3.21Å; P535-I538 VanDerWaalsContact O-N 3.1Å; E536-I538 PolarHBondContact O-N 3.22Å; I538-S541 PolarHBondContact O-OG 2.87Å; I538-A542 WeakPolarHBondContact O-CB 3.24Å; I538-A542 PolarHBondContact O-N 3.39Å
539M35.9Very low39.8Very low155 Ų155123.3 Ų123.376%0.76463%0.629SS**Hα-helixtrans-68.4-42.9-177.9-125.9175.269.900112.4E536 A543E536-M539 PolarHBondContact O-N 2.95Å; M539-A543 WeakPolarHBondContact O-CB 3.36Å; M539-A543 PolarHBondContact O-N 3.44Å; M539-A543 VanDerWaalsContact O-N 3.08Å
540L37.3Very low39.7Very low123 Ų123125.7 Ų125.764%0.64464%0.635SS**Hα-helixtrans-69.4-40.2176.5-82.9159.7000112.7E536 A543 V544E536-L540 PolarHBondContact O-N 2.91Å; L540-A543 PolarHBondContact O-N 2.92Å; L540-V544 WeakPolarHBondContact O-CB 3.37Å; L540-V544 VanDerWaalsContact O-CG2 3.3Å; L540-V544 WeakPolarHBondContact O-CG2 3.38Å; L540-V544 PolarHBondContact O-N 3.48Å
541S40.8Very low39.9Very low58 Ų58123.9 Ų123.941%0.40663%0.63SS.*Hα-helixtrans-72-30.6177.557.20000113.2Q537 I538 R545Q537-S541 WeakPolarHBondContact O-CB 3.47Å; Q537-S541 PolarHBondContact O-N 3.03Å; Q537-S541 PolarHBondContact O-OG 3.29Å; I538-S541 PolarHBondContact O-OG 2.87Å; S541-R545 WeakPolarHBondContact O-CB 3.48Å; S541-R545 VanDerWaalsContact O-CG 3.28Å; S541-R545 WeakPolarHBondContact O-CG 3.21Å; S541-R545 PolarHBondContact O-N 2.92Å
542A39.5Very low40.1Very low62 Ų62115.6 Ų115.651%0.51261%0.608SS.*Hα-helixtrans-69.2-36.5170.900000112.7I538I538-A542 WeakPolarHBondContact O-CB 3.24Å; I538-A542 PolarHBondContact O-N 3.39Å
543A38.8Very low40.4Very low74 Ų74115.4 Ų115.461%0.61260%0.599SS**Hα-helixtrans-72.5-36.5177.100000113.2M539 L540M539-A543 WeakPolarHBondContact O-CB 3.36Å; M539-A543 PolarHBondContact O-N 3.44Å; M539-A543 VanDerWaalsContact O-N 3.08Å; L540-A543 PolarHBondContact O-N 2.92Å
544V40.2Very low40.4Very low117 Ų117111.8 Ų111.871%0.70959%0.59SS**Hα-helixtrans-77.5-21.3-179.6171.80000112.7L540 R546L540-V544 WeakPolarHBondContact O-CB 3.37Å; L540-V544 VanDerWaalsContact O-CG2 3.3Å; L540-V544 WeakPolarHBondContact O-CG2 3.38Å; L540-V544 PolarHBondContact O-N 3.48Å; V544-R546 PolarHBondContact O-N 3.02Å; V544-R546 VanDerWaalsContact O-N 3.1Å
545R36.9Very low40.6Very low215 Ų215114 Ų11481%0.81160%0.595SS**SBendtrans-82.238.6177.1-75.4-178.1-179.8-166.31.7114.6S541S541-R545 WeakPolarHBondContact O-CB 3.48Å; S541-R545 VanDerWaalsContact O-CG 3.28Å; S541-R545 WeakPolarHBondContact O-CG 3.21Å; S541-R545 PolarHBondContact O-N 2.92Å
546R36.6Very low40.9Very low163 Ų163115.4 Ų115.462%0.61559%0.594SS**SBendtrans-122.8137167.3-72.8-169.9178.1178.50.6110.6V544V544-R546 PolarHBondContact O-N 3.02Å; V544-R546 VanDerWaalsContact O-N 3.1Å
547T38.9Very low41.1Very low87 Ų87116.3 Ų116.353%0.53460%0.595SS.*  trans-71150.5-178.672.30000109.6R549 D550T547-R549 PolarHBondContact O-N 3.32Å; T547-D550 PolarHBondContact N-OD2 3.27Å; T547-D550 PolarHBondContact O-N 3.08Å; T547-D550 PolarHBondContact OG1-OD2 3.08Å
548S45Very low41.2Very low110 Ų110114.6 Ų114.677%0.76959%0.59SS**Hα-helixtrans-60.8-21-175.660.20000113.7V551 S552S548-V551 PolarHBondContact O-N 3.15Å; S548-S552 PolarHBondContact O-N 3.25Å
549R40.1Very low41.5Very low197 Ų197114 Ų11474%0.74359%0.587SS**Hα-helixtrans-63.7-39.7170.8-108.6177.5169.4158.6-3.2113.1T547 V551 S552 I553T547-R549 PolarHBondContact O-N 3.32Å; R549-V551 VanDerWaalsContact C-N 3.28Å; R549-V551 PolarHBondContact O-N 3Å; R549-S552 PolarHBondContact O-N 2.95Å; R549-S552 PolarHBondContact O-OG 3.19Å; R549-I553 WeakPolarHBondContact O-CD1 3.5Å; R549-I553 WeakPolarHBondContact O-CG1 3.41Å; R549-I553 PolarHBondContact O-N 3.4Å
550D39.8Very low41.9Very low77 Ų77114 Ų11441%0.41258%0.583SS.*Hα-helixtrans-69.8-31.7-179.4-55.1-53.9000111.3T547 M554T547-D550 PolarHBondContact N-OD2 3.27Å; T547-D550 PolarHBondContact O-N 3.08Å; T547-D550 PolarHBondContact OG1-OD2 3.08Å; D550-M554 PolarHBondContact O-N 3.44Å
551V46.4Very low42.1Very low79 Ų79110.9 Ų110.948%0.47957%0.571SS.*Hα-helixtrans-72.7-34.1177.9-175.50000111.8S548 R549 K555S548-V551 PolarHBondContact O-N 3.15Å; R549-V551 VanDerWaalsContact C-N 3.28Å; R549-V551 PolarHBondContact O-N 3Å; V551-K555 PolarHBondContact O-N 3.21Å
552S41.2Very low42.1Very low65 Ų65115.9 Ų115.946%0.45559%0.588SS.*Hα-helixtrans-68.6-41.9174.761.30000112S548 R549 M554 K555 E556S548-S552 PolarHBondContact O-N 3.25Å; R549-S552 PolarHBondContact O-N 2.95Å; R549-S552 PolarHBondContact O-OG 3.19Å; S552-M554 VanDerWaalsContact C-N 3.31Å; S552-M554 PolarHBondContact O-N 3.05Å; S552-K555 PolarHBondContact O-N 3.19Å; S552-K555 VanDerWaalsContact O-N 3.15Å; S552-E556 PolarHBondContact O-N 3.12Å; S552-E556 VanDerWaalsContact O-N 3.08Å
553I46.3Very low42.2Very low85 Ų85119 Ų11944%0.43660%0.595SS.*Hα-helixtrans-64.6-35.6178.8-63.5164.4000111.3R549 K557R549-I553 WeakPolarHBondContact O-CD1 3.5Å; R549-I553 WeakPolarHBondContact O-CG1 3.41Å; R549-I553 PolarHBondContact O-N 3.4Å; I553-K557 PolarHBondContact O-N 3.48Å; I553-K557 VanDerWaalsContact O-N 3.12Å
554M39Very low42.2Very low101 Ų101119.9 Ų119.950%0.49860%0.597SS.*Hα-helixtrans-68.9-35.2173.6-106.6-175.569.400113.2D550 S552 K557 L558D550-M554 PolarHBondContact O-N 3.44Å; S552-M554 VanDerWaalsContact C-N 3.31Å; S552-M554 PolarHBondContact O-N 3.05Å; M554-K557 PolarHBondContact O-N 3.46Å; M554-L558 HydrophobicContact CE-CD1 4.49Å; M554-L558 PolarHBondContact O-N 3.11Å
555K43.7Very low42Very low144 Ų144121.7 Ų121.763%0.62660%0.602SS**Hα-helixtrans-66.6-43.1174.8-82.8-168.7170.7-1700112.1V551 S552 K557 L558 I559V551-K555 PolarHBondContact O-N 3.21Å; S552-K555 PolarHBondContact O-N 3.19Å; S552-K555 VanDerWaalsContact O-N 3.15Å; K555-K557 VanDerWaalsContact C-N 3.35Å; K555-K557 PolarHBondContact O-N 3.32Å; K555-L558 PolarHBondContact O-N 3.4Å; K555-I559 WeakPolarHBondContact O-CD1 3.44Å; K555-I559 VanDerWaalsContact O-CG1 3.28Å; K555-I559 WeakPolarHBondContact O-CG1 3.28Å; K555-I559 PolarHBondContact O-N 3.17Å; K555-I559 VanDerWaalsContact O-N 3.11Å
556E47.8Very low42.1Very low125 Ų125114.4 Ų114.458%0.58460%0.595SS**Hα-helixtrans-58.9-45.9172.9-83.1-17914100111.5S552 L558 I559 F560S552-E556 PolarHBondContact O-N 3.12Å; S552-E556 VanDerWaalsContact O-N 3.08Å; E556-L558 PolarHBondContact O-N 3.17Å; E556-I559 PolarHBondContact O-N 3.05Å; E556-F560 WeakPolarHBondContact O-CD2 3.4Å; E556-F560 PolarHBondContact O-N 3.38Å
557K44.5Very low41.8Very low159 Ų159113 Ų11369%0.69160%0.604SS**Hα-helixtrans-65.3-34-179.9-75.3-164.1173-165.10114.4I553 M554 K555 S561I553-K557 PolarHBondContact O-N 3.48Å; I553-K557 VanDerWaalsContact O-N 3.12Å; M554-K557 PolarHBondContact O-N 3.46Å; K555-K557 VanDerWaalsContact C-N 3.35Å; K555-K557 PolarHBondContact O-N 3.32Å; K557-S561 PolarHBondContact O-N 3.2Å; K557-S561 PolarHBondContact O-OG 3.46Å
558L45.1Very low41.4Very low101 Ų101118 Ų11853%0.52962%0.621SS.*Hα-helixtrans-71.5-38.1175.8-80.4162.7000112.4M554 K555 E556 F560 S561 E562M554-L558 HydrophobicContact CE-CD1 4.49Å; M554-L558 PolarHBondContact O-N 3.11Å; K555-L558 PolarHBondContact O-N 3.4Å; E556-L558 PolarHBondContact O-N 3.17Å; L558-F560 VanDerWaalsContact C-N 3.31Å; L558-F560 PolarHBondContact O-N 2.84Å; L558-S561 WeakPolarHBondContact CA-OG 3.46Å; L558-S561 PolarHBondContact O-N 3.31Å; L558-S561 PolarHBondContact O-OG 3.26Å; L558-E562 PolarHBondContact O-N 3.41Å
559I47.6Very low40.6Very low98 Ų98119.2 Ų119.250%0.50362%0.624SS.*Hα-helixtrans-65-36.4175.2-66.9164.6000110.8K555 E556 I563K555-I559 WeakPolarHBondContact O-CD1 3.44Å; K555-I559 VanDerWaalsContact O-CG1 3.28Å; K555-I559 WeakPolarHBondContact O-CG1 3.28Å; K555-I559 PolarHBondContact O-N 3.17Å; K555-I559 VanDerWaalsContact O-N 3.11Å; E556-I559 PolarHBondContact O-N 3.05Å; I559-I563 HydrophobicContact CG2-CD1 4.17Å; I559-I563 WeakPolarHBondContact O-CD1 3.37Å; I559-I563 WeakPolarHBondContact O-CG1 3.41Å
560F43.4Very low40Very low154 Ų154114.4 Ų114.468%0.67562%0.62SS**Hα-helixtrans-74.4-24.7176.1-88.4-74.7000114.8E556 L558E556-F560 WeakPolarHBondContact O-CD2 3.4Å; E556-F560 PolarHBondContact O-N 3.38Å; L558-F560 VanDerWaalsContact C-N 3.31Å; L558-F560 PolarHBondContact O-N 2.84Å
561S42.2Very low39.5Very low57 Ų57117.9 Ų117.940%0.39964%0.639SS.*Hα-helixtrans-74.3-38.3170.646.40000112.5K557 L558 I563 S564K557-S561 PolarHBondContact O-N 3.2Å; K557-S561 PolarHBondContact O-OG 3.46Å; L558-S561 WeakPolarHBondContact CA-OG 3.46Å; L558-S561 PolarHBondContact O-N 3.31Å; L558-S561 PolarHBondContact O-OG 3.26Å; S561-I563 PolarHBondContact O-N 3.17Å; S561-S564 PolarHBondContact O-N 3.26Å; S561-S564 VanDerWaalsContact O-N 3.09Å
562E40.6Very low38.7Very low164 Ų164119.9 Ų119.977%0.76665%0.651SS**Hα-helixtrans-71.2-16.9-176.3-162.5167-166.700113.3L558L558-E562 PolarHBondContact O-N 3.41Å
563I43Very low38Very low126 Ų126124.1 Ų124.165%0.64667%0.668SS**THydrogen-bonded Turntrans-84.9-14.5174.1-65.5166.9000112I559 S561I559-I563 HydrophobicContact CG2-CD1 4.17Å; I559-I563 WeakPolarHBondContact O-CD1 3.37Å; I559-I563 WeakPolarHBondContact O-CG1 3.41Å; S561-I563 PolarHBondContact O-N 3.17Å
564S37.5Very low37Very low94 Ų94124.8 Ų124.866%0.65768%0.68SS**THydrogen-bonded Turntrans-91.9-23.3-174.5-167.70000114.9S561 G566S561-S564 PolarHBondContact O-N 3.26Å; S561-S564 VanDerWaalsContact O-N 3.09Å; S564-G566 VanDerWaalsContact C-N 3.25Å; S564-G566 PolarHBondContact O-N 3.09Å
565D37.1Very low36.3Very low154 Ų154126.2 Ų126.282%0.82469%0.694SS**SBendtrans-9130.3-173.7-73.4-20.7000113
566G37.8Very low35.5Very low63 Ų63125 Ų12565%0.64970%0.702SS**  trans-115.313-163.400000117.9S564S564-G566 VanDerWaalsContact C-N 3.25Å; S564-G566 PolarHBondContact O-N 3.09Å
567V30.3Very low34.5Very low132 Ų132124.3 Ų124.380%0.871%0.711SS**  trans-144.6107176.7-173.60000112.4V569V567-V569 HydrophobicContact CG1-CG2 4.35Å
568E30.2Very low33.7Very low194 Ų194123.4 Ų123.491%0.90771%0.714SS**  trans-88.5128.5157-84.5-172.8135.800110.1
569V28.6Very low32.9Very low135 Ų135126.3 Ų126.382%0.81873%0.73SS**  trans-143.3140.6152-179.30000108.9V567V567-V569 HydrophobicContact CG1-CG2 4.35Å
570S28Very low31.9Very low96 Ų96125.4 Ų125.467%0.67173%0.732SS**  trans-85164.9-163.2-38.30000116.7
571D29.1Very low31.2Very low150 Ų150128 Ų12880%0.80274%0.739SS**  trans87.7118.4138.7-78-20.4000123.4
572V29.1Very low30.6Very low121 Ų121131.4 Ų131.473%0.73375%0.753SS**  108.3113126.8165.40000121.4
573L27.1Very low30.1Very low154 Ų154129.2 Ų129.281%0.80675%0.751SS**  trans65.5114.9151.7-97.285.2000124.2
574S24.4Very low29.4Very low99 Ų99133.9 Ų133.969%0.69276%0.762SS**  69.8117.5115.1-160.70000121.8
575V25.4Very low29Very low131 Ų131133.5 Ų133.579%0.79477%0.765SS**  176.9153.6103.6157.40000110.3
576C26.1Very low28.7Very low118 Ų118133.6 Ų133.680%0.79777%0.765SS**  trans-45.5169.3174.7-45.70000115.8
577S27.3Very low28.3Very low110 Ų110135.3 Ų135.377%0.76977%0.767SS**  cis-165.3167.734.754.50000114.5
578D28.4Very low28.3Very low141 Ų141135.4 Ų135.475%0.75477%0.768SS**  trans-58.4154.7172.6-51.8-83.1000114.7
579N27.8Very low28.2Very low161 Ų161130.9 Ų130.986%0.86176%0.764SS**  -166.5142.6109.3-106.1-34.4000115
580S26.8Very low28.4Very low80 Ų80130.7 Ų130.756%0.55976%0.763SS**  trans-78.2151.1165.3-1780000110.7
581Y28.4Very low29.6Very low208 Ų208131.4 Ų131.482%0.81677%0.766SS**  172.9149.7112.5-99.3-73.2000114.1
582D30.1Very low29.7Very low128 Ų128130.7 Ų130.768%0.68477%0.766SS**  trans-56.8175.6-176.5-57.1-76.9000118.1
583T29Very low29.7Very low119 Ų119127.8 Ų127.873%0.7376%0.761SS**  136.496.7116.3-310000116.1
584Y29.4Very low30.7Very low224 Ų224126 Ų12688%0.87876%0.759SS**  trans58.8145.8135.6-82.2-101000126.9
585A29.7Very low31Very low86 Ų86133 Ų13371%0.71177%0.77SS**  trans97.1109.7133.700000122.3
586N29.2Very low31.1Very low156 Ų156130.8 Ų130.883%0.83477%0.774SS**  trans-6.2146.1131.9-62.6-22.6000116.3
587S29.8Very low31.2Very low99 Ų99129.3 Ų129.369%0.69278%0.778SS**  -179.6148.558.450.50000115.1
588T29.4Very low31.4Very low134 Ų134128.2 Ų128.282%0.82278%0.784SS**  trans61.7145.3141.852.40000124.4
589A30Very low31.5Very low98 Ų98127 Ų12781%0.8179%0.787SS**  trans98.8114.4145.800000120
590T32.1Very low31.9Very low132 Ų132131.3 Ų131.381%0.8179%0.791SS**  trans-70.8179.8154.148.20000110.1
591P52.8Low32.2Very low111 Ų111131.6 Ų131.672%0.72180%0.798SS**  cis-145.8-155.519.636.2-10.2000116.3
592V31.6Very low32.5Very low135 Ų135131 Ų13182%0.81880%0.8SS**  trans100.9122.9158.7-170.20000117.1
593G28.4Very low32.6Very low60 Ų60130.5 Ų130.562%0.61980%0.802SS**  trans-93.6-149.5165.400000111.5
594P48.1Very low32.8Very low117 Ų117131.8 Ų131.876%0.7680%0.803SS**  cis-139.2-164.83.242.4-23000114.6
595R30.5Very low33.2Very low245 Ų245127.6 Ų127.693%0.92580%0.801SS**  trans81.6144.1154-77.1177.2173.6-176.9-1.3121.2
596G28.9Very low33.7Very low85 Ų85132.2 Ų132.288%0.87681%0.808SS**  trans95.6127.1167.400000113
597G27.6Very low34.2Very low87 Ų87136.7 Ų136.790%0.89781%0.813SS**  cis142.8104.62.100000109.4
598G31.8Very low34.8Very low87 Ų87137.7 Ų137.790%0.89782%0.821SS**  trans-165105.5-173.500000112.8
599S30.4Very low35.6Very low116 Ų116134.5 Ų134.581%0.81181%0.814SS**  trans-95.2136.7-175.7166.20000112.4
600R35.4Very low36.3Very low251 Ų251145.4 Ų145.495%0.94783%0.834SS**  trans-155.3133139.2-133.8171.3-179.3173.1-0.6112
601A33.3Very low36.5Very low85 Ų85146.1 Ų146.170%0.70284%0.835SS**  trans-109.5173.9-171.400000114
602K34.5Very low35.7Very low195 Ų195147.9 Ų147.985%0.84884%0.842SS**  trans88.7136.8168.1-57.8-171.7179.6-177.40116.4
603T32.7Very low35.9Very low119 Ų119148.7 Ų148.773%0.7384%0.843SS**  cis-160.1148.1-10.114.70000113.5
604L34.4Very low36.4Very low145 Ų145153.9 Ų153.976%0.75986%0.856SS**  trans9.4128.6134.7-88.6155.5000119.6
605T36.6Very low35.6Very low137 Ų137156.2 Ų156.284%0.8486%0.862SS**  -175.9145.594.821.90000113.2
606E40.9Very low36Very low183 Ų183150.3 Ų150.386%0.85586%0.858SS**  trans-72.2160.5163.5-61.916610300111.4
607R39.6Very low36.5Very low249 Ų249154.9 Ų154.994%0.9486%0.857SS**  trans-150.8116.2144-134.7178-174.3179.52.2113.7
608S42.3Very low37.2Very low121 Ų121160.2 Ų160.285%0.84685%0.853SS**  trans-73.4153.2157.6168.10000110.3
609G45.7Very low37.6Very low66 Ų66166.3 Ų166.368%0.6885%0.85SS**  trans168.392.8165.300000117.9
610R45.5Very low38.3Very low328 Ų328170.8 Ų170.8100%1.23885%0.853SS**  trans77.60162.7-60.5-176.1179-178.3-0.5117.9

Retrieved 610 of 610 residues in 143.3 ms (Link to these results)

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