A0A096NXB1_PAPAN Loading...

Geranylgeranyl transferase type-2 subunit alpha

Catalyzes the transfer of a geranyl-geranyl moiety from geranyl-geranyl pyrophosphate to cysteines occuring in specific C-terminal amino acid sequences. Catalyzes the transfer of a geranylgeranyl moiety from geranylgeranyl diphosphate to both cysteines of Rab proteins with the C-terminal sequence -XXCC, -XCXC and -CCXX, such as RAB1A, RAB3A, RAB5A and RAB7A.

AlphaFold DB , UniProt , Accession A0A096NXB1, Species PAPAN (Papio anubis, Olive baboon), Gene RABGGTA, Length 567 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
1M58.8Low72.7Confident211 Ų211151.5 Ų151.5100%1.03977%0.765SS**  0-17.60-74.3-69.2-87.300113.4
2H65.4Low72.7Confident182 Ų182152.9 Ų152.984%0.84377%0.767SS**  trans-94.9156.8-176-54.3-67.1000113.5R4H2-R4 PolarHBondContact O-N 3.01Å; H2-R4 VanDerWaalsContact O-N 3.13Å
3G68.1Low73Confident81 Ų81149.8 Ų149.884%0.83575%0.749SS**SBendtrans69.16.816900000116.9L5G3-L5 PolarHBondContact O-N 3.37Å; G3-L5 VanDerWaalsContact O-N 3.12Å
4R75.4Confident73.4Confident212 Ų212142.2 Ų142.280%0.872%0.721SS**  trans-78.199.1179.6-69.1-166.7177.1-1770.8110.9H2 K6H2-R4 PolarHBondContact O-N 3.01Å; H2-R4 VanDerWaalsContact O-N 3.13Å; R4-K6 PolarHBondContact O-N 3.08Å
5L76.4Confident74Confident159 Ų159137.3 Ų137.383%0.83269%0.694SS**  trans-58.9132.6171.5-76.9155.1000110.6G3 V7G3-L5 PolarHBondContact O-N 3.37Å; G3-L5 VanDerWaalsContact O-N 3.12Å; L5-V7 PolarHBondContact O-N 3.21Å; L5-V7 VanDerWaalsContact O-N 3.08Å
6K77.2Confident74.4Confident210 Ų210132.6 Ų132.691%0.91368%0.682SS**  trans-74.798.7173.6-171.8176.3-178.1177.30108.7R4R4-K6 PolarHBondContact O-N 3.08Å
7V79.1Confident74.8Confident104 Ų104130.9 Ų130.963%0.6367%0.669SS**  trans-87.5130.6175.9-174.40000109.2L5 T9L5-V7 PolarHBondContact O-N 3.21Å; L5-V7 VanDerWaalsContact O-N 3.08Å; V7-T9 HydrophobicContact CG1-CG2 4.21Å; V7-T9 PolarHBondContact O-N 3.18Å
8K70.1Confident75.4Confident212 Ų212130.8 Ų130.892%0.92266%0.659SS**  trans-74.1103.7167-71-175.8179.8-179.70108
9T75.9Confident75.8Confident60 Ų60128.4 Ų128.437%0.36865%0.648SS.*  trans-97.9143.3175.145.90000110.2V7V7-T9 HydrophobicContact CG1-CG2 4.21Å; V7-T9 PolarHBondContact O-N 3.18Å
10S78.5Confident76.3Confident58 Ų58126.9 Ų126.941%0.40664%0.638SS.*  trans-64.6158.6169.764.50000110.9E12 Q13 A14S10-E12 VanDerWaalsContact C-N 3.29Å; S10-E12 PolarHBondContact O-N 3.5Å; S10-Q13 PolarHBondContact O-N 3.38Å; S10-Q13 VanDerWaalsContact OG-CG 3.31Å; S10-Q13 WeakPolarHBondContact OG-CG 3.46Å; S10-Q13 PolarHBondContact OG-N 3.05Å; S10-A14 WeakPolarHBondContact O-CB 3.46Å; S10-A14 PolarHBondContact O-N 2.84Å
11E74.7Confident76.8Confident178 Ų178128.8 Ų128.883%0.83264%0.638SS**Hα-helixtrans-57.9-41.5179.9-70.6-176.2163.100111.9Q13 A14 E15E11-Q13 PolarHBondContact O-N 3.08Å; E11-A14 PolarHBondContact O-N 3.23Å; E11-E15 WeakPolarHBondContact O-CB 3.39Å; E11-E15 PolarHBondContact O-N 3.09Å
12E72.9Confident78.2Confident168 Ų168123.5 Ų123.579%0.78561%0.611SS**Hα-helixtrans-63.5-41176.9-66.4179.7166.200113.1S10 E15 A16S10-E12 VanDerWaalsContact C-N 3.29Å; S10-E12 PolarHBondContact O-N 3.5Å; E12-E15 PolarHBondContact O-N 3.34Å; E12-A16 WeakPolarHBondContact O-CB 3.37Å; E12-A16 PolarHBondContact O-N 3.46Å
13Q76.9Confident79.1Confident113 Ų113121.4 Ų121.453%0.52860%0.601SS.*Hα-helixtrans-72-32.7177.4-72176.5-5.600112.3S10 E11 K17S10-Q13 PolarHBondContact O-N 3.38Å; S10-Q13 VanDerWaalsContact OG-CG 3.31Å; S10-Q13 WeakPolarHBondContact OG-CG 3.46Å; S10-Q13 PolarHBondContact OG-N 3.05Å; E11-Q13 PolarHBondContact O-N 3.08Å; Q13-K17 WeakPolarHBondContact O-CB 3.22Å; Q13-K17 WeakPolarHBondContact O-CG 3.42Å; Q13-K17 PolarHBondContact O-N 2.84Å; Q13-K17 VanDerWaalsContact O-N 3.15Å
14A78.8Confident79.9Confident43 Ų43123.6 Ų123.636%0.35559%0.588SS.*Hα-helixtrans-67.6-42.1174.300000110.8S10 E11 K17 R18S10-A14 WeakPolarHBondContact O-CB 3.46Å; S10-A14 PolarHBondContact O-N 2.84Å; E11-A14 PolarHBondContact O-N 3.23Å; A14-K17 PolarHBondContact O-N 3.25Å; A14-R18 WeakPolarHBondContact O-CB 3.13Å; A14-R18 PolarHBondContact O-N 2.82Å
15E81Confident80.6Confident68 Ų68117.8 Ų117.832%0.31857%0.572SS.*Hα-helixtrans-65.6-46.4177.9-171.856.8-149.200111.9E11 E12 K17 R18 L19E11-E15 WeakPolarHBondContact O-CB 3.39Å; E11-E15 PolarHBondContact O-N 3.09Å; E12-E15 PolarHBondContact O-N 3.34Å; E15-K17 PolarHBondContact O-N 3.29Å; E15-R18 VanDerWaalsContact CD-CZ 3.45Å; E15-R18 WeakPolarHBondContact O-CB 3.29Å; E15-R18 PolarHBondContact O-N 3.2Å; E15-R18 VanDerWaalsContact O-N 3.09Å; E15-R18 IonicContact OE1-CZ 3.96Å; E15-R18 VanDerWaalsContact OE1-CZ 3.22Å; E15-R18 IonicContact OE1-NE 3.97Å; E15-R18 PolarHBondContact OE1-NE 3.13Å; E15-R18 IonicContact OE1-NH2 3.68Å; E15-R18 PolarHBondContact OE1-NH2 3.48Å; E15-R18 IonicContact OE2-CZ 3.72Å; E15-R18 IonicContact OE2-NE 2.76Å; E15-R18 PolarHBondContact OE2-NE 3.41Å; E15-R18 IonicContact OE2-NH1 3.66Å; E15-R18 PolarHBondContact OE2-NH1 2.99Å; E15-R18 IonicContact OE2-NH2 3.69Å; E15-R18 PolarHBondContact OE2-NH2 3.02Å; E15-L19 WeakPolarHBondContact O-CG 3.38Å; E15-L19 PolarHBondContact O-N 3.28Å
16A80.8Confident81.2Confident62 Ų62117.7 Ų117.751%0.51257%0.565SS.*Hα-helixtrans-59.8-43.9175.600000112.2E12 R18 L19 E20E12-A16 WeakPolarHBondContact O-CB 3.37Å; E12-A16 PolarHBondContact O-N 3.46Å; A16-R18 VanDerWaalsContact C-N 3.31Å; A16-R18 PolarHBondContact O-N 3.4Å; A16-L19 PolarHBondContact O-N 3.19Å; A16-E20 PolarHBondContact O-N 2.95Å; A16-E20 VanDerWaalsContact O-N 3.07Å
17K82.3Confident81.6Confident104 Ų104113.4 Ų113.445%0.45255%0.551SS.*Hα-helixtrans-66.7-30.5174.9-79.1-179.1178.2175.10112.9Q13 A14 E15 R21Q13-K17 WeakPolarHBondContact O-CB 3.22Å; Q13-K17 WeakPolarHBondContact O-CG 3.42Å; Q13-K17 PolarHBondContact O-N 2.84Å; Q13-K17 VanDerWaalsContact O-N 3.15Å; A14-K17 PolarHBondContact O-N 3.25Å; E15-K17 PolarHBondContact O-N 3.29Å; K17-R21 WeakPolarHBondContact O-CB 3.28Å; K17-R21 WeakPolarHBondContact O-CD 3.23Å; K17-R21 WeakPolarHBondContact O-CG 3.19Å; K17-R21 PolarHBondContact O-N 3.28Å; K17-R21 VanDerWaalsContact O-N 3.13Å
18R85.2Confident82.1Confident130 Ų130111.6 Ų111.649%0.49153%0.534SS..Hα-helixtrans-65.9-51.6175.2-176.4177.974-176.19.8110.2A14 E15 A16 E20 R21 E22A14-R18 WeakPolarHBondContact O-CB 3.13Å; A14-R18 PolarHBondContact O-N 2.82Å; E15-R18 VanDerWaalsContact CD-CZ 3.45Å; E15-R18 WeakPolarHBondContact O-CB 3.29Å; E15-R18 PolarHBondContact O-N 3.2Å; E15-R18 VanDerWaalsContact O-N 3.09Å; E15-R18 IonicContact OE1-CZ 3.96Å; E15-R18 VanDerWaalsContact OE1-CZ 3.22Å; E15-R18 IonicContact OE1-NE 3.97Å; E15-R18 PolarHBondContact OE1-NE 3.13Å; E15-R18 IonicContact OE1-NH2 3.68Å; E15-R18 PolarHBondContact OE1-NH2 3.48Å; E15-R18 IonicContact OE2-CZ 3.72Å; E15-R18 IonicContact OE2-NE 2.76Å; E15-R18 PolarHBondContact OE2-NE 3.41Å; E15-R18 IonicContact OE2-NH1 3.66Å; E15-R18 PolarHBondContact OE2-NH1 2.99Å; E15-R18 IonicContact OE2-NH2 3.69Å; E15-R18 PolarHBondContact OE2-NH2 3.02Å; A16-R18 VanDerWaalsContact C-N 3.31Å; A16-R18 PolarHBondContact O-N 3.4Å; R18-E20 VanDerWaalsContact C-N 3.33Å; R18-E20 PolarHBondContact O-N 3.13Å; R18-R21 PolarHBondContact O-N 3.22Å; R18-R21 VanDerWaalsContact O-N 3.11Å; R18-E22 HydrophobicContact CG-CG 4.48Å; R18-E22 WeakPolarHBondContact CG-OE1 3.43Å; R18-E22 IonicContact NE-OE1 2.61Å; R18-E22 WeakPolarHBondContact O-CG 3.41Å; R18-E22 PolarHBondContact O-N 3.28Å
19L83.5Confident83.2Confident85 Ų85106.2 Ų106.245%0.44551%0.512SS..Hα-helixtrans-59.4-42.7179.1-68.7169.4000112E15 A16 R21 E22 Q23E15-L19 WeakPolarHBondContact O-CG 3.38Å; E15-L19 PolarHBondContact O-N 3.28Å; A16-L19 PolarHBondContact O-N 3.19Å; L19-R21 VanDerWaalsContact C-N 3.35Å; L19-R21 PolarHBondContact O-N 3.11Å; L19-E22 PolarHBondContact O-N 3.24Å; L19-Q23 WeakPolarHBondContact O-CG 3.45Å; L19-Q23 PolarHBondContact O-N 3.15Å
20E84.6Confident83.9Confident97 Ų97106.3 Ų106.345%0.45352%0.515SS..Hα-helixtrans-61.2-42.5175.4-169-164.4161.900112A16 R18 K24A16-E20 PolarHBondContact O-N 2.95Å; A16-E20 VanDerWaalsContact O-N 3.07Å; R18-E20 VanDerWaalsContact C-N 3.33Å; R18-E20 PolarHBondContact O-N 3.13Å; E20-K24 WeakPolarHBondContact O-CG 3.32Å; E20-K24 PolarHBondContact O-N 2.81Å; E20-K24 VanDerWaalsContact O-N 3.11Å; E20-K24 VanDerWaalsContact OE1-CE 3.31Å; E20-K24 WeakPolarHBondContact OE1-CE 3.41Å; E20-K24 IonicContact OE1-NZ 3.43Å; E20-K24 PolarHBondContact OE1-NZ 3.45Å
21R86.4Confident84.6Confident167 Ų167104 Ų10463%0.6350%0.499SS*.Hα-helixtrans-67.7-38.9177.9-75.7172-178.9-1802.7112.3K17 R18 L19 K24 L25K17-R21 WeakPolarHBondContact O-CB 3.28Å; K17-R21 WeakPolarHBondContact O-CD 3.23Å; K17-R21 WeakPolarHBondContact O-CG 3.19Å; K17-R21 PolarHBondContact O-N 3.28Å; K17-R21 VanDerWaalsContact O-N 3.13Å; R18-R21 PolarHBondContact O-N 3.22Å; R18-R21 VanDerWaalsContact O-N 3.11Å; L19-R21 VanDerWaalsContact C-N 3.35Å; L19-R21 PolarHBondContact O-N 3.11Å; R21-K24 PolarHBondContact O-N 2.77Å; R21-L25 WeakPolarHBondContact O-CB 3.49Å; R21-L25 PolarHBondContact O-N 2.89Å
22E89.2Confident85.5Confident101 Ų10196.3 Ų96.347%0.47246%0.464SS..Hα-helixtrans-63.9-42177.4-75.7174-175.300111.6R18 L19 L25 K26R18-E22 HydrophobicContact CG-CG 4.48Å; R18-E22 WeakPolarHBondContact CG-OE1 3.43Å; R18-E22 IonicContact NE-OE1 2.61Å; R18-E22 WeakPolarHBondContact O-CG 3.41Å; R18-E22 PolarHBondContact O-N 3.28Å; L19-E22 PolarHBondContact O-N 3.24Å; E22-L25 PolarHBondContact O-N 3.45Å; E22-K26 WeakPolarHBondContact O-CB 3.45Å; E22-K26 PolarHBondContact O-N 2.82Å
23Q83.7Confident86.5Confident138 Ų13894.1 Ų94.165%0.64545%0.454SS*.Hα-helixtrans-62.4-47.2174.5-71.1178.40.600111.8L19 L25 K26 L27L19-Q23 WeakPolarHBondContact O-CG 3.45Å; L19-Q23 PolarHBondContact O-N 3.15Å; Q23-L25 VanDerWaalsContact C-N 3.33Å; Q23-L25 PolarHBondContact O-N 2.96Å; Q23-K26 PolarHBondContact O-N 2.92Å; Q23-L27 PolarHBondContact O-N 2.92Å
24K85.3Confident87.4Confident126 Ų12690.1 Ų90.155%0.54844%0.441SS..Hα-helixtrans-62.6-39.5176-72.2-179.1-174.2174.30112.1E20 R21 L27 Y28E20-K24 WeakPolarHBondContact O-CG 3.32Å; E20-K24 PolarHBondContact O-N 2.81Å; E20-K24 VanDerWaalsContact O-N 3.11Å; E20-K24 VanDerWaalsContact OE1-CE 3.31Å; E20-K24 WeakPolarHBondContact OE1-CE 3.41Å; E20-K24 IonicContact OE1-NZ 3.43Å; E20-K24 PolarHBondContact OE1-NZ 3.45Å; R21-K24 PolarHBondContact O-N 2.77Å; K24-L27 PolarHBondContact O-N 2.79Å; K24-Y28 WeakPolarHBondContact O-CB 3.35Å; K24-Y28 PolarHBondContact O-N 2.89Å
25L90.5Very high88.3Confident90 Ų9088.1 Ų88.147%0.47142%0.424SS..Hα-helixtrans-64.8-41.1178.1-17864.6000111.5R21 E22 Q23 Y28 Q29R21-L25 WeakPolarHBondContact O-CB 3.49Å; R21-L25 PolarHBondContact O-N 2.89Å; E22-L25 PolarHBondContact O-N 3.45Å; Q23-L25 VanDerWaalsContact C-N 3.33Å; Q23-L25 PolarHBondContact O-N 2.96Å; L25-Y28 WeakPolarHBondContact O-CB 3.36Å; L25-Y28 PolarHBondContact O-N 2.87Å; L25-Q29 HydrophobicContact CD1-CG 4.38Å; L25-Q29 HydrophobicContact CG-CG 4.44Å; L25-Q29 WeakPolarHBondContact O-CB 3.07Å; L25-Q29 VanDerWaalsContact O-CG 3.28Å; L25-Q29 WeakPolarHBondContact O-CG 3.35Å; L25-Q29 PolarHBondContact O-N 3.41Å
26K89.3Confident89Confident157 Ų15788 Ų8868%0.68342%0.423SS*.Hα-helixtrans-61.5-45.7177.5-170.9177.1179.8179.80111.6E22 Q23 Q29 S30E22-K26 WeakPolarHBondContact O-CB 3.45Å; E22-K26 PolarHBondContact O-N 2.82Å; Q23-K26 PolarHBondContact O-N 2.92Å; K26-Q29 PolarHBondContact O-N 3.35Å; K26-S30 PolarHBondContact O-N 3.25Å; K26-S30 PolarHBondContact O-OG 2.99Å
27L84.1Confident89.8Confident121 Ų12191.1 Ų91.163%0.63443%0.426SS*.Hα-helixtrans-62.2-43.1175.6-69.7169.7000111.8Q23 K24 Q29 S30 A31Q23-L27 PolarHBondContact O-N 2.92Å; K24-L27 PolarHBondContact O-N 2.79Å; L27-Q29 PolarHBondContact O-N 2.93Å; L27-S30 WeakPolarHBondContact CA-OG 3.38Å; L27-S30 PolarHBondContact O-N 3.43Å; L27-S30 PolarHBondContact O-OG 3.44Å; L27-A31 WeakPolarHBondContact O-CB 3.25Å; L27-A31 PolarHBondContact O-N 3.46Å
28Y91.2Very high90.5Very high65 Ų6588.4 Ų88.426%0.25542%0.415SS..Hα-helixtrans-59.3-45.9175.9-173.5-75.7000111.6K24 L25 T32 I55 N59 F62K24-Y28 WeakPolarHBondContact O-CB 3.35Å; K24-Y28 PolarHBondContact O-N 2.89Å; L25-Y28 WeakPolarHBondContact O-CB 3.36Å; L25-Y28 PolarHBondContact O-N 2.87Å; Y28-T32 WeakPolarHBondContact O-CB 3.4Å; Y28-T32 PolarHBondContact O-N 3.33Å; Y28-T32 PolarHBondContact O-OG1 3.18Å; Y28-I55 HydrophobicContact CD2-CG2 4.01Å; Y28-I55 HydrophobicContact CE1-CG2 4.18Å; Y28-I55 HydrophobicContact CE2-CG2 3.39Å; Y28-I55 VanDerWaalsContact CZ-CG2 3.46Å; Y28-N59 HydrophobicContact CE2-CB 4.2Å; Y28-N59 PolarHBondContact OH-ND2 2.81Å; Y28-F62 HydrophobicContact CE1-CD2 4.48Å; Y28-F62 HydrophobicContact CE1-CE2 4.46Å; Y28-F62 VanDerWaalsContact OH-CD2 3.25Å; Y28-F62 WeakPolarHBondContact OH-CD2 3.22Å
29Q92.3Very high91Very high100 Ų10086.2 Ų86.247%0.46741%0.406SS..Hα-helixtrans-64.9-45.9179.5-74.8173.7-18.800111.9L25 K26 L27 T32 Q33L25-Q29 HydrophobicContact CD1-CG 4.38Å; L25-Q29 HydrophobicContact CG-CG 4.44Å; L25-Q29 WeakPolarHBondContact O-CB 3.07Å; L25-Q29 VanDerWaalsContact O-CG 3.28Å; L25-Q29 WeakPolarHBondContact O-CG 3.35Å; L25-Q29 PolarHBondContact O-N 3.41Å; K26-Q29 PolarHBondContact O-N 3.35Å; L27-Q29 PolarHBondContact O-N 2.93Å; Q29-T32 PolarHBondContact O-N 2.96Å; Q29-Q33 WeakPolarHBondContact O-CG 3.28Å; Q29-Q33 PolarHBondContact O-N 2.83Å
30S91.5Very high91.6Very high62 Ų6290.2 Ų90.243%0.43442%0.423SS..Hα-helixtrans-63.5-43.8178.754.80000112.1K26 L27 T32 Q33 A34K26-S30 PolarHBondContact O-N 3.25Å; K26-S30 PolarHBondContact O-OG 2.99Å; L27-S30 WeakPolarHBondContact CA-OG 3.38Å; L27-S30 PolarHBondContact O-N 3.43Å; L27-S30 PolarHBondContact O-OG 3.44Å; S30-T32 VanDerWaalsContact C-N 3.35Å; S30-T32 PolarHBondContact O-N 3.28Å; S30-Q33 PolarHBondContact O-N 3.05Å; S30-A34 WeakPolarHBondContact O-CB 3.34Å; S30-A34 PolarHBondContact O-N 2.85Å
31A91.5Very high92.2Very high9 Ų988.8 Ų88.87%0.07443%0.427CS..Hα-helixtrans-63.9-41.1177.300000111.4L27 A34 V35 L51 I55L27-A31 WeakPolarHBondContact O-CB 3.25Å; L27-A31 PolarHBondContact O-N 3.46Å; A31-A34 PolarHBondContact O-N 2.64Å; A31-V35 WeakPolarHBondContact O-CG2 3.35Å; A31-V35 PolarHBondContact O-N 3.18Å; A31-L51 HydrophobicContact CB-CD2 4.47Å; A31-I55 HydrophobicContact CB-CD1 3.9Å; A31-I55 HydrophobicContact CB-CG1 4.02Å
32T94.4Very high92.5Very high16 Ų1683 Ų8310%0.09842%0.42CS..Hα-helixtrans-62.5-45.4177.9-58.70000111.6Y28 Q29 S30 V35 F36 F62Y28-T32 WeakPolarHBondContact O-CB 3.4Å; Y28-T32 PolarHBondContact O-N 3.33Å; Y28-T32 PolarHBondContact O-OG1 3.18Å; Q29-T32 PolarHBondContact O-N 2.96Å; S30-T32 VanDerWaalsContact C-N 3.35Å; S30-T32 PolarHBondContact O-N 3.28Å; T32-V35 PolarHBondContact O-N 3.03Å; T32-F36 HydrophobicContact CG2-CD2 4.13Å; T32-F36 HydrophobicContact CG2-CE2 3.67Å; T32-F36 HydrophobicContact CG2-CZ 4.04Å; T32-F36 PolarHBondContact O-N 3.29Å; T32-F36 VanDerWaalsContact O-N 3.15Å; T32-F62 HydrophobicContact CG2-CE2 3.72Å; T32-F62 HydrophobicContact CG2-CZ 4.04Å
33Q95.2Very high92.8Very high122 Ų12282.4 Ų82.457%0.5742%0.418SS*.Hα-helixtrans-62.8-43.2178.1-73.2174.42.100111.5Q29 S30 V35 F36 Q37Q29-Q33 WeakPolarHBondContact O-CG 3.28Å; Q29-Q33 PolarHBondContact O-N 2.83Å; S30-Q33 PolarHBondContact O-N 3.05Å; Q33-V35 PolarHBondContact O-N 3.48Å; Q33-F36 PolarHBondContact O-N 2.79Å; Q33-Q37 WeakPolarHBondContact O-CG 3.45Å; Q33-Q37 PolarHBondContact O-N 2.94Å
34A95.8Very high93.3Very high30 Ų3077.4 Ų77.425%0.24840%0.395CS..Hα-helixtrans-60.2-43.3177.300000112.1S30 A31 F36 Q37 K38 L51S30-A34 WeakPolarHBondContact O-CB 3.34Å; S30-A34 PolarHBondContact O-N 2.85Å; A31-A34 PolarHBondContact O-N 2.64Å; A34-F36 VanDerWaalsContact C-N 3.35Å; A34-F36 PolarHBondContact O-N 2.75Å; A34-Q37 PolarHBondContact O-N 3.23Å; A34-K38 WeakPolarHBondContact O-CB 3.24Å; A34-K38 WeakPolarHBondContact O-CG 3.1Å; A34-K38 PolarHBondContact O-N 2.85Å; A34-L51 HydrophobicContact CB-CD1 4Å
35V96.5Very high93.6Very high0 Ų074.4 Ų74.40%039%0.385CS..Hα-helixtrans-58.8-46175170.70000111.4A31 T32 Q33 K38 R39 V48 L51 T52 I55 L65 C68A31-V35 WeakPolarHBondContact O-CG2 3.35Å; A31-V35 PolarHBondContact O-N 3.18Å; T32-V35 PolarHBondContact O-N 3.03Å; Q33-V35 PolarHBondContact O-N 3.48Å; V35-K38 PolarHBondContact O-N 3.06Å; V35-R39 WeakPolarHBondContact O-CB 3.38Å; V35-R39 PolarHBondContact O-N 2.71Å; V35-V48 HydrophobicContact CG1-CG1 4.22Å; V35-L51 HydrophobicContact CG2-CB 3.46Å; V35-L51 VanDerWaalsContact CG2-CB 3.46Å; V35-L51 HydrophobicContact CG2-CD1 4.13Å; V35-L51 HydrophobicContact CG2-CG 4.44Å; V35-T52 HydrophobicContact CB-CG2 4.49Å; V35-T52 HydrophobicContact CG1-CG2 3.8Å; V35-T52 HydrophobicContact CG2-CG2 3.83Å; V35-I55 HydrophobicContact CG2-CD1 4.44Å; V35-L65 HydrophobicContact CG1-CD2 3.97Å; V35-C68 HydrophobicContact CG1-CB 4.33Å
36F96.8Very high93.8Very high67 Ų6774.9 Ų74.929%0.29439%0.385SS..Hα-helixtrans-69.5-36.4-178.5-67.7-20.9000113.3T32 Q33 A34 R39 Q40 F62 T64 L65T32-F36 HydrophobicContact CG2-CD2 4.13Å; T32-F36 HydrophobicContact CG2-CE2 3.67Å; T32-F36 HydrophobicContact CG2-CZ 4.04Å; T32-F36 PolarHBondContact O-N 3.29Å; T32-F36 VanDerWaalsContact O-N 3.15Å; Q33-F36 PolarHBondContact O-N 2.79Å; A34-F36 VanDerWaalsContact C-N 3.35Å; A34-F36 PolarHBondContact O-N 2.75Å; F36-R39 PolarHBondContact O-N 2.67Å; F36-Q40 WeakPolarHBondContact O-CB 3.19Å; F36-Q40 VanDerWaalsContact O-CG 3.28Å; F36-Q40 WeakPolarHBondContact O-CG 3.39Å; F36-Q40 PolarHBondContact O-N 3.38Å; F36-F62 HydrophobicContact CE2-CZ 4.39Å; F36-F62 HydrophobicContact CZ-CE1 4.32Å; F36-F62 AromaticContact CZ-CZ 3.76Å; F36-F62 HydrophobicContact CZ-CZ 3.76Å; F36-T64 HydrophobicContact CE1-CG2 3.9Å; F36-T64 HydrophobicContact CZ-CG2 4.23Å; F36-L65 HydrophobicContact CE1-CD2 3.97Å; F36-L65 HydrophobicContact CZ-CD2 4.45Å
37Q97Very high94.1Very high126 Ų12669.1 Ų69.159%0.58936%0.364SS*.Hα-helixtrans-63.1-47.1173.7-73.4173-6.500111.2Q33 A34 R39 Q40 A41Q33-Q37 WeakPolarHBondContact O-CG 3.45Å; Q33-Q37 PolarHBondContact O-N 2.94Å; A34-Q37 PolarHBondContact O-N 3.23Å; Q37-R39 PolarHBondContact O-N 2.64Å; Q37-Q40 PolarHBondContact O-N 3.08Å; Q37-A41 WeakPolarHBondContact O-CB 3.47Å; Q37-A41 PolarHBondContact O-N 2.85Å
38K96.8Very high94.7Very high48 Ų4863.4 Ų63.421%0.20933%0.334CS..Hα-helixtrans-59.6-46.5176.3-75.3-174.7156.5-74.40112.2A34 V35 Q40 A41 G42 E43 S47 V48 L51A34-K38 WeakPolarHBondContact O-CB 3.24Å; A34-K38 WeakPolarHBondContact O-CG 3.1Å; A34-K38 PolarHBondContact O-N 2.85Å; V35-K38 PolarHBondContact O-N 3.06Å; K38-Q40 VanDerWaalsContact C-N 3.34Å; K38-Q40 PolarHBondContact O-N 3.5Å; K38-A41 PolarHBondContact O-N 3.1Å; K38-G42 PolarHBondContact O-N 3.49Å; K38-G42 VanDerWaalsContact O-N 3.13Å; K38-E43 HydrophobicContact CB-CB 4.14Å; K38-E43 HydrophobicContact CG-CB 4.42Å; K38-E43 IonicContact NZ-OE2 3.44Å; K38-E43 PolarHBondContact NZ-OE2 3.25Å; K38-E43 PolarHBondContact O-N 3.47Å; K38-S47 WeakPolarHBondContact CE-OG 3.29Å; K38-S47 PolarHBondContact NZ-OG 3.11Å; K38-S47 VanDerWaalsContact NZ-OG 3.13Å; K38-V48 HydrophobicContact CB-CG2 3.9Å; K38-V48 HydrophobicContact CD-CG2 3.97Å; K38-L51 HydrophobicContact CD-CD1 4.2Å
39R96.4Very high95Very high84 Ų8460.9 Ų60.932%0.31733%0.325SS..Hα-helixtrans-60.2-42.1175.9-171-177.7-174.5-152-5112.3V35 F36 Q37 A41 G42 C68 E71V35-R39 WeakPolarHBondContact O-CB 3.38Å; V35-R39 PolarHBondContact O-N 2.71Å; F36-R39 PolarHBondContact O-N 2.67Å; Q37-R39 PolarHBondContact O-N 2.64Å; R39-A41 VanDerWaalsContact C-N 3.34Å; R39-G42 PolarHBondContact O-N 2.64Å; R39-C68 VanDerWaalsContact CD-SG 3.53Å; R39-E71 IonicContact CZ-OE1 2.76Å; R39-E71 IonicContact CZ-OE2 3.83Å; R39-E71 IonicContact NE-OE1 3.43Å; R39-E71 PolarHBondContact NE-OE1 2.95Å; R39-E71 IonicContact NE-OE2 3.17Å; R39-E71 PolarHBondContact NE-OE2 3.39Å; R39-E71 IonicContact NH2-OE1 3.32Å; R39-E71 PolarHBondContact NH2-OE1 2.96Å; R39-E71 IonicContact NH2-OE2 2.64Å
40Q96Very high95.2Very high168 Ų16862.1 Ų62.179%0.78533%0.331SS*.Hα-helixtrans-65.8-35.4176.4-77.6176.82.400112.7F36 Q37 K38 G42F36-Q40 WeakPolarHBondContact O-CB 3.19Å; F36-Q40 VanDerWaalsContact O-CG 3.28Å; F36-Q40 WeakPolarHBondContact O-CG 3.39Å; F36-Q40 PolarHBondContact O-N 3.38Å; Q37-Q40 PolarHBondContact O-N 3.08Å; K38-Q40 VanDerWaalsContact C-N 3.34Å; K38-Q40 PolarHBondContact O-N 3.5Å; Q40-G42 PolarHBondContact O-N 3.06Å
41A95.9Very high95.4Very high67 Ų6760.9 Ų60.955%0.55432%0.319SS*.Hα-helixtrans-77.2-5.9176.700000113.6Q37 K38 R39 E43Q37-A41 WeakPolarHBondContact O-CB 3.47Å; Q37-A41 PolarHBondContact O-N 2.85Å; K38-A41 PolarHBondContact O-N 3.1Å; R39-A41 VanDerWaalsContact C-N 3.34Å; A41-E43 VanDerWaalsContact C-N 3.29Å; A41-E43 HydrophobicContact CB-CG 4.11Å
42G93.7Very high95.6Very high47 Ų4760.5 Ų60.549%0.48532%0.316SS..THydrogen-bonded Turntrans75.414.6-175.300000114.1K38 R39 Q40 L44K38-G42 PolarHBondContact O-N 3.49Å; K38-G42 VanDerWaalsContact O-N 3.13Å; R39-G42 PolarHBondContact O-N 2.64Å; Q40-G42 PolarHBondContact O-N 3.06Å; G42-L44 PolarHBondContact O-N 3.44Å
43E94.8Very high95.7Very high88 Ų8861.4 Ų61.441%0.41132%0.323SS..  trans-79.882.3177.5-65.5176.9-157.400110.3K38 A41 D45 V48K38-E43 HydrophobicContact CB-CB 4.14Å; K38-E43 HydrophobicContact CG-CB 4.42Å; K38-E43 IonicContact NZ-OE2 3.44Å; K38-E43 PolarHBondContact NZ-OE2 3.25Å; K38-E43 PolarHBondContact O-N 3.47Å; A41-E43 VanDerWaalsContact C-N 3.29Å; A41-E43 HydrophobicContact CB-CG 4.11Å; E43-D45 PolarHBondContact O-N 3.32Å; E43-V48 WeakPolarHBondContact O-CG2 3.21Å
44L93.8Very high95.6Very high32 Ų3260.9 Ų60.917%0.16832%0.321CS..  trans-99.575.2-179-58.7179000111.2G42 E71 V72 Q75G42-L44 PolarHBondContact O-N 3.44Å; L44-E71 HydrophobicContact CD1-CB 4.25Å; L44-E71 HydrophobicContact CD2-CB 4.19Å; L44-V72 HydrophobicContact CB-CG2 4.13Å; L44-V72 HydrophobicContact CD2-CG2 4.03Å; L44-Q75 HydrophobicContact CB-CB 4.27Å; L44-Q75 HydrophobicContact CB-CG 4.46Å; L44-Q75 VanDerWaalsContact CB-OE1 3.31Å; L44-Q75 PolarHBondContact O-NE2 3.34Å
45D93.3Very high95.5Very high63 Ų6359.6 Ų59.634%0.33731%0.309SS..SBendtrans-126.3179.4-177.964.834.5000112.7E43 S47 V48 V72E43-D45 PolarHBondContact O-N 3.32Å; D45-S47 PolarHBondContact O-N 3.21Å; D45-S47 VanDerWaalsContact O-N 3.12Å; D45-S47 WeakPolarHBondContact OD1-CA 3.45Å; D45-S47 WeakPolarHBondContact OD1-CB 3.46Å; D45-S47 PolarHBondContact OD1-N 3.42Å; D45-S47 PolarHBondContact OD1-OG 3.25Å; D45-V48 PolarHBondContact O-N 3.36Å; D45-V48 VanDerWaalsContact O-N 3.09Å; D45-V72 WeakPolarHBondContact O-CG1 3.19Å
46E94.3Very high95.6Very high100 Ų10059.6 Ų59.647%0.46731%0.309SS..Hα-helixtrans-59.8-22.3-178.9-64.6-175.3168.500114.1V48 L49 E50 L76 K80E46-V48 PolarHBondContact O-N 2.98Å; E46-L49 WeakPolarHBondContact O-CA 3.39Å; E46-L49 WeakPolarHBondContact O-CB 3.4Å; E46-L49 PolarHBondContact O-N 3.34Å; E46-E50 PolarHBondContact O-N 3.39Å; E46-L76 HydrophobicContact CG-CD1 4.06Å; E46-K80 WeakPolarHBondContact OE1-CE 3.44Å; E46-K80 IonicContact OE1-NZ 3.82Å; E46-K80 PolarHBondContact OE1-NZ 3.06Å
47S95.8Very high95.4Very high36 Ų3657.9 Ų57.925%0.25231%0.311SS..Hα-helixtrans-64.4-32.3176.977.40000111.6K38 D45 E50 L51K38-S47 WeakPolarHBondContact CE-OG 3.29Å; K38-S47 PolarHBondContact NZ-OG 3.11Å; K38-S47 VanDerWaalsContact NZ-OG 3.13Å; D45-S47 PolarHBondContact O-N 3.21Å; D45-S47 VanDerWaalsContact O-N 3.12Å; D45-S47 WeakPolarHBondContact OD1-CA 3.45Å; D45-S47 WeakPolarHBondContact OD1-CB 3.46Å; D45-S47 PolarHBondContact OD1-N 3.42Å; D45-S47 PolarHBondContact OD1-OG 3.25Å; S47-E50 PolarHBondContact O-N 3.22Å; S47-L51 WeakPolarHBondContact O-CB 3.18Å; S47-L51 VanDerWaalsContact O-CG 3.3Å; S47-L51 WeakPolarHBondContact O-CG 3.38Å; S47-L51 PolarHBondContact O-N 3.49Å
48V96.4Very high95.1Very high1 Ų155.3 Ų55.31%0.00631%0.311CS..Hα-helixtrans-69.1-36173.61780000110.7V35 K38 E43 D45 E46 T52 C68 V72V35-V48 HydrophobicContact CG1-CG1 4.22Å; K38-V48 HydrophobicContact CB-CG2 3.9Å; K38-V48 HydrophobicContact CD-CG2 3.97Å; E43-V48 WeakPolarHBondContact O-CG2 3.21Å; D45-V48 PolarHBondContact O-N 3.36Å; D45-V48 VanDerWaalsContact O-N 3.09Å; E46-V48 PolarHBondContact O-N 2.98Å; V48-T52 HydrophobicContact CG1-CG2 4.21Å; V48-T52 WeakPolarHBondContact O-CB 3.3Å; V48-T52 VanDerWaalsContact O-CG2 3.28Å; V48-T52 WeakPolarHBondContact O-CG2 3.46Å; V48-T52 PolarHBondContact O-N 3.29Å; V48-T52 PolarHBondContact O-OG1 3.19Å; V48-C68 HydrophobicContact CG1-CB 4.39Å; V48-V72 HydrophobicContact CB-CG2 3.79Å; V48-V72 HydrophobicContact CG1-CG2 3.75Å; V48-V72 HydrophobicContact CG2-CG2 4.43Å
49L96.8Very high95Very high13 Ų1355.9 Ų55.97%0.06832%0.316CS..Hα-helixtrans-66.3-40.4174.2-60.5-178.7000111.4E46 T52 S53 R69 V72 L73 L76 L88E46-L49 WeakPolarHBondContact O-CA 3.39Å; E46-L49 WeakPolarHBondContact O-CB 3.4Å; E46-L49 PolarHBondContact O-N 3.34Å; L49-T52 PolarHBondContact O-OG1 3.15Å; L49-S53 VanDerWaalsContact O-CB 3.32Å; L49-S53 WeakPolarHBondContact O-CB 3.4Å; L49-S53 PolarHBondContact O-N 2.99Å; L49-R69 HydrophobicContact CD2-CB 4.07Å; L49-R69 HydrophobicContact CD2-CG 3.98Å; L49-R69 PolarHBondContact O-NH1 2.95Å; L49-V72 HydrophobicContact CD1-CG1 4.1Å; L49-V72 HydrophobicContact CD2-CB 4.04Å; L49-V72 HydrophobicContact CD2-CG1 3.93Å; L49-V72 HydrophobicContact CG-CB 4.4Å; L49-V72 HydrophobicContact CG-CG1 3.75Å; L49-L73 HydrophobicContact CD1-CD2 4.2Å; L49-L73 HydrophobicContact CD2-CG 4.45Å; L49-L76 HydrophobicContact CD1-CD1 4.14Å; L49-L88 HydrophobicContact CD1-CD1 3.92Å
50E95.9Very high95Very high126 Ų12652 Ų5259%0.58930%0.302SS*.Hα-helixtrans-63.2-52.3176-171.7-179.3-179.100111.1E46 S47 T52 S53 Q54E46-E50 PolarHBondContact O-N 3.39Å; S47-E50 PolarHBondContact O-N 3.22Å; E50-T52 PolarHBondContact O-N 3.31Å; E50-S53 PolarHBondContact O-N 3.46Å; E50-S53 VanDerWaalsContact O-N 3.13Å; E50-S53 PolarHBondContact O-OG 2.97Å; E50-Q54 PolarHBondContact O-N 3.26Å
51L95.9Very high95Very high36 Ų3647.9 Ų47.919%0.18829%0.285CS..Hα-helixtrans-61.4-44-179-70.8170.7000112.5A31 A34 V35 K38 S47 S53 Q54 I55A31-L51 HydrophobicContact CB-CD2 4.47Å; A34-L51 HydrophobicContact CB-CD1 4Å; V35-L51 HydrophobicContact CG2-CB 3.46Å; V35-L51 VanDerWaalsContact CG2-CB 3.46Å; V35-L51 HydrophobicContact CG2-CD1 4.13Å; V35-L51 HydrophobicContact CG2-CG 4.44Å; K38-L51 HydrophobicContact CD-CD1 4.2Å; S47-L51 WeakPolarHBondContact O-CB 3.18Å; S47-L51 VanDerWaalsContact O-CG 3.3Å; S47-L51 WeakPolarHBondContact O-CG 3.38Å; S47-L51 PolarHBondContact O-N 3.49Å; L51-S53 VanDerWaalsContact C-N 3.29Å; L51-S53 PolarHBondContact O-N 3.48Å; L51-Q54 PolarHBondContact O-N 3.27Å; L51-I55 WeakPolarHBondContact O-CG1 3.38Å
52T97.1Very high95.1Very high0 Ų046.9 Ų46.90%027%0.269CS..Hα-helixtrans-67.9-29.6177.652.40000112.3V35 V48 L49 E50 I55 L56 L65 C68 R69V35-T52 HydrophobicContact CB-CG2 4.49Å; V35-T52 HydrophobicContact CG1-CG2 3.8Å; V35-T52 HydrophobicContact CG2-CG2 3.83Å; V48-T52 HydrophobicContact CG1-CG2 4.21Å; V48-T52 WeakPolarHBondContact O-CB 3.3Å; V48-T52 VanDerWaalsContact O-CG2 3.28Å; V48-T52 WeakPolarHBondContact O-CG2 3.46Å; V48-T52 PolarHBondContact O-N 3.29Å; V48-T52 PolarHBondContact O-OG1 3.19Å; L49-T52 PolarHBondContact O-OG1 3.15Å; E50-T52 PolarHBondContact O-N 3.31Å; T52-I55 PolarHBondContact O-N 3.23Å; T52-L56 VanDerWaalsContact O-CB 3.31Å; T52-L56 WeakPolarHBondContact O-CB 3.29Å; T52-L56 WeakPolarHBondContact O-CG 3.45Å; T52-L56 PolarHBondContact O-N 2.81Å; T52-L65 HydrophobicContact CG2-CB 4.03Å; T52-L65 HydrophobicContact CG2-CD2 4.18Å; T52-L65 HydrophobicContact CG2-CG 4.48Å; T52-C68 HydrophobicContact CG2-CB 4.44Å; T52-R69 HydrophobicContact CG2-CG 4.37Å; T52-R69 VanDerWaalsContact OG1-CG 3.27Å; T52-R69 WeakPolarHBondContact OG1-CG 3.4Å; T52-R69 PolarHBondContact OG1-NH1 3.43Å
53S96.1Very high95.2Very high36 Ų3647.2 Ų47.225%0.25227%0.267SS..Hα-helixtrans-66.2-37.3177.875.60000112.8L49 E50 L51 I55 G57 F95L49-S53 VanDerWaalsContact O-CB 3.32Å; L49-S53 WeakPolarHBondContact O-CB 3.4Å; L49-S53 PolarHBondContact O-N 2.99Å; E50-S53 PolarHBondContact O-N 3.46Å; E50-S53 VanDerWaalsContact O-N 3.13Å; E50-S53 PolarHBondContact O-OG 2.97Å; L51-S53 VanDerWaalsContact C-N 3.29Å; L51-S53 PolarHBondContact O-N 3.48Å; S53-I55 VanDerWaalsContact C-N 3.27Å; S53-I55 PolarHBondContact O-N 3.4Å; S53-G57 WeakPolarHBondContact O-CA 3.48Å; S53-G57 PolarHBondContact O-N 3.35Å; S53-F95 VanDerWaalsContact CA-CZ 3.49Å
54Q92.8Very high95.3Very high111 Ų11145.4 Ų45.452%0.51926%0.262SS..Hα-helixtrans-62.5-38.1176.5-63.4174.62100111.4E50 L51E50-Q54 PolarHBondContact O-N 3.26Å; L51-Q54 PolarHBondContact O-N 3.27Å
55I94.6Very high95.5Very high2 Ų243.9 Ų43.91%0.0125%0.254CS..Hα-helixtrans-79.5-52.4-177.5-57.3165000110.6Y28 A31 V35 L51 T52 S53 G57 A58 N59 F62 L65Y28-I55 HydrophobicContact CD2-CG2 4.01Å; Y28-I55 HydrophobicContact CE1-CG2 4.18Å; Y28-I55 HydrophobicContact CE2-CG2 3.39Å; Y28-I55 VanDerWaalsContact CZ-CG2 3.46Å; A31-I55 HydrophobicContact CB-CD1 3.9Å; A31-I55 HydrophobicContact CB-CG1 4.02Å; V35-I55 HydrophobicContact CG2-CD1 4.44Å; L51-I55 WeakPolarHBondContact O-CG1 3.38Å; T52-I55 PolarHBondContact O-N 3.23Å; S53-I55 VanDerWaalsContact C-N 3.27Å; S53-I55 PolarHBondContact O-N 3.4Å; I55-G57 VanDerWaalsContact C-N 3.32Å; I55-G57 PolarHBondContact O-N 2.9Å; I55-A58 PolarHBondContact O-N 3.11Å; I55-A58 VanDerWaalsContact O-N 3.12Å; I55-N59 PolarHBondContact O-N 3.02Å; I55-F62 HydrophobicContact CG2-CD2 4.03Å; I55-L65 HydrophobicContact CB-CD1 3.61Å; I55-L65 HydrophobicContact CD1-CD1 3.73Å; I55-L65 HydrophobicContact CG1-CD1 4.29Å; I55-L65 HydrophobicContact CG2-CD1 3.35Å
56L96.9Very high95.7Very high0 Ų041 Ų410%024%0.239CC..Hα-helixtrans-68.7-30.6-177.3-73.4168.9000112.5T52 A58 N59 P60 F62 L65 W66 F95T52-L56 VanDerWaalsContact O-CB 3.31Å; T52-L56 WeakPolarHBondContact O-CB 3.29Å; T52-L56 WeakPolarHBondContact O-CG 3.45Å; T52-L56 PolarHBondContact O-N 2.81Å; L56-A58 PolarHBondContact O-N 2.85Å; L56-N59 CarbonylContact O-C 3.33Å; L56-N59 PolarHBondContact O-N 3.42Å; L56-P60 VanDerWaalsContact O-CA 3.29Å; L56-P60 WeakPolarHBondContact O-CA 3.15Å; L56-P60 WeakPolarHBondContact O-CD 3.31Å; L56-F62 HydrophobicContact CD2-CB 4.26Å; L56-L65 HydrophobicContact CD1-CB 3.83Å; L56-L65 HydrophobicContact CD2-CB 4.06Å; L56-L65 HydrophobicContact CG-CB 3.92Å; L56-L65 HydrophobicContact CG-CD1 4.26Å; L56-W66 HydrophobicContact CB-CH2 4.41Å; L56-W66 HydrophobicContact CB-CZ2 4.18Å; L56-W66 HydrophobicContact CD1-CD2 3.71Å; L56-W66 HydrophobicContact CD1-CE3 3.77Å; L56-W66 HydrophobicContact CD1-CG 4.34Å; L56-W66 HydrophobicContact CD1-CH2 3.96Å; L56-W66 HydrophobicContact CD1-CZ2 3.93Å; L56-W66 HydrophobicContact CD1-CZ3 3.89Å; L56-W66 HydrophobicContact CD2-CD2 4.22Å; L56-W66 HydrophobicContact CD2-CG 4.41Å; L56-W66 HydrophobicContact CD2-CZ2 4Å; L56-W66 HydrophobicContact CG-CZ2 4.26Å; L56-F95 HydrophobicContact CB-CE1 4.13Å; L56-F95 HydrophobicContact CB-CZ 3.75Å; L56-F95 HydrophobicContact CD1-CE1 4.41Å
57G93.8Very high95.9Very high32 Ų3239.1 Ų39.133%0.3323%0.232SC..THydrogen-bonded Turntrans-63.5-21.4172.600000113.5S53 I55 V102S53-G57 WeakPolarHBondContact O-CA 3.48Å; S53-G57 PolarHBondContact O-N 3.35Å; I55-G57 VanDerWaalsContact C-N 3.32Å; I55-G57 PolarHBondContact O-N 2.9Å; G57-V102 WeakPolarHBondContact O-CG2 3.34Å
58A91.1Very high96Very high71 Ų7137.4 Ų37.459%0.58722%0.22SC*.THydrogen-bonded Turntrans-99.9-36.2172.800000112.7I55 L56I55-A58 PolarHBondContact O-N 3.11Å; I55-A58 VanDerWaalsContact O-N 3.12Å; L56-A58 PolarHBondContact O-N 2.85Å
59N94.2Very high96.1Very high60 Ų6037.8 Ų37.832%0.32122%0.221SC..  trans-137.885.1-179.2-18021.4000110.6Y28 I55 L56 D61 F62Y28-N59 HydrophobicContact CE2-CB 4.2Å; Y28-N59 PolarHBondContact OH-ND2 2.81Å; I55-N59 PolarHBondContact O-N 3.02Å; L56-N59 CarbonylContact O-C 3.33Å; L56-N59 PolarHBondContact O-N 3.42Å; N59-D61 PolarHBondContact O-N 3.16Å; N59-D61 VanDerWaalsContact O-N 3.12Å; N59-D61 PolarHBondContact OD1-N 3.15Å; N59-F62 PolarHBondContact O-N 3.46Å
60P96.4Very high96.2Very high3 Ų339 Ų392%0.01923%0.225CC..THydrogen-bonded Turntrans-69.7-8.5-17728.3-36.2000113.5L56 F62 W66 C99 V102 N103 S106 T109L56-P60 VanDerWaalsContact O-CA 3.29Å; L56-P60 WeakPolarHBondContact O-CA 3.15Å; L56-P60 WeakPolarHBondContact O-CD 3.31Å; P60-F62 VanDerWaalsContact C-N 3.3Å; P60-F62 PolarHBondContact O-N 2.84Å; P60-W66 HydrophobicContact CB-CZ2 4.46Å; P60-W66 PolarHBondContact O-NE1 2.92Å; P60-C99 HydrophobicContact CB-CB 3.95Å; P60-V102 HydrophobicContact CG-CB 4.38Å; P60-V102 HydrophobicContact CG-CG1 4.18Å; P60-N103 HydrophobicContact CG-CB 3.8Å; P60-S106 PolarHBondContact O-OG 2.8Å; P60-T109 WeakPolarHBondContact CB-OG1 3.38Å
61D96.1Very high96.2Very high81 Ų8135.9 Ų35.943%0.43321%0.21SC..THydrogen-bonded Turntrans-87.13.7-179.8-63.5-44.3000113.7N59 A63 N103 S106N59-D61 PolarHBondContact O-N 3.16Å; N59-D61 VanDerWaalsContact O-N 3.12Å; N59-D61 PolarHBondContact OD1-N 3.15Å; D61-A63 VanDerWaalsContact C-N 3.27Å; D61-A63 PolarHBondContact O-N 3.18Å; D61-N103 PolarHBondContact OD2-ND2 3.19Å; D61-S106 VanDerWaalsContact OD1-CA 3.31Å; D61-S106 WeakPolarHBondContact OD1-CA 3.45Å; D61-S106 WeakPolarHBondContact OD1-CB 3.46Å; D61-S106 PolarHBondContact OD1-OG 3Å
62F96.7Very high96.3Very high46 Ų4634.1 Ų34.120%0.20220%0.201CC..  trans-76.379.6171-163-7.9000111.3Y28 T32 F36 I55 L56 N59 P60 T64 L65Y28-F62 HydrophobicContact CE1-CD2 4.48Å; Y28-F62 HydrophobicContact CE1-CE2 4.46Å; Y28-F62 VanDerWaalsContact OH-CD2 3.25Å; Y28-F62 WeakPolarHBondContact OH-CD2 3.22Å; T32-F62 HydrophobicContact CG2-CE2 3.72Å; T32-F62 HydrophobicContact CG2-CZ 4.04Å; F36-F62 HydrophobicContact CE2-CZ 4.39Å; F36-F62 HydrophobicContact CZ-CE1 4.32Å; F36-F62 AromaticContact CZ-CZ 3.76Å; F36-F62 HydrophobicContact CZ-CZ 3.76Å; I55-F62 HydrophobicContact CG2-CD2 4.03Å; L56-F62 HydrophobicContact CD2-CB 4.26Å; N59-F62 PolarHBondContact O-N 3.46Å; P60-F62 VanDerWaalsContact C-N 3.3Å; P60-F62 PolarHBondContact O-N 2.84Å; F62-T64 VanDerWaalsContact C-N 3.3Å; F62-T64 PolarHBondContact O-N 2.97Å; F62-T64 VanDerWaalsContact O-N 3.14Å; F62-L65 HydrophobicContact CB-CD1 4.22Å; F62-L65 HydrophobicContact CB-CG 4.31Å; F62-L65 HydrophobicContact CD1-CG 4.19Å; F62-L65 HydrophobicContact CD2-CD1 3.44Å; F62-L65 VanDerWaalsContact CD2-CD1 3.44Å; F62-L65 HydrophobicContact CD2-CD2 4.44Å; F62-L65 HydrophobicContact CD2-CG 3.7Å; F62-L65 HydrophobicContact CE1-CG 4.48Å; F62-L65 HydrophobicContact CE2-CD1 3.96Å; F62-L65 HydrophobicContact CE2-CD2 4.29Å; F62-L65 HydrophobicContact CE2-CG 4.04Å; F62-L65 HydrophobicContact CG-CD1 3.91Å; F62-L65 HydrophobicContact CG-CG 3.8Å; F62-L65 HydrophobicContact CZ-CD2 4.47Å; F62-L65 HydrophobicContact CZ-CG 4.42Å; F62-L65 PolarHBondContact O-N 2.72Å
63A96.3Very high96.3Very high54 Ų5434.4 Ų34.445%0.44620%0.203SC..Hα-helixtrans-51.8-40-171.900000115.1D61 L65 W66 N67D61-A63 VanDerWaalsContact C-N 3.27Å; D61-A63 PolarHBondContact O-N 3.18Å; A63-L65 PolarHBondContact O-N 2.94Å; A63-W66 WeakPolarHBondContact O-CB 3.21Å; A63-W66 PolarHBondContact O-N 2.89Å; A63-W66 VanDerWaalsContact O-N 3.1Å; A63-N67 PolarHBondContact O-N 3.27Å; A63-N67 PolarHBondContact O-OD1 3.48Å
64T97.6Very high96.3Very high51 Ų5136.6 Ų36.631%0.31321%0.209SC..Hα-helixtrans-58.1-34.3-179.6-50.70000112.5F36 F62 W66 N67 C68F36-T64 HydrophobicContact CE1-CG2 3.9Å; F36-T64 HydrophobicContact CZ-CG2 4.23Å; F62-T64 VanDerWaalsContact C-N 3.3Å; F62-T64 PolarHBondContact O-N 2.97Å; F62-T64 VanDerWaalsContact O-N 3.14Å; T64-W66 VanDerWaalsContact C-N 3.34Å; T64-N67 VanDerWaalsContact O-CB 3.28Å; T64-N67 WeakPolarHBondContact O-CB 3.36Å; T64-N67 PolarHBondContact O-N 3.2Å; T64-N67 VanDerWaalsContact O-N 3.11Å; T64-C68 PolarHBondContact O-N 3.28Å; T64-C68 VanDerWaalsContact O-N 3.07Å; T64-C68 PolarHBondContact O-SG 2.96Å
65L97.8Very high96.4Very high0 Ų034.5 Ų34.50%020%0.199CC..Hα-helixtrans-71.3-32.2-179.3-57.5-173000111.7V35 F36 T52 I55 L56 F62 A63 N67 C68 R69V35-L65 HydrophobicContact CG1-CD2 3.97Å; F36-L65 HydrophobicContact CE1-CD2 3.97Å; F36-L65 HydrophobicContact CZ-CD2 4.45Å; T52-L65 HydrophobicContact CG2-CB 4.03Å; T52-L65 HydrophobicContact CG2-CD2 4.18Å; T52-L65 HydrophobicContact CG2-CG 4.48Å; I55-L65 HydrophobicContact CB-CD1 3.61Å; I55-L65 HydrophobicContact CD1-CD1 3.73Å; I55-L65 HydrophobicContact CG1-CD1 4.29Å; I55-L65 HydrophobicContact CG2-CD1 3.35Å; L56-L65 HydrophobicContact CD1-CB 3.83Å; L56-L65 HydrophobicContact CD2-CB 4.06Å; L56-L65 HydrophobicContact CG-CB 3.92Å; L56-L65 HydrophobicContact CG-CD1 4.26Å; F62-L65 HydrophobicContact CB-CD1 4.22Å; F62-L65 HydrophobicContact CB-CG 4.31Å; F62-L65 HydrophobicContact CD1-CG 4.19Å; F62-L65 HydrophobicContact CD2-CD1 3.44Å; F62-L65 VanDerWaalsContact CD2-CD1 3.44Å; F62-L65 HydrophobicContact CD2-CD2 4.44Å; F62-L65 HydrophobicContact CD2-CG 3.7Å; F62-L65 HydrophobicContact CE1-CG 4.48Å; F62-L65 HydrophobicContact CE2-CD1 3.96Å; F62-L65 HydrophobicContact CE2-CD2 4.29Å; F62-L65 HydrophobicContact CE2-CG 4.04Å; F62-L65 HydrophobicContact CG-CD1 3.91Å; F62-L65 HydrophobicContact CG-CG 3.8Å; F62-L65 HydrophobicContact CZ-CD2 4.47Å; F62-L65 HydrophobicContact CZ-CG 4.42Å; F62-L65 PolarHBondContact O-N 2.72Å; A63-L65 PolarHBondContact O-N 2.94Å; L65-N67 PolarHBondContact O-N 2.92Å; L65-C68 WeakPolarHBondContact O-CB 3.32Å; L65-C68 PolarHBondContact O-N 3Å; L65-R69 WeakPolarHBondContact O-CG 3.28Å; L65-R69 PolarHBondContact O-N 3.23Å
66W98.3Very high96.3Very high2 Ų234.8 Ų34.81%0.00820%0.201CC..Hα-helixtrans-62.2-33.9169.3-66.9120.1000112L56 P60 A63 T64 R70 F95 L96 C99 T109 H112L56-W66 HydrophobicContact CB-CH2 4.41Å; L56-W66 HydrophobicContact CB-CZ2 4.18Å; L56-W66 HydrophobicContact CD1-CD2 3.71Å; L56-W66 HydrophobicContact CD1-CE3 3.77Å; L56-W66 HydrophobicContact CD1-CG 4.34Å; L56-W66 HydrophobicContact CD1-CH2 3.96Å; L56-W66 HydrophobicContact CD1-CZ2 3.93Å; L56-W66 HydrophobicContact CD1-CZ3 3.89Å; L56-W66 HydrophobicContact CD2-CD2 4.22Å; L56-W66 HydrophobicContact CD2-CG 4.41Å; L56-W66 HydrophobicContact CD2-CZ2 4Å; L56-W66 HydrophobicContact CG-CZ2 4.26Å; P60-W66 HydrophobicContact CB-CZ2 4.46Å; P60-W66 PolarHBondContact O-NE1 2.92Å; A63-W66 WeakPolarHBondContact O-CB 3.21Å; A63-W66 PolarHBondContact O-N 2.89Å; A63-W66 VanDerWaalsContact O-N 3.1Å; T64-W66 VanDerWaalsContact C-N 3.34Å; W66-R70 WeakPolarHBondContact O-CG 3.44Å; W66-R70 PolarHBondContact O-N 2.97Å; W66-R70 VanDerWaalsContact O-N 3.11Å; W66-F95 HydrophobicContact CH2-CD1 4.03Å; W66-F95 AromaticContact CH2-CE1 3.53Å; W66-F95 HydrophobicContact CH2-CE1 3.53Å; W66-F95 HydrophobicContact CH2-CZ 4.42Å; W66-F95 HydrophobicContact CZ3-CD1 4.16Å; W66-F95 AromaticContact CZ3-CE1 3.81Å; W66-F95 HydrophobicContact CZ3-CE1 3.81Å; W66-L96 HydrophobicContact CE3-CD2 4.33Å; W66-L96 HydrophobicContact CH2-CD2 3.57Å; W66-L96 HydrophobicContact CZ2-CD2 4.34Å; W66-L96 HydrophobicContact CZ3-CD2 3.55Å; W66-L96 HydrophobicContact CZ3-CG 4.48Å; W66-C99 HydrophobicContact CH2-CB 4.3Å; W66-C99 HydrophobicContact CZ2-CB 4.22Å; W66-T109 HydrophobicContact CH2-CG2 4.39Å; W66-T109 HydrophobicContact CZ2-CG2 4.04Å; W66-T109 WeakPolarHBondContact CZ2-OG1 3.44Å; W66-H112 HydrophobicContact CB-CB 4.46Å; W66-H112 HydrophobicContact CD2-CB 4.09Å; W66-H112 HydrophobicContact CE3-CB 3.9Å; W66-H112 AromaticContact CE3-CD2 3.92Å; W66-H112 AromaticContact CE3-CG 3.52Å; W66-H112 AromaticContact CE3-ND1 3.59Å; W66-H112 HydrophobicContact CG-CB 4.36Å; W66-H112 PolarHBondContact O-ND1 2.92Å
67N97.9Very high96.1Very high60 Ų6038 Ų3832%0.32122%0.215SC..Hα-helixtrans-65.9-45.4173.8-52.5-5.1000110.6A63 T64 L65 R69 R70 E71A63-N67 PolarHBondContact O-N 3.27Å; A63-N67 PolarHBondContact O-OD1 3.48Å; T64-N67 VanDerWaalsContact O-CB 3.28Å; T64-N67 WeakPolarHBondContact O-CB 3.36Å; T64-N67 PolarHBondContact O-N 3.2Å; T64-N67 VanDerWaalsContact O-N 3.11Å; L65-N67 PolarHBondContact O-N 2.92Å; N67-R69 VanDerWaalsContact C-N 3.3Å; N67-R69 PolarHBondContact O-N 3.41Å; N67-R70 PolarHBondContact O-N 3.01Å; N67-R70 VanDerWaalsContact O-N 3.13Å; N67-R70 PolarHBondContact OD1-NH2 3.15Å; N67-E71 WeakPolarHBondContact O-CG 3.37Å; N67-E71 PolarHBondContact O-N 3.26Å
68C97.6Very high96Very high1 Ų142.1 Ų42.11%0.00724%0.235CC..Hα-helixtrans-58.8-43.4177.6-54.10000110.9V35 R39 V48 T52 T64 L65 R70 E71 V72V35-C68 HydrophobicContact CG1-CB 4.33Å; R39-C68 VanDerWaalsContact CD-SG 3.53Å; V48-C68 HydrophobicContact CG1-CB 4.39Å; T52-C68 HydrophobicContact CG2-CB 4.44Å; T64-C68 PolarHBondContact O-N 3.28Å; T64-C68 VanDerWaalsContact O-N 3.07Å; T64-C68 PolarHBondContact O-SG 2.96Å; L65-C68 WeakPolarHBondContact O-CB 3.32Å; L65-C68 PolarHBondContact O-N 3Å; C68-R70 PolarHBondContact O-N 3.31Å; C68-E71 PolarHBondContact O-N 3.15Å; C68-V72 VanDerWaalsContact O-CG2 3.31Å; C68-V72 WeakPolarHBondContact O-CG2 3.21Å; C68-V72 PolarHBondContact O-N 3.45Å; C68-V72 VanDerWaalsContact O-N 3.12Å
69R98.3Very high96.1Very high9 Ų944.7 Ų44.73%0.03423%0.234CC..Hα-helixtrans-60.9-42.2175.7-67.8-175.578.982.20.4112.2L49 T52 L65 N67 V72 L73 E92L49-R69 HydrophobicContact CD2-CB 4.07Å; L49-R69 HydrophobicContact CD2-CG 3.98Å; L49-R69 PolarHBondContact O-NH1 2.95Å; T52-R69 HydrophobicContact CG2-CG 4.37Å; T52-R69 VanDerWaalsContact OG1-CG 3.27Å; T52-R69 WeakPolarHBondContact OG1-CG 3.4Å; T52-R69 PolarHBondContact OG1-NH1 3.43Å; L65-R69 WeakPolarHBondContact O-CG 3.28Å; L65-R69 PolarHBondContact O-N 3.23Å; N67-R69 VanDerWaalsContact C-N 3.3Å; N67-R69 PolarHBondContact O-N 3.41Å; R69-V72 PolarHBondContact O-N 2.9Å; R69-L73 WeakPolarHBondContact O-CB 3.32Å; R69-L73 VanDerWaalsContact O-CG 3.24Å; R69-L73 WeakPolarHBondContact O-CG 3.46Å; R69-L73 PolarHBondContact O-N 3.48Å; R69-E92 IonicContact CZ-OE1 2.87Å; R69-E92 IonicContact CZ-OE2 3.18Å; R69-E92 IonicContact NE-OE1 3.63Å; R69-E92 PolarHBondContact NE-OE1 2.61Å; R69-E92 IonicContact NE-OE2 3.86Å; R69-E92 VanDerWaalsContact NH2-CD 3.33Å; R69-E92 IonicContact NH2-OE1 2.7Å; R69-E92 PolarHBondContact NH2-OE1 3.43Å; R69-E92 IonicContact NH2-OE2 3.65Å; R69-E92 PolarHBondContact NH2-OE2 2.75Å
70R98.1Very high96Very high39 Ų3944.2 Ų44.215%0.14723%0.23CC..Hα-helixtrans-61.7-43.8177.2-71.4-166.9-69.6-84.51.7112.3W66 N67 C68 V72 L73 Q74 H112 W115W66-R70 WeakPolarHBondContact O-CG 3.44Å; W66-R70 PolarHBondContact O-N 2.97Å; W66-R70 VanDerWaalsContact O-N 3.11Å; N67-R70 PolarHBondContact O-N 3.01Å; N67-R70 VanDerWaalsContact O-N 3.13Å; N67-R70 PolarHBondContact OD1-NH2 3.15Å; C68-R70 PolarHBondContact O-N 3.31Å; R70-V72 VanDerWaalsContact C-N 3.33Å; R70-V72 PolarHBondContact O-N 3.47Å; R70-L73 PolarHBondContact O-N 3.15Å; R70-Q74 WeakPolarHBondContact O-CB 3.08Å; R70-Q74 VanDerWaalsContact O-CG 3.22Å; R70-Q74 WeakPolarHBondContact O-CG 3.37Å; R70-Q74 PolarHBondContact O-N 2.7Å; R70-H112 VanDerWaalsContact CG-CE1 3.45Å; R70-H112 WeakPolarHBondContact CG-CE1 3.45Å; R70-H112 PolarHBondContact NH1-ND1 3.22Å; R70-W115 HydrophobicContact CB-CH2 3.91Å; R70-W115 HydrophobicContact CB-CZ2 3.83Å; R70-W115 HydrophobicContact CB-CZ3 4.29Å; R70-W115 VanDerWaalsContact CD-CG 3.43Å; R70-W115 HydrophobicContact CG-CD2 3.65Å; R70-W115 HydrophobicContact CG-CE3 3.58Å; R70-W115 HydrophobicContact CG-CG 4.37Å; R70-W115 HydrophobicContact CG-CH2 3.79Å; R70-W115 HydrophobicContact CG-CZ2 3.82Å; R70-W115 HydrophobicContact CG-CZ3 3.67Å
71E97.7Very high95.9Very high59 Ų5946.3 Ų46.328%0.27624%0.244SC..Hα-helixtrans-59-45.2176.9-70.1165.6-175.200111.5R39 L44 N67 C68 Q75R39-E71 IonicContact CZ-OE1 2.76Å; R39-E71 IonicContact CZ-OE2 3.83Å; R39-E71 IonicContact NE-OE1 3.43Å; R39-E71 PolarHBondContact NE-OE1 2.95Å; R39-E71 IonicContact NE-OE2 3.17Å; R39-E71 PolarHBondContact NE-OE2 3.39Å; R39-E71 IonicContact NH2-OE1 3.32Å; R39-E71 PolarHBondContact NH2-OE1 2.96Å; R39-E71 IonicContact NH2-OE2 2.64Å; L44-E71 HydrophobicContact CD1-CB 4.25Å; L44-E71 HydrophobicContact CD2-CB 4.19Å; N67-E71 WeakPolarHBondContact O-CG 3.37Å; N67-E71 PolarHBondContact O-N 3.26Å; C68-E71 PolarHBondContact O-N 3.15Å; E71-Q75 PolarHBondContact O-N 2.86Å
72V97.6Very high95.7Very high0 Ų047.8 Ų47.80%026%0.258CS..Hα-helixtrans-65.3-48.1177.7176.50000111.5L44 D45 V48 L49 C68 R69 R70 Q74 Q75 L76L44-V72 HydrophobicContact CB-CG2 4.13Å; L44-V72 HydrophobicContact CD2-CG2 4.03Å; D45-V72 WeakPolarHBondContact O-CG1 3.19Å; V48-V72 HydrophobicContact CB-CG2 3.79Å; V48-V72 HydrophobicContact CG1-CG2 3.75Å; V48-V72 HydrophobicContact CG2-CG2 4.43Å; L49-V72 HydrophobicContact CD1-CG1 4.1Å; L49-V72 HydrophobicContact CD2-CB 4.04Å; L49-V72 HydrophobicContact CD2-CG1 3.93Å; L49-V72 HydrophobicContact CG-CB 4.4Å; L49-V72 HydrophobicContact CG-CG1 3.75Å; C68-V72 VanDerWaalsContact O-CG2 3.31Å; C68-V72 WeakPolarHBondContact O-CG2 3.21Å; C68-V72 PolarHBondContact O-N 3.45Å; C68-V72 VanDerWaalsContact O-N 3.12Å; R69-V72 PolarHBondContact O-N 2.9Å; R70-V72 VanDerWaalsContact C-N 3.33Å; R70-V72 PolarHBondContact O-N 3.47Å; V72-Q74 VanDerWaalsContact C-N 3.31Å; V72-Q74 PolarHBondContact O-N 2.85Å; V72-Q75 PolarHBondContact O-N 2.79Å; V72-Q75 VanDerWaalsContact O-N 3.14Å; V72-L76 HydrophobicContact CG1-CD1 3.8Å; V72-L76 HydrophobicContact CG1-CG 4.21Å; V72-L76 WeakPolarHBondContact O-CG 3.41Å; V72-L76 PolarHBondContact O-N 2.78Å
73L96.6Very high95.5Very high6 Ų653.6 Ų53.63%0.03129%0.286CS..Hα-helixtrans-59.1-43.2179-71.3170.2000111.3L49 R69 R70 Q75 L76 E77 L88 E92 W115L49-L73 HydrophobicContact CD1-CD2 4.2Å; L49-L73 HydrophobicContact CD2-CG 4.45Å; R69-L73 WeakPolarHBondContact O-CB 3.32Å; R69-L73 VanDerWaalsContact O-CG 3.24Å; R69-L73 WeakPolarHBondContact O-CG 3.46Å; R69-L73 PolarHBondContact O-N 3.48Å; R70-L73 PolarHBondContact O-N 3.15Å; L73-Q75 VanDerWaalsContact C-N 3.33Å; L73-Q75 PolarHBondContact O-N 3.16Å; L73-L76 PolarHBondContact O-N 2.93Å; L73-E77 WeakPolarHBondContact O-CG 3.28Å; L73-E77 PolarHBondContact O-N 2.72Å; L73-L88 HydrophobicContact CD2-CD2 3.65Å; L73-L88 HydrophobicContact CD2-CG 3.87Å; L73-E92 HydrophobicContact CD1-CG 4.04Å; L73-W115 HydrophobicContact CB-CH2 4.07Å; L73-W115 HydrophobicContact CB-CZ3 4.44Å; L73-W115 HydrophobicContact CD1-CH2 4.34Å; L73-W115 HydrophobicContact CD1-CZ3 3.88Å
74Q95.6Very high95.3Very high81 Ų8155.6 Ų55.638%0.37929%0.286SS..Hα-helixtrans-62.8-37.5176-74.2175.6-42.900112.9R70 V72 W115R70-Q74 WeakPolarHBondContact O-CB 3.08Å; R70-Q74 VanDerWaalsContact O-CG 3.22Å; R70-Q74 WeakPolarHBondContact O-CG 3.37Å; R70-Q74 PolarHBondContact O-N 2.7Å; V72-Q74 VanDerWaalsContact C-N 3.31Å; V72-Q74 PolarHBondContact O-N 2.85Å; Q74-W115 HydrophobicContact CG-CH2 4.19Å; Q74-W115 HydrophobicContact CG-CZ2 3.76Å
75Q95.3Very high95Very high67 Ų6754.9 Ų54.931%0.31328%0.28SS..Hα-helixtrans-67.3-46.7174.5176.9161.2-43.800111.3L44 E71 V72 L73 E77 T78L44-Q75 HydrophobicContact CB-CB 4.27Å; L44-Q75 HydrophobicContact CB-CG 4.46Å; L44-Q75 VanDerWaalsContact CB-OE1 3.31Å; L44-Q75 PolarHBondContact O-NE2 3.34Å; E71-Q75 PolarHBondContact O-N 2.86Å; V72-Q75 PolarHBondContact O-N 2.79Å; V72-Q75 VanDerWaalsContact O-N 3.14Å; L73-Q75 VanDerWaalsContact C-N 3.33Å; L73-Q75 PolarHBondContact O-N 3.16Å; Q75-E77 VanDerWaalsContact C-N 3.28Å; Q75-E77 PolarHBondContact O-N 3.02Å; Q75-T78 PolarHBondContact O-N 2.94Å; Q75-T78 VanDerWaalsContact O-N 3.1Å; Q75-T78 PolarHBondContact O-OG1 2.91Å
76L93.5Very high94.7Very high9 Ų957.9 Ų57.95%0.04731%0.305CS..Hα-helixtrans-64.9-30.9-178.9-66.9176.8000112.7E46 L49 V72 L73 T78 Q79 K80 L88E46-L76 HydrophobicContact CG-CD1 4.06Å; L49-L76 HydrophobicContact CD1-CD1 4.14Å; V72-L76 HydrophobicContact CG1-CD1 3.8Å; V72-L76 HydrophobicContact CG1-CG 4.21Å; V72-L76 WeakPolarHBondContact O-CG 3.41Å; V72-L76 PolarHBondContact O-N 2.78Å; L73-L76 PolarHBondContact O-N 2.93Å; L76-T78 PolarHBondContact O-N 2.97Å; L76-Q79 PolarHBondContact O-N 3.09Å; L76-K80 HydrophobicContact CB-CD 4.36Å; L76-K80 WeakPolarHBondContact O-CB 3.1Å; L76-K80 PolarHBondContact O-N 3.3Å; L76-L88 HydrophobicContact CB-CD2 4.23Å; L76-L88 HydrophobicContact CD1-CD2 3.78Å
77E92.3Very high94.6Very high66 Ų6660.6 Ų60.631%0.30833%0.328SS..Hα-helixtrans-53.3-32.3171.7-80.8171.7-169.600112.9L73 Q75 L85 R119L73-E77 WeakPolarHBondContact O-CG 3.28Å; L73-E77 PolarHBondContact O-N 2.72Å; Q75-E77 VanDerWaalsContact C-N 3.28Å; Q75-E77 PolarHBondContact O-N 3.02Å; E77-L85 HydrophobicContact CB-CD2 4.46Å; E77-L85 HydrophobicContact CG-CD2 4.18Å; E77-R119 IonicContact OE1-NE 3.36Å; E77-R119 IonicContact OE1-NH2 3.76Å; E77-R119 IonicContact OE2-CZ 2.59Å; E77-R119 IonicContact OE2-NE 3.02Å; E77-R119 IonicContact OE2-NH2 2.63Å; E77-R119 PolarHBondContact OE2-NH2 3.06Å
78T91.1Very high94.4Very high120 Ų12059 Ų5974%0.73632%0.319SS*.THydrogen-bonded Turntrans-85.5-15.2179.767.10000114.1Q75 L76Q75-T78 PolarHBondContact O-N 2.94Å; Q75-T78 VanDerWaalsContact O-N 3.1Å; Q75-T78 PolarHBondContact O-OG1 2.91Å; L76-T78 PolarHBondContact O-N 2.97Å
79Q92.9Very high94.3Very high124 Ų12460.1 Ų60.158%0.57933%0.326SS*.THydrogen-bonded Turntrans-110.2-29.1-169.1-65.6176.83.400113.1L76L76-Q79 PolarHBondContact O-N 3.09Å
80K93.1Very high94.2Very high51 Ų5166.8 Ų66.822%0.22236%0.355CS..SBendtrans-97.3154.2-173.2-71.4-171.5170.6-121.10112.7E46 L76 E84 L85E46-K80 WeakPolarHBondContact OE1-CE 3.44Å; E46-K80 IonicContact OE1-NZ 3.82Å; E46-K80 PolarHBondContact OE1-NZ 3.06Å; L76-K80 HydrophobicContact CB-CD 4.36Å; L76-K80 WeakPolarHBondContact O-CB 3.1Å; L76-K80 PolarHBondContact O-N 3.3Å; K80-E84 HydrophobicContact CB-CB 4.11Å; K80-E84 HydrophobicContact CD-CB 4.2Å; K80-L85 HydrophobicContact CB-CD2 3.96Å; K80-L85 HydrophobicContact CB-CG 3.83Å
81S94.1Very high94.2Very high47 Ų4768 Ų6833%0.32937%0.373SS..  trans-67.9158.3171.665.90000111.5E83 E84 L85S81-E83 PolarHBondContact O-N 3.18Å; S81-E84 WeakPolarHBondContact CB-OE2 3.44Å; S81-E84 PolarHBondContact N-OE2 2.98Å; S81-E84 PolarHBondContact O-N 3.09Å; S81-E84 VanDerWaalsContact OG-CD 3.29Å; S81-E84 VanDerWaalsContact OG-CG 3.27Å; S81-E84 WeakPolarHBondContact OG-CG 3.44Å; S81-E84 PolarHBondContact OG-N 2.82Å; S81-E84 PolarHBondContact OG-OE2 3.15Å; S81-L85 WeakPolarHBondContact O-CG 3.43Å; S81-L85 PolarHBondContact O-N 3.33Å
82P91.4Very high94.2Very high112 Ų11265.3 Ų65.373%0.72736%0.361SS*.Hα-helixtrans-55.8-35.4177.8-27.635.7000114.2L85 A86P82-L85 PolarHBondContact O-N 3.23Å; P82-A86 WeakPolarHBondContact O-CB 3.36Å; P82-A86 PolarHBondContact O-N 2.88Å
83E92.4Very high94.2Very high167 Ų16765.8 Ų65.878%0.7836%0.363SS*.Hα-helixtrans-68.4-43.2178.9-65.8177.9-174.800111.9S81 A86 A87S81-E83 PolarHBondContact O-N 3.18Å; E83-A86 PolarHBondContact O-N 2.72Å; E83-A87 PolarHBondContact O-N 2.79Å; E83-A87 VanDerWaalsContact O-N 3.09Å
84E93.2Very high94.2Very high97 Ų9766.8 Ų66.845%0.45338%0.375SS..Hα-helixtrans-67.3-37.5176.3-68.1168.7128.100111.6K80 S81 A87 L88K80-E84 HydrophobicContact CB-CB 4.11Å; K80-E84 HydrophobicContact CD-CB 4.2Å; S81-E84 WeakPolarHBondContact CB-OE2 3.44Å; S81-E84 PolarHBondContact N-OE2 2.98Å; S81-E84 PolarHBondContact O-N 3.09Å; S81-E84 VanDerWaalsContact OG-CD 3.29Å; S81-E84 VanDerWaalsContact OG-CG 3.27Å; S81-E84 WeakPolarHBondContact OG-CG 3.44Å; S81-E84 PolarHBondContact OG-N 2.82Å; S81-E84 PolarHBondContact OG-OE2 3.15Å; E84-A87 PolarHBondContact O-N 3.17Å; E84-L88 WeakPolarHBondContact O-CB 3.42Å; E84-L88 PolarHBondContact O-N 2.82Å
85L91.1Very high94.4Very high35 Ų3564.6 Ų64.618%0.18336%0.364CS..Hα-helixtrans-65.2-41.6174-72.6170.6000111.7E77 K80 S81 P82 A87 L88 V89E77-L85 HydrophobicContact CB-CD2 4.46Å; E77-L85 HydrophobicContact CG-CD2 4.18Å; K80-L85 HydrophobicContact CB-CD2 3.96Å; K80-L85 HydrophobicContact CB-CG 3.83Å; S81-L85 WeakPolarHBondContact O-CG 3.43Å; S81-L85 PolarHBondContact O-N 3.33Å; P82-L85 PolarHBondContact O-N 3.23Å; L85-A87 VanDerWaalsContact C-N 3.3Å; L85-A87 PolarHBondContact O-N 3.43Å; L85-L88 PolarHBondContact O-N 2.81Å; L85-V89 WeakPolarHBondContact O-CB 3.24Å; L85-V89 VanDerWaalsContact O-CG2 3.26Å; L85-V89 WeakPolarHBondContact O-CG2 3.44Å; L85-V89 PolarHBondContact O-N 3.43Å
86A92Very high94.5Very high63 Ų6361.4 Ų61.452%0.52135%0.35SS..Hα-helixtrans-60.4-40.6175.500000111.8P82 E83 K90P82-A86 WeakPolarHBondContact O-CB 3.36Å; P82-A86 PolarHBondContact O-N 2.88Å; E83-A86 PolarHBondContact O-N 2.72Å; A86-K90 WeakPolarHBondContact O-CB 3.42Å; A86-K90 PolarHBondContact O-N 3.41Å
87A94.8Very high94.7Very high60 Ų6061.8 Ų61.850%0.49635%0.351SS..Hα-helixtrans-64.1-42.8174.400000112.2E83 E84 L85 K90 A91E83-A87 PolarHBondContact O-N 2.79Å; E83-A87 VanDerWaalsContact O-N 3.09Å; E84-A87 PolarHBondContact O-N 3.17Å; L85-A87 VanDerWaalsContact C-N 3.3Å; L85-A87 PolarHBondContact O-N 3.43Å; A87-K90 PolarHBondContact O-N 3.08Å; A87-A91 PolarHBondContact O-N 2.89Å
88L95.1Very high95Very high26 Ų2661.4 Ų61.414%0.13636%0.356CS..Hα-helixtrans-63.6-46178.1-172.563.9000111.8L49 L73 L76 E84 L85 K90 A91 E92L49-L88 HydrophobicContact CD1-CD1 3.92Å; L73-L88 HydrophobicContact CD2-CD2 3.65Å; L73-L88 HydrophobicContact CD2-CG 3.87Å; L76-L88 HydrophobicContact CB-CD2 4.23Å; L76-L88 HydrophobicContact CD1-CD2 3.78Å; E84-L88 WeakPolarHBondContact O-CB 3.42Å; E84-L88 PolarHBondContact O-N 2.82Å; L85-L88 PolarHBondContact O-N 2.81Å; L88-K90 VanDerWaalsContact C-N 3.33Å; L88-K90 PolarHBondContact O-N 2.81Å; L88-A91 WeakPolarHBondContact O-CB 3.48Å; L88-A91 PolarHBondContact O-N 2.72Å; L88-E92 WeakPolarHBondContact O-CB 3.44Å; L88-E92 PolarHBondContact O-N 3.23Å
89V95.4Very high95.3Very high24 Ų2455.7 Ų55.715%0.14532%0.321CS..Hα-helixtrans-60.9-42.8175.61690000111L85 A91 E92 L93 L116 L120L85-V89 WeakPolarHBondContact O-CB 3.24Å; L85-V89 VanDerWaalsContact O-CG2 3.26Å; L85-V89 WeakPolarHBondContact O-CG2 3.44Å; L85-V89 PolarHBondContact O-N 3.43Å; V89-A91 VanDerWaalsContact C-N 3.32Å; V89-A91 PolarHBondContact O-N 3.41Å; V89-E92 PolarHBondContact O-N 2.86Å; V89-L93 HydrophobicContact CG1-CD1 4.05Å; V89-L93 HydrophobicContact CG1-CG 4.39Å; V89-L93 WeakPolarHBondContact O-CG 3.16Å; V89-L93 PolarHBondContact O-N 3.25Å; V89-L116 HydrophobicContact CG1-CD2 4.42Å; V89-L116 HydrophobicContact CG2-CD1 4.35Å; V89-L120 HydrophobicContact CB-CD2 4.23Å; V89-L120 HydrophobicContact CG1-CD1 3.6Å; V89-L120 HydrophobicContact CG1-CD2 3.61Å; V89-L120 HydrophobicContact CG1-CG 4.23Å; V89-L120 HydrophobicContact CG2-CD2 3.6Å
90K95.9Very high95.6Very high150 Ų15049.8 Ų49.865%0.65229%0.293SS*.Hα-helixtrans-61.4-42.7177.3-175.1178.8179.7-1800111.4A86 A87 L88 G94A86-K90 WeakPolarHBondContact O-CB 3.42Å; A86-K90 PolarHBondContact O-N 3.41Å; A87-K90 PolarHBondContact O-N 3.08Å; L88-K90 VanDerWaalsContact C-N 3.33Å; L88-K90 PolarHBondContact O-N 2.81Å; K90-G94 PolarHBondContact O-N 2.99Å; K90-G94 VanDerWaalsContact O-N 3.15Å
91A96.8Very high95.7Very high63 Ų6355 Ų5552%0.52131%0.311SS..Hα-helixtrans-63-44.4174.600000111.4A87 L88 V89 L93 G94 F95A87-A91 PolarHBondContact O-N 2.89Å; L88-A91 WeakPolarHBondContact O-CB 3.48Å; L88-A91 PolarHBondContact O-N 2.72Å; V89-A91 VanDerWaalsContact C-N 3.32Å; V89-A91 PolarHBondContact O-N 3.41Å; A91-L93 PolarHBondContact O-N 3Å; A91-G94 PolarHBondContact O-N 3.08Å; A91-F95 PolarHBondContact O-N 3.06Å
92E97.9Very high95.7Very high4 Ų456.4 Ų56.42%0.01932%0.318CS..Hα-helixtrans-61.4-45.4178.7-162.564.6-158.100111.8R69 L73 L88 V89 G94 F95 L96 H112 L116R69-E92 IonicContact CZ-OE1 2.87Å; R69-E92 IonicContact CZ-OE2 3.18Å; R69-E92 IonicContact NE-OE1 3.63Å; R69-E92 PolarHBondContact NE-OE1 2.61Å; R69-E92 IonicContact NE-OE2 3.86Å; R69-E92 VanDerWaalsContact NH2-CD 3.33Å; R69-E92 IonicContact NH2-OE1 2.7Å; R69-E92 PolarHBondContact NH2-OE1 3.43Å; R69-E92 IonicContact NH2-OE2 3.65Å; R69-E92 PolarHBondContact NH2-OE2 2.75Å; L73-E92 HydrophobicContact CD1-CG 4.04Å; L88-E92 WeakPolarHBondContact O-CB 3.44Å; L88-E92 PolarHBondContact O-N 3.23Å; V89-E92 PolarHBondContact O-N 2.86Å; E92-G94 VanDerWaalsContact C-N 3.3Å; E92-G94 PolarHBondContact O-N 3.02Å; E92-F95 PolarHBondContact O-N 2.97Å; E92-L96 HydrophobicContact CG-CD1 4.31Å; E92-L96 WeakPolarHBondContact O-CB 3.18Å; E92-L96 VanDerWaalsContact O-CG 3.28Å; E92-L96 WeakPolarHBondContact O-CG 3.4Å; E92-L96 PolarHBondContact O-N 3Å; E92-H112 IonicContact OE1-NE2 2.7Å; E92-H112 PolarHBondContact OE1-NE2 3.49Å; E92-L116 HydrophobicContact CB-CD2 3.86Å; E92-L116 HydrophobicContact CG-CD2 3.74Å
93L97.8Very high95.9Very high10 Ų1053 Ų535%0.05229%0.294CS..Hα-helixtrans-63-35.4176.8-71.1172.7000112.5V89 A91 L96 E97 R113 L116 L117V89-L93 HydrophobicContact CG1-CD1 4.05Å; V89-L93 HydrophobicContact CG1-CG 4.39Å; V89-L93 WeakPolarHBondContact O-CG 3.16Å; V89-L93 PolarHBondContact O-N 3.25Å; A91-L93 PolarHBondContact O-N 3Å; L93-L96 HydrophobicContact CD2-CD1 4.43Å; L93-E97 PolarHBondContact O-N 3.18Å; L93-E97 VanDerWaalsContact O-N 3.14Å; L93-R113 HydrophobicContact CD2-CG 4.26Å; L93-R113 PolarHBondContact O-NH1 3.41Å; L93-L116 HydrophobicContact CD2-CD2 3.78Å; L93-L116 HydrophobicContact CG-CD2 3.91Å; L93-L117 HydrophobicContact CD2-CD2 4.27Å; L93-L117 HydrophobicContact CD2-CG 4.33Å
94G97.9Very high96.1Very high27 Ų2747.1 Ų47.128%0.27827%0.269SS..Hα-helixtrans-70.9-37.617400000112.9K90 A91 E92 E97 S98K90-G94 PolarHBondContact O-N 2.99Å; K90-G94 VanDerWaalsContact O-N 3.15Å; A91-G94 PolarHBondContact O-N 3.08Å; E92-G94 VanDerWaalsContact C-N 3.3Å; E92-G94 PolarHBondContact O-N 3.02Å; G94-E97 PolarHBondContact O-N 2.73Å; G94-S98 PolarHBondContact O-N 3.16Å; G94-S98 VanDerWaalsContact O-N 3.08Å; G94-S98 PolarHBondContact O-OG 2.95Å
95F98.3Very high96.3Very high35 Ų3547.4 Ų47.415%0.15427%0.269CS..Hα-helixtrans-65.2-44.4174.4177.4-114.1000111.8S53 L56 W66 A91 E92 E97 S98 C99S53-F95 VanDerWaalsContact CA-CZ 3.49Å; L56-F95 HydrophobicContact CB-CE1 4.13Å; L56-F95 HydrophobicContact CB-CZ 3.75Å; L56-F95 HydrophobicContact CD1-CE1 4.41Å; W66-F95 HydrophobicContact CH2-CD1 4.03Å; W66-F95 AromaticContact CH2-CE1 3.53Å; W66-F95 HydrophobicContact CH2-CE1 3.53Å; W66-F95 HydrophobicContact CH2-CZ 4.42Å; W66-F95 HydrophobicContact CZ3-CD1 4.16Å; W66-F95 AromaticContact CZ3-CE1 3.81Å; W66-F95 HydrophobicContact CZ3-CE1 3.81Å; A91-F95 PolarHBondContact O-N 3.06Å; E92-F95 PolarHBondContact O-N 2.97Å; F95-E97 VanDerWaalsContact C-N 3.35Å; F95-E97 PolarHBondContact O-N 3.46Å; F95-S98 WeakPolarHBondContact O-CB 3.26Å; F95-S98 PolarHBondContact O-N 2.86Å; F95-S98 VanDerWaalsContact O-N 3.13Å; F95-C99 WeakPolarHBondContact CZ-SG 3.23Å; F95-C99 PolarHBondContact O-N 3.08Å; F95-C99 PolarHBondContact O-SG 3.09Å; F95-C99 VanDerWaalsContact O-SG 3.36Å
96L98.4Very high96.6Very high0 Ų045.8 Ų45.80%026%0.261CS..Hα-helixtrans-59.4-44174.4-72.2162.8000111.7W66 E92 L93 S98 C99 L100 T109 H112 R113 L116W66-L96 HydrophobicContact CE3-CD2 4.33Å; W66-L96 HydrophobicContact CH2-CD2 3.57Å; W66-L96 HydrophobicContact CZ2-CD2 4.34Å; W66-L96 HydrophobicContact CZ3-CD2 3.55Å; W66-L96 HydrophobicContact CZ3-CG 4.48Å; E92-L96 HydrophobicContact CG-CD1 4.31Å; E92-L96 WeakPolarHBondContact O-CB 3.18Å; E92-L96 VanDerWaalsContact O-CG 3.28Å; E92-L96 WeakPolarHBondContact O-CG 3.4Å; E92-L96 PolarHBondContact O-N 3Å; L93-L96 HydrophobicContact CD2-CD1 4.43Å; L96-S98 VanDerWaalsContact C-N 3.26Å; L96-S98 PolarHBondContact O-N 3.42Å; L96-C99 WeakPolarHBondContact O-CB 3.3Å; L96-C99 PolarHBondContact O-N 2.95Å; L96-L100 WeakPolarHBondContact O-CG 3.13Å; L96-L100 PolarHBondContact O-N 2.84Å; L96-T109 HydrophobicContact CD2-CG2 3.84Å; L96-H112 HydrophobicContact CD2-CB 4.13Å; L96-R113 HydrophobicContact CD1-CB 3.99Å; L96-R113 HydrophobicContact CD1-CG 4.09Å; L96-L116 HydrophobicContact CD1-CD2 4.15Å
97E97.8Very high96.9Very high17 Ų1750.3 Ų50.38%0.07927%0.265CS..Hα-helixtrans-60.1-39.2175.7-173.1177.4158.300111.4L93 G94 F95 L100 R101 R127 L131 R134 F135L93-E97 PolarHBondContact O-N 3.18Å; L93-E97 VanDerWaalsContact O-N 3.14Å; G94-E97 PolarHBondContact O-N 2.73Å; F95-E97 VanDerWaalsContact C-N 3.35Å; F95-E97 PolarHBondContact O-N 3.46Å; E97-L100 PolarHBondContact O-N 3.19Å; E97-R101 WeakPolarHBondContact O-CG 3.24Å; E97-R101 PolarHBondContact O-N 2.91Å; E97-R101 VanDerWaalsContact O-N 3.1Å; E97-R101 IonicContact OE1-CZ 2.73Å; E97-R101 IonicContact OE1-NE 3.46Å; E97-R101 IonicContact OE1-NH2 3.47Å; E97-R101 PolarHBondContact OE1-NH2 3.03Å; E97-R127 IonicContact OE2-NH2 3.58Å; E97-L131 HydrophobicContact CB-CD1 4.46Å; E97-L131 HydrophobicContact CG-CD1 4.22Å; E97-R134 IonicContact OE1-CZ 3.64Å; E97-R134 IonicContact OE1-NH1 3.98Å; E97-R134 PolarHBondContact OE1-NH1 3.41Å; E97-R134 IonicContact OE1-NH2 2.88Å; E97-R134 PolarHBondContact OE1-NH2 3.46Å; E97-R134 IonicContact OE2-NH2 3.79Å; E97-F135 HydrophobicContact CG-CE2 4.35Å
98S97.8Very high97Very high58 Ų5848.3 Ų48.341%0.40625%0.251SS..Hα-helixtrans-66.1-42.7175.6-56.30000111.9G94 F95 L96 L100 R101 V102G94-S98 PolarHBondContact O-N 3.16Å; G94-S98 VanDerWaalsContact O-N 3.08Å; G94-S98 PolarHBondContact O-OG 2.95Å; F95-S98 WeakPolarHBondContact O-CB 3.26Å; F95-S98 PolarHBondContact O-N 2.86Å; F95-S98 VanDerWaalsContact O-N 3.13Å; L96-S98 VanDerWaalsContact C-N 3.26Å; L96-S98 PolarHBondContact O-N 3.42Å; S98-L100 VanDerWaalsContact C-N 3.34Å; S98-L100 PolarHBondContact O-N 3.25Å; S98-R101 PolarHBondContact O-N 3.19Å; S98-V102 PolarHBondContact O-N 3Å
99C97.9Very high97.2Very high0 Ų047 Ų470%024%0.244CC..Hα-helixtrans-62.1-39.6174.8-70.50000112.3P60 W66 F95 L96 R101 V102 N103 T109P60-C99 HydrophobicContact CB-CB 3.95Å; W66-C99 HydrophobicContact CH2-CB 4.3Å; W66-C99 HydrophobicContact CZ2-CB 4.22Å; F95-C99 WeakPolarHBondContact CZ-SG 3.23Å; F95-C99 PolarHBondContact O-N 3.08Å; F95-C99 PolarHBondContact O-SG 3.09Å; F95-C99 VanDerWaalsContact O-SG 3.36Å; L96-C99 WeakPolarHBondContact O-CB 3.3Å; L96-C99 PolarHBondContact O-N 2.95Å; C99-R101 VanDerWaalsContact C-N 3.3Å; C99-R101 PolarHBondContact O-N 3.1Å; C99-V102 WeakPolarHBondContact O-CB 3.44Å; C99-V102 PolarHBondContact O-N 3.09Å; C99-V102 VanDerWaalsContact O-N 3.1Å; C99-N103 PolarHBondContact O-N 3.11Å; C99-T109 HydrophobicContact CB-CG2 3.65Å
100L97.8Very high97.3Very high0 Ų046.5 Ų46.50%024%0.239CC..Hα-helixtrans-66.7-30.4175.4-70.8175.7000112.3L96 E97 S98 V102 N103 P104 T109 W110 F135L96-L100 WeakPolarHBondContact O-CG 3.13Å; L96-L100 PolarHBondContact O-N 2.84Å; E97-L100 PolarHBondContact O-N 3.19Å; S98-L100 VanDerWaalsContact C-N 3.34Å; S98-L100 PolarHBondContact O-N 3.25Å; L100-V102 VanDerWaalsContact C-N 3.3Å; L100-N103 CarbonylContact O-C 3.56Å; L100-P104 WeakPolarHBondContact O-CA 3.46Å; L100-P104 WeakPolarHBondContact O-CB 3.5Å; L100-P104 WeakPolarHBondContact O-CD 3.25Å; L100-T109 HydrophobicContact CD2-CG2 3.6Å; L100-T109 HydrophobicContact CG-CG2 3.64Å; L100-W110 HydrophobicContact CD1-CD2 4.13Å; L100-W110 HydrophobicContact CD1-CE3 3.94Å; L100-W110 HydrophobicContact CD1-CH2 3.73Å; L100-W110 HydrophobicContact CD1-CZ2 3.92Å; L100-W110 HydrophobicContact CD1-CZ3 3.7Å; L100-W110 HydrophobicContact CD2-CD2 3.72Å; L100-W110 VanDerWaalsContact CD2-CE2 3.49Å; L100-W110 HydrophobicContact CD2-CE3 4.36Å; L100-W110 HydrophobicContact CD2-CG 3.92Å; L100-W110 HydrophobicContact CD2-CZ2 3.99Å; L100-F135 HydrophobicContact CB-CE1 3.6Å; L100-F135 HydrophobicContact CB-CE2 4.47Å; L100-F135 HydrophobicContact CB-CZ 3.43Å; L100-F135 VanDerWaalsContact CB-CZ 3.43Å; L100-F135 HydrophobicContact CD1-CZ 4.24Å; L100-F135 HydrophobicContact CG-CZ 4.49Å
101R96.2Very high97.4Very high160 Ų16044.8 Ų44.860%0.60423%0.233SC*.Hα-helixtrans-69.1-29.1171.2-67177-156.6163.44.4112.5E97 S98 C99 F135E97-R101 WeakPolarHBondContact O-CG 3.24Å; E97-R101 PolarHBondContact O-N 2.91Å; E97-R101 VanDerWaalsContact O-N 3.1Å; E97-R101 IonicContact OE1-CZ 2.73Å; E97-R101 IonicContact OE1-NE 3.46Å; E97-R101 IonicContact OE1-NH2 3.47Å; E97-R101 PolarHBondContact OE1-NH2 3.03Å; S98-R101 PolarHBondContact O-N 3.19Å; C99-R101 VanDerWaalsContact C-N 3.3Å; C99-R101 PolarHBondContact O-N 3.1Å; R101-F135 HydrophobicContact CG-CZ 4.34Å
102V95Very high97.5Very high77 Ų7741.8 Ų41.847%0.46721%0.209SC..Hα-helixtrans-72.6-47.6175.7174.60000110.9G57 P60 S98 C99 L100G57-V102 WeakPolarHBondContact O-CG2 3.34Å; P60-V102 HydrophobicContact CG-CB 4.38Å; P60-V102 HydrophobicContact CG-CG1 4.18Å; S98-V102 PolarHBondContact O-N 3Å; C99-V102 WeakPolarHBondContact O-CB 3.44Å; C99-V102 PolarHBondContact O-N 3.09Å; C99-V102 VanDerWaalsContact O-N 3.1Å; L100-V102 VanDerWaalsContact C-N 3.3Å
103N95.7Very high97.5Very high41 Ų4141.6 Ų41.622%0.21921%0.208CC..  trans-140.3100.4171.1-177.59000110.5P60 D61 C99 L100 K105 S106P60-N103 HydrophobicContact CG-CB 3.8Å; D61-N103 PolarHBondContact OD2-ND2 3.19Å; C99-N103 PolarHBondContact O-N 3.11Å; L100-N103 CarbonylContact O-C 3.56Å; N103-K105 PolarHBondContact O-N 2.85Å; N103-K105 PolarHBondContact OD1-N 2.68Å; N103-S106 WeakPolarHBondContact O-CB 3.42Å; N103-S106 PolarHBondContact O-N 3.15Å; N103-S106 VanDerWaalsContact O-N 3.15Å
104P96.6Very high97.6Very high42 Ų4242.5 Ų42.527%0.27322%0.215SC..THydrogen-bonded Turntrans-70.5-5.8-17927.4-34.5000113.2L100 W110 F135 N142L100-P104 WeakPolarHBondContact O-CA 3.46Å; L100-P104 WeakPolarHBondContact O-CB 3.5Å; L100-P104 WeakPolarHBondContact O-CD 3.25Å; P104-W110 PolarHBondContact O-NE1 2.81Å; P104-F135 HydrophobicContact CB-CD1 4.25Å; P104-F135 HydrophobicContact CB-CE1 4.22Å; P104-N142 PolarHBondContact O-ND2 3.22Å
105K96.3Very high97.6Very high104 Ų10443.6 Ų43.645%0.45221%0.21SC..THydrogen-bonded Turntrans-108.517.5178.7-55-172.9-178.7-1730112.3N103 Y107 D139 H144N103-K105 PolarHBondContact O-N 2.85Å; N103-K105 PolarHBondContact OD1-N 2.68Å; K105-Y107 PolarHBondContact O-N 3.47Å; K105-D139 WeakPolarHBondContact CE-OD2 3.38Å; K105-D139 IonicContact NZ-OD2 3.54Å; K105-D139 PolarHBondContact NZ-OD2 2.95Å; K105-H144 PolarHBondContact O-NE2 3.33Å
106S97.6Very high97.6Very high0 Ų042 Ų420%020%0.204CC..  trans-77.5107.3178.9-177.40000111.5P60 D61 N103 G108 T109 W110P60-S106 PolarHBondContact O-OG 2.8Å; D61-S106 VanDerWaalsContact OD1-CA 3.31Å; D61-S106 WeakPolarHBondContact OD1-CA 3.45Å; D61-S106 WeakPolarHBondContact OD1-CB 3.46Å; D61-S106 PolarHBondContact OD1-OG 3Å; N103-S106 WeakPolarHBondContact O-CB 3.42Å; N103-S106 PolarHBondContact O-N 3.15Å; N103-S106 VanDerWaalsContact O-N 3.15Å; S106-G108 VanDerWaalsContact C-N 3.33Å; S106-G108 PolarHBondContact O-N 3.01Å; S106-T109 WeakPolarHBondContact CB-OG1 3.32Å; S106-T109 PolarHBondContact O-N 3.39Å; S106-T109 PolarHBondContact OG-OG1 2.66Å; S106-W110 VanDerWaalsContact O-CD1 3.27Å; S106-W110 PolarHBondContact O-N 3.47Å
107Y97.7Very high97.5Very high158 Ų15842.1 Ų42.162%0.6220%0.204SC*.Hα-helixtrans-56.4-45.7175.7-78.8-82.5000112.5K105 T109 W110 H111 F143 H144K105-Y107 PolarHBondContact O-N 3.47Å; Y107-T109 VanDerWaalsContact C-N 3.29Å; Y107-T109 PolarHBondContact O-N 2.91Å; Y107-W110 PolarHBondContact O-N 2.94Å; Y107-H111 VanDerWaalsContact O-CB 3.23Å; Y107-H111 WeakPolarHBondContact O-CB 3.48Å; Y107-H111 PolarHBondContact O-N 2.98Å; Y107-F143 WeakPolarHBondContact OH-CZ 3.2Å; Y107-H144 AromaticContact CD1-CE1 3.79Å; Y107-H144 AromaticContact CD1-ND1 3.95Å; Y107-H144 AromaticContact CD2-CE1 3.74Å; Y107-H144 AromaticContact CE1-CE1 3.54Å; Y107-H144 AromaticContact CE1-ND1 3.85Å; Y107-H144 AromaticContact CE2-CE1 3.49Å; Y107-H144 VanDerWaalsContact CE2-CE1 3.49Å; Y107-H144 WeakPolarHBondContact CE2-CE1 3.21Å; Y107-H144 AromaticContact CG-CE1 3.89Å; Y107-H144 AromaticContact CZ-CE1 3.39Å
108G97.4Very high97.4Very high18 Ų1843.8 Ų43.819%0.18623%0.226CC..Hα-helixtrans-61.3-39.2-177.600000112.5S106 H112S106-G108 VanDerWaalsContact C-N 3.33Å; S106-G108 PolarHBondContact O-N 3.01Å; G108-H112 VanDerWaalsContact O-CB 3.3Å; G108-H112 WeakPolarHBondContact O-CB 3.48Å; G108-H112 PolarHBondContact O-N 3.34Å
109T98.4Very high97.1Very high0 Ų046.3 Ų46.30%023%0.226CC..Hα-helixtrans-69.8-49.7-179.7-50.90000111.7P60 W66 L96 C99 L100 S106 Y107 H111 H112 R113P60-T109 WeakPolarHBondContact CB-OG1 3.38Å; W66-T109 HydrophobicContact CH2-CG2 4.39Å; W66-T109 HydrophobicContact CZ2-CG2 4.04Å; W66-T109 WeakPolarHBondContact CZ2-OG1 3.44Å; L96-T109 HydrophobicContact CD2-CG2 3.84Å; C99-T109 HydrophobicContact CB-CG2 3.65Å; L100-T109 HydrophobicContact CD2-CG2 3.6Å; L100-T109 HydrophobicContact CG-CG2 3.64Å; S106-T109 WeakPolarHBondContact CB-OG1 3.32Å; S106-T109 PolarHBondContact O-N 3.39Å; S106-T109 PolarHBondContact OG-OG1 2.66Å; Y107-T109 VanDerWaalsContact C-N 3.29Å; Y107-T109 PolarHBondContact O-N 2.91Å; T109-H111 VanDerWaalsContact C-N 3.34Å; T109-H111 PolarHBondContact O-N 3.36Å; T109-H112 PolarHBondContact O-N 3Å; T109-R113 PolarHBondContact O-N 3.23Å
110W98.4Very high96.9Very high12 Ų1248 Ų485%0.04524%0.236CC..Hα-helixtrans-59.3-45.3176-77.3115.4000111.6L100 P104 S106 Y107 H112 R113 C114 L131 F135 H144 C145 Y148L100-W110 HydrophobicContact CD1-CD2 4.13Å; L100-W110 HydrophobicContact CD1-CE3 3.94Å; L100-W110 HydrophobicContact CD1-CH2 3.73Å; L100-W110 HydrophobicContact CD1-CZ2 3.92Å; L100-W110 HydrophobicContact CD1-CZ3 3.7Å; L100-W110 HydrophobicContact CD2-CD2 3.72Å; L100-W110 VanDerWaalsContact CD2-CE2 3.49Å; L100-W110 HydrophobicContact CD2-CE3 4.36Å; L100-W110 HydrophobicContact CD2-CG 3.92Å; L100-W110 HydrophobicContact CD2-CZ2 3.99Å; P104-W110 PolarHBondContact O-NE1 2.81Å; S106-W110 VanDerWaalsContact O-CD1 3.27Å; S106-W110 PolarHBondContact O-N 3.47Å; Y107-W110 PolarHBondContact O-N 2.94Å; W110-H112 PolarHBondContact O-N 2.93Å; W110-R113 WeakPolarHBondContact O-CB 3.25Å; W110-R113 PolarHBondContact O-N 3.45Å; W110-C114 PolarHBondContact O-N 3Å; W110-C114 PolarHBondContact O-SG 3.43Å; W110-C114 VanDerWaalsContact O-SG 3.41Å; W110-L131 HydrophobicContact CH2-CD2 3.89Å; W110-L131 HydrophobicContact CZ3-CD2 4.04Å; W110-F135 HydrophobicContact CZ2-CD1 4.46Å; W110-H144 VanDerWaalsContact CD1-CB 3.46Å; W110-H144 HydrophobicContact CG-CB 4.18Å; W110-C145 HydrophobicContact CH2-CB 4.14Å; W110-C145 HydrophobicContact CZ2-CB 3.9Å; W110-Y148 AromaticContact CE3-CD1 3.82Å; W110-Y148 HydrophobicContact CE3-CD1 3.82Å; W110-Y148 AromaticContact CE3-CD2 3.67Å; W110-Y148 HydrophobicContact CE3-CD2 3.67Å; W110-Y148 HydrophobicContact CE3-CE1 4.39Å; W110-Y148 HydrophobicContact CE3-CE2 4.29Å; W110-Y148 AromaticContact CE3-CG 3.4Å; W110-Y148 HydrophobicContact CE3-CG 3.4Å; W110-Y148 HydrophobicContact CH2-CD1 4.12Å; W110-Y148 HydrophobicContact CH2-CG 4.38Å; W110-Y148 AromaticContact CZ3-CD1 3.23Å; W110-Y148 HydrophobicContact CZ3-CD1 3.23Å; W110-Y148 AromaticContact CZ3-CD2 3.99Å; W110-Y148 HydrophobicContact CZ3-CD2 3.99Å; W110-Y148 AromaticContact CZ3-CE1 3.77Å; W110-Y148 HydrophobicContact CZ3-CE1 3.77Å; W110-Y148 HydrophobicContact CZ3-CE2 4.47Å; W110-Y148 AromaticContact CZ3-CG 3.34Å; W110-Y148 HydrophobicContact CZ3-CG 3.34Å
111H98.4Very high96.4Very high114 Ų11454.2 Ų54.253%0.52828%0.275SS..Hα-helixtrans-63-42.5178.4-178.269.8000112.5Y107 T109 R113 C114 W115Y107-H111 VanDerWaalsContact O-CB 3.23Å; Y107-H111 WeakPolarHBondContact O-CB 3.48Å; Y107-H111 PolarHBondContact O-N 2.98Å; T109-H111 VanDerWaalsContact C-N 3.34Å; T109-H111 PolarHBondContact O-N 3.36Å; H111-R113 VanDerWaalsContact C-N 3.28Å; H111-R113 PolarHBondContact O-N 3.06Å; H111-C114 PolarHBondContact O-N 3.09Å; H111-W115 WeakPolarHBondContact O-CB 3.23Å; H111-W115 PolarHBondContact O-N 2.78Å
112H98.6Very high96.2Very high0 Ų055.2 Ų55.20%029%0.287CS..Hα-helixtrans-62.8-37.1176.3-171.899.1000111.5W66 R70 E92 L96 G108 T109 W110 W115 L116W66-H112 HydrophobicContact CB-CB 4.46Å; W66-H112 HydrophobicContact CD2-CB 4.09Å; W66-H112 HydrophobicContact CE3-CB 3.9Å; W66-H112 AromaticContact CE3-CD2 3.92Å; W66-H112 AromaticContact CE3-CG 3.52Å; W66-H112 AromaticContact CE3-ND1 3.59Å; W66-H112 HydrophobicContact CG-CB 4.36Å; W66-H112 PolarHBondContact O-ND1 2.92Å; R70-H112 VanDerWaalsContact CG-CE1 3.45Å; R70-H112 WeakPolarHBondContact CG-CE1 3.45Å; R70-H112 PolarHBondContact NH1-ND1 3.22Å; E92-H112 IonicContact OE1-NE2 2.7Å; E92-H112 PolarHBondContact OE1-NE2 3.49Å; L96-H112 HydrophobicContact CD2-CB 4.13Å; G108-H112 VanDerWaalsContact O-CB 3.3Å; G108-H112 WeakPolarHBondContact O-CB 3.48Å; G108-H112 PolarHBondContact O-N 3.34Å; T109-H112 PolarHBondContact O-N 3Å; W110-H112 PolarHBondContact O-N 2.93Å; H112-W115 PolarHBondContact O-N 2.96Å; H112-L116 WeakPolarHBondContact O-CB 3.36Å; H112-L116 PolarHBondContact O-N 3.48Å
113R98.5Very high96.2Very high0 Ų052.8 Ų52.80%027%0.273CS..Hα-helixtrans-63.9-43.8174-163.9179.1-172.781.74.6112.6L93 L96 T109 W110 H111 L116 L117 E128 Y148L93-R113 HydrophobicContact CD2-CG 4.26Å; L93-R113 PolarHBondContact O-NH1 3.41Å; L96-R113 HydrophobicContact CD1-CB 3.99Å; L96-R113 HydrophobicContact CD1-CG 4.09Å; T109-R113 PolarHBondContact O-N 3.23Å; W110-R113 WeakPolarHBondContact O-CB 3.25Å; W110-R113 PolarHBondContact O-N 3.45Å; H111-R113 VanDerWaalsContact C-N 3.28Å; H111-R113 PolarHBondContact O-N 3.06Å; R113-L116 PolarHBondContact O-N 3.43Å; R113-L117 HydrophobicContact CG-CD1 4.11Å; R113-L117 WeakPolarHBondContact O-CG 3.42Å; R113-L117 PolarHBondContact O-N 3.43Å; R113-L117 VanDerWaalsContact O-N 3.09Å; R113-E128 IonicContact CZ-OE1 2.73Å; R113-E128 IonicContact CZ-OE2 2.69Å; R113-E128 IonicContact NE-OE1 3.79Å; R113-E128 IonicContact NE-OE2 3.81Å; R113-E128 PolarHBondContact NE-OE2 3.37Å; R113-E128 IonicContact NH2-OE1 2.59Å; R113-E128 PolarHBondContact NH2-OE1 3.33Å; R113-E128 IonicContact NH2-OE2 3.51Å; R113-E128 PolarHBondContact NH2-OE2 3.25Å; R113-Y148 HydrophobicContact CB-CE2 4.3Å; R113-Y148 VanDerWaalsContact CD-OH 3.24Å; R113-Y148 WeakPolarHBondContact CD-OH 3.08Å; R113-Y148 HydrophobicContact CG-CE2 4.1Å; R113-Y148 WeakPolarHBondContact CG-OH 3.43Å; R113-Y148 PolarHBondContact NE-OH 3.23Å; R113-Y148 VanDerWaalsContact NE-OH 3.13Å
114C98.4Very high96.2Very high30 Ų3055.7 Ų55.720%0.20329%0.289CS..Hα-helixtrans-60.1-46173.2-63.70000111.8W110 H111 L116 L117 G118 Y148 F151W110-C114 PolarHBondContact O-N 3Å; W110-C114 PolarHBondContact O-SG 3.43Å; W110-C114 VanDerWaalsContact O-SG 3.41Å; H111-C114 PolarHBondContact O-N 3.09Å; C114-L116 VanDerWaalsContact C-N 3.31Å; C114-L116 PolarHBondContact O-N 2.86Å; C114-L117 PolarHBondContact O-N 2.86Å; C114-G118 PolarHBondContact O-N 3.37Å; C114-Y148 VanDerWaalsContact SG-CD2 3.5Å; C114-F151 HydrophobicContact CB-CD1 4.43Å; C114-F151 HydrophobicContact CB-CE1 4.05Å; C114-F151 HydrophobicContact CB-CE2 4.31Å; C114-F151 HydrophobicContact CB-CZ 3.99Å
115W98.3Very high96.3Very high49 Ų4956 Ų5619%0.18628%0.284CS..Hα-helixtrans-58.4-44.2178.3170.887.5000111.7R70 L73 Q74 H111 H112 R119R70-W115 HydrophobicContact CB-CH2 3.91Å; R70-W115 HydrophobicContact CB-CZ2 3.83Å; R70-W115 HydrophobicContact CB-CZ3 4.29Å; R70-W115 VanDerWaalsContact CD-CG 3.43Å; R70-W115 HydrophobicContact CG-CD2 3.65Å; R70-W115 HydrophobicContact CG-CE3 3.58Å; R70-W115 HydrophobicContact CG-CG 4.37Å; R70-W115 HydrophobicContact CG-CH2 3.79Å; R70-W115 HydrophobicContact CG-CZ2 3.82Å; R70-W115 HydrophobicContact CG-CZ3 3.67Å; L73-W115 HydrophobicContact CB-CH2 4.07Å; L73-W115 HydrophobicContact CB-CZ3 4.44Å; L73-W115 HydrophobicContact CD1-CH2 4.34Å; L73-W115 HydrophobicContact CD1-CZ3 3.88Å; Q74-W115 HydrophobicContact CG-CH2 4.19Å; Q74-W115 HydrophobicContact CG-CZ2 3.76Å; H111-W115 WeakPolarHBondContact O-CB 3.23Å; H111-W115 PolarHBondContact O-N 2.78Å; H112-W115 PolarHBondContact O-N 2.96Å; W115-R119 VanDerWaalsContact CE2-CD 3.45Å; W115-R119 WeakPolarHBondContact O-CG 3.39Å
116L97.6Very high96.3Very high3 Ų354.4 Ų54.42%0.01629%0.29CS..Hα-helixtrans-64.4-52.4-179.5-177.863.3000110.8V89 E92 L93 L96 H112 R113 C114 G118 R119 L120V89-L116 HydrophobicContact CG1-CD2 4.42Å; V89-L116 HydrophobicContact CG2-CD1 4.35Å; E92-L116 HydrophobicContact CB-CD2 3.86Å; E92-L116 HydrophobicContact CG-CD2 3.74Å; L93-L116 HydrophobicContact CD2-CD2 3.78Å; L93-L116 HydrophobicContact CG-CD2 3.91Å; L96-L116 HydrophobicContact CD1-CD2 4.15Å; H112-L116 WeakPolarHBondContact O-CB 3.36Å; H112-L116 PolarHBondContact O-N 3.48Å; R113-L116 PolarHBondContact O-N 3.43Å; C114-L116 VanDerWaalsContact C-N 3.31Å; C114-L116 PolarHBondContact O-N 2.86Å; L116-G118 PolarHBondContact O-N 3.35Å; L116-R119 PolarHBondContact O-N 3.11Å; L116-L120 WeakPolarHBondContact O-CG 3.43Å; L116-L120 PolarHBondContact O-N 3.07Å
117L97Very high96.3Very high2 Ų257.9 Ų57.91%0.0130%0.304CS..Hα-helixtrans-64.9-36.9-177.3-71.9163000113L93 R113 C114 R119 L120 P123 W125 E128 Y148L93-L117 HydrophobicContact CD2-CD2 4.27Å; L93-L117 HydrophobicContact CD2-CG 4.33Å; R113-L117 HydrophobicContact CG-CD1 4.11Å; R113-L117 WeakPolarHBondContact O-CG 3.42Å; R113-L117 PolarHBondContact O-N 3.43Å; R113-L117 VanDerWaalsContact O-N 3.09Å; C114-L117 PolarHBondContact O-N 2.86Å; L117-R119 PolarHBondContact O-N 3.08Å; L117-R119 VanDerWaalsContact O-N 3.08Å; L117-L120 HydrophobicContact CD2-CD1 4.01Å; L117-L120 PolarHBondContact O-N 2.95Å; L117-P123 HydrophobicContact CD2-CB 4.07Å; L117-W125 HydrophobicContact CB-CH2 4.12Å; L117-W125 HydrophobicContact CB-CZ3 4.1Å; L117-W125 HydrophobicContact CD1-CZ3 4.27Å; L117-E128 HydrophobicContact CD1-CG 3.82Å; L117-E128 HydrophobicContact CD2-CG 4.15Å; L117-Y148 HydrophobicContact CD1-CE2 4.36Å; L117-Y148 WeakPolarHBondContact CD1-OH 3.38Å
118G94.8Very high96.3Very high51 Ų5150.5 Ų50.553%0.52628%0.275SS..THydrogen-bonded Turntrans-66.2-6.8177.700000114.6C114 L116C114-G118 PolarHBondContact O-N 3.37Å; L116-G118 PolarHBondContact O-N 3.35Å
119R93Very high96.4Very high111 Ų11151.4 Ų51.442%0.41928%0.275SS..THydrogen-bonded Turntrans-109.5-14.7177.2-64.4175.463.572.30.9113.6E77 W115 L116 L117E77-R119 IonicContact OE1-NE 3.36Å; E77-R119 IonicContact OE1-NH2 3.76Å; E77-R119 IonicContact OE2-CZ 2.59Å; E77-R119 IonicContact OE2-NE 3.02Å; E77-R119 IonicContact OE2-NH2 2.63Å; E77-R119 PolarHBondContact OE2-NH2 3.06Å; W115-R119 VanDerWaalsContact CE2-CD 3.45Å; W115-R119 WeakPolarHBondContact O-CG 3.39Å; L116-R119 PolarHBondContact O-N 3.11Å; L117-R119 PolarHBondContact O-N 3.08Å; L117-R119 VanDerWaalsContact O-N 3.08Å
120L92.6Very high96.3Very high37 Ų3756.6 Ų56.619%0.19430%0.3CS..  trans-71.8138.4-178.3-60.2180000109.7V89 L116 L117 E122 P123V89-L120 HydrophobicContact CB-CD2 4.23Å; V89-L120 HydrophobicContact CG1-CD1 3.6Å; V89-L120 HydrophobicContact CG1-CD2 3.61Å; V89-L120 HydrophobicContact CG1-CG 4.23Å; V89-L120 HydrophobicContact CG2-CD2 3.6Å; L116-L120 WeakPolarHBondContact O-CG 3.43Å; L116-L120 PolarHBondContact O-N 3.07Å; L117-L120 HydrophobicContact CD2-CD1 4.01Å; L117-L120 PolarHBondContact O-N 2.95Å; L120-E122 VanDerWaalsContact C-N 3.35Å; L120-P123 HydrophobicContact CB-CB 4.41Å; L120-P123 HydrophobicContact CB-CG 4Å
121P88.8Confident96.3Very high129 Ų12956.1 Ų56.184%0.83830%0.298SS*.SBendtrans-65.7-39.8177.525.5-32.8000111.6
122E91.3Very high96.3Very high182 Ų18250.7 Ų50.785%0.8527%0.272SS*.SBendtrans-133.882.8179.4-65.9-173.5162.300110.6L120L120-E122 VanDerWaalsContact C-N 3.35Å
123P94.7Very high96.1Very high26 Ų2651.8 Ų51.817%0.16928%0.282CS..  trans-70.8139.9176.6-9.524000111.6L117 L120 W125L117-P123 HydrophobicContact CD2-CB 4.07Å; L120-P123 HydrophobicContact CB-CB 4.41Å; L120-P123 HydrophobicContact CB-CG 4Å; P123-W125 HydrophobicContact CB-CD2 3.96Å; P123-W125 HydrophobicContact CB-CE3 4.24Å; P123-W125 HydrophobicContact CB-CH2 3.93Å; P123-W125 HydrophobicContact CB-CZ2 3.62Å; P123-W125 HydrophobicContact CB-CZ3 4.24Å; P123-W125 HydrophobicContact CG-CH2 3.99Å; P123-W125 HydrophobicContact CG-CZ2 3.42Å; P123-W125 VanDerWaalsContact CG-CZ2 3.42Å; P123-W125 PolarHBondContact O-N 2.92Å; P123-W125 VanDerWaalsContact O-N 3.11Å
124N96.6Very high96Very high102 Ų10256 Ų5655%0.54530%0.298SS..  trans-83.684.8172.9-174.9-23.6000110.5A126 R127 E128N124-A126 VanDerWaalsContact C-N 3.32Å; N124-A126 PolarHBondContact O-N 3.47Å; N124-A126 PolarHBondContact OD1-N 2.97Å; N124-R127 HydrophobicContact CB-CB 4.36Å; N124-R127 WeakPolarHBondContact O-CB 3.37Å; N124-R127 PolarHBondContact O-N 2.86Å; N124-R127 PolarHBondContact OD1-N 3.24Å; N124-R127 VanDerWaalsContact OD1-N 3.08Å; N124-E128 PolarHBondContact O-N 3.03Å
125W97.6Very high95.9Very high47 Ų4755.8 Ų55.818%0.17829%0.293CS..Hα-helixtrans-65.5-30.6-177.4-60.1124.3000114.3L117 P123 R127 E128 L129 F151 V152 Q155 A156L117-W125 HydrophobicContact CB-CH2 4.12Å; L117-W125 HydrophobicContact CB-CZ3 4.1Å; L117-W125 HydrophobicContact CD1-CZ3 4.27Å; P123-W125 HydrophobicContact CB-CD2 3.96Å; P123-W125 HydrophobicContact CB-CE3 4.24Å; P123-W125 HydrophobicContact CB-CH2 3.93Å; P123-W125 HydrophobicContact CB-CZ2 3.62Å; P123-W125 HydrophobicContact CB-CZ3 4.24Å; P123-W125 HydrophobicContact CG-CH2 3.99Å; P123-W125 HydrophobicContact CG-CZ2 3.42Å; P123-W125 VanDerWaalsContact CG-CZ2 3.42Å; P123-W125 PolarHBondContact O-N 2.92Å; P123-W125 VanDerWaalsContact O-N 3.11Å; W125-R127 VanDerWaalsContact C-N 3.3Å; W125-R127 PolarHBondContact O-N 3.12Å; W125-E128 HydrophobicContact CE3-CG 4.41Å; W125-E128 PolarHBondContact O-N 3.24Å; W125-L129 PolarHBondContact O-N 2.92Å; W125-F151 HydrophobicContact CZ3-CE1 4.43Å; W125-V152 HydrophobicContact CE3-CG1 3.94Å; W125-V152 HydrophobicContact CE3-CG2 4.48Å; W125-V152 HydrophobicContact CZ3-CG2 4.45Å; W125-Q155 HydrophobicContact CH2-CB 3.41Å; W125-Q155 VanDerWaalsContact CH2-CB 3.41Å; W125-Q155 HydrophobicContact CH2-CG 3.94Å; W125-Q155 HydrophobicContact CZ2-CB 3.42Å; W125-Q155 VanDerWaalsContact CZ2-CB 3.42Å; W125-Q155 HydrophobicContact CZ2-CG 4.32Å; W125-Q155 HydrophobicContact CZ3-CB 4.04Å; W125-A156 HydrophobicContact CB-CB 3.63Å; W125-A156 HydrophobicContact CD2-CB 4.03Å; W125-A156 HydrophobicContact CG-CB 3.49Å; W125-A156 VanDerWaalsContact CG-CB 3.49Å
126A97.1Very high95.7Very high71 Ų7153.5 Ų53.559%0.58729%0.285SS*.Hα-helixtrans-60.7-41.1176.400000111.6N124 E128 L129 E130N124-A126 VanDerWaalsContact C-N 3.32Å; N124-A126 PolarHBondContact O-N 3.47Å; N124-A126 PolarHBondContact OD1-N 2.97Å; A126-E128 VanDerWaalsContact C-N 3.29Å; A126-E128 PolarHBondContact O-N 3.35Å; A126-L129 PolarHBondContact O-N 3.47Å; A126-E130 WeakPolarHBondContact O-CB 3.5Å; A126-E130 PolarHBondContact O-N 2.68Å
127R97.1Very high95.5Very high74 Ų7458.9 Ų58.928%0.27931%0.31SS..Hα-helixtrans-60.8-39.3173.1-179.7-171.9172.7-170.1-2.8111.8E97 N124 W125 E130 L131E97-R127 IonicContact OE2-NH2 3.58Å; N124-R127 HydrophobicContact CB-CB 4.36Å; N124-R127 WeakPolarHBondContact O-CB 3.37Å; N124-R127 PolarHBondContact O-N 2.86Å; N124-R127 PolarHBondContact OD1-N 3.24Å; N124-R127 VanDerWaalsContact OD1-N 3.08Å; W125-R127 VanDerWaalsContact C-N 3.3Å; W125-R127 PolarHBondContact O-N 3.12Å; R127-E130 PolarHBondContact O-N 3.39Å; R127-L131 WeakPolarHBondContact O-CB 3.36Å; R127-L131 PolarHBondContact O-N 3.04Å
128E98.3Very high95.2Very high2 Ų265.1 Ų65.11%0.00935%0.348CS..Hα-helixtrans-73.8-36.9-177.4-58.3-51.6140.700112.3R113 L117 N124 W125 A126 L131 C132 Y148 V152R113-E128 IonicContact CZ-OE1 2.73Å; R113-E128 IonicContact CZ-OE2 2.69Å; R113-E128 IonicContact NE-OE1 3.79Å; R113-E128 IonicContact NE-OE2 3.81Å; R113-E128 PolarHBondContact NE-OE2 3.37Å; R113-E128 IonicContact NH2-OE1 2.59Å; R113-E128 PolarHBondContact NH2-OE1 3.33Å; R113-E128 IonicContact NH2-OE2 3.51Å; R113-E128 PolarHBondContact NH2-OE2 3.25Å; L117-E128 HydrophobicContact CD1-CG 3.82Å; L117-E128 HydrophobicContact CD2-CG 4.15Å; N124-E128 PolarHBondContact O-N 3.03Å; W125-E128 HydrophobicContact CE3-CG 4.41Å; W125-E128 PolarHBondContact O-N 3.24Å; A126-E128 VanDerWaalsContact C-N 3.29Å; A126-E128 PolarHBondContact O-N 3.35Å; E128-L131 WeakPolarHBondContact O-CB 3.34Å; E128-L131 PolarHBondContact O-N 3.28Å; E128-C132 PolarHBondContact O-N 3.01Å; E128-C132 PolarHBondContact O-SG 3Å; E128-Y148 PolarHBondContact OE2-OH 3.29Å; E128-V152 HydrophobicContact CB-CG1 3.96Å; E128-V152 HydrophobicContact CB-CG2 3.81Å
129L97.9Very high95.1Very high38 Ų3864.8 Ų64.820%0.19933%0.334CS..Hα-helixtrans-63.4-41.8171-69.8172.2000111.6W125 A126 C132 A133 R149 V152 V158W125-L129 PolarHBondContact O-N 2.92Å; A126-L129 PolarHBondContact O-N 3.47Å; L129-C132 WeakPolarHBondContact O-CB 3.46Å; L129-C132 PolarHBondContact O-N 3.02Å; L129-A133 PolarHBondContact O-N 3.32Å; L129-R149 HydrophobicContact CD2-CG 4.46Å; L129-V152 HydrophobicContact CD2-CB 4.49Å; L129-V152 HydrophobicContact CD2-CG1 3.73Å; L129-V152 HydrophobicContact CG-CG1 3.83Å; L129-V158 HydrophobicContact CD1-CG2 4.14Å
130E97.5Very high95Very high109 Ų10961.8 Ų61.851%0.50933%0.325SS..Hα-helixtrans-65.7-37.8174.8-178.357.4-145.300111.9A126 R127 C132 A133 R134A126-E130 WeakPolarHBondContact O-CB 3.5Å; A126-E130 PolarHBondContact O-N 2.68Å; R127-E130 PolarHBondContact O-N 3.39Å; E130-C132 VanDerWaalsContact C-N 3.34Å; E130-A133 PolarHBondContact O-N 3.21Å; E130-R134 WeakPolarHBondContact O-CG 3.33Å; E130-R134 PolarHBondContact O-N 2.93Å
131L97.8Very high94.9Very high1 Ų167.9 Ų67.91%0.00535%0.345CS..Hα-helixtrans-60.2-46.6171.3-176.2151.6000110.4E97 W110 R127 E128 A133 R134 F135 Y148E97-L131 HydrophobicContact CB-CD1 4.46Å; E97-L131 HydrophobicContact CG-CD1 4.22Å; W110-L131 HydrophobicContact CH2-CD2 3.89Å; W110-L131 HydrophobicContact CZ3-CD2 4.04Å; R127-L131 WeakPolarHBondContact O-CB 3.36Å; R127-L131 PolarHBondContact O-N 3.04Å; E128-L131 WeakPolarHBondContact O-CB 3.34Å; E128-L131 PolarHBondContact O-N 3.28Å; L131-A133 VanDerWaalsContact C-N 3.33Å; L131-A133 PolarHBondContact O-N 2.92Å; L131-R134 PolarHBondContact O-N 3.4Å; L131-F135 HydrophobicContact CD1-CE2 4.4Å; L131-F135 HydrophobicContact CD2-CD2 3.61Å; L131-F135 HydrophobicContact CD2-CE2 3.87Å; L131-F135 HydrophobicContact CD2-CG 4.49Å; L131-F135 HydrophobicContact CG-CD2 3.84Å; L131-F135 HydrophobicContact CG-CE2 3.88Å; L131-F135 WeakPolarHBondContact O-CD2 3.44Å; L131-F135 PolarHBondContact O-N 2.89Å; L131-Y148 HydrophobicContact CD2-CE1 4.44Å
132C97.8Very high95.2Very high0 Ų061.8 Ų61.80%031%0.306CS..Hα-helixtrans-58.1-46.1176.8-63.70000111.5E128 L129 E130 R134 F135 L136 Y148 R149E128-C132 PolarHBondContact O-N 3.01Å; E128-C132 PolarHBondContact O-SG 3Å; L129-C132 WeakPolarHBondContact O-CB 3.46Å; L129-C132 PolarHBondContact O-N 3.02Å; E130-C132 VanDerWaalsContact C-N 3.34Å; C132-R134 PolarHBondContact O-N 2.93Å; C132-F135 PolarHBondContact O-N 3.07Å; C132-L136 WeakPolarHBondContact O-CB 3.48Å; C132-L136 VanDerWaalsContact O-CG 3.29Å; C132-L136 WeakPolarHBondContact O-CG 3.49Å; C132-L136 PolarHBondContact O-N 2.81Å; C132-Y148 VanDerWaalsContact SG-CD1 3.51Å; C132-R149 HydrophobicContact CB-CB 3.99Å; C132-R149 HydrophobicContact CB-CG 4.05Å
133A96.2Very high95.4Very high24 Ų2457.5 Ų57.520%0.19828%0.284CS..Hα-helixtrans-55.8-52.3177.500000111.2L129 E130 L131 F135 L136 E137 F166L129-A133 PolarHBondContact O-N 3.32Å; E130-A133 PolarHBondContact O-N 3.21Å; L131-A133 VanDerWaalsContact C-N 3.33Å; L131-A133 PolarHBondContact O-N 2.92Å; A133-F135 PolarHBondContact O-N 2.89Å; A133-L136 PolarHBondContact O-N 3.08Å; A133-E137 WeakPolarHBondContact O-CG 3.27Å; A133-E137 PolarHBondContact O-N 3.37Å; A133-F166 HydrophobicContact CB-CE2 4.39Å
134R95.6Very high95.5Very high89 Ų8956.9 Ų56.934%0.33628%0.279SS..Hα-helixtrans-60-40.4178.9-69-174.5-62.5143.82.6113.6E97 E130 L131 C132 E137 V138E97-R134 IonicContact OE1-CZ 3.64Å; E97-R134 IonicContact OE1-NH1 3.98Å; E97-R134 PolarHBondContact OE1-NH1 3.41Å; E97-R134 IonicContact OE1-NH2 2.88Å; E97-R134 PolarHBondContact OE1-NH2 3.46Å; E97-R134 IonicContact OE2-NH2 3.79Å; E130-R134 WeakPolarHBondContact O-CG 3.33Å; E130-R134 PolarHBondContact O-N 2.93Å; L131-R134 PolarHBondContact O-N 3.4Å; C132-R134 PolarHBondContact O-N 2.93Å; R134-E137 PolarHBondContact O-N 3.11Å; R134-V138 WeakPolarHBondContact O-CG2 3.49Å; R134-V138 PolarHBondContact O-N 3.41Å
135F96.1Very high95.6Very high24 Ų2452 Ų5211%0.10525%0.253CS..Hα-helixtrans-71.4-34.4178.9-88.7-93.7000112.3E97 L100 R101 P104 W110 L131 C132 A133 V138 D139 C145E97-F135 HydrophobicContact CG-CE2 4.35Å; L100-F135 HydrophobicContact CB-CE1 3.6Å; L100-F135 HydrophobicContact CB-CE2 4.47Å; L100-F135 HydrophobicContact CB-CZ 3.43Å; L100-F135 VanDerWaalsContact CB-CZ 3.43Å; L100-F135 HydrophobicContact CD1-CZ 4.24Å; L100-F135 HydrophobicContact CG-CZ 4.49Å; R101-F135 HydrophobicContact CG-CZ 4.34Å; P104-F135 HydrophobicContact CB-CD1 4.25Å; P104-F135 HydrophobicContact CB-CE1 4.22Å; W110-F135 HydrophobicContact CZ2-CD1 4.46Å; L131-F135 HydrophobicContact CD1-CE2 4.4Å; L131-F135 HydrophobicContact CD2-CD2 3.61Å; L131-F135 HydrophobicContact CD2-CE2 3.87Å; L131-F135 HydrophobicContact CD2-CG 4.49Å; L131-F135 HydrophobicContact CG-CD2 3.84Å; L131-F135 HydrophobicContact CG-CE2 3.88Å; L131-F135 WeakPolarHBondContact O-CD2 3.44Å; L131-F135 PolarHBondContact O-N 2.89Å; C132-F135 PolarHBondContact O-N 3.07Å; A133-F135 PolarHBondContact O-N 2.89Å; F135-V138 PolarHBondContact O-N 2.99Å; F135-D139 PolarHBondContact O-N 2.96Å; F135-C145 HydrophobicContact CB-CB 4.39Å; F135-C145 VanDerWaalsContact CB-SG 3.54Å
136L95.2Very high95.6Very high1 Ų150 Ų501%0.00525%0.245CC..Hα-helixtrans-75.8-25.5174.9-67.5176.7000112.8C132 A133 V138 D139 E140 C145 W146 F166C132-L136 WeakPolarHBondContact O-CB 3.48Å; C132-L136 VanDerWaalsContact O-CG 3.29Å; C132-L136 WeakPolarHBondContact O-CG 3.49Å; C132-L136 PolarHBondContact O-N 2.81Å; A133-L136 PolarHBondContact O-N 3.08Å; L136-V138 VanDerWaalsContact C-N 3.27Å; L136-V138 PolarHBondContact O-N 3.38Å; L136-D139 CarbonylContact O-C 3.56Å; L136-E140 WeakPolarHBondContact O-CA 3.29Å; L136-E140 WeakPolarHBondContact O-CB 3.32Å; L136-E140 PolarHBondContact O-N 3.42Å; L136-C145 HydrophobicContact CD2-CB 3.86Å; L136-C145 HydrophobicContact CG-CB 4.29Å; L136-W146 HydrophobicContact CD1-CD2 3.93Å; L136-W146 HydrophobicContact CD1-CE3 4.15Å; L136-W146 HydrophobicContact CD1-CG 4.5Å; L136-W146 HydrophobicContact CD1-CH2 4.28Å; L136-W146 HydrophobicContact CD1-CZ2 4.04Å; L136-W146 HydrophobicContact CD1-CZ3 4.29Å; L136-W146 HydrophobicContact CD2-CD2 4.2Å; L136-W146 HydrophobicContact CD2-CG 4.06Å; L136-W146 VanDerWaalsContact CD2-NE1 3.34Å; L136-F166 HydrophobicContact CD1-CE1 3.95Å; L136-F166 HydrophobicContact CD1-CZ 3.96Å
137E92.1Very high95.6Very high117 Ų11750 Ų5055%0.54724%0.236SC..Hα-helixtrans-65.6-32.1169.1-74.5-168.8140.800112.6A133 R134 R173A133-E137 WeakPolarHBondContact O-CG 3.27Å; A133-E137 PolarHBondContact O-N 3.37Å; R134-E137 PolarHBondContact O-N 3.11Å; E137-R173 IonicContact OE1-CZ 3.34Å; E137-R173 IonicContact OE1-NH1 3.93Å; E137-R173 PolarHBondContact OE1-NH1 3.06Å
138V91.4Very high95.7Very high133 Ų13346.7 Ų46.781%0.80622%0.223SC*.Hα-helixtrans-83.7-43.4179.81770000111.8R134 F135 L136R134-V138 WeakPolarHBondContact O-CG2 3.49Å; R134-V138 PolarHBondContact O-N 3.41Å; F135-V138 PolarHBondContact O-N 2.99Å; L136-V138 VanDerWaalsContact C-N 3.27Å; L136-V138 PolarHBondContact O-N 3.38Å
139D91.9Very high95.7Very high43 Ų4347.3 Ų47.323%0.2323%0.225CC..  trans-138.989.8175.2-176.72.9000109K105 F135 L136 R141 N142K105-D139 WeakPolarHBondContact CE-OD2 3.38Å; K105-D139 IonicContact NZ-OD2 3.54Å; K105-D139 PolarHBondContact NZ-OD2 2.95Å; F135-D139 PolarHBondContact O-N 2.96Å; L136-D139 CarbonylContact O-C 3.56Å; D139-R141 PolarHBondContact O-N 3.35Å; D139-R141 PolarHBondContact OD1-N 3.06Å; D139-N142 HydrophobicContact CB-CB 4.08Å; D139-N142 VanDerWaalsContact O-CB 3.24Å; D139-N142 WeakPolarHBondContact O-CB 3.42Å; D139-N142 PolarHBondContact O-N 3.31Å; D139-N142 PolarHBondContact OD1-N 3.27Å
140E90.9Very high95.7Very high49 Ų4949.3 Ų49.323%0.22923%0.23CC..THydrogen-bonded Turntrans-63-15.6-177.675.4-169158.500113.3L136 W146 N174 N177L136-E140 WeakPolarHBondContact O-CA 3.29Å; L136-E140 WeakPolarHBondContact O-CB 3.32Å; L136-E140 PolarHBondContact O-N 3.42Å; E140-W146 PolarHBondContact O-NE1 3.05Å; E140-N174 PolarHBondContact OE1-ND2 3.09Å; E140-N174 PolarHBondContact OE2-ND2 2.56Å; E140-N177 PolarHBondContact OE2-ND2 3.1Å
141R90.8Very high95.7Very high165 Ų16546.5 Ų46.562%0.62322%0.217SC*.THydrogen-bonded Turntrans-100.87.7178.6-58.8-171.4-66.3-150.1-3.9112.7D139 F143D139-R141 PolarHBondContact O-N 3.35Å; D139-R141 PolarHBondContact OD1-N 3.06Å; R141-F143 PolarHBondContact O-N 3.2Å
142N94.9Very high95.7Very high1 Ų146.5 Ų46.51%0.00522%0.216CC..  trans-7092.2177.4-174.6-3000110.8P104 D139 H144 C145 W146P104-N142 PolarHBondContact O-ND2 3.22Å; D139-N142 HydrophobicContact CB-CB 4.08Å; D139-N142 VanDerWaalsContact O-CB 3.24Å; D139-N142 WeakPolarHBondContact O-CB 3.42Å; D139-N142 PolarHBondContact O-N 3.31Å; D139-N142 PolarHBondContact OD1-N 3.27Å; N142-H144 PolarHBondContact O-N 3.36Å; N142-H144 WeakPolarHBondContact OD1-CB 3.45Å; N142-H144 PolarHBondContact OD1-CD2 3.33Å; N142-H144 PolarHBondContact OD1-N 3.28Å; N142-H144 VanDerWaalsContact OD1-N 3.17Å; N142-C145 HydrophobicContact CB-CB 4.11Å; N142-C145 WeakPolarHBondContact O-CB 3.37Å; N142-C145 PolarHBondContact O-N 2.85Å; N142-W146 PolarHBondContact O-N 2.88Å; N142-W146 VanDerWaalsContact O-N 3.12Å
143F94.9Very high95.7Very high92 Ų9246.8 Ų46.840%0.40422%0.219SC..Hα-helixtrans-59.1-30.7-178.976.5-93.3000112.7Y107 R141 C145 W146 D147Y107-F143 WeakPolarHBondContact OH-CZ 3.2Å; R141-F143 PolarHBondContact O-N 3.2Å; F143-C145 VanDerWaalsContact C-N 3.3Å; F143-C145 PolarHBondContact O-N 3.2Å; F143-W146 PolarHBondContact O-N 3.17Å; F143-D147 WeakPolarHBondContact O-CB 3.43Å; F143-D147 PolarHBondContact O-N 2.95Å
144H97.4Very high95.7Very high12 Ų1250.8 Ų50.86%0.05624%0.241CC..Hα-helixtrans-63.6-38.6176.3-57.4-92.3000112K105 Y107 W110 N142 Y148K105-H144 PolarHBondContact O-NE2 3.33Å; Y107-H144 AromaticContact CD1-CE1 3.79Å; Y107-H144 AromaticContact CD1-ND1 3.95Å; Y107-H144 AromaticContact CD2-CE1 3.74Å; Y107-H144 AromaticContact CE1-CE1 3.54Å; Y107-H144 AromaticContact CE1-ND1 3.85Å; Y107-H144 AromaticContact CE2-CE1 3.49Å; Y107-H144 VanDerWaalsContact CE2-CE1 3.49Å; Y107-H144 WeakPolarHBondContact CE2-CE1 3.21Å; Y107-H144 AromaticContact CG-CE1 3.89Å; Y107-H144 AromaticContact CZ-CE1 3.39Å; W110-H144 VanDerWaalsContact CD1-CB 3.46Å; W110-H144 HydrophobicContact CG-CB 4.18Å; N142-H144 PolarHBondContact O-N 3.36Å; N142-H144 WeakPolarHBondContact OD1-CB 3.45Å; N142-H144 PolarHBondContact OD1-CD2 3.33Å; N142-H144 PolarHBondContact OD1-N 3.28Å; N142-H144 VanDerWaalsContact OD1-N 3.17Å; H144-Y148 VanDerWaalsContact O-CB 3.24Å; H144-Y148 WeakPolarHBondContact O-CB 3.49Å; H144-Y148 PolarHBondContact O-N 3.19Å
145C98.1Very high95.8Very high0 Ų051.3 Ų51.30%025%0.247CC..Hα-helixtrans-71-37.1176.7-168.60000111.2W110 F135 L136 N142 F143 Y148 R149W110-C145 HydrophobicContact CH2-CB 4.14Å; W110-C145 HydrophobicContact CZ2-CB 3.9Å; F135-C145 HydrophobicContact CB-CB 4.39Å; F135-C145 VanDerWaalsContact CB-SG 3.54Å; L136-C145 HydrophobicContact CD2-CB 3.86Å; L136-C145 HydrophobicContact CG-CB 4.29Å; N142-C145 HydrophobicContact CB-CB 4.11Å; N142-C145 WeakPolarHBondContact O-CB 3.37Å; N142-C145 PolarHBondContact O-N 2.85Å; F143-C145 VanDerWaalsContact C-N 3.3Å; F143-C145 PolarHBondContact O-N 3.2Å; C145-Y148 PolarHBondContact O-N 2.96Å; C145-R149 WeakPolarHBondContact O-CB 3.4Å; C145-R149 PolarHBondContact O-N 3.36Å
146W97.7Very high95.8Very high4 Ų451.7 Ų51.72%0.01526%0.255CS..Hα-helixtrans-63.3-44.8172.1-79.6108.5000112.4L136 E140 N142 F143 Y148 R149 R150 F166 T167 L170 S179 S180 Y183L136-W146 HydrophobicContact CD1-CD2 3.93Å; L136-W146 HydrophobicContact CD1-CE3 4.15Å; L136-W146 HydrophobicContact CD1-CG 4.5Å; L136-W146 HydrophobicContact CD1-CH2 4.28Å; L136-W146 HydrophobicContact CD1-CZ2 4.04Å; L136-W146 HydrophobicContact CD1-CZ3 4.29Å; L136-W146 HydrophobicContact CD2-CD2 4.2Å; L136-W146 HydrophobicContact CD2-CG 4.06Å; L136-W146 VanDerWaalsContact CD2-NE1 3.34Å; E140-W146 PolarHBondContact O-NE1 3.05Å; N142-W146 PolarHBondContact O-N 2.88Å; N142-W146 VanDerWaalsContact O-N 3.12Å; F143-W146 PolarHBondContact O-N 3.17Å; W146-Y148 VanDerWaalsContact C-N 3.33Å; W146-Y148 PolarHBondContact O-N 3.04Å; W146-R149 PolarHBondContact O-N 2.77Å; W146-R150 WeakPolarHBondContact O-CG 3.37Å; W146-R150 PolarHBondContact O-N 3.02Å; W146-R150 PolarHBondContact O-NH1 3.22Å; W146-F166 HydrophobicContact CH2-CD1 4.27Å; W146-F166 AromaticContact CH2-CE1 3.82Å; W146-F166 HydrophobicContact CH2-CE1 3.82Å; W146-F166 HydrophobicContact CZ3-CD1 4.17Å; W146-F166 AromaticContact CZ3-CE1 3.83Å; W146-F166 HydrophobicContact CZ3-CE1 3.83Å; W146-T167 HydrophobicContact CH2-CG2 4.49Å; W146-L170 HydrophobicContact CH2-CD1 3.47Å; W146-L170 VanDerWaalsContact CH2-CD1 3.47Å; W146-L170 HydrophobicContact CZ2-CD1 3.65Å; W146-S179 VanDerWaalsContact CD1-CB 3.44Å; W146-S180 WeakPolarHBondContact CZ2-OG 3.1Å; W146-Y183 AromaticContact CE3-CD1 3.95Å; W146-Y183 HydrophobicContact CE3-CD1 3.95Å; W146-Y183 HydrophobicContact CE3-CE1 4.45Å; W146-Y183 HydrophobicContact CH2-CD1 4.45Å; W146-Y183 AromaticContact CZ3-CD1 3.5Å; W146-Y183 HydrophobicContact CZ3-CD1 3.5Å; W146-Y183 HydrophobicContact CZ3-CE1 4.13Å; W146-Y183 HydrophobicContact CZ3-CG 4.35Å
147D98.1Very high95.9Very high73 Ų7355.6 Ų55.639%0.3929%0.287SS..Hα-helixtrans-60.3-45.2175.2-686.7000110.8F143 R150 F151F143-D147 WeakPolarHBondContact O-CB 3.43Å; F143-D147 PolarHBondContact O-N 2.95Å; D147-R150 PolarHBondContact O-N 2.7Å; D147-R150 IonicContact OD1-CZ 3.47Å; D147-R150 IonicContact OD1-NH1 2.73Å; D147-R150 IonicContact OD1-NH2 2.72Å; D147-R150 PolarHBondContact OD1-NH2 3.17Å; D147-F151 PolarHBondContact O-N 3.18Å
148Y98.5Very high96.2Very high4 Ų451.2 Ų51.22%0.01627%0.268CS..Hα-helixtrans-64.3-40.9176.9-177.5-103.5000112.2W110 R113 C114 L117 E128 L131 C132 H144 C145 W146 R150 F151 V152W110-Y148 AromaticContact CE3-CD1 3.82Å; W110-Y148 HydrophobicContact CE3-CD1 3.82Å; W110-Y148 AromaticContact CE3-CD2 3.67Å; W110-Y148 HydrophobicContact CE3-CD2 3.67Å; W110-Y148 HydrophobicContact CE3-CE1 4.39Å; W110-Y148 HydrophobicContact CE3-CE2 4.29Å; W110-Y148 AromaticContact CE3-CG 3.4Å; W110-Y148 HydrophobicContact CE3-CG 3.4Å; W110-Y148 HydrophobicContact CH2-CD1 4.12Å; W110-Y148 HydrophobicContact CH2-CG 4.38Å; W110-Y148 AromaticContact CZ3-CD1 3.23Å; W110-Y148 HydrophobicContact CZ3-CD1 3.23Å; W110-Y148 AromaticContact CZ3-CD2 3.99Å; W110-Y148 HydrophobicContact CZ3-CD2 3.99Å; W110-Y148 AromaticContact CZ3-CE1 3.77Å; W110-Y148 HydrophobicContact CZ3-CE1 3.77Å; W110-Y148 HydrophobicContact CZ3-CE2 4.47Å; W110-Y148 AromaticContact CZ3-CG 3.34Å; W110-Y148 HydrophobicContact CZ3-CG 3.34Å; R113-Y148 HydrophobicContact CB-CE2 4.3Å; R113-Y148 VanDerWaalsContact CD-OH 3.24Å; R113-Y148 WeakPolarHBondContact CD-OH 3.08Å; R113-Y148 HydrophobicContact CG-CE2 4.1Å; R113-Y148 WeakPolarHBondContact CG-OH 3.43Å; R113-Y148 PolarHBondContact NE-OH 3.23Å; R113-Y148 VanDerWaalsContact NE-OH 3.13Å; C114-Y148 VanDerWaalsContact SG-CD2 3.5Å; L117-Y148 HydrophobicContact CD1-CE2 4.36Å; L117-Y148 WeakPolarHBondContact CD1-OH 3.38Å; E128-Y148 PolarHBondContact OE2-OH 3.29Å; L131-Y148 HydrophobicContact CD2-CE1 4.44Å; C132-Y148 VanDerWaalsContact SG-CD1 3.51Å; H144-Y148 VanDerWaalsContact O-CB 3.24Å; H144-Y148 WeakPolarHBondContact O-CB 3.49Å; H144-Y148 PolarHBondContact O-N 3.19Å; C145-Y148 PolarHBondContact O-N 2.96Å; W146-Y148 VanDerWaalsContact C-N 3.33Å; W146-Y148 PolarHBondContact O-N 3.04Å; Y148-R150 VanDerWaalsContact C-N 3.34Å; Y148-R150 PolarHBondContact O-N 2.96Å; Y148-F151 HydrophobicContact CD2-CD1 4.2Å; Y148-F151 HydrophobicContact CE2-CD1 4.05Å; Y148-F151 HydrophobicContact CE2-CE1 4.34Å; Y148-F151 WeakPolarHBondContact O-CB 3.43Å; Y148-F151 PolarHBondContact O-N 3.47Å; Y148-V152 HydrophobicContact CD1-CG2 4.11Å; Y148-V152 HydrophobicContact CE1-CG2 3.66Å; Y148-V152 HydrophobicContact CE2-CG2 4.33Å; Y148-V152 WeakPolarHBondContact O-CG2 3.46Å; Y148-V152 PolarHBondContact O-N 3.25Å
149R98.3Very high96.5Very high15 Ų1547.7 Ų47.76%0.05725%0.248CC..Hα-helixtrans-59.9-44.3173.9-172.3-179.7177.291.38.4111.3L129 C132 C145 W146 F151 V152 A153 E163 F166L129-R149 HydrophobicContact CD2-CG 4.46Å; C132-R149 HydrophobicContact CB-CB 3.99Å; C132-R149 HydrophobicContact CB-CG 4.05Å; C145-R149 WeakPolarHBondContact O-CB 3.4Å; C145-R149 PolarHBondContact O-N 3.36Å; W146-R149 PolarHBondContact O-N 2.77Å; R149-F151 VanDerWaalsContact C-N 3.33Å; R149-F151 PolarHBondContact O-N 3.48Å; R149-V152 PolarHBondContact O-N 3.42Å; R149-A153 WeakPolarHBondContact O-CB 3.49Å; R149-A153 PolarHBondContact O-N 3.16Å; R149-E163 IonicContact CZ-OE1 2.87Å; R149-E163 IonicContact CZ-OE2 3.9Å; R149-E163 IonicContact NE-OE1 2.6Å; R149-E163 PolarHBondContact NE-OE1 3.23Å; R149-E163 IonicContact NE-OE2 2.66Å; R149-E163 PolarHBondContact NE-OE2 3.08Å; R149-E163 IonicContact NH2-OE1 3.39Å; R149-E163 PolarHBondContact NH2-OE1 3.48Å; R149-E163 IonicContact NH2-OE2 3.77Å; R149-F166 VanDerWaalsContact CZ-CD1 3.48Å; R149-F166 VanDerWaalsContact NE-CD1 3.29Å
150R97.9Very high96.7Very high80 Ų8047.8 Ų47.830%0.30225%0.251SS..Hα-helixtrans-61.4-40.4175.6-69.4-166.3-59.5-82.76.3112.2W146 D147 Y148 T154 Y183W146-R150 WeakPolarHBondContact O-CG 3.37Å; W146-R150 PolarHBondContact O-N 3.02Å; W146-R150 PolarHBondContact O-NH1 3.22Å; D147-R150 PolarHBondContact O-N 2.7Å; D147-R150 IonicContact OD1-CZ 3.47Å; D147-R150 IonicContact OD1-NH1 2.73Å; D147-R150 IonicContact OD1-NH2 2.72Å; D147-R150 PolarHBondContact OD1-NH2 3.17Å; Y148-R150 VanDerWaalsContact C-N 3.34Å; Y148-R150 PolarHBondContact O-N 2.96Å; R150-T154 WeakPolarHBondContact O-CB 3.32Å; R150-T154 PolarHBondContact O-N 2.95Å; R150-T154 PolarHBondContact O-OG1 3.28Å; R150-Y183 VanDerWaalsContact CD-CE2 3.45Å; R150-Y183 HydrophobicContact CG-CD2 4.4Å; R150-Y183 HydrophobicContact CG-CE1 4.39Å; R150-Y183 HydrophobicContact CG-CE2 3.67Å
151F97.9Very high97Very high50 Ų5048 Ų4822%0.21926%0.262CS..Hα-helixtrans-58.4-51.1171.4164-95.7000111.3C114 W125 D147 Y148 R149 A153 T154 Q155C114-F151 HydrophobicContact CB-CD1 4.43Å; C114-F151 HydrophobicContact CB-CE1 4.05Å; C114-F151 HydrophobicContact CB-CE2 4.31Å; C114-F151 HydrophobicContact CB-CZ 3.99Å; W125-F151 HydrophobicContact CZ3-CE1 4.43Å; D147-F151 PolarHBondContact O-N 3.18Å; Y148-F151 HydrophobicContact CD2-CD1 4.2Å; Y148-F151 HydrophobicContact CE2-CD1 4.05Å; Y148-F151 HydrophobicContact CE2-CE1 4.34Å; Y148-F151 WeakPolarHBondContact O-CB 3.43Å; Y148-F151 PolarHBondContact O-N 3.47Å; R149-F151 VanDerWaalsContact C-N 3.33Å; R149-F151 PolarHBondContact O-N 3.48Å; F151-A153 PolarHBondContact O-N 3.09Å; F151-T154 PolarHBondContact O-N 3.43Å; F151-Q155 HydrophobicContact CD2-CG 4.04Å; F151-Q155 HydrophobicContact CE1-CG 4.23Å; F151-Q155 HydrophobicContact CE2-CG 3.66Å; F151-Q155 HydrophobicContact CG-CG 4.49Å; F151-Q155 HydrophobicContact CZ-CG 3.76Å; F151-Q155 VanDerWaalsContact O-CG 3.29Å; F151-Q155 WeakPolarHBondContact O-CG 3.45Å; F151-Q155 PolarHBondContact O-N 3.49Å
152V98.3Very high97.3Very high0 Ų045.9 Ų45.90%026%0.258CS..Hα-helixtrans-60-47.3178.6171.50000111.2W125 E128 L129 Y148 R149 T154 Q155 A156W125-V152 HydrophobicContact CE3-CG1 3.94Å; W125-V152 HydrophobicContact CE3-CG2 4.48Å; W125-V152 HydrophobicContact CZ3-CG2 4.45Å; E128-V152 HydrophobicContact CB-CG1 3.96Å; E128-V152 HydrophobicContact CB-CG2 3.81Å; L129-V152 HydrophobicContact CD2-CB 4.49Å; L129-V152 HydrophobicContact CD2-CG1 3.73Å; L129-V152 HydrophobicContact CG-CG1 3.83Å; Y148-V152 HydrophobicContact CD1-CG2 4.11Å; Y148-V152 HydrophobicContact CE1-CG2 3.66Å; Y148-V152 HydrophobicContact CE2-CG2 4.33Å; Y148-V152 WeakPolarHBondContact O-CG2 3.46Å; Y148-V152 PolarHBondContact O-N 3.25Å; R149-V152 PolarHBondContact O-N 3.42Å; V152-T154 VanDerWaalsContact C-N 3.3Å; V152-T154 PolarHBondContact O-N 2.92Å; V152-Q155 PolarHBondContact O-N 3.3Å; V152-A156 VanDerWaalsContact O-CB 3.24Å; V152-A156 WeakPolarHBondContact O-CB 3.43Å; V152-A156 PolarHBondContact O-N 3.38Å
153A97.6Very high97.4Very high6 Ų646 Ų465%0.0526%0.259CS..Hα-helixtrans-58.7-41.717900000111.8R149 F151 A157 V158 E163R149-A153 WeakPolarHBondContact O-CB 3.49Å; R149-A153 PolarHBondContact O-N 3.16Å; F151-A153 PolarHBondContact O-N 3.09Å; A153-A157 PolarHBondContact O-N 3.38Å; A153-A157 VanDerWaalsContact O-N 3.09Å; A153-V158 HydrophobicContact CB-CB 4.07Å; A153-V158 HydrophobicContact CB-CG2 4.35Å; A153-V158 PolarHBondContact O-N 3.01Å; A153-E163 HydrophobicContact CB-CG 4.01Å
154T96.9Very high97.5Very high109 Ų10942.7 Ų42.767%0.66925%0.246SC*.Hα-helixtrans-66.7-46176.4-59.90000111.7R150 F151 V152 A156 A157R150-T154 WeakPolarHBondContact O-CB 3.32Å; R150-T154 PolarHBondContact O-N 2.95Å; R150-T154 PolarHBondContact O-OG1 3.28Å; F151-T154 PolarHBondContact O-N 3.43Å; V152-T154 VanDerWaalsContact C-N 3.3Å; V152-T154 PolarHBondContact O-N 2.92Å; T154-A156 VanDerWaalsContact C-N 3.35Å; T154-A156 PolarHBondContact O-N 2.94Å; T154-A157 PolarHBondContact O-N 2.98Å
155Q97.1Very high97.5Very high100 Ų10044.7 Ų44.747%0.46726%0.264SS..Hα-helixtrans-68.1-34.6-178.8-66.9-64.7-40.500112.8W125 F151 V152 A157W125-Q155 HydrophobicContact CH2-CB 3.41Å; W125-Q155 VanDerWaalsContact CH2-CB 3.41Å; W125-Q155 HydrophobicContact CH2-CG 3.94Å; W125-Q155 HydrophobicContact CZ2-CB 3.42Å; W125-Q155 VanDerWaalsContact CZ2-CB 3.42Å; W125-Q155 HydrophobicContact CZ2-CG 4.32Å; W125-Q155 HydrophobicContact CZ3-CB 4.04Å; F151-Q155 HydrophobicContact CD2-CG 4.04Å; F151-Q155 HydrophobicContact CE1-CG 4.23Å; F151-Q155 HydrophobicContact CE2-CG 3.66Å; F151-Q155 HydrophobicContact CG-CG 4.49Å; F151-Q155 HydrophobicContact CZ-CG 3.76Å; F151-Q155 VanDerWaalsContact O-CG 3.29Å; F151-Q155 WeakPolarHBondContact O-CG 3.45Å; F151-Q155 PolarHBondContact O-N 3.49Å; V152-Q155 PolarHBondContact O-N 3.3Å; Q155-A157 VanDerWaalsContact C-N 3.29Å
156A96.8Very high97.4Very high32 Ų3246 Ų4626%0.26427%0.27SS..THydrogen-bonded Turntrans-860.1177.600000113.3W125 V152 T154 V158W125-A156 HydrophobicContact CB-CB 3.63Å; W125-A156 HydrophobicContact CD2-CB 4.03Å; W125-A156 HydrophobicContact CG-CB 3.49Å; W125-A156 VanDerWaalsContact CG-CB 3.49Å; V152-A156 VanDerWaalsContact O-CB 3.24Å; V152-A156 WeakPolarHBondContact O-CB 3.43Å; V152-A156 PolarHBondContact O-N 3.38Å; T154-A156 VanDerWaalsContact C-N 3.35Å; T154-A156 PolarHBondContact O-N 2.94Å; A156-V158 HydrophobicContact CB-CG2 3.95Å; A156-V158 PolarHBondContact O-N 3.18Å
157A96.9Very high97.3Very high82 Ų8245.9 Ų45.968%0.67827%0.269SS*.THydrogen-bonded Turntrans5139.9-174.200000113.3A153 T154 Q155 P159A153-A157 PolarHBondContact O-N 3.38Å; A153-A157 VanDerWaalsContact O-N 3.09Å; T154-A157 PolarHBondContact O-N 2.98Å; Q155-A157 VanDerWaalsContact C-N 3.29Å; A157-P159 WeakPolarHBondContact O-CD 3.29Å
158V97.6Very high97.1Very high25 Ų2545.1 Ų45.115%0.15227%0.265CS..  trans-63.8125.8176.2179.60000108.6L129 A153 A156 E162 E163L129-V158 HydrophobicContact CD1-CG2 4.14Å; A153-V158 HydrophobicContact CB-CB 4.07Å; A153-V158 HydrophobicContact CB-CG2 4.35Å; A153-V158 PolarHBondContact O-N 3.01Å; A156-V158 HydrophobicContact CB-CG2 3.95Å; A156-V158 PolarHBondContact O-N 3.18Å; V158-E162 HydrophobicContact CG1-CB 3.82Å; V158-E163 HydrophobicContact CG1-CG 4.02Å
159P97Very high96.8Very high60 Ų6048.1 Ų48.139%0.3929%0.287SS..  trans-58.4140.2177.8-25.334.5000111.9A157 A161 E162 E163A157-P159 WeakPolarHBondContact O-CD 3.29Å; P159-A161 PolarHBondContact O-N 2.98Å; P159-E162 HydrophobicContact CB-CG 4.43Å; P159-E162 WeakPolarHBondContact CD-OE1 3.45Å; P159-E162 HydrophobicContact CG-CG 4.45Å; P159-E162 WeakPolarHBondContact CG-OE1 3.48Å; P159-E162 PolarHBondContact O-N 2.7Å; P159-E163 PolarHBondContact O-N 3.03Å
160P96.7Very high96.4Very high45 Ų4548.3 Ų48.329%0.29229%0.289SS..Hα-helixtrans-56-26.4177.1-27.134.8000114E163 L164 L187 L191P160-E163 PolarHBondContact O-N 2.69Å; P160-L164 WeakPolarHBondContact O-CB 3.45Å; P160-L164 PolarHBondContact O-N 2.63Å; P160-L187 HydrophobicContact CB-CD2 4.05Å; P160-L191 HydrophobicContact CB-CD1 4.39Å; P160-L191 HydrophobicContact CB-CD2 3.87Å; P160-L191 HydrophobicContact CB-CG 3.91Å
161A96.9Very high96Very high54 Ų5444.6 Ų44.645%0.44628%0.275SS..Hα-helixtrans-67.3-35.3176.300000112.7P159 L164 A165 L191P159-A161 PolarHBondContact O-N 2.98Å; A161-L164 PolarHBondContact O-N 3.11Å; A161-A165 PolarHBondContact O-N 3.15Å; A161-L191 HydrophobicContact CB-CD2 4.03Å
162E97.3Very high95.5Very high119 Ų11947.1 Ų47.156%0.55629%0.294SS*.Hα-helixtrans-71.5-38.6175.8-68.9-178.2-144.500111.1V158 P159 L164 A165 F166V158-E162 HydrophobicContact CG1-CB 3.82Å; P159-E162 HydrophobicContact CB-CG 4.43Å; P159-E162 WeakPolarHBondContact CD-OE1 3.45Å; P159-E162 HydrophobicContact CG-CG 4.45Å; P159-E162 WeakPolarHBondContact CG-OE1 3.48Å; P159-E162 PolarHBondContact O-N 2.7Å; E162-L164 VanDerWaalsContact C-N 3.34Å; E162-A165 PolarHBondContact O-N 3.22Å; E162-F166 PolarHBondContact O-N 3.13Å
163E97.9Very high94.9Very high4 Ų455.4 Ų55.42%0.01933%0.326CS..Hα-helixtrans-68.2-33.9173.3-72.5-61.411000112R149 A153 V158 P159 P160 F166 T167 Y183 L187R149-E163 IonicContact CZ-OE1 2.87Å; R149-E163 IonicContact CZ-OE2 3.9Å; R149-E163 IonicContact NE-OE1 2.6Å; R149-E163 PolarHBondContact NE-OE1 3.23Å; R149-E163 IonicContact NE-OE2 2.66Å; R149-E163 PolarHBondContact NE-OE2 3.08Å; R149-E163 IonicContact NH2-OE1 3.39Å; R149-E163 PolarHBondContact NH2-OE1 3.48Å; R149-E163 IonicContact NH2-OE2 3.77Å; A153-E163 HydrophobicContact CB-CG 4.01Å; V158-E163 HydrophobicContact CG1-CG 4.02Å; P159-E163 PolarHBondContact O-N 3.03Å; P160-E163 PolarHBondContact O-N 2.69Å; E163-F166 WeakPolarHBondContact O-CB 3.45Å; E163-F166 PolarHBondContact O-N 3.47Å; E163-T167 WeakPolarHBondContact O-CG2 3.39Å; E163-T167 PolarHBondContact O-N 3.19Å; E163-T167 VanDerWaalsContact O-N 3.08Å; E163-Y183 HydrophobicContact CB-CE1 4.08Å; E163-Y183 HydrophobicContact CG-CE1 4.44Å; E163-Y183 WeakPolarHBondContact OE2-CE1 3.48Å; E163-Y183 PolarHBondContact OE2-OH 3.47Å; E163-L187 HydrophobicContact CB-CD1 3.95Å; E163-L187 HydrophobicContact CB-CD2 4.02Å
164L97Very high94.1Very high23 Ų2357.9 Ų57.912%0.1234%0.338CS..Hα-helixtrans-63.7-46.4172.5-172.468000110.6P160 A161 E162 F166 T167 D168 R184 L187 L188 L191P160-L164 WeakPolarHBondContact O-CB 3.45Å; P160-L164 PolarHBondContact O-N 2.63Å; A161-L164 PolarHBondContact O-N 3.11Å; E162-L164 VanDerWaalsContact C-N 3.34Å; L164-F166 VanDerWaalsContact C-N 3.25Å; L164-F166 PolarHBondContact O-N 3.27Å; L164-T167 WeakPolarHBondContact O-CA 3.41Å; L164-T167 WeakPolarHBondContact O-CB 3.3Å; L164-T167 PolarHBondContact O-N 3.02Å; L164-T167 PolarHBondContact O-OG1 2.93Å; L164-D168 PolarHBondContact O-N 2.96Å; L164-R184 HydrophobicContact CD1-CB 4.39Å; L164-R184 HydrophobicContact CD1-CG 4Å; L164-L187 HydrophobicContact CB-CD1 4.38Å; L164-L187 HydrophobicContact CD1-CB 4.41Å; L164-L187 HydrophobicContact CD1-CD1 4.48Å; L164-L188 HydrophobicContact CD1-CD2 4.11Å; L164-L188 HydrophobicContact CD1-CG 4.2Å; L164-L188 HydrophobicContact CD2-CD2 3.84Å; L164-L191 HydrophobicContact CB-CD1 4.17Å; L164-L191 HydrophobicContact CD2-CD1 3.69Å; L164-L191 HydrophobicContact CG-CD1 4.5Å
165A96.8Very high93.3Very high53 Ų5355.2 Ų55.244%0.43832%0.318SS..Hα-helixtrans-60-34.7174.900000112.5A161 E162 D168 S169A161-A165 PolarHBondContact O-N 3.15Å; E162-A165 PolarHBondContact O-N 3.22Å; A165-D168 WeakPolarHBondContact O-CB 3.45Å; A165-D168 PolarHBondContact O-N 2.7Å; A165-S169 PolarHBondContact O-N 3.08Å; A165-S169 VanDerWaalsContact O-N 3.07Å
166F96Very high92.5Very high29 Ų2952.2 Ų52.213%0.12731%0.307CS..Hα-helixtrans-61.6-44.4171.2177.8-104.4000111.5A133 L136 W146 R149 E162 E163 L164 D168 S169 L170A133-F166 HydrophobicContact CB-CE2 4.39Å; L136-F166 HydrophobicContact CD1-CE1 3.95Å; L136-F166 HydrophobicContact CD1-CZ 3.96Å; W146-F166 HydrophobicContact CH2-CD1 4.27Å; W146-F166 AromaticContact CH2-CE1 3.82Å; W146-F166 HydrophobicContact CH2-CE1 3.82Å; W146-F166 HydrophobicContact CZ3-CD1 4.17Å; W146-F166 AromaticContact CZ3-CE1 3.83Å; W146-F166 HydrophobicContact CZ3-CE1 3.83Å; R149-F166 VanDerWaalsContact CZ-CD1 3.48Å; R149-F166 VanDerWaalsContact NE-CD1 3.29Å; E162-F166 PolarHBondContact O-N 3.13Å; E163-F166 WeakPolarHBondContact O-CB 3.45Å; E163-F166 PolarHBondContact O-N 3.47Å; L164-F166 VanDerWaalsContact C-N 3.25Å; L164-F166 PolarHBondContact O-N 3.27Å; F166-D168 VanDerWaalsContact C-N 3.34Å; F166-D168 PolarHBondContact O-N 2.89Å; F166-S169 PolarHBondContact O-N 2.92Å; F166-S169 PolarHBondContact O-OG 2.83Å; F166-L170 HydrophobicContact CD1-CD1 4.05Å; F166-L170 HydrophobicContact CE1-CD1 3.43Å; F166-L170 VanDerWaalsContact CE1-CD1 3.43Å; F166-L170 HydrophobicContact CE1-CG 4.3Å; F166-L170 HydrophobicContact CE2-CD1 4.43Å; F166-L170 HydrophobicContact CZ-CD1 3.65Å; F166-L170 HydrophobicContact CZ-CD2 4.48Å; F166-L170 HydrophobicContact CZ-CG 4.2Å; F166-L170 PolarHBondContact O-N 3.28Å
167T95.9Very high91.9Very high0 Ų050.7 Ų50.70%030%0.295CS..Hα-helixtrans-63.3-37.7174.4700000112.8W146 E163 L164 S169 L170 I171 Y183 R184 L187W146-T167 HydrophobicContact CH2-CG2 4.49Å; E163-T167 WeakPolarHBondContact O-CG2 3.39Å; E163-T167 PolarHBondContact O-N 3.19Å; E163-T167 VanDerWaalsContact O-N 3.08Å; L164-T167 WeakPolarHBondContact O-CA 3.41Å; L164-T167 WeakPolarHBondContact O-CB 3.3Å; L164-T167 PolarHBondContact O-N 3.02Å; L164-T167 PolarHBondContact O-OG1 2.93Å; T167-S169 VanDerWaalsContact C-N 3.31Å; T167-S169 PolarHBondContact O-N 3.42Å; T167-L170 PolarHBondContact O-N 3.07Å; T167-I171 WeakPolarHBondContact O-CB 3.44Å; T167-I171 WeakPolarHBondContact O-CG1 3.29Å; T167-I171 PolarHBondContact O-N 2.61Å; T167-Y183 HydrophobicContact CG2-CD1 3.83Å; T167-Y183 HydrophobicContact CG2-CG 4.4Å; T167-R184 HydrophobicContact CG2-CG 4.29Å; T167-R184 VanDerWaalsContact OG1-CG 3.31Å; T167-R184 WeakPolarHBondContact OG1-CG 3.46Å; T167-R184 PolarHBondContact OG1-NH1 3.06Å; T167-L187 HydrophobicContact CG2-CD1 4.3Å
168D93.7Very high91.6Very high57 Ų5752.3 Ų52.331%0.30528%0.284SS..Hα-helixtrans-58.7-44.8175.8-67.4-39.2000111L164 A165 F166 L170 I171 T172 R184L164-D168 PolarHBondContact O-N 2.96Å; A165-D168 WeakPolarHBondContact O-CB 3.45Å; A165-D168 PolarHBondContact O-N 2.7Å; F166-D168 VanDerWaalsContact C-N 3.34Å; F166-D168 PolarHBondContact O-N 2.89Å; D168-L170 VanDerWaalsContact C-N 3.3Å; D168-L170 PolarHBondContact O-N 3.48Å; D168-I171 PolarHBondContact O-N 3.38Å; D168-T172 WeakPolarHBondContact O-CB 3.45Å; D168-T172 PolarHBondContact O-N 2.83Å; D168-T172 PolarHBondContact O-OG1 2.66Å; D168-R184 IonicContact OD1-CZ 2.65Å; D168-R184 IonicContact OD1-NH1 3.34Å; D168-R184 PolarHBondContact OD1-NH1 3.21Å; D168-R184 IonicContact OD1-NH2 2.74Å; D168-R184 PolarHBondContact OD1-NH2 2.61Å
169S92.1Very high91.5Very high67 Ų6752.1 Ų52.147%0.46928%0.284SS..Hα-helixtrans-62.8-36.4179.4770000112.7A165 F166 T167 R173A165-S169 PolarHBondContact O-N 3.08Å; A165-S169 VanDerWaalsContact O-N 3.07Å; F166-S169 PolarHBondContact O-N 2.92Å; F166-S169 PolarHBondContact O-OG 2.83Å; T167-S169 VanDerWaalsContact C-N 3.31Å; T167-S169 PolarHBondContact O-N 3.42Å; S169-R173 PolarHBondContact O-N 3.19Å
170L90.8Very high91.3Very high20 Ų2049.3 Ų49.311%0.10527%0.265CS..Hα-helixtrans-73-44.4178.5-71.8176.5000111.8W146 F166 T167 D168 R173 N174W146-L170 HydrophobicContact CH2-CD1 3.47Å; W146-L170 VanDerWaalsContact CH2-CD1 3.47Å; W146-L170 HydrophobicContact CZ2-CD1 3.65Å; F166-L170 HydrophobicContact CD1-CD1 4.05Å; F166-L170 HydrophobicContact CE1-CD1 3.43Å; F166-L170 VanDerWaalsContact CE1-CD1 3.43Å; F166-L170 HydrophobicContact CE1-CG 4.3Å; F166-L170 HydrophobicContact CE2-CD1 4.43Å; F166-L170 HydrophobicContact CZ-CD1 3.65Å; F166-L170 HydrophobicContact CZ-CD2 4.48Å; F166-L170 HydrophobicContact CZ-CG 4.2Å; F166-L170 PolarHBondContact O-N 3.28Å; T167-L170 PolarHBondContact O-N 3.07Å; D168-L170 VanDerWaalsContact C-N 3.3Å; D168-L170 PolarHBondContact O-N 3.48Å; L170-R173 PolarHBondContact O-N 3.1Å; L170-N174 PolarHBondContact O-N 3.25Å
171I89.6Confident91.3Very high1 Ų147.3 Ų47.31%0.00525%0.252CS..Hα-helixtrans-67-41.4-179.3-70.6167.8000110.6T167 D168 R173 N174 F175 W181 R184T167-I171 WeakPolarHBondContact O-CB 3.44Å; T167-I171 WeakPolarHBondContact O-CG1 3.29Å; T167-I171 PolarHBondContact O-N 2.61Å; D168-I171 PolarHBondContact O-N 3.38Å; I171-R173 PolarHBondContact O-N 3.12Å; I171-N174 CarbonylContact O-C 3.54Å; I171-N174 PolarHBondContact O-N 2.93Å; I171-F175 HydrophobicContact CG2-CD1 3.22Å; I171-F175 HydrophobicContact CG2-CE1 3.52Å; I171-F175 HydrophobicContact CG2-CG 4.15Å; I171-F175 WeakPolarHBondContact O-CA 3.43Å; I171-F175 WeakPolarHBondContact O-CD1 3.32Å; I171-F175 WeakPolarHBondContact O-CD2 3.48Å; I171-F175 VanDerWaalsContact O-CG 3.32Å; I171-F175 WeakPolarHBondContact O-CG 3.45Å; I171-F175 PolarHBondContact O-N 2.67Å; I171-F175 VanDerWaalsContact O-N 3.07Å; I171-W181 HydrophobicContact CD1-CD2 3.82Å; I171-W181 HydrophobicContact CD1-CE3 3.8Å; I171-W181 HydrophobicContact CD1-CG 4.49Å; I171-W181 HydrophobicContact CD1-CH2 4.06Å; I171-W181 HydrophobicContact CD1-CZ2 4.06Å; I171-W181 HydrophobicContact CD1-CZ3 3.92Å; I171-W181 HydrophobicContact CG1-CZ2 4.31Å; I171-W181 HydrophobicContact CG2-CH2 3.76Å; I171-W181 HydrophobicContact CG2-CZ2 3.5Å; I171-W181 VanDerWaalsContact CG2-CZ2 3.5Å; I171-R184 HydrophobicContact CD1-CG 4.45Å
172T86.8Confident91.2Very high103 Ų10349 Ų4963%0.63225%0.25SS*.Hα-helixtrans-60.7-34176-55.60000112D168D168-T172 WeakPolarHBondContact O-CB 3.45Å; D168-T172 PolarHBondContact O-N 2.83Å; D168-T172 PolarHBondContact O-OG1 2.66Å
173R84.7Confident91.2Very high175 Ų17544 Ų4466%0.6623%0.227SC*.Hα-helixtrans-79.1-38.9176.7-175.3178.2177.2178.3-1.2112.2E137 S169 L170 I171E137-R173 IonicContact OE1-CZ 3.34Å; E137-R173 IonicContact OE1-NH1 3.93Å; E137-R173 PolarHBondContact OE1-NH1 3.06Å; S169-R173 PolarHBondContact O-N 3.19Å; L170-R173 PolarHBondContact O-N 3.1Å; I171-R173 PolarHBondContact O-N 3.12Å
174N82.2Confident91.1Very high58 Ų5844.1 Ų44.131%0.3123%0.227SC..  trans-152.5105.8178.2-178.816.1000110.6E140 L170 I171 S176E140-N174 PolarHBondContact OE1-ND2 3.09Å; E140-N174 PolarHBondContact OE2-ND2 2.56Å; L170-N174 PolarHBondContact O-N 3.25Å; I171-N174 CarbonylContact O-C 3.54Å; I171-N174 PolarHBondContact O-N 2.93Å; N174-S176 PolarHBondContact O-N 2.99Å; N174-S176 WeakPolarHBondContact OD1-CB 3.07Å; N174-S176 PolarHBondContact OD1-N 2.92Å; N174-S176 VanDerWaalsContact OD1-N 3.13Å
175F78.7Confident90.9Very high53 Ų5344 Ų4423%0.23223%0.229CC..SBendtrans-67.6-20.5-179.6-69.2-83.4000113.2I171 N177 W181 A218 S227I171-F175 HydrophobicContact CG2-CD1 3.22Å; I171-F175 HydrophobicContact CG2-CE1 3.52Å; I171-F175 HydrophobicContact CG2-CG 4.15Å; I171-F175 WeakPolarHBondContact O-CA 3.43Å; I171-F175 WeakPolarHBondContact O-CD1 3.32Å; I171-F175 WeakPolarHBondContact O-CD2 3.48Å; I171-F175 VanDerWaalsContact O-CG 3.32Å; I171-F175 WeakPolarHBondContact O-CG 3.45Å; I171-F175 PolarHBondContact O-N 2.67Å; I171-F175 VanDerWaalsContact O-N 3.07Å; F175-N177 PolarHBondContact O-N 3.09Å; F175-W181 HydrophobicContact CD1-CZ2 4.3Å; F175-W181 PolarHBondContact O-NE1 3.12Å; F175-A218 HydrophobicContact CB-CB 3.93Å; F175-A218 HydrophobicContact CD1-CB 3.48Å; F175-A218 VanDerWaalsContact CD1-CB 3.48Å; F175-A218 HydrophobicContact CE1-CB 4.28Å; F175-A218 HydrophobicContact CG-CB 3.94Å; F175-S227 PolarHBondContact O-OG 2.95Å
176S81.9Confident90.8Very high36 Ų3643.9 Ų43.925%0.25222%0.224SC..  trans-77.752.5178.1171.70000112.7N174 D225N174-S176 PolarHBondContact O-N 2.99Å; N174-S176 WeakPolarHBondContact OD1-CB 3.07Å; N174-S176 PolarHBondContact OD1-N 2.92Å; N174-S176 VanDerWaalsContact OD1-N 3.13Å; S176-D225 PolarHBondContact OG-OD1 3.31Å
177N84.5Confident90.7Very high0 Ų042.7 Ų42.70%022%0.219CC..  trans-126.885.7-176.2-167.2-31000112.4E140 F175 S179 S180 W181 S227E140-N177 PolarHBondContact OE2-ND2 3.1Å; F175-N177 PolarHBondContact O-N 3.09Å; N177-S179 PolarHBondContact O-N 2.92Å; N177-S179 PolarHBondContact OD1-N 3.46Å; N177-S180 PolarHBondContact ND2-OG 3.24Å; N177-S180 PolarHBondContact O-N 3.18Å; N177-S180 PolarHBondContact OD1-N 2.89Å; N177-S180 PolarHBondContact OD1-OG 2.96Å; N177-W181 PolarHBondContact O-N 2.82Å; N177-S227 PolarHBondContact N-OG 3.31Å
178Y90.4Very high90.7Very high117 Ų11742.8 Ų42.846%0.45922%0.219SC..Hα-helixtrans-54.9-36.7177.4-171-90.6000113.4W181 H182 F230Y178-W181 PolarHBondContact O-N 3.47Å; Y178-H182 HydrophobicContact CD1-CB 4.49Å; Y178-H182 HydrophobicContact CE1-CB 4.33Å; Y178-H182 VanDerWaalsContact O-CB 3.24Å; Y178-H182 WeakPolarHBondContact O-CB 3.44Å; Y178-H182 PolarHBondContact O-N 3.4Å; Y178-F230 HydrophobicContact CE2-CB 4.14Å; Y178-F230 HydrophobicContact CE2-CG 4.45Å
179S93.8Very high90.5Very high21 Ų2142.5 Ų42.515%0.14722%0.22CC..Hα-helixtrans-68.6-38.1-178.2-62.50000112.2W146 N177 Y183W146-S179 VanDerWaalsContact CD1-CB 3.44Å; N177-S179 PolarHBondContact O-N 2.92Å; N177-S179 PolarHBondContact OD1-N 3.46Å; S179-Y183 WeakPolarHBondContact O-CB 3.35Å; S179-Y183 PolarHBondContact O-N 3.45Å
180S94.7Very high90.5Very high0 Ų045 Ų450%023%0.225CC..Hα-helixtrans-64.2-50.8173.1-650000111.4W146 N177 H182 Y183 R184W146-S180 WeakPolarHBondContact CZ2-OG 3.1Å; N177-S180 PolarHBondContact ND2-OG 3.24Å; N177-S180 PolarHBondContact O-N 3.18Å; N177-S180 PolarHBondContact OD1-N 2.89Å; N177-S180 PolarHBondContact OD1-OG 2.96Å; S180-H182 VanDerWaalsContact C-N 3.32Å; S180-H182 PolarHBondContact O-N 2.97Å; S180-Y183 PolarHBondContact O-N 3.02Å; S180-R184 WeakPolarHBondContact O-CG 3.27Å; S180-R184 PolarHBondContact O-N 2.72Å
181W95.3Very high90.5Very high3 Ų346.7 Ų46.71%0.01123%0.233CC..Hα-helixtrans-58.7-42.5177-66.8118.4000112.7I171 F175 N177 Y178 Y183 R184 S185 L214 V215 A218 S227 Y231I171-W181 HydrophobicContact CD1-CD2 3.82Å; I171-W181 HydrophobicContact CD1-CE3 3.8Å; I171-W181 HydrophobicContact CD1-CG 4.49Å; I171-W181 HydrophobicContact CD1-CH2 4.06Å; I171-W181 HydrophobicContact CD1-CZ2 4.06Å; I171-W181 HydrophobicContact CD1-CZ3 3.92Å; I171-W181 HydrophobicContact CG1-CZ2 4.31Å; I171-W181 HydrophobicContact CG2-CH2 3.76Å; I171-W181 HydrophobicContact CG2-CZ2 3.5Å; I171-W181 VanDerWaalsContact CG2-CZ2 3.5Å; F175-W181 HydrophobicContact CD1-CZ2 4.3Å; F175-W181 PolarHBondContact O-NE1 3.12Å; N177-W181 PolarHBondContact O-N 2.82Å; Y178-W181 PolarHBondContact O-N 3.47Å; W181-Y183 VanDerWaalsContact C-N 3.33Å; W181-Y183 PolarHBondContact O-N 3.2Å; W181-R184 WeakPolarHBondContact O-CB 3.4Å; W181-R184 PolarHBondContact O-N 3.36Å; W181-S185 PolarHBondContact O-N 2.91Å; W181-S185 VanDerWaalsContact O-N 3.1Å; W181-L214 HydrophobicContact CH2-CD2 4.2Å; W181-L214 HydrophobicContact CH2-CG 3.99Å; W181-L214 HydrophobicContact CZ3-CD2 4.07Å; W181-L214 HydrophobicContact CZ3-CG 4.29Å; W181-V215 HydrophobicContact CH2-CB 4.38Å; W181-V215 HydrophobicContact CH2-CG2 4.43Å; W181-V215 HydrophobicContact CZ3-CB 4.47Å; W181-A218 HydrophobicContact CH2-CB 4.32Å; W181-A218 HydrophobicContact CZ2-CB 3.79Å; W181-S227 VanDerWaalsContact CD1-OG 3.25Å; W181-S227 PolarHBondContact NE1-OG 3.29Å; W181-Y231 HydrophobicContact CB-CD2 3.97Å; W181-Y231 HydrophobicContact CB-CG 4.03Å; W181-Y231 HydrophobicContact CD2-CD1 4.12Å; W181-Y231 HydrophobicContact CD2-CG 4.11Å; W181-Y231 AromaticContact CE3-CD1 3.28Å; W181-Y231 HydrophobicContact CE3-CD1 3.28Å; W181-Y231 HydrophobicContact CE3-CD2 4.2Å; W181-Y231 AromaticContact CE3-CE1 3.57Å; W181-Y231 HydrophobicContact CE3-CE1 3.57Å; W181-Y231 HydrophobicContact CE3-CE2 4.44Å; W181-Y231 AromaticContact CE3-CG 3.63Å; W181-Y231 HydrophobicContact CE3-CG 3.63Å; W181-Y231 HydrophobicContact CG-CG 4.3Å; W181-Y231 AromaticContact CZ3-CD1 3.63Å; W181-Y231 HydrophobicContact CZ3-CD1 3.63Å; W181-Y231 AromaticContact CZ3-CE1 3.72Å; W181-Y231 HydrophobicContact CZ3-CE1 3.72Å; W181-Y231 HydrophobicContact CZ3-CG 4.42Å; W181-Y231 WeakPolarHBondContact O-CD2 3.36Å; W181-Y231 WeakPolarHBondContact O-CE2 3.47Å
182H95.3Very high90.6Very high89 Ų8949.8 Ų49.841%0.41225%0.248SC..Hα-helixtrans-60.2-44.5173.8175.161.5000111.2Y178 S180 R184 S185 C186Y178-H182 HydrophobicContact CD1-CB 4.49Å; Y178-H182 HydrophobicContact CE1-CB 4.33Å; Y178-H182 VanDerWaalsContact O-CB 3.24Å; Y178-H182 WeakPolarHBondContact O-CB 3.44Å; Y178-H182 PolarHBondContact O-N 3.4Å; S180-H182 VanDerWaalsContact C-N 3.32Å; S180-H182 PolarHBondContact O-N 2.97Å; H182-R184 VanDerWaalsContact C-N 3.35Å; H182-R184 PolarHBondContact O-N 3.3Å; H182-S185 WeakPolarHBondContact O-CB 3.47Å; H182-S185 PolarHBondContact O-N 3.47Å; H182-S185 VanDerWaalsContact O-N 3.1Å; H182-S185 PolarHBondContact O-OG 2.93Å; H182-C186 PolarHBondContact O-N 3.43Å
183Y96.5Very high90.4Very high16 Ų1649.6 Ų49.66%0.06325%0.248CC..Hα-helixtrans-66.3-37.7-179.4-165.8-155.9000112.3W146 R150 E163 T167 S179 S180 W181 S185 C186 L187W146-Y183 AromaticContact CE3-CD1 3.95Å; W146-Y183 HydrophobicContact CE3-CD1 3.95Å; W146-Y183 HydrophobicContact CE3-CE1 4.45Å; W146-Y183 HydrophobicContact CH2-CD1 4.45Å; W146-Y183 AromaticContact CZ3-CD1 3.5Å; W146-Y183 HydrophobicContact CZ3-CD1 3.5Å; W146-Y183 HydrophobicContact CZ3-CE1 4.13Å; W146-Y183 HydrophobicContact CZ3-CG 4.35Å; R150-Y183 VanDerWaalsContact CD-CE2 3.45Å; R150-Y183 HydrophobicContact CG-CD2 4.4Å; R150-Y183 HydrophobicContact CG-CE1 4.39Å; R150-Y183 HydrophobicContact CG-CE2 3.67Å; E163-Y183 HydrophobicContact CB-CE1 4.08Å; E163-Y183 HydrophobicContact CG-CE1 4.44Å; E163-Y183 WeakPolarHBondContact OE2-CE1 3.48Å; E163-Y183 PolarHBondContact OE2-OH 3.47Å; T167-Y183 HydrophobicContact CG2-CD1 3.83Å; T167-Y183 HydrophobicContact CG2-CG 4.4Å; S179-Y183 WeakPolarHBondContact O-CB 3.35Å; S179-Y183 PolarHBondContact O-N 3.45Å; S180-Y183 PolarHBondContact O-N 3.02Å; W181-Y183 VanDerWaalsContact C-N 3.33Å; W181-Y183 PolarHBondContact O-N 3.2Å; Y183-S185 VanDerWaalsContact C-N 3.28Å; Y183-S185 PolarHBondContact O-N 3.12Å; Y183-C186 HydrophobicContact CD2-CB 4.5Å; Y183-C186 WeakPolarHBondContact O-CB 3.43Å; Y183-C186 PolarHBondContact O-N 3.23Å; Y183-L187 HydrophobicContact CD1-CD1 3.86Å; Y183-L187 HydrophobicContact CD2-CD1 4.02Å; Y183-L187 HydrophobicContact CD2-CD2 4.47Å; Y183-L187 HydrophobicContact CD2-CG 3.92Å; Y183-L187 HydrophobicContact CE1-CD1 3.91Å; Y183-L187 HydrophobicContact CE2-CD1 4.01Å; Y183-L187 HydrophobicContact CE2-CD2 3.83Å; Y183-L187 HydrophobicContact CE2-CG 3.78Å; Y183-L187 HydrophobicContact CG-CD1 3.94Å; Y183-L187 HydrophobicContact CG-CG 4.34Å; Y183-L187 WeakPolarHBondContact O-CG 3.38Å; Y183-L187 PolarHBondContact O-N 3.13Å
184R96.3Very high89.6Confident5 Ų544 Ų442%0.01923%0.23CC..Hα-helixtrans-54.6-43.7169.3-64.8-17880.280.2-12112.2L164 T167 D168 I171 S180 W181 H182 C186 L187 L188 E211 Y231L164-R184 HydrophobicContact CD1-CB 4.39Å; L164-R184 HydrophobicContact CD1-CG 4Å; T167-R184 HydrophobicContact CG2-CG 4.29Å; T167-R184 VanDerWaalsContact OG1-CG 3.31Å; T167-R184 WeakPolarHBondContact OG1-CG 3.46Å; T167-R184 PolarHBondContact OG1-NH1 3.06Å; D168-R184 IonicContact OD1-CZ 2.65Å; D168-R184 IonicContact OD1-NH1 3.34Å; D168-R184 PolarHBondContact OD1-NH1 3.21Å; D168-R184 IonicContact OD1-NH2 2.74Å; D168-R184 PolarHBondContact OD1-NH2 2.61Å; I171-R184 HydrophobicContact CD1-CG 4.45Å; S180-R184 WeakPolarHBondContact O-CG 3.27Å; S180-R184 PolarHBondContact O-N 2.72Å; W181-R184 WeakPolarHBondContact O-CB 3.4Å; W181-R184 PolarHBondContact O-N 3.36Å; H182-R184 VanDerWaalsContact C-N 3.35Å; H182-R184 PolarHBondContact O-N 3.3Å; R184-C186 PolarHBondContact O-N 3.48Å; R184-C186 VanDerWaalsContact O-N 3.11Å; R184-L187 PolarHBondContact O-N 2.8Å; R184-L187 VanDerWaalsContact O-N 3.1Å; R184-L188 HydrophobicContact CB-CD1 4.19Å; R184-L188 WeakPolarHBondContact O-CB 3.39Å; R184-L188 WeakPolarHBondContact O-CG 3.42Å; R184-L188 PolarHBondContact O-N 3.14Å; R184-E211 IonicContact CZ-OE1 2.66Å; R184-E211 IonicContact CZ-OE2 3.44Å; R184-E211 IonicContact NE-OE1 3.68Å; R184-E211 IonicContact NE-OE2 3.36Å; R184-E211 PolarHBondContact NE-OE2 3.22Å; R184-E211 VanDerWaalsContact NH2-CD 3.34Å; R184-E211 IonicContact NH2-OE1 3.2Å; R184-E211 PolarHBondContact NH2-OE1 2.98Å; R184-E211 IonicContact NH2-OE2 3.56Å; R184-E211 PolarHBondContact NH2-OE2 3.11Å; R184-Y231 HydrophobicContact CB-CE2 4.17Å
185S93.8Very high88.5Confident22 Ų2245.7 Ų45.715%0.15424%0.243CC..Hα-helixtrans-60.3-22.3178.781.60000113.6W181 H182 Y183 P189 W234W181-S185 PolarHBondContact O-N 2.91Å; W181-S185 VanDerWaalsContact O-N 3.1Å; H182-S185 WeakPolarHBondContact O-CB 3.47Å; H182-S185 PolarHBondContact O-N 3.47Å; H182-S185 VanDerWaalsContact O-N 3.1Å; H182-S185 PolarHBondContact O-OG 2.93Å; Y183-S185 VanDerWaalsContact C-N 3.28Å; Y183-S185 PolarHBondContact O-N 3.12Å; S185-P189 VanDerWaalsContact O-CD 3.29Å; S185-P189 WeakPolarHBondContact O-CD 3.38Å; S185-P189 WeakPolarHBondContact O-CG 3.42Å; S185-W234 WeakPolarHBondContact O-CZ2 3.42Å
186C93.4Very high87.4Confident50 Ų5051.2 Ų51.234%0.33828%0.275SS..Hα-helixtrans-92.3-34173.9-56.50000113.2H182 Y183 R184 Q190H182-C186 PolarHBondContact O-N 3.43Å; Y183-C186 HydrophobicContact CD2-CB 4.5Å; Y183-C186 WeakPolarHBondContact O-CB 3.43Å; Y183-C186 PolarHBondContact O-N 3.23Å; R184-C186 PolarHBondContact O-N 3.48Å; R184-C186 VanDerWaalsContact O-N 3.11Å; C186-Q190 WeakPolarHBondContact O-CG 3.44Å; C186-Q190 PolarHBondContact O-NE2 3.17Å
187L95.4Very high86.1Confident4 Ų455.3 Ų55.32%0.02130%0.304CS..Hα-helixtrans-78.2-43.2-176.1-70.5168.2000112.5P160 E163 L164 T167 Y183 R184 Q190 L191P160-L187 HydrophobicContact CB-CD2 4.05Å; E163-L187 HydrophobicContact CB-CD1 3.95Å; E163-L187 HydrophobicContact CB-CD2 4.02Å; L164-L187 HydrophobicContact CB-CD1 4.38Å; L164-L187 HydrophobicContact CD1-CB 4.41Å; L164-L187 HydrophobicContact CD1-CD1 4.48Å; T167-L187 HydrophobicContact CG2-CD1 4.3Å; Y183-L187 HydrophobicContact CD1-CD1 3.86Å; Y183-L187 HydrophobicContact CD2-CD1 4.02Å; Y183-L187 HydrophobicContact CD2-CD2 4.47Å; Y183-L187 HydrophobicContact CD2-CG 3.92Å; Y183-L187 HydrophobicContact CE1-CD1 3.91Å; Y183-L187 HydrophobicContact CE2-CD1 4.01Å; Y183-L187 HydrophobicContact CE2-CD2 3.83Å; Y183-L187 HydrophobicContact CE2-CG 3.78Å; Y183-L187 HydrophobicContact CG-CD1 3.94Å; Y183-L187 HydrophobicContact CG-CG 4.34Å; Y183-L187 WeakPolarHBondContact O-CG 3.38Å; Y183-L187 PolarHBondContact O-N 3.13Å; R184-L187 PolarHBondContact O-N 2.8Å; R184-L187 VanDerWaalsContact O-N 3.1Å; L187-Q190 WeakPolarHBondContact O-CB 3.45Å; L187-Q190 PolarHBondContact O-N 3.28Å; L187-L191 PolarHBondContact O-N 3.22Å; L187-L191 VanDerWaalsContact O-N 3.1Å
188L94.7Very high84.7Confident2 Ų256.8 Ų56.81%0.0132%0.32CS..Hα-helixtrans-60.5-43.2-175.2-69.5162.1000112.8L164 R184 Q190 L191 H192 L203 V207 E211 Y231L164-L188 HydrophobicContact CD1-CD2 4.11Å; L164-L188 HydrophobicContact CD1-CG 4.2Å; L164-L188 HydrophobicContact CD2-CD2 3.84Å; R184-L188 HydrophobicContact CB-CD1 4.19Å; R184-L188 WeakPolarHBondContact O-CB 3.39Å; R184-L188 WeakPolarHBondContact O-CG 3.42Å; R184-L188 PolarHBondContact O-N 3.14Å; L188-Q190 PolarHBondContact O-N 3.08Å; L188-L191 PolarHBondContact O-N 3.25Å; L188-H192 WeakPolarHBondContact O-CB 3.22Å; L188-H192 PolarHBondContact O-CD2 3.39Å; L188-H192 PolarHBondContact O-N 2.9Å; L188-L203 HydrophobicContact CB-CD1 4.28Å; L188-L203 HydrophobicContact CB-CD2 3.55Å; L188-L203 HydrophobicContact CD1-CD1 3.96Å; L188-V207 HydrophobicContact CD2-CG1 4.07Å; L188-E211 HydrophobicContact CD1-CG 3.85Å; L188-Y231 WeakPolarHBondContact CD1-OH 3.49Å
189P90.4Very high82.9Confident50 Ų5056.2 Ų56.233%0.32533%0.33SS..Hα-helixtrans-63.4-26.7174.2-24.236.1000114.2S185 H192 P193 L203S185-P189 VanDerWaalsContact O-CD 3.29Å; S185-P189 WeakPolarHBondContact O-CD 3.38Å; S185-P189 WeakPolarHBondContact O-CG 3.42Å; P189-H192 CarbonylContact O-C 3.15Å; P189-P193 WeakPolarHBondContact O-CA 3.45Å; P189-L203 HydrophobicContact CG-CD2 4.34Å
190Q90.7Very high81.5Confident120 Ų12058 Ų5856%0.56134%0.337SS*.Hα-helixtrans-74.7-36176.2-63.8172.84500111.8C186 L187 L188C186-Q190 WeakPolarHBondContact O-CG 3.44Å; C186-Q190 PolarHBondContact O-NE2 3.17Å; L187-Q190 WeakPolarHBondContact O-CB 3.45Å; L187-Q190 PolarHBondContact O-N 3.28Å; L188-Q190 PolarHBondContact O-N 3.08Å
191L92.5Very high80.4Confident55 Ų5558.5 Ų58.529%0.28834%0.341SS..Hα-helixtrans-77.3-29.9177.3-73167.7000112.6P160 A161 L164 L187 L188 P193P160-L191 HydrophobicContact CB-CD1 4.39Å; P160-L191 HydrophobicContact CB-CD2 3.87Å; P160-L191 HydrophobicContact CB-CG 3.91Å; A161-L191 HydrophobicContact CB-CD2 4.03Å; L164-L191 HydrophobicContact CB-CD1 4.17Å; L164-L191 HydrophobicContact CD2-CD1 3.69Å; L164-L191 HydrophobicContact CG-CD1 4.5Å; L187-L191 PolarHBondContact O-N 3.22Å; L187-L191 VanDerWaalsContact O-N 3.1Å; L188-L191 PolarHBondContact O-N 3.25Å; L191-P193 VanDerWaalsContact C-CD 3.48Å
192H90Very high79.6Confident66 Ų6661.8 Ų61.831%0.30635%0.354SS..SBendtrans-131.264.5-172.3-56.2-65.9000110.5L188 P189 Q194 P204L188-H192 WeakPolarHBondContact O-CB 3.22Å; L188-H192 PolarHBondContact O-CD2 3.39Å; L188-H192 PolarHBondContact O-N 2.9Å; P189-H192 CarbonylContact O-C 3.15Å; H192-Q194 PolarHBondContact O-N 3.46Å; H192-P204 HydrophobicContact CB-CG 3.86Å
193P82.3Confident79.2Confident99 Ų9957.7 Ų57.764%0.64334%0.335SS*.PPolyproline II helixtrans-62.6127.5178.827.1-33.7000109.4P189 L191P189-P193 WeakPolarHBondContact O-CA 3.45Å; L191-P193 VanDerWaalsContact C-CD 3.48Å
194Q68.6Low78.8Confident59 Ų5958.6 Ų58.628%0.27634%0.343SS..PPolyproline II helixtrans-74.4142.2173.8-75.3-173.7-1800110.3H192 G201 L203H192-Q194 PolarHBondContact O-N 3.46Å; Q194-G201 VanDerWaalsContact CD-O 3.27Å; Q194-G201 VanDerWaalsContact NE2-C 3.31Å; Q194-G201 PolarHBondContact NE2-O 3.44Å; Q194-G201 PolarHBondContact OE1-O 3.06Å; Q194-L203 VanDerWaalsContact NE2-C 3.34Å; Q194-L203 PolarHBondContact NE2-O 3.13Å
195P59.1Low78.4Confident92 Ų9262.2 Ų62.260%0.59736%0.36SS*.PPolyproline II helixtrans-67.3143.8169.427-31.4000110.6S197 G198P195-S197 PolarHBondContact O-N 3.42Å; P195-G198 PolarHBondContact O-N 2.85Å
196D56.6Low78.2Confident169 Ų16965.6 Ų65.690%0.90438%0.376SS*.THydrogen-bonded Turntrans-58.1-9.4-174.7-65.5-44000115.3
197S53.6Low78.1Confident122 Ų12263.7 Ų63.785%0.85336%0.363SS*.THydrogen-bonded Turntrans-125.712-173.956.90000114.9P195P195-S197 PolarHBondContact O-N 3.42Å
198G54.6Low78Confident32 Ų3263.7 Ų63.733%0.3336%0.363SS..SBendtrans-105.5177.2-175.700000116.1P195 Q200P195-G198 PolarHBondContact O-N 2.85Å; G198-Q200 PolarHBondContact O-N 2.83Å
199P54.4Low77.9Confident105 Ų10565.3 Ų65.368%0.68237%0.371SS*.  trans-52.6133.4-172.4-2330.4000114G201P199-G201 PolarHBondContact O-N 3.11Å
200Q64Low78.1Confident59 Ų5969 Ų6928%0.27638%0.382SS..  trans-71.926.9-169.9-60.6-172.510.900116.1G198 E349G198-Q200 PolarHBondContact O-N 2.83Å; Q200-E349 PolarHBondContact NE2-O 3.03Å
201G70.6Confident78.3Confident10 Ų1063.9 Ų63.910%0.10336%0.358CS..BIsolated β-bridgetrans-67.4170.1169.700000111.5Q194 P199Q194-G201 VanDerWaalsContact CD-O 3.27Å; Q194-G201 VanDerWaalsContact NE2-C 3.31Å; Q194-G201 PolarHBondContact NE2-O 3.44Å; Q194-G201 PolarHBondContact OE1-O 3.06Å; P199-G201 PolarHBondContact O-N 3.11Å
202R78.5Confident78.4Confident71 Ų7161.2 Ų61.227%0.26835%0.345SS..SBendtrans-78-22.9170.9-73-156.9-179.7-101.3-5.3114.1W234 R238R202-W234 HydrophobicContact CB-CZ2 4.36Å; R202-W234 VanDerWaalsContact CD-O 3.23Å; R202-W234 WeakPolarHBondContact CD-O 3.47Å; R202-W234 PolarHBondContact NE-O 2.95Å; R202-R238 PolarHBondContact NE-O 3.45Å; R202-R238 VanDerWaalsContact NE-O 3.16Å; R202-R238 PolarHBondContact NH2-O 3.24Å
203L87.4Confident78.5Confident4 Ų464 Ų642%0.02136%0.357CS..SBendtrans-139.4157.1-174.2-62.2173.5000108.9L188 P189 Q194 V207 L208 E211 W234 L235L188-L203 HydrophobicContact CB-CD1 4.28Å; L188-L203 HydrophobicContact CB-CD2 3.55Å; L188-L203 HydrophobicContact CD1-CD1 3.96Å; P189-L203 HydrophobicContact CG-CD2 4.34Å; Q194-L203 VanDerWaalsContact NE2-C 3.34Å; Q194-L203 PolarHBondContact NE2-O 3.13Å; L203-V207 HydrophobicContact CD1-CG1 4.27Å; L203-L208 HydrophobicContact CB-CB 4.33Å; L203-E211 HydrophobicContact CD1-CG 4.31Å; L203-W234 HydrophobicContact CD1-CH2 4.21Å; L203-W234 HydrophobicContact CD1-CZ3 4.19Å; L203-W234 HydrophobicContact CD2-CH2 4.41Å; L203-W234 HydrophobicContact CG-CH2 4.34Å; L203-L235 HydrophobicContact CD1-CD2 3.88Å
204P88.1Confident79.1Confident35 Ų3561.3 Ų61.323%0.22734%0.338CS..  trans-53.2144.7164.2-27.238.7000110.9H192 D206 V207 L208H192-P204 HydrophobicContact CB-CG 3.86Å; P204-D206 VanDerWaalsContact C-N 3.33Å; P204-D206 WeakPolarHBondContact CB-OD1 3.37Å; P204-D206 PolarHBondContact O-N 3.23Å; P204-V207 HydrophobicContact CB-CG2 4.42Å; P204-V207 PolarHBondContact O-N 3.45Å; P204-V207 VanDerWaalsContact O-N 3.11Å; P204-L208 PolarHBondContact O-N 3.43Å
205E87.4Confident80.3Confident81 Ų8158.5 Ų58.538%0.37933%0.325SS..Hα-helixtrans-60.3-41.6-168.1-169.9179.7126.800112.9V207 L208 L209 S357E205-V207 VanDerWaalsContact C-N 3.25Å; E205-V207 PolarHBondContact O-N 3.47Å; E205-L208 WeakPolarHBondContact O-CB 3.49Å; E205-L208 PolarHBondContact O-N 3.43Å; E205-L208 VanDerWaalsContact O-N 3.16Å; E205-L209 HydrophobicContact CG-CD1 4.34Å; E205-L209 HydrophobicContact CG-CG 4.39Å; E205-L209 VanDerWaalsContact O-CG 3.32Å; E205-L209 WeakPolarHBondContact O-CG 3.49Å; E205-L209 PolarHBondContact O-N 3.07Å; E205-S357 WeakPolarHBondContact OE1-CB 3.45Å; E205-S357 PolarHBondContact OE1-OG 3.19Å; E205-S357 PolarHBondContact OE2-OG 2.59Å
206D89.4Confident81.9Confident93 Ų9355.9 Ų55.950%0.49730%0.304SS..Hα-helixtrans-63.3-31.3179.269.1-60.3000113.1P204 K210P204-D206 VanDerWaalsContact C-N 3.33Å; P204-D206 WeakPolarHBondContact CB-OD1 3.37Å; P204-D206 PolarHBondContact O-N 3.23Å; D206-K210 WeakPolarHBondContact O-CD 3.2Å; D206-K210 WeakPolarHBondContact O-CG 3.25Å
207V92.8Very high83.6Confident9 Ų952 Ų526%0.05528%0.284CS..Hα-helixtrans-78.4-42.4174.1-177.70000110.2L188 L203 P204 E205 L209 K210 E211L188-V207 HydrophobicContact CD2-CG1 4.07Å; L203-V207 HydrophobicContact CD1-CG1 4.27Å; P204-V207 HydrophobicContact CB-CG2 4.42Å; P204-V207 PolarHBondContact O-N 3.45Å; P204-V207 VanDerWaalsContact O-N 3.11Å; E205-V207 VanDerWaalsContact C-N 3.25Å; E205-V207 PolarHBondContact O-N 3.47Å; V207-L209 VanDerWaalsContact C-N 3.34Å; V207-L209 PolarHBondContact O-N 3.16Å; V207-K210 PolarHBondContact O-N 3.37Å; V207-E211 PolarHBondContact O-N 3.01Å
208L91.8Very high85.4Confident4 Ų446.2 Ų46.22%0.02124%0.243CC..Hα-helixtrans-57-46.2177.7176.662.5000111.7L203 P204 E205 K210 E211 L212 L235 K360L203-L208 HydrophobicContact CB-CB 4.33Å; P204-L208 PolarHBondContact O-N 3.43Å; E205-L208 WeakPolarHBondContact O-CB 3.49Å; E205-L208 PolarHBondContact O-N 3.43Å; E205-L208 VanDerWaalsContact O-N 3.16Å; L208-K210 VanDerWaalsContact C-N 3.33Å; L208-K210 PolarHBondContact O-N 3.19Å; L208-E211 PolarHBondContact O-N 3.17Å; L208-L212 HydrophobicContact CD1-CD1 4.31Å; L208-L212 HydrophobicContact CD1-CG 4.25Å; L208-L212 HydrophobicContact CG-CD1 4.08Å; L208-L212 HydrophobicContact CG-CG 4.45Å; L208-L212 WeakPolarHBondContact O-CB 3.3Å; L208-L212 WeakPolarHBondContact O-CG 3.27Å; L208-L212 PolarHBondContact O-N 2.99Å; L208-L235 HydrophobicContact CD1-CB 3.84Å; L208-L235 HydrophobicContact CD1-CD2 3.94Å; L208-L235 HydrophobicContact CD1-CG 4.42Å; L208-K360 HydrophobicContact CD2-CD 4.24Å
209L92.6Very high87.1Confident36 Ų3644.7 Ų44.719%0.18823%0.228CC..Hα-helixtrans-63.6-38-179.4-63.9177.3000112.2E205 V207 L212 E213 E359 K360 V363E205-L209 HydrophobicContact CG-CD1 4.34Å; E205-L209 HydrophobicContact CG-CG 4.39Å; E205-L209 VanDerWaalsContact O-CG 3.32Å; E205-L209 WeakPolarHBondContact O-CG 3.49Å; E205-L209 PolarHBondContact O-N 3.07Å; V207-L209 VanDerWaalsContact C-N 3.34Å; V207-L209 PolarHBondContact O-N 3.16Å; L209-L212 HydrophobicContact CD2-CD1 4.41Å; L209-L212 PolarHBondContact O-N 3.25Å; L209-E213 PolarHBondContact O-N 3.42Å; L209-E213 VanDerWaalsContact O-N 3.1Å; L209-E359 HydrophobicContact CD1-CB 4.24Å; L209-K360 HydrophobicContact CD2-CB 4.05Å; L209-K360 HydrophobicContact CD2-CG 4.14Å; L209-V363 HydrophobicContact CD2-CB 4.21Å; L209-V363 HydrophobicContact CD2-CG1 4.42Å; L209-V363 HydrophobicContact CD2-CG2 4.15Å
210K94.3Very high88.8Confident127 Ų12742.9 Ų42.955%0.55221%0.209SC*.Hα-helixtrans-66.4-41.9175.1-68.3168.4-172.7161.50111.9D206 V207 L208 L212 E213 L214D206-K210 WeakPolarHBondContact O-CD 3.2Å; D206-K210 WeakPolarHBondContact O-CG 3.25Å; V207-K210 PolarHBondContact O-N 3.37Å; L208-K210 VanDerWaalsContact C-N 3.33Å; L208-K210 PolarHBondContact O-N 3.19Å; K210-L212 VanDerWaalsContact C-N 3.35Å; K210-E213 PolarHBondContact O-N 3.24Å; K210-L214 WeakPolarHBondContact O-CB 3.37Å; K210-L214 PolarHBondContact O-N 3.47Å
211E95.5Very high90Very high13 Ų1345.1 Ų45.16%0.06123%0.227CC..Hα-helixtrans-69-34.1177.3-70.5-59.3122.400112.3R184 L188 L203 V207 L208 L214 V215 Y231 L235R184-E211 IonicContact CZ-OE1 2.66Å; R184-E211 IonicContact CZ-OE2 3.44Å; R184-E211 IonicContact NE-OE1 3.68Å; R184-E211 IonicContact NE-OE2 3.36Å; R184-E211 PolarHBondContact NE-OE2 3.22Å; R184-E211 VanDerWaalsContact NH2-CD 3.34Å; R184-E211 IonicContact NH2-OE1 3.2Å; R184-E211 PolarHBondContact NH2-OE1 2.98Å; R184-E211 IonicContact NH2-OE2 3.56Å; R184-E211 PolarHBondContact NH2-OE2 3.11Å; L188-E211 HydrophobicContact CD1-CG 3.85Å; L203-E211 HydrophobicContact CD1-CG 4.31Å; V207-E211 PolarHBondContact O-N 3.01Å; L208-E211 PolarHBondContact O-N 3.17Å; E211-L214 PolarHBondContact O-N 3.38Å; E211-V215 WeakPolarHBondContact O-CB 3.23Å; E211-V215 WeakPolarHBondContact O-CG1 3.46Å; E211-V215 PolarHBondContact O-N 3.2Å; E211-Y231 PolarHBondContact OE2-OH 3.47Å; E211-L235 HydrophobicContact CB-CD1 3.8Å; E211-L235 HydrophobicContact CB-CD2 3.76Å; E211-L235 HydrophobicContact CB-CG 4.46Å; E211-L235 HydrophobicContact CG-CD2 4.41Å
212L94.7Very high91Very high0 Ų047.9 Ų47.90%024%0.24CC..Hα-helixtrans-61.4-48.9173.2-78.7173.2000111L208 L209 K210 L214 V215 Q216 L235 L236 L364 E367L208-L212 HydrophobicContact CD1-CD1 4.31Å; L208-L212 HydrophobicContact CD1-CG 4.25Å; L208-L212 HydrophobicContact CG-CD1 4.08Å; L208-L212 HydrophobicContact CG-CG 4.45Å; L208-L212 WeakPolarHBondContact O-CB 3.3Å; L208-L212 WeakPolarHBondContact O-CG 3.27Å; L208-L212 PolarHBondContact O-N 2.99Å; L209-L212 HydrophobicContact CD2-CD1 4.41Å; L209-L212 PolarHBondContact O-N 3.25Å; K210-L212 VanDerWaalsContact C-N 3.35Å; L212-L214 VanDerWaalsContact C-N 3.34Å; L212-L214 PolarHBondContact O-N 3.2Å; L212-V215 VanDerWaalsContact O-CG1 3.29Å; L212-V215 WeakPolarHBondContact O-CG1 3.49Å; L212-V215 PolarHBondContact O-N 3.08Å; L212-Q216 WeakPolarHBondContact O-CB 3.5Å; L212-Q216 PolarHBondContact O-N 3.43Å; L212-L235 HydrophobicContact CD2-CB 4.08Å; L212-L235 HydrophobicContact CD2-CD1 4.03Å; L212-L235 HydrophobicContact CG-CD1 4.34Å; L212-L236 HydrophobicContact CD2-CD2 4.39Å; L212-L364 HydrophobicContact CD1-CD2 3.91Å; L212-E367 WeakPolarHBondContact CB-OE1 3.29Å
213E93.4Very high91.6Very high123 Ų12345.2 Ų45.258%0.57523%0.231SC*.Hα-helixtrans-60.4-42.6174.8-175.8179.9-172.600112.2L209 K210 Q216 N217L209-E213 PolarHBondContact O-N 3.42Å; L209-E213 VanDerWaalsContact O-N 3.1Å; K210-E213 PolarHBondContact O-N 3.24Å; E213-Q216 PolarHBondContact O-N 3.13Å; E213-N217 PolarHBondContact O-N 2.95Å; E213-N217 VanDerWaalsContact O-N 3.08Å; E213-N217 PolarHBondContact O-ND2 3.43Å
214L94.1Very high91.7Very high44 Ų4450.4 Ų50.423%0.2326%0.259CS..Hα-helixtrans-61.7-48.6178.3178.164.4000111.9W181 K210 E211 L212 Q216 N217 A218W181-L214 HydrophobicContact CH2-CD2 4.2Å; W181-L214 HydrophobicContact CH2-CG 3.99Å; W181-L214 HydrophobicContact CZ3-CD2 4.07Å; W181-L214 HydrophobicContact CZ3-CG 4.29Å; K210-L214 WeakPolarHBondContact O-CB 3.37Å; K210-L214 PolarHBondContact O-N 3.47Å; E211-L214 PolarHBondContact O-N 3.38Å; L212-L214 VanDerWaalsContact C-N 3.34Å; L212-L214 PolarHBondContact O-N 3.2Å; L214-Q216 VanDerWaalsContact C-N 3.33Å; L214-N217 PolarHBondContact O-N 2.82Å; L214-A218 PolarHBondContact O-N 3.06Å
215V94.1Very high91.7Very high0 Ų049.4 Ų49.40%025%0.252CS..Hα-helixtrans-71.4-32-179.375.10000111.5W181 E211 L212 A218 F219 A228 Y231 H232 L235W181-V215 HydrophobicContact CH2-CB 4.38Å; W181-V215 HydrophobicContact CH2-CG2 4.43Å; W181-V215 HydrophobicContact CZ3-CB 4.47Å; E211-V215 WeakPolarHBondContact O-CB 3.23Å; E211-V215 WeakPolarHBondContact O-CG1 3.46Å; E211-V215 PolarHBondContact O-N 3.2Å; L212-V215 VanDerWaalsContact O-CG1 3.29Å; L212-V215 WeakPolarHBondContact O-CG1 3.49Å; L212-V215 PolarHBondContact O-N 3.08Å; V215-A218 VanDerWaalsContact O-CB 3.31Å; V215-A218 WeakPolarHBondContact O-CB 3.3Å; V215-A218 PolarHBondContact O-N 2.95Å; V215-A218 VanDerWaalsContact O-N 3.15Å; V215-F219 HydrophobicContact CG1-CE1 4.12Å; V215-F219 HydrophobicContact CG2-CD1 4.12Å; V215-F219 HydrophobicContact CG2-CE1 4.37Å; V215-F219 WeakPolarHBondContact O-CD1 3.24Å; V215-F219 WeakPolarHBondContact O-CE1 3.12Å; V215-F219 PolarHBondContact O-N 2.96Å; V215-F219 VanDerWaalsContact O-N 3.09Å; V215-A228 HydrophobicContact CG2-CB 3.82Å; V215-A228 WeakPolarHBondContact CG2-O 3.46Å; V215-Y231 HydrophobicContact CB-CD1 4.09Å; V215-Y231 HydrophobicContact CG2-CD1 3.91Å; V215-H232 HydrophobicContact CG1-CB 3.88Å; V215-H232 HydrophobicContact CG2-CB 4.03Å; V215-L235 HydrophobicContact CB-CD1 4.46Å; V215-L235 HydrophobicContact CG1-CD1 3.81Å
216Q92.7Very high91.9Very high36 Ų3650.2 Ų50.217%0.16826%0.255CS..Hα-helixtrans-56.9-53172.9-173.6176.412.800110.5L212 E213 L214 A218 F219 F220L212-Q216 WeakPolarHBondContact O-CB 3.5Å; L212-Q216 PolarHBondContact O-N 3.43Å; E213-Q216 PolarHBondContact O-N 3.13Å; L214-Q216 VanDerWaalsContact C-N 3.33Å; Q216-A218 PolarHBondContact O-N 3.27Å; Q216-F219 HydrophobicContact CB-CE1 4.42Å; Q216-F219 HydrophobicContact CB-CZ 4.1Å; Q216-F219 HydrophobicContact CG-CE2 4.28Å; Q216-F219 HydrophobicContact CG-CZ 4.1Å; Q216-F219 PolarHBondContact O-N 3.5Å; Q216-F220 HydrophobicContact CG-CD2 3.42Å; Q216-F220 VanDerWaalsContact CG-CD2 3.42Å; Q216-F220 HydrophobicContact CG-CE2 3.45Å; Q216-F220 VanDerWaalsContact CG-CE2 3.45Å; Q216-F220 VanDerWaalsContact O-CD2 3.26Å; Q216-F220 WeakPolarHBondContact O-CD2 3.45Å; Q216-F220 PolarHBondContact O-N 3.11Å
217N91.1Very high92.1Very high88 Ų8845.9 Ų45.947%0.47123%0.232SC..Hα-helixtrans-55.9-36.9176.6-72.6-45.2000112.5E213 L214 T221E213-N217 PolarHBondContact O-N 2.95Å; E213-N217 VanDerWaalsContact O-N 3.08Å; E213-N217 PolarHBondContact O-ND2 3.43Å; L214-N217 PolarHBondContact O-N 2.82Å; N217-T221 VanDerWaalsContact O-CB 3.27Å; N217-T221 WeakPolarHBondContact O-CB 3.35Å; N217-T221 PolarHBondContact O-N 3.07Å; N217-T221 VanDerWaalsContact O-N 3.12Å; N217-T221 PolarHBondContact O-OG1 3.47Å
218A91.9Very high92.2Very high1 Ų145.4 Ų45.41%0.00823%0.23CC..Hα-helixtrans-63.5-55.6178.500000112.5F175 W181 L214 V215 Q216 T221 D222 A228F175-A218 HydrophobicContact CB-CB 3.93Å; F175-A218 HydrophobicContact CD1-CB 3.48Å; F175-A218 VanDerWaalsContact CD1-CB 3.48Å; F175-A218 HydrophobicContact CE1-CB 4.28Å; F175-A218 HydrophobicContact CG-CB 3.94Å; W181-A218 HydrophobicContact CH2-CB 4.32Å; W181-A218 HydrophobicContact CZ2-CB 3.79Å; L214-A218 PolarHBondContact O-N 3.06Å; V215-A218 VanDerWaalsContact O-CB 3.31Å; V215-A218 WeakPolarHBondContact O-CB 3.3Å; V215-A218 PolarHBondContact O-N 2.95Å; V215-A218 VanDerWaalsContact O-N 3.15Å; Q216-A218 PolarHBondContact O-N 3.27Å; A218-T221 PolarHBondContact O-N 3.35Å; A218-D222 PolarHBondContact O-N 2.7Å; A218-A228 HydrophobicContact CB-CB 3.77Å
219F90.9Very high92.5Very high0 Ų045.5 Ų45.50%023%0.23CC..Hα-helixtrans-79.1-17.3-175.762.8-115.4000114.3V215 Q216 D222 P223 A228 W229 H232V215-F219 HydrophobicContact CG1-CE1 4.12Å; V215-F219 HydrophobicContact CG2-CD1 4.12Å; V215-F219 HydrophobicContact CG2-CE1 4.37Å; V215-F219 WeakPolarHBondContact O-CD1 3.24Å; V215-F219 WeakPolarHBondContact O-CE1 3.12Å; V215-F219 PolarHBondContact O-N 2.96Å; V215-F219 VanDerWaalsContact O-N 3.09Å; Q216-F219 HydrophobicContact CB-CE1 4.42Å; Q216-F219 HydrophobicContact CB-CZ 4.1Å; Q216-F219 HydrophobicContact CG-CE2 4.28Å; Q216-F219 HydrophobicContact CG-CZ 4.1Å; Q216-F219 PolarHBondContact O-N 3.5Å; F219-D222 CarbonylContact O-C 3.58Å; F219-P223 WeakPolarHBondContact O-CA 3.31Å; F219-P223 VanDerWaalsContact O-N 3.12Å; F219-A228 HydrophobicContact CB-CB 3.9Å; F219-A228 HydrophobicContact CD1-CB 4.29Å; F219-W229 HydrophobicContact CB-CD2 3.84Å; F219-W229 HydrophobicContact CB-CE3 4.23Å; F219-W229 HydrophobicContact CB-CG 4.38Å; F219-W229 HydrophobicContact CB-CH2 4.13Å; F219-W229 HydrophobicContact CB-CZ2 3.7Å; F219-W229 HydrophobicContact CB-CZ3 4.36Å; F219-W229 HydrophobicContact CD1-CD2 4.24Å; F219-W229 AromaticContact CD1-CE3 3.88Å; F219-W229 HydrophobicContact CD1-CE3 3.88Å; F219-W229 HydrophobicContact CD1-CH2 4.49Å; F219-W229 HydrophobicContact CD1-CZ3 4.02Å; F219-W229 HydrophobicContact CD2-CD2 4.41Å; F219-W229 HydrophobicContact CD2-CE3 4.02Å; F219-W229 AromaticContact CD2-CH2 3.17Å; F219-W229 HydrophobicContact CD2-CH2 3.17Å; F219-W229 AromaticContact CD2-CZ2 3.61Å; F219-W229 HydrophobicContact CD2-CZ2 3.61Å; F219-W229 AromaticContact CD2-CZ3 3.4Å; F219-W229 HydrophobicContact CD2-CZ3 3.4Å; F219-W229 HydrophobicContact CE1-CE3 4.18Å; F219-W229 HydrophobicContact CE1-CZ3 4.1Å; F219-W229 HydrophobicContact CE2-CE3 4.29Å; F219-W229 AromaticContact CE2-CH2 3.55Å; F219-W229 HydrophobicContact CE2-CH2 3.55Å; F219-W229 HydrophobicContact CE2-CZ2 4.42Å; F219-W229 AromaticContact CE2-CZ3 3.46Å; F219-W229 HydrophobicContact CE2-CZ3 3.46Å; F219-W229 VanDerWaalsContact CE2-CZ3 3.46Å; F219-W229 AromaticContact CG-CD2 3.96Å; F219-W229 HydrophobicContact CG-CD2 3.96Å; F219-W229 AromaticContact CG-CE2 3.93Å; F219-W229 AromaticContact CG-CE3 3.81Å; F219-W229 HydrophobicContact CG-CE3 3.81Å; F219-W229 AromaticContact CG-CH2 3.72Å; F219-W229 HydrophobicContact CG-CH2 3.72Å; F219-W229 AromaticContact CG-CZ2 3.84Å; F219-W229 HydrophobicContact CG-CZ2 3.84Å; F219-W229 AromaticContact CG-CZ3 3.7Å; F219-W229 HydrophobicContact CG-CZ3 3.7Å; F219-W229 HydrophobicContact CZ-CE3 4.38Å; F219-W229 HydrophobicContact CZ-CH2 4.38Å; F219-W229 AromaticContact CZ-CZ3 3.84Å; F219-W229 HydrophobicContact CZ-CZ3 3.84Å; F219-H232 HydrophobicContact CE1-CB 4.12Å; F219-H232 AromaticContact CE1-CD2 3.8Å
220F89.8Confident92.6Very high66 Ų6647.6 Ų47.629%0.28924%0.237SC..Hα-helixtrans-79.5-24.7167.3-80.6-73.6000112.5Q216 S370 L374Q216-F220 HydrophobicContact CG-CD2 3.42Å; Q216-F220 VanDerWaalsContact CG-CD2 3.42Å; Q216-F220 HydrophobicContact CG-CE2 3.45Å; Q216-F220 VanDerWaalsContact CG-CE2 3.45Å; Q216-F220 VanDerWaalsContact O-CD2 3.26Å; Q216-F220 WeakPolarHBondContact O-CD2 3.45Å; Q216-F220 PolarHBondContact O-N 3.11Å; F220-S370 WeakPolarHBondContact CE1-O 3.29Å; F220-L374 HydrophobicContact CD1-CD2 4.14Å; F220-L374 HydrophobicContact CE1-CB 3.88Å; F220-L374 HydrophobicContact CE1-CD2 3.98Å; F220-L374 HydrophobicContact CE1-CG 4.46Å
221T89.8Confident92.7Very high106 Ų10642 Ų4265%0.6521%0.213SC*.Hα-helixtrans-76.3-42.1174.1-60.20000111.6N217 A218N217-T221 VanDerWaalsContact O-CB 3.27Å; N217-T221 WeakPolarHBondContact O-CB 3.35Å; N217-T221 PolarHBondContact O-N 3.07Å; N217-T221 VanDerWaalsContact O-N 3.12Å; N217-T221 PolarHBondContact O-OG1 3.47Å; A218-T221 PolarHBondContact O-N 3.35Å
222D90.3Very high92.7Very high69 Ų6941.3 Ų41.337%0.36921%0.21SC..  trans-132.989.8171.5-174.3-1.8000110.7A218 F219 N224 D225A218-D222 PolarHBondContact O-N 2.7Å; F219-D222 CarbonylContact O-C 3.58Å; D222-N224 PolarHBondContact O-N 3.17Å; D222-N224 VanDerWaalsContact O-N 3.08Å; D222-N224 PolarHBondContact OD1-N 3.38Å; D222-N224 VanDerWaalsContact OD1-N 3.11Å; D222-D225 HydrophobicContact CB-CB 4.3Å; D222-D225 PolarHBondContact O-N 3.33Å; D222-D225 PolarHBondContact OD1-N 3.1Å
223P92.6Very high92.7Very high14 Ų1445 Ų459%0.09122%0.224CC..THydrogen-bonded Turntrans-58.3-20.9178.9-28.537.4000115.1F219 W229 L374 E378 N381F219-P223 WeakPolarHBondContact O-CA 3.31Å; F219-P223 VanDerWaalsContact O-N 3.12Å; P223-W229 PolarHBondContact O-NE1 2.63Å; P223-L374 HydrophobicContact CB-CD1 4.27Å; P223-L374 HydrophobicContact CB-CD2 4.22Å; P223-L374 HydrophobicContact CG-CD1 3.85Å; P223-L374 HydrophobicContact CG-CD2 4.32Å; P223-E378 VanDerWaalsContact CB-OE2 3.27Å; P223-E378 WeakPolarHBondContact CB-OE2 3.48Å; P223-N381 VanDerWaalsContact CB-ND2 3.35Å; P223-N381 WeakPolarHBondContact CB-ND2 3.49Å; P223-N381 PolarHBondContact O-ND2 2.85Å
224N89.4Confident92.8Very high114 Ų11441.3 Ų41.361%0.6120%0.204SC*.THydrogen-bonded Turntrans-85.9-17.5-179.7-68.5-67.4000112.7D222 Q226D222-N224 PolarHBondContact O-N 3.17Å; D222-N224 VanDerWaalsContact O-N 3.08Å; D222-N224 PolarHBondContact OD1-N 3.38Å; D222-N224 VanDerWaalsContact OD1-N 3.11Å; N224-Q226 PolarHBondContact O-N 3.22Å; N224-Q226 VanDerWaalsContact O-N 3.08Å
225D86.8Confident92.7Very high14 Ų1439.3 Ų39.38%0.07519%0.194CC..  trans-68.7108.7175.2175.949.2000110.7S176 D222 S227 A228S176-D225 PolarHBondContact OG-OD1 3.31Å; D222-D225 HydrophobicContact CB-CB 4.3Å; D222-D225 PolarHBondContact O-N 3.33Å; D222-D225 PolarHBondContact OD1-N 3.1Å; D225-S227 VanDerWaalsContact CG-OG 3.32Å; D225-S227 PolarHBondContact O-N 3.39Å; D225-S227 PolarHBondContact OD1-N 3.24Å; D225-S227 PolarHBondContact OD1-OG 3.15Å; D225-S227 WeakPolarHBondContact OD2-CB 3.38Å; D225-S227 PolarHBondContact OD2-N 3.37Å; D225-S227 PolarHBondContact OD2-OG 3.46Å; D225-A228 PolarHBondContact OD2-N 3.08Å; D225-A228 VanDerWaalsContact OD2-N 3.13Å
226Q93.1Very high92.5Very high97 Ų9741.3 Ų41.345%0.45321%0.205SC..Hα-helixtrans-65.8-25.4177.863.91756200113.2N224 A228 W229 F230 W383N224-Q226 PolarHBondContact O-N 3.22Å; N224-Q226 VanDerWaalsContact O-N 3.08Å; Q226-A228 PolarHBondContact O-N 2.85Å; Q226-W229 PolarHBondContact O-N 3.09Å; Q226-F230 HydrophobicContact CB-CD2 4.13Å; Q226-F230 HydrophobicContact CB-CE2 4.13Å; Q226-F230 HydrophobicContact CG-CD2 4.48Å; Q226-F230 HydrophobicContact CG-CE2 4.48Å; Q226-F230 VanDerWaalsContact O-CD2 3.23Å; Q226-F230 WeakPolarHBondContact O-CD2 3.34Å; Q226-F230 PolarHBondContact O-N 3.37Å; Q226-W383 HydrophobicContact CB-CD2 4.33Å; Q226-W383 HydrophobicContact CB-CH2 4.04Å; Q226-W383 HydrophobicContact CB-CZ2 3.37Å; Q226-W383 HydrophobicContact CG-CZ2 4.37Å
227S93.4Very high92.1Very high2 Ų240.7 Ų40.71%0.01421%0.208CC..Hα-helixtrans-66.8-42.5-166.679.20000112.8F175 N177 W181 D225 F230 Y231F175-S227 PolarHBondContact O-OG 2.95Å; N177-S227 PolarHBondContact N-OG 3.31Å; W181-S227 VanDerWaalsContact CD1-OG 3.25Å; W181-S227 PolarHBondContact NE1-OG 3.29Å; D225-S227 VanDerWaalsContact CG-OG 3.32Å; D225-S227 PolarHBondContact O-N 3.39Å; D225-S227 PolarHBondContact OD1-N 3.24Å; D225-S227 PolarHBondContact OD1-OG 3.15Å; D225-S227 WeakPolarHBondContact OD2-CB 3.38Å; D225-S227 PolarHBondContact OD2-N 3.37Å; D225-S227 PolarHBondContact OD2-OG 3.46Å; S227-F230 PolarHBondContact O-N 2.91Å; S227-Y231 PolarHBondContact O-N 3.49Å; S227-Y231 VanDerWaalsContact O-N 3.07Å
228A94.9Very high91.4Very high0 Ų039.1 Ų39.10%020%0.196CC..Hα-helixtrans-59.8-45.7172.100000111.8V215 A218 F219 D225 Q226 F230 Y231 H232V215-A228 HydrophobicContact CG2-CB 3.82Å; V215-A228 WeakPolarHBondContact CG2-O 3.46Å; A218-A228 HydrophobicContact CB-CB 3.77Å; F219-A228 HydrophobicContact CB-CB 3.9Å; F219-A228 HydrophobicContact CD1-CB 4.29Å; D225-A228 PolarHBondContact OD2-N 3.08Å; D225-A228 VanDerWaalsContact OD2-N 3.13Å; Q226-A228 PolarHBondContact O-N 2.85Å; A228-F230 PolarHBondContact O-N 3.41Å; A228-Y231 PolarHBondContact O-N 3.02Å; A228-Y231 VanDerWaalsContact O-N 3.16Å; A228-H232 WeakPolarHBondContact O-CB 3.11Å; A228-H232 PolarHBondContact O-N 3.1Å
229W96.3Very high90.5Very high6 Ų641 Ų412%0.02321%0.21CC..Hα-helixtrans-61.8-39.4178.1-61.1113.2000113.6F219 P223 Q226 R233 L374 W383 C384 T387F219-W229 HydrophobicContact CB-CD2 3.84Å; F219-W229 HydrophobicContact CB-CE3 4.23Å; F219-W229 HydrophobicContact CB-CG 4.38Å; F219-W229 HydrophobicContact CB-CH2 4.13Å; F219-W229 HydrophobicContact CB-CZ2 3.7Å; F219-W229 HydrophobicContact CB-CZ3 4.36Å; F219-W229 HydrophobicContact CD1-CD2 4.24Å; F219-W229 AromaticContact CD1-CE3 3.88Å; F219-W229 HydrophobicContact CD1-CE3 3.88Å; F219-W229 HydrophobicContact CD1-CH2 4.49Å; F219-W229 HydrophobicContact CD1-CZ3 4.02Å; F219-W229 HydrophobicContact CD2-CD2 4.41Å; F219-W229 HydrophobicContact CD2-CE3 4.02Å; F219-W229 AromaticContact CD2-CH2 3.17Å; F219-W229 HydrophobicContact CD2-CH2 3.17Å; F219-W229 AromaticContact CD2-CZ2 3.61Å; F219-W229 HydrophobicContact CD2-CZ2 3.61Å; F219-W229 AromaticContact CD2-CZ3 3.4Å; F219-W229 HydrophobicContact CD2-CZ3 3.4Å; F219-W229 HydrophobicContact CE1-CE3 4.18Å; F219-W229 HydrophobicContact CE1-CZ3 4.1Å; F219-W229 HydrophobicContact CE2-CE3 4.29Å; F219-W229 AromaticContact CE2-CH2 3.55Å; F219-W229 HydrophobicContact CE2-CH2 3.55Å; F219-W229 HydrophobicContact CE2-CZ2 4.42Å; F219-W229 AromaticContact CE2-CZ3 3.46Å; F219-W229 HydrophobicContact CE2-CZ3 3.46Å; F219-W229 VanDerWaalsContact CE2-CZ3 3.46Å; F219-W229 AromaticContact CG-CD2 3.96Å; F219-W229 HydrophobicContact CG-CD2 3.96Å; F219-W229 AromaticContact CG-CE2 3.93Å; F219-W229 AromaticContact CG-CE3 3.81Å; F219-W229 HydrophobicContact CG-CE3 3.81Å; F219-W229 AromaticContact CG-CH2 3.72Å; F219-W229 HydrophobicContact CG-CH2 3.72Å; F219-W229 AromaticContact CG-CZ2 3.84Å; F219-W229 HydrophobicContact CG-CZ2 3.84Å; F219-W229 AromaticContact CG-CZ3 3.7Å; F219-W229 HydrophobicContact CG-CZ3 3.7Å; F219-W229 HydrophobicContact CZ-CE3 4.38Å; F219-W229 HydrophobicContact CZ-CH2 4.38Å; F219-W229 AromaticContact CZ-CZ3 3.84Å; F219-W229 HydrophobicContact CZ-CZ3 3.84Å; P223-W229 PolarHBondContact O-NE1 2.63Å; Q226-W229 PolarHBondContact O-N 3.09Å; W229-R233 WeakPolarHBondContact O-CB 2.94Å; W229-R233 PolarHBondContact O-N 3.42Å; W229-L374 HydrophobicContact CH2-CD2 3.97Å; W229-L374 HydrophobicContact CZ2-CD2 3.99Å; W229-W383 HydrophobicContact CB-CB 4.02Å; W229-W383 HydrophobicContact CB-CG 4.44Å; W229-W383 AromaticContact CD1-CD1 3.82Å; W229-W383 AromaticContact CD1-CG 3.63Å; W229-W383 HydrophobicContact CD2-CB 3.71Å; W229-W383 HydrophobicContact CG-CB 3.45Å; W229-W383 VanDerWaalsContact CG-CB 3.45Å; W229-W383 HydrophobicContact CG-CG 4.06Å; W229-C384 HydrophobicContact CH2-CB 4.11Å; W229-C384 HydrophobicContact CZ2-CB 4.28Å; W229-T387 HydrophobicContact CE3-CG2 4.18Å; W229-T387 HydrophobicContact CZ3-CG2 3.9Å; W229-T387 WeakPolarHBondContact CZ3-OG1 3.38Å
230F95.8Very high89.5Confident79 Ų7947 Ų4735%0.34624%0.243SC..Hα-helixtrans-66.3-38.6175.1-86.1-80.5000112.1Y178 Q226 S227 A228 W234 W383Y178-F230 HydrophobicContact CE2-CB 4.14Å; Y178-F230 HydrophobicContact CE2-CG 4.45Å; Q226-F230 HydrophobicContact CB-CD2 4.13Å; Q226-F230 HydrophobicContact CB-CE2 4.13Å; Q226-F230 HydrophobicContact CG-CD2 4.48Å; Q226-F230 HydrophobicContact CG-CE2 4.48Å; Q226-F230 VanDerWaalsContact O-CD2 3.23Å; Q226-F230 WeakPolarHBondContact O-CD2 3.34Å; Q226-F230 PolarHBondContact O-N 3.37Å; S227-F230 PolarHBondContact O-N 2.91Å; A228-F230 PolarHBondContact O-N 3.41Å; F230-W234 PolarHBondContact O-N 3.44Å; F230-W234 VanDerWaalsContact O-N 3.11Å; F230-W383 HydrophobicContact CD2-CH2 4.44Å; F230-W383 HydrophobicContact CD2-CZ3 4.36Å; F230-W383 HydrophobicContact CE2-CE3 4.42Å; F230-W383 AromaticContact CE2-CH2 3.39Å; F230-W383 HydrophobicContact CE2-CH2 3.39Å; F230-W383 HydrophobicContact CE2-CZ2 4.26Å; F230-W383 AromaticContact CE2-CZ3 3.49Å; F230-W383 HydrophobicContact CE2-CZ3 3.49Å; F230-W383 VanDerWaalsContact CE2-CZ3 3.49Å; F230-W383 AromaticContact CZ-CH2 3.8Å; F230-W383 HydrophobicContact CZ-CH2 3.8Å; F230-W383 AromaticContact CZ-CZ3 3.72Å; F230-W383 HydrophobicContact CZ-CZ3 3.72Å
231Y96.1Very high88.5Confident9 Ų947.1 Ų47.14%0.03525%0.25CS..Hα-helixtrans-68.1-42.9175.8-173.8-108.2000111.9W181 R184 L188 E211 V215 S227 A228 R233 W234 L235W181-Y231 HydrophobicContact CB-CD2 3.97Å; W181-Y231 HydrophobicContact CB-CG 4.03Å; W181-Y231 HydrophobicContact CD2-CD1 4.12Å; W181-Y231 HydrophobicContact CD2-CG 4.11Å; W181-Y231 AromaticContact CE3-CD1 3.28Å; W181-Y231 HydrophobicContact CE3-CD1 3.28Å; W181-Y231 HydrophobicContact CE3-CD2 4.2Å; W181-Y231 AromaticContact CE3-CE1 3.57Å; W181-Y231 HydrophobicContact CE3-CE1 3.57Å; W181-Y231 HydrophobicContact CE3-CE2 4.44Å; W181-Y231 AromaticContact CE3-CG 3.63Å; W181-Y231 HydrophobicContact CE3-CG 3.63Å; W181-Y231 HydrophobicContact CG-CG 4.3Å; W181-Y231 AromaticContact CZ3-CD1 3.63Å; W181-Y231 HydrophobicContact CZ3-CD1 3.63Å; W181-Y231 AromaticContact CZ3-CE1 3.72Å; W181-Y231 HydrophobicContact CZ3-CE1 3.72Å; W181-Y231 HydrophobicContact CZ3-CG 4.42Å; W181-Y231 WeakPolarHBondContact O-CD2 3.36Å; W181-Y231 WeakPolarHBondContact O-CE2 3.47Å; R184-Y231 HydrophobicContact CB-CE2 4.17Å; L188-Y231 WeakPolarHBondContact CD1-OH 3.49Å; E211-Y231 PolarHBondContact OE2-OH 3.47Å; V215-Y231 HydrophobicContact CB-CD1 4.09Å; V215-Y231 HydrophobicContact CG2-CD1 3.91Å; S227-Y231 PolarHBondContact O-N 3.49Å; S227-Y231 VanDerWaalsContact O-N 3.07Å; A228-Y231 PolarHBondContact O-N 3.02Å; A228-Y231 VanDerWaalsContact O-N 3.16Å; Y231-R233 VanDerWaalsContact C-N 3.34Å; Y231-R233 PolarHBondContact O-N 2.91Å; Y231-W234 AromaticContact CD2-CE3 3.95Å; Y231-W234 HydrophobicContact CD2-CE3 3.95Å; Y231-W234 HydrophobicContact CD2-CZ3 4.47Å; Y231-W234 HydrophobicContact CE2-CD2 4.46Å; Y231-W234 AromaticContact CE2-CE3 3.5Å; Y231-W234 HydrophobicContact CE2-CE3 3.5Å; Y231-W234 VanDerWaalsContact CE2-CE3 3.5Å; Y231-W234 AromaticContact CE2-CZ3 3.58Å; Y231-W234 HydrophobicContact CE2-CZ3 3.58Å; Y231-W234 AromaticContact CZ-CE3 3.98Å; Y231-W234 AromaticContact CZ-CZ3 3.79Å; Y231-W234 CarbonylContact O-C 3.43Å; Y231-W234 WeakPolarHBondContact O-CA 3Å; Y231-W234 VanDerWaalsContact O-CB 3.29Å; Y231-W234 WeakPolarHBondContact O-CB 3.42Å; Y231-W234 PolarHBondContact O-N 3.43Å; Y231-L235 HydrophobicContact CD1-CD1 3.97Å; Y231-L235 HydrophobicContact CD1-CG 4.25Å; Y231-L235 HydrophobicContact CE1-CD1 3.71Å; Y231-L235 HydrophobicContact CE1-CD2 4.09Å; Y231-L235 HydrophobicContact CE1-CG 3.95Å; Y231-L235 PolarHBondContact O-N 2.89Å
232H95.8Very high88Confident0 Ų049 Ų490%025%0.252CS..Hα-helixtrans-57.6-46173.2178.7-90.6000111.8V215 F219 A228 W234 L235 L236 E367 T387V215-H232 HydrophobicContact CG1-CB 3.88Å; V215-H232 HydrophobicContact CG2-CB 4.03Å; F219-H232 HydrophobicContact CE1-CB 4.12Å; F219-H232 AromaticContact CE1-CD2 3.8Å; A228-H232 WeakPolarHBondContact O-CB 3.11Å; A228-H232 PolarHBondContact O-N 3.1Å; H232-W234 PolarHBondContact O-N 2.5Å; H232-L235 WeakPolarHBondContact O-CB 3.38Å; H232-L235 PolarHBondContact O-N 3.36Å; H232-L236 WeakPolarHBondContact CE1-CD1 3.43Å; H232-L236 PolarHBondContact O-N 3.43Å; H232-E367 IonicContact CD2-OE2 3.71Å; H232-E367 IonicContact CE1-OE2 3.8Å; H232-E367 IonicContact NE2-OE1 2.89Å; H232-E367 IonicContact NE2-OE2 3.14Å; H232-E367 PolarHBondContact NE2-OE2 3.4Å; H232-T387 VanDerWaalsContact CE1-CG2 3.45Å; H232-T387 WeakPolarHBondContact CE1-CG2 3.47Å
233R95.3Very high87.8Confident76 Ų7646.7 Ų46.729%0.28724%0.239SC..Hα-helixtrans-58.5-34.9173.3-180173.1-171.1173.99.9112.8W229 Y231 G237 L390 Y421W229-R233 WeakPolarHBondContact O-CB 2.94Å; W229-R233 PolarHBondContact O-N 3.42Å; Y231-R233 VanDerWaalsContact C-N 3.34Å; Y231-R233 PolarHBondContact O-N 2.91Å; R233-G237 PolarHBondContact O-N 3.48Å; R233-L390 HydrophobicContact CB-CD1 4.18Å; R233-L390 HydrophobicContact CG-CD1 3.77Å; R233-Y421 VanDerWaalsContact CZ-OH 3.31Å; R233-Y421 PolarHBondContact NH1-OH 3Å; R233-Y421 PolarHBondContact NH2-OH 3.39Å
234W93.9Very high87.5Confident46 Ų4646.8 Ų46.817%0.17424%0.241CC..Hα-helixtrans-68.5-42.4174.4172.588.2000111.7S185 R202 L203 F230 Y231 H232 L236 G237S185-W234 WeakPolarHBondContact O-CZ2 3.42Å; R202-W234 HydrophobicContact CB-CZ2 4.36Å; R202-W234 VanDerWaalsContact CD-O 3.23Å; R202-W234 WeakPolarHBondContact CD-O 3.47Å; R202-W234 PolarHBondContact NE-O 2.95Å; L203-W234 HydrophobicContact CD1-CH2 4.21Å; L203-W234 HydrophobicContact CD1-CZ3 4.19Å; L203-W234 HydrophobicContact CD2-CH2 4.41Å; L203-W234 HydrophobicContact CG-CH2 4.34Å; F230-W234 PolarHBondContact O-N 3.44Å; F230-W234 VanDerWaalsContact O-N 3.11Å; Y231-W234 AromaticContact CD2-CE3 3.95Å; Y231-W234 HydrophobicContact CD2-CE3 3.95Å; Y231-W234 HydrophobicContact CD2-CZ3 4.47Å; Y231-W234 HydrophobicContact CE2-CD2 4.46Å; Y231-W234 AromaticContact CE2-CE3 3.5Å; Y231-W234 HydrophobicContact CE2-CE3 3.5Å; Y231-W234 VanDerWaalsContact CE2-CE3 3.5Å; Y231-W234 AromaticContact CE2-CZ3 3.58Å; Y231-W234 HydrophobicContact CE2-CZ3 3.58Å; Y231-W234 AromaticContact CZ-CE3 3.98Å; Y231-W234 AromaticContact CZ-CZ3 3.79Å; Y231-W234 CarbonylContact O-C 3.43Å; Y231-W234 WeakPolarHBondContact O-CA 3Å; Y231-W234 VanDerWaalsContact O-CB 3.29Å; Y231-W234 WeakPolarHBondContact O-CB 3.42Å; Y231-W234 PolarHBondContact O-N 3.43Å; H232-W234 PolarHBondContact O-N 2.5Å; W234-L236 PolarHBondContact O-N 2.62Å; W234-G237 WeakPolarHBondContact O-CA 2.94Å; W234-G237 PolarHBondContact O-N 3.37Å
235L92.9Very high87.7Confident3 Ų341.6 Ų41.62%0.01621%0.213CC..Hα-helixtrans-60.8-41.5175.5-67.9173.8000112.7L203 L208 E211 L212 V215 Y231 H232 G237L203-L235 HydrophobicContact CD1-CD2 3.88Å; L208-L235 HydrophobicContact CD1-CB 3.84Å; L208-L235 HydrophobicContact CD1-CD2 3.94Å; L208-L235 HydrophobicContact CD1-CG 4.42Å; E211-L235 HydrophobicContact CB-CD1 3.8Å; E211-L235 HydrophobicContact CB-CD2 3.76Å; E211-L235 HydrophobicContact CB-CG 4.46Å; E211-L235 HydrophobicContact CG-CD2 4.41Å; L212-L235 HydrophobicContact CD2-CB 4.08Å; L212-L235 HydrophobicContact CD2-CD1 4.03Å; L212-L235 HydrophobicContact CG-CD1 4.34Å; V215-L235 HydrophobicContact CB-CD1 4.46Å; V215-L235 HydrophobicContact CG1-CD1 3.81Å; Y231-L235 HydrophobicContact CD1-CD1 3.97Å; Y231-L235 HydrophobicContact CD1-CG 4.25Å; Y231-L235 HydrophobicContact CE1-CD1 3.71Å; Y231-L235 HydrophobicContact CE1-CD2 4.09Å; Y231-L235 HydrophobicContact CE1-CG 3.95Å; Y231-L235 PolarHBondContact O-N 2.89Å; H232-L235 WeakPolarHBondContact O-CB 3.38Å; H232-L235 PolarHBondContact O-N 3.36Å; L235-G237 PolarHBondContact O-N 3.26Å
236L90.1Very high87.9Confident42 Ų4241.7 Ų41.722%0.2221%0.213CC..THydrogen-bonded Turntrans-70-15172.7-67.6-173.3000113.3L212 H232 W234 L364 L390 L391L212-L236 HydrophobicContact CD2-CD2 4.39Å; H232-L236 WeakPolarHBondContact CE1-CD1 3.43Å; H232-L236 PolarHBondContact O-N 3.43Å; W234-L236 PolarHBondContact O-N 2.62Å; L236-L364 HydrophobicContact CD2-CD1 4.38Å; L236-L364 HydrophobicContact CD2-CD2 3.61Å; L236-L390 HydrophobicContact CD1-CB 4.02Å; L236-L391 HydrophobicContact CD1-CD2 3.98Å; L236-L391 HydrophobicContact CD1-CG 4.34Å; L236-L391 HydrophobicContact CD2-CD2 4.28Å
237G83.3Confident88Confident23 Ų2337.1 Ų37.124%0.23719%0.192CC..SBendtrans-71.6176.717800000112.9R233 W234 L235R233-G237 PolarHBondContact O-N 3.48Å; W234-G237 WeakPolarHBondContact O-CA 2.94Å; W234-G237 PolarHBondContact O-N 3.37Å; L235-G237 PolarHBondContact O-N 3.26Å
238R77.1Confident88.2Confident55 Ų5537.1 Ų37.121%0.20819%0.191CC..BIsolated β-bridgetrans-106.4158.3177.6-65.9145.1167.8-80.6-7.5110.9R202 Q350 L351 F352 R353R202-R238 PolarHBondContact NE-O 3.45Å; R202-R238 VanDerWaalsContact NE-O 3.16Å; R202-R238 PolarHBondContact NH2-O 3.24Å; R238-Q350 PolarHBondContact NH1-O 2.77Å; R238-Q350 PolarHBondContact NH2-O 3.03Å; R238-L351 VanDerWaalsContact CZ-O 3.23Å; R238-L351 PolarHBondContact NH1-O 3.05Å; R238-L351 PolarHBondContact NH2-O 3.37Å; R238-F352 PolarHBondContact NH2-O 2.87Å; R238-R353 PolarHBondContact NH2-O 3.49Å; R238-R353 VanDerWaalsContact NH2-O 3.11Å
239A72.3Confident88.3Confident39 Ų3937.3 Ų37.332%0.32219%0.192SC..PPolyproline II helixtrans-58156162.800000110.4
240D70.6Confident88.4Confident127 Ų12737 Ų3768%0.67919%0.191SC*.PPolyproline II helixtrans-63.7130.9174.9-67.5-37.2000108.8Q242D240-Q242 PolarHBondContact O-N 3.34Å
241P68.5Low88.5Confident68 Ų6833.4 Ų33.444%0.44218%0.176SC..PPolyproline II helixtrans-65.3125.4-176.424.6-31.7000109.7
242Q78.6Confident88.4Confident146 Ų14634.8 Ų34.868%0.68218%0.181SC*.PPolyproline II helixtrans-61.9165.2168.6-65.2-67.2-9.500110.6D240 A244 S262D240-Q242 PolarHBondContact O-N 3.34Å; Q242-A244 PolarHBondContact O-N 3Å; Q242-S262 PolarHBondContact O-OG 2.77Å
243D86.8Confident88.3Confident20 Ų2038.9 Ų38.911%0.10720%0.203CC..  trans-59.9111.4173.2-70.57.7000109.1R263 L265 W322 V327D243-R263 IonicContact OD1-CZ 2.82Å; D243-R263 IonicContact OD1-NE 2.62Å; D243-R263 PolarHBondContact OD1-NE 2.66Å; D243-R263 IonicContact OD1-NH2 3.27Å; D243-R263 PolarHBondContact OD1-NH2 3.37Å; D243-R263 IonicContact OD2-NH2 3.05Å; D243-R263 PolarHBondContact OD2-NH2 2.94Å; D243-L265 HydrophobicContact CB-CD1 4.42Å; D243-W322 PolarHBondContact OD2-NE1 2.91Å; D243-V327 WeakPolarHBondContact O-CG2 3.45Å
244A87.6Confident88.2Confident17 Ų1738 Ų3814%0.1420%0.202CC..  trans-132.1134.2178.300000109.9Q242 R246 F261 S262Q242-A244 PolarHBondContact O-N 3Å; A244-R246 PolarHBondContact O-N 3.41Å; A244-F261 CarbonylContact O-C 3.1Å; A244-F261 VanDerWaalsContact O-CA 3.28Å; A244-F261 WeakPolarHBondContact O-CA 3.46Å; A244-S262 PolarHBondContact N-OG 2.86Å; A244-S262 VanDerWaalsContact N-OG 3.09Å; A244-S262 PolarHBondContact O-N 2.81Å
245L92.1Very high88.4Confident4 Ų437.5 Ų37.52%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-74.5109.5165.9-68.1168.4000107.1V259 S260 F261 L274 V320 W322 V327 K329L245-V259 HydrophobicContact CD2-CG1 3.25Å; L245-S260 CarbonylContact C-O 3.19Å; L245-F261 HydrophobicContact CD2-CD1 3.83Å; L245-F261 HydrophobicContact CD2-CE1 3.33Å; L245-F261 HydrophobicContact CD2-CZ 3.76Å; L245-F261 HydrophobicContact CG-CD1 4.49Å; L245-F261 HydrophobicContact CG-CE1 4.13Å; L245-L274 HydrophobicContact CD2-CD2 4.21Å; L245-V320 HydrophobicContact CD1-CB 4.47Å; L245-V320 HydrophobicContact CD1-CG1 4.11Å; L245-V320 HydrophobicContact CD2-CG1 4.39Å; L245-W322 HydrophobicContact CD1-CB 4.42Å; L245-V327 HydrophobicContact CB-CG1 4.38Å; L245-V327 HydrophobicContact CD1-CG1 4.43Å; L245-V327 HydrophobicContact CG-CG1 4.37Å; L245-K329 HydrophobicContact CB-CB 3.98Å; L245-K329 HydrophobicContact CB-CD 4.5Å; L245-K329 HydrophobicContact CD1-CB 4.12Å; L245-K329 WeakPolarHBondContact O-CE 3.37Å
246R91.3Very high88.6Confident16 Ų1637.7 Ų37.76%0.0621%0.209CC..EExtended strand (participates in β ladder)trans-84.9-41.5-176-66.5-54.9-171.4-169.1-1.9112.9A244 S260 R343 D344 E349A244-R246 PolarHBondContact O-N 3.41Å; R246-S260 PolarHBondContact N-O 3.14Å; R246-R343 WeakPolarHBondContact O-CA 3.46Å; R246-D344 WeakPolarHBondContact CD-OD2 3.43Å; R246-D344 IonicContact CZ-OD2 2.66Å; R246-D344 IonicContact NE-OD2 3.83Å; R246-D344 IonicContact NH1-OD2 2.82Å; R246-D344 PolarHBondContact NH1-OD2 3.09Å; R246-D344 WeakPolarHBondContact O-CB 3.42Å; R246-D344 PolarHBondContact O-N 2.74Å; R246-E349 IonicContact NH1-OE2 3.72Å
247C95.5Very high89Confident2 Ų235.7 Ų35.71%0.01420%0.199CC..EExtended strand (participates in β ladder)trans-146.4137.4178.4-174.70000110.9V259 S260 C342 R343C247-V259 CarbonylContact O-C 3.49Å; C247-V259 WeakPolarHBondContact O-CA 3.39Å; C247-S260 WeakPolarHBondContact CA-OG 3.36Å; C247-S260 VanDerWaalsContact CB-OG 3.22Å; C247-S260 WeakPolarHBondContact CB-OG 3.31Å; C247-S260 PolarHBondContact N-OG 2.78Å; C247-S260 PolarHBondContact O-N 3.18Å; C247-S260 PolarHBondContact O-OG 3.02Å; C247-C342 CarbonylContact C-O 3.59Å; C247-C342 VanDerWaalsContact CA-O 3.29Å; C247-C342 WeakPolarHBondContact CA-O 3.37Å; C247-C342 PolarHBondContact SG-O 3.45Å; C247-R343 HydrophobicContact CB-CB 4.12Å; C247-R343 HydrophobicContact CB-CG 4.01Å
248L97.3Very high89.7Confident1 Ų134.8 Ų34.81%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-113.3131.2167.617963.9000107.8L257 V259 F318 V320 K329 C331 W341 C342L248-L257 HydrophobicContact CD1-CD1 3.95Å; L248-L257 HydrophobicContact CD1-CD2 3.53Å; L248-L257 HydrophobicContact CD1-CG 3.68Å; L248-V259 HydrophobicContact CD1-CG2 3.61Å; L248-F318 HydrophobicContact CD2-CB 4.46Å; L248-F318 WeakPolarHBondContact CD2-O 3.27Å; L248-V320 HydrophobicContact CD1-CB 4.44Å; L248-V320 HydrophobicContact CD1-CG2 3.57Å; L248-V320 HydrophobicContact CD2-CG2 4.14Å; L248-K329 HydrophobicContact CB-CD 4.24Å; L248-K329 HydrophobicContact CB-CG 4.22Å; L248-C331 HydrophobicContact CD2-CB 4Å; L248-C331 VanDerWaalsContact CD2-SG 3.55Å; L248-C331 HydrophobicContact CG-CB 4.34Å; L248-W341 CarbonylContact O-C 3.08Å; L248-W341 WeakPolarHBondContact O-CA 3.41Å; L248-W341 VanDerWaalsContact O-CB 3.22Å; L248-W341 WeakPolarHBondContact O-CB 3.39Å; L248-C342 PolarHBondContact N-O 3.46Å; L248-C342 PolarHBondContact O-N 3.15Å
249H98.2Very high90.6Very high4 Ų432.2 Ų32.22%0.01918%0.179CC..EExtended strand (participates in β ladder)trans-138.5131.8177.7168.7-102000110.2L257 T258 E339 W341 L463 L464 C487H249-L257 CarbonylContact O-C 3.56Å; H249-L257 WeakPolarHBondContact O-CA 3.45Å; H249-T258 PolarHBondContact N-O 2.79Å; H249-T258 PolarHBondContact O-N 3.3Å; H249-E339 IonicContact NE2-OE2 3.71Å; H249-W341 HydrophobicContact CB-CB 4.35Å; H249-L463 HydrophobicContact CB-CD2 3.35Å; H249-L464 HydrophobicContact CB-CD2 4.05Å; H249-C487 PolarHBondContact CE1-SG 3.09Å; H249-C487 PolarHBondContact NE2-SG 2.87Å; H249-C487 VanDerWaalsContact NE2-SG 3.42Å
250V98Very high91.7Very high0 Ų030.4 Ų30.40%016%0.164CC..EExtended strand (participates in β ladder)trans-116130.5175.7178.40000108.5L257 L304 L309 F318 L333 E339 G340V250-L257 HydrophobicContact CG2-CB 4.18Å; V250-L257 HydrophobicContact CG2-CD1 3.83Å; V250-L257 HydrophobicContact CG2-CG 3.91Å; V250-L304 HydrophobicContact CG1-CD1 3.64Å; V250-L309 HydrophobicContact CG1-CD2 3.96Å; V250-F318 HydrophobicContact CG1-CD2 4.47Å; V250-F318 HydrophobicContact CG1-CE1 4.45Å; V250-F318 HydrophobicContact CG1-CE2 4.05Å; V250-F318 HydrophobicContact CG1-CZ 4.03Å; V250-F318 HydrophobicContact CG2-CB 4.2Å; V250-F318 HydrophobicContact CG2-CD1 4.14Å; V250-F318 HydrophobicContact CG2-CD2 3.89Å; V250-F318 HydrophobicContact CG2-CE2 4.29Å; V250-F318 HydrophobicContact CG2-CG 3.81Å; V250-L333 HydrophobicContact CG1-CD2 4.21Å; V250-E339 WeakPolarHBondContact O-CA 3.41Å; V250-E339 WeakPolarHBondContact O-CB 3.43Å; V250-G340 PolarHBondContact N-O 2.98Å; V250-G340 PolarHBondContact O-N 3.02Å
251S96.9Very high92.8Very high3 Ų324.3 Ų24.32%0.02113%0.131CC..EExtended strand (participates in β ladder)trans-115.3121.2174.7168.60000109.6E254 A255 C256 R509S251-E254 WeakPolarHBondContact OG-CB 3.4Å; S251-E254 WeakPolarHBondContact OG-CG 3.3Å; S251-E254 PolarHBondContact OG-N 3.05Å; S251-E254 VanDerWaalsContact OG-N 3.17Å; S251-A255 WeakPolarHBondContact O-CA 3.44Å; S251-A255 PolarHBondContact O-N 2.88Å; S251-A255 VanDerWaalsContact O-N 3.14Å; S251-C256 PolarHBondContact N-O 2.79Å; S251-C256 PolarHBondContact O-N 2.73Å; S251-R509 VanDerWaalsContact CB-NH2 3.34Å; S251-R509 PolarHBondContact OG-NH2 2.95Å
252R95.2Very high93.7Very high38 Ų3821.9 Ų21.914%0.14312%0.116CC..THydrogen-bonded Turntrans-68-41.7175.3-171179.2-61.2-106.37.4111.8A255 L309 N310 D311 L334 R337 Q338R252-A255 PolarHBondContact O-N 3.12Å; R252-L309 HydrophobicContact CG-CB 4.43Å; R252-L309 PolarHBondContact NH1-O 2.99Å; R252-N310 PolarHBondContact NH1-O 3.45Å; R252-D311 IonicContact CZ-OD1 3.9Å; R252-D311 IonicContact NH1-OD1 2.77Å; R252-D311 PolarHBondContact NH1-OD1 3.25Å; R252-D311 IonicContact NH2-OD1 2.73Å; R252-D311 PolarHBondContact NH2-OD1 3.41Å; R252-L334 PolarHBondContact NH2-O 3.14Å; R252-R337 PolarHBondContact NE-O 2.87Å; R252-R337 PolarHBondContact NH2-O 3.38Å; R252-Q338 VanDerWaalsContact CB-O 3.32Å; R252-Q338 WeakPolarHBondContact CB-O 3.26Å; R252-Q338 PolarHBondContact N-O 2.91Å
253D92.8Very high94.2Very high87 Ų8719.7 Ų19.747%0.46510%0.101SC..THydrogen-bonded Turntrans-65.1-54-176.3-174.228000111.7A255 R534D253-A255 PolarHBondContact O-N 2.82Å; D253-R534 IonicContact OD1-NH2 3.15Å; D253-R534 PolarHBondContact OD1-NH2 2.9Å; D253-R534 IonicContact OD2-CZ 2.73Å; D253-R534 IonicContact OD2-NH1 2.95Å; D253-R534 PolarHBondContact OD2-NH1 3.41Å; D253-R534 IonicContact OD2-NH2 2.68Å; D253-R534 PolarHBondContact OD2-NH2 3.12Å
254E94.1Very high94.4Very high58 Ų5821.7 Ų21.727%0.27112%0.115SC..THydrogen-bonded Turntrans-69.9-5.1171-59.4-63.5136.800115.2S251 C256 R534S251-E254 WeakPolarHBondContact OG-CB 3.4Å; S251-E254 WeakPolarHBondContact OG-CG 3.3Å; S251-E254 PolarHBondContact OG-N 3.05Å; S251-E254 VanDerWaalsContact OG-N 3.17Å; E254-C256 HydrophobicContact CB-CB 3.94Å; E254-C256 WeakPolarHBondContact O-CB 3.44Å; E254-C256 PolarHBondContact O-N 2.58Å; E254-R534 IonicContact OE1-CZ 3.69Å; E254-R534 IonicContact OE1-NE 2.85Å; E254-R534 PolarHBondContact OE1-NE 2.51Å; E254-R534 IonicContact OE1-NH1 2.66Å; E254-R534 IonicContact OE1-NH2 2.8Å; E254-R534 PolarHBondContact OE1-NH2 3.04Å
255A96.5Very high94.6Very high34 Ų3421.1 Ų21.128%0.28111%0.11SC..THydrogen-bonded Turntrans43.248.4-169.800000113.5S251 R252 D253 L304 L309S251-A255 WeakPolarHBondContact O-CA 3.44Å; S251-A255 PolarHBondContact O-N 2.88Å; S251-A255 VanDerWaalsContact O-N 3.14Å; R252-A255 PolarHBondContact O-N 3.12Å; D253-A255 PolarHBondContact O-N 2.82Å; A255-L304 PolarHBondContact O-N 3.27Å; A255-L309 HydrophobicContact CB-CD1 3.8Å
256C97.3Very high94.6Very high8 Ų824.2 Ų24.25%0.05413%0.126CC..EExtended strand (participates in β ladder)trans-139.5142.7-166.5179.70000112S251 E254 C302S251-C256 PolarHBondContact N-O 2.79Å; S251-C256 PolarHBondContact O-N 2.73Å; E254-C256 HydrophobicContact CB-CB 3.94Å; E254-C256 WeakPolarHBondContact O-CB 3.44Å; E254-C256 PolarHBondContact O-N 2.58Å; C256-C302 WeakPolarHBondContact CA-O 3.24Å; C256-C302 PolarHBondContact SG-O 3.03Å
257L98.3Very high94.6Very high0 Ų024.2 Ų24.20%013%0.128CC..EExtended strand (participates in β ladder)trans-110.6131169-179.5157.2000109.1L248 H249 V250 V259 L276 W287 L301 C302 L304 F318 V320L248-L257 HydrophobicContact CD1-CD1 3.95Å; L248-L257 HydrophobicContact CD1-CD2 3.53Å; L248-L257 HydrophobicContact CD1-CG 3.68Å; H249-L257 CarbonylContact O-C 3.56Å; H249-L257 WeakPolarHBondContact O-CA 3.45Å; V250-L257 HydrophobicContact CG2-CB 4.18Å; V250-L257 HydrophobicContact CG2-CD1 3.83Å; V250-L257 HydrophobicContact CG2-CG 3.91Å; L257-V259 HydrophobicContact CD2-CG2 3.92Å; L257-L276 HydrophobicContact CD1-CD1 3.56Å; L257-L276 HydrophobicContact CD1-CD2 4.15Å; L257-W287 HydrophobicContact CD2-CH2 3.37Å; L257-W287 HydrophobicContact CD2-CZ2 4.44Å; L257-W287 HydrophobicContact CD2-CZ3 3.74Å; L257-L301 CarbonylContact O-C 3.44Å; L257-L301 WeakPolarHBondContact O-CA 3.46Å; L257-L301 VanDerWaalsContact O-CB 3.32Å; L257-L301 WeakPolarHBondContact O-CB 3.4Å; L257-C302 PolarHBondContact N-O 2.88Å; L257-C302 PolarHBondContact O-N 3.39Å; L257-L304 HydrophobicContact CB-CD1 3.99Å; L257-L304 HydrophobicContact CB-CD2 4.14Å; L257-L304 HydrophobicContact CB-CG 4.07Å; L257-F318 HydrophobicContact CD1-CB 4.07Å; L257-F318 HydrophobicContact CD1-CD1 3.79Å; L257-F318 HydrophobicContact CD1-CG 4.23Å; L257-V320 HydrophobicContact CD1-CG2 4.29Å; L257-V320 HydrophobicContact CD2-CG2 4.08Å
258T97.9Very high93.8Very high4 Ų427 Ų273%0.02516%0.157CC..EExtended strand (participates in β ladder)trans-120.1138.3177.8-53.10000110.2H249 V299 W300 L463 R486H249-T258 PolarHBondContact N-O 2.79Å; H249-T258 PolarHBondContact O-N 3.3Å; T258-V299 HydrophobicContact CG2-CG1 3.49Å; T258-V299 VanDerWaalsContact CG2-CG1 3.49Å; T258-W300 WeakPolarHBondContact CA-O 3.24Å; T258-L463 HydrophobicContact CG2-CD1 3.59Å; T258-L463 HydrophobicContact CG2-CG 4.45Å; T258-R486 HydrophobicContact CG2-CG 3.79Å
259V97Very high92.6Very high1 Ų128.7 Ų28.71%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-119.4142.9173.7164.90000109.7L245 C247 L248 L257 F261 W287 V299 W300 V320L245-V259 HydrophobicContact CD2-CG1 3.25Å; C247-V259 CarbonylContact O-C 3.49Å; C247-V259 WeakPolarHBondContact O-CA 3.39Å; L248-V259 HydrophobicContact CD1-CG2 3.61Å; L257-V259 HydrophobicContact CD2-CG2 3.92Å; V259-F261 HydrophobicContact CG1-CD2 4.15Å; V259-F261 HydrophobicContact CG1-CE2 3.86Å; V259-F261 HydrophobicContact CG1-CZ 4.12Å; V259-W287 HydrophobicContact CB-CZ3 4.31Å; V259-W287 HydrophobicContact CG2-CH2 3.87Å; V259-W287 HydrophobicContact CG2-CZ3 3.99Å; V259-V299 VanDerWaalsContact O-CA 3.31Å; V259-V299 WeakPolarHBondContact O-CA 3.4Å; V259-W300 PolarHBondContact N-O 3.2Å; V259-W300 PolarHBondContact O-N 3.36Å; V259-V320 HydrophobicContact CG2-CB 4.44Å; V259-V320 HydrophobicContact CG2-CG1 4.05Å; V259-V320 HydrophobicContact CG2-CG2 4.11Å
260S95.4Very high91Very high0 Ų040.6 Ų40.60%021%0.213CC..EExtended strand (participates in β ladder)trans-118.7144.116659.30000111.5L245 R246 C247 H298L245-S260 CarbonylContact C-O 3.19Å; R246-S260 PolarHBondContact N-O 3.14Å; C247-S260 WeakPolarHBondContact CA-OG 3.36Å; C247-S260 VanDerWaalsContact CB-OG 3.22Å; C247-S260 WeakPolarHBondContact CB-OG 3.31Å; C247-S260 PolarHBondContact N-OG 2.78Å; C247-S260 PolarHBondContact O-N 3.18Å; C247-S260 PolarHBondContact O-OG 3.02Å; S260-H298 CarbonylContact C-O 3.22Å; S260-H298 WeakPolarHBondContact CA-O 3.43Å
261F92.9Very high89.5Confident0 Ų045.5 Ų45.50%024%0.244CC..EExtended strand (participates in β ladder)trans-111.4159.8178.8-70.4-81.3000112.2A244 L245 V259 R263 L265 V267 L274 H298 W300 W322A244-F261 CarbonylContact O-C 3.1Å; A244-F261 VanDerWaalsContact O-CA 3.28Å; A244-F261 WeakPolarHBondContact O-CA 3.46Å; L245-F261 HydrophobicContact CD2-CD1 3.83Å; L245-F261 HydrophobicContact CD2-CE1 3.33Å; L245-F261 HydrophobicContact CD2-CZ 3.76Å; L245-F261 HydrophobicContact CG-CD1 4.49Å; L245-F261 HydrophobicContact CG-CE1 4.13Å; V259-F261 HydrophobicContact CG1-CD2 4.15Å; V259-F261 HydrophobicContact CG1-CE2 3.86Å; V259-F261 HydrophobicContact CG1-CZ 4.12Å; F261-R263 WeakPolarHBondContact CB-O 3.42Å; F261-R263 PolarHBondContact O-N 3.04Å; F261-L265 HydrophobicContact CB-CD1 4.18Å; F261-L265 HydrophobicContact CB-CG 4.37Å; F261-L265 HydrophobicContact CD1-CD1 3.39Å; F261-L265 HydrophobicContact CD1-CG 4.38Å; F261-L265 HydrophobicContact CD2-CB 4.48Å; F261-L265 HydrophobicContact CD2-CD1 4.28Å; F261-L265 HydrophobicContact CE1-CD1 3.61Å; F261-L265 HydrophobicContact CE2-CD1 4.47Å; F261-L265 HydrophobicContact CG-CD1 3.72Å; F261-L265 HydrophobicContact CG-CG 4.25Å; F261-L265 HydrophobicContact CZ-CD1 4.13Å; F261-V267 HydrophobicContact CE2-CG2 4.11Å; F261-V267 HydrophobicContact CZ-CG2 4.36Å; F261-L274 HydrophobicContact CE1-CD2 4.43Å; F261-L274 HydrophobicContact CE2-CD1 4.07Å; F261-L274 HydrophobicContact CZ-CD1 3.92Å; F261-L274 HydrophobicContact CZ-CD2 3.73Å; F261-L274 HydrophobicContact CZ-CG 4.05Å; F261-H298 PolarHBondContact N-O 2.92Å; F261-W300 AromaticContact CE2-CD1 3.83Å; F261-W300 HydrophobicContact CE2-CG 4.48Å; F261-W322 HydrophobicContact CE1-CB 4.36Å; F261-W322 HydrophobicContact CE1-CD2 4.14Å; F261-W322 HydrophobicContact CE1-CE3 4.4Å; F261-W322 HydrophobicContact CE1-CG 4.14Å; F261-W322 HydrophobicContact CZ-CD2 4.37Å; F261-W322 HydrophobicContact CZ-CE3 4.16Å; F261-W322 HydrophobicContact CZ-CZ3 4.49Å
262S87.7Confident88.9Confident16 Ų1648.2 Ų48.211%0.11226%0.256CS..EExtended strand (participates in β ladder)trans-64.6-24174.754.10000114.2Q242 A244Q242-S262 PolarHBondContact O-OG 2.77Å; A244-S262 PolarHBondContact N-OG 2.86Å; A244-S262 VanDerWaalsContact N-OG 3.09Å; A244-S262 PolarHBondContact O-N 2.81Å
263R88.8Confident88.6Confident101 Ų10149.9 Ų49.938%0.38127%0.267SS..EExtended strand (participates in β ladder)trans-145.8165.5178.767.2-178.7-176.493.8-1.7110.4D243 F261 L265D243-R263 IonicContact OD1-CZ 2.82Å; D243-R263 IonicContact OD1-NE 2.62Å; D243-R263 PolarHBondContact OD1-NE 2.66Å; D243-R263 IonicContact OD1-NH2 3.27Å; D243-R263 PolarHBondContact OD1-NH2 3.37Å; D243-R263 IonicContact OD2-NH2 3.05Å; D243-R263 PolarHBondContact OD2-NH2 2.94Å; F261-R263 WeakPolarHBondContact CB-O 3.42Å; F261-R263 PolarHBondContact O-N 3.04Å; R263-L265 HydrophobicContact CG-CD2 3.77Å; R263-L265 HydrophobicContact CG-CG 4.26Å; R263-L265 PolarHBondContact O-N 3.37Å
264P91.8Very high88.7Confident62 Ų6246 Ų4640%0.40325%0.246SC..EExtended strand (participates in β ladder)trans-65.9121.3174.8-1326.1000110.6P296 H298P264-P296 HydrophobicContact CB-CB 4.18Å; P264-H298 VanDerWaalsContact CD-NE2 3.31Å; P264-H298 WeakPolarHBondContact CD-NE2 3.41Å; P264-H298 VanDerWaalsContact CG-CE1 3.45Å; P264-H298 WeakPolarHBondContact CG-CE1 3.47Å
265L91.6Very high88.8Confident5 Ų547.1 Ų47.13%0.02625%0.254CS..EExtended strand (participates in β ladder)trans-120.4154.1178.1-62.3-175.6000111.4D243 F261 R263 P296 S297 W300 W322D243-L265 HydrophobicContact CB-CD1 4.42Å; F261-L265 HydrophobicContact CB-CD1 4.18Å; F261-L265 HydrophobicContact CB-CG 4.37Å; F261-L265 HydrophobicContact CD1-CD1 3.39Å; F261-L265 HydrophobicContact CD1-CG 4.38Å; F261-L265 HydrophobicContact CD2-CB 4.48Å; F261-L265 HydrophobicContact CD2-CD1 4.28Å; F261-L265 HydrophobicContact CE1-CD1 3.61Å; F261-L265 HydrophobicContact CE2-CD1 4.47Å; F261-L265 HydrophobicContact CG-CD1 3.72Å; F261-L265 HydrophobicContact CG-CG 4.25Å; F261-L265 HydrophobicContact CZ-CD1 4.13Å; R263-L265 HydrophobicContact CG-CD2 3.77Å; R263-L265 HydrophobicContact CG-CG 4.26Å; R263-L265 PolarHBondContact O-N 3.37Å; L265-P296 WeakPolarHBondContact O-CA 3.43Å; L265-S297 PolarHBondContact N-O 3.07Å; L265-S297 PolarHBondContact O-N 3.23Å; L265-W300 PolarHBondContact O-NE1 3.03Å; L265-W322 HydrophobicContact CD1-CH2 4.4Å; L265-W322 HydrophobicContact CD1-CZ2 3.81Å
266L92.5Very high88.8Confident69 Ų6945.8 Ų45.836%0.36124%0.242SC..  trans-101115170.9-175.666.5000108.9N294 W300L266-N294 WeakPolarHBondContact CD1-O 3.41Å; L266-W300 HydrophobicContact CD1-CH2 4.38Å; L266-W300 HydrophobicContact CD1-CZ2 4.35Å
267V90.9Very high88.8Confident15 Ų1547 Ų479%0.09125%0.247CC..THydrogen-bonded Turntrans-92.1133.4176.4178.70000109.1F261 L274 W287 W300 W322F261-V267 HydrophobicContact CE2-CG2 4.11Å; F261-V267 HydrophobicContact CZ-CG2 4.36Å; V267-L274 HydrophobicContact CG1-CB 3.97Å; V267-L274 HydrophobicContact CG1-CD1 4.02Å; V267-L274 HydrophobicContact CG1-CG 3.93Å; V267-L274 HydrophobicContact CG2-CD1 3.74Å; V267-L274 HydrophobicContact CG2-CG 4.03Å; V267-W287 HydrophobicContact CG1-CB 4Å; V267-W287 HydrophobicContact CG1-CG 4.17Å; V267-W300 HydrophobicContact CB-CD2 3.71Å; V267-W300 HydrophobicContact CB-CE3 3.76Å; V267-W300 HydrophobicContact CB-CG 4.35Å; V267-W300 HydrophobicContact CB-CH2 3.93Å; V267-W300 HydrophobicContact CB-CZ2 3.93Å; V267-W300 HydrophobicContact CB-CZ3 3.85Å; V267-W300 HydrophobicContact CG1-CE3 4.49Å; V267-W300 HydrophobicContact CG2-CB 4.46Å; V267-W300 HydrophobicContact CG2-CD2 3.52Å; V267-W300 HydrophobicContact CG2-CE3 4.09Å; V267-W300 HydrophobicContact CG2-CG 3.67Å; V267-W300 HydrophobicContact CG2-CZ2 4.13Å; V267-W322 HydrophobicContact CG2-CH2 4.49Å; V267-W322 HydrophobicContact CG2-CZ3 4.04Å
268G79.8Confident88.8Confident61 Ų6147.5 Ų47.563%0.62925%0.25SS*.THydrogen-bonded Turntrans101.515.7176.100000115.3E272G268-E272 PolarHBondContact N-O 2.78Å
269S71.1Confident88.6Confident36 Ų3649.8 Ų49.825%0.25226%0.262SS..BIsolated β-bridgetrans-76.7163.6165.192.10000109.9T271 E272S269-T271 PolarHBondContact O-N 3.35Å; S269-E272 PolarHBondContact O-N 2.84Å; S269-E272 VanDerWaalsContact O-N 3.16Å; S269-E272 VanDerWaalsContact OG-CB 3.25Å; S269-E272 WeakPolarHBondContact OG-CB 3.34Å; S269-E272 WeakPolarHBondContact OG-CG 3.37Å; S269-E272 PolarHBondContact OG-OE2 2.88Å
270R65.2Low88.4Confident254 Ų25455 Ų5596%0.95829%0.29SS*.THydrogen-bonded Turntrans-53.9-18.6-170.6-74.2-176.4179.7179.50.1115.2
271T66.1Low88.4Confident104 Ų10458.3 Ų58.364%0.63831%0.313SS*.THydrogen-bonded Turntrans-128.3-4.8-177.649.30000114S269 T323S269-T271 PolarHBondContact O-N 3.35Å; T271-T323 PolarHBondContact O-OG1 2.95Å; T271-T323 VanDerWaalsContact O-OG1 3.08Å
272E83.9Confident88.6Confident59 Ų5963.3 Ų63.328%0.27635%0.345SS..BIsolated β-bridgetrans-121.883.9-169.2-62176.8147.200109.5G268 S269 W322 A324G268-E272 PolarHBondContact N-O 2.78Å; S269-E272 PolarHBondContact O-N 2.84Å; S269-E272 VanDerWaalsContact O-N 3.16Å; S269-E272 VanDerWaalsContact OG-CB 3.25Å; S269-E272 WeakPolarHBondContact OG-CB 3.34Å; S269-E272 WeakPolarHBondContact OG-CG 3.37Å; S269-E272 PolarHBondContact OG-OE2 2.88Å; E272-W322 HydrophobicContact CB-CH2 3.45Å; E272-W322 VanDerWaalsContact CB-CH2 3.45Å; E272-W322 HydrophobicContact CB-CZ2 3.85Å; E272-W322 HydrophobicContact CB-CZ3 4.16Å; E272-W322 HydrophobicContact CG-CH2 4.32Å; E272-W322 HydrophobicContact CG-CZ2 4.25Å; E272-A324 HydrophobicContact CB-CB 4.46Å; E272-A324 HydrophobicContact CG-CB 3.92Å
273I89.8Confident89Confident73 Ų7364.4 Ų64.437%0.37435%0.35SS..  trans-123.5145.3-171.4-53.7175.3000109.5L275 T323I273-L275 HydrophobicContact CG2-CD2 4.17Å; I273-T323 HydrophobicContact CB-CG2 4.46Å; I273-T323 PolarHBondContact N-OG1 3.33Å; I273-T323 WeakPolarHBondContact O-CG2 3.28Å; I273-T323 PolarHBondContact O-N 2.83Å; I273-T323 VanDerWaalsContact O-N 3.13Å; I273-T323 PolarHBondContact O-OG1 2.74Å
274L94.6Very high89.3Confident5 Ų567.7 Ų67.73%0.02637%0.373CS..EExtended strand (participates in β ladder)trans-94.8117.6167.3-80.3177.9000109.9L245 F261 V267 W287 W300 V320 I321 W322L245-L274 HydrophobicContact CD2-CD2 4.21Å; F261-L274 HydrophobicContact CE1-CD2 4.43Å; F261-L274 HydrophobicContact CE2-CD1 4.07Å; F261-L274 HydrophobicContact CZ-CD1 3.92Å; F261-L274 HydrophobicContact CZ-CD2 3.73Å; F261-L274 HydrophobicContact CZ-CG 4.05Å; V267-L274 HydrophobicContact CG1-CB 3.97Å; V267-L274 HydrophobicContact CG1-CD1 4.02Å; V267-L274 HydrophobicContact CG1-CG 3.93Å; V267-L274 HydrophobicContact CG2-CD1 3.74Å; V267-L274 HydrophobicContact CG2-CG 4.03Å; L274-W287 HydrophobicContact CB-CD2 3.96Å; L274-W287 HydrophobicContact CB-CG 4.22Å; L274-W287 HydrophobicContact CB-CH2 4.44Å; L274-W287 HydrophobicContact CB-CZ2 3.68Å; L274-W287 VanDerWaalsContact CB-NE1 3.32Å; L274-W287 HydrophobicContact CD1-CD2 3.75Å; L274-W287 HydrophobicContact CD1-CE3 3.74Å; L274-W287 HydrophobicContact CD1-CG 4.37Å; L274-W287 HydrophobicContact CD1-CH2 3.93Å; L274-W287 HydrophobicContact CD1-CZ2 3.98Å; L274-W287 HydrophobicContact CD1-CZ3 3.83Å; L274-W287 HydrophobicContact CG-CZ2 4.4Å; L274-W287 PolarHBondContact O-NE1 2.88Å; L274-W300 HydrophobicContact CD1-CB 4.33Å; L274-V320 HydrophobicContact CD2-CG1 3.57Å; L274-I321 WeakPolarHBondContact CA-O 3.48Å; L274-W322 HydrophobicContact CD2-CB 4.27Å; L274-W322 HydrophobicContact CD2-CE3 3.9Å; L274-W322 HydrophobicContact CG-CE3 4.01Å; L274-W322 HydrophobicContact CG-CZ3 4.31Å
275L95.3Very high89.5Confident83 Ų8366.4 Ų66.444%0.43536%0.364SS..EExtended strand (participates in β ladder)trans-95.9138.3172.2-56.7177.8000109.4I273 V320 I321 T323I273-L275 HydrophobicContact CG2-CD2 4.17Å; L275-V320 WeakPolarHBondContact O-CA 3.49Å; L275-I321 HydrophobicContact CB-CB 4.33Å; L275-I321 PolarHBondContact N-O 2.8Å; L275-I321 PolarHBondContact O-N 2.66Å; L275-T323 HydrophobicContact CD1-CG2 3.86Å; L275-T323 HydrophobicContact CG-CG2 3.96Å
276L97.3Very high89.7Confident5 Ų573.7 Ų73.73%0.02640%0.398CS..EExtended strand (participates in β ladder)trans-115.9126176177.960.4000109.7L257 V278 L283 V285 W287 L304 F318 V320L257-L276 HydrophobicContact CD1-CD1 3.56Å; L257-L276 HydrophobicContact CD1-CD2 4.15Å; L276-V278 HydrophobicContact CD1-CG2 4.31Å; L276-V278 HydrophobicContact CD2-CG2 4.25Å; L276-V278 HydrophobicContact CG-CG2 4.05Å; L276-L283 HydrophobicContact CD2-CB 4.38Å; L276-L283 HydrophobicContact CD2-CD2 3.9Å; L276-L283 HydrophobicContact CD2-CG 4.46Å; L276-L283 HydrophobicContact CG-CB 4.34Å; L276-L283 PolarHBondContact O-N 2.83Å; L276-V285 HydrophobicContact CB-CG2 4.25Å; L276-V285 HydrophobicContact CD2-CG1 3.89Å; L276-V285 HydrophobicContact CD2-CG2 4.17Å; L276-W287 HydrophobicContact CB-CZ2 4.43Å; L276-L304 HydrophobicContact CD2-CD2 3.86Å; L276-F318 HydrophobicContact CD1-CD1 4.42Å; L276-V320 HydrophobicContact CD1-CG2 3.87Å
277M97.6Very high89.8Confident35 Ų3571.6 Ų71.617%0.17239%0.385CS..EExtended strand (participates in β ladder)trans-110.3129169-50.7-64.8-65.600108.2D280 S281 P282 F318 R319 I321M277-D280 VanDerWaalsContact CE-O 3.28Å; M277-D280 WeakPolarHBondContact CE-O 3.44Å; M277-S281 CarbonylContact C-O 3.54Å; M277-S281 WeakPolarHBondContact CA-O 3.39Å; M277-P282 HydrophobicContact CE-CB 4.17Å; M277-P282 HydrophobicContact SD-CB 3.88Å; M277-F318 WeakPolarHBondContact O-CA 3.2Å; M277-R319 HydrophobicContact CB-CB 4.24Å; M277-R319 PolarHBondContact N-O 3.39Å; M277-R319 PolarHBondContact O-N 2.88Å; M277-I321 HydrophobicContact CG-CD1 4.4Å
278V97.1Very high90.1Very high10 Ų1074.4 Ų74.46%0.06139%0.394CS..EExtended strand (participates in β ladder)trans-118.1123.1172.1-175.70000108.2L276 D280 S281 L283 T317 F318L276-V278 HydrophobicContact CD1-CG2 4.31Å; L276-V278 HydrophobicContact CD2-CG2 4.25Å; L276-V278 HydrophobicContact CG-CG2 4.05Å; V278-D280 VanDerWaalsContact C-N 3.26Å; V278-D280 PolarHBondContact O-N 2.88Å; V278-S281 PolarHBondContact N-O 3.47Å; V278-S281 WeakPolarHBondContact O-CB 3.32Å; V278-S281 PolarHBondContact O-N 3.24Å; V278-S281 VanDerWaalsContact O-O 3.12Å; V278-L283 HydrophobicContact CG2-CB 3.96Å; V278-L283 HydrophobicContact CG2-CD2 3.64Å; V278-L283 HydrophobicContact CG2-CG 4.44Å; V278-T317 CarbonylContact C-O 3.54Å; V278-T317 VanDerWaalsContact CA-O 3.27Å; V278-T317 WeakPolarHBondContact CA-O 3.39Å; V278-F318 HydrophobicContact CG1-CD1 4.33Å; V278-F318 HydrophobicContact CG1-CE1 4Å; V278-F318 HydrophobicContact CG1-CZ 4.33Å; V278-F318 HydrophobicContact CG2-CD1 3.67Å; V278-F318 HydrophobicContact CG2-CE1 3.78Å
279D95.1Very high90.8Very high52 Ų5271.6 Ų71.628%0.27837%0.365SS..THydrogen-bonded Turntrans49.848.5-175.2-56-40000112S281 H316 T317D279-S281 PolarHBondContact O-N 3.47Å; D279-H316 VanDerWaalsContact OD1-CA 3.24Å; D279-H316 WeakPolarHBondContact OD1-CA 3.17Å; D279-H316 IonicContact OD1-ND1 3.22Å; D279-H316 IonicContact OD2-CE1 3.26Å; D279-H316 IonicContact OD2-CG 3.37Å; D279-H316 IonicContact OD2-ND1 2.9Å; D279-H316 PolarHBondContact OD2-ND1 3.3Å; D279-T317 PolarHBondContact N-O 3.11Å; D279-T317 PolarHBondContact OD1-N 2.89Å
280D92.7Very high91.8Very high109 Ų10970.9 Ų70.958%0.58336%0.359SS*.THydrogen-bonded Turntrans57.310.2-175.4-69.3-55000116M277 V278 R319M277-D280 VanDerWaalsContact CE-O 3.28Å; M277-D280 WeakPolarHBondContact CE-O 3.44Å; V278-D280 VanDerWaalsContact C-N 3.26Å; V278-D280 PolarHBondContact O-N 2.88Å; D280-R319 IonicContact OD1-CZ 3.49Å; D280-R319 IonicContact OD1-NH1 2.74Å; D280-R319 PolarHBondContact OD1-NH1 3.07Å; D280-R319 IonicContact OD1-NH2 3.39Å
281S95.4Very high92.9Very high70 Ų7061 Ų6149%0.4933%0.326SS..EExtended strand (participates in β ladder)trans-105.7137.6175.1-60.80000110.9M277 V278 D279 L283M277-S281 CarbonylContact C-O 3.54Å; M277-S281 WeakPolarHBondContact CA-O 3.39Å; V278-S281 PolarHBondContact N-O 3.47Å; V278-S281 WeakPolarHBondContact O-CB 3.32Å; V278-S281 PolarHBondContact O-N 3.24Å; V278-S281 VanDerWaalsContact O-O 3.12Å; D279-S281 PolarHBondContact O-N 3.47Å; S281-L283 PolarHBondContact O-N 2.85Å
282P96.6Very high94.1Very high105 Ų10558.3 Ų58.368%0.68232%0.319SS*.EExtended strand (participates in β ladder)trans-67.6131-179.827.7-33.4000110.7M277M277-P282 HydrophobicContact CE-CB 4.17Å; M277-P282 HydrophobicContact SD-CB 3.88Å
283L96.8Very high94.5Very high40 Ų4064.2 Ų64.221%0.20934%0.338CS..EExtended strand (participates in β ladder)trans-113.7116.1174.2-176.665.3000109.5L276 V278 S281 V285 L304 P305L276-L283 HydrophobicContact CD2-CB 4.38Å; L276-L283 HydrophobicContact CD2-CD2 3.9Å; L276-L283 HydrophobicContact CD2-CG 4.46Å; L276-L283 HydrophobicContact CG-CB 4.34Å; L276-L283 PolarHBondContact O-N 2.83Å; V278-L283 HydrophobicContact CG2-CB 3.96Å; V278-L283 HydrophobicContact CG2-CD2 3.64Å; V278-L283 HydrophobicContact CG2-CG 4.44Å; S281-L283 PolarHBondContact O-N 2.85Å; L283-V285 HydrophobicContact CD2-CG1 3.95Å; L283-V285 HydrophobicContact CG-CG1 3.84Å; L283-V285 PolarHBondContact O-N 3.48Å; L283-L304 HydrophobicContact CD2-CD2 4.05Å; L283-P305 HydrophobicContact CD1-CG 4.11Å; L283-P305 HydrophobicContact CD2-CG 4.24Å
284I95.2Very high94.6Very high170 Ų17063.6 Ų63.687%0.87234%0.336SS*.  trans-77.5121.8176.5-58.9174.5000108.4
285V95.4Very high94.5Very high34 Ų3469.1 Ų69.121%0.20636%0.356CS..  trans-136.4156.4-179.1-630000110.8L276 L283 W287 C302L276-V285 HydrophobicContact CB-CG2 4.25Å; L276-V285 HydrophobicContact CD2-CG1 3.89Å; L276-V285 HydrophobicContact CD2-CG2 4.17Å; L283-V285 HydrophobicContact CD2-CG1 3.95Å; L283-V285 HydrophobicContact CG-CG1 3.84Å; L283-V285 PolarHBondContact O-N 3.48Å; V285-W287 HydrophobicContact CG2-CZ2 4.36Å; V285-C302 HydrophobicContact CB-CB 3.85Å; V285-C302 HydrophobicContact CG2-CB 3.85Å
286E95Very high94.4Very high158 Ų15869.3 Ų69.374%0.73836%0.362SS*.  trans-96120169.7-170.9177.6174.300109.7C302E286-C302 WeakPolarHBondContact O-CB 3.26Å
287W96.1Very high94.2Very high25 Ų2570.3 Ų70.310%0.09537%0.37CS..  trans-87.3137.7176-67.895.7000110.7L257 V259 V267 L274 L276 V285 W300 L301 C302 V320L257-W287 HydrophobicContact CD2-CH2 3.37Å; L257-W287 HydrophobicContact CD2-CZ2 4.44Å; L257-W287 HydrophobicContact CD2-CZ3 3.74Å; V259-W287 HydrophobicContact CB-CZ3 4.31Å; V259-W287 HydrophobicContact CG2-CH2 3.87Å; V259-W287 HydrophobicContact CG2-CZ3 3.99Å; V267-W287 HydrophobicContact CG1-CB 4Å; V267-W287 HydrophobicContact CG1-CG 4.17Å; L274-W287 HydrophobicContact CB-CD2 3.96Å; L274-W287 HydrophobicContact CB-CG 4.22Å; L274-W287 HydrophobicContact CB-CH2 4.44Å; L274-W287 HydrophobicContact CB-CZ2 3.68Å; L274-W287 VanDerWaalsContact CB-NE1 3.32Å; L274-W287 HydrophobicContact CD1-CD2 3.75Å; L274-W287 HydrophobicContact CD1-CE3 3.74Å; L274-W287 HydrophobicContact CD1-CG 4.37Å; L274-W287 HydrophobicContact CD1-CH2 3.93Å; L274-W287 HydrophobicContact CD1-CZ2 3.98Å; L274-W287 HydrophobicContact CD1-CZ3 3.83Å; L274-W287 HydrophobicContact CG-CZ2 4.4Å; L274-W287 PolarHBondContact O-NE1 2.88Å; L276-W287 HydrophobicContact CB-CZ2 4.43Å; V285-W287 HydrophobicContact CG2-CZ2 4.36Å; W287-W300 HydrophobicContact CB-CE3 4.08Å; W287-W300 HydrophobicContact CE3-CB 4.12Å; W287-L301 WeakPolarHBondContact CA-O 3.36Å; W287-C302 HydrophobicContact CD2-CB 4.19Å; W287-C302 HydrophobicContact CE3-CB 4.11Å; W287-C302 HydrophobicContact CZ3-CB 4.47Å; W287-V320 HydrophobicContact CH2-CG1 4.35Å; W287-V320 HydrophobicContact CH2-CG2 4.24Å; W287-V320 HydrophobicContact CZ2-CG1 4.44Å
288R95.4Very high94.1Very high75 Ų7571 Ų7128%0.28337%0.373SS..BIsolated β-bridgetrans-140.6157175.466.5-177.5-177.9-832.4112.8N294 W300 L301 D303R288-N294 WeakPolarHBondContact CA-OD1 3.14Å; R288-N294 WeakPolarHBondContact CB-OD1 3.46Å; R288-W300 VanDerWaalsContact C-CE3 3.47Å; R288-W300 WeakPolarHBondContact O-CA 3.08Å; R288-L301 HydrophobicContact CG-CD1 4.34Å; R288-L301 HydrophobicContact CG-CG 4.11Å; R288-L301 PolarHBondContact N-O 3.2Å; R288-L301 PolarHBondContact O-N 2.92Å; R288-D303 IonicContact CZ-OD1 3.97Å; R288-D303 IonicContact CZ-OD2 3.77Å; R288-D303 VanDerWaalsContact NH1-CG 3.27Å; R288-D303 IonicContact NH1-OD1 3.57Å; R288-D303 PolarHBondContact NH1-OD1 3.2Å; R288-D303 IonicContact NH1-OD2 2.89Å; R288-D303 PolarHBondContact NH1-OD2 3.49Å; R288-D303 IonicContact NH2-OD1 3.19Å; R288-D303 PolarHBondContact NH2-OD1 2.87Å; R288-D303 IonicContact NH2-OD2 2.83Å; R288-D303 PolarHBondContact NH2-OD2 3.17Å
289T94.9Very high94Very high1 Ų170.8 Ų70.81%0.00637%0.371CS..  trans-75.5157.9166.453.70000110.7D291 G292 R293 N294 W300T289-D291 WeakPolarHBondContact CB-OD1 3.23Å; T289-D291 PolarHBondContact O-N 3.17Å; T289-D291 VanDerWaalsContact O-N 3.12Å; T289-D291 PolarHBondContact OG1-OD1 3.29Å; T289-G292 PolarHBondContact O-N 3.16Å; T289-R293 PolarHBondContact OG1-N 2.87Å; T289-N294 PolarHBondContact N-OD1 2.9Å; T289-N294 PolarHBondContact OG1-N 2.83Å; T289-W300 HydrophobicContact CG2-CD2 4.05Å; T289-W300 HydrophobicContact CG2-CE3 4.17Å; T289-W300 HydrophobicContact CG2-CH2 3.91Å; T289-W300 HydrophobicContact CG2-CZ2 3.73Å; T289-W300 HydrophobicContact CG2-CZ3 4.12Å
290P92.1Very high94Very high21 Ų2168.3 Ų68.314%0.13636%0.358CS..THydrogen-bonded Turntrans-54-30.7176.8-29.436.1000114.8V299 L301 A483 N506P290-V299 WeakPolarHBondContact CD-O 3.45Å; P290-V299 HydrophobicContact CG-CB 4.43Å; P290-V299 HydrophobicContact CG-CG1 4.06Å; P290-L301 HydrophobicContact CB-CD2 4.27Å; P290-L301 HydrophobicContact CG-CD2 3.79Å; P290-A483 HydrophobicContact CB-CB 4.16Å; P290-A483 HydrophobicContact CG-CB 4.45Å; P290-N506 HydrophobicContact CB-CB 4.42Å; P290-N506 WeakPolarHBondContact O-CB 3.5Å; P290-N506 PolarHBondContact O-ND2 3.2Å
291D89.7Confident94.2Very high47 Ų4763.3 Ų63.325%0.25133%0.331SS..THydrogen-bonded Turntrans-89.2-0.4177.167.2-2.1000114T289 R293 R295T289-D291 WeakPolarHBondContact CB-OD1 3.23Å; T289-D291 PolarHBondContact O-N 3.17Å; T289-D291 VanDerWaalsContact O-N 3.12Å; T289-D291 PolarHBondContact OG1-OD1 3.29Å; D291-R293 HydrophobicContact CB-CG 4.43Å; D291-R293 PolarHBondContact O-N 3Å; D291-R293 VanDerWaalsContact O-N 3.14Å; D291-R293 PolarHBondContact OD1-N 2.6Å; D291-R293 VanDerWaalsContact OD1-N 3.12Å; D291-R295 IonicContact OD2-CZ 3.73Å; D291-R295 IonicContact OD2-NE 2.61Å; D291-R295 PolarHBondContact OD2-NE 2.92Å; D291-R295 IonicContact OD2-NH2 3.1Å; D291-R295 PolarHBondContact OD2-NH2 2.91Å
292G91Very high94.3Very high48 Ų4860 Ų6050%0.49531%0.308SS..SBendtrans67.73.3-178.700000115.5T289T289-G292 PolarHBondContact O-N 3.16Å
293R91.3Very high94.4Very high182 Ų18259.2 Ų59.269%0.68730%0.298SS*.SBendtrans-83.7-16.7-176-62.2-175.2-176.4-173.13113.6T289 D291 R295T289-R293 PolarHBondContact OG1-N 2.87Å; D291-R293 HydrophobicContact CB-CG 4.43Å; D291-R293 PolarHBondContact O-N 3Å; D291-R293 VanDerWaalsContact O-N 3.14Å; D291-R293 PolarHBondContact OD1-N 2.6Å; D291-R293 VanDerWaalsContact OD1-N 3.12Å; R293-R295 VanDerWaalsContact C-N 3.31Å; R293-R295 PolarHBondContact O-N 2.86Å
294N92.5Very high94.4Very high60 Ų6057.8 Ų57.832%0.32129%0.29SS..  trans53.845.1178.3-61-13.4000113.4L266 R288 T289 W300L266-N294 WeakPolarHBondContact CD1-O 3.41Å; R288-N294 WeakPolarHBondContact CA-OD1 3.14Å; R288-N294 WeakPolarHBondContact CB-OD1 3.46Å; T289-N294 PolarHBondContact N-OD1 2.9Å; T289-N294 PolarHBondContact OG1-N 2.83Å; N294-W300 HydrophobicContact CB-CH2 3.92Å; N294-W300 HydrophobicContact CB-CZ3 4.16Å
295R92.2Very high94.5Very high122 Ų12252.5 Ų52.546%0.4627%0.267SS..  trans-93.6167.2170.861179.2164.9166.60.4110.7D291 R293 S297D291-R295 IonicContact OD2-CZ 3.73Å; D291-R295 IonicContact OD2-NE 2.61Å; D291-R295 PolarHBondContact OD2-NE 2.92Å; D291-R295 IonicContact OD2-NH2 3.1Å; D291-R295 PolarHBondContact OD2-NH2 2.91Å; R293-R295 VanDerWaalsContact C-N 3.31Å; R293-R295 PolarHBondContact O-N 2.86Å; R295-S297 PolarHBondContact O-N 2.87Å; R295-S297 VanDerWaalsContact O-N 3.1Å
296P93.4Very high94.3Very high86 Ų8654.9 Ų54.956%0.55829%0.29SS*.SBendtrans-49.8122.1175-28.736.1000111.6P264 L265P264-P296 HydrophobicContact CB-CB 4.18Å; L265-P296 WeakPolarHBondContact O-CA 3.43Å
297S93.6Very high94.2Very high26 Ų2650.6 Ų50.618%0.18228%0.282CS..EExtended strand (participates in β ladder)trans-146.1146.3-171.1178.70000110L265 R295 V299 W300L265-S297 PolarHBondContact N-O 3.07Å; L265-S297 PolarHBondContact O-N 3.23Å; R295-S297 PolarHBondContact O-N 2.87Å; R295-S297 VanDerWaalsContact O-N 3.1Å; S297-V299 PolarHBondContact OG-N 3.27Å; S297-V299 PolarHBondContact OG-O 3.29Å; S297-W300 PolarHBondContact O-NE1 3.29Å
298H93.9Very high94Very high51 Ų5150 Ų5024%0.23628%0.282CS..EExtended strand (participates in β ladder)trans-70.6-27.2169.1-65.896.1000111.4S260 F261 P264 E460S260-H298 CarbonylContact C-O 3.22Å; S260-H298 WeakPolarHBondContact CA-O 3.43Å; F261-H298 PolarHBondContact N-O 2.92Å; P264-H298 VanDerWaalsContact CD-NE2 3.31Å; P264-H298 WeakPolarHBondContact CD-NE2 3.41Å; P264-H298 VanDerWaalsContact CG-CE1 3.45Å; P264-H298 WeakPolarHBondContact CG-CE1 3.47Å; H298-E460 HydrophobicContact CB-CB 3.71Å; H298-E460 HydrophobicContact CB-CG 4.47Å
299V95.4Very high93.9Very high4 Ų447.1 Ų47.12%0.02427%0.272CS..EExtended strand (participates in β ladder)trans-120.3132.3-171.1177.80000111.2T258 V259 P290 S297 A484T258-V299 HydrophobicContact CG2-CG1 3.49Å; T258-V299 VanDerWaalsContact CG2-CG1 3.49Å; V259-V299 VanDerWaalsContact O-CA 3.31Å; V259-V299 WeakPolarHBondContact O-CA 3.4Å; P290-V299 WeakPolarHBondContact CD-O 3.45Å; P290-V299 HydrophobicContact CG-CB 4.43Å; P290-V299 HydrophobicContact CG-CG1 4.06Å; S297-V299 PolarHBondContact OG-N 3.27Å; S297-V299 PolarHBondContact OG-O 3.29Å; V299-A484 HydrophobicContact CG2-CB 3.56Å
300W96.4Very high93.6Very high1 Ų148.7 Ų48.70%0.00428%0.28CS..EExtended strand (participates in β ladder)trans-133.8148.1177.1-72.183.7000109.4T258 V259 F261 L265 L266 V267 L274 W287 R288 T289 N294 S297T258-W300 WeakPolarHBondContact CA-O 3.24Å; V259-W300 PolarHBondContact N-O 3.2Å; V259-W300 PolarHBondContact O-N 3.36Å; F261-W300 AromaticContact CE2-CD1 3.83Å; F261-W300 HydrophobicContact CE2-CG 4.48Å; L265-W300 PolarHBondContact O-NE1 3.03Å; L266-W300 HydrophobicContact CD1-CH2 4.38Å; L266-W300 HydrophobicContact CD1-CZ2 4.35Å; V267-W300 HydrophobicContact CB-CD2 3.71Å; V267-W300 HydrophobicContact CB-CE3 3.76Å; V267-W300 HydrophobicContact CB-CG 4.35Å; V267-W300 HydrophobicContact CB-CH2 3.93Å; V267-W300 HydrophobicContact CB-CZ2 3.93Å; V267-W300 HydrophobicContact CB-CZ3 3.85Å; V267-W300 HydrophobicContact CG1-CE3 4.49Å; V267-W300 HydrophobicContact CG2-CB 4.46Å; V267-W300 HydrophobicContact CG2-CD2 3.52Å; V267-W300 HydrophobicContact CG2-CE3 4.09Å; V267-W300 HydrophobicContact CG2-CG 3.67Å; V267-W300 HydrophobicContact CG2-CZ2 4.13Å; L274-W300 HydrophobicContact CD1-CB 4.33Å; W287-W300 HydrophobicContact CB-CE3 4.08Å; W287-W300 HydrophobicContact CE3-CB 4.12Å; R288-W300 VanDerWaalsContact C-CE3 3.47Å; R288-W300 WeakPolarHBondContact O-CA 3.08Å; T289-W300 HydrophobicContact CG2-CD2 4.05Å; T289-W300 HydrophobicContact CG2-CE3 4.17Å; T289-W300 HydrophobicContact CG2-CH2 3.91Å; T289-W300 HydrophobicContact CG2-CZ2 3.73Å; T289-W300 HydrophobicContact CG2-CZ3 4.12Å; N294-W300 HydrophobicContact CB-CH2 3.92Å; N294-W300 HydrophobicContact CB-CZ3 4.16Å; S297-W300 PolarHBondContact O-NE1 3.29Å
301L96.9Very high93.4Very high3 Ų351.1 Ų51.12%0.01629%0.292CS..EExtended strand (participates in β ladder)trans-143160.9-179.961.4132.2000112L257 W287 R288 P290L257-L301 CarbonylContact O-C 3.44Å; L257-L301 WeakPolarHBondContact O-CA 3.46Å; L257-L301 VanDerWaalsContact O-CB 3.32Å; L257-L301 WeakPolarHBondContact O-CB 3.4Å; W287-L301 WeakPolarHBondContact CA-O 3.36Å; R288-L301 HydrophobicContact CG-CD1 4.34Å; R288-L301 HydrophobicContact CG-CG 4.11Å; R288-L301 PolarHBondContact N-O 3.2Å; R288-L301 PolarHBondContact O-N 2.92Å; P290-L301 HydrophobicContact CB-CD2 4.27Å; P290-L301 HydrophobicContact CG-CD2 3.79Å
302C97.4Very high93.3Very high0 Ų057 Ų570%032%0.318CS..EExtended strand (participates in β ladder)trans-140.9158.6171.864.40000110.8C256 L257 V285 E286 W287C256-C302 WeakPolarHBondContact CA-O 3.24Å; C256-C302 PolarHBondContact SG-O 3.03Å; L257-C302 PolarHBondContact N-O 2.88Å; L257-C302 PolarHBondContact O-N 3.39Å; V285-C302 HydrophobicContact CB-CB 3.85Å; V285-C302 HydrophobicContact CG2-CB 3.85Å; E286-C302 WeakPolarHBondContact O-CB 3.26Å; W287-C302 HydrophobicContact CD2-CB 4.19Å; W287-C302 HydrophobicContact CE3-CB 4.11Å; W287-C302 HydrophobicContact CZ3-CB 4.47Å
303D97.6Very high93.2Very high89 Ų8958.5 Ų58.548%0.47631%0.314SS..EExtended strand (participates in β ladder)trans-85.8141173.9-56-45.4000109.7R288R288-D303 IonicContact CZ-OD1 3.97Å; R288-D303 IonicContact CZ-OD2 3.77Å; R288-D303 VanDerWaalsContact NH1-CG 3.27Å; R288-D303 IonicContact NH1-OD1 3.57Å; R288-D303 PolarHBondContact NH1-OD1 3.2Å; R288-D303 IonicContact NH1-OD2 2.89Å; R288-D303 PolarHBondContact NH1-OD2 3.49Å; R288-D303 IonicContact NH2-OD1 3.19Å; R288-D303 PolarHBondContact NH2-OD1 2.87Å; R288-D303 IonicContact NH2-OD2 2.83Å; R288-D303 PolarHBondContact NH2-OD2 3.17Å
304L97.3Very high93.3Very high10 Ų1054.3 Ų54.35%0.05231%0.311CS..  trans-105.4135.4178.8-66.6177.7000110.1V250 A255 L257 L276 L283 L309 F318V250-L304 HydrophobicContact CG1-CD1 3.64Å; A255-L304 PolarHBondContact O-N 3.27Å; L257-L304 HydrophobicContact CB-CD1 3.99Å; L257-L304 HydrophobicContact CB-CD2 4.14Å; L257-L304 HydrophobicContact CB-CG 4.07Å; L276-L304 HydrophobicContact CD2-CD2 3.86Å; L283-L304 HydrophobicContact CD2-CD2 4.05Å; L304-L309 HydrophobicContact CB-CD1 3.9Å; L304-L309 HydrophobicContact CB-CG 4.23Å; L304-L309 HydrophobicContact CD1-CD1 4.32Å; L304-L309 HydrophobicContact CD1-CD2 3.86Å; L304-L309 HydrophobicContact CD1-CG 4.28Å; L304-F318 HydrophobicContact CD1-CD1 4.33Å; L304-F318 HydrophobicContact CD1-CE1 3.57Å; L304-F318 HydrophobicContact CD1-CZ 4.02Å; L304-F318 HydrophobicContact CD2-CD1 4.42Å; L304-F318 HydrophobicContact CD2-CE1 3.95Å; L304-F318 HydrophobicContact CG-CE1 4.4Å
305P96Very high93.4Very high60 Ų6055.6 Ų55.639%0.3932%0.315SS..  trans-68.6147.6173.830.1-33.1000110.1L283 A307 S308L283-P305 HydrophobicContact CD1-CG 4.11Å; L283-P305 HydrophobicContact CD2-CG 4.24Å; P305-A307 PolarHBondContact O-N 3.44Å; P305-S308 WeakPolarHBondContact CG-OG 3.03Å; P305-S308 WeakPolarHBondContact O-CB 3.29Å; P305-S308 PolarHBondContact O-N 2.83Å
306A92.9Very high93.6Very high83 Ų8350 Ų5069%0.68629%0.294SS*.G310 helixtrans-55.7-27.6179.400000113.4S308 L309 N310A306-S308 VanDerWaalsContact C-N 3.26Å; A306-S308 PolarHBondContact O-N 3.27Å; A306-L309 CarbonylContact O-C 3.02Å; A306-L309 PolarHBondContact O-N 3.47Å; A306-L309 VanDerWaalsContact O-N 3.12Å; A306-N310 PolarHBondContact O-N 3.27Å
307A91.8Very high93.8Very high69 Ų6946.8 Ų46.857%0.5727%0.273SS*.G310 helixtrans-63.4-28.8174.900000113.3P305 L309 N310P305-A307 PolarHBondContact O-N 3.44Å; A307-L309 VanDerWaalsContact C-N 3.27Å; A307-N310 PolarHBondContact O-ND2 3.44Å
308S92.6Very high94.1Very high12 Ų1245.6 Ų45.68%0.08426%0.264CS..G310 helixtrans-83.5-3.5176.1-61.20000113.2P305 A306 H316 F318P305-S308 WeakPolarHBondContact CG-OG 3.03Å; P305-S308 WeakPolarHBondContact O-CB 3.29Å; P305-S308 PolarHBondContact O-N 2.83Å; A306-S308 VanDerWaalsContact C-N 3.26Å; A306-S308 PolarHBondContact O-N 3.27Å; S308-H316 PolarHBondContact O-CD2 2.89Å; S308-F318 WeakPolarHBondContact O-CZ 3.36Å
309L92.8Very high94.3Very high15 Ų1545.9 Ų45.98%0.07926%0.263CS..G310 helixtrans-129.423.6-175.3-63.1173.5000111V250 R252 A255 L304 A306 A307 F318 L333V250-L309 HydrophobicContact CG1-CD2 3.96Å; R252-L309 HydrophobicContact CG-CB 4.43Å; R252-L309 PolarHBondContact NH1-O 2.99Å; A255-L309 HydrophobicContact CB-CD1 3.8Å; L304-L309 HydrophobicContact CB-CD1 3.9Å; L304-L309 HydrophobicContact CB-CG 4.23Å; L304-L309 HydrophobicContact CD1-CD1 4.32Å; L304-L309 HydrophobicContact CD1-CD2 3.86Å; L304-L309 HydrophobicContact CD1-CG 4.28Å; A306-L309 CarbonylContact O-C 3.02Å; A306-L309 PolarHBondContact O-N 3.47Å; A306-L309 VanDerWaalsContact O-N 3.12Å; A307-L309 VanDerWaalsContact C-N 3.27Å; L309-F318 HydrophobicContact CD2-CZ 4.02Å; L309-L333 HydrophobicContact CD2-CD2 3.47Å; L309-L333 VanDerWaalsContact CD2-CD2 3.47Å
310N89.1Confident94.3Very high34 Ų3445.7 Ų45.718%0.18226%0.262CS..  trans-85.8172.3-177.576.650.7000110.4R252 A306 A307 Q312 H316R252-N310 PolarHBondContact NH1-O 3.45Å; A306-N310 PolarHBondContact O-N 3.27Å; A307-N310 PolarHBondContact O-ND2 3.44Å; N310-Q312 HydrophobicContact CB-CG 4.37Å; N310-Q312 WeakPolarHBondContact OD1-CA 3.47Å; N310-Q312 WeakPolarHBondContact OD1-CB 3.43Å; N310-Q312 VanDerWaalsContact OD1-CG 3.27Å; N310-Q312 WeakPolarHBondContact OD1-CG 3.32Å; N310-Q312 PolarHBondContact OD1-N 3.01Å; N310-H316 PolarHBondContact N-NE2 3.44Å; N310-H316 PolarHBondContact O-CD2 3.16Å; N310-H316 PolarHBondContact O-NE2 3.45Å
311D87.7Confident94.3Very high71 Ų7147.3 Ų47.338%0.3827%0.271SS..SBendtrans-108.619.1177.6-73.8-22.3000112.4R252 K335R252-D311 IonicContact CZ-OD1 3.9Å; R252-D311 IonicContact NH1-OD1 2.77Å; R252-D311 PolarHBondContact NH1-OD1 3.25Å; R252-D311 IonicContact NH2-OD1 2.73Å; R252-D311 PolarHBondContact NH2-OD1 3.41Å; D311-K335 HydrophobicContact CB-CD 4.2Å; D311-K335 HydrophobicContact CB-CG 4.11Å; D311-K335 PolarHBondContact O-NZ 2.89Å
312Q88Confident94.2Very high170 Ų17047.2 Ų47.279%0.79427%0.27SS*.SBendtrans-69.8-37.9175.3-56.7174.52.600110.3N310N310-Q312 HydrophobicContact CB-CG 4.37Å; N310-Q312 WeakPolarHBondContact OD1-CA 3.47Å; N310-Q312 WeakPolarHBondContact OD1-CB 3.43Å; N310-Q312 VanDerWaalsContact OD1-CG 3.27Å; N310-Q312 WeakPolarHBondContact OD1-CG 3.32Å; N310-Q312 PolarHBondContact OD1-N 3.01Å
313L88.7Confident93.9Very high80 Ų8050 Ų5042%0.41929%0.287SS..SBendtrans-93.1152.9171.2-65177.5000110.7Q315L313-Q315 WeakPolarHBondContact CB-O 3.31Å; L313-Q315 PolarHBondContact O-N 2.94Å
314P93.1Very high93.3Very high95 Ų9548.2 Ų48.262%0.61729%0.285SS*.SBendtrans-68.4-23.1175.328.3-34.5000112.6K335P314-K335 VanDerWaalsContact O-CB 3.24Å; P314-K335 WeakPolarHBondContact O-CB 3.5Å; P314-K335 PolarHBondContact O-N 3.39Å
315Q95.3Very high92.3Very high87 Ų8749.5 Ų49.541%0.40730%0.3SS..EExtended strand (participates in β ladder)trans-155.5158.817769.1-176.738.800110.2L313 V332 L333 L334L313-Q315 WeakPolarHBondContact CB-O 3.31Å; L313-Q315 PolarHBondContact O-N 2.94Å; Q315-V332 HydrophobicContact CB-CG1 3.74Å; Q315-V332 HydrophobicContact CG-CG1 4.13Å; Q315-L333 CarbonylContact C-O 3.26Å; Q315-L333 VanDerWaalsContact CA-O 3.29Å; Q315-L333 WeakPolarHBondContact CA-O 3.18Å; Q315-L334 HydrophobicContact CB-CD2 3.87Å
316H96.8Very high91.7Very high3 Ų353.5 Ų53.51%0.01432%0.319CS..EExtended strand (participates in β ladder)trans-119.1132.8165.4-71-69.6000109.6D279 S308 N310 F318 V332 L333D279-H316 VanDerWaalsContact OD1-CA 3.24Å; D279-H316 WeakPolarHBondContact OD1-CA 3.17Å; D279-H316 IonicContact OD1-ND1 3.22Å; D279-H316 IonicContact OD2-CE1 3.26Å; D279-H316 IonicContact OD2-CG 3.37Å; D279-H316 IonicContact OD2-ND1 2.9Å; D279-H316 PolarHBondContact OD2-ND1 3.3Å; S308-H316 PolarHBondContact O-CD2 2.89Å; N310-H316 PolarHBondContact N-NE2 3.44Å; N310-H316 PolarHBondContact O-CD2 3.16Å; N310-H316 PolarHBondContact O-NE2 3.45Å; H316-F318 HydrophobicContact CB-CD2 4.5Å; H316-F318 HydrophobicContact CB-CE2 3.67Å; H316-F318 HydrophobicContact CB-CZ 4.1Å; H316-V332 WeakPolarHBondContact O-CA 3.46Å; H316-L333 PolarHBondContact N-O 2.96Å; H316-L333 PolarHBondContact O-N 3.01Å
317T97.6Very high91.5Very high20 Ų2051.6 Ų51.612%0.12330%0.299CS..EExtended strand (participates in β ladder)trans-99131.7175.8-59.60000109.8V278 D279 E330V278-T317 CarbonylContact C-O 3.54Å; V278-T317 VanDerWaalsContact CA-O 3.27Å; V278-T317 WeakPolarHBondContact CA-O 3.39Å; D279-T317 PolarHBondContact N-O 3.11Å; D279-T317 PolarHBondContact OD1-N 2.89Å; T317-E330 HydrophobicContact CG2-CG 3.48Å; T317-E330 VanDerWaalsContact CG2-CG 3.48Å; T317-E330 WeakPolarHBondContact CG2-OE1 3.29Å
318F98.2Very high91.6Very high0 Ų054 Ų540%030%0.298CS..EExtended strand (participates in β ladder)trans-119113177.2-63.1-95.8000109.3L248 V250 L257 L276 M277 V278 L304 S308 L309 H316 E330 C331 L333L248-F318 HydrophobicContact CD2-CB 4.46Å; L248-F318 WeakPolarHBondContact CD2-O 3.27Å; V250-F318 HydrophobicContact CG1-CD2 4.47Å; V250-F318 HydrophobicContact CG1-CE1 4.45Å; V250-F318 HydrophobicContact CG1-CE2 4.05Å; V250-F318 HydrophobicContact CG1-CZ 4.03Å; V250-F318 HydrophobicContact CG2-CB 4.2Å; V250-F318 HydrophobicContact CG2-CD1 4.14Å; V250-F318 HydrophobicContact CG2-CD2 3.89Å; V250-F318 HydrophobicContact CG2-CE2 4.29Å; V250-F318 HydrophobicContact CG2-CG 3.81Å; L257-F318 HydrophobicContact CD1-CB 4.07Å; L257-F318 HydrophobicContact CD1-CD1 3.79Å; L257-F318 HydrophobicContact CD1-CG 4.23Å; L276-F318 HydrophobicContact CD1-CD1 4.42Å; M277-F318 WeakPolarHBondContact O-CA 3.2Å; V278-F318 HydrophobicContact CG1-CD1 4.33Å; V278-F318 HydrophobicContact CG1-CE1 4Å; V278-F318 HydrophobicContact CG1-CZ 4.33Å; V278-F318 HydrophobicContact CG2-CD1 3.67Å; V278-F318 HydrophobicContact CG2-CE1 3.78Å; L304-F318 HydrophobicContact CD1-CD1 4.33Å; L304-F318 HydrophobicContact CD1-CE1 3.57Å; L304-F318 HydrophobicContact CD1-CZ 4.02Å; L304-F318 HydrophobicContact CD2-CD1 4.42Å; L304-F318 HydrophobicContact CD2-CE1 3.95Å; L304-F318 HydrophobicContact CG-CE1 4.4Å; S308-F318 WeakPolarHBondContact O-CZ 3.36Å; L309-F318 HydrophobicContact CD2-CZ 4.02Å; H316-F318 HydrophobicContact CB-CD2 4.5Å; H316-F318 HydrophobicContact CB-CE2 3.67Å; H316-F318 HydrophobicContact CB-CZ 4.1Å; F318-E330 CarbonylContact O-C 3.15Å; F318-E330 VanDerWaalsContact O-CA 3.24Å; F318-E330 WeakPolarHBondContact O-CA 3.22Å; F318-C331 PolarHBondContact N-O 2.85Å; F318-C331 PolarHBondContact O-N 2.87Å; F318-L333 HydrophobicContact CD2-CB 4.4Å; F318-L333 HydrophobicContact CE2-CB 3.8Å; F318-L333 HydrophobicContact CE2-CD2 4.33Å
319R98.1Very high91.8Very high57 Ų5754.8 Ų54.822%0.21530%0.3CS..EExtended strand (participates in β ladder)trans-113.1122.9175.7-173.9172.276.4-131.81.5109.9M277 D280 I321 E330M277-R319 HydrophobicContact CB-CB 4.24Å; M277-R319 PolarHBondContact N-O 3.39Å; M277-R319 PolarHBondContact O-N 2.88Å; D280-R319 IonicContact OD1-CZ 3.49Å; D280-R319 IonicContact OD1-NH1 2.74Å; D280-R319 PolarHBondContact OD1-NH1 3.07Å; D280-R319 IonicContact OD1-NH2 3.39Å; R319-I321 HydrophobicContact CG-CG1 4.45Å; R319-E330 HydrophobicContact CB-CB 4.24Å; R319-E330 HydrophobicContact CB-CG 4.09Å; R319-E330 HydrophobicContact CG-CB 4.25Å; R319-E330 IonicContact NH1-OE2 3.33Å
320V97.3Very high92Very high1 Ų158.1 Ų58.11%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-106.8134.7176.5176.20000109.3L245 L248 L257 V259 L274 L275 L276 W287 Q328 K329L245-V320 HydrophobicContact CD1-CB 4.47Å; L245-V320 HydrophobicContact CD1-CG1 4.11Å; L245-V320 HydrophobicContact CD2-CG1 4.39Å; L248-V320 HydrophobicContact CD1-CB 4.44Å; L248-V320 HydrophobicContact CD1-CG2 3.57Å; L248-V320 HydrophobicContact CD2-CG2 4.14Å; L257-V320 HydrophobicContact CD1-CG2 4.29Å; L257-V320 HydrophobicContact CD2-CG2 4.08Å; V259-V320 HydrophobicContact CG2-CB 4.44Å; V259-V320 HydrophobicContact CG2-CG1 4.05Å; V259-V320 HydrophobicContact CG2-CG2 4.11Å; L274-V320 HydrophobicContact CD2-CG1 3.57Å; L275-V320 WeakPolarHBondContact O-CA 3.49Å; L276-V320 HydrophobicContact CD1-CG2 3.87Å; W287-V320 HydrophobicContact CH2-CG1 4.35Å; W287-V320 HydrophobicContact CH2-CG2 4.24Å; W287-V320 HydrophobicContact CZ2-CG1 4.44Å; V320-Q328 CarbonylContact O-C 3.49Å; V320-Q328 WeakPolarHBondContact O-CA 3.34Å; V320-Q328 WeakPolarHBondContact O-CB 3.45Å; V320-K329 PolarHBondContact N-O 3.13Å; V320-K329 PolarHBondContact O-N 3.03Å
321I95.5Very high92.4Very high34 Ų3456.7 Ų56.717%0.17431%0.308CS..EExtended strand (participates in β ladder)trans-123.9126.2180-52.9168.5000108.8L274 L275 M277 R319 Q328L274-I321 WeakPolarHBondContact CA-O 3.48Å; L275-I321 HydrophobicContact CB-CB 4.33Å; L275-I321 PolarHBondContact N-O 2.8Å; L275-I321 PolarHBondContact O-N 2.66Å; M277-I321 HydrophobicContact CG-CD1 4.4Å; R319-I321 HydrophobicContact CG-CG1 4.45Å; I321-Q328 HydrophobicContact CG1-CB 4.03Å
322W94.5Very high92.8Very high1 Ų155.8 Ų55.80%0.00431%0.305CS..EExtended strand (participates in β ladder)trans-93.7112170.5176.4-123.7000110.4D243 L245 F261 L265 V267 E272 L274 A324 D326 V327D243-W322 PolarHBondContact OD2-NE1 2.91Å; L245-W322 HydrophobicContact CD1-CB 4.42Å; F261-W322 HydrophobicContact CE1-CB 4.36Å; F261-W322 HydrophobicContact CE1-CD2 4.14Å; F261-W322 HydrophobicContact CE1-CE3 4.4Å; F261-W322 HydrophobicContact CE1-CG 4.14Å; F261-W322 HydrophobicContact CZ-CD2 4.37Å; F261-W322 HydrophobicContact CZ-CE3 4.16Å; F261-W322 HydrophobicContact CZ-CZ3 4.49Å; L265-W322 HydrophobicContact CD1-CH2 4.4Å; L265-W322 HydrophobicContact CD1-CZ2 3.81Å; V267-W322 HydrophobicContact CG2-CH2 4.49Å; V267-W322 HydrophobicContact CG2-CZ3 4.04Å; E272-W322 HydrophobicContact CB-CH2 3.45Å; E272-W322 VanDerWaalsContact CB-CH2 3.45Å; E272-W322 HydrophobicContact CB-CZ2 3.85Å; E272-W322 HydrophobicContact CB-CZ3 4.16Å; E272-W322 HydrophobicContact CG-CH2 4.32Å; E272-W322 HydrophobicContact CG-CZ2 4.25Å; L274-W322 HydrophobicContact CD2-CB 4.27Å; L274-W322 HydrophobicContact CD2-CE3 3.9Å; L274-W322 HydrophobicContact CG-CE3 4.01Å; L274-W322 HydrophobicContact CG-CZ3 4.31Å; W322-A324 HydrophobicContact CZ2-CB 4Å; W322-A324 PolarHBondContact O-N 3.1Å; W322-D326 PolarHBondContact O-N 3.29Å; W322-D326 VanDerWaalsContact O-N 3.15Å; W322-V327 PolarHBondContact N-O 3.33Å; W322-V327 PolarHBondContact O-N 3.12Å
323T90.6Very high93.3Very high58 Ų5847.7 Ų47.736%0.35627%0.267SS..THydrogen-bonded Turntrans-70.4-28.5-168.458.50000114.7T271 I273 L275T271-T323 PolarHBondContact O-OG1 2.95Å; T271-T323 VanDerWaalsContact O-OG1 3.08Å; I273-T323 HydrophobicContact CB-CG2 4.46Å; I273-T323 PolarHBondContact N-OG1 3.33Å; I273-T323 WeakPolarHBondContact O-CG2 3.28Å; I273-T323 PolarHBondContact O-N 2.83Å; I273-T323 VanDerWaalsContact O-N 3.13Å; I273-T323 PolarHBondContact O-OG1 2.74Å; L275-T323 HydrophobicContact CD1-CG2 3.86Å; L275-T323 HydrophobicContact CG-CG2 3.96Å
324A85.9Confident93.6Very high52 Ų5247.8 Ų47.843%0.4327%0.267SS..THydrogen-bonded Turntrans-78.6-24.3-174.500000113.4E272 W322E272-A324 HydrophobicContact CB-CB 4.46Å; E272-A324 HydrophobicContact CG-CB 3.92Å; W322-A324 HydrophobicContact CZ2-CB 4Å; W322-A324 PolarHBondContact O-N 3.1Å
325G76.6Confident93.7Very high37 Ų3749 Ų4938%0.38126%0.263SS..THydrogen-bonded Turntrans-115.32.1179.500000114.7V327G325-V327 WeakPolarHBondContact O-CG2 3.49Å; G325-V327 PolarHBondContact O-N 3Å; G325-V327 VanDerWaalsContact O-N 3.13Å
326D83.4Confident93.5Very high144 Ų14447.6 Ų47.677%0.7727%0.271SS*.THydrogen-bonded Turntrans49.933.8-172.1-159.129.9000113.5W322W322-D326 PolarHBondContact O-N 3.29Å; W322-D326 VanDerWaalsContact O-N 3.15Å
327V89Confident93.4Very high44 Ų4455.3 Ų55.327%0.26730%0.3SS..EExtended strand (participates in β ladder)trans-98.1135-180-178.90000109.5D243 L245 W322 G325D243-V327 WeakPolarHBondContact O-CG2 3.45Å; L245-V327 HydrophobicContact CB-CG1 4.38Å; L245-V327 HydrophobicContact CD1-CG1 4.43Å; L245-V327 HydrophobicContact CG-CG1 4.37Å; W322-V327 PolarHBondContact N-O 3.33Å; W322-V327 PolarHBondContact O-N 3.12Å; G325-V327 WeakPolarHBondContact O-CG2 3.49Å; G325-V327 PolarHBondContact O-N 3Å; G325-V327 VanDerWaalsContact O-N 3.13Å
328Q93.9Very high93.2Very high120 Ų12059.5 Ų59.556%0.56132%0.319SS*.EExtended strand (participates in β ladder)trans-129.8151177.663.4-179.3-9.900112V320 I321V320-Q328 CarbonylContact O-C 3.49Å; V320-Q328 WeakPolarHBondContact O-CA 3.34Å; V320-Q328 WeakPolarHBondContact O-CB 3.45Å; I321-Q328 HydrophobicContact CG1-CB 4.03Å
329K95.4Very high93.2Very high27 Ų2761.5 Ų61.512%0.11733%0.328CS..EExtended strand (participates in β ladder)trans-141.5140.8172.2-171167.1-79-70.10109.6L245 L248 V320 C342 D344L245-K329 HydrophobicContact CB-CB 3.98Å; L245-K329 HydrophobicContact CB-CD 4.5Å; L245-K329 HydrophobicContact CD1-CB 4.12Å; L245-K329 WeakPolarHBondContact O-CE 3.37Å; L248-K329 HydrophobicContact CB-CD 4.24Å; L248-K329 HydrophobicContact CB-CG 4.22Å; V320-K329 PolarHBondContact N-O 3.13Å; V320-K329 PolarHBondContact O-N 3.03Å; K329-C342 HydrophobicContact CD-CB 4.26Å; K329-C342 HydrophobicContact CG-CB 4.03Å; K329-D344 VanDerWaalsContact CE-OD1 3.24Å; K329-D344 WeakPolarHBondContact CE-OD1 3.37Å; K329-D344 IonicContact NZ-OD1 3.52Å; K329-D344 PolarHBondContact NZ-OD1 3.42Å
330E97.2Very high93.1Very high85 Ų8559 Ų5940%0.39732%0.32SS..EExtended strand (participates in β ladder)trans-127.4141.7-175.9-173.9176.4101.600110.6T317 F318 R319 C342T317-E330 HydrophobicContact CG2-CG 3.48Å; T317-E330 VanDerWaalsContact CG2-CG 3.48Å; T317-E330 WeakPolarHBondContact CG2-OE1 3.29Å; F318-E330 CarbonylContact O-C 3.15Å; F318-E330 VanDerWaalsContact O-CA 3.24Å; F318-E330 WeakPolarHBondContact O-CA 3.22Å; R319-E330 HydrophobicContact CB-CB 4.24Å; R319-E330 HydrophobicContact CB-CG 4.09Å; R319-E330 HydrophobicContact CG-CB 4.25Å; R319-E330 IonicContact NH1-OE2 3.33Å; E330-C342 WeakPolarHBondContact O-CB 3.42Å; E330-C342 PolarHBondContact O-SG 3.37Å; E330-C342 VanDerWaalsContact O-SG 3.39Å
331C97.3Very high93.1Very high5 Ų564.5 Ų64.53%0.03434%0.341CS..EExtended strand (participates in β ladder)trans-136.9159.7169.675.80000110.8L248 F318 C342L248-C331 HydrophobicContact CD2-CB 4Å; L248-C331 VanDerWaalsContact CD2-SG 3.55Å; L248-C331 HydrophobicContact CG-CB 4.34Å; F318-C331 PolarHBondContact N-O 2.85Å; F318-C331 PolarHBondContact O-N 2.87Å; C331-C342 HydrophobicContact CB-CB 3.81Å
332V97.4Very high93.1Very high51 Ų5164.6 Ų64.631%0.30934%0.344SS..EExtended strand (participates in β ladder)trans-117.9130-179.2-178.70000109.7Q315 H316 L334Q315-V332 HydrophobicContact CB-CG1 3.74Å; Q315-V332 HydrophobicContact CG-CG1 4.13Å; H316-V332 WeakPolarHBondContact O-CA 3.46Å; V332-L334 HydrophobicContact CG1-CD2 3.83Å; V332-L334 HydrophobicContact CG1-CG 4.5Å
333L96.9Very high93Very high0 Ų067.1 Ų67.10%035%0.354CS..EExtended strand (participates in β ladder)trans-99.8108.8169.9-178.366.6000109.1V250 L309 Q315 H316 F318 E339V250-L333 HydrophobicContact CG1-CD2 4.21Å; L309-L333 HydrophobicContact CD2-CD2 3.47Å; L309-L333 VanDerWaalsContact CD2-CD2 3.47Å; Q315-L333 CarbonylContact C-O 3.26Å; Q315-L333 VanDerWaalsContact CA-O 3.29Å; Q315-L333 WeakPolarHBondContact CA-O 3.18Å; H316-L333 PolarHBondContact N-O 2.96Å; H316-L333 PolarHBondContact O-N 3.01Å; F318-L333 HydrophobicContact CD2-CB 4.4Å; F318-L333 HydrophobicContact CE2-CB 3.8Å; F318-L333 HydrophobicContact CE2-CD2 4.33Å; L333-E339 VanDerWaalsContact CD1-C 3.4Å
334L95.8Very high92.9Very high82 Ų8265 Ų6543%0.42934%0.34SS..EExtended strand (participates in β ladder)trans-78.4150.1178.3-57.9175.5000111.4R252 Q315 V332 G336 R337R252-L334 PolarHBondContact NH2-O 3.14Å; Q315-L334 HydrophobicContact CB-CD2 3.87Å; V332-L334 HydrophobicContact CG1-CD2 3.83Å; V332-L334 HydrophobicContact CG1-CG 4.5Å; L334-G336 PolarHBondContact O-N 2.96Å; L334-R337 HydrophobicContact CB-CB 4.46Å; L334-R337 HydrophobicContact CB-CG 3.87Å; L334-R337 WeakPolarHBondContact O-CB 3.38Å; L334-R337 PolarHBondContact O-N 3.25Å; L334-R337 VanDerWaalsContact O-N 3.08Å
335K94.4Very high92.6Very high122 Ų12264 Ų6453%0.5333%0.33SS..THydrogen-bonded Turntrans-52.9134.5172.5175.4167.8-179.2153.20111.5D311 P314 R337D311-K335 HydrophobicContact CB-CD 4.2Å; D311-K335 HydrophobicContact CB-CG 4.11Å; D311-K335 PolarHBondContact O-NZ 2.89Å; P314-K335 VanDerWaalsContact O-CB 3.24Å; P314-K335 WeakPolarHBondContact O-CB 3.5Å; P314-K335 PolarHBondContact O-N 3.39Å; K335-R337 PolarHBondContact O-N 3.12Å
336G91.3Very high92.9Very high56 Ų5662.4 Ų62.458%0.57731%0.313SS*.THydrogen-bonded Turntrans73.6-6.2-178.800000115.5L334L334-G336 PolarHBondContact O-N 2.96Å
337R95.2Very high92.4Very high166 Ų16658.4 Ų58.463%0.62629%0.294SS*.  trans-84.3142.4168.6-62.9-66.8-171.21582.1110.1R252 L334 K335R252-R337 PolarHBondContact NE-O 2.87Å; R252-R337 PolarHBondContact NH2-O 3.38Å; L334-R337 HydrophobicContact CB-CB 4.46Å; L334-R337 HydrophobicContact CB-CG 3.87Å; L334-R337 WeakPolarHBondContact O-CB 3.38Å; L334-R337 PolarHBondContact O-N 3.25Å; L334-R337 VanDerWaalsContact O-N 3.08Å; K335-R337 PolarHBondContact O-N 3.12Å
338Q94.4Very high91.8Very high108 Ų10861.8 Ų61.851%0.50531%0.31SS..SBendtrans-81.5-17.4178.2-66.1-56.4-31.200113.3R252R252-Q338 VanDerWaalsContact CB-O 3.32Å; R252-Q338 WeakPolarHBondContact CB-O 3.26Å; R252-Q338 PolarHBondContact N-O 2.91Å
339E96.4Very high90.9Very high42 Ų4259.8 Ų59.820%0.19630%0.301CS..EExtended strand (participates in β ladder)trans-153.4154.6-172.946.7-178.6-153.900110.7H249 V250 L333 W341 R444 R509H249-E339 IonicContact NE2-OE2 3.71Å; V250-E339 WeakPolarHBondContact O-CA 3.41Å; V250-E339 WeakPolarHBondContact O-CB 3.43Å; L333-E339 VanDerWaalsContact CD1-C 3.4Å; E339-W341 HydrophobicContact CG-CE3 4.35Å; E339-W341 HydrophobicContact CG-CZ3 3.91Å; E339-W341 WeakPolarHBondContact OE1-CZ3 3.45Å; E339-R444 IonicContact OE1-CZ 3.9Å; E339-R444 IonicContact OE1-NH1 3.47Å; E339-R444 PolarHBondContact OE1-NH1 3.38Å; E339-R444 IonicContact OE1-NH2 3.03Å; E339-R444 IonicContact OE2-NH1 2.69Å; E339-R444 IonicContact OE2-NH2 2.7Å; E339-R509 IonicContact OE2-CZ 2.66Å; E339-R509 IonicContact OE2-NH1 3.07Å; E339-R509 PolarHBondContact OE2-NH1 3.13Å; E339-R509 IonicContact OE2-NH2 3.75Å
340G96.6Very high90.1Very high5 Ų559.9 Ų59.95%0.05230%0.302CS..EExtended strand (participates in β ladder)trans-143.1143172.600000108.8V250V250-G340 PolarHBondContact N-O 2.98Å; V250-G340 PolarHBondContact O-N 3.02Å
341W97Very high89.1Confident115 Ų11557 Ų5744%0.43629%0.289SS..EExtended strand (participates in β ladder)trans-149.3162.9-178.965.184000112.3L248 H249 E339 L464L248-W341 CarbonylContact O-C 3.08Å; L248-W341 WeakPolarHBondContact O-CA 3.41Å; L248-W341 VanDerWaalsContact O-CB 3.22Å; L248-W341 WeakPolarHBondContact O-CB 3.39Å; H249-W341 HydrophobicContact CB-CB 4.35Å; E339-W341 HydrophobicContact CG-CE3 4.35Å; E339-W341 HydrophobicContact CG-CZ3 3.91Å; E339-W341 WeakPolarHBondContact OE1-CZ3 3.45Å; W341-L464 HydrophobicContact CB-CD1 4.29Å; W341-L464 HydrophobicContact CB-CD2 3.81Å; W341-L464 HydrophobicContact CD2-CD1 4.2Å; W341-L464 HydrophobicContact CD2-CD2 4.22Å; W341-L464 HydrophobicContact CG-CD1 3.7Å; W341-L464 HydrophobicContact CG-CD2 3.86Å; W341-L464 HydrophobicContact CG-CG 4.48Å
342C95.6Very high88.3Confident37 Ų3757.7 Ų57.725%0.2529%0.291CS..EExtended strand (participates in β ladder)trans-138127.3165.8176.40000106.8C247 L248 K329 E330 C331C247-C342 CarbonylContact C-O 3.59Å; C247-C342 VanDerWaalsContact CA-O 3.29Å; C247-C342 WeakPolarHBondContact CA-O 3.37Å; C247-C342 PolarHBondContact SG-O 3.45Å; L248-C342 PolarHBondContact N-O 3.46Å; L248-C342 PolarHBondContact O-N 3.15Å; K329-C342 HydrophobicContact CD-CB 4.26Å; K329-C342 HydrophobicContact CG-CB 4.03Å; E330-C342 WeakPolarHBondContact O-CB 3.42Å; E330-C342 PolarHBondContact O-SG 3.37Å; E330-C342 VanDerWaalsContact O-SG 3.39Å; C331-C342 HydrophobicContact CB-CB 3.81Å
343R92.9Very high87.4Confident53 Ų5359.3 Ų59.320%0.229%0.292CS..EExtended strand (participates in β ladder)trans-135.5135.4-177179.4170.6172.2-81.20.9109.2R246 C247 S345 E439 Q461 L464R246-R343 WeakPolarHBondContact O-CA 3.46Å; C247-R343 HydrophobicContact CB-CB 4.12Å; C247-R343 HydrophobicContact CB-CG 4.01Å; R343-S345 PolarHBondContact O-N 3.38Å; R343-E439 IonicContact CZ-OE1 2.85Å; R343-E439 IonicContact NH1-OE1 2.73Å; R343-E439 PolarHBondContact NH1-OE1 2.93Å; R343-E439 IonicContact NH2-OE1 3.97Å; R343-E439 PolarHBondContact NH2-OE1 3.32Å; R343-Q461 PolarHBondContact NE-O 3.39Å; R343-Q461 PolarHBondContact NH2-O 3.31Å; R343-Q461 VanDerWaalsContact NH2-O 3.11Å; R343-L464 HydrophobicContact CB-CD1 3.96Å; R343-L464 HydrophobicContact CG-CD1 4.44Å
344D87.5Confident86.3Confident15 Ų1560.3 Ų60.38%0.0830%0.299CS..  trans-58.2118.6165.7-77.94.8000109.5R246 K329 T346 E349R246-D344 WeakPolarHBondContact CD-OD2 3.43Å; R246-D344 IonicContact CZ-OD2 2.66Å; R246-D344 IonicContact NE-OD2 3.83Å; R246-D344 IonicContact NH1-OD2 2.82Å; R246-D344 PolarHBondContact NH1-OD2 3.09Å; R246-D344 WeakPolarHBondContact O-CB 3.42Å; R246-D344 PolarHBondContact O-N 2.74Å; K329-D344 VanDerWaalsContact CE-OD1 3.24Å; K329-D344 WeakPolarHBondContact CE-OD1 3.37Å; K329-D344 IonicContact NZ-OD1 3.52Å; K329-D344 PolarHBondContact NZ-OD1 3.42Å; D344-T346 PolarHBondContact O-N 3.26Å; D344-E349 HydrophobicContact CB-CB 4.29Å; D344-E349 HydrophobicContact CB-CG 3.64Å
345S81.5Confident85.3Confident31 Ų3162.8 Ų62.822%0.21731%0.308CS..  trans-64.6130170166.80000108.6R343 T347 D348 E349R343-S345 PolarHBondContact O-N 3.38Å; S345-T347 PolarHBondContact O-N 3.06Å; S345-T347 PolarHBondContact OG-N 3.01Å; S345-D348 WeakPolarHBondContact CB-OD2 3.32Å; S345-D348 PolarHBondContact O-N 3.47Å; S345-D348 VanDerWaalsContact OG-CG 3.31Å; S345-D348 PolarHBondContact OG-N 3.45Å; S345-D348 PolarHBondContact OG-OD2 3.25Å; S345-D348 VanDerWaalsContact OG-OD2 3.09Å; S345-E349 VanDerWaalsContact O-CB 3.29Å; S345-E349 WeakPolarHBondContact O-CB 3.46Å; S345-E349 PolarHBondContact O-N 3.01Å
346T80.9Confident84.7Confident2 Ų259.2 Ų59.21%0.01229%0.294CS..THydrogen-bonded Turntrans-65-24.5178.465.90000112.2D344 Q350 L351 F352 V435 L436 E439D344-T346 PolarHBondContact O-N 3.26Å; T346-Q350 CarbonylContact O-C 3.56Å; T346-Q350 PolarHBondContact O-N 2.84Å; T346-L351 HydrophobicContact CG2-CB 4.25Å; T346-L351 HydrophobicContact CG2-CD1 3.63Å; T346-L351 HydrophobicContact CG2-CG 4.41Å; T346-L351 PolarHBondContact O-N 3.32Å; T346-F352 HydrophobicContact CG2-CD2 4.23Å; T346-F352 HydrophobicContact CG2-CE2 3.48Å; T346-F352 VanDerWaalsContact CG2-CE2 3.48Å; T346-F352 HydrophobicContact CG2-CZ 3.82Å; T346-V435 HydrophobicContact CG2-CG1 3.82Å; T346-L436 WeakPolarHBondContact OG1-CD2 3.4Å; T346-E439 WeakPolarHBondContact CB-OE1 3.4Å; T346-E439 WeakPolarHBondContact CB-OE2 3.48Å; T346-E439 WeakPolarHBondContact CG2-OE1 3.44Å; T346-E439 PolarHBondContact N-OE1 2.89Å; T346-E439 PolarHBondContact N-OE2 3.05Å; T346-E439 PolarHBondContact OG1-OE1 3.49Å; T346-E439 VanDerWaalsContact OG1-OE1 3.12Å; T346-E439 PolarHBondContact OG1-OE2 2.99Å
347T74.4Confident84.5Confident61 Ų6157.9 Ų57.937%0.37428%0.276SS..THydrogen-bonded Turntrans-76.2-52.8176-54.60000110.8S345 Q350S345-T347 PolarHBondContact O-N 3.06Å; S345-T347 PolarHBondContact OG-N 3.01Å; T347-Q350 PolarHBondContact O-N 2.69Å; T347-Q350 VanDerWaalsContact O-N 3.1Å
348D75.8Confident84.2Confident114 Ų11455.2 Ų55.261%0.6128%0.279SS*.THydrogen-bonded Turntrans-71.2-38.8-173.3-51.1-28.5000111.6S345 Q350S345-D348 WeakPolarHBondContact CB-OD2 3.32Å; S345-D348 PolarHBondContact O-N 3.47Å; S345-D348 VanDerWaalsContact OG-CG 3.31Å; S345-D348 PolarHBondContact OG-N 3.45Å; S345-D348 PolarHBondContact OG-OD2 3.25Å; S345-D348 VanDerWaalsContact OG-OD2 3.09Å; D348-Q350 PolarHBondContact O-N 3.09Å
349E75.6Confident83.9Confident79 Ų7955.8 Ų55.837%0.36928%0.281SS..THydrogen-bonded Turntrans-83.45.1175.4-66.7-65.7146.400112.7Q200 R246 D344 S345 L351Q200-E349 PolarHBondContact NE2-O 3.03Å; R246-E349 IonicContact NH1-OE2 3.72Å; D344-E349 HydrophobicContact CB-CB 4.29Å; D344-E349 HydrophobicContact CB-CG 3.64Å; S345-E349 VanDerWaalsContact O-CB 3.29Å; S345-E349 WeakPolarHBondContact O-CB 3.46Å; S345-E349 PolarHBondContact O-N 3.01Å; E349-L351 HydrophobicContact CB-CD2 4.19Å; E349-L351 HydrophobicContact CB-CG 4.05Å; E349-L351 PolarHBondContact O-N 3.42Å; E349-L351 VanDerWaalsContact O-N 3.17Å
350Q77.3Confident83.6Confident29 Ų2955 Ų5514%0.13628%0.277CS..THydrogen-bonded Turntrans52.741.7174.8-61.7-176.324.800111.7R238 T346 T347 D348 F352 R353 E355R238-Q350 PolarHBondContact NH1-O 2.77Å; R238-Q350 PolarHBondContact NH2-O 3.03Å; T346-Q350 CarbonylContact O-C 3.56Å; T346-Q350 PolarHBondContact O-N 2.84Å; T347-Q350 PolarHBondContact O-N 2.69Å; T347-Q350 VanDerWaalsContact O-N 3.1Å; D348-Q350 PolarHBondContact O-N 3.09Å; Q350-F352 PolarHBondContact O-N 2.82Å; Q350-R353 CarbonylContact C-O 3.05Å; Q350-R353 VanDerWaalsContact C-O 3.28Å; Q350-R353 VanDerWaalsContact CA-O 3.24Å; Q350-R353 WeakPolarHBondContact CA-O 3.39Å; Q350-R353 VanDerWaalsContact CB-O 3.26Å; Q350-R353 WeakPolarHBondContact CB-O 3.31Å; Q350-R353 VanDerWaalsContact O-O 3.08Å; Q350-E355 VanDerWaalsContact CD-N 3.3Å; Q350-E355 HydrophobicContact CG-CG 4.05Å; Q350-E355 VanDerWaalsContact NE2-CD 3.28Å; Q350-E355 VanDerWaalsContact NE2-CG 3.33Å; Q350-E355 PolarHBondContact NE2-OE2 2.73Å
351L78.1Confident83.3Confident25 Ų2556.9 Ų56.913%0.13129%0.29CS..SBendtrans-68-38.3-168.1-70.2-177.9000113.8R238 T346 E349 Q461R238-L351 VanDerWaalsContact CZ-O 3.23Å; R238-L351 PolarHBondContact NH1-O 3.05Å; R238-L351 PolarHBondContact NH2-O 3.37Å; T346-L351 HydrophobicContact CG2-CB 4.25Å; T346-L351 HydrophobicContact CG2-CD1 3.63Å; T346-L351 HydrophobicContact CG2-CG 4.41Å; T346-L351 PolarHBondContact O-N 3.32Å; E349-L351 HydrophobicContact CB-CD2 4.19Å; E349-L351 HydrophobicContact CB-CG 4.05Å; E349-L351 PolarHBondContact O-N 3.42Å; E349-L351 VanDerWaalsContact O-N 3.17Å; L351-Q461 VanDerWaalsContact CD1-OE1 3.3Å
352F80.2Confident83.2Confident18 Ų1855.7 Ų55.78%0.07930%0.295CS..SBendtrans-105.7-33.9-176.8-53.1-46.2000113.4R238 T346 Q350 E432 V435 L436 H458 Q461R238-F352 PolarHBondContact NH2-O 2.87Å; T346-F352 HydrophobicContact CG2-CD2 4.23Å; T346-F352 HydrophobicContact CG2-CE2 3.48Å; T346-F352 VanDerWaalsContact CG2-CE2 3.48Å; T346-F352 HydrophobicContact CG2-CZ 3.82Å; Q350-F352 PolarHBondContact O-N 2.82Å; F352-E432 HydrophobicContact CB-CB 4.31Å; F352-E432 HydrophobicContact CB-CG 4.37Å; F352-E432 HydrophobicContact CD1-CB 4.16Å; F352-E432 HydrophobicContact CD1-CG 3.56Å; F352-E432 HydrophobicContact CD2-CB 3.94Å; F352-E432 HydrophobicContact CD2-CG 4.26Å; F352-E432 HydrophobicContact CE1-CB 4.48Å; F352-E432 HydrophobicContact CE1-CG 3.82Å; F352-E432 HydrophobicContact CE2-CB 4.28Å; F352-E432 HydrophobicContact CE2-CG 4.47Å; F352-E432 HydrophobicContact CG-CB 3.88Å; F352-E432 HydrophobicContact CG-CG 3.81Å; F352-E432 HydrophobicContact CZ-CG 4.27Å; F352-V435 HydrophobicContact CE2-CB 3.89Å; F352-V435 HydrophobicContact CE2-CG1 3.77Å; F352-V435 HydrophobicContact CZ-CB 4.4Å; F352-V435 HydrophobicContact CZ-CG1 4.23Å; F352-L436 HydrophobicContact CD2-CD2 4.29Å; F352-L436 HydrophobicContact CD2-CG 4.21Å; F352-H458 HydrophobicContact CE1-CB 4.26Å; F352-H458 AromaticContact CE1-CD2 3.99Å; F352-H458 AromaticContact CE1-CG 3.82Å; F352-H458 HydrophobicContact CZ-CB 4.46Å; F352-Q461 HydrophobicContact CZ-CG 4.3Å
353R77.5Confident83.1Confident85 Ų8556.2 Ų56.232%0.32130%0.297SS..SBendtrans-127.6148.116766.3178.7-177.6-179.2-2.6112.6R238 Q350 D396R238-R353 PolarHBondContact NH2-O 3.49Å; R238-R353 VanDerWaalsContact NH2-O 3.11Å; Q350-R353 CarbonylContact C-O 3.05Å; Q350-R353 VanDerWaalsContact C-O 3.28Å; Q350-R353 VanDerWaalsContact CA-O 3.24Å; Q350-R353 WeakPolarHBondContact CA-O 3.39Å; Q350-R353 VanDerWaalsContact CB-O 3.26Å; Q350-R353 WeakPolarHBondContact CB-O 3.31Å; Q350-R353 VanDerWaalsContact O-O 3.08Å; R353-D396 IonicContact NH1-OD1 3.66Å
354C73.8Confident83.3Confident21 Ų2153.7 Ų53.714%0.14229%0.287CS..  trans-81.4146.3169.8-57.40000108.6L356C354-L356 PolarHBondContact O-N 3.27Å
355E75.9Confident83.7Confident134 Ų13455.8 Ų55.863%0.62630%0.297SS*.  trans-61.1139.2166.4-74.7176.7178.700109.1Q350Q350-E355 VanDerWaalsContact CD-N 3.3Å; Q350-E355 HydrophobicContact CG-CG 4.05Å; Q350-E355 VanDerWaalsContact NE2-CD 3.28Å; Q350-E355 VanDerWaalsContact NE2-CG 3.33Å; Q350-E355 PolarHBondContact NE2-OE2 2.73Å
356L81.4Confident84.4Confident47 Ų4757.5 Ų57.525%0.24631%0.309CS..  trans-107.8129.8-179-57.6179.7000108.3C354 K360 L364 A394 L395C354-L356 PolarHBondContact O-N 3.27Å; L356-K360 HydrophobicContact CD2-CD 3.56Å; L356-K360 VanDerWaalsContact CD2-CE 3.44Å; L356-K360 HydrophobicContact CD2-CG 3.97Å; L356-L364 HydrophobicContact CD1-CD1 4.12Å; L356-L364 HydrophobicContact CD2-CD1 4.11Å; L356-A394 WeakPolarHBondContact CD1-O 3.47Å; L356-L395 HydrophobicContact CD1-CD2 4.21Å
357S86.6Confident85.1Confident28 Ų2857.4 Ų57.420%0.19631%0.308CS..  trans-60.4165.3161.766.80000110.6E205 E359 K360 S361E205-S357 WeakPolarHBondContact OE1-CB 3.45Å; E205-S357 PolarHBondContact OE1-OG 3.19Å; E205-S357 PolarHBondContact OE2-OG 2.59Å; S357-E359 VanDerWaalsContact C-N 3.26Å; S357-E359 PolarHBondContact O-N 2.94Å; S357-K360 PolarHBondContact O-N 2.94Å; S357-K360 VanDerWaalsContact OG-CB 3.22Å; S357-K360 WeakPolarHBondContact OG-CB 3.31Å; S357-K360 PolarHBondContact OG-N 3.06Å; S357-S361 VanDerWaalsContact O-CB 3.24Å; S357-S361 WeakPolarHBondContact O-CB 3.21Å; S357-S361 PolarHBondContact O-N 3.47Å
358V89.3Confident86.3Confident111 Ų11154.5 Ų54.567%0.67329%0.29SS*.Hα-helixtrans-61.5-41.8176.4177.20000110.1T362V358-T362 WeakPolarHBondContact O-CB 3.35Å; V358-T362 PolarHBondContact O-N 3.45Å; V358-T362 PolarHBondContact O-OG1 2.59Å
359E88.6Confident87.3Confident119 Ų11953 Ų5356%0.55628%0.279SS*.Hα-helixtrans-61.3-52.6178.7-65.575.5-168.400110.8L209 S357 S361 T362 V363L209-E359 HydrophobicContact CD1-CB 4.24Å; S357-E359 VanDerWaalsContact C-N 3.26Å; S357-E359 PolarHBondContact O-N 2.94Å; E359-S361 PolarHBondContact O-N 3.1Å; E359-T362 PolarHBondContact O-N 3.4Å; E359-V363 WeakPolarHBondContact O-CG2 3.47Å; E359-V363 PolarHBondContact O-N 3.1Å
360K88.7Confident88.3Confident25 Ų2550.5 Ų50.511%0.10927%0.271CS..Hα-helixtrans-63.7-42.5179.6-173.7177.9175-176.40112.1L208 L209 L356 S357 T362 V363 L364L208-K360 HydrophobicContact CD2-CD 4.24Å; L209-K360 HydrophobicContact CD2-CB 4.05Å; L209-K360 HydrophobicContact CD2-CG 4.14Å; L356-K360 HydrophobicContact CD2-CD 3.56Å; L356-K360 VanDerWaalsContact CD2-CE 3.44Å; L356-K360 HydrophobicContact CD2-CG 3.97Å; S357-K360 PolarHBondContact O-N 2.94Å; S357-K360 VanDerWaalsContact OG-CB 3.22Å; S357-K360 WeakPolarHBondContact OG-CB 3.31Å; S357-K360 PolarHBondContact OG-N 3.06Å; K360-T362 VanDerWaalsContact C-N 3.3Å; K360-T362 PolarHBondContact O-N 3.38Å; K360-V363 PolarHBondContact O-N 2.94Å; K360-L364 HydrophobicContact CG-CD1 4.2Å; K360-L364 HydrophobicContact CG-CG 4.37Å; K360-L364 VanDerWaalsContact O-CG 3.3Å; K360-L364 WeakPolarHBondContact O-CG 3.41Å; K360-L364 PolarHBondContact O-N 3.02Å
361S91.8Very high89.3Confident46 Ų4649.1 Ų49.132%0.32227%0.265SS..Hα-helixtrans-59.5-42.9176.1-173.30000111.6S357 E359 L364 Q365S357-S361 VanDerWaalsContact O-CB 3.24Å; S357-S361 WeakPolarHBondContact O-CB 3.21Å; S357-S361 PolarHBondContact O-N 3.47Å; E359-S361 PolarHBondContact O-N 3.1Å; S361-L364 PolarHBondContact O-N 3.11Å; S361-Q365 WeakPolarHBondContact O-CB 3.28Å; S361-Q365 PolarHBondContact O-N 3.24Å
362T93.8Very high90.3Very high90 Ų9049.7 Ų49.755%0.55227%0.266SS*.Hα-helixtrans-63.8-45178.4-55.80000111.8V358 E359 K360 Q365 S366V358-T362 WeakPolarHBondContact O-CB 3.35Å; V358-T362 PolarHBondContact O-N 3.45Å; V358-T362 PolarHBondContact O-OG1 2.59Å; E359-T362 PolarHBondContact O-N 3.4Å; K360-T362 VanDerWaalsContact C-N 3.3Å; K360-T362 PolarHBondContact O-N 3.38Å; T362-Q365 PolarHBondContact O-N 2.92Å; T362-S366 WeakPolarHBondContact O-CB 3.22Å; T362-S366 PolarHBondContact O-N 2.85Å
363V94.6Very high91.1Very high47 Ų4754.9 Ų54.929%0.28529%0.29SS..Hα-helixtrans-62-49.1177.2171.80000110.9L209 E359 K360 Q365 S366 E367L209-V363 HydrophobicContact CD2-CB 4.21Å; L209-V363 HydrophobicContact CD2-CG1 4.42Å; L209-V363 HydrophobicContact CD2-CG2 4.15Å; E359-V363 WeakPolarHBondContact O-CG2 3.47Å; E359-V363 PolarHBondContact O-N 3.1Å; K360-V363 PolarHBondContact O-N 2.94Å; V363-Q365 VanDerWaalsContact C-N 3.34Å; V363-Q365 PolarHBondContact O-N 3.37Å; V363-S366 WeakPolarHBondContact O-CB 3.5Å; V363-S366 PolarHBondContact O-N 2.83Å; V363-S366 VanDerWaalsContact O-N 3.17Å; V363-E367 PolarHBondContact O-N 3.4Å
364L95.3Very high92Very high0 Ų051.3 Ų51.30%028%0.278CS..Hα-helixtrans-65.2-35.6-179.5-65.8-175.5000112.8L212 L236 L356 K360 S361 E367 L368 L391 A394 L395L212-L364 HydrophobicContact CD1-CD2 3.91Å; L236-L364 HydrophobicContact CD2-CD1 4.38Å; L236-L364 HydrophobicContact CD2-CD2 3.61Å; L356-L364 HydrophobicContact CD1-CD1 4.12Å; L356-L364 HydrophobicContact CD2-CD1 4.11Å; K360-L364 HydrophobicContact CG-CD1 4.2Å; K360-L364 HydrophobicContact CG-CG 4.37Å; K360-L364 VanDerWaalsContact O-CG 3.3Å; K360-L364 WeakPolarHBondContact O-CG 3.41Å; K360-L364 PolarHBondContact O-N 3.02Å; S361-L364 PolarHBondContact O-N 3.11Å; L364-E367 PolarHBondContact O-N 2.76Å; L364-L368 WeakPolarHBondContact O-CB 3.11Å; L364-L368 PolarHBondContact O-N 3.22Å; L364-L391 HydrophobicContact CB-CD2 4.3Å; L364-L391 HydrophobicContact CD2-CD2 3.79Å; L364-A394 HydrophobicContact CD1-CB 4.1Å; L364-L395 HydrophobicContact CB-CD1 4.43Å; L364-L395 HydrophobicContact CB-CD2 3.81Å; L364-L395 HydrophobicContact CB-CG 4.07Å
365Q96.8Very high93.1Very high59 Ų5952.2 Ų52.228%0.27628%0.28SS..Hα-helixtrans-67.4-41.5173.9-171.368.352.500110.9S361 T362 V363 E367 L368 E369 L395 Y400S361-Q365 WeakPolarHBondContact O-CB 3.28Å; S361-Q365 PolarHBondContact O-N 3.24Å; T362-Q365 PolarHBondContact O-N 2.92Å; V363-Q365 VanDerWaalsContact C-N 3.34Å; V363-Q365 PolarHBondContact O-N 3.37Å; Q365-E367 VanDerWaalsContact C-N 3.33Å; Q365-E367 PolarHBondContact O-N 3.39Å; Q365-L368 WeakPolarHBondContact O-CB 3.22Å; Q365-L368 PolarHBondContact O-N 3.24Å; Q365-E369 PolarHBondContact NE2-OE1 3.42Å; Q365-E369 PolarHBondContact O-N 3.38Å; Q365-L395 HydrophobicContact CB-CD1 4.46Å; Q365-L395 HydrophobicContact CB-CD2 4.3Å; Q365-Y400 PolarHBondContact NE2-OH 3.49Å; Q365-Y400 PolarHBondContact OE1-OH 3.3Å
366S96.1Very high94.2Very high67 Ų6753.7 Ų53.747%0.46929%0.287SS..Hα-helixtrans-61.6-41.2174.7-172.60000112.1T362 V363 L368 S370T362-S366 WeakPolarHBondContact O-CB 3.22Å; T362-S366 PolarHBondContact O-N 2.85Å; V363-S366 WeakPolarHBondContact O-CB 3.5Å; V363-S366 PolarHBondContact O-N 2.83Å; V363-S366 VanDerWaalsContact O-N 3.17Å; S366-L368 VanDerWaalsContact C-N 3.33Å; S366-S370 WeakPolarHBondContact O-CB 3.24Å; S366-S370 PolarHBondContact O-N 2.65Å; S366-S370 PolarHBondContact O-OG 2.91Å
367E96.7Very high94.9Very high0 Ų058.2 Ų58.20%031%0.31CS..Hα-helixtrans-62.8-40.3174-75.8-175.3178.300111.7L212 H232 V363 L364 Q365 S370 C371 L391L212-E367 WeakPolarHBondContact CB-OE1 3.29Å; H232-E367 IonicContact CD2-OE2 3.71Å; H232-E367 IonicContact CE1-OE2 3.8Å; H232-E367 IonicContact NE2-OE1 2.89Å; H232-E367 IonicContact NE2-OE2 3.14Å; H232-E367 PolarHBondContact NE2-OE2 3.4Å; V363-E367 PolarHBondContact O-N 3.4Å; L364-E367 PolarHBondContact O-N 2.76Å; Q365-E367 VanDerWaalsContact C-N 3.33Å; Q365-E367 PolarHBondContact O-N 3.39Å; E367-S370 PolarHBondContact O-N 2.96Å; E367-C371 WeakPolarHBondContact O-CB 3.4Å; E367-C371 PolarHBondContact O-N 2.98Å; E367-C371 PolarHBondContact O-SG 2.99Å; E367-L391 HydrophobicContact CB-CD1 3.92Å; E367-L391 HydrophobicContact CB-CD2 4.27Å
368L98.1Very high95.4Very high0 Ų059.7 Ų59.70%031%0.314CS..Hα-helixtrans-61.8-47.9178.8175.559000111.1L364 Q365 S366 C371 K372 I388 L391 M392 L395 Y400L364-L368 WeakPolarHBondContact O-CB 3.11Å; L364-L368 PolarHBondContact O-N 3.22Å; Q365-L368 WeakPolarHBondContact O-CB 3.22Å; Q365-L368 PolarHBondContact O-N 3.24Å; S366-L368 VanDerWaalsContact C-N 3.33Å; L368-C371 PolarHBondContact O-N 2.94Å; L368-K372 WeakPolarHBondContact O-CG 3.24Å; L368-K372 PolarHBondContact O-N 2.77Å; L368-I388 HydrophobicContact CD1-CB 4.25Å; L368-I388 HydrophobicContact CD1-CG1 4.35Å; L368-I388 HydrophobicContact CD1-CG2 3.78Å; L368-L391 HydrophobicContact CB-CB 4.21Å; L368-L391 HydrophobicContact CB-CD1 4.21Å; L368-L391 HydrophobicContact CD1-CB 4.16Å; L368-M392 HydrophobicContact CD1-CG 3.98Å; L368-M392 HydrophobicContact CD2-CG 3.87Å; L368-L395 HydrophobicContact CB-CD1 4.23Å; L368-L395 HydrophobicContact CD2-CD1 3.72Å; L368-Y400 HydrophobicContact CD2-CE1 4.35Å; L368-Y400 HydrophobicContact CD2-CE2 4.36Å
369E97.9Very high95.7Very high82 Ų8258.1 Ų58.138%0.38331%0.306SS..Hα-helixtrans-63.2-43.8176.7-60.8-46132.600111.4Q365 C371 K372 E373Q365-E369 PolarHBondContact NE2-OE1 3.42Å; Q365-E369 PolarHBondContact O-N 3.38Å; E369-C371 VanDerWaalsContact C-N 3.3Å; E369-C371 PolarHBondContact O-N 3.1Å; E369-K372 WeakPolarHBondContact O-CB 3.09Å; E369-K372 PolarHBondContact O-N 2.75Å; E369-K372 VanDerWaalsContact O-N 3.08Å; E369-E373 PolarHBondContact O-N 3.07Å
370S96.8Very high96.1Very high28 Ų2860.2 Ų60.220%0.19632%0.316CS..Hα-helixtrans-61.9-38.1177.6-53.10000111.9F220 S366 E367 E373 L374F220-S370 WeakPolarHBondContact CE1-O 3.29Å; S366-S370 WeakPolarHBondContact O-CB 3.24Å; S366-S370 PolarHBondContact O-N 2.65Å; S366-S370 PolarHBondContact O-OG 2.91Å; E367-S370 PolarHBondContact O-N 2.96Å; S370-E373 PolarHBondContact O-N 2.64Å; S370-L374 PolarHBondContact O-N 2.96Å
371C97.9Very high96.5Very high0 Ų059.3 Ų59.30%031%0.313CS..Hα-helixtrans-67.8-37.1175.4-70.60000111.6E367 L368 E369 E373 L374 Q375 C384 I388E367-C371 WeakPolarHBondContact O-CB 3.4Å; E367-C371 PolarHBondContact O-N 2.98Å; E367-C371 PolarHBondContact O-SG 2.99Å; L368-C371 PolarHBondContact O-N 2.94Å; E369-C371 VanDerWaalsContact C-N 3.3Å; E369-C371 PolarHBondContact O-N 3.1Å; C371-E373 VanDerWaalsContact C-N 3.34Å; C371-L374 PolarHBondContact O-N 3.31Å; C371-Q375 PolarHBondContact O-N 3.17Å; C371-C384 PolarHBondContact O-SG 3.41Å; C371-I388 HydrophobicContact CB-CD1 4.12Å; C371-I388 HydrophobicContact CB-CG1 3.54Å
372K98.1Very high96.8Very high36 Ų3659.7 Ų59.716%0.15731%0.308CS..Hα-helixtrans-63.2-40.9174.4-72.3174.5172.6-175.30111.5L368 E369 L374 Q375 E376 I388 E403L368-K372 WeakPolarHBondContact O-CG 3.24Å; L368-K372 PolarHBondContact O-N 2.77Å; E369-K372 WeakPolarHBondContact O-CB 3.09Å; E369-K372 PolarHBondContact O-N 2.75Å; E369-K372 VanDerWaalsContact O-N 3.08Å; K372-L374 PolarHBondContact O-N 3.18Å; K372-Q375 WeakPolarHBondContact O-CB 3.47Å; K372-Q375 PolarHBondContact O-N 3.11Å; K372-E376 PolarHBondContact O-N 3.45Å; K372-I388 HydrophobicContact CG-CD1 4.19Å; K372-E403 WeakPolarHBondContact CE-OE1 3.44Å; K372-E403 IonicContact NZ-OE1 2.8Å; K372-E403 PolarHBondContact NZ-OE1 2.88Å; K372-E403 IonicContact NZ-OE2 3.35Å
373E97.6Very high97Very high127 Ų12757.3 Ų57.359%0.59329%0.289SS*.Hα-helixtrans-61.2-43.4172.4-67.1176.5-179.200111.7E369 S370 C371 Q375 E376 L377E369-E373 PolarHBondContact O-N 3.07Å; S370-E373 PolarHBondContact O-N 2.64Å; C371-E373 VanDerWaalsContact C-N 3.34Å; E373-Q375 VanDerWaalsContact C-N 3.31Å; E373-Q375 PolarHBondContact O-N 3.17Å; E373-E376 WeakPolarHBondContact O-CB 2.96Å; E373-E376 PolarHBondContact O-N 3.07Å; E373-E376 VanDerWaalsContact O-N 3.15Å; E373-L377 PolarHBondContact O-N 3.35Å
374L96.6Very high97.2Very high10 Ų1055 Ų555%0.05228%0.276CS..Hα-helixtrans-63.3-36175.4-179.262.1000112.5F220 P223 W229 S370 C371 K372 E376 L377 E378 C384F220-L374 HydrophobicContact CD1-CD2 4.14Å; F220-L374 HydrophobicContact CE1-CB 3.88Å; F220-L374 HydrophobicContact CE1-CD2 3.98Å; F220-L374 HydrophobicContact CE1-CG 4.46Å; P223-L374 HydrophobicContact CB-CD1 4.27Å; P223-L374 HydrophobicContact CB-CD2 4.22Å; P223-L374 HydrophobicContact CG-CD1 3.85Å; P223-L374 HydrophobicContact CG-CD2 4.32Å; W229-L374 HydrophobicContact CH2-CD2 3.97Å; W229-L374 HydrophobicContact CZ2-CD2 3.99Å; S370-L374 PolarHBondContact O-N 2.96Å; C371-L374 PolarHBondContact O-N 3.31Å; K372-L374 PolarHBondContact O-N 3.18Å; L374-E376 VanDerWaalsContact C-N 3.28Å; L374-E376 PolarHBondContact O-N 2.87Å; L374-L377 PolarHBondContact O-N 2.7Å; L374-E378 HydrophobicContact CD1-CG 4.46Å; L374-E378 PolarHBondContact O-N 2.94Å; L374-C384 HydrophobicContact CD2-CB 4.27Å
375Q97.5Very high97.4Very high41 Ų4155 Ų5519%0.19228%0.276CS..Hα-helixtrans-62.1-36.1174.5-175-147.7-19.900111.7C371 K372 E373 L377 E378 P379 L385 I388 Y407C371-Q375 PolarHBondContact O-N 3.17Å; K372-Q375 WeakPolarHBondContact O-CB 3.47Å; K372-Q375 PolarHBondContact O-N 3.11Å; E373-Q375 VanDerWaalsContact C-N 3.31Å; E373-Q375 PolarHBondContact O-N 3.17Å; Q375-L377 VanDerWaalsContact C-N 3.29Å; Q375-L377 PolarHBondContact O-N 3.31Å; Q375-E378 CarbonylContact O-C 3.57Å; Q375-E378 VanDerWaalsContact O-C 3.31Å; Q375-P379 WeakPolarHBondContact O-CA 3.29Å; Q375-P379 VanDerWaalsContact O-N 3.09Å; Q375-L385 HydrophobicContact CG-CD2 3.79Å; Q375-I388 HydrophobicContact CB-CD1 4.15Å; Q375-Y407 VanDerWaalsContact OE1-CE1 3.24Å; Q375-Y407 PolarHBondContact OE1-OH 3.46Å; Q375-Y407 VanDerWaalsContact OE1-OH 3.08Å
376E97.3Very high97.4Very high165 Ų16553.2 Ų53.277%0.77127%0.268SS*.Hα-helixtrans-64.8-36175.2-65.2-175.6176.500111.9K372 E373 L374K372-E376 PolarHBondContact O-N 3.45Å; E373-E376 WeakPolarHBondContact O-CB 2.96Å; E373-E376 PolarHBondContact O-N 3.07Å; E373-E376 VanDerWaalsContact O-N 3.15Å; L374-E376 VanDerWaalsContact C-N 3.28Å; L374-E376 PolarHBondContact O-N 2.87Å
377L96.8Very high97.5Very high141 Ų14150.2 Ų50.274%0.73825%0.247SC*.Hα-helixtrans-76.3-41.5177.3-62.6173.9000112.4E373 L374 Q375E373-L377 PolarHBondContact O-N 3.35Å; L374-L377 PolarHBondContact O-N 2.7Å; Q375-L377 VanDerWaalsContact C-N 3.29Å; Q375-L377 PolarHBondContact O-N 3.31Å
378E96.6Very high97.6Very high60 Ų6050.2 Ų50.228%0.2825%0.247SC..  trans-127.775.6-177.7-62.6-168.6-17900111.5P223 L374 Q375 E380 N381P223-E378 VanDerWaalsContact CB-OE2 3.27Å; P223-E378 WeakPolarHBondContact CB-OE2 3.48Å; L374-E378 HydrophobicContact CD1-CG 4.46Å; L374-E378 PolarHBondContact O-N 2.94Å; Q375-E378 CarbonylContact O-C 3.57Å; Q375-E378 VanDerWaalsContact O-C 3.31Å; E378-E380 PolarHBondContact O-N 3.35Å; E378-E380 VanDerWaalsContact O-N 3.09Å; E378-N381 HydrophobicContact CB-CB 3.88Å; E378-N381 VanDerWaalsContact O-CB 3.32Å; E378-N381 WeakPolarHBondContact O-CB 3.24Å; E378-N381 PolarHBondContact O-N 3.45Å; E378-N381 PolarHBondContact OE2-ND2 2.75Å
379P96.9Very high97.7Very high77 Ų7750.2 Ų50.250%0.525%0.247SC..THydrogen-bonded Turntrans-65.3-19.7-17324.6-35.2000114.2Q375Q375-P379 WeakPolarHBondContact O-CA 3.29Å; Q375-P379 VanDerWaalsContact O-N 3.09Å
380E96.6Very high97.6Very high163 Ų16347.4 Ų47.476%0.76223%0.234SC*.THydrogen-bonded Turntrans-94.34.5177.5-61.9-174.6-161.300113E378 K382 V414E378-E380 PolarHBondContact O-N 3.35Å; E378-E380 VanDerWaalsContact O-N 3.09Å; E380-K382 PolarHBondContact O-N 2.81Å; E380-V414 HydrophobicContact CB-CG1 4.35Å; E380-V414 WeakPolarHBondContact O-CG1 3.37Å
381N97.8Very high97.7Very high7 Ų746 Ų464%0.03722%0.224CC..  trans-73.992.2177.2-166-42.1000110.8P223 E378 W383 C384 L385P223-N381 VanDerWaalsContact CB-ND2 3.35Å; P223-N381 WeakPolarHBondContact CB-ND2 3.49Å; P223-N381 PolarHBondContact O-ND2 2.85Å; E378-N381 HydrophobicContact CB-CB 3.88Å; E378-N381 VanDerWaalsContact O-CB 3.32Å; E378-N381 WeakPolarHBondContact O-CB 3.24Å; E378-N381 PolarHBondContact O-N 3.45Å; E378-N381 PolarHBondContact OE2-ND2 2.75Å; N381-W383 PolarHBondContact O-N 3.4Å; N381-W383 WeakPolarHBondContact OD1-CB 3.35Å; N381-W383 PolarHBondContact OD1-N 2.65Å; N381-C384 HydrophobicContact CB-CB 3.97Å; N381-C384 PolarHBondContact O-N 3.11Å; N381-C384 PolarHBondContact OD1-N 3Å; N381-L385 WeakPolarHBondContact O-CG 3.42Å; N381-L385 PolarHBondContact O-N 3.43Å; N381-L385 VanDerWaalsContact O-N 3.09Å
382K97.9Very high97.7Very high53 Ų5346 Ų4623%0.2322%0.224CC..Hα-helixtrans-56.9-28.6178.461.8176.8175.7129.10114.4E380 L386 L411 V414 D415E380-K382 PolarHBondContact O-N 2.81Å; K382-L386 WeakPolarHBondContact O-CB 3.23Å; K382-L386 PolarHBondContact O-N 3.1Å; K382-L386 VanDerWaalsContact O-N 3.12Å; K382-L411 HydrophobicContact CB-CD1 3.72Å; K382-L411 WeakPolarHBondContact O-CD1 3.36Å; K382-V414 HydrophobicContact CB-CG1 4.18Å; K382-D415 HydrophobicContact CB-CB 4.5Å
383W97.8Very high97.5Very high40 Ų4045.4 Ų45.415%0.15222%0.221CC..Hα-helixtrans-76.1-46.3-178.2-52.8119000110Q226 W229 F230 N381 L385 L386 T387Q226-W383 HydrophobicContact CB-CD2 4.33Å; Q226-W383 HydrophobicContact CB-CH2 4.04Å; Q226-W383 HydrophobicContact CB-CZ2 3.37Å; Q226-W383 HydrophobicContact CG-CZ2 4.37Å; W229-W383 HydrophobicContact CB-CB 4.02Å; W229-W383 HydrophobicContact CB-CG 4.44Å; W229-W383 AromaticContact CD1-CD1 3.82Å; W229-W383 AromaticContact CD1-CG 3.63Å; W229-W383 HydrophobicContact CD2-CB 3.71Å; W229-W383 HydrophobicContact CG-CB 3.45Å; W229-W383 VanDerWaalsContact CG-CB 3.45Å; W229-W383 HydrophobicContact CG-CG 4.06Å; F230-W383 HydrophobicContact CD2-CH2 4.44Å; F230-W383 HydrophobicContact CD2-CZ3 4.36Å; F230-W383 HydrophobicContact CE2-CE3 4.42Å; F230-W383 AromaticContact CE2-CH2 3.39Å; F230-W383 HydrophobicContact CE2-CH2 3.39Å; F230-W383 HydrophobicContact CE2-CZ2 4.26Å; F230-W383 AromaticContact CE2-CZ3 3.49Å; F230-W383 HydrophobicContact CE2-CZ3 3.49Å; F230-W383 VanDerWaalsContact CE2-CZ3 3.49Å; F230-W383 AromaticContact CZ-CH2 3.8Å; F230-W383 HydrophobicContact CZ-CH2 3.8Å; F230-W383 AromaticContact CZ-CZ3 3.72Å; F230-W383 HydrophobicContact CZ-CZ3 3.72Å; N381-W383 PolarHBondContact O-N 3.4Å; N381-W383 WeakPolarHBondContact OD1-CB 3.35Å; N381-W383 PolarHBondContact OD1-N 2.65Å; W383-L385 PolarHBondContact O-N 3.23Å; W383-L386 PolarHBondContact O-N 3.15Å; W383-T387 WeakPolarHBondContact O-CB 3.33Å; W383-T387 PolarHBondContact O-N 3.04Å; W383-T387 PolarHBondContact O-OG1 3.07Å
384C98.4Very high97.3Very high0 Ų040.4 Ų40.40%020%0.202CC..Hα-helixtrans-54.9-50.7172.2179.80000111.6W229 C371 L374 N381 L386 T387 I388W229-C384 HydrophobicContact CH2-CB 4.11Å; W229-C384 HydrophobicContact CZ2-CB 4.28Å; C371-C384 PolarHBondContact O-SG 3.41Å; L374-C384 HydrophobicContact CD2-CB 4.27Å; N381-C384 HydrophobicContact CB-CB 3.97Å; N381-C384 PolarHBondContact O-N 3.11Å; N381-C384 PolarHBondContact OD1-N 3Å; C384-L386 VanDerWaalsContact C-N 3.35Å; C384-L386 PolarHBondContact O-N 3.29Å; C384-T387 PolarHBondContact O-N 3.03Å; C384-T387 VanDerWaalsContact O-N 3.11Å; C384-I388 WeakPolarHBondContact O-CG1 3.42Å; C384-I388 PolarHBondContact O-N 2.91Å
385L98.6Very high97.1Very high0 Ų040.8 Ų40.80%020%0.204CC..Hα-helixtrans-57.8-42.7177.3-71.2170.1000113Q375 N381 W383 I389 Y407 T410 L411 V414Q375-L385 HydrophobicContact CG-CD2 3.79Å; N381-L385 WeakPolarHBondContact O-CG 3.42Å; N381-L385 PolarHBondContact O-N 3.43Å; N381-L385 VanDerWaalsContact O-N 3.09Å; W383-L385 PolarHBondContact O-N 3.23Å; L385-I389 WeakPolarHBondContact O-CG1 3.17Å; L385-I389 PolarHBondContact O-N 3.42Å; L385-Y407 HydrophobicContact CD2-CD1 3.76Å; L385-Y407 HydrophobicContact CD2-CE1 3.99Å; L385-T410 HydrophobicContact CD1-CG2 4.14Å; L385-T410 HydrophobicContact CD2-CG2 4.08Å; L385-L411 HydrophobicContact CB-CB 4.25Å; L385-L411 HydrophobicContact CB-CD1 4.01Å; L385-L411 HydrophobicContact CD1-CB 4.46Å; L385-L411 HydrophobicContact CD1-CD1 4.28Å; L385-V414 HydrophobicContact CD1-CB 4.25Å; L385-V414 HydrophobicContact CD1-CG1 4.38Å; L385-V414 HydrophobicContact CD1-CG2 3.95Å
386L98.5Very high97Very high21 Ų2141.2 Ų41.211%0.1121%0.207CC..Hα-helixtrans-67-41176.2-179.460000111.3K382 W383 C384 I389 L390 L411 L425K382-L386 WeakPolarHBondContact O-CB 3.23Å; K382-L386 PolarHBondContact O-N 3.1Å; K382-L386 VanDerWaalsContact O-N 3.12Å; W383-L386 PolarHBondContact O-N 3.15Å; C384-L386 VanDerWaalsContact C-N 3.35Å; C384-L386 PolarHBondContact O-N 3.29Å; L386-I389 WeakPolarHBondContact O-CB 3.44Å; L386-I389 PolarHBondContact O-N 2.85Å; L386-L390 HydrophobicContact CD1-CG 4.48Å; L386-L390 HydrophobicContact CG-CD1 4.16Å; L386-L390 HydrophobicContact CG-CG 4.48Å; L386-L390 VanDerWaalsContact O-CG 3.3Å; L386-L390 WeakPolarHBondContact O-CG 3.37Å; L386-L390 PolarHBondContact O-N 3.1Å; L386-L411 HydrophobicContact CB-CD2 3.83Å; L386-L411 HydrophobicContact CD1-CD2 4.06Å; L386-L425 HydrophobicContact CD1-CD2 4.13Å
387T98.3Very high96.9Very high4 Ų433.5 Ų33.53%0.02517%0.171CC..Hα-helixtrans-64.6-39.7178.7-60.50000111.7W229 H232 W383 C384 I389 L390 L391W229-T387 HydrophobicContact CE3-CG2 4.18Å; W229-T387 HydrophobicContact CZ3-CG2 3.9Å; W229-T387 WeakPolarHBondContact CZ3-OG1 3.38Å; H232-T387 VanDerWaalsContact CE1-CG2 3.45Å; H232-T387 WeakPolarHBondContact CE1-CG2 3.47Å; W383-T387 WeakPolarHBondContact O-CB 3.33Å; W383-T387 PolarHBondContact O-N 3.04Å; W383-T387 PolarHBondContact O-OG1 3.07Å; C384-T387 PolarHBondContact O-N 3.03Å; C384-T387 VanDerWaalsContact O-N 3.11Å; T387-I389 VanDerWaalsContact C-N 3.31Å; T387-I389 PolarHBondContact O-N 2.89Å; T387-L390 PolarHBondContact O-N 3.01Å; T387-L390 VanDerWaalsContact O-N 3.08Å; T387-L391 HydrophobicContact CG2-CD1 3.86Å; T387-L391 HydrophobicContact CG2-CG 4.16Å; T387-L391 WeakPolarHBondContact O-CB 3.32Å; T387-L391 WeakPolarHBondContact O-CG 3.44Å; T387-L391 PolarHBondContact O-N 3.4Å
388I98.6Very high96.8Very high0 Ų029.9 Ų29.90%015%0.152CC..Hα-helixtrans-55-47.4172.2-71.5166.6000110.8L368 C371 K372 Q375 C384 L390 L391 M392 Y407L368-I388 HydrophobicContact CD1-CB 4.25Å; L368-I388 HydrophobicContact CD1-CG1 4.35Å; L368-I388 HydrophobicContact CD1-CG2 3.78Å; C371-I388 HydrophobicContact CB-CD1 4.12Å; C371-I388 HydrophobicContact CB-CG1 3.54Å; K372-I388 HydrophobicContact CG-CD1 4.19Å; Q375-I388 HydrophobicContact CB-CD1 4.15Å; C384-I388 WeakPolarHBondContact O-CG1 3.42Å; C384-I388 PolarHBondContact O-N 2.91Å; I388-L390 VanDerWaalsContact C-N 3.33Å; I388-L390 PolarHBondContact O-N 2.81Å; I388-L391 PolarHBondContact O-N 3.17Å; I388-M392 HydrophobicContact CG2-CE 3.76Å; I388-M392 HydrophobicContact CG2-SD 4.4Å; I388-M392 WeakPolarHBondContact O-CB 3.14Å; I388-M392 WeakPolarHBondContact O-CG 3.2Å; I388-M392 PolarHBondContact O-N 3.18Å; I388-Y407 HydrophobicContact CB-CD1 4.4Å; I388-Y407 HydrophobicContact CB-CE1 4.28Å; I388-Y407 HydrophobicContact CD1-CD1 4.45Å; I388-Y407 HydrophobicContact CD1-CE1 3.72Å; I388-Y407 HydrophobicContact CG2-CD1 3.87Å; I388-Y407 HydrophobicContact CG2-CD2 4Å; I388-Y407 HydrophobicContact CG2-CE1 3.65Å; I388-Y407 HydrophobicContact CG2-CE2 3.8Å; I388-Y407 HydrophobicContact CG2-CG 4.05Å
389I98.6Very high96.8Very high0 Ų032.9 Ų32.90%017%0.17CC..Hα-helixtrans-58.8-44.2175.8-69164.9000111.4L385 L386 T387 M392 R393 T404 Y407 F408 L411 F429L385-I389 WeakPolarHBondContact O-CG1 3.17Å; L385-I389 PolarHBondContact O-N 3.42Å; L386-I389 WeakPolarHBondContact O-CB 3.44Å; L386-I389 PolarHBondContact O-N 2.85Å; T387-I389 VanDerWaalsContact C-N 3.31Å; T387-I389 PolarHBondContact O-N 2.89Å; I389-M392 HydrophobicContact CG1-CE 4.37Å; I389-R393 WeakPolarHBondContact O-CB 3.31Å; I389-R393 PolarHBondContact O-N 2.59Å; I389-T404 HydrophobicContact CG2-CG2 4.14Å; I389-Y407 HydrophobicContact CG1-CG 4.43Å; I389-F408 HydrophobicContact CD1-CD1 4Å; I389-F408 HydrophobicContact CD1-CD2 4.24Å; I389-F408 HydrophobicContact CD1-CE1 4.17Å; I389-F408 HydrophobicContact CD1-CE2 4.4Å; I389-F408 HydrophobicContact CD1-CG 4.03Å; I389-F408 HydrophobicContact CD1-CZ 4.37Å; I389-F408 HydrophobicContact CG2-CD2 4.49Å; I389-F408 HydrophobicContact CG2-CE1 4.46Å; I389-F408 HydrophobicContact CG2-CE2 3.75Å; I389-F408 HydrophobicContact CG2-CZ 3.73Å; I389-L411 HydrophobicContact CD1-CD2 4.01Å; I389-F429 HydrophobicContact CG2-CD2 4.3Å; I389-F429 HydrophobicContact CG2-CE2 3.72Å
390L97.5Very high96.9Very high22 Ų2230.7 Ų30.712%0.11515%0.152CC..Hα-helixtrans-70-36.7-178.3-65.1172.9000112.4R233 L236 L386 T387 I388 R393 A394 F429R233-L390 HydrophobicContact CB-CD1 4.18Å; R233-L390 HydrophobicContact CG-CD1 3.77Å; L236-L390 HydrophobicContact CD1-CB 4.02Å; L386-L390 HydrophobicContact CD1-CG 4.48Å; L386-L390 HydrophobicContact CG-CD1 4.16Å; L386-L390 HydrophobicContact CG-CG 4.48Å; L386-L390 VanDerWaalsContact O-CG 3.3Å; L386-L390 WeakPolarHBondContact O-CG 3.37Å; L386-L390 PolarHBondContact O-N 3.1Å; T387-L390 PolarHBondContact O-N 3.01Å; T387-L390 VanDerWaalsContact O-N 3.08Å; I388-L390 VanDerWaalsContact C-N 3.33Å; I388-L390 PolarHBondContact O-N 2.81Å; L390-R393 WeakPolarHBondContact O-CB 3.48Å; L390-R393 PolarHBondContact O-N 2.63Å; L390-A394 WeakPolarHBondContact O-CB 3.16Å; L390-A394 PolarHBondContact O-N 3.23Å; L390-F429 HydrophobicContact CD2-CZ 4.19Å
391L97.2Very high96.9Very high0 Ų024.6 Ų24.60%012%0.123CC..Hα-helixtrans-67.2-46.3175-73.2169.7000111.1L236 L364 E367 L368 T387 I388 R393 A394 L395L236-L391 HydrophobicContact CD1-CD2 3.98Å; L236-L391 HydrophobicContact CD1-CG 4.34Å; L236-L391 HydrophobicContact CD2-CD2 4.28Å; L364-L391 HydrophobicContact CB-CD2 4.3Å; L364-L391 HydrophobicContact CD2-CD2 3.79Å; E367-L391 HydrophobicContact CB-CD1 3.92Å; E367-L391 HydrophobicContact CB-CD2 4.27Å; L368-L391 HydrophobicContact CB-CB 4.21Å; L368-L391 HydrophobicContact CB-CD1 4.21Å; L368-L391 HydrophobicContact CD1-CB 4.16Å; T387-L391 HydrophobicContact CG2-CD1 3.86Å; T387-L391 HydrophobicContact CG2-CG 4.16Å; T387-L391 WeakPolarHBondContact O-CB 3.32Å; T387-L391 WeakPolarHBondContact O-CG 3.44Å; T387-L391 PolarHBondContact O-N 3.4Å; I388-L391 PolarHBondContact O-N 3.17Å; L391-R393 PolarHBondContact O-N 2.93Å; L391-A394 PolarHBondContact O-N 3.35Å; L391-A394 VanDerWaalsContact O-N 3.09Å; L391-L395 WeakPolarHBondContact O-CB 3.43Å; L391-L395 WeakPolarHBondContact O-CG 3.42Å; L391-L395 PolarHBondContact O-N 3.36Å
392M97.8Very high97Very high0 Ų032.5 Ų32.50%016%0.157CC..Hα-helixtrans-57.3-38.9172.5-75.4-172-59.500112L368 I388 I389 D396 Y400 E403 Y407L368-M392 HydrophobicContact CD1-CG 3.98Å; L368-M392 HydrophobicContact CD2-CG 3.87Å; I388-M392 HydrophobicContact CG2-CE 3.76Å; I388-M392 HydrophobicContact CG2-SD 4.4Å; I388-M392 WeakPolarHBondContact O-CB 3.14Å; I388-M392 WeakPolarHBondContact O-CG 3.2Å; I388-M392 PolarHBondContact O-N 3.18Å; I389-M392 HydrophobicContact CG1-CE 4.37Å; M392-D396 CarbonylContact O-C 3.31Å; M392-D396 VanDerWaalsContact O-C 3.26Å; M392-D396 PolarHBondContact O-N 3.31Å; M392-Y400 HydrophobicContact CB-CD2 3.95Å; M392-Y400 HydrophobicContact CB-CG 3.83Å; M392-Y400 HydrophobicContact CG-CD1 3.87Å; M392-Y400 HydrophobicContact CG-CD2 3.98Å; M392-Y400 HydrophobicContact CG-CE1 4.4Å; M392-Y400 HydrophobicContact CG-CG 3.64Å; M392-Y400 HydrophobicContact SD-CD1 3.8Å; M392-Y400 HydrophobicContact SD-CG 3.92Å; M392-E403 HydrophobicContact CE-CG 4.32Å; M392-E403 HydrophobicContact SD-CB 3.96Å; M392-E403 HydrophobicContact SD-CG 3.63Å; M392-Y407 HydrophobicContact CE-CD2 3.69Å; M392-Y407 HydrophobicContact CE-CE2 4.25Å; M392-Y407 HydrophobicContact CE-CG 4.27Å; M392-Y407 HydrophobicContact SD-CD2 4.49Å
393R94.9Very high97Very high23 Ų2332.3 Ų32.39%0.08716%0.157CC..Hα-helixtrans-63.2-43.9174.2-172.778.9-164.9155.514.4112.2I389 L390 L391 P397 F429 E432 N433I389-R393 WeakPolarHBondContact O-CB 3.31Å; I389-R393 PolarHBondContact O-N 2.59Å; L390-R393 WeakPolarHBondContact O-CB 3.48Å; L390-R393 PolarHBondContact O-N 2.63Å; L391-R393 PolarHBondContact O-N 2.93Å; R393-P397 VanDerWaalsContact NH1-CB 3.26Å; R393-F429 HydrophobicContact CB-CE2 4.34Å; R393-F429 HydrophobicContact CB-CZ 4.46Å; R393-F429 HydrophobicContact CG-CE1 4.24Å; R393-F429 HydrophobicContact CG-CE2 4.23Å; R393-F429 HydrophobicContact CG-CZ 4.03Å; R393-F429 PolarHBondContact NH1-O 3.08Å; R393-E432 IonicContact CZ-OE2 2.72Å; R393-E432 IonicContact NE-OE2 2.63Å; R393-E432 PolarHBondContact NE-OE2 3.2Å; R393-E432 VanDerWaalsContact NE-OE2 3.1Å; R393-E432 IonicContact NH2-OE2 3.8Å; R393-E432 PolarHBondContact NH2-OE2 3.4Å; R393-N433 PolarHBondContact NH1-OD1 2.94Å; R393-N433 PolarHBondContact NH2-OD1 3.02Å
394A92.9Very high97Very high22 Ų2231 Ų3118%0.18215%0.154CC..Hα-helixtrans-68.4-41.7-178.800000111.8L356 L364 L390 L391L356-A394 WeakPolarHBondContact CD1-O 3.47Å; L364-A394 HydrophobicContact CD1-CB 4.1Å; L390-A394 WeakPolarHBondContact O-CB 3.16Å; L390-A394 PolarHBondContact O-N 3.23Å; L391-A394 PolarHBondContact O-N 3.35Å; L391-A394 VanDerWaalsContact O-N 3.09Å
395L93.6Very high97.1Very high18 Ų1833.5 Ų33.59%0.09417%0.167CC..Hα-helixtrans-71.8-69.2-179.1-73161000112L356 L364 Q365 L368 L391 Y400L356-L395 HydrophobicContact CD1-CD2 4.21Å; L364-L395 HydrophobicContact CB-CD1 4.43Å; L364-L395 HydrophobicContact CB-CD2 3.81Å; L364-L395 HydrophobicContact CB-CG 4.07Å; Q365-L395 HydrophobicContact CB-CD1 4.46Å; Q365-L395 HydrophobicContact CB-CD2 4.3Å; L368-L395 HydrophobicContact CB-CD1 4.23Å; L368-L395 HydrophobicContact CD2-CD1 3.72Å; L391-L395 WeakPolarHBondContact O-CB 3.43Å; L391-L395 WeakPolarHBondContact O-CG 3.42Å; L391-L395 PolarHBondContact O-N 3.36Å; L395-Y400 HydrophobicContact CB-CE2 4.1Å; L395-Y400 HydrophobicContact CD1-CE2 4.48Å
396D94.1Very high97.1Very high50 Ų5039.3 Ų39.327%0.26719%0.194SC..  trans-155.996.8-179.4-166.4-34.3000111.7R353 M392 L398 L399 Y400R353-D396 IonicContact NH1-OD1 3.66Å; M392-D396 CarbonylContact O-C 3.31Å; M392-D396 VanDerWaalsContact O-C 3.26Å; M392-D396 PolarHBondContact O-N 3.31Å; D396-L398 VanDerWaalsContact C-N 3.26Å; D396-L398 PolarHBondContact O-N 3.12Å; D396-L398 PolarHBondContact OD1-N 2.81Å; D396-L399 HydrophobicContact CB-CB 3.79Å; D396-L399 HydrophobicContact CB-CD2 4.38Å; D396-L399 VanDerWaalsContact CG-CB 3.44Å; D396-L399 PolarHBondContact O-N 3.44Å; D396-L399 PolarHBondContact OD1-N 3.38Å; D396-Y400 HydrophobicContact CB-CD2 4.3Å; D396-Y400 WeakPolarHBondContact O-CB 3.42Å; D396-Y400 WeakPolarHBondContact O-CD2 3.34Å; D396-Y400 PolarHBondContact O-N 2.98Å
397P95.1Very high97.1Very high2 Ų239.5 Ų39.51%0.01319%0.193CC..THydrogen-bonded Turntrans-71.4-19.4-174.229.8-36000113.9R393 E401 N433 L436R393-P397 VanDerWaalsContact NH1-CB 3.26Å; P397-E401 PolarHBondContact O-N 2.92Å; P397-N433 WeakPolarHBondContact CB-OD1 3.39Å; P397-N433 PolarHBondContact O-ND2 2.92Å; P397-L436 HydrophobicContact CG-CD1 4.22Å
398L95.4Very high97.1Very high65 Ų6539.7 Ų39.734%0.3419%0.194SC..THydrogen-bonded Turntrans-85.4-41.9178.8-63.8-176.2000110.6D396 N433 L436 K437D396-L398 VanDerWaalsContact C-N 3.26Å; D396-L398 PolarHBondContact O-N 3.12Å; D396-L398 PolarHBondContact OD1-N 2.81Å; L398-N433 HydrophobicContact CD2-CB 3.82Å; L398-L436 HydrophobicContact CD1-CB 4.22Å; L398-L436 HydrophobicContact CD2-CB 4.38Å; L398-L436 HydrophobicContact CD2-CD1 4.39Å; L398-L436 HydrophobicContact CG-CD1 4.35Å; L398-K437 HydrophobicContact CD2-CG 4.2Å
399L96.8Very high97.1Very high124 Ų12446.3 Ų46.365%0.64923%0.225SC*.THydrogen-bonded Turntrans-61.3-48.1174.1179.163.7000111.2D396 E401D396-L399 HydrophobicContact CB-CB 3.79Å; D396-L399 HydrophobicContact CB-CD2 4.38Å; D396-L399 VanDerWaalsContact CG-CB 3.44Å; D396-L399 PolarHBondContact O-N 3.44Å; D396-L399 PolarHBondContact OD1-N 3.38Å; L399-E401 VanDerWaalsContact C-N 3.32Å; L399-E401 PolarHBondContact O-N 2.8Å
400Y98.2Very high97.1Very high31 Ų3149.2 Ų49.212%0.12224%0.242CC..THydrogen-bonded Turntrans-87.510.5-175.8-68-66000114.1Q365 L368 M392 L395 D396 K402 E403 T404Q365-Y400 PolarHBondContact NE2-OH 3.49Å; Q365-Y400 PolarHBondContact OE1-OH 3.3Å; L368-Y400 HydrophobicContact CD2-CE1 4.35Å; L368-Y400 HydrophobicContact CD2-CE2 4.36Å; M392-Y400 HydrophobicContact CB-CD2 3.95Å; M392-Y400 HydrophobicContact CB-CG 3.83Å; M392-Y400 HydrophobicContact CG-CD1 3.87Å; M392-Y400 HydrophobicContact CG-CD2 3.98Å; M392-Y400 HydrophobicContact CG-CE1 4.4Å; M392-Y400 HydrophobicContact CG-CG 3.64Å; M392-Y400 HydrophobicContact SD-CD1 3.8Å; M392-Y400 HydrophobicContact SD-CG 3.92Å; L395-Y400 HydrophobicContact CB-CE2 4.1Å; L395-Y400 HydrophobicContact CD1-CE2 4.48Å; D396-Y400 HydrophobicContact CB-CD2 4.3Å; D396-Y400 WeakPolarHBondContact O-CB 3.42Å; D396-Y400 WeakPolarHBondContact O-CD2 3.34Å; D396-Y400 PolarHBondContact O-N 2.98Å; Y400-K402 PolarHBondContact O-N 2.84Å; Y400-E403 WeakPolarHBondContact CD1-OE2 3.24Å; Y400-E403 PolarHBondContact O-N 2.81Å; Y400-T404 VanDerWaalsContact O-CB 3.25Å; Y400-T404 WeakPolarHBondContact O-CB 3.34Å; Y400-T404 PolarHBondContact O-N 2.94Å; Y400-T404 PolarHBondContact O-OG1 3.31Å
401E97.9Very high97.1Very high35 Ų3548.3 Ų48.316%0.16424%0.237CC..Hα-helixtrans-55.7-47-173.4-178.4172.1115.400112.6P397 L399 L405 L430 N433 K437P397-E401 PolarHBondContact O-N 2.92Å; L399-E401 VanDerWaalsContact C-N 3.32Å; L399-E401 PolarHBondContact O-N 2.8Å; E401-L405 WeakPolarHBondContact O-CG 3.45Å; E401-L405 PolarHBondContact O-N 3.47Å; E401-L405 VanDerWaalsContact O-N 3.15Å; E401-L430 HydrophobicContact CG-CD2 4.37Å; E401-N433 WeakPolarHBondContact OE2-CB 3.31Å; E401-N433 PolarHBondContact OE2-ND2 2.93Å; E401-K437 IonicContact OE1-NZ 3.43Å; E401-K437 PolarHBondContact OE1-NZ 2.93Å; E401-K437 WeakPolarHBondContact OE2-CE 3.42Å; E401-K437 IonicContact OE2-NZ 3.66Å; E401-K437 PolarHBondContact OE2-NZ 2.85Å
402K98.3Very high97.2Very high172 Ų17251.3 Ų51.375%0.74825%0.251SS*.Hα-helixtrans-66.1-44.7-179-69.6-176.5-179176.50112.2Y400 L405 Q406Y400-K402 PolarHBondContact O-N 2.84Å; K402-L405 PolarHBondContact O-N 3.02Å; K402-Q406 PolarHBondContact O-N 2.87Å
403E98.6Very high97.2Very high50 Ų5055 Ų5523%0.23428%0.282CS..Hα-helixtrans-64.9-45.2179.4-173.8172.3-17700110.1K372 M392 Y400 L405 Q406 Y407K372-E403 WeakPolarHBondContact CE-OE1 3.44Å; K372-E403 IonicContact NZ-OE1 2.8Å; K372-E403 PolarHBondContact NZ-OE1 2.88Å; K372-E403 IonicContact NZ-OE2 3.35Å; M392-E403 HydrophobicContact CE-CG 4.32Å; M392-E403 HydrophobicContact SD-CB 3.96Å; M392-E403 HydrophobicContact SD-CG 3.63Å; Y400-E403 WeakPolarHBondContact CD1-OE2 3.24Å; Y400-E403 PolarHBondContact O-N 2.81Å; E403-L405 VanDerWaalsContact C-N 3.27Å; E403-L405 PolarHBondContact O-N 3.35Å; E403-Q406 WeakPolarHBondContact O-CA 3.47Å; E403-Q406 WeakPolarHBondContact O-CB 3.05Å; E403-Q406 PolarHBondContact O-N 3.13Å; E403-Y407 HydrophobicContact CG-CD2 3.72Å; E403-Y407 HydrophobicContact CG-CE2 3.48Å; E403-Y407 VanDerWaalsContact CG-CE2 3.48Å; E403-Y407 VanDerWaalsContact O-CD2 3.31Å; E403-Y407 WeakPolarHBondContact O-CD2 3.37Å; E403-Y407 PolarHBondContact O-N 2.71Å; E403-Y407 WeakPolarHBondContact OE1-CE2 3.36Å
404T98.6Very high97.4Very high13 Ų1356.4 Ų56.48%0.0829%0.292CS..Hα-helixtrans-51.7-44.9173.8-64.10000112.1I389 Y400 Q406 Y407 F408I389-T404 HydrophobicContact CG2-CG2 4.14Å; Y400-T404 VanDerWaalsContact O-CB 3.25Å; Y400-T404 WeakPolarHBondContact O-CB 3.34Å; Y400-T404 PolarHBondContact O-N 2.94Å; Y400-T404 PolarHBondContact O-OG1 3.31Å; T404-Q406 VanDerWaalsContact C-N 3.34Å; T404-Q406 PolarHBondContact O-N 2.94Å; T404-Y407 PolarHBondContact O-N 3.3Å; T404-F408 HydrophobicContact CG2-CD2 3.75Å; T404-F408 HydrophobicContact CG2-CE2 3.56Å; T404-F408 VanDerWaalsContact O-CD2 3.23Å; T404-F408 WeakPolarHBondContact O-CD2 3.38Å; T404-F408 PolarHBondContact O-N 3.08Å
405L98.6Very high97.6Very high52 Ų5256 Ų5627%0.27229%0.287SS..Hα-helixtrans-64.2-37.2177.7-68174.8000112.9E401 K402 E403 F408 Q409 R426 L430E401-L405 WeakPolarHBondContact O-CG 3.45Å; E401-L405 PolarHBondContact O-N 3.47Å; E401-L405 VanDerWaalsContact O-N 3.15Å; K402-L405 PolarHBondContact O-N 3.02Å; E403-L405 VanDerWaalsContact C-N 3.27Å; E403-L405 PolarHBondContact O-N 3.35Å; L405-F408 PolarHBondContact O-N 2.96Å; L405-Q409 WeakPolarHBondContact O-CG 3.09Å; L405-Q409 PolarHBondContact O-N 2.97Å; L405-R426 HydrophobicContact CD2-CG 3.79Å; L405-L430 HydrophobicContact CD1-CD2 4.45Å; L405-L430 HydrophobicContact CD2-CD1 3.95Å; L405-L430 HydrophobicContact CD2-CD2 4.08Å; L405-L430 HydrophobicContact CD2-CG 4.23Å
406Q98.6Very high97.8Very high121 Ų12159.3 Ų59.357%0.56531%0.31SS*.Hα-helixtrans-66-45.4175.2-66.7172.3-8.100110.9K402 E403 T404 F408 Q409 T410K402-Q406 PolarHBondContact O-N 2.87Å; E403-Q406 WeakPolarHBondContact O-CA 3.47Å; E403-Q406 WeakPolarHBondContact O-CB 3.05Å; E403-Q406 PolarHBondContact O-N 3.13Å; T404-Q406 VanDerWaalsContact C-N 3.34Å; T404-Q406 PolarHBondContact O-N 2.94Å; Q406-F408 VanDerWaalsContact C-N 3.33Å; Q406-F408 PolarHBondContact O-N 2.91Å; Q406-Q409 WeakPolarHBondContact O-CB 3.27Å; Q406-Q409 PolarHBondContact O-N 3.44Å; Q406-T410 PolarHBondContact O-N 3.03Å; Q406-T410 PolarHBondContact O-OG1 3.31Å
407Y98.8Very high98Very high26 Ų2664.9 Ų64.910%0.10234%0.336CS..Hα-helixtrans-62.8-37176.9-82.2-82.8000112.8Q375 L385 I388 I389 M392 E403 T404 Q409 T410 L411Q375-Y407 VanDerWaalsContact OE1-CE1 3.24Å; Q375-Y407 PolarHBondContact OE1-OH 3.46Å; Q375-Y407 VanDerWaalsContact OE1-OH 3.08Å; L385-Y407 HydrophobicContact CD2-CD1 3.76Å; L385-Y407 HydrophobicContact CD2-CE1 3.99Å; I388-Y407 HydrophobicContact CB-CD1 4.4Å; I388-Y407 HydrophobicContact CB-CE1 4.28Å; I388-Y407 HydrophobicContact CD1-CD1 4.45Å; I388-Y407 HydrophobicContact CD1-CE1 3.72Å; I388-Y407 HydrophobicContact CG2-CD1 3.87Å; I388-Y407 HydrophobicContact CG2-CD2 4Å; I388-Y407 HydrophobicContact CG2-CE1 3.65Å; I388-Y407 HydrophobicContact CG2-CE2 3.8Å; I388-Y407 HydrophobicContact CG2-CG 4.05Å; I389-Y407 HydrophobicContact CG1-CG 4.43Å; M392-Y407 HydrophobicContact CE-CD2 3.69Å; M392-Y407 HydrophobicContact CE-CE2 4.25Å; M392-Y407 HydrophobicContact CE-CG 4.27Å; M392-Y407 HydrophobicContact SD-CD2 4.49Å; E403-Y407 HydrophobicContact CG-CD2 3.72Å; E403-Y407 HydrophobicContact CG-CE2 3.48Å; E403-Y407 VanDerWaalsContact CG-CE2 3.48Å; E403-Y407 VanDerWaalsContact O-CD2 3.31Å; E403-Y407 WeakPolarHBondContact O-CD2 3.37Å; E403-Y407 PolarHBondContact O-N 2.71Å; E403-Y407 WeakPolarHBondContact OE1-CE2 3.36Å; T404-Y407 PolarHBondContact O-N 3.3Å; Y407-Q409 VanDerWaalsContact C-N 3.3Å; Y407-Q409 PolarHBondContact O-N 2.89Å; Y407-T410 PolarHBondContact O-N 3.29Å; Y407-L411 WeakPolarHBondContact O-CB 3.44Å; Y407-L411 PolarHBondContact O-N 2.95Å
408F98.8Very high98.2Very high7 Ų769.1 Ų69.13%0.03135%0.352CS..Hα-helixtrans-60.8-39172.2-87.8-66.9000112.3I389 T404 L405 Q406 K412 L422 L425 R426 F429I389-F408 HydrophobicContact CD1-CD1 4Å; I389-F408 HydrophobicContact CD1-CD2 4.24Å; I389-F408 HydrophobicContact CD1-CE1 4.17Å; I389-F408 HydrophobicContact CD1-CE2 4.4Å; I389-F408 HydrophobicContact CD1-CG 4.03Å; I389-F408 HydrophobicContact CD1-CZ 4.37Å; I389-F408 HydrophobicContact CG2-CD2 4.49Å; I389-F408 HydrophobicContact CG2-CE1 4.46Å; I389-F408 HydrophobicContact CG2-CE2 3.75Å; I389-F408 HydrophobicContact CG2-CZ 3.73Å; T404-F408 HydrophobicContact CG2-CD2 3.75Å; T404-F408 HydrophobicContact CG2-CE2 3.56Å; T404-F408 VanDerWaalsContact O-CD2 3.23Å; T404-F408 WeakPolarHBondContact O-CD2 3.38Å; T404-F408 PolarHBondContact O-N 3.08Å; L405-F408 PolarHBondContact O-N 2.96Å; Q406-F408 VanDerWaalsContact C-N 3.33Å; Q406-F408 PolarHBondContact O-N 2.91Å; F408-K412 WeakPolarHBondContact O-CB 3.41Å; F408-K412 PolarHBondContact O-N 3.35Å; F408-L422 HydrophobicContact CD1-CB 4.34Å; F408-L422 HydrophobicContact CD1-CD2 4.48Å; F408-L422 HydrophobicContact CE1-CD2 4.47Å; F408-L425 HydrophobicContact CE1-CB 4.21Å; F408-L425 HydrophobicContact CE1-CD2 4.12Å; F408-L425 HydrophobicContact CE1-CG 4.16Å; F408-L425 HydrophobicContact CZ-CB 4.39Å; F408-L425 HydrophobicContact CZ-CD2 4.21Å; F408-L425 HydrophobicContact CZ-CG 4.01Å; F408-R426 HydrophobicContact CD1-CB 4.01Å; F408-R426 HydrophobicContact CD2-CB 3.84Å; F408-R426 HydrophobicContact CD2-CG 3.76Å; F408-R426 HydrophobicContact CE1-CB 4.02Å; F408-R426 HydrophobicContact CE2-CB 3.85Å; F408-R426 HydrophobicContact CE2-CG 4.07Å; F408-R426 HydrophobicContact CG-CB 3.93Å; F408-R426 HydrophobicContact CG-CG 4.1Å; F408-R426 HydrophobicContact CZ-CB 3.94Å; F408-F429 AromaticContact CE2-CD2 3.81Å; F408-F429 HydrophobicContact CE2-CD2 3.81Å; F408-F429 HydrophobicContact CE2-CE2 4.31Å; F408-F429 AromaticContact CZ-CD2 3.81Å; F408-F429 HydrophobicContact CZ-CD2 3.81Å; F408-F429 AromaticContact CZ-CE2 3.98Å; F408-F429 HydrophobicContact CZ-CE2 3.98Å
409Q98.4Very high98.3Very high140 Ų14067 Ų6765%0.65434%0.344SS*.Hα-helixtrans-65.7-47176.6-69.2172.32.400111.2L405 Q406 Y407 K412 A413L405-Q409 WeakPolarHBondContact O-CG 3.09Å; L405-Q409 PolarHBondContact O-N 2.97Å; Q406-Q409 WeakPolarHBondContact O-CB 3.27Å; Q406-Q409 PolarHBondContact O-N 3.44Å; Y407-Q409 VanDerWaalsContact C-N 3.3Å; Y407-Q409 PolarHBondContact O-N 2.89Å; Q409-K412 PolarHBondContact O-N 3.3Å; Q409-A413 PolarHBondContact O-N 2.89Å; Q409-A413 VanDerWaalsContact O-N 3.1Å
410T98.6Very high98.4Very high60 Ų6064.5 Ų64.537%0.36834%0.341SS..Hα-helixtrans-59.8-51.4176.4-56.70000111.2L385 Q406 Y407 K412 A413 V414L385-T410 HydrophobicContact CD1-CG2 4.14Å; L385-T410 HydrophobicContact CD2-CG2 4.08Å; Q406-T410 PolarHBondContact O-N 3.03Å; Q406-T410 PolarHBondContact O-OG1 3.31Å; Y407-T410 PolarHBondContact O-N 3.29Å; T410-K412 VanDerWaalsContact C-N 3.28Å; T410-K412 PolarHBondContact O-N 3.1Å; T410-A413 WeakPolarHBondContact O-CB 3.42Å; T410-A413 PolarHBondContact O-N 3.22Å; T410-V414 WeakPolarHBondContact O-CG2 3.46Å; T410-V414 PolarHBondContact O-N 2.88Å
411L98.7Very high98.4Very high3 Ų367.7 Ų67.72%0.01635%0.353CS..Hα-helixtrans-60.8-38.2179.4178.955000111.7K382 L385 L386 I389 Y407 A413 V414 D415 L422K382-L411 HydrophobicContact CB-CD1 3.72Å; K382-L411 WeakPolarHBondContact O-CD1 3.36Å; L385-L411 HydrophobicContact CB-CB 4.25Å; L385-L411 HydrophobicContact CB-CD1 4.01Å; L385-L411 HydrophobicContact CD1-CB 4.46Å; L385-L411 HydrophobicContact CD1-CD1 4.28Å; L386-L411 HydrophobicContact CB-CD2 3.83Å; L386-L411 HydrophobicContact CD1-CD2 4.06Å; I389-L411 HydrophobicContact CD1-CD2 4.01Å; Y407-L411 WeakPolarHBondContact O-CB 3.44Å; Y407-L411 PolarHBondContact O-N 2.95Å; L411-A413 VanDerWaalsContact C-N 3.3Å; L411-A413 PolarHBondContact O-N 3.29Å; L411-V414 PolarHBondContact O-N 3.18Å; L411-D415 HydrophobicContact CD1-CB 4.24Å; L411-D415 WeakPolarHBondContact O-CA 3.38Å; L411-D415 VanDerWaalsContact O-CB 3.23Å; L411-D415 WeakPolarHBondContact O-CB 3.45Å; L411-D415 PolarHBondContact O-N 2.98Å; L411-L422 HydrophobicContact CB-CD1 4.47Å; L411-L422 HydrophobicContact CD2-CD1 4.34Å; L411-L422 HydrophobicContact CD2-CD2 3.55Å; L411-L422 HydrophobicContact CG-CD1 3.8Å; L411-L422 HydrophobicContact CG-CD2 3.98Å
412K98.4Very high98.5Very high63 Ų6366.2 Ų66.227%0.27435%0.347SS..Hα-helixtrans-65-33.6176-175.1178-170.9176.30112.8F408 Q409 T410 D415 P416 A419 L422 D423F408-K412 WeakPolarHBondContact O-CB 3.41Å; F408-K412 PolarHBondContact O-N 3.35Å; Q409-K412 PolarHBondContact O-N 3.3Å; T410-K412 VanDerWaalsContact C-N 3.28Å; T410-K412 PolarHBondContact O-N 3.1Å; K412-D415 CarbonylContact O-C 3.52Å; K412-P416 WeakPolarHBondContact O-CA 3.41Å; K412-A419 HydrophobicContact CD-CB 4.37Å; K412-A419 HydrophobicContact CG-CB 3.83Å; K412-L422 HydrophobicContact CB-CD1 4.13Å; K412-D423 IonicContact NZ-OD1 3.73Å; K412-D423 PolarHBondContact NZ-OD1 3Å; K412-D423 IonicContact NZ-OD2 3.2Å; K412-D423 PolarHBondContact NZ-OD2 3.48Å
413A98.4Very high98.5Very high79 Ų7958.7 Ų58.765%0.65332%0.315SS*.Hα-helixtrans-73.5-42175.400000112.1Q409 T410 L411 D415Q409-A413 PolarHBondContact O-N 2.89Å; Q409-A413 VanDerWaalsContact O-N 3.1Å; T410-A413 WeakPolarHBondContact O-CB 3.42Å; T410-A413 PolarHBondContact O-N 3.22Å; L411-A413 VanDerWaalsContact C-N 3.3Å; L411-A413 PolarHBondContact O-N 3.29Å; A413-D415 VanDerWaalsContact C-N 3.28Å; A413-D415 PolarHBondContact O-N 3.21Å
414V98.3Very high98.5Very high51 Ų5159.4 Ų59.431%0.30932%0.32SS..Hα-helixtrans-66.8-32.5174.8171.80000111.4E380 K382 L385 T410 L411 P416E380-V414 HydrophobicContact CB-CG1 4.35Å; E380-V414 WeakPolarHBondContact O-CG1 3.37Å; K382-V414 HydrophobicContact CB-CG1 4.18Å; L385-V414 HydrophobicContact CD1-CB 4.25Å; L385-V414 HydrophobicContact CD1-CG1 4.38Å; L385-V414 HydrophobicContact CD1-CG2 3.95Å; T410-V414 WeakPolarHBondContact O-CG2 3.46Å; T410-V414 PolarHBondContact O-N 2.88Å; L411-V414 PolarHBondContact O-N 3.18Å; V414-P416 WeakPolarHBondContact O-CD 3.44Å
415D98.1Very high98.5Very high13 Ų1359.6 Ų59.67%0.0732%0.321CS..  trans-12867.8-174.3-1690.1000113.8K382 L411 K412 A413 M417 R418 A419K382-D415 HydrophobicContact CB-CB 4.5Å; L411-D415 HydrophobicContact CD1-CB 4.24Å; L411-D415 WeakPolarHBondContact O-CA 3.38Å; L411-D415 VanDerWaalsContact O-CB 3.23Å; L411-D415 WeakPolarHBondContact O-CB 3.45Å; L411-D415 PolarHBondContact O-N 2.98Å; K412-D415 CarbonylContact O-C 3.52Å; A413-D415 VanDerWaalsContact C-N 3.28Å; A413-D415 PolarHBondContact O-N 3.21Å; D415-M417 VanDerWaalsContact C-N 3.26Å; D415-M417 PolarHBondContact O-N 3.44Å; D415-R418 PolarHBondContact O-N 3.33Å; D415-R418 VanDerWaalsContact O-N 3.15Å; D415-R418 WeakPolarHBondContact OD1-CD 3.24Å; D415-R418 IonicContact OD1-CZ 3.23Å; D415-R418 PolarHBondContact OD1-N 3.33Å; D415-R418 IonicContact OD1-NE 3.75Å; D415-R418 PolarHBondContact OD1-NE 3.47Å; D415-R418 IonicContact OD1-NH1 3.71Å; D415-R418 PolarHBondContact OD1-NH1 3.12Å; D415-R418 VanDerWaalsContact OD1-NH1 3.15Å; D415-R418 IonicContact OD1-NH2 2.64Å; D415-R418 PolarHBondContact OD1-NH2 3.37Å; D415-R418 IonicContact OD2-CZ 3.56Å; D415-R418 IonicContact OD2-NE 2.88Å; D415-R418 PolarHBondContact OD2-NE 3.22Å; D415-R418 IonicContact OD2-NH2 3.08Å; D415-R418 PolarHBondContact OD2-NH2 2.86Å; D415-A419 PolarHBondContact O-N 3.12Å
416P98.3Very high98.5Very high88 Ų8858 Ų5857%0.57131%0.311SS*.G310 helixtrans-68.1-26.5-174.127.3-35.2000112.7K412 V414 R418 A419K412-P416 WeakPolarHBondContact O-CA 3.41Å; V414-P416 WeakPolarHBondContact O-CD 3.44Å; P416-R418 PolarHBondContact O-N 2.87Å; P416-A419 WeakPolarHBondContact O-CB 3.29Å; P416-A419 PolarHBondContact O-N 3.29Å
417M98.4Very high98.5Very high168 Ų16852.2 Ų52.283%0.82828%0.284SS*.G310 helixtrans-65.8-24178.1-66.9-175.47500112.4D415D415-M417 VanDerWaalsContact C-N 3.26Å; D415-M417 PolarHBondContact O-N 3.44Å
418R98.3Very high98.4Very high90 Ų9054.4 Ų54.434%0.3429%0.294SS..G310 helixtrans-106.112.6178.3-76.777.281.3-163.6-10.4112.4D415 P416 A420 Y421 L422D415-R418 PolarHBondContact O-N 3.33Å; D415-R418 VanDerWaalsContact O-N 3.15Å; D415-R418 WeakPolarHBondContact OD1-CD 3.24Å; D415-R418 IonicContact OD1-CZ 3.23Å; D415-R418 PolarHBondContact OD1-N 3.33Å; D415-R418 IonicContact OD1-NE 3.75Å; D415-R418 PolarHBondContact OD1-NE 3.47Å; D415-R418 IonicContact OD1-NH1 3.71Å; D415-R418 PolarHBondContact OD1-NH1 3.12Å; D415-R418 VanDerWaalsContact OD1-NH1 3.15Å; D415-R418 IonicContact OD1-NH2 2.64Å; D415-R418 PolarHBondContact OD1-NH2 3.37Å; D415-R418 IonicContact OD2-CZ 3.56Å; D415-R418 IonicContact OD2-NE 2.88Å; D415-R418 PolarHBondContact OD2-NE 3.22Å; D415-R418 IonicContact OD2-NH2 3.08Å; D415-R418 PolarHBondContact OD2-NH2 2.86Å; P416-R418 PolarHBondContact O-N 2.87Å; R418-A420 VanDerWaalsContact C-N 3.28Å; R418-A420 PolarHBondContact O-N 2.9Å; R418-A420 VanDerWaalsContact O-N 3.15Å; R418-Y421 WeakPolarHBondContact O-CB 3.43Å; R418-Y421 PolarHBondContact O-N 3.21Å; R418-L422 WeakPolarHBondContact O-CG 2.77Å; R418-L422 PolarHBondContact O-N 2.96Å
419A98.3Very high98.4Very high22 Ų2254.8 Ų54.818%0.18230%0.296CS..Hα-helixtrans-51.7-41.4-177.600000114.5K412 D415 P416 L422 D423K412-A419 HydrophobicContact CD-CB 4.37Å; K412-A419 HydrophobicContact CG-CB 3.83Å; D415-A419 PolarHBondContact O-N 3.12Å; P416-A419 WeakPolarHBondContact O-CB 3.29Å; P416-A419 PolarHBondContact O-N 3.29Å; A419-L422 PolarHBondContact O-N 3.45Å; A419-D423 PolarHBondContact O-N 3.41Å
420A98.3Very high98.4Very high70 Ų7048.6 Ų48.658%0.57927%0.267SS*.Hα-helixtrans-66.6-44.4177.400000112.1R418 L422 D423 D424R418-A420 VanDerWaalsContact C-N 3.28Å; R418-A420 PolarHBondContact O-N 2.9Å; R418-A420 VanDerWaalsContact O-N 3.15Å; A420-L422 VanDerWaalsContact C-N 3.3Å; A420-L422 PolarHBondContact O-N 3.35Å; A420-D423 PolarHBondContact O-N 3.18Å; A420-D424 PolarHBondContact O-N 3.48Å
421Y98.5Very high98.4Very high98 Ų9845.8 Ų45.838%0.38425%0.25SC..Hα-helixtrans-58.9-42.1175.2165.1-99.3000112R233 R418 D424 L425R233-Y421 VanDerWaalsContact CZ-OH 3.31Å; R233-Y421 PolarHBondContact NH1-OH 3Å; R233-Y421 PolarHBondContact NH2-OH 3.39Å; R418-Y421 WeakPolarHBondContact O-CB 3.43Å; R418-Y421 PolarHBondContact O-N 3.21Å; Y421-D424 PolarHBondContact O-N 3.24Å; Y421-L425 HydrophobicContact CE1-CD2 4.28Å; Y421-L425 WeakPolarHBondContact O-CB 3.24Å; Y421-L425 PolarHBondContact O-N 2.88Å
422L98.7Very high98.2Very high5 Ų546.1 Ų46.13%0.02625%0.251CS..Hα-helixtrans-68.8-39.5179.7-64.8171000112F408 L411 K412 R418 A419 A420 D424 L425 R426F408-L422 HydrophobicContact CD1-CB 4.34Å; F408-L422 HydrophobicContact CD1-CD2 4.48Å; F408-L422 HydrophobicContact CE1-CD2 4.47Å; L411-L422 HydrophobicContact CB-CD1 4.47Å; L411-L422 HydrophobicContact CD2-CD1 4.34Å; L411-L422 HydrophobicContact CD2-CD2 3.55Å; L411-L422 HydrophobicContact CG-CD1 3.8Å; L411-L422 HydrophobicContact CG-CD2 3.98Å; K412-L422 HydrophobicContact CB-CD1 4.13Å; R418-L422 WeakPolarHBondContact O-CG 2.77Å; R418-L422 PolarHBondContact O-N 2.96Å; A419-L422 PolarHBondContact O-N 3.45Å; A420-L422 VanDerWaalsContact C-N 3.3Å; A420-L422 PolarHBondContact O-N 3.35Å; L422-D424 VanDerWaalsContact C-N 3.32Å; L422-L425 PolarHBondContact O-N 2.9Å; L422-R426 VanDerWaalsContact O-CB 3.26Å; L422-R426 WeakPolarHBondContact O-CB 3.06Å; L422-R426 PolarHBondContact O-N 2.79Å
423D98.6Very high98.2Very high13 Ų1343.3 Ų43.37%0.0724%0.239CC..Hα-helixtrans-60.8-42.4172.6-81.2-20.7000111.4K412 A419 A420 R426 S427 T454 R474K412-D423 IonicContact NZ-OD1 3.73Å; K412-D423 PolarHBondContact NZ-OD1 3Å; K412-D423 IonicContact NZ-OD2 3.2Å; K412-D423 PolarHBondContact NZ-OD2 3.48Å; A419-D423 PolarHBondContact O-N 3.41Å; A420-D423 PolarHBondContact O-N 3.18Å; D423-R426 PolarHBondContact O-N 3.47Å; D423-R426 IonicContact OD1-NH2 3.38Å; D423-S427 WeakPolarHBondContact O-CB 3.39Å; D423-S427 PolarHBondContact O-N 3.4Å; D423-S427 PolarHBondContact O-OG 2.85Å; D423-T454 HydrophobicContact CB-CG2 3.79Å; D423-T454 PolarHBondContact O-OG1 3.48Å; D423-R474 IonicContact OD1-NH2 2.67Å; D423-R474 PolarHBondContact OD1-NH2 2.76Å; D423-R474 IonicContact OD2-CZ 2.75Å; D423-R474 IonicContact OD2-NH1 3.7Å; D423-R474 PolarHBondContact OD2-NH1 2.92Å; D423-R474 IonicContact OD2-NH2 3.42Å; D423-R474 PolarHBondContact OD2-NH2 3.13Å
424D98.6Very high98.1Very high66 Ų6639.9 Ų39.935%0.35321%0.21SC..Hα-helixtrans-68.1-43.6178.6-72.6-9.8000112A420 Y421 L422 R426 S427 K428 T454 V455A420-D424 PolarHBondContact O-N 3.48Å; Y421-D424 PolarHBondContact O-N 3.24Å; L422-D424 VanDerWaalsContact C-N 3.32Å; D424-R426 VanDerWaalsContact C-N 3.34Å; D424-R426 PolarHBondContact O-N 2.87Å; D424-S427 WeakPolarHBondContact O-CB 3.31Å; D424-S427 PolarHBondContact O-N 3.36Å; D424-K428 PolarHBondContact O-N 3.45Å; D424-T454 PolarHBondContact N-OG1 3.41Å; D424-T454 WeakPolarHBondContact OD1-CB 3.29Å; D424-T454 PolarHBondContact OD1-OG1 3.44Å; D424-V455 HydrophobicContact CB-CG1 3.75Å
425L98.3Very high98Very high17 Ų1737.4 Ų37.49%0.08920%0.196CC..Hα-helixtrans-62.8-41.1176-176.961.3000111.7L386 F408 Y421 L422 K428 F429L386-L425 HydrophobicContact CD1-CD2 4.13Å; F408-L425 HydrophobicContact CE1-CB 4.21Å; F408-L425 HydrophobicContact CE1-CD2 4.12Å; F408-L425 HydrophobicContact CE1-CG 4.16Å; F408-L425 HydrophobicContact CZ-CB 4.39Å; F408-L425 HydrophobicContact CZ-CD2 4.21Å; F408-L425 HydrophobicContact CZ-CG 4.01Å; Y421-L425 HydrophobicContact CE1-CD2 4.28Å; Y421-L425 WeakPolarHBondContact O-CB 3.24Å; Y421-L425 PolarHBondContact O-N 2.88Å; L422-L425 PolarHBondContact O-N 2.9Å; L425-K428 WeakPolarHBondContact O-CB 3.49Å; L425-K428 PolarHBondContact O-N 2.9Å; L425-F429 HydrophobicContact CD1-CD1 4.35Å; L425-F429 HydrophobicContact CD1-CE1 3.71Å; L425-F429 HydrophobicContact CD1-CE2 4.46Å; L425-F429 HydrophobicContact CD1-CZ 3.77Å; L425-F429 HydrophobicContact CD2-CZ 4.48Å; L425-F429 HydrophobicContact CG-CE1 4.36Å; L425-F429 HydrophobicContact CG-CE2 4.29Å; L425-F429 HydrophobicContact CG-CZ 4.08Å; L425-F429 WeakPolarHBondContact O-CG 3.45Å; L425-F429 PolarHBondContact O-N 3.2Å
426R98.6Very high97.9Very high17 Ų1737.3 Ų37.36%0.06420%0.195CC..Hα-helixtrans-63.2-42.8174.1-177.3-174.358.168.26.5111.5L405 F408 L422 D423 D424 K428 F429 L430 K451 D452L405-R426 HydrophobicContact CD2-CG 3.79Å; F408-R426 HydrophobicContact CD1-CB 4.01Å; F408-R426 HydrophobicContact CD2-CB 3.84Å; F408-R426 HydrophobicContact CD2-CG 3.76Å; F408-R426 HydrophobicContact CE1-CB 4.02Å; F408-R426 HydrophobicContact CE2-CB 3.85Å; F408-R426 HydrophobicContact CE2-CG 4.07Å; F408-R426 HydrophobicContact CG-CB 3.93Å; F408-R426 HydrophobicContact CG-CG 4.1Å; F408-R426 HydrophobicContact CZ-CB 3.94Å; L422-R426 VanDerWaalsContact O-CB 3.26Å; L422-R426 WeakPolarHBondContact O-CB 3.06Å; L422-R426 PolarHBondContact O-N 2.79Å; D423-R426 PolarHBondContact O-N 3.47Å; D423-R426 IonicContact OD1-NH2 3.38Å; D424-R426 VanDerWaalsContact C-N 3.34Å; D424-R426 PolarHBondContact O-N 2.87Å; R426-K428 VanDerWaalsContact C-N 3.3Å; R426-K428 PolarHBondContact O-N 3.37Å; R426-F429 PolarHBondContact O-N 3.33Å; R426-L430 HydrophobicContact CG-CD1 4.15Å; R426-L430 HydrophobicContact CG-CG 4.5Å; R426-L430 VanDerWaalsContact NH1-CD1 3.27Å; R426-L430 WeakPolarHBondContact O-CB 3.49Å; R426-L430 WeakPolarHBondContact O-CG 3.2Å; R426-L430 PolarHBondContact O-N 3.48Å; R426-K451 PolarHBondContact NH1-O 3.18Å; R426-D452 IonicContact CZ-OD2 2.93Å; R426-D452 PolarHBondContact NH2-O 2.93Å; R426-D452 IonicContact NH2-OD2 3.5Å; R426-D452 PolarHBondContact NH2-OD2 2.95Å; R426-D452 VanDerWaalsContact NH2-OD2 3.08Å
427S98.6Very high97.7Very high1 Ų137.1 Ų37.11%0.00719%0.185CC..Hα-helixtrans-59.3-43.8176.9-59.40000111.2D423 D424 L430 L431 L453 T454 V455D423-S427 WeakPolarHBondContact O-CB 3.39Å; D423-S427 PolarHBondContact O-N 3.4Å; D423-S427 PolarHBondContact O-OG 2.85Å; D424-S427 WeakPolarHBondContact O-CB 3.31Å; D424-S427 PolarHBondContact O-N 3.36Å; S427-L430 PolarHBondContact O-N 2.74Å; S427-L431 WeakPolarHBondContact O-CB 3.41Å; S427-L431 PolarHBondContact O-N 3.13Å; S427-L453 WeakPolarHBondContact OG-CA 3.5Å; S427-T454 PolarHBondContact OG-N 3.16Å; S427-T454 PolarHBondContact OG-OG1 3.34Å; S427-V455 WeakPolarHBondContact CB-O 3.41Å
428K97.8Very high97.6Very high72 Ų7229.9 Ų29.931%0.31315%0.15SC..Hα-helixtrans-55.7-52.5172.9-172.4-170.2-175.5-161.20111.4D424 L425 R426 L430 L431 E432 C457 H458D424-K428 PolarHBondContact O-N 3.45Å; L425-K428 WeakPolarHBondContact O-CB 3.49Å; L425-K428 PolarHBondContact O-N 2.9Å; R426-K428 VanDerWaalsContact C-N 3.3Å; R426-K428 PolarHBondContact O-N 3.37Å; K428-L430 PolarHBondContact O-N 3.44Å; K428-L431 PolarHBondContact O-N 2.91Å; K428-E432 WeakPolarHBondContact CE-OE1 3.49Å; K428-E432 WeakPolarHBondContact CG-OE1 3.42Å; K428-E432 IonicContact NZ-OE1 3.86Å; K428-E432 VanDerWaalsContact O-CG 3.32Å; K428-E432 WeakPolarHBondContact O-CG 3.47Å; K428-E432 PolarHBondContact O-N 3.37Å; K428-C457 HydrophobicContact CB-CB 4.32Å; K428-C457 HydrophobicContact CG-CB 3.93Å; K428-H458 WeakPolarHBondContact CE-NE2 3.42Å
429F97.9Very high97.3Very high15 Ų1527.1 Ų27.17%0.06614%0.14CC..Hα-helixtrans-63.9-38.7-178.5-71-2.2000113.6I389 L390 R393 F408 L425 R426 L431 E432 N433I389-F429 HydrophobicContact CG2-CD2 4.3Å; I389-F429 HydrophobicContact CG2-CE2 3.72Å; L390-F429 HydrophobicContact CD2-CZ 4.19Å; R393-F429 HydrophobicContact CB-CE2 4.34Å; R393-F429 HydrophobicContact CB-CZ 4.46Å; R393-F429 HydrophobicContact CG-CE1 4.24Å; R393-F429 HydrophobicContact CG-CE2 4.23Å; R393-F429 HydrophobicContact CG-CZ 4.03Å; R393-F429 PolarHBondContact NH1-O 3.08Å; F408-F429 AromaticContact CE2-CD2 3.81Å; F408-F429 HydrophobicContact CE2-CD2 3.81Å; F408-F429 HydrophobicContact CE2-CE2 4.31Å; F408-F429 AromaticContact CZ-CD2 3.81Å; F408-F429 HydrophobicContact CZ-CD2 3.81Å; F408-F429 AromaticContact CZ-CE2 3.98Å; F408-F429 HydrophobicContact CZ-CE2 3.98Å; L425-F429 HydrophobicContact CD1-CD1 4.35Å; L425-F429 HydrophobicContact CD1-CE1 3.71Å; L425-F429 HydrophobicContact CD1-CE2 4.46Å; L425-F429 HydrophobicContact CD1-CZ 3.77Å; L425-F429 HydrophobicContact CD2-CZ 4.48Å; L425-F429 HydrophobicContact CG-CE1 4.36Å; L425-F429 HydrophobicContact CG-CE2 4.29Å; L425-F429 HydrophobicContact CG-CZ 4.08Å; L425-F429 WeakPolarHBondContact O-CG 3.45Å; L425-F429 PolarHBondContact O-N 3.2Å; R426-F429 PolarHBondContact O-N 3.33Å; F429-L431 VanDerWaalsContact C-N 3.34Å; F429-E432 PolarHBondContact O-N 3.25Å; F429-N433 WeakPolarHBondContact O-CB 3.49Å; F429-N433 PolarHBondContact O-N 3.03Å; F429-N433 PolarHBondContact O-OD1 3.08Å
430L98.4Very high97Very high10 Ų1036 Ų365%0.05217%0.171CC..Hα-helixtrans-67.3-36.3176.3-76.5175.9000112.4E401 L405 R426 S427 K428 S434 K451 L453E401-L430 HydrophobicContact CG-CD2 4.37Å; L405-L430 HydrophobicContact CD1-CD2 4.45Å; L405-L430 HydrophobicContact CD2-CD1 3.95Å; L405-L430 HydrophobicContact CD2-CD2 4.08Å; L405-L430 HydrophobicContact CD2-CG 4.23Å; R426-L430 HydrophobicContact CG-CD1 4.15Å; R426-L430 HydrophobicContact CG-CG 4.5Å; R426-L430 VanDerWaalsContact NH1-CD1 3.27Å; R426-L430 WeakPolarHBondContact O-CB 3.49Å; R426-L430 WeakPolarHBondContact O-CG 3.2Å; R426-L430 PolarHBondContact O-N 3.48Å; S427-L430 PolarHBondContact O-N 2.74Å; K428-L430 PolarHBondContact O-N 3.44Å; L430-S434 WeakPolarHBondContact O-CB 3.34Å; L430-S434 PolarHBondContact O-N 3.43Å; L430-S434 PolarHBondContact O-OG 3.47Å; L430-K451 HydrophobicContact CB-CD 4.06Å; L430-K451 HydrophobicContact CD1-CB 3.97Å; L430-K451 HydrophobicContact CD1-CD 4.45Å; L430-K451 VanDerWaalsContact CD1-O 3.3Å; L430-K451 WeakPolarHBondContact CD1-O 3.44Å; L430-K451 HydrophobicContact CD2-CD 4.37Å; L430-L453 HydrophobicContact CB-CD2 4.18Å; L430-L453 HydrophobicContact CD1-CD2 4.44Å
431L97.9Very high96.8Very high1 Ų135.4 Ų35.41%0.00517%0.166CC..Hα-helixtrans-66-50.1173.9-173.1152.7000110.8S427 K428 F429 N433 S434 V435 L448 L456 C457 H458S427-L431 WeakPolarHBondContact O-CB 3.41Å; S427-L431 PolarHBondContact O-N 3.13Å; K428-L431 PolarHBondContact O-N 2.91Å; F429-L431 VanDerWaalsContact C-N 3.34Å; L431-N433 VanDerWaalsContact C-N 3.28Å; L431-N433 PolarHBondContact O-N 2.87Å; L431-S434 PolarHBondContact O-N 3.32Å; L431-V435 HydrophobicContact CD2-CG2 3.95Å; L431-V435 WeakPolarHBondContact O-CG2 3.44Å; L431-V435 PolarHBondContact O-N 3.14Å; L431-L448 HydrophobicContact CB-CD2 4.41Å; L431-L448 HydrophobicContact CD1-CD1 4.09Å; L431-L448 HydrophobicContact CG-CD1 4.14Å; L431-L456 HydrophobicContact CD1-CD2 4.34Å; L431-C457 WeakPolarHBondContact CD1-O 3.36Å; L431-C457 VanDerWaalsContact CD2-O 3.24Å; L431-C457 WeakPolarHBondContact CD2-O 3.46Å; L431-H458 HydrophobicContact CD2-CB 3.99Å
432E96.6Very high96.6Very high9 Ų939.6 Ų39.64%0.04219%0.189CC..Hα-helixtrans-54.8-44.2175.8-67.7173.7-164.900111.3F352 R393 K428 F429 S434 V435 L436 H458F352-E432 HydrophobicContact CB-CB 4.31Å; F352-E432 HydrophobicContact CB-CG 4.37Å; F352-E432 HydrophobicContact CD1-CB 4.16Å; F352-E432 HydrophobicContact CD1-CG 3.56Å; F352-E432 HydrophobicContact CD2-CB 3.94Å; F352-E432 HydrophobicContact CD2-CG 4.26Å; F352-E432 HydrophobicContact CE1-CB 4.48Å; F352-E432 HydrophobicContact CE1-CG 3.82Å; F352-E432 HydrophobicContact CE2-CB 4.28Å; F352-E432 HydrophobicContact CE2-CG 4.47Å; F352-E432 HydrophobicContact CG-CB 3.88Å; F352-E432 HydrophobicContact CG-CG 3.81Å; F352-E432 HydrophobicContact CZ-CG 4.27Å; R393-E432 IonicContact CZ-OE2 2.72Å; R393-E432 IonicContact NE-OE2 2.63Å; R393-E432 PolarHBondContact NE-OE2 3.2Å; R393-E432 VanDerWaalsContact NE-OE2 3.1Å; R393-E432 IonicContact NH2-OE2 3.8Å; R393-E432 PolarHBondContact NH2-OE2 3.4Å; K428-E432 WeakPolarHBondContact CE-OE1 3.49Å; K428-E432 WeakPolarHBondContact CG-OE1 3.42Å; K428-E432 IonicContact NZ-OE1 3.86Å; K428-E432 VanDerWaalsContact O-CG 3.32Å; K428-E432 WeakPolarHBondContact O-CG 3.47Å; K428-E432 PolarHBondContact O-N 3.37Å; F429-E432 PolarHBondContact O-N 3.25Å; E432-S434 VanDerWaalsContact C-N 3.32Å; E432-S434 PolarHBondContact O-N 2.89Å; E432-V435 PolarHBondContact O-N 2.99Å; E432-L436 WeakPolarHBondContact O-CG 3.15Å; E432-L436 PolarHBondContact O-N 3.38Å; E432-H458 IonicContact OE1-CD2 3.12Å; E432-H458 IonicContact OE1-NE2 2.97Å; E432-H458 PolarHBondContact OE1-NE2 2.98Å
433N97Very high96.5Very high4 Ų442.5 Ų42.52%0.02121%0.207CC..Hα-helixtrans-61-39.5175.1-78.912.4000113R393 P397 L398 E401 F429 L431 V435 L436 K437R393-N433 PolarHBondContact NH1-OD1 2.94Å; R393-N433 PolarHBondContact NH2-OD1 3.02Å; P397-N433 WeakPolarHBondContact CB-OD1 3.39Å; P397-N433 PolarHBondContact O-ND2 2.92Å; L398-N433 HydrophobicContact CD2-CB 3.82Å; E401-N433 WeakPolarHBondContact OE2-CB 3.31Å; E401-N433 PolarHBondContact OE2-ND2 2.93Å; F429-N433 WeakPolarHBondContact O-CB 3.49Å; F429-N433 PolarHBondContact O-N 3.03Å; F429-N433 PolarHBondContact O-OD1 3.08Å; L431-N433 VanDerWaalsContact C-N 3.28Å; L431-N433 PolarHBondContact O-N 2.87Å; N433-V435 VanDerWaalsContact C-N 3.33Å; N433-L436 PolarHBondContact O-N 3.15Å; N433-K437 VanDerWaalsContact O-CG 3.29Å; N433-K437 WeakPolarHBondContact O-CG 3.37Å; N433-K437 PolarHBondContact O-N 2.76Å
434S97.6Very high96.4Very high7 Ų744.5 Ų44.55%0.04921%0.214CC..Hα-helixtrans-71.8-32.3-179.1-54.40000111.3L430 L431 E432 K437 M438 L446 L448 K451L430-S434 WeakPolarHBondContact O-CB 3.34Å; L430-S434 PolarHBondContact O-N 3.43Å; L430-S434 PolarHBondContact O-OG 3.47Å; L431-S434 PolarHBondContact O-N 3.32Å; E432-S434 VanDerWaalsContact C-N 3.32Å; E432-S434 PolarHBondContact O-N 2.89Å; S434-K437 PolarHBondContact O-N 3.21Å; S434-M438 WeakPolarHBondContact O-CB 3.05Å; S434-M438 PolarHBondContact O-N 3.35Å; S434-L446 WeakPolarHBondContact O-CD1 3.27Å; S434-L448 VanDerWaalsContact OG-CD2 3.25Å; S434-L448 WeakPolarHBondContact OG-CD2 3.49Å; S434-K451 VanDerWaalsContact OG-CE 3.24Å; S434-K451 WeakPolarHBondContact OG-CE 3.39Å
435V96.1Very high96.4Very high0 Ų043.6 Ų43.60%021%0.21CC..Hα-helixtrans-65.5-44.7171.1176.50000111T346 F352 L431 E432 N433 K437 M438 E439 L446 L462T346-V435 HydrophobicContact CG2-CG1 3.82Å; F352-V435 HydrophobicContact CE2-CB 3.89Å; F352-V435 HydrophobicContact CE2-CG1 3.77Å; F352-V435 HydrophobicContact CZ-CB 4.4Å; F352-V435 HydrophobicContact CZ-CG1 4.23Å; L431-V435 HydrophobicContact CD2-CG2 3.95Å; L431-V435 WeakPolarHBondContact O-CG2 3.44Å; L431-V435 PolarHBondContact O-N 3.14Å; E432-V435 PolarHBondContact O-N 2.99Å; N433-V435 VanDerWaalsContact C-N 3.33Å; V435-K437 VanDerWaalsContact C-N 3.33Å; V435-K437 PolarHBondContact O-N 3.44Å; V435-M438 HydrophobicContact CG1-CE 4.27Å; V435-M438 WeakPolarHBondContact O-CB 3.24Å; V435-M438 PolarHBondContact O-N 2.94Å; V435-E439 WeakPolarHBondContact O-CG 3.36Å; V435-E439 PolarHBondContact O-N 3.3Å; V435-L446 HydrophobicContact CG2-CD1 4.28Å; V435-L446 HydrophobicContact CG2-CD2 4.41Å; V435-L462 HydrophobicContact CG2-CD2 3.64Å
436L94.4Very high96.4Very high10 Ų1042.9 Ų42.95%0.05221%0.206CC..Hα-helixtrans-59.1-43.6174.9-68.2170.8000111.9T346 F352 P397 L398 E432 N433 E439 Y440T346-L436 WeakPolarHBondContact OG1-CD2 3.4Å; F352-L436 HydrophobicContact CD2-CD2 4.29Å; F352-L436 HydrophobicContact CD2-CG 4.21Å; P397-L436 HydrophobicContact CG-CD1 4.22Å; L398-L436 HydrophobicContact CD1-CB 4.22Å; L398-L436 HydrophobicContact CD2-CB 4.38Å; L398-L436 HydrophobicContact CD2-CD1 4.39Å; L398-L436 HydrophobicContact CG-CD1 4.35Å; E432-L436 WeakPolarHBondContact O-CG 3.15Å; E432-L436 PolarHBondContact O-N 3.38Å; N433-L436 PolarHBondContact O-N 3.15Å; L436-E439 PolarHBondContact O-N 3.22Å; L436-Y440 WeakPolarHBondContact O-CB 3.43Å; L436-Y440 PolarHBondContact O-N 3.35Å
437K95.3Very high96.4Very high85 Ų8547.7 Ų47.737%0.3723%0.229SC..Hα-helixtrans-64.2-39.5176.7-70170.2-168.8174.90112.3L398 E401 N433 S434 V435 A441L398-K437 HydrophobicContact CD2-CG 4.2Å; E401-K437 IonicContact OE1-NZ 3.43Å; E401-K437 PolarHBondContact OE1-NZ 2.93Å; E401-K437 WeakPolarHBondContact OE2-CE 3.42Å; E401-K437 IonicContact OE2-NZ 3.66Å; E401-K437 PolarHBondContact OE2-NZ 2.85Å; N433-K437 VanDerWaalsContact O-CG 3.29Å; N433-K437 WeakPolarHBondContact O-CG 3.37Å; N433-K437 PolarHBondContact O-N 2.76Å; S434-K437 PolarHBondContact O-N 3.21Å; V435-K437 VanDerWaalsContact C-N 3.33Å; V435-K437 PolarHBondContact O-N 3.44Å; K437-A441 WeakPolarHBondContact O-CB 3.45Å; K437-A441 PolarHBondContact O-N 3.41Å; K437-A441 VanDerWaalsContact O-N 3.1Å
438M95.5Very high96.4Very high16 Ų1647.7 Ų47.78%0.07923%0.229CC..Hα-helixtrans-63.5-45.8176.8176.3-170.874.900111.2S434 V435 A441 E442 V443 L446 V465S434-M438 WeakPolarHBondContact O-CB 3.05Å; S434-M438 PolarHBondContact O-N 3.35Å; V435-M438 HydrophobicContact CG1-CE 4.27Å; V435-M438 WeakPolarHBondContact O-CB 3.24Å; V435-M438 PolarHBondContact O-N 2.94Å; M438-A441 PolarHBondContact O-N 2.8Å; M438-E442 PolarHBondContact O-N 2.8Å; M438-E442 VanDerWaalsContact O-N 3.17Å; M438-V443 HydrophobicContact CG-CG2 4.03Å; M438-V443 WeakPolarHBondContact CG-O 3.36Å; M438-V443 PolarHBondContact O-N 2.98Å; M438-L446 HydrophobicContact CB-CD1 4.17Å; M438-L446 HydrophobicContact SD-CB 4.05Å; M438-L446 HydrophobicContact SD-CD1 4.09Å; M438-V465 HydrophobicContact CE-CG2 4.23Å; M438-V465 HydrophobicContact SD-CG2 3.81Å
439E92.6Very high96.4Very high31 Ų3145.2 Ų45.215%0.14522%0.222CC..Hα-helixtrans-64.5-44.9177-73.4-178.7-176.800112.1R343 T346 V435 L436 A441 E442R343-E439 IonicContact CZ-OE1 2.85Å; R343-E439 IonicContact NH1-OE1 2.73Å; R343-E439 PolarHBondContact NH1-OE1 2.93Å; R343-E439 IonicContact NH2-OE1 3.97Å; R343-E439 PolarHBondContact NH2-OE1 3.32Å; T346-E439 WeakPolarHBondContact CB-OE1 3.4Å; T346-E439 WeakPolarHBondContact CB-OE2 3.48Å; T346-E439 WeakPolarHBondContact CG2-OE1 3.44Å; T346-E439 PolarHBondContact N-OE1 2.89Å; T346-E439 PolarHBondContact N-OE2 3.05Å; T346-E439 PolarHBondContact OG1-OE1 3.49Å; T346-E439 VanDerWaalsContact OG1-OE1 3.12Å; T346-E439 PolarHBondContact OG1-OE2 2.99Å; V435-E439 WeakPolarHBondContact O-CG 3.36Å; V435-E439 PolarHBondContact O-N 3.3Å; L436-E439 PolarHBondContact O-N 3.22Å; E439-A441 PolarHBondContact O-N 3.42Å; E439-E442 PolarHBondContact O-N 2.85Å
440Y92Very high96.4Very high209 Ų20951.1 Ų51.182%0.8225%0.249SC*.Hα-helixtrans-59.2-34.7176.7-179.9-98.5000112.8L436 E442L436-Y440 WeakPolarHBondContact O-CB 3.43Å; L436-Y440 PolarHBondContact O-N 3.35Å; Y440-E442 VanDerWaalsContact C-N 3.3Å
441A94.8Very high96.4Very high58 Ų5852.9 Ų52.948%0.47926%0.257SS..THydrogen-bonded Turntrans-83.9-3.7176.600000113.5K437 M438 E439 V443K437-A441 WeakPolarHBondContact O-CB 3.45Å; K437-A441 PolarHBondContact O-N 3.41Å; K437-A441 VanDerWaalsContact O-N 3.1Å; M438-A441 PolarHBondContact O-N 2.8Å; E439-A441 PolarHBondContact O-N 3.42Å; A441-V443 HydrophobicContact CB-CG1 4.26Å; A441-V443 HydrophobicContact CB-CG2 4.03Å; A441-V443 WeakPolarHBondContact O-CG1 3.46Å; A441-V443 PolarHBondContact O-N 2.73Å
442E93.8Very high96.4Very high185 Ų18556 Ų5686%0.86427%0.274SS*.THydrogen-bonded Turntrans52.935.1-175.6-58.9-175170.800113.5M438 E439 Y440M438-E442 PolarHBondContact O-N 2.8Å; M438-E442 VanDerWaalsContact O-N 3.17Å; E439-E442 PolarHBondContact O-N 2.85Å; Y440-E442 VanDerWaalsContact C-N 3.3Å
443V96.5Very high96.5Very high67 Ų6755.6 Ų55.641%0.40627%0.272SS..  trans-108161.2179.5-61.20000112M438 A441M438-V443 HydrophobicContact CG-CG2 4.03Å; M438-V443 WeakPolarHBondContact CG-O 3.36Å; M438-V443 PolarHBondContact O-N 2.98Å; A441-V443 HydrophobicContact CB-CG1 4.26Å; A441-V443 HydrophobicContact CB-CG2 4.03Å; A441-V443 WeakPolarHBondContact O-CG1 3.46Å; A441-V443 PolarHBondContact O-N 2.73Å
444R97Very high96.6Very high55 Ų5557 Ų5721%0.20828%0.28CS..SBendtrans-107.121.5174.7-64.7170.462.2-170.73.1112.4E339 L464 V465 T466 H467 C487E339-R444 IonicContact OE1-CZ 3.9Å; E339-R444 IonicContact OE1-NH1 3.47Å; E339-R444 PolarHBondContact OE1-NH1 3.38Å; E339-R444 IonicContact OE1-NH2 3.03Å; E339-R444 IonicContact OE2-NH1 2.69Å; E339-R444 IonicContact OE2-NH2 2.7Å; R444-L464 VanDerWaalsContact CZ-O 3.23Å; R444-L464 PolarHBondContact NE-O 3.1Å; R444-L464 PolarHBondContact NH2-O 3.04Å; R444-V465 WeakPolarHBondContact O-CA 3.42Å; R444-T466 HydrophobicContact CB-CG2 4.24Å; R444-T466 VanDerWaalsContact CZ-CG2 3.49Å; R444-T466 PolarHBondContact O-N 3.07Å; R444-T466 PolarHBondContact O-OG1 3.44Å; R444-H467 PolarHBondContact O-N 3.14Å; R444-C487 VanDerWaalsContact NH2-CB 3.32Å
445V98.4Very high96.6Very high47 Ų4759.1 Ų59.129%0.28529%0.293SS..EExtended strand (participates in β ladder)trans-110.5121.5-179.4-178.10000108.1H447 H467V445-H447 WeakPolarHBondContact CG1-NE2 3.36Å; V445-H467 WeakPolarHBondContact CA-O 3.4Å; V445-H467 HydrophobicContact CB-CB 4.3Å; V445-H467 HydrophobicContact CG1-CB 3.89Å; V445-H467 HydrophobicContact CG2-CB 4.04Å
446L98.4Very high96.6Very high1 Ų159.9 Ų59.91%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-108.8113.2-179.4-172.163.5000110.7S434 V435 M438 L448 L462 V465 H467 L468 D469S434-L446 WeakPolarHBondContact O-CD1 3.27Å; V435-L446 HydrophobicContact CG2-CD1 4.28Å; V435-L446 HydrophobicContact CG2-CD2 4.41Å; M438-L446 HydrophobicContact CB-CD1 4.17Å; M438-L446 HydrophobicContact SD-CB 4.05Å; M438-L446 HydrophobicContact SD-CD1 4.09Å; L446-L448 HydrophobicContact CD2-CD1 3.85Å; L446-L448 HydrophobicContact CD2-CG 4.42Å; L446-L448 HydrophobicContact CG-CD1 4.11Å; L446-L448 HydrophobicContact CG-CG 4.16Å; L446-L462 HydrophobicContact CD2-CD1 3.61Å; L446-L462 HydrophobicContact CD2-CD2 3.84Å; L446-L462 HydrophobicContact CD2-CG 4.38Å; L446-V465 HydrophobicContact CB-CG1 4.14Å; L446-V465 HydrophobicContact CB-CG2 4.42Å; L446-H467 PolarHBondContact N-O 3.25Å; L446-L468 HydrophobicContact CB-CD1 3.95Å; L446-L468 HydrophobicContact CD2-CD1 3.89Å; L446-L468 HydrophobicContact CG-CD1 4.09Å; L446-D469 PolarHBondContact O-N 2.63Å
447H97.9Very high96.6Very high119 Ų11961 Ų6155%0.55131%0.306SS*.EExtended strand (participates in β ladder)trans-96.1109-180-64.4-68.8000111.9V445 K451V445-H447 WeakPolarHBondContact CG1-NE2 3.36Å; H447-K451 WeakPolarHBondContact O-CE 3.4Å
448L98.4Very high96.5Very high1 Ų159 Ų591%0.00530%0.297CS..  trans-123.814.3179.2-72.9172.1000112.8L431 S434 L446 K451 L453 L468 D469 L470 N473L431-L448 HydrophobicContact CB-CD2 4.41Å; L431-L448 HydrophobicContact CD1-CD1 4.09Å; L431-L448 HydrophobicContact CG-CD1 4.14Å; S434-L448 VanDerWaalsContact OG-CD2 3.25Å; S434-L448 WeakPolarHBondContact OG-CD2 3.49Å; L446-L448 HydrophobicContact CD2-CD1 3.85Å; L446-L448 HydrophobicContact CD2-CG 4.42Å; L446-L448 HydrophobicContact CG-CD1 4.11Å; L446-L448 HydrophobicContact CG-CG 4.16Å; L448-K451 HydrophobicContact CD2-CD 3.93Å; L448-L453 HydrophobicContact CB-CD1 3.9Å; L448-L453 HydrophobicContact CD1-CD1 4.24Å; L448-L453 HydrophobicContact CD2-CD1 4.21Å; L448-L453 HydrophobicContact CG-CD1 4.35Å; L448-L468 HydrophobicContact CD1-CD1 4.09Å; L448-D469 CarbonylContact C-O 3.36Å; L448-D469 WeakPolarHBondContact CA-O 3.37Å; L448-D469 VanDerWaalsContact CB-O 3.24Å; L448-D469 WeakPolarHBondContact CB-O 3.48Å; L448-D469 PolarHBondContact N-O 3.35Å; L448-L470 HydrophobicContact CB-CD2 3.89Å; L448-L470 HydrophobicContact CD1-CD2 3.74Å; L448-L470 HydrophobicContact CG-CD2 4.47Å; L448-N473 PolarHBondContact O-ND2 3.47Å
449A98.4Very high96.4Very high19 Ų1958.4 Ų58.416%0.15729%0.294CS..THydrogen-bonded Turntrans-63.3146.7176.100000112.7K451 D469 S471A449-K451 WeakPolarHBondContact O-CG 3.35Å; A449-K451 PolarHBondContact O-N 3.03Å; A449-D469 PolarHBondContact N-O 3.02Å; A449-D469 VanDerWaalsContact N-O 3.16Å; A449-S471 WeakPolarHBondContact CA-O 3.45Å; A449-S471 WeakPolarHBondContact CB-OG 3.44Å
450H98.2Very high96.4Very high139 Ų13958 Ų5864%0.64429%0.293SS*.THydrogen-bonded Turntrans55.234.4176-55.4-81.6000114.4S471 H472H450-S471 PolarHBondContact N-O 3.46Å; H450-S471 VanDerWaalsContact N-O 3.11Å; H450-H472 WeakPolarHBondContact CA-O 3.44Å; H450-H472 VanDerWaalsContact CE1-CB 3.41Å; H450-H472 WeakPolarHBondContact CE1-CB 3.25Å; H450-H472 AromaticContact CE1-CD2 3.13Å; H450-H472 PolarHBondContact CE1-CD2 3.45Å; H450-H472 AromaticContact CE1-CG 3.19Å; H450-H472 AromaticContact CE1-ND1 3.88Å; H450-H472 AromaticContact CE1-NE2 3.8Å; H450-H472 PolarHBondContact N-O 3.32Å; H450-H472 VanDerWaalsContact ND1-CB 3.28Å; H450-H472 WeakPolarHBondContact ND1-CB 3.37Å; H450-H472 AromaticContact ND1-CD2 3.94Å; H450-H472 AromaticContact ND1-CG 3.64Å; H450-H472 AromaticContact NE2-CD2 3.28Å; H450-H472 PolarHBondContact NE2-CD2 3.42Å; H450-H472 VanDerWaalsContact NE2-CD2 3.28Å; H450-H472 AromaticContact NE2-CG 3.79Å
451K98.2Very high96.4Very high47 Ų4748.6 Ų48.620%0.20426%0.256CS..SBendtrans-103.77.5-179.8-65.7-151-167.2-36.80113.1R426 L430 S434 H447 L448 A449 L453 N473R426-K451 PolarHBondContact NH1-O 3.18Å; L430-K451 HydrophobicContact CB-CD 4.06Å; L430-K451 HydrophobicContact CD1-CB 3.97Å; L430-K451 HydrophobicContact CD1-CD 4.45Å; L430-K451 VanDerWaalsContact CD1-O 3.3Å; L430-K451 WeakPolarHBondContact CD1-O 3.44Å; L430-K451 HydrophobicContact CD2-CD 4.37Å; S434-K451 VanDerWaalsContact OG-CE 3.24Å; S434-K451 WeakPolarHBondContact OG-CE 3.39Å; H447-K451 WeakPolarHBondContact O-CE 3.4Å; L448-K451 HydrophobicContact CD2-CD 3.93Å; A449-K451 WeakPolarHBondContact O-CG 3.35Å; A449-K451 PolarHBondContact O-N 3.03Å; K451-L453 HydrophobicContact CB-CD1 4.42Å; K451-L453 HydrophobicContact CB-CD2 3.81Å; K451-L453 HydrophobicContact CB-CG 3.8Å; K451-L453 PolarHBondContact O-N 2.94Å; K451-L453 VanDerWaalsContact O-N 3.15Å; K451-N473 VanDerWaalsContact C-OD1 3.26Å; K451-N473 WeakPolarHBondContact CA-OD1 3.46Å; K451-N473 PolarHBondContact N-OD1 3.27Å
452D97.9Very high96.4Very high67 Ų6745.9 Ų45.936%0.35823%0.234SC..  trans55.430.3178.9-166.741.8000112.6R426 T454 N473 R474R426-D452 IonicContact CZ-OD2 2.93Å; R426-D452 PolarHBondContact NH2-O 2.93Å; R426-D452 IonicContact NH2-OD2 3.5Å; R426-D452 PolarHBondContact NH2-OD2 2.95Å; R426-D452 VanDerWaalsContact NH2-OD2 3.08Å; D452-T454 PolarHBondContact O-N 3.03Å; D452-N473 PolarHBondContact N-OD1 3Å; D452-R474 VanDerWaalsContact CG-NH2 3.29Å; D452-R474 WeakPolarHBondContact OD1-CD 3.29Å; D452-R474 IonicContact OD1-CZ 2.71Å; D452-R474 IonicContact OD1-NE 2.94Å; D452-R474 PolarHBondContact OD1-NE 2.88Å; D452-R474 IonicContact OD1-NH2 3.38Å; D452-R474 PolarHBondContact OD1-NH2 3.41Å; D452-R474 IonicContact OD2-CZ 2.96Å; D452-R474 IonicContact OD2-NE 3.38Å; D452-R474 IonicContact OD2-NH2 3.47Å; D452-R474 PolarHBondContact OD2-NH2 3.01Å
453L98.6Very high96.5Very high1 Ų137.1 Ų37.11%0.00519%0.193CC..  trans-65.4133.8-172.4-57.9178.2000111.4S427 L430 L448 K451 L456 N473 R474 L475S427-L453 WeakPolarHBondContact OG-CA 3.5Å; L430-L453 HydrophobicContact CB-CD2 4.18Å; L430-L453 HydrophobicContact CD1-CD2 4.44Å; L448-L453 HydrophobicContact CB-CD1 3.9Å; L448-L453 HydrophobicContact CD1-CD1 4.24Å; L448-L453 HydrophobicContact CD2-CD1 4.21Å; L448-L453 HydrophobicContact CG-CD1 4.35Å; K451-L453 HydrophobicContact CB-CD1 4.42Å; K451-L453 HydrophobicContact CB-CD2 3.81Å; K451-L453 HydrophobicContact CB-CG 3.8Å; K451-L453 PolarHBondContact O-N 2.94Å; K451-L453 VanDerWaalsContact O-N 3.15Å; L453-L456 HydrophobicContact CD1-CD2 4.3Å; L453-N473 HydrophobicContact CB-CB 4.06Å; L453-N473 WeakPolarHBondContact CG-OD1 3.37Å; L453-N473 PolarHBondContact N-OD1 3.43Å; L453-R474 CarbonylContact O-C 3.56Å; L453-R474 VanDerWaalsContact O-C 3.22Å; L453-R474 VanDerWaalsContact O-CA 3.29Å; L453-R474 WeakPolarHBondContact O-CA 3.39Å; L453-R474 PolarHBondContact O-N 3.14Å; L453-L475 HydrophobicContact CB-CD2 4.05Å; L453-L475 PolarHBondContact O-N 2.73Å
454T98.1Very high96.6Very high33 Ų3334.7 Ų34.720%0.20218%0.177CC..SBendtrans-104.4-24.8174.450.20000112.6D423 D424 S427 D452 R474D423-T454 HydrophobicContact CB-CG2 3.79Å; D423-T454 PolarHBondContact O-OG1 3.48Å; D424-T454 PolarHBondContact N-OG1 3.41Å; D424-T454 WeakPolarHBondContact OD1-CB 3.29Å; D424-T454 PolarHBondContact OD1-OG1 3.44Å; S427-T454 PolarHBondContact OG-N 3.16Å; S427-T454 PolarHBondContact OG-OG1 3.34Å; D452-T454 PolarHBondContact O-N 3.03Å; T454-R474 HydrophobicContact CG2-CB 4.18Å
455V97.8Very high96.6Very high51 Ų5132.2 Ų32.231%0.30917%0.168SC..  trans-144.8155.6179.3710000110.9D424 S427D424-V455 HydrophobicContact CB-CG1 3.75Å; S427-V455 WeakPolarHBondContact CB-O 3.41Å
456L96.7Very high96.6Very high16 Ų1630.8 Ų30.88%0.08416%0.16CC..  trans-102.6140.3170.6-60.5178.4000110.3L431 L453 L459 L470 L475 L478 P479 L482L431-L456 HydrophobicContact CD1-CD2 4.34Å; L453-L456 HydrophobicContact CD1-CD2 4.3Å; L456-L459 HydrophobicContact CB-CD1 4.08Å; L456-L459 HydrophobicContact CB-CD2 4.05Å; L456-L459 HydrophobicContact CB-CG 4.27Å; L456-L459 HydrophobicContact CD1-CD1 4.41Å; L456-L459 HydrophobicContact CD1-CD2 4.36Å; L456-L470 HydrophobicContact CD1-CD1 3.87Å; L456-L470 HydrophobicContact CD2-CD1 4.34Å; L456-L470 HydrophobicContact CD2-CD2 3.79Å; L456-L475 HydrophobicContact CD2-CD1 4.16Å; L456-L475 HydrophobicContact CD2-CD2 4.21Å; L456-L475 HydrophobicContact CG-CD1 4.35Å; L456-L475 HydrophobicContact CG-CD2 4.16Å; L456-L478 HydrophobicContact CD1-CD2 4.31Å; L456-P479 HydrophobicContact CB-CG 4.38Å; L456-L482 HydrophobicContact CD1-CD1 4.49Å
457C94.2Very high96.7Very high35 Ų3534 Ų3424%0.23618%0.175CC..  trans-133.1165.9178.9-63.60000109.9K428 L431 L459K428-C457 HydrophobicContact CB-CB 4.32Å; K428-C457 HydrophobicContact CG-CB 3.93Å; L431-C457 WeakPolarHBondContact CD1-O 3.36Å; L431-C457 VanDerWaalsContact CD2-O 3.24Å; L431-C457 WeakPolarHBondContact CD2-O 3.46Å; C457-L459 PolarHBondContact O-N 2.99Å; C457-L459 VanDerWaalsContact O-N 3.11Å
458H92.9Very high96.7Very high42 Ų4228.6 Ų28.619%0.19415%0.15CC..  trans55.829.6173.6-57.5-60.5000115.2F352 K428 L431 E432 E460 Q461F352-H458 HydrophobicContact CE1-CB 4.26Å; F352-H458 AromaticContact CE1-CD2 3.99Å; F352-H458 AromaticContact CE1-CG 3.82Å; F352-H458 HydrophobicContact CZ-CB 4.46Å; K428-H458 WeakPolarHBondContact CE-NE2 3.42Å; L431-H458 HydrophobicContact CD2-CB 3.99Å; E432-H458 IonicContact OE1-CD2 3.12Å; E432-H458 IonicContact OE1-NE2 2.97Å; E432-H458 PolarHBondContact OE1-NE2 2.98Å; H458-E460 WeakPolarHBondContact CA-OE1 3.44Å; H458-E460 WeakPolarHBondContact CA-OE2 3.46Å; H458-E460 IonicContact ND1-OE1 3.19Å; H458-E460 PolarHBondContact O-N 3.37Å; H458-Q461 HydrophobicContact CB-CG 4.09Å; H458-Q461 WeakPolarHBondContact O-CB 3.22Å; H458-Q461 PolarHBondContact O-N 2.99Å
459L94.3Very high96.7Very high4 Ų430.5 Ų30.52%0.02116%0.16CC..G310 helixtrans-65.1-24.9-177.7-63.9-178.1000112.1L456 C457 Q461 L462 P479 A481 L482 L485L456-L459 HydrophobicContact CB-CD1 4.08Å; L456-L459 HydrophobicContact CB-CD2 4.05Å; L456-L459 HydrophobicContact CB-CG 4.27Å; L456-L459 HydrophobicContact CD1-CD1 4.41Å; L456-L459 HydrophobicContact CD1-CD2 4.36Å; C457-L459 PolarHBondContact O-N 2.99Å; C457-L459 VanDerWaalsContact O-N 3.11Å; L459-Q461 PolarHBondContact O-N 2.72Å; L459-L462 HydrophobicContact CD2-CD1 3.79Å; L459-L462 WeakPolarHBondContact O-CB 3.34Å; L459-L462 PolarHBondContact O-N 3.15Å; L459-L462 VanDerWaalsContact O-N 3.08Å; L459-P479 HydrophobicContact CD1-CG 3.68Å; L459-A481 HydrophobicContact CB-CB 4.46Å; L459-A481 HydrophobicContact CD1-CB 4.09Å; L459-L482 HydrophobicContact CD1-CB 4.17Å; L459-L482 HydrophobicContact CD1-CD1 4.07Å; L459-L482 HydrophobicContact CD2-CD1 4.3Å; L459-L485 HydrophobicContact CB-CD1 4.01Å; L459-L485 HydrophobicContact CD2-CD1 4.32Å; L459-L485 WeakPolarHBondContact O-CD1 3.49Å
460E91.1Very high96.7Very high23 Ų2329.6 Ų29.611%0.10715%0.152CC..G310 helixtrans-62.6-2417376.2-65.9159.100113.2H298 H458 L462H298-E460 HydrophobicContact CB-CB 3.71Å; H298-E460 HydrophobicContact CB-CG 4.47Å; H458-E460 WeakPolarHBondContact CA-OE1 3.44Å; H458-E460 WeakPolarHBondContact CA-OE2 3.46Å; H458-E460 IonicContact ND1-OE1 3.19Å; H458-E460 PolarHBondContact O-N 3.37Å; E460-L462 PolarHBondContact O-N 3.43Å
461Q92.3Very high96.7Very high11 Ų1123.5 Ų23.55%0.05113%0.125CC..G310 helixtrans-77.1-12.1176.2-56-53.6-39.400113.1R343 L351 F352 H458 L459R343-Q461 PolarHBondContact NE-O 3.39Å; R343-Q461 PolarHBondContact NH2-O 3.31Å; R343-Q461 VanDerWaalsContact NH2-O 3.11Å; L351-Q461 VanDerWaalsContact CD1-OE1 3.3Å; F352-Q461 HydrophobicContact CZ-CG 4.3Å; H458-Q461 HydrophobicContact CB-CG 4.09Å; H458-Q461 WeakPolarHBondContact O-CB 3.22Å; H458-Q461 PolarHBondContact O-N 2.99Å; L459-Q461 PolarHBondContact O-N 2.72Å
462L95.8Very high96.8Very high1 Ų125.1 Ų25.11%0.00513%0.133CC..G310 helixtrans-101.816.5-168.3-51.9-173000112.9V435 L446 L459 E460 L464 V465 L485V435-L462 HydrophobicContact CG2-CD2 3.64Å; L446-L462 HydrophobicContact CD2-CD1 3.61Å; L446-L462 HydrophobicContact CD2-CD2 3.84Å; L446-L462 HydrophobicContact CD2-CG 4.38Å; L459-L462 HydrophobicContact CD2-CD1 3.79Å; L459-L462 WeakPolarHBondContact O-CB 3.34Å; L459-L462 PolarHBondContact O-N 3.15Å; L459-L462 VanDerWaalsContact O-N 3.08Å; E460-L462 PolarHBondContact O-N 3.43Å; L462-L464 PolarHBondContact O-N 3.43Å; L462-V465 HydrophobicContact CB-CB 4.32Å; L462-V465 HydrophobicContact CB-CG2 3.77Å; L462-V465 HydrophobicContact CD2-CG2 4.09Å; L462-V465 HydrophobicContact CG-CG2 4.42Å; L462-V465 WeakPolarHBondContact O-CB 3.17Å; L462-V465 PolarHBondContact O-N 3.2Å; L462-L485 HydrophobicContact CB-CD1 3.89Å; L462-L485 HydrophobicContact CB-CD2 4.25Å; L462-L485 HydrophobicContact CB-CG 3.8Å; L462-L485 HydrophobicContact CD1-CD2 4.45Å
463L96.3Very high96.8Very high1 Ų122.4 Ų22.41%0.00512%0.119CC..THydrogen-bonded Turntrans-50.3-38.5-176.2-174.5149.7000113.1H249 T258 A484 C487H249-L463 HydrophobicContact CB-CD2 3.35Å; T258-L463 HydrophobicContact CG2-CD1 3.59Å; T258-L463 HydrophobicContact CG2-CG 4.45Å; L463-A484 WeakPolarHBondContact CA-O 3.34Å; L463-C487 WeakPolarHBondContact O-CB 3.39Å; L463-C487 PolarHBondContact O-N 3.37Å; L463-C487 PolarHBondContact O-SG 2.88Å
464L97.4Very high96.8Very high16 Ų1626.7 Ų26.78%0.08414%0.135CC..THydrogen-bonded Turntrans-86.2-10.4-178.2-59.2177.7000114.1H249 W341 R343 R444 L462 T466H249-L464 HydrophobicContact CB-CD2 4.05Å; W341-L464 HydrophobicContact CB-CD1 4.29Å; W341-L464 HydrophobicContact CB-CD2 3.81Å; W341-L464 HydrophobicContact CD2-CD1 4.2Å; W341-L464 HydrophobicContact CD2-CD2 4.22Å; W341-L464 HydrophobicContact CG-CD1 3.7Å; W341-L464 HydrophobicContact CG-CD2 3.86Å; W341-L464 HydrophobicContact CG-CG 4.48Å; R343-L464 HydrophobicContact CB-CD1 3.96Å; R343-L464 HydrophobicContact CG-CD1 4.44Å; R444-L464 VanDerWaalsContact CZ-O 3.23Å; R444-L464 PolarHBondContact NE-O 3.1Å; R444-L464 PolarHBondContact NH2-O 3.04Å; L462-L464 PolarHBondContact O-N 3.43Å; L464-T466 PolarHBondContact O-N 3.11Å
465V98.3Very high96.8Very high3 Ų325.1 Ų25.12%0.01813%0.125CC..  trans-61.5130.8-176.6173.10000110.4M438 R444 L446 L462 H467 L468 C487 L488M438-V465 HydrophobicContact CE-CG2 4.23Å; M438-V465 HydrophobicContact SD-CG2 3.81Å; R444-V465 WeakPolarHBondContact O-CA 3.42Å; L446-V465 HydrophobicContact CB-CG1 4.14Å; L446-V465 HydrophobicContact CB-CG2 4.42Å; L462-V465 HydrophobicContact CB-CB 4.32Å; L462-V465 HydrophobicContact CB-CG2 3.77Å; L462-V465 HydrophobicContact CD2-CG2 4.09Å; L462-V465 HydrophobicContact CG-CG2 4.42Å; L462-V465 WeakPolarHBondContact O-CB 3.17Å; L462-V465 PolarHBondContact O-N 3.2Å; V465-H467 VanDerWaalsContact CG1-O 3.29Å; V465-H467 WeakPolarHBondContact CG1-O 3.49Å; V465-L468 HydrophobicContact CG1-CB 4.31Å; V465-C487 CarbonylContact O-C 3.56Å; V465-L488 HydrophobicContact CG1-CD1 4.29Å; V465-L488 VanDerWaalsContact O-CA 3.31Å; V465-L488 WeakPolarHBondContact O-CA 3.44Å; V465-L488 PolarHBondContact O-N 3.15Å; V465-L488 VanDerWaalsContact O-N 3.13Å
466T98.5Very high96.7Very high17 Ų1730.5 Ų30.510%0.10414%0.14CC..  trans-101.7-31.517859.90000112.5R444 L464 C487 E489 V490R444-T466 HydrophobicContact CB-CG2 4.24Å; R444-T466 VanDerWaalsContact CZ-CG2 3.49Å; R444-T466 PolarHBondContact O-N 3.07Å; R444-T466 PolarHBondContact O-OG1 3.44Å; L464-T466 PolarHBondContact O-N 3.11Å; T466-C487 WeakPolarHBondContact CA-O 3.36Å; T466-C487 HydrophobicContact CG2-CB 4.4Å; T466-E489 PolarHBondContact O-N 2.86Å; T466-V490 PolarHBondContact O-N 3.28Å; T466-V490 VanDerWaalsContact O-N 3.09Å
467H98.8Very high96.6Very high69 Ų6933.4 Ų33.432%0.31916%0.159SC..EExtended strand (participates in β ladder)trans-129.4126.3179.5-65.562.9000109.2R444 V445 L446 V465 V490R444-H467 PolarHBondContact O-N 3.14Å; V445-H467 WeakPolarHBondContact CA-O 3.4Å; V445-H467 HydrophobicContact CB-CB 4.3Å; V445-H467 HydrophobicContact CG1-CB 3.89Å; V445-H467 HydrophobicContact CG2-CB 4.04Å; L446-H467 PolarHBondContact N-O 3.25Å; V465-H467 VanDerWaalsContact CG1-O 3.29Å; V465-H467 WeakPolarHBondContact CG1-O 3.49Å; H467-V490 WeakPolarHBondContact CA-O 3.43Å; H467-V490 WeakPolarHBondContact NE2-CG2 3.37Å
468L98.8Very high96.5Very high5 Ų531.9 Ų31.93%0.02615%0.148CC..EExtended strand (participates in β ladder)trans-126.4117.8179.5177.158.9000109.7L446 L448 V465 L470 L482 L485 L488 V490 L491 Q492L446-L468 HydrophobicContact CB-CD1 3.95Å; L446-L468 HydrophobicContact CD2-CD1 3.89Å; L446-L468 HydrophobicContact CG-CD1 4.09Å; L448-L468 HydrophobicContact CD1-CD1 4.09Å; V465-L468 HydrophobicContact CG1-CB 4.31Å; L468-L470 HydrophobicContact CD1-CD2 3.84Å; L468-L470 HydrophobicContact CD1-CG 4.2Å; L468-L470 HydrophobicContact CD2-CD1 4.03Å; L468-L470 HydrophobicContact CD2-CD2 4.28Å; L468-L470 HydrophobicContact CD2-CG 4.11Å; L468-L470 HydrophobicContact CG-CD1 4.32Å; L468-L470 HydrophobicContact CG-CD2 4.07Å; L468-L470 HydrophobicContact CG-CG 3.87Å; L468-L482 HydrophobicContact CD2-CD1 4.32Å; L468-L485 HydrophobicContact CD2-CD2 3.7Å; L468-L488 HydrophobicContact CB-CD1 3.57Å; L468-V490 PolarHBondContact N-O 3.37Å; L468-L491 HydrophobicContact CB-CD1 4.09Å; L468-L491 HydrophobicContact CD2-CD1 3.91Å; L468-L491 HydrophobicContact CG-CD1 3.97Å; L468-Q492 PolarHBondContact O-N 3.4Å
469D98.8Very high96.5Very high40 Ų4031.5 Ų31.521%0.21415%0.149CC..EExtended strand (participates in β ladder)trans-107.4105.1176.4-175.82.6000110.9L446 L448 A449 S471 Q492L446-D469 PolarHBondContact O-N 2.63Å; L448-D469 CarbonylContact C-O 3.36Å; L448-D469 WeakPolarHBondContact CA-O 3.37Å; L448-D469 VanDerWaalsContact CB-O 3.24Å; L448-D469 WeakPolarHBondContact CB-O 3.48Å; L448-D469 PolarHBondContact N-O 3.35Å; A449-D469 PolarHBondContact N-O 3.02Å; A449-D469 VanDerWaalsContact N-O 3.16Å; D469-S471 VanDerWaalsContact OD1-CB 3.3Å; D469-S471 WeakPolarHBondContact OD1-CB 3.28Å; D469-S471 PolarHBondContact OD1-N 2.86Å; D469-S471 PolarHBondContact OD1-OG 3.03Å; D469-Q492 HydrophobicContact CB-CB 4.44Å; D469-Q492 VanDerWaalsContact OD1-CG 3.29Å; D469-Q492 WeakPolarHBondContact OD1-CG 3.4Å
470L98.6Very high96.3Very high0 Ų035.1 Ų35.10%017%0.173CC..  trans-104.912.9175.7-58.5178000112.3L448 L456 L468 N473 L475 L478 L491 Q492 A493 N496L448-L470 HydrophobicContact CB-CD2 3.89Å; L448-L470 HydrophobicContact CD1-CD2 3.74Å; L448-L470 HydrophobicContact CG-CD2 4.47Å; L456-L470 HydrophobicContact CD1-CD1 3.87Å; L456-L470 HydrophobicContact CD2-CD1 4.34Å; L456-L470 HydrophobicContact CD2-CD2 3.79Å; L468-L470 HydrophobicContact CD1-CD2 3.84Å; L468-L470 HydrophobicContact CD1-CG 4.2Å; L468-L470 HydrophobicContact CD2-CD1 4.03Å; L468-L470 HydrophobicContact CD2-CD2 4.28Å; L468-L470 HydrophobicContact CD2-CG 4.11Å; L468-L470 HydrophobicContact CG-CD1 4.32Å; L468-L470 HydrophobicContact CG-CD2 4.07Å; L468-L470 HydrophobicContact CG-CG 3.87Å; L470-N473 PolarHBondContact O-ND2 2.92Å; L470-L475 HydrophobicContact CB-CD1 4.05Å; L470-L475 HydrophobicContact CD1-CD1 3.88Å; L470-L475 HydrophobicContact CG-CD1 4.37Å; L470-L478 HydrophobicContact CD1-CD2 4.08Å; L470-L491 HydrophobicContact CD1-CD1 4.06Å; L470-L491 HydrophobicContact CG-CD1 4.41Å; L470-Q492 WeakPolarHBondContact CA-O 3.43Å; L470-Q492 PolarHBondContact N-O 3.22Å; L470-A493 HydrophobicContact CB-CB 4.43Å; L470-N496 PolarHBondContact O-ND2 2.65Å
471S98.6Very high96.4Very high11 Ų1136.5 Ų36.58%0.07719%0.189CC..  trans-62.2153.2-173.657.50000113.6A449 H450 D469 N473 S494A449-S471 WeakPolarHBondContact CA-O 3.45Å; A449-S471 WeakPolarHBondContact CB-OG 3.44Å; H450-S471 PolarHBondContact N-O 3.46Å; H450-S471 VanDerWaalsContact N-O 3.11Å; D469-S471 VanDerWaalsContact OD1-CB 3.3Å; D469-S471 WeakPolarHBondContact OD1-CB 3.28Å; D469-S471 PolarHBondContact OD1-N 2.86Å; D469-S471 PolarHBondContact OD1-OG 3.03Å; S471-N473 PolarHBondContact O-N 3.2Å; S471-N473 PolarHBondContact O-ND2 3.13Å; S471-S494 CarbonylContact C-O 3.6Å; S471-S494 WeakPolarHBondContact CA-O 3.47Å
472H98.7Very high96.5Very high81 Ų8136 Ų3638%0.37519%0.186SC..SBendtrans56.454.6176.1-56.3-74.9000113.5H450 S494 D495H450-H472 WeakPolarHBondContact CA-O 3.44Å; H450-H472 VanDerWaalsContact CE1-CB 3.41Å; H450-H472 WeakPolarHBondContact CE1-CB 3.25Å; H450-H472 AromaticContact CE1-CD2 3.13Å; H450-H472 PolarHBondContact CE1-CD2 3.45Å; H450-H472 AromaticContact CE1-CG 3.19Å; H450-H472 AromaticContact CE1-ND1 3.88Å; H450-H472 AromaticContact CE1-NE2 3.8Å; H450-H472 PolarHBondContact N-O 3.32Å; H450-H472 VanDerWaalsContact ND1-CB 3.28Å; H450-H472 WeakPolarHBondContact ND1-CB 3.37Å; H450-H472 AromaticContact ND1-CD2 3.94Å; H450-H472 AromaticContact ND1-CG 3.64Å; H450-H472 AromaticContact NE2-CD2 3.28Å; H450-H472 PolarHBondContact NE2-CD2 3.42Å; H450-H472 VanDerWaalsContact NE2-CD2 3.28Å; H450-H472 AromaticContact NE2-CG 3.79Å; H472-S494 PolarHBondContact N-O 3.45Å; H472-D495 WeakPolarHBondContact CA-O 3.36Å; H472-D495 VanDerWaalsContact CE1-CG 3.42Å; H472-D495 IonicContact CE1-OD2 2.76Å; H472-D495 PolarHBondContact CE1-OD2 3.44Å; H472-D495 PolarHBondContact N-O 3.49Å; H472-D495 VanDerWaalsContact ND1-CB 3.32Å; H472-D495 WeakPolarHBondContact ND1-CB 3.48Å; H472-D495 IonicContact ND1-OD2 2.92Å; H472-D495 IonicContact NE2-OD2 3.97Å
473N98.8Very high96.2Very high11 Ų1136.6 Ų36.66%0.05919%0.191CC..SBendtrans-128.9-171176.3-76-59.7000110.5L448 K451 D452 L453 L470 S471 L475 D495 N496L448-N473 PolarHBondContact O-ND2 3.47Å; K451-N473 VanDerWaalsContact C-OD1 3.26Å; K451-N473 WeakPolarHBondContact CA-OD1 3.46Å; K451-N473 PolarHBondContact N-OD1 3.27Å; D452-N473 PolarHBondContact N-OD1 3Å; L453-N473 HydrophobicContact CB-CB 4.06Å; L453-N473 WeakPolarHBondContact CG-OD1 3.37Å; L453-N473 PolarHBondContact N-OD1 3.43Å; L470-N473 PolarHBondContact O-ND2 2.92Å; S471-N473 PolarHBondContact O-N 3.2Å; S471-N473 PolarHBondContact O-ND2 3.13Å; N473-L475 HydrophobicContact CB-CG 4.28Å; N473-D495 PolarHBondContact N-O 3.05Å; N473-N496 WeakPolarHBondContact CA-OD1 3.37Å; N473-N496 WeakPolarHBondContact CB-OD1 3.35Å; N473-N496 PolarHBondContact O-OD1 2.93Å
474R98.2Very high96.1Very high90 Ų9036.8 Ų36.834%0.3419%0.193SC..  trans-115.127.2179.8-68.7-168.5-76.1146.5-4.3112.3D423 D452 L453 T454 R476 N496D423-R474 IonicContact OD1-NH2 2.67Å; D423-R474 PolarHBondContact OD1-NH2 2.76Å; D423-R474 IonicContact OD2-CZ 2.75Å; D423-R474 IonicContact OD2-NH1 3.7Å; D423-R474 PolarHBondContact OD2-NH1 2.92Å; D423-R474 IonicContact OD2-NH2 3.42Å; D423-R474 PolarHBondContact OD2-NH2 3.13Å; D452-R474 VanDerWaalsContact CG-NH2 3.29Å; D452-R474 WeakPolarHBondContact OD1-CD 3.29Å; D452-R474 IonicContact OD1-CZ 2.71Å; D452-R474 IonicContact OD1-NE 2.94Å; D452-R474 PolarHBondContact OD1-NE 2.88Å; D452-R474 IonicContact OD1-NH2 3.38Å; D452-R474 PolarHBondContact OD1-NH2 3.41Å; D452-R474 IonicContact OD2-CZ 2.96Å; D452-R474 IonicContact OD2-NE 3.38Å; D452-R474 IonicContact OD2-NH2 3.47Å; D452-R474 PolarHBondContact OD2-NH2 3.01Å; L453-R474 CarbonylContact O-C 3.56Å; L453-R474 VanDerWaalsContact O-C 3.22Å; L453-R474 VanDerWaalsContact O-CA 3.29Å; L453-R474 WeakPolarHBondContact O-CA 3.39Å; L453-R474 PolarHBondContact O-N 3.14Å; T454-R474 HydrophobicContact CG2-CB 4.18Å; R474-R476 PolarHBondContact O-N 3.17Å; R474-N496 PolarHBondContact N-OD1 3.19Å
475L98Very high96Very high1 Ų136 Ų361%0.00519%0.189CC..  trans-67.4131.2-178.6-59.7174.1000110.2L453 L456 L470 N473 N496 A497 I498L453-L475 HydrophobicContact CB-CD2 4.05Å; L453-L475 PolarHBondContact O-N 2.73Å; L456-L475 HydrophobicContact CD2-CD1 4.16Å; L456-L475 HydrophobicContact CD2-CD2 4.21Å; L456-L475 HydrophobicContact CG-CD1 4.35Å; L456-L475 HydrophobicContact CG-CD2 4.16Å; L470-L475 HydrophobicContact CB-CD1 4.05Å; L470-L475 HydrophobicContact CD1-CD1 3.88Å; L470-L475 HydrophobicContact CG-CD1 4.37Å; N473-L475 HydrophobicContact CB-CG 4.28Å; L475-N496 HydrophobicContact CB-CB 4.46Å; L475-N496 VanDerWaalsContact CB-OD1 3.28Å; L475-N496 WeakPolarHBondContact CB-OD1 3.48Å; L475-N496 WeakPolarHBondContact CG-OD1 3.46Å; L475-N496 PolarHBondContact N-OD1 2.86Å; L475-A497 CarbonylContact O-C 3.53Å; L475-A497 VanDerWaalsContact O-CA 3.25Å; L475-A497 WeakPolarHBondContact O-CA 3.31Å; L475-A497 PolarHBondContact O-N 3.42Å; L475-I498 HydrophobicContact CB-CG1 4.37Å; L475-I498 PolarHBondContact O-N 2.77Å; L475-I498 VanDerWaalsContact O-N 3.15Å
476R95.9Very high95.9Very high164 Ų16437.1 Ų37.162%0.61919%0.193SC*.  trans-97.3-23.5176.8-63.5-173-173.9-1741.9114.1R474 A497 I498 E499R474-R476 PolarHBondContact O-N 3.17Å; R476-A497 WeakPolarHBondContact CA-O 3.28Å; R476-A497 HydrophobicContact CG-CB 4.23Å; R476-I498 CarbonylContact O-C 3.43Å; R476-I498 VanDerWaalsContact O-CA 3.32Å; R476-I498 WeakPolarHBondContact O-CA 3.39Å; R476-E499 PolarHBondContact O-N 2.94Å
477T93.9Very high95.9Very high77 Ų7736.3 Ų36.347%0.47219%0.188SC..BIsolated β-bridgetrans-150.9149.1-176.857.10000109.3
478L93.5Very high95.9Very high3 Ų333 Ų332%0.01617%0.173CC..  trans-90.9120.4163.4-63.6176.7000108.3L456 L470 L482 L491 I498 L501 G503 V504L456-L478 HydrophobicContact CD1-CD2 4.31Å; L470-L478 HydrophobicContact CD1-CD2 4.08Å; L478-L482 HydrophobicContact CB-CD2 4.19Å; L478-L482 HydrophobicContact CD1-CD2 4.32Å; L478-L491 HydrophobicContact CD1-CD2 4.09Å; L478-I498 HydrophobicContact CD1-CD1 4.44Å; L478-I498 HydrophobicContact CD2-CD1 4.25Å; L478-I498 HydrophobicContact CG-CD1 4.19Å; L478-L501 HydrophobicContact CD1-CD2 4.16Å; L478-G503 WeakPolarHBondContact O-CA 3.49Å; L478-G503 PolarHBondContact O-N 2.97Å; L478-G503 VanDerWaalsContact O-N 3.09Å; L478-V504 HydrophobicContact CB-CG2 4.14Å; L478-V504 HydrophobicContact CD1-CG2 3.33Å; L478-V504 HydrophobicContact CG-CG2 4.37Å
479P92.6Very high95.8Very high33 Ų3335.4 Ų35.421%0.21418%0.184CC..  trans-76.6152.8-172.131.1-35.5000111.8L456 L459 A481 L482 G503L456-P479 HydrophobicContact CB-CG 4.38Å; L459-P479 HydrophobicContact CD1-CG 3.68Å; P479-A481 PolarHBondContact O-N 3.3Å; P479-L482 VanDerWaalsContact O-CB 3.23Å; P479-L482 WeakPolarHBondContact O-CB 3.23Å; P479-L482 PolarHBondContact O-N 3.49Å; P479-G503 VanDerWaalsContact O-CA 3.3Å; P479-G503 WeakPolarHBondContact O-CA 3.3Å
480P90.5Very high95.8Very high80 Ų8034.7 Ų34.752%0.51918%0.181SC..G310 helixtrans-53.5-25.1174.9-2936.5000115.3L482 A483P480-L482 PolarHBondContact O-N 2.99Å; P480-A483 WeakPolarHBondContact O-CB 3.47Å; P480-A483 PolarHBondContact O-N 2.92Å
481A91.8Very high95.8Very high53 Ų5334.7 Ų34.744%0.43818%0.181SC..G310 helixtrans-63-16.3174.900000113.6L459 P479 A483 A484L459-A481 HydrophobicContact CB-CB 4.46Å; L459-A481 HydrophobicContact CD1-CB 4.09Å; P479-A481 PolarHBondContact O-N 3.3Å; A481-A483 PolarHBondContact O-N 3.42Å; A481-A484 WeakPolarHBondContact O-CB 3.35Å; A481-A484 PolarHBondContact O-N 3.05Å; A481-A484 VanDerWaalsContact O-N 3.14Å
482L94.1Very high95.8Very high0 Ų036.4 Ų36.40%019%0.188CC..G310 helixtrans-62.4-21.5175.2-165.474.4000112.6L456 L459 L468 L478 P479 P480 A484 L485 L491 V504 L507L456-L482 HydrophobicContact CD1-CD1 4.49Å; L459-L482 HydrophobicContact CD1-CB 4.17Å; L459-L482 HydrophobicContact CD1-CD1 4.07Å; L459-L482 HydrophobicContact CD2-CD1 4.3Å; L468-L482 HydrophobicContact CD2-CD1 4.32Å; L478-L482 HydrophobicContact CB-CD2 4.19Å; L478-L482 HydrophobicContact CD1-CD2 4.32Å; P479-L482 VanDerWaalsContact O-CB 3.23Å; P479-L482 WeakPolarHBondContact O-CB 3.23Å; P479-L482 PolarHBondContact O-N 3.49Å; P480-L482 PolarHBondContact O-N 2.99Å; L482-A484 PolarHBondContact O-N 2.93Å; L482-L485 HydrophobicContact CD1-CD1 4.04Å; L482-L485 HydrophobicContact CD1-CD2 3.89Å; L482-L485 WeakPolarHBondContact O-CD1 3.25Å; L482-L485 PolarHBondContact O-N 3.47Å; L482-L491 HydrophobicContact CD2-CD2 4.14Å; L482-V504 HydrophobicContact CD2-CG2 4.35Å; L482-L507 HydrophobicContact CD2-CD1 4.49Å; L482-L507 WeakPolarHBondContact O-CD2 3.35Å
483A90.8Very high95.8Very high13 Ų1332.6 Ų32.611%0.10717%0.17CC..G310 helixtrans-57.3-13.2172.400000114P290 P480 A481 L485 R486P290-A483 HydrophobicContact CB-CB 4.16Å; P290-A483 HydrophobicContact CG-CB 4.45Å; P480-A483 WeakPolarHBondContact O-CB 3.47Å; P480-A483 PolarHBondContact O-N 2.92Å; A481-A483 PolarHBondContact O-N 3.42Å; A483-L485 VanDerWaalsContact C-N 3.28Å; A483-L485 PolarHBondContact O-N 3.49Å; A483-R486 WeakPolarHBondContact O-CD 3.44Å
484A93.6Very high95.8Very high6 Ų632.3 Ų32.35%0.0517%0.169CC..G310 helixtrans-66.9-24.7172.200000114V299 L463 A481 L482 R486V299-A484 HydrophobicContact CG2-CB 3.56Å; L463-A484 WeakPolarHBondContact CA-O 3.34Å; A481-A484 WeakPolarHBondContact O-CB 3.35Å; A481-A484 PolarHBondContact O-N 3.05Å; A481-A484 VanDerWaalsContact O-N 3.14Å; L482-A484 PolarHBondContact O-N 2.93Å; A484-R486 PolarHBondContact O-N 3.4Å
485L96.4Very high95.8Very high0 Ų030.6 Ų30.60%017%0.166CC..  trans-81.265.8-175.1-75.168.7000111.3L459 L462 L468 L482 A483 C487 L488 L507L459-L485 HydrophobicContact CB-CD1 4.01Å; L459-L485 HydrophobicContact CD2-CD1 4.32Å; L459-L485 WeakPolarHBondContact O-CD1 3.49Å; L462-L485 HydrophobicContact CB-CD1 3.89Å; L462-L485 HydrophobicContact CB-CD2 4.25Å; L462-L485 HydrophobicContact CB-CG 3.8Å; L462-L485 HydrophobicContact CD1-CD2 4.45Å; L468-L485 HydrophobicContact CD2-CD2 3.7Å; L482-L485 HydrophobicContact CD1-CD1 4.04Å; L482-L485 HydrophobicContact CD1-CD2 3.89Å; L482-L485 WeakPolarHBondContact O-CD1 3.25Å; L482-L485 PolarHBondContact O-N 3.47Å; A483-L485 VanDerWaalsContact C-N 3.28Å; A483-L485 PolarHBondContact O-N 3.49Å; L485-C487 PolarHBondContact O-N 3.08Å; L485-L488 HydrophobicContact CB-CB 3.99Å; L485-L488 HydrophobicContact CB-CD2 4.38Å; L485-L488 HydrophobicContact CD2-CD1 4.43Å; L485-L488 HydrophobicContact CD2-CD2 4.05Å; L485-L488 WeakPolarHBondContact O-CB 3.28Å; L485-L488 PolarHBondContact O-N 3.31Å; L485-L488 VanDerWaalsContact O-N 3.15Å; L485-L507 HydrophobicContact CB-CD2 4.44Å; L485-L507 WeakPolarHBondContact O-CD2 3.24Å
486R95.4Very high95.9Very high26 Ų2631.2 Ų31.210%0.09817%0.17CC..THydrogen-bonded Turntrans-66.3-21.4-173-61-63.6-68.9177.10.3113.9T258 A483 A484 N506 P508T258-R486 HydrophobicContact CG2-CG 3.79Å; A483-R486 WeakPolarHBondContact O-CD 3.44Å; A484-R486 PolarHBondContact O-N 3.4Å; R486-N506 PolarHBondContact NH1-O 3.39Å; R486-P508 HydrophobicContact CB-CG 4.47Å; R486-P508 VanDerWaalsContact O-CG 3.28Å; R486-P508 WeakPolarHBondContact O-CG 3.46Å
487C97.8Very high96Very high0 Ų024 Ų240%015%0.145CC..THydrogen-bonded Turntrans-95.42.2177.8-61.50000114.2H249 R444 L463 V465 T466 L485 E489H249-C487 PolarHBondContact CE1-SG 3.09Å; H249-C487 PolarHBondContact NE2-SG 2.87Å; H249-C487 VanDerWaalsContact NE2-SG 3.42Å; R444-C487 VanDerWaalsContact NH2-CB 3.32Å; L463-C487 WeakPolarHBondContact O-CB 3.39Å; L463-C487 PolarHBondContact O-N 3.37Å; L463-C487 PolarHBondContact O-SG 2.88Å; V465-C487 CarbonylContact O-C 3.56Å; T466-C487 WeakPolarHBondContact CA-O 3.36Å; T466-C487 HydrophobicContact CG2-CB 4.4Å; L485-C487 PolarHBondContact O-N 3.08Å; C487-E489 PolarHBondContact O-N 3.23Å
488L98.4Very high96.1Very high0 Ų020.3 Ų20.30%012%0.122CC..  trans-68.7124-174.4-171.367.7000111.3V465 L468 L485 V490 L491 L507 R509 L510V465-L488 HydrophobicContact CG1-CD1 4.29Å; V465-L488 VanDerWaalsContact O-CA 3.31Å; V465-L488 WeakPolarHBondContact O-CA 3.44Å; V465-L488 PolarHBondContact O-N 3.15Å; V465-L488 VanDerWaalsContact O-N 3.13Å; L468-L488 HydrophobicContact CB-CD1 3.57Å; L485-L488 HydrophobicContact CB-CB 3.99Å; L485-L488 HydrophobicContact CB-CD2 4.38Å; L485-L488 HydrophobicContact CD2-CD1 4.43Å; L485-L488 HydrophobicContact CD2-CD2 4.05Å; L485-L488 WeakPolarHBondContact O-CB 3.28Å; L485-L488 PolarHBondContact O-N 3.31Å; L485-L488 VanDerWaalsContact O-N 3.15Å; L488-V490 WeakPolarHBondContact CD1-O 3.39Å; L488-L491 HydrophobicContact CD2-CB 4.04Å; L488-L491 HydrophobicContact CD2-CD1 4.46Å; L488-L491 HydrophobicContact CD2-CD2 4.34Å; L488-L507 HydrophobicContact CD2-CD1 4.31Å; L488-R509 CarbonylContact O-C 3.54Å; L488-L510 HydrophobicContact CD2-CD1 4.34Å; L488-L510 HydrophobicContact CG-CD1 4.28Å; L488-L510 WeakPolarHBondContact O-CA 3.29Å; L488-L510 PolarHBondContact O-N 2.69Å
489E98.5Very high96.2Very high55 Ų5524.9 Ų24.926%0.25714%0.144SC..  trans-108.2-41.2179.9-68.9170.1-175.200111T466 C487 R509 Q511 E512T466-E489 PolarHBondContact O-N 2.86Å; C487-E489 PolarHBondContact O-N 3.23Å; E489-R509 WeakPolarHBondContact CA-O 3.45Å; E489-R509 HydrophobicContact CG-CB 4.21Å; E489-Q511 PolarHBondContact O-N 3.2Å; E489-E512 PolarHBondContact O-N 3.11Å
490V98.8Very high96.1Very high25 Ų2524.6 Ų24.615%0.15214%0.142CC..EExtended strand (participates in β ladder)trans-124.1119.8-178.9-178.40000110.1T466 H467 L468 L488 E512T466-V490 PolarHBondContact O-N 3.28Å; T466-V490 VanDerWaalsContact O-N 3.09Å; H467-V490 WeakPolarHBondContact CA-O 3.43Å; H467-V490 WeakPolarHBondContact NE2-CG2 3.37Å; L468-V490 PolarHBondContact N-O 3.37Å; L488-V490 WeakPolarHBondContact CD1-O 3.39Å; V490-E512 HydrophobicContact CB-CB 4.48Å; V490-E512 HydrophobicContact CG1-CB 4.19Å; V490-E512 HydrophobicContact CG2-CB 4.17Å; V490-E512 HydrophobicContact CG2-CG 4.34Å
491L98.6Very high96.2Very high0 Ų020.8 Ų20.80%012%0.118CC..EExtended strand (participates in β ladder)trans-113.8105.6171.4-179.652.3000110L468 L470 L478 L482 L488 A493 L510 E512 L513 L514L468-L491 HydrophobicContact CB-CD1 4.09Å; L468-L491 HydrophobicContact CD2-CD1 3.91Å; L468-L491 HydrophobicContact CG-CD1 3.97Å; L470-L491 HydrophobicContact CD1-CD1 4.06Å; L470-L491 HydrophobicContact CG-CD1 4.41Å; L478-L491 HydrophobicContact CD1-CD2 4.09Å; L482-L491 HydrophobicContact CD2-CD2 4.14Å; L488-L491 HydrophobicContact CD2-CB 4.04Å; L488-L491 HydrophobicContact CD2-CD1 4.46Å; L488-L491 HydrophobicContact CD2-CD2 4.34Å; L491-A493 HydrophobicContact CD1-CB 4.48Å; L491-A493 HydrophobicContact CG-CB 4.41Å; L491-L510 HydrophobicContact CB-CD1 3.79Å; L491-E512 PolarHBondContact N-O 2.93Å; L491-L513 HydrophobicContact CB-CD1 3.85Å; L491-L513 HydrophobicContact CD2-CD1 3.74Å; L491-L513 HydrophobicContact CG-CD1 3.79Å; L491-L514 PolarHBondContact O-N 3.47Å
492Q98.6Very high95.9Very high47 Ų4723 Ų2322%0.2212%0.122CC..EExtended strand (participates in β ladder)trans-93111.6170.417160.3-80.800109L468 D469 L470 S494 L514L468-Q492 PolarHBondContact O-N 3.4Å; D469-Q492 HydrophobicContact CB-CB 4.44Å; D469-Q492 VanDerWaalsContact OD1-CG 3.29Å; D469-Q492 WeakPolarHBondContact OD1-CG 3.4Å; L470-Q492 WeakPolarHBondContact CA-O 3.43Å; L470-Q492 PolarHBondContact N-O 3.22Å; Q492-S494 PolarHBondContact OE1-OG 2.93Å; Q492-L514 HydrophobicContact CB-CD1 4.43Å; Q492-L514 VanDerWaalsContact OE1-CB 3.3Å; Q492-L514 PolarHBondContact OE1-O 3.37Å
493A98.3Very high95.3Very high0 Ų023 Ų230%012%0.122CC..  trans-134.127.1-178.700000112.2L470 L491 N496 I498 L514 L515 N518L470-A493 HydrophobicContact CB-CB 4.43Å; L491-A493 HydrophobicContact CD1-CB 4.48Å; L491-A493 HydrophobicContact CG-CB 4.41Å; A493-N496 PolarHBondContact O-ND2 2.74Å; A493-I498 HydrophobicContact CB-CD1 3.97Å; A493-L514 CarbonylContact C-O 3.44Å; A493-L514 WeakPolarHBondContact CA-O 3.44Å; A493-L514 PolarHBondContact N-O 2.96Å; A493-L515 HydrophobicContact CB-CD2 3.92Å; A493-N518 PolarHBondContact O-ND2 2.87Å
494S98.6Very high95.2Very high6 Ų622.3 Ų22.34%0.04212%0.117CC..  trans-64.3159176-58.10000112.6S471 H472 Q492 N496 L514 C516S471-S494 CarbonylContact C-O 3.6Å; S471-S494 WeakPolarHBondContact CA-O 3.47Å; H472-S494 PolarHBondContact N-O 3.45Å; Q492-S494 PolarHBondContact OE1-OG 2.93Å; S494-N496 PolarHBondContact O-N 2.95Å; S494-N496 PolarHBondContact O-ND2 3.44Å; S494-L514 PolarHBondContact N-O 3.37Å; S494-C516 CarbonylContact C-O 3.22Å; S494-C516 WeakPolarHBondContact CA-O 3.49Å; S494-C516 WeakPolarHBondContact OG-CB 3.38Å; S494-C516 PolarHBondContact OG-N 3.2Å
495D98.6Very high94.9Very high53 Ų5323.8 Ų23.828%0.28313%0.125SC..SBendtrans5654.6173.9-56.5-76.8000112.4H472 N473 C516 N517H472-D495 WeakPolarHBondContact CA-O 3.36Å; H472-D495 VanDerWaalsContact CE1-CG 3.42Å; H472-D495 IonicContact CE1-OD2 2.76Å; H472-D495 PolarHBondContact CE1-OD2 3.44Å; H472-D495 PolarHBondContact N-O 3.49Å; H472-D495 VanDerWaalsContact ND1-CB 3.32Å; H472-D495 WeakPolarHBondContact ND1-CB 3.48Å; H472-D495 IonicContact ND1-OD2 2.92Å; H472-D495 IonicContact NE2-OD2 3.97Å; N473-D495 PolarHBondContact N-O 3.05Å; D495-C516 PolarHBondContact N-O 3.15Å; D495-N517 WeakPolarHBondContact OD1-CB 3.38Å; D495-N517 PolarHBondContact OD1-ND2 3.48Å
496N98.7Very high94.4Very high14 Ų1426.2 Ų26.28%0.07514%0.138CC..SBendtrans-128.5-167.6175.7-87.9-87000110.1L470 N473 R474 L475 A493 S494 I498 N518L470-N496 PolarHBondContact O-ND2 2.65Å; N473-N496 WeakPolarHBondContact CA-OD1 3.37Å; N473-N496 WeakPolarHBondContact CB-OD1 3.35Å; N473-N496 PolarHBondContact O-OD1 2.93Å; R474-N496 PolarHBondContact N-OD1 3.19Å; L475-N496 HydrophobicContact CB-CB 4.46Å; L475-N496 VanDerWaalsContact CB-OD1 3.28Å; L475-N496 WeakPolarHBondContact CB-OD1 3.48Å; L475-N496 WeakPolarHBondContact CG-OD1 3.46Å; L475-N496 PolarHBondContact N-OD1 2.86Å; A493-N496 PolarHBondContact O-ND2 2.74Å; S494-N496 PolarHBondContact O-N 2.95Å; S494-N496 PolarHBondContact O-ND2 3.44Å; N496-I498 HydrophobicContact CB-CD1 4.08Å; N496-I498 HydrophobicContact CB-CG1 3.95Å; N496-N518 WeakPolarHBondContact CA-OD1 3.28Å; N496-N518 WeakPolarHBondContact CB-OD1 3.4Å; N496-N518 PolarHBondContact O-OD1 3Å
497A98Very high94.4Very high12 Ų1225 Ų2510%0.09913%0.133CC..  trans-114.130.4175.500000111.7L475 R476 E499L475-A497 CarbonylContact O-C 3.53Å; L475-A497 VanDerWaalsContact O-CA 3.25Å; L475-A497 WeakPolarHBondContact O-CA 3.31Å; L475-A497 PolarHBondContact O-N 3.42Å; R476-A497 WeakPolarHBondContact CA-O 3.28Å; R476-A497 HydrophobicContact CG-CB 4.23Å; A497-E499 PolarHBondContact O-N 3Å
498I97.6Very high94.3Very high0 Ų025.4 Ų25.40%014%0.136CC..  trans-68124.9-169.8-61.2166.4000110.7L475 R476 L478 A493 N496 S500 L501 L515 N518 R519 L520L475-I498 HydrophobicContact CB-CG1 4.37Å; L475-I498 PolarHBondContact O-N 2.77Å; L475-I498 VanDerWaalsContact O-N 3.15Å; R476-I498 CarbonylContact O-C 3.43Å; R476-I498 VanDerWaalsContact O-CA 3.32Å; R476-I498 WeakPolarHBondContact O-CA 3.39Å; L478-I498 HydrophobicContact CD1-CD1 4.44Å; L478-I498 HydrophobicContact CD2-CD1 4.25Å; L478-I498 HydrophobicContact CG-CD1 4.19Å; A493-I498 HydrophobicContact CB-CD1 3.97Å; N496-I498 HydrophobicContact CB-CD1 4.08Å; N496-I498 HydrophobicContact CB-CG1 3.95Å; I498-S500 WeakPolarHBondContact CG2-O 3.43Å; I498-L501 HydrophobicContact CG2-CD2 3.87Å; I498-L515 HydrophobicContact CD1-CD2 4.05Å; I498-N518 HydrophobicContact CB-CB 4.27Å; I498-N518 VanDerWaalsContact CB-OD1 3.24Å; I498-N518 WeakPolarHBondContact CB-OD1 3.39Å; I498-N518 WeakPolarHBondContact CG1-OD1 3.39Å; I498-N518 PolarHBondContact N-OD1 2.95Å; I498-R519 CarbonylContact O-C 3.39Å; I498-R519 WeakPolarHBondContact O-CA 3.4Å; I498-R519 PolarHBondContact O-N 3.43Å; I498-L520 HydrophobicContact CG2-CD2 4.31Å; I498-L520 PolarHBondContact O-N 3.09Å
499E95.1Very high94.2Very high100 Ų10026.1 Ų26.147%0.46714%0.139SC..  trans-110.2-21.4-179.8-68.2171-160.100112.5R476 A497 R519R476-E499 PolarHBondContact O-N 2.94Å; A497-E499 PolarHBondContact O-N 3Å; E499-R519 HydrophobicContact CG-CB 3.76Å
500S90.4Very high94.2Very high26 Ų2623.5 Ų23.518%0.18213%0.127CC..BIsolated β-bridgetrans-140.2144.6178.9169.70000112.4I498 D502I498-S500 WeakPolarHBondContact CG2-O 3.43Å; S500-D502 PolarHBondContact OG-N 2.66Å; S500-D502 PolarHBondContact OG-OD2 3.3Å
501L91.3Very high94.1Very high0 Ų025.7 Ų25.70%014%0.135CC..  trans-108.818176.8-57.2-178.3000113.6L478 I498 G503 V504 L515 L520 L526 P528 L529L478-L501 HydrophobicContact CD1-CD2 4.16Å; I498-L501 HydrophobicContact CG2-CD2 3.87Å; L501-G503 PolarHBondContact O-N 3.13Å; L501-V504 HydrophobicContact CB-CG2 4.17Å; L501-V504 HydrophobicContact CD2-CG2 4.33Å; L501-V504 WeakPolarHBondContact O-CB 3.31Å; L501-V504 PolarHBondContact O-N 2.68Å; L501-L515 HydrophobicContact CD1-CD1 3.62Å; L501-L515 HydrophobicContact CD2-CD1 3.77Å; L501-L515 HydrophobicContact CD2-CD2 4.01Å; L501-L515 HydrophobicContact CG-CD1 4.35Å; L501-L520 HydrophobicContact CD1-CD1 4.28Å; L501-L520 HydrophobicContact CD2-CD2 4.34Å; L501-L520 HydrophobicContact CG-CD1 4.5Å; L501-L520 HydrophobicContact CG-CD2 4.05Å; L501-L526 HydrophobicContact CD1-CD2 3.58Å; L501-P528 HydrophobicContact CB-CB 4.48Å; L501-P528 HydrophobicContact CB-CG 4.49Å; L501-P528 VanDerWaalsContact O-CB 3.27Å; L501-P528 WeakPolarHBondContact O-CB 3.5Å; L501-L529 HydrophobicContact CD1-CD1 3.9Å; L501-L529 HydrophobicContact CD1-CD2 4.14Å; L501-L529 HydrophobicContact CD1-CG 4.09Å
502D85.7Confident94.1Very high99 Ų9929.5 Ų29.553%0.52915%0.153SC..G310 helixtrans-55.4-27.8-178.3-66.5-35.6000113.2S500 V504 T505S500-D502 PolarHBondContact OG-N 2.66Å; S500-D502 PolarHBondContact OG-OD2 3.3Å; D502-V504 VanDerWaalsContact C-N 3.33Å; D502-V504 PolarHBondContact O-N 3.28Å; D502-T505 WeakPolarHBondContact O-CG2 3.28Å; D502-T505 PolarHBondContact O-OG1 2.77Å
503G82Confident94.1Very high0 Ų027.3 Ų27.30%014%0.143CC..G310 helixtrans-74.2-16.1176.400000116L478 P479 L501 T505L478-G503 WeakPolarHBondContact O-CA 3.49Å; L478-G503 PolarHBondContact O-N 2.97Å; L478-G503 VanDerWaalsContact O-N 3.09Å; P479-G503 VanDerWaalsContact O-CA 3.3Å; P479-G503 WeakPolarHBondContact O-CA 3.3Å; L501-G503 PolarHBondContact O-N 3.13Å; G503-T505 VanDerWaalsContact C-N 3.25Å; G503-T505 PolarHBondContact O-N 2.94Å
504V88.8Confident94.1Very high0 Ų028.8 Ų28.80%015%0.151CC..G310 helixtrans-84.7-1.4-175.9-167.70000111.7L478 L482 L501 D502 L507 L510 L513 L529 C532L478-V504 HydrophobicContact CB-CG2 4.14Å; L478-V504 HydrophobicContact CD1-CG2 3.33Å; L478-V504 HydrophobicContact CG-CG2 4.37Å; L482-V504 HydrophobicContact CD2-CG2 4.35Å; L501-V504 HydrophobicContact CB-CG2 4.17Å; L501-V504 HydrophobicContact CD2-CG2 4.33Å; L501-V504 WeakPolarHBondContact O-CB 3.31Å; L501-V504 PolarHBondContact O-N 2.68Å; D502-V504 VanDerWaalsContact C-N 3.33Å; D502-V504 PolarHBondContact O-N 3.28Å; V504-L507 HydrophobicContact CG1-CD1 3.85Å; V504-L510 HydrophobicContact CG1-CD2 3.72Å; V504-L513 HydrophobicContact CG1-CD2 4.14Å; V504-L529 HydrophobicContact CB-CD2 4.05Å; V504-L529 HydrophobicContact CG1-CD2 3.65Å; V504-C532 PolarHBondContact O-SG 3.09Å
505T86.9Confident94.1Very high37 Ų3728.5 Ų28.523%0.22715%0.149CC..THydrogen-bonded Turntrans-61.5144.1178.558.30000112.6D502 G503 L507 P528 S531D502-T505 WeakPolarHBondContact O-CG2 3.28Å; D502-T505 PolarHBondContact O-OG1 2.77Å; G503-T505 VanDerWaalsContact C-N 3.25Å; G503-T505 PolarHBondContact O-N 2.94Å; T505-L507 VanDerWaalsContact C-N 3.34Å; T505-L507 PolarHBondContact O-N 3.39Å; T505-P528 HydrophobicContact CG2-CB 3.6Å; T505-P528 HydrophobicContact CG2-CG 4.38Å; T505-S531 VanDerWaalsContact CA-OG 3.25Å; T505-S531 WeakPolarHBondContact CA-OG 3.48Å
506N87.3Confident94.1Very high50 Ų5026.9 Ų26.927%0.26714%0.141SC..THydrogen-bonded Turntrans6134.8169.2-51.6-57.9000114.7P290 R486 P508 S531P290-N506 HydrophobicContact CB-CB 4.42Å; P290-N506 WeakPolarHBondContact O-CB 3.5Å; P290-N506 PolarHBondContact O-ND2 3.2Å; R486-N506 PolarHBondContact NH1-O 3.39Å; N506-P508 WeakPolarHBondContact O-CD 3.48Å; N506-S531 PolarHBondContact N-OG 2.93Å
507L94.8Very high94.1Very high0 Ų030.1 Ų30.10%016%0.159CC..  trans-87.3106.3168.1-66173.7000109.3L482 L485 L488 V504 T505 R509 L510L482-L507 HydrophobicContact CD2-CD1 4.49Å; L482-L507 WeakPolarHBondContact O-CD2 3.35Å; L485-L507 HydrophobicContact CB-CD2 4.44Å; L485-L507 WeakPolarHBondContact O-CD2 3.24Å; L488-L507 HydrophobicContact CD2-CD1 4.31Å; V504-L507 HydrophobicContact CG1-CD1 3.85Å; T505-L507 VanDerWaalsContact C-N 3.34Å; T505-L507 PolarHBondContact O-N 3.39Å; L507-R509 VanDerWaalsContact C-N 3.33Å; L507-R509 PolarHBondContact O-N 3.06Å; L507-L510 HydrophobicContact CB-CB 3.87Å; L507-L510 HydrophobicContact CD1-CD2 4.03Å
508P94.7Very high94.1Very high10 Ų1030 Ų307%0.06516%0.156CC..THydrogen-bonded Turntrans-73.5-26.5-165.631.7-37.1000112.8R486 N506 R534R486-P508 HydrophobicContact CB-CG 4.47Å; R486-P508 VanDerWaalsContact O-CG 3.28Å; R486-P508 WeakPolarHBondContact O-CG 3.46Å; N506-P508 WeakPolarHBondContact O-CD 3.48Å; P508-R534 VanDerWaalsContact O-CD 3.3Å; P508-R534 WeakPolarHBondContact O-CD 3.48Å; P508-R534 WeakPolarHBondContact O-CG 3.5Å
509R96.9Very high94.1Very high14 Ų1436 Ų365%0.05318%0.179CC..THydrogen-bonded Turntrans-105.2-2.6-175.8-68.2-159.5180171.34.7115S251 E339 L488 E489 L507 Q511S251-R509 VanDerWaalsContact CB-NH2 3.34Å; S251-R509 PolarHBondContact OG-NH2 2.95Å; E339-R509 IonicContact OE2-CZ 2.66Å; E339-R509 IonicContact OE2-NH1 3.07Å; E339-R509 PolarHBondContact OE2-NH1 3.13Å; E339-R509 IonicContact OE2-NH2 3.75Å; L488-R509 CarbonylContact O-C 3.54Å; E489-R509 WeakPolarHBondContact CA-O 3.45Å; E489-R509 HydrophobicContact CG-CB 4.21Å; L507-R509 VanDerWaalsContact C-N 3.33Å; L507-R509 PolarHBondContact O-N 3.06Å; R509-Q511 WeakPolarHBondContact O-CG 2.82Å; R509-Q511 PolarHBondContact O-N 2.73Å
510L97.8Very high94.1Very high0 Ų031.2 Ų31.20%016%0.156CC..  trans-65.6119.5-174.2-175.870.2000110.2L488 L491 V504 L507 L513 R534 L535L488-L510 HydrophobicContact CD2-CD1 4.34Å; L488-L510 HydrophobicContact CG-CD1 4.28Å; L488-L510 WeakPolarHBondContact O-CA 3.29Å; L488-L510 PolarHBondContact O-N 2.69Å; L491-L510 HydrophobicContact CB-CD1 3.79Å; V504-L510 HydrophobicContact CG1-CD2 3.72Å; L507-L510 HydrophobicContact CB-CB 3.87Å; L507-L510 HydrophobicContact CD1-CD2 4.03Å; L510-L513 HydrophobicContact CD2-CB 4.39Å; L510-L513 HydrophobicContact CD2-CD2 4.44Å; L510-R534 CarbonylContact O-C 3.37Å; L510-L535 HydrophobicContact CD2-CD1 4.36Å; L510-L535 HydrophobicContact CG-CD1 4.28Å; L510-L535 VanDerWaalsContact O-CA 3.29Å; L510-L535 WeakPolarHBondContact O-CA 3.47Å; L510-L535 PolarHBondContact O-N 2.66Å; L510-L535 VanDerWaalsContact O-N 3.11Å
511Q98Very high94.3Very high71 Ų7135.1 Ų35.133%0.33217%0.172SC..  trans-111.4-40.3-177.4-74.4168.755.500112E489 R509 R534 V536 L537E489-Q511 PolarHBondContact O-N 3.2Å; R509-Q511 WeakPolarHBondContact O-CG 2.82Å; R509-Q511 PolarHBondContact O-N 2.73Å; Q511-R534 WeakPolarHBondContact CA-O 3.37Å; Q511-R534 HydrophobicContact CG-CB 4.34Å; Q511-V536 PolarHBondContact O-N 3.44Å; Q511-L537 PolarHBondContact O-N 3.49Å
512E98.6Very high94.3Very high81 Ų8141 Ų4138%0.37920%0.2SC..EExtended strand (participates in β ladder)trans-123.2123.8-177.9-57-172.3-165.700110.6E489 V490 L491 L537E489-E512 PolarHBondContact O-N 3.11Å; V490-E512 HydrophobicContact CB-CB 4.48Å; V490-E512 HydrophobicContact CG1-CB 4.19Å; V490-E512 HydrophobicContact CG2-CB 4.17Å; V490-E512 HydrophobicContact CG2-CG 4.34Å; L491-E512 PolarHBondContact N-O 2.93Å; E512-L537 HydrophobicContact CG-CB 4.21Å
513L98.3Very high94.4Very high0 Ų037.4 Ų37.40%018%0.181CC..EExtended strand (participates in β ladder)trans-124.7110.6175.7-178.956.9000110.1L491 V504 L510 L515 L529 L535 L537 L538 N539L491-L513 HydrophobicContact CB-CD1 3.85Å; L491-L513 HydrophobicContact CD2-CD1 3.74Å; L491-L513 HydrophobicContact CG-CD1 3.79Å; V504-L513 HydrophobicContact CG1-CD2 4.14Å; L510-L513 HydrophobicContact CD2-CB 4.39Å; L510-L513 HydrophobicContact CD2-CD2 4.44Å; L513-L515 HydrophobicContact CD1-CD1 4.12Å; L513-L515 HydrophobicContact CD1-CD2 4.31Å; L513-L515 HydrophobicContact CD1-CG 3.96Å; L513-L515 HydrophobicContact CD2-CD1 3.73Å; L513-L515 HydrophobicContact CD2-CG 4.45Å; L513-L515 HydrophobicContact CG-CD1 3.71Å; L513-L515 HydrophobicContact CG-CG 3.91Å; L513-L529 HydrophobicContact CD2-CD1 4.01Å; L513-L529 HydrophobicContact CD2-CD2 3.44Å; L513-L529 VanDerWaalsContact CD2-CD2 3.44Å; L513-L529 HydrophobicContact CD2-CG 4.39Å; L513-L535 HydrophobicContact CB-CD1 3.82Å; L513-L537 PolarHBondContact N-O 3.46Å; L513-L538 HydrophobicContact CB-CD1 4.07Å; L513-L538 HydrophobicContact CD2-CD1 3.95Å; L513-L538 HydrophobicContact CG-CD1 4Å; L513-L538 WeakPolarHBondContact O-CA 3.44Å; L513-N539 PolarHBondContact O-N 3.35Å
514L98.6Very high94.7Very high31 Ų3140.7 Ų40.716%0.16221%0.209CC..EExtended strand (participates in β ladder)trans-106.7113.9-179.2-52.2175.5000109.1L491 Q492 A493 S494 L537 N539L491-L514 PolarHBondContact O-N 3.47Å; Q492-L514 HydrophobicContact CB-CD1 4.43Å; Q492-L514 VanDerWaalsContact OE1-CB 3.3Å; Q492-L514 PolarHBondContact OE1-O 3.37Å; A493-L514 CarbonylContact C-O 3.44Å; A493-L514 WeakPolarHBondContact CA-O 3.44Å; A493-L514 PolarHBondContact N-O 2.96Å; S494-L514 PolarHBondContact N-O 3.37Å; L514-L537 HydrophobicContact CD2-CD2 3.38Å; L514-N539 HydrophobicContact CD2-CB 3.69Å
515L98Very high94.8Very high0 Ų041.7 Ų41.70%022%0.217CC..  trans-126.427.7-173.9-72166.9000111.7A493 I498 L501 L513 N518 L520 L538 N539 L540 N543A493-L515 HydrophobicContact CB-CD2 3.92Å; I498-L515 HydrophobicContact CD1-CD2 4.05Å; L501-L515 HydrophobicContact CD1-CD1 3.62Å; L501-L515 HydrophobicContact CD2-CD1 3.77Å; L501-L515 HydrophobicContact CD2-CD2 4.01Å; L501-L515 HydrophobicContact CG-CD1 4.35Å; L513-L515 HydrophobicContact CD1-CD1 4.12Å; L513-L515 HydrophobicContact CD1-CD2 4.31Å; L513-L515 HydrophobicContact CD1-CG 3.96Å; L513-L515 HydrophobicContact CD2-CD1 3.73Å; L513-L515 HydrophobicContact CD2-CG 4.45Å; L513-L515 HydrophobicContact CG-CD1 3.71Å; L513-L515 HydrophobicContact CG-CG 3.91Å; L515-N518 PolarHBondContact O-ND2 3.45Å; L515-L520 HydrophobicContact CD1-CD1 4.19Å; L515-L538 HydrophobicContact CD1-CD1 4.32Å; L515-N539 CarbonylContact C-O 3.56Å; L515-N539 WeakPolarHBondContact CA-O 3.24Å; L515-N539 WeakPolarHBondContact CB-O 3.15Å; L515-N539 PolarHBondContact N-O 2.89Å; L515-L540 HydrophobicContact CB-CD2 4.27Å; L515-L540 HydrophobicContact CD1-CD2 4.15Å; L515-N543 PolarHBondContact O-ND2 2.99Å
516C98.4Very high95Very high19 Ų1939.9 Ų39.913%0.12821%0.206CC..THydrogen-bonded Turntrans-56.6147.2-177-52.50000111.5S494 D495 N518 N539 Q541S494-C516 CarbonylContact C-O 3.22Å; S494-C516 WeakPolarHBondContact CA-O 3.49Å; S494-C516 WeakPolarHBondContact OG-CB 3.38Å; S494-C516 PolarHBondContact OG-N 3.2Å; D495-C516 PolarHBondContact N-O 3.15Å; C516-N518 PolarHBondContact O-N 2.88Å; C516-N518 PolarHBondContact O-ND2 3.24Å; C516-N539 PolarHBondContact SG-ND2 3.37Å; C516-N539 PolarHBondContact SG-OD1 3.34Å; C516-N539 VanDerWaalsContact SG-OD1 3.34Å; C516-Q541 CarbonylContact C-O 3.44Å; C516-Q541 WeakPolarHBondContact CA-O 3.46Å
517N98.3Very high95.2Very high83 Ų8342.9 Ų42.944%0.44422%0.218SC..THydrogen-bonded Turntrans52.650.5173.6-52.9-36.4000113.5D495 Q541D495-N517 WeakPolarHBondContact OD1-CB 3.38Å; D495-N517 PolarHBondContact OD1-ND2 3.48Å; N517-Q541 PolarHBondContact N-O 2.92Å
518N98.5Very high95.1Very high8 Ų843.5 Ų43.54%0.04322%0.222CC..  trans-110.6-168.9172.9-86.3-74.5000111.1A493 N496 I498 L515 C516 N543A493-N518 PolarHBondContact O-ND2 2.87Å; N496-N518 WeakPolarHBondContact CA-OD1 3.28Å; N496-N518 WeakPolarHBondContact CB-OD1 3.4Å; N496-N518 PolarHBondContact O-OD1 3Å; I498-N518 HydrophobicContact CB-CB 4.27Å; I498-N518 VanDerWaalsContact CB-OD1 3.24Å; I498-N518 WeakPolarHBondContact CB-OD1 3.39Å; I498-N518 WeakPolarHBondContact CG1-OD1 3.39Å; I498-N518 PolarHBondContact N-OD1 2.95Å; L515-N518 PolarHBondContact O-ND2 3.45Å; C516-N518 PolarHBondContact O-N 2.88Å; C516-N518 PolarHBondContact O-ND2 3.24Å; N518-N543 VanDerWaalsContact CA-OD1 3.28Å; N518-N543 WeakPolarHBondContact CA-OD1 3.41Å; N518-N543 WeakPolarHBondContact CB-OD1 3.24Å; N518-N543 PolarHBondContact N-OD1 3.22Å; N518-N543 PolarHBondContact O-OD1 3.24Å
519R97.4Very high95Very high126 Ų12643.1 Ų43.148%0.47522%0.22SC..  trans-114.427.4-175.4-64-176.1-178.3-171.9-1.4112.7I498 E499 Q521 N543I498-R519 CarbonylContact O-C 3.39Å; I498-R519 WeakPolarHBondContact O-CA 3.4Å; I498-R519 PolarHBondContact O-N 3.43Å; E499-R519 HydrophobicContact CG-CB 3.76Å; R519-Q521 WeakPolarHBondContact O-CG 3.49Å; R519-Q521 PolarHBondContact O-N 3.4Å; R519-Q521 VanDerWaalsContact O-N 3.11Å; R519-N543 PolarHBondContact N-OD1 3.45Å
520L96.2Very high94.8Very high0 Ų045.2 Ų45.20%024%0.24CC..  trans-68.7111.6178.3-60.6168.4000109.1I498 L501 L515 A525 L526 L540 N543 P544 L545I498-L520 HydrophobicContact CG2-CD2 4.31Å; I498-L520 PolarHBondContact O-N 3.09Å; L501-L520 HydrophobicContact CD1-CD1 4.28Å; L501-L520 HydrophobicContact CD2-CD2 4.34Å; L501-L520 HydrophobicContact CG-CD1 4.5Å; L501-L520 HydrophobicContact CG-CD2 4.05Å; L515-L520 HydrophobicContact CD1-CD1 4.19Å; L520-A525 HydrophobicContact CD2-CB 4.22Å; L520-L526 HydrophobicContact CD1-CD2 4.15Å; L520-L540 HydrophobicContact CD1-CD2 4.04Å; L520-N543 HydrophobicContact CB-CB 4.27Å; L520-N543 WeakPolarHBondContact CB-OD1 3.43Å; L520-N543 PolarHBondContact N-OD1 3.42Å; L520-N543 VanDerWaalsContact N-OD1 3.15Å; L520-P544 WeakPolarHBondContact O-CD 3.5Å; L520-L545 HydrophobicContact CB-CD2 3.3Å; L520-L545 HydrophobicContact CD1-CD2 4.28Å; L520-L545 HydrophobicContact CG-CD2 4.42Å; L520-L545 WeakPolarHBondContact O-CD2 3.3Å; L520-L545 PolarHBondContact O-N 3.39Å
521Q93.9Very high94.5Very high109 Ų10947.1 Ų47.151%0.50925%0.253SS..  trans-89.4-41.1-170.7-64.6-64-26.800113.5R519R519-Q521 WeakPolarHBondContact O-CG 3.49Å; R519-Q521 PolarHBondContact O-N 3.4Å; R519-Q521 VanDerWaalsContact O-N 3.11Å
522Q90.9Very high94.3Very high124 Ų12443.9 Ų43.958%0.57924%0.238SC*.SBendtrans-126.2144.3-168-64.2-62-35.500110.4A524 A525Q522-A524 PolarHBondContact O-N 3.11Å; Q522-A524 VanDerWaalsContact O-N 3.16Å; Q522-A525 VanDerWaalsContact O-CB 3.28Å; Q522-A525 WeakPolarHBondContact O-CB 3.27Å; Q522-A525 PolarHBondContact O-N 3.4Å
523P88.7Confident94Very high22 Ų2244.2 Ų44.214%0.14325%0.248CC..G310 helixtrans-58-30.5179.2-21.430.4000113.7A525 L526 I551 H554P523-A525 PolarHBondContact O-N 3.26Å; P523-A525 VanDerWaalsContact O-N 3.08Å; P523-L526 WeakPolarHBondContact O-CB 3.45Å; P523-L526 PolarHBondContact O-N 3.49Å; P523-I551 HydrophobicContact CB-CD1 4Å; P523-I551 HydrophobicContact CG-CD1 3.82Å; P523-H554 WeakPolarHBondContact CB-CD2 3.28Å; P523-H554 WeakPolarHBondContact CB-NE2 3.34Å
524A88.4Confident93.9Very high70 Ų7048 Ų4858%0.57926%0.262SS*.G310 helixtrans-56.7-24.8175.700000113.8Q522 L526 Q527Q522-A524 PolarHBondContact O-N 3.11Å; Q522-A524 VanDerWaalsContact O-N 3.16Å; A524-L526 PolarHBondContact O-N 3.45Å; A524-Q527 WeakPolarHBondContact O-CB 3.38Å; A524-Q527 PolarHBondContact O-N 3.47Å
525A89.6Confident93.8Very high20 Ų2046.6 Ų46.617%0.16526%0.255CS..G310 helixtrans-65.7-14.9175.700000113.3L520 Q522 P523 P528L520-A525 HydrophobicContact CD2-CB 4.22Å; Q522-A525 VanDerWaalsContact O-CB 3.28Å; Q522-A525 WeakPolarHBondContact O-CB 3.27Å; Q522-A525 PolarHBondContact O-N 3.4Å; P523-A525 PolarHBondContact O-N 3.26Å; P523-A525 VanDerWaalsContact O-N 3.08Å; A525-P528 WeakPolarHBondContact O-CD 3.5Å
526L91.5Very high93.7Very high0 Ų049.8 Ų49.80%027%0.274CS..G310 helixtrans-93.6-7.7-179.5-54.5176.4000112.9L501 L520 P523 A524 P528 L529 L540 L545 L555 L558L501-L526 HydrophobicContact CD1-CD2 3.58Å; L520-L526 HydrophobicContact CD1-CD2 4.15Å; P523-L526 WeakPolarHBondContact O-CB 3.45Å; P523-L526 PolarHBondContact O-N 3.49Å; A524-L526 PolarHBondContact O-N 3.45Å; L526-P528 VanDerWaalsContact C-N 3.26Å; L526-P528 VanDerWaalsContact O-N 3.15Å; L526-L529 HydrophobicContact CB-CD1 4.42Å; L526-L529 HydrophobicContact CD2-CD1 4.2Å; L526-L529 WeakPolarHBondContact O-CB 3.32Å; L526-L529 WeakPolarHBondContact O-CG 3.49Å; L526-L529 PolarHBondContact O-N 3.01Å; L526-L540 HydrophobicContact CD1-CD1 3.77Å; L526-L540 HydrophobicContact CD2-CD1 4.47Å; L526-L540 HydrophobicContact CD2-CD2 3.96Å; L526-L545 HydrophobicContact CD1-CD1 4.16Å; L526-L545 HydrophobicContact CD1-CD2 4.28Å; L526-L545 HydrophobicContact CD2-CD2 4.46Å; L526-L545 HydrophobicContact CG-CD2 4.5Å; L526-L555 HydrophobicContact CD1-CD2 3.28Å; L526-L558 HydrophobicContact CB-CD2 3.88Å
527Q91.8Very high93.7Very high112 Ų11250.9 Ų50.952%0.52328%0.278SS..G310 helixtrans-49.2-39.1178.3-173.169.44700114.1A524 L529 A530A524-Q527 WeakPolarHBondContact O-CB 3.38Å; A524-Q527 PolarHBondContact O-N 3.47Å; Q527-L529 PolarHBondContact O-N 2.92Å; Q527-L529 VanDerWaalsContact O-N 3.16Å; Q527-A530 WeakPolarHBondContact O-CB 3.45Å; Q527-A530 PolarHBondContact O-N 3.23Å
528P92.6Very high93.6Very high13 Ų1347 Ų478%0.08426%0.257CS..G310 helixtrans-51.9-33.1174.5-34.542.1000115.3L501 T505 A525 L526 A530 S531L501-P528 HydrophobicContact CB-CB 4.48Å; L501-P528 HydrophobicContact CB-CG 4.49Å; L501-P528 VanDerWaalsContact O-CB 3.27Å; L501-P528 WeakPolarHBondContact O-CB 3.5Å; T505-P528 HydrophobicContact CG2-CB 3.6Å; T505-P528 HydrophobicContact CG2-CG 4.38Å; A525-P528 WeakPolarHBondContact O-CD 3.5Å; L526-P528 VanDerWaalsContact C-N 3.26Å; L526-P528 VanDerWaalsContact O-N 3.15Å; P528-A530 PolarHBondContact O-N 2.72Å; P528-S531 PolarHBondContact O-N 3.18Å; P528-S531 PolarHBondContact O-OG 3.13Å
529L93.3Very high93.6Very high2 Ų247.5 Ų47.51%0.0126%0.26CS..G310 helixtrans-69.9-19.7-174.1-57.5-178000113.2L501 V504 L513 L526 Q527 S531 C532 L535 L538 L559L501-L529 HydrophobicContact CD1-CD1 3.9Å; L501-L529 HydrophobicContact CD1-CD2 4.14Å; L501-L529 HydrophobicContact CD1-CG 4.09Å; V504-L529 HydrophobicContact CB-CD2 4.05Å; V504-L529 HydrophobicContact CG1-CD2 3.65Å; L513-L529 HydrophobicContact CD2-CD1 4.01Å; L513-L529 HydrophobicContact CD2-CD2 3.44Å; L513-L529 VanDerWaalsContact CD2-CD2 3.44Å; L513-L529 HydrophobicContact CD2-CG 4.39Å; L526-L529 HydrophobicContact CB-CD1 4.42Å; L526-L529 HydrophobicContact CD2-CD1 4.2Å; L526-L529 WeakPolarHBondContact O-CB 3.32Å; L526-L529 WeakPolarHBondContact O-CG 3.49Å; L526-L529 PolarHBondContact O-N 3.01Å; Q527-L529 PolarHBondContact O-N 2.92Å; Q527-L529 VanDerWaalsContact O-N 3.16Å; L529-S531 PolarHBondContact O-N 3.42Å; L529-S531 VanDerWaalsContact O-N 3.09Å; L529-C532 WeakPolarHBondContact O-CB 3.4Å; L529-C532 PolarHBondContact O-N 3.13Å; L529-L535 HydrophobicContact CB-CD2 4.25Å; L529-L535 HydrophobicContact CD1-CD2 4.42Å; L529-L538 HydrophobicContact CD1-CD1 3.96Å; L529-L538 HydrophobicContact CD1-CD2 3.82Å; L529-L559 HydrophobicContact CB-CD1 4.14Å; L529-L559 HydrophobicContact CB-CD2 3.73Å; L529-L559 HydrophobicContact CD1-CD1 4.17Å
530A91.7Very high93.6Very high59 Ų5941.5 Ų41.549%0.48824%0.238SC..G310 helixtrans-62.3-17.1174.900000112.9Q527 P528 L559Q527-A530 WeakPolarHBondContact O-CB 3.45Å; Q527-A530 PolarHBondContact O-N 3.23Å; P528-A530 PolarHBondContact O-N 2.72Å; A530-L559 HydrophobicContact CB-CD2 4.25Å
531S91.6Very high93.7Very high39 Ų3946 Ų4627%0.27326%0.258SS..G310 helixtrans-88.2-0.1175.368.60000114.4T505 N506 P528 L529 P533T505-S531 VanDerWaalsContact CA-OG 3.25Å; T505-S531 WeakPolarHBondContact CA-OG 3.48Å; N506-S531 PolarHBondContact N-OG 2.93Å; P528-S531 PolarHBondContact O-N 3.18Å; P528-S531 PolarHBondContact O-OG 3.13Å; L529-S531 PolarHBondContact O-N 3.42Å; L529-S531 VanDerWaalsContact O-N 3.09Å; S531-P533 VanDerWaalsContact O-CD 3.27Å; S531-P533 WeakPolarHBondContact O-CD 3.48Å
532C93.7Very high93.8Very high3 Ų343.1 Ų43.12%0.0226%0.259CS..  trans-9599.5178.5-63.70000109.9V504 L529 R534 L535V504-C532 PolarHBondContact O-SG 3.09Å; L529-C532 WeakPolarHBondContact O-CB 3.4Å; L529-C532 PolarHBondContact O-N 3.13Å; C532-R534 PolarHBondContact O-N 3.26Å; C532-L535 HydrophobicContact CB-CB 4.05Å; C532-L535 PolarHBondContact O-N 3.33Å
533P92.4Very high94.1Very high88 Ų8837.4 Ų37.457%0.57123%0.232SC*.THydrogen-bonded Turntrans-70.4-18.4-167.928.7-36000114S531S531-P533 VanDerWaalsContact O-CD 3.27Å; S531-P533 WeakPolarHBondContact O-CD 3.48Å
534R95.6Very high94.4Very high79 Ų7938.3 Ų38.330%0.29824%0.238SC..THydrogen-bonded Turntrans-114.29.5-174-62.9-170.2-173.6-148.9-10.5114D253 E254 P508 L510 Q511 C532 V536D253-R534 IonicContact OD1-NH2 3.15Å; D253-R534 PolarHBondContact OD1-NH2 2.9Å; D253-R534 IonicContact OD2-CZ 2.73Å; D253-R534 IonicContact OD2-NH1 2.95Å; D253-R534 PolarHBondContact OD2-NH1 3.41Å; D253-R534 IonicContact OD2-NH2 2.68Å; D253-R534 PolarHBondContact OD2-NH2 3.12Å; E254-R534 IonicContact OE1-CZ 3.69Å; E254-R534 IonicContact OE1-NE 2.85Å; E254-R534 PolarHBondContact OE1-NE 2.51Å; E254-R534 IonicContact OE1-NH1 2.66Å; E254-R534 IonicContact OE1-NH2 2.8Å; E254-R534 PolarHBondContact OE1-NH2 3.04Å; P508-R534 VanDerWaalsContact O-CD 3.3Å; P508-R534 WeakPolarHBondContact O-CD 3.48Å; P508-R534 WeakPolarHBondContact O-CG 3.5Å; L510-R534 CarbonylContact O-C 3.37Å; Q511-R534 WeakPolarHBondContact CA-O 3.37Å; Q511-R534 HydrophobicContact CG-CB 4.34Å; C532-R534 PolarHBondContact O-N 3.26Å; R534-V536 VanDerWaalsContact O-CG2 3.32Å; R534-V536 WeakPolarHBondContact O-CG2 3.43Å; R534-V536 PolarHBondContact O-N 3.12Å
535L96.9Very high94.7Very high2 Ų235 Ų351%0.0121%0.211CC..  trans-67.1118.7-177.6-174.166.3000109.9L510 L513 L529 C532 V562L510-L535 HydrophobicContact CD2-CD1 4.36Å; L510-L535 HydrophobicContact CG-CD1 4.28Å; L510-L535 VanDerWaalsContact O-CA 3.29Å; L510-L535 WeakPolarHBondContact O-CA 3.47Å; L510-L535 PolarHBondContact O-N 2.66Å; L510-L535 VanDerWaalsContact O-N 3.11Å; L513-L535 HydrophobicContact CB-CD1 3.82Å; L529-L535 HydrophobicContact CB-CD2 4.25Å; L529-L535 HydrophobicContact CD1-CD2 4.42Å; C532-L535 HydrophobicContact CB-CB 4.05Å; C532-L535 PolarHBondContact O-N 3.33Å; L535-V562 HydrophobicContact CB-CG2 4.09Å; L535-V562 HydrophobicContact CD2-CG2 3.84Å; L535-V562 HydrophobicContact CG-CG1 4.5Å; L535-V562 HydrophobicContact CG-CG2 3.91Å
536V96.9Very high94.9Very high68 Ų6835.3 Ų35.341%0.41221%0.211SC..  trans-109.5-39.4-175.9179.50000111.2Q511 R534 S563 S564Q511-V536 PolarHBondContact O-N 3.44Å; R534-V536 VanDerWaalsContact O-CG2 3.32Å; R534-V536 WeakPolarHBondContact O-CG2 3.43Å; R534-V536 PolarHBondContact O-N 3.12Å; V536-S563 WeakPolarHBondContact CG1-OG 3.46Å; V536-S563 PolarHBondContact O-N 2.73Å; V536-S563 VanDerWaalsContact O-N 3.16Å; V536-S563 PolarHBondContact O-OG 3.04Å; V536-S564 PolarHBondContact O-N 3.19Å
537L97.6Very high95Very high42 Ų4243.5 Ų43.522%0.2225%0.249CC..EExtended strand (participates in β ladder)trans-124.8125.4-176.8-174.9152.1000110.6Q511 E512 L513 L514 N539 S564Q511-L537 PolarHBondContact O-N 3.49Å; E512-L537 HydrophobicContact CG-CB 4.21Å; L513-L537 PolarHBondContact N-O 3.46Å; L514-L537 HydrophobicContact CD2-CD2 3.38Å; L537-N539 HydrophobicContact CD2-CB 4.45Å; L537-S564 WeakPolarHBondContact CA-O 3.44Å
538L97.5Very high94.9Very high0 Ų040 Ų400%024%0.239CC..EExtended strand (participates in β ladder)trans-126.8117.5174.5177.659.3000109.7L513 L515 L529 L540 L559 V562 S564 I565 L566L513-L538 HydrophobicContact CB-CD1 4.07Å; L513-L538 HydrophobicContact CD2-CD1 3.95Å; L513-L538 HydrophobicContact CG-CD1 4Å; L513-L538 WeakPolarHBondContact O-CA 3.44Å; L515-L538 HydrophobicContact CD1-CD1 4.32Å; L529-L538 HydrophobicContact CD1-CD1 3.96Å; L529-L538 HydrophobicContact CD1-CD2 3.82Å; L538-L540 HydrophobicContact CD1-CD2 4.02Å; L538-L540 HydrophobicContact CD1-CG 4.18Å; L538-L540 HydrophobicContact CD2-CD1 3.91Å; L538-L540 HydrophobicContact CD2-CG 4.25Å; L538-L540 HydrophobicContact CG-CD1 4.1Å; L538-L540 HydrophobicContact CG-CD2 4.29Å; L538-L540 HydrophobicContact CG-CG 3.92Å; L538-L559 HydrophobicContact CD2-CD1 3.61Å; L538-V562 HydrophobicContact CB-CG1 4.04Å; L538-S564 PolarHBondContact N-O 3.48Å; L538-I565 HydrophobicContact CB-CG1 4.5Å; L538-I565 CarbonylContact O-C 3.28Å; L538-I565 WeakPolarHBondContact O-CA 3.48Å; L538-L566 PolarHBondContact O-N 3.19Å
539N97.8Very high94.6Very high19 Ų1948.6 Ų48.610%0.10228%0.281CS..EExtended strand (participates in β ladder)trans-109.8115.9174.9-166.4-15.7000111.2L513 L514 L515 C516 L537 Q541 L566L513-N539 PolarHBondContact O-N 3.35Å; L514-N539 HydrophobicContact CD2-CB 3.69Å; L515-N539 CarbonylContact C-O 3.56Å; L515-N539 WeakPolarHBondContact CA-O 3.24Å; L515-N539 WeakPolarHBondContact CB-O 3.15Å; L515-N539 PolarHBondContact N-O 2.89Å; C516-N539 PolarHBondContact SG-ND2 3.37Å; C516-N539 PolarHBondContact SG-OD1 3.34Å; C516-N539 VanDerWaalsContact SG-OD1 3.34Å; L537-N539 HydrophobicContact CD2-CB 4.45Å; N539-Q541 WeakPolarHBondContact OD1-CB 3.17Å; N539-Q541 VanDerWaalsContact OD1-CG 3.29Å; N539-Q541 WeakPolarHBondContact OD1-CG 3.33Å; N539-Q541 PolarHBondContact OD1-N 3.45Å; N539-L566 HydrophobicContact CB-CB 4.28Å; N539-L566 HydrophobicContact CB-CD1 4.28Å
540L97.2Very high94.2Very high0 Ų050.5 Ų50.50%030%0.301CS..  trans-1145.1-178-63169.1000112.5L515 L520 L526 L538 G542 N543 L545 C546 L555 L566L515-L540 HydrophobicContact CB-CD2 4.27Å; L515-L540 HydrophobicContact CD1-CD2 4.15Å; L520-L540 HydrophobicContact CD1-CD2 4.04Å; L526-L540 HydrophobicContact CD1-CD1 3.77Å; L526-L540 HydrophobicContact CD2-CD1 4.47Å; L526-L540 HydrophobicContact CD2-CD2 3.96Å; L538-L540 HydrophobicContact CD1-CD2 4.02Å; L538-L540 HydrophobicContact CD1-CG 4.18Å; L538-L540 HydrophobicContact CD2-CD1 3.91Å; L538-L540 HydrophobicContact CD2-CG 4.25Å; L538-L540 HydrophobicContact CG-CD1 4.1Å; L538-L540 HydrophobicContact CG-CD2 4.29Å; L538-L540 HydrophobicContact CG-CG 3.92Å; L540-G542 PolarHBondContact O-N 3.34Å; L540-N543 WeakPolarHBondContact O-CB 3.31Å; L540-N543 PolarHBondContact O-N 3.45Å; L540-N543 VanDerWaalsContact O-N 3.09Å; L540-N543 PolarHBondContact O-ND2 3.47Å; L540-L545 HydrophobicContact CD1-CD1 4.18Å; L540-C546 PolarHBondContact O-SG 3.08Å; L540-L555 HydrophobicContact CD1-CD1 4.05Å; L540-L555 HydrophobicContact CD1-CD2 4.4Å; L540-L566 PolarHBondContact N-O 3.22Å
541Q97.3Very high94.1Very high94 Ų9448.3 Ų48.344%0.43928%0.281SS..THydrogen-bonded Turntrans-51.7134.9-174.5-72-175.9-49.400112.7C516 N517 N539 N543 L566 T567C516-Q541 CarbonylContact C-O 3.44Å; C516-Q541 WeakPolarHBondContact CA-O 3.46Å; N517-Q541 PolarHBondContact N-O 2.92Å; N539-Q541 WeakPolarHBondContact OD1-CB 3.17Å; N539-Q541 VanDerWaalsContact OD1-CG 3.29Å; N539-Q541 WeakPolarHBondContact OD1-CG 3.33Å; N539-Q541 PolarHBondContact OD1-N 3.45Å; Q541-N543 VanDerWaalsContact C-N 3.33Å; Q541-N543 PolarHBondContact O-N 2.99Å; Q541-L566 HydrophobicContact CG-CB 4.19Å; Q541-T567 WeakPolarHBondContact CA-OXT 3.27Å
542G96.6Very high94Very high50 Ų5051.5 Ų51.552%0.51530%0.295SS..THydrogen-bonded Turntrans79.29.5-179.500000115.1L540L540-G542 PolarHBondContact O-N 3.34Å
543N97.7Very high93.7Very high3 Ų358.3 Ų58.32%0.01633%0.326CS..  trans-87.6145.9167.3-75.6-88.5000111.8L515 N518 R519 L520 L540 Q541 L545 C546L515-N543 PolarHBondContact O-ND2 2.99Å; N518-N543 VanDerWaalsContact CA-OD1 3.28Å; N518-N543 WeakPolarHBondContact CA-OD1 3.41Å; N518-N543 WeakPolarHBondContact CB-OD1 3.24Å; N518-N543 PolarHBondContact N-OD1 3.22Å; N518-N543 PolarHBondContact O-OD1 3.24Å; R519-N543 PolarHBondContact N-OD1 3.45Å; L520-N543 HydrophobicContact CB-CB 4.27Å; L520-N543 WeakPolarHBondContact CB-OD1 3.43Å; L520-N543 PolarHBondContact N-OD1 3.42Å; L520-N543 VanDerWaalsContact N-OD1 3.15Å; L540-N543 WeakPolarHBondContact O-CB 3.31Å; L540-N543 PolarHBondContact O-N 3.45Å; L540-N543 VanDerWaalsContact O-N 3.09Å; L540-N543 PolarHBondContact O-ND2 3.47Å; Q541-N543 VanDerWaalsContact C-N 3.33Å; Q541-N543 PolarHBondContact O-N 2.99Å; N543-L545 VanDerWaalsContact C-N 3.26Å; N543-L545 HydrophobicContact CB-CD2 4.2Å; N543-L545 HydrophobicContact CB-CG 4.15Å; N543-L545 PolarHBondContact O-N 2.86Å; N543-C546 WeakPolarHBondContact O-CB 3.22Å; N543-C546 PolarHBondContact O-N 3.18Å; N543-C546 VanDerWaalsContact O-N 3.08Å
544P96Very high93.5Very high42 Ų4257.7 Ų57.727%0.27332%0.315SS..G310 helixtrans-55.3-35.6176.9-2835000114.6L520 C546 Q547L520-P544 WeakPolarHBondContact O-CD 3.5Å; P544-C546 PolarHBondContact O-N 3.18Å; P544-Q547 WeakPolarHBondContact O-CB 3.5Å; P544-Q547 PolarHBondContact O-N 3.48Å; P544-Q547 VanDerWaalsContact O-N 3.08Å
545L94.6Very high93.2Very high0 Ų054 Ų540%030%0.301CS..G310 helixtrans-60.1-25.4178.172.296.2000113.8L520 L526 L540 N543 Q547 A548 I551L520-L545 HydrophobicContact CB-CD2 3.3Å; L520-L545 HydrophobicContact CD1-CD2 4.28Å; L520-L545 HydrophobicContact CG-CD2 4.42Å; L520-L545 WeakPolarHBondContact O-CD2 3.3Å; L520-L545 PolarHBondContact O-N 3.39Å; L526-L545 HydrophobicContact CD1-CD1 4.16Å; L526-L545 HydrophobicContact CD1-CD2 4.28Å; L526-L545 HydrophobicContact CD2-CD2 4.46Å; L526-L545 HydrophobicContact CG-CD2 4.5Å; L540-L545 HydrophobicContact CD1-CD1 4.18Å; N543-L545 VanDerWaalsContact C-N 3.26Å; N543-L545 HydrophobicContact CB-CD2 4.2Å; N543-L545 HydrophobicContact CB-CG 4.15Å; N543-L545 PolarHBondContact O-N 2.86Å; L545-Q547 PolarHBondContact O-N 3.06Å; L545-A548 WeakPolarHBondContact O-CB 3.37Å; L545-A548 PolarHBondContact O-N 3.2Å; L545-I551 HydrophobicContact CD1-CD1 3.58Å; L545-I551 HydrophobicContact CD1-CG1 3.9Å
546C93.4Very high92.8Very high26 Ų2656.6 Ų56.618%0.17632%0.324CS..G310 helixtrans-67.8-16.4178.9-62.40000112.4L540 N543 P544 A548 T567L540-C546 PolarHBondContact O-SG 3.08Å; N543-C546 WeakPolarHBondContact O-CB 3.22Å; N543-C546 PolarHBondContact O-N 3.18Å; N543-C546 VanDerWaalsContact O-N 3.08Å; P544-C546 PolarHBondContact O-N 3.18Å; C546-A548 VanDerWaalsContact C-N 3.34Å; C546-T567 VanDerWaalsContact CB-OXT 3.22Å; C546-T567 WeakPolarHBondContact CB-OXT 3.38Å; C546-T567 PolarHBondContact SG-OXT 3.43Å
547Q92.3Very high92.6Very high172 Ų17260.8 Ų60.880%0.80434%0.339SS*.G310 helixtrans-86.7-6.8174.1-57.41804.500112.6P544 L545P544-Q547 WeakPolarHBondContact O-CB 3.5Å; P544-Q547 PolarHBondContact O-N 3.48Å; P544-Q547 VanDerWaalsContact O-N 3.08Å; L545-Q547 PolarHBondContact O-N 3.06Å
548A89.6Confident92.2Very high38 Ų3859.8 Ų59.831%0.31433%0.334SS..SBendtrans-69.8135.2179.200000111.1L545 C546 G550 I551L545-A548 WeakPolarHBondContact O-CB 3.37Å; L545-A548 PolarHBondContact O-N 3.2Å; C546-A548 VanDerWaalsContact C-N 3.34Å; A548-G550 PolarHBondContact O-N 3.28Å; A548-I551 WeakPolarHBondContact O-CG2 3.47Å; A548-I551 PolarHBondContact O-N 2.59Å
549M86.9Confident92Very high194 Ų19460 Ų6096%0.95634%0.335SS*.THydrogen-bonded Turntrans-60.1131.2174.1-73.3-92.8-73.300110.3I551M549-I551 VanDerWaalsContact C-N 3.33Å; M549-I551 PolarHBondContact O-N 2.91Å
550G85.4Confident91.6Very high43 Ų4364.2 Ų64.244%0.44336%0.363SS..THydrogen-bonded Turntrans75.31417700000115.3A548 L552 E553 H554A548-G550 PolarHBondContact O-N 3.28Å; G550-L552 VanDerWaalsContact C-N 3.3Å; G550-L552 PolarHBondContact O-N 3.14Å; G550-E553 PolarHBondContact O-N 3.06Å; G550-H554 PolarHBondContact O-N 3.44Å; G550-H554 VanDerWaalsContact O-N 3.13Å
551I90Very high91.2Very high12 Ų1268.1 Ų68.16%0.06239%0.391CS..Hα-helixtrans-55.9-41.8-178.7-177.662.4000113P523 L545 A548 M549 E553 H554 L555P523-I551 HydrophobicContact CB-CD1 4Å; P523-I551 HydrophobicContact CG-CD1 3.82Å; L545-I551 HydrophobicContact CD1-CD1 3.58Å; L545-I551 HydrophobicContact CD1-CG1 3.9Å; A548-I551 WeakPolarHBondContact O-CG2 3.47Å; A548-I551 PolarHBondContact O-N 2.59Å; M549-I551 VanDerWaalsContact C-N 3.33Å; M549-I551 PolarHBondContact O-N 2.91Å; I551-E553 VanDerWaalsContact C-N 3.33Å; I551-E553 PolarHBondContact O-N 3.39Å; I551-H554 PolarHBondContact O-N 2.94Å; I551-L555 HydrophobicContact CD1-CD1 4.07Å; I551-L555 HydrophobicContact CD1-CD2 4.22Å; I551-L555 HydrophobicContact CD1-CG 3.87Å; I551-L555 HydrophobicContact CG1-CD1 3.75Å; I551-L555 HydrophobicContact CG1-CG 4.01Å; I551-L555 WeakPolarHBondContact O-CB 3.35Å; I551-L555 VanDerWaalsContact O-CG 3.23Å; I551-L555 WeakPolarHBondContact O-CG 3.48Å; I551-L555 PolarHBondContact O-N 2.7Å
552L87.8Confident91Very high106 Ų10664.4 Ų64.456%0.55537%0.374SS*.Hα-helixtrans-62.8-39.2-178.6-66.5175.6000112.5G550 L555 A556 T567G550-L552 VanDerWaalsContact C-N 3.3Å; G550-L552 PolarHBondContact O-N 3.14Å; L552-L555 PolarHBondContact O-N 3.39Å; L552-A556 WeakPolarHBondContact O-CB 3.26Å; L552-A556 PolarHBondContact O-N 3.37Å; L552-T567 HydrophobicContact CD2-CG2 3.97Å
553E88.6Confident90.8Very high147 Ų14766.6 Ų66.669%0.68738%0.381SS*.Hα-helixtrans-65.9-46.2176.2-65.3174.8-179.700110.2G550 I551 L555 A556 E557G550-E553 PolarHBondContact O-N 3.06Å; I551-E553 VanDerWaalsContact C-N 3.33Å; I551-E553 PolarHBondContact O-N 3.39Å; E553-L555 VanDerWaalsContact C-N 3.33Å; E553-L555 PolarHBondContact O-N 3.35Å; E553-A556 PolarHBondContact O-N 3.49Å; E553-E557 WeakPolarHBondContact O-CG 3.34Å; E553-E557 PolarHBondContact O-N 2.97Å
554H88.8Confident90.6Very high74 Ų7468.5 Ų68.534%0.34340%0.395SS..Hα-helixtrans-62-39.5177.3-170.379.2000112.7P523 G550 I551 E557 L558P523-H554 WeakPolarHBondContact CB-CD2 3.28Å; P523-H554 WeakPolarHBondContact CB-NE2 3.34Å; G550-H554 PolarHBondContact O-N 3.44Å; G550-H554 VanDerWaalsContact O-N 3.13Å; I551-H554 PolarHBondContact O-N 2.94Å; H554-E557 PolarHBondContact O-N 2.72Å; H554-L558 WeakPolarHBondContact O-CB 3.47Å; H554-L558 PolarHBondContact O-N 3.09Å
555L89.6Confident90.5Very high1 Ų168.7 Ų68.71%0.00539%0.393CS..Hα-helixtrans-67.9-38.6176.6-69.8178.4000112L526 L540 I551 L552 E553 E557 L558 L559 I565 T567L526-L555 HydrophobicContact CD1-CD2 3.28Å; L540-L555 HydrophobicContact CD1-CD1 4.05Å; L540-L555 HydrophobicContact CD1-CD2 4.4Å; I551-L555 HydrophobicContact CD1-CD1 4.07Å; I551-L555 HydrophobicContact CD1-CD2 4.22Å; I551-L555 HydrophobicContact CD1-CG 3.87Å; I551-L555 HydrophobicContact CG1-CD1 3.75Å; I551-L555 HydrophobicContact CG1-CG 4.01Å; I551-L555 WeakPolarHBondContact O-CB 3.35Å; I551-L555 VanDerWaalsContact O-CG 3.23Å; I551-L555 WeakPolarHBondContact O-CG 3.48Å; I551-L555 PolarHBondContact O-N 2.7Å; L552-L555 PolarHBondContact O-N 3.39Å; E553-L555 VanDerWaalsContact C-N 3.33Å; E553-L555 PolarHBondContact O-N 3.35Å; L555-E557 VanDerWaalsContact C-N 3.33Å; L555-L558 PolarHBondContact O-N 3.1Å; L555-L559 WeakPolarHBondContact O-CA 3.35Å; L555-L559 WeakPolarHBondContact O-CB 3.22Å; L555-L559 PolarHBondContact O-N 2.93Å; L555-I565 HydrophobicContact CB-CD1 4.01Å; L555-I565 HydrophobicContact CD1-CG2 3.72Å; L555-T567 HydrophobicContact CD1-CG2 3.72Å
556A87.9Confident90.5Very high58 Ų5872 Ų7248%0.47941%0.411SS..Hα-helixtrans-65.6-36.8175.400000112.1L552 E553 P560L552-A556 WeakPolarHBondContact O-CB 3.26Å; L552-A556 PolarHBondContact O-N 3.37Å; E553-A556 PolarHBondContact O-N 3.49Å; A556-P560 WeakPolarHBondContact O-CA 3.33Å
557E91.3Very high90.3Very high155 Ų15573.6 Ų73.672%0.72442%0.42SS*.Hα-helixtrans-69.5-43.4173.7-73.2-178.1173.200112.4E553 H554 L555E553-E557 WeakPolarHBondContact O-CG 3.34Å; E553-E557 PolarHBondContact O-N 2.97Å; H554-E557 PolarHBondContact O-N 2.72Å; L555-E557 VanDerWaalsContact C-N 3.33Å
558L90.4Very high90.2Very high22 Ų2268.7 Ų68.712%0.11540%0.401CS..Hα-helixtrans-75.4-39.3-175.6-178.661.9000112.8L526 H554 L555 P560L526-L558 HydrophobicContact CB-CD2 3.88Å; H554-L558 WeakPolarHBondContact O-CB 3.47Å; H554-L558 PolarHBondContact O-N 3.09Å; L555-L558 PolarHBondContact O-N 3.1Å; L558-P560 WeakPolarHBondContact O-CD 3.42Å
559L92.3Very high90.2Very high4 Ų470.3 Ų70.32%0.02141%0.405CS..  trans-127.458.4-171.9-57.9177.4000111.3L529 A530 L538 L555 S561 V562L529-L559 HydrophobicContact CB-CD1 4.14Å; L529-L559 HydrophobicContact CB-CD2 3.73Å; L529-L559 HydrophobicContact CD1-CD1 4.17Å; A530-L559 HydrophobicContact CB-CD2 4.25Å; L538-L559 HydrophobicContact CD2-CD1 3.61Å; L555-L559 WeakPolarHBondContact O-CA 3.35Å; L555-L559 WeakPolarHBondContact O-CB 3.22Å; L555-L559 PolarHBondContact O-N 2.93Å; L559-S561 PolarHBondContact O-N 2.93Å; L559-S561 VanDerWaalsContact O-N 3.1Å; L559-V562 HydrophobicContact CB-CB 4.26Å; L559-V562 HydrophobicContact CB-CG2 3.76Å; L559-V562 HydrophobicContact CD1-CG2 4.44Å; L559-V562 PolarHBondContact O-N 3.36Å; L559-V562 VanDerWaalsContact O-N 3.09Å
560P89.8Confident90.4Very high107 Ų10763.4 Ų63.470%0.69538%0.375SS*.THydrogen-bonded Turntrans-65.3-19.3-173.127.7-36.6000113.7A556 L558A556-P560 WeakPolarHBondContact O-CA 3.33Å; L558-P560 WeakPolarHBondContact O-CD 3.42Å
561S88.5Confident90.7Very high83 Ų8364.6 Ų64.658%0.5837%0.371SS*.THydrogen-bonded Turntrans-84.5-12.8178.655.70000114L559 S563L559-S561 PolarHBondContact O-N 2.93Å; L559-S561 VanDerWaalsContact O-N 3.1Å; S561-S563 PolarHBondContact O-N 2.98Å
562V93.5Very high90.7Very high15 Ų1567.9 Ų67.99%0.09139%0.39CS..  trans-84.3112.9-175.8-177.60000109.6L535 L538 L559 I565L535-V562 HydrophobicContact CB-CG2 4.09Å; L535-V562 HydrophobicContact CD2-CG2 3.84Å; L535-V562 HydrophobicContact CG-CG1 4.5Å; L535-V562 HydrophobicContact CG-CG2 3.91Å; L538-V562 HydrophobicContact CB-CG1 4.04Å; L559-V562 HydrophobicContact CB-CB 4.26Å; L559-V562 HydrophobicContact CB-CG2 3.76Å; L559-V562 HydrophobicContact CD1-CG2 4.44Å; L559-V562 PolarHBondContact O-N 3.36Å; L559-V562 VanDerWaalsContact O-N 3.09Å; V562-I565 HydrophobicContact CB-CD1 4.24Å; V562-I565 HydrophobicContact CB-CG1 4.2Å; V562-I565 HydrophobicContact CG1-CD1 4.23Å; V562-I565 HydrophobicContact CG1-CG1 3.68Å
563S91.5Very high90.9Very high96 Ų9665.4 Ų65.467%0.67138%0.379SS*.SBendtrans-74.1-29.4-172.269.50000114.8V536 S561V536-S563 WeakPolarHBondContact CG1-OG 3.46Å; V536-S563 PolarHBondContact O-N 2.73Å; V536-S563 VanDerWaalsContact O-N 3.16Å; V536-S563 PolarHBondContact O-OG 3.04Å; S561-S563 PolarHBondContact O-N 2.98Å
564S94.4Very high91.1Very high44 Ų4459.6 Ų59.631%0.30836%0.357SS..EExtended strand (participates in β ladder)trans-133.5112.4-175.2-1760000109.8V536 L537 L538V536-S564 PolarHBondContact O-N 3.19Å; L537-S564 WeakPolarHBondContact CA-O 3.44Å; L538-S564 PolarHBondContact N-O 3.48Å
565I94.5Very high91.3Very high45 Ų4558.5 Ų58.523%0.23136%0.358CS..EExtended strand (participates in β ladder)trans-120.7120.6176.7-56.6-177.4000108.1L538 L555 V562 T567L538-I565 HydrophobicContact CB-CG1 4.5Å; L538-I565 CarbonylContact O-C 3.28Å; L538-I565 WeakPolarHBondContact O-CA 3.48Å; L555-I565 HydrophobicContact CB-CD1 4.01Å; L555-I565 HydrophobicContact CD1-CG2 3.72Å; V562-I565 HydrophobicContact CB-CD1 4.24Å; V562-I565 HydrophobicContact CB-CG1 4.2Å; V562-I565 HydrophobicContact CG1-CD1 4.23Å; V562-I565 HydrophobicContact CG1-CG1 3.68Å; I565-T567 HydrophobicContact CG2-CG2 4.07Å
566L94.3Very high91.4Very high69 Ų6963.3 Ų63.336%0.36139%0.388SS..EExtended strand (participates in β ladder)trans-106.7118177.3-54176.2000108.4L538 N539 L540 Q541L538-L566 PolarHBondContact O-N 3.19Å; N539-L566 HydrophobicContact CB-CB 4.28Å; N539-L566 HydrophobicContact CB-CD1 4.28Å; L540-L566 PolarHBondContact N-O 3.22Å; Q541-L566 HydrophobicContact CG-CB 4.19Å
567T88.3Confident91.7Very high61 Ų6163.7 Ų63.737%0.37438%0.379SS..  trans-115.10-179.255.50000112.6Q541 C546 L552 L555 I565Q541-T567 WeakPolarHBondContact CA-OXT 3.27Å; C546-T567 VanDerWaalsContact CB-OXT 3.22Å; C546-T567 WeakPolarHBondContact CB-OXT 3.38Å; C546-T567 PolarHBondContact SG-OXT 3.43Å; L552-T567 HydrophobicContact CD2-CG2 3.97Å; L555-T567 HydrophobicContact CD1-CG2 3.72Å; I565-T567 HydrophobicContact CG2-CG2 4.07Å

Retrieved 567 of 567 residues in 144 ms (Link to these results)

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