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Ankyrin repeat and SOCS box protein 12

Probable substrate-recognition component of a SCF-like ECS (Elongin-Cullin-SOCS-box protein) E3 ubiquitin-protein ligase complex which mediates the ubiquitination and subsequent proteasomal degradation of target proteins.

AlphaFold DB , UniProt , Accession G1QHQ2, Species NOMLE (Nomascus leucogenys, Northern white-cheeked gibbon), Gene ASB12, Length 318 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.3Very low44Very low242 Ų242163.9 Ų163.9100%1.19282%0.823SS**  0107.40-152.4168.4171.900106.6
2R32Very low44.5Very low243 Ų243161.5 Ų161.592%0.91781%0.813SS**  trans-70.4127.7-174.1-82.1177.1170.7169.2-3.7109.7V4R2-V4 PolarHBondContact O-N 3.35Å
3I36.2Very low45.7Very low162 Ų162160.6 Ų160.683%0.83181%0.807SS**  trans-76113.4168.7-62.8171.7000106.9
4V36.3Very low46.6Very low123 Ų123155.1 Ų155.175%0.74578%0.781SS**  trans-82.91101731770000107.1R2 Q6R2-V4 PolarHBondContact O-N 3.35Å; V4-Q6 PolarHBondContact O-N 3.32Å
5L39.8Very low47.4Very low156 Ų156148.8 Ų148.882%0.81775%0.75SS**  trans-72.7106.6166-85.3158000108.1L7L5-L7 PolarHBondContact O-N 3.37Å
6Q39.4Very low48Very low185 Ų185144.8 Ų144.886%0.86474%0.736SS**  trans-72.4104.5173.2-135.1164-13.300107.7V4 A8V4-Q6 PolarHBondContact O-N 3.32Å; Q6-A8 PolarHBondContact O-N 3.08Å; Q6-A8 VanDerWaalsContact O-N 3.09Å
7L41.6Very low48.8Very low163 Ų163144.8 Ų144.885%0.85373%0.729SS**  trans-64.1109.7170.6-115.490.2000108L5 K9L5-L7 PolarHBondContact O-N 3.37Å; L7-K9 PolarHBondContact O-N 3.32Å; L7-K9 VanDerWaalsContact O-N 3.16Å
8A51.7Low49.3Very low88 Ų88141.2 Ų141.273%0.72771%0.712SS**  trans-60.1116.8168.400000108.3Q6 M10Q6-A8 PolarHBondContact O-N 3.08Å; Q6-A8 VanDerWaalsContact O-N 3.09Å; A8-M10 PolarHBondContact O-N 3.15Å
9K52.5Low49.7Very low209 Ų209140.6 Ų140.691%0.90970%0.704SS**  trans-68.495.6172.8-77.8180176.2177.80108.3L7L7-K9 PolarHBondContact O-N 3.32Å; L7-K9 VanDerWaalsContact O-N 3.16Å
10M52.2Low50Low116 Ų116137 Ų13757%0.57169%0.693SS**  trans-65.7129.6168.9-73.3173.662.300109.2A8 I15 I18A8-M10 PolarHBondContact O-N 3.15Å; M10-I15 HydrophobicContact CB-CG1 4.49Å; M10-I15 HydrophobicContact CE-CG1 4.21Å; M10-I18 HydrophobicContact CE-CD1 3.65Å
11N63.4Low50.1Low116 Ų116137.6 Ų137.662%0.6270%0.697SS**  trans-77.8149.2-177.7-129.5-10.3000110M13 D14 I15N11-M13 PolarHBondContact O-N 2.8Å; N11-M13 VanDerWaalsContact O-N 3.1Å; N11-D14 WeakPolarHBondContact CB-OD2 3.18Å; N11-D14 PolarHBondContact N-OD2 3.46Å; N11-D14 WeakPolarHBondContact O-CB 3.25Å; N11-D14 PolarHBondContact O-N 2.96Å; N11-I15 PolarHBondContact O-N 3.43Å
12L50.6Low50.8Low135 Ų135132 Ų13271%0.70767%0.672SS**Hα-helixtrans-58.7-27.5-177.7-165.771.9000112.8T16L12-T16 PolarHBondContact O-N 3.13Å; L12-T16 VanDerWaalsContact O-N 3.11Å; L12-T16 PolarHBondContact O-OG1 2.89Å
13M59.7Low51.2Low150 Ų150125.3 Ų125.374%0.73965%0.651SS**Hα-helixtrans-70.1-30173.3-77.8179.9172.800113.8N11 T16 K17N11-M13 PolarHBondContact O-N 2.8Å; N11-M13 VanDerWaalsContact O-N 3.1Å; M13-T16 VanDerWaalsContact CA-OG1 3.24Å; M13-T16 WeakPolarHBondContact CA-OG1 3.31Å; M13-T16 PolarHBondContact O-OG1 3.25Å; M13-T16 VanDerWaalsContact O-OG1 3.14Å; M13-K17 PolarHBondContact O-N 3.14Å; M13-K17 VanDerWaalsContact O-N 3.13Å
14D58.9Low51.7Low83 Ų83121.1 Ų121.144%0.44463%0.634SS.*Hα-helixtrans-77.2-36.5177.1-61.6-43.5000110.6N11 K17 I18N11-D14 WeakPolarHBondContact CB-OD2 3.18Å; N11-D14 PolarHBondContact N-OD2 3.46Å; N11-D14 WeakPolarHBondContact O-CB 3.25Å; N11-D14 PolarHBondContact O-N 2.96Å; D14-K17 PolarHBondContact O-N 3.49Å; D14-I18 WeakPolarHBondContact O-CB 3.48Å; D14-I18 WeakPolarHBondContact O-CD1 3.44Å; D14-I18 WeakPolarHBondContact O-CG1 3.38Å; D14-I18 PolarHBondContact O-N 3.09Å
15I59Low51.9Low61 Ų61121 Ų12131%0.31363%0.629SS.*Hα-helixtrans-64.5-45.7174.2-64.3172.2000110.2M10 N11 K17 I18 F19M10-I15 HydrophobicContact CB-CG1 4.49Å; M10-I15 HydrophobicContact CE-CG1 4.21Å; N11-I15 PolarHBondContact O-N 3.43Å; I15-K17 PolarHBondContact O-N 2.98Å; I15-I18 PolarHBondContact O-N 3.16Å; I15-F19 HydrophobicContact CG2-CD2 3.58Å; I15-F19 HydrophobicContact CG2-CE2 3.54Å; I15-F19 WeakPolarHBondContact O-CD2 3.24Å; I15-F19 PolarHBondContact O-N 3.25Å
16T56.5Low52.2Low85 Ų85120.2 Ų120.252%0.52162%0.619SS.*Hα-helixtrans-65.2-35.9177.533.30000112.9L12 M13 F19 S20L12-T16 PolarHBondContact O-N 3.13Å; L12-T16 VanDerWaalsContact O-N 3.11Å; L12-T16 PolarHBondContact O-OG1 2.89Å; M13-T16 VanDerWaalsContact CA-OG1 3.24Å; M13-T16 WeakPolarHBondContact CA-OG1 3.31Å; M13-T16 PolarHBondContact O-OG1 3.25Å; M13-T16 VanDerWaalsContact O-OG1 3.14Å; T16-F19 PolarHBondContact O-N 3.2Å; T16-S20 PolarHBondContact O-N 3.38Å; T16-S20 PolarHBondContact O-OG 2.69Å
17K60.8Low52.4Low144 Ų144119.5 Ų119.563%0.62662%0.616SS**Hα-helixtrans-65.5-40.4171.4-88.3-178176.5178.90113.4M13 D14 I15 F19 S20 L21M13-K17 PolarHBondContact O-N 3.14Å; M13-K17 VanDerWaalsContact O-N 3.13Å; D14-K17 PolarHBondContact O-N 3.49Å; I15-K17 PolarHBondContact O-N 2.98Å; K17-F19 VanDerWaalsContact C-N 3.34Å; K17-S20 VanDerWaalsContact CA-OG 3.25Å; K17-S20 WeakPolarHBondContact CA-OG 3.42Å; K17-S20 PolarHBondContact O-N 2.68Å; K17-S20 PolarHBondContact O-OG 2.8Å; K17-L21 VanDerWaalsContact O-CG 3.31Å; K17-L21 WeakPolarHBondContact O-CG 3.46Å; K17-L21 PolarHBondContact O-N 3.39Å; K17-L21 VanDerWaalsContact O-N 3.08Å
18I59.2Low52.5Low80 Ų80118.3 Ų118.341%0.4161%0.606SS.*Hα-helixtrans-64.4-41.3174.7-69.7163.2000110.2M10 D14 I15 L21 L22M10-I18 HydrophobicContact CE-CD1 3.65Å; D14-I18 WeakPolarHBondContact O-CB 3.48Å; D14-I18 WeakPolarHBondContact O-CD1 3.44Å; D14-I18 WeakPolarHBondContact O-CG1 3.38Å; D14-I18 PolarHBondContact O-N 3.09Å; I15-I18 PolarHBondContact O-N 3.16Å; I18-L21 PolarHBondContact O-N 3.03Å; I18-L22 HydrophobicContact CG2-CD1 3.85Å; I18-L22 WeakPolarHBondContact O-CD1 3.35Å; I18-L22 WeakPolarHBondContact O-CG 3.4Å; I18-L22 PolarHBondContact O-N 3.29Å; I18-L22 VanDerWaalsContact O-N 3.15Å
19F55.8Low52.3Low130 Ų130119.2 Ų119.257%0.5760%0.595SS**Hα-helixtrans-67.8-34.1175.4-85.9-72.2000113.3I15 T16 K17 L21 L22 Q23I15-F19 HydrophobicContact CG2-CD2 3.58Å; I15-F19 HydrophobicContact CG2-CE2 3.54Å; I15-F19 WeakPolarHBondContact O-CD2 3.24Å; I15-F19 PolarHBondContact O-N 3.25Å; T16-F19 PolarHBondContact O-N 3.2Å; K17-F19 VanDerWaalsContact C-N 3.34Å; F19-L21 VanDerWaalsContact C-N 3.34Å; F19-L22 PolarHBondContact O-N 3.14Å; F19-Q23 PolarHBondContact O-N 3Å
20S56.2Low52.3Low69 Ų69114.9 Ų114.948%0.48358%0.582SS.*Hα-helixtrans-71.7-26.6173.952.50000113.5T16 K17 L22T16-S20 PolarHBondContact O-N 3.38Å; T16-S20 PolarHBondContact O-OG 2.69Å; K17-S20 VanDerWaalsContact CA-OG 3.25Å; K17-S20 WeakPolarHBondContact CA-OG 3.42Å; K17-S20 PolarHBondContact O-N 2.68Å; K17-S20 PolarHBondContact O-OG 2.8Å; S20-L22 VanDerWaalsContact C-N 3.33Å
21L52.8Low52.4Low149 Ų149112.8 Ų112.878%0.7858%0.576SS**Hα-helixtrans-82.1-12.6173.7-70.8166000113.1K17 I18 F19K17-L21 VanDerWaalsContact O-CG 3.31Å; K17-L21 WeakPolarHBondContact O-CG 3.46Å; K17-L21 PolarHBondContact O-N 3.39Å; K17-L21 VanDerWaalsContact O-N 3.08Å; I18-L21 PolarHBondContact O-N 3.03Å; F19-L21 VanDerWaalsContact C-N 3.34Å
22L51.7Low52.4Low125 Ų125109.6 Ų109.665%0.65456%0.559SS**SBendtrans-99.8-5.5175.9-78.8163.8000112.8I18 F19 S20I18-L22 HydrophobicContact CG2-CD1 3.85Å; I18-L22 WeakPolarHBondContact O-CD1 3.35Å; I18-L22 WeakPolarHBondContact O-CG 3.4Å; I18-L22 PolarHBondContact O-N 3.29Å; I18-L22 VanDerWaalsContact O-N 3.15Å; F19-L22 PolarHBondContact O-N 3.14Å; S20-L22 VanDerWaalsContact C-N 3.33Å
23Q42.1Very low53.7Low103 Ų103106.5 Ų106.548%0.48155%0.545SS..SBendtrans-80.5125.4169.6-76.4179.39.900107.7F19 D25F19-Q23 PolarHBondContact O-N 3Å; Q23-D25 PolarHBondContact O-N 3.03Å
24P46Very low54.9Low74 Ų74105.6 Ų105.648%0.48154%0.539SS..  trans-54.7139.6167.123.4-30.3000108.4K26 E29P24-K26 PolarHBondContact O-N 3.34Å; P24-E29 HydrophobicContact CB-CG 4.36Å; P24-E29 HydrophobicContact CG-CG 4.5Å; P24-E29 WeakPolarHBondContact CG-OE1 3.45Å
25D41Very low56.4Low121 Ų121102 Ų10265%0.64752%0.52SS*.  trans-55.1110.7-178.3-74.3-48000109.4Q23 E27 E28 E29Q23-D25 PolarHBondContact O-N 3.03Å; D25-E27 PolarHBondContact O-N 3.02Å; D25-E28 PolarHBondContact O-N 3.28Å; D25-E29 PolarHBondContact O-N 3.09Å
26K45.1Very low57.8Low138 Ų138101.4 Ų101.460%0.652%0.515SS*.Hα-helixtrans-58.9-22-172.7-71.5-176.7177-179.50113.8P24 D30P24-K26 PolarHBondContact O-N 3.34Å; K26-D30 PolarHBondContact O-N 3.23Å
27E43.6Very low59.4Low170 Ų170103.1 Ų103.179%0.79452%0.517SS*.Hα-helixtrans-77.9-28.4178.8-64.5-177.2177.800112.8D25 T31D25-E27 PolarHBondContact O-N 3.02Å; E27-T31 PolarHBondContact O-OG1 2.87Å
28E43.5Very low60.9Low139 Ų13997.8 Ų97.865%0.6550%0.5SS*.Hα-helixtrans-80.9-32173-68.2-168.6165.100111.6D25 T31 D32D25-E28 PolarHBondContact O-N 3.28Å; E28-T31 PolarHBondContact O-OG1 3.09Å; E28-D32 WeakPolarHBondContact O-CB 3.2Å; E28-D32 PolarHBondContact O-N 2.83Å
29E47.1Very low62.6Low106 Ų10694 Ų9450%0.49548%0.48SS..Hα-helixtrans-69.4-35.8174.3-81.7-170.8153.800113.4P24 D25 T33P24-E29 HydrophobicContact CB-CG 4.36Å; P24-E29 HydrophobicContact CG-CG 4.5Å; P24-E29 WeakPolarHBondContact CG-OE1 3.45Å; D25-E29 PolarHBondContact O-N 3.09Å; E29-T33 WeakPolarHBondContact O-CB 3.47Å; E29-T33 PolarHBondContact O-N 2.9Å; E29-T33 PolarHBondContact O-OG1 3.3Å
30D52.4Low64.4Low119 Ų11988.8 Ų88.864%0.63646%0.459SS*.Hα-helixtrans-72.4-39.6-177.8-100.3-18.9000112.7K26 T33K26-D30 PolarHBondContact O-N 3.23Å; D30-T33 WeakPolarHBondContact O-CB 3.28Å; D30-T33 PolarHBondContact O-N 2.69Å
31T54.8Low66.1Low72 Ų7289.6 Ų89.644%0.44246%0.455SS..Hα-helixtrans-70.9-49.1-179.350.10000111.8E27 E28 T33 E34E27-T31 PolarHBondContact O-OG1 2.87Å; E28-T31 PolarHBondContact O-OG1 3.09Å; T31-T33 PolarHBondContact O-N 3.46Å; T31-E34 WeakPolarHBondContact O-CB 3.3Å; T31-E34 PolarHBondContact O-N 3.32Å
32D64.4Low68.2Low48 Ų4882.8 Ų82.826%0.25742%0.42SS..Hα-helixtrans-57.6-22.3176.4-78.77.6000113.5E28 E35 K36 F63E28-D32 WeakPolarHBondContact O-CB 3.2Å; E28-D32 PolarHBondContact O-N 2.83Å; D32-E35 WeakPolarHBondContact CA-OE2 3.45Å; D32-K36 WeakPolarHBondContact O-CD 3.45Å; D32-K36 WeakPolarHBondContact O-CE 3.37Å; D32-K36 WeakPolarHBondContact O-CG 3.18Å; D32-K36 PolarHBondContact O-N 3.35Å; D32-F63 HydrophobicContact CB-CE1 4.11Å; D32-F63 HydrophobicContact CB-CZ 3.85Å; D32-F63 WeakPolarHBondContact OD1-CZ 3.35Å; D32-F63 WeakPolarHBondContact OD2-CZ 3.28Å
33T76.3Confident70.3Confident70 Ų7076.9 Ų76.943%0.42939%0.389SS..Hα-helixtrans-73.9-36175.5-61.20000111.3E29 D30 T31 Q37E29-T33 WeakPolarHBondContact O-CB 3.47Å; E29-T33 PolarHBondContact O-N 2.9Å; E29-T33 PolarHBondContact O-OG1 3.3Å; D30-T33 WeakPolarHBondContact O-CB 3.28Å; D30-T33 PolarHBondContact O-N 2.69Å; T31-T33 PolarHBondContact O-N 3.46Å; T33-Q37 WeakPolarHBondContact O-CB 3.26Å; T33-Q37 PolarHBondContact O-N 3.49Å
34E85.2Confident72.8Confident131 Ų13178.3 Ų78.361%0.61239%0.391SS*.Hα-helixtrans-66.1-44.9177.5-64.7-171.9167.400112T31 Q37 A38T31-E34 WeakPolarHBondContact O-CB 3.3Å; T31-E34 PolarHBondContact O-N 3.32Å; E34-Q37 PolarHBondContact O-N 3.03Å; E34-A38 WeakPolarHBondContact O-CB 3.45Å; E34-A38 PolarHBondContact O-N 3.03Å
35E90.3Very high75.2Confident9 Ų979.3 Ų79.34%0.04239%0.392CS..Hα-helixtrans-67.2-41.7179.1-71.1102.9165.300112.8D32 Q37 A38 L39 R59 Y60 F63D32-E35 WeakPolarHBondContact CA-OE2 3.45Å; E35-Q37 VanDerWaalsContact C-N 3.3Å; E35-Q37 PolarHBondContact O-N 2.97Å; E35-A38 PolarHBondContact O-N 3.45Å; E35-L39 WeakPolarHBondContact O-CG 3.4Å; E35-L39 PolarHBondContact O-N 3.25Å; E35-R59 IonicContact OE1-CZ 3.94Å; E35-R59 IonicContact OE1-NE 2.83Å; E35-R59 PolarHBondContact OE1-NE 3.28Å; E35-R59 IonicContact OE1-NH2 3.84Å; E35-R59 PolarHBondContact OE1-NH2 3.15Å; E35-Y60 HydrophobicContact CB-CD1 3.55Å; E35-Y60 HydrophobicContact CB-CE1 3.74Å; E35-Y60 HydrophobicContact CB-CG 4.42Å; E35-Y60 HydrophobicContact CG-CD1 3.6Å; E35-Y60 HydrophobicContact CG-CE1 3.46Å; E35-Y60 VanDerWaalsContact CG-CE1 3.46Å; E35-Y60 HydrophobicContact CG-CG 4.24Å; E35-F63 HydrophobicContact CB-CD2 3.69Å; E35-F63 HydrophobicContact CB-CE2 4.02Å; E35-F63 HydrophobicContact CG-CD2 4.46Å; E35-F63 HydrophobicContact CG-CE2 4.44Å
36K89.8Confident77.8Confident47 Ų4777.1 Ų77.120%0.20438%0.381CS..Hα-helixtrans-60.1-43.7174.5-70.6166.8-162.8157.70110.5D32 L39 N40 F63D32-K36 WeakPolarHBondContact O-CD 3.45Å; D32-K36 WeakPolarHBondContact O-CE 3.37Å; D32-K36 WeakPolarHBondContact O-CG 3.18Å; D32-K36 PolarHBondContact O-N 3.35Å; K36-L39 PolarHBondContact O-N 3.38Å; K36-N40 WeakPolarHBondContact O-CB 3.47Å; K36-N40 VanDerWaalsContact O-CG 3.28Å; K36-N40 PolarHBondContact O-N 2.89Å; K36-N40 PolarHBondContact O-ND2 2.91Å; K36-F63 HydrophobicContact CD-CD1 4.34Å; K36-F63 HydrophobicContact CG-CB 3.92Å; K36-F63 HydrophobicContact CG-CD1 4.09Å; K36-F63 HydrophobicContact CG-CG 3.98Å
37Q89.6Confident80.4Confident121 Ų12173.5 Ų73.557%0.56537%0.368SS*.Hα-helixtrans-66.2-41.6178.7-174.3170.9-6.500111.7T33 E34 E35 N40 Q41T33-Q37 WeakPolarHBondContact O-CB 3.26Å; T33-Q37 PolarHBondContact O-N 3.49Å; E34-Q37 PolarHBondContact O-N 3.03Å; E35-Q37 VanDerWaalsContact C-N 3.3Å; E35-Q37 PolarHBondContact O-N 2.97Å; Q37-N40 PolarHBondContact O-N 3.11Å; Q37-Q41 VanDerWaalsContact O-CB 3.23Å; Q37-Q41 WeakPolarHBondContact O-CB 3.43Å; Q37-Q41 PolarHBondContact O-N 3.25Å
38A93Very high82.9Confident32 Ų3267.1 Ų67.126%0.26434%0.342SS..Hα-helixtrans-62.2-43.8176.900000112.2E34 E35 Q41 A42 L54 Y60E34-A38 WeakPolarHBondContact O-CB 3.45Å; E34-A38 PolarHBondContact O-N 3.03Å; E35-A38 PolarHBondContact O-N 3.45Å; A38-Q41 PolarHBondContact O-N 2.78Å; A38-A42 WeakPolarHBondContact O-CB 3.37Å; A38-A42 PolarHBondContact O-N 2.94Å; A38-L54 HydrophobicContact CB-CD1 4.3Å; A38-Y60 HydrophobicContact CB-CE1 3.93Å
39L94.5Very high85.5Confident0 Ų067.8 Ų67.80%034%0.34CS..Hα-helixtrans-60.8-47.3174.7-72.1176.2000111.5E35 K36 Q41 A42 V43 L51 L54 L55 Y60 F63 P76E35-L39 WeakPolarHBondContact O-CG 3.4Å; E35-L39 PolarHBondContact O-N 3.25Å; K36-L39 PolarHBondContact O-N 3.38Å; L39-Q41 VanDerWaalsContact C-N 3.34Å; L39-Q41 PolarHBondContact O-N 3.39Å; L39-A42 PolarHBondContact O-N 3.41Å; L39-V43 WeakPolarHBondContact O-CG2 3.29Å; L39-V43 PolarHBondContact O-N 3.25Å; L39-L51 HydrophobicContact CD2-CD1 3.78Å; L39-L54 HydrophobicContact CD2-CB 3.96Å; L39-L54 HydrophobicContact CD2-CD1 4.33Å; L39-L55 HydrophobicContact CD1-CD2 4.29Å; L39-L55 HydrophobicContact CD2-CD2 3.66Å; L39-L55 HydrophobicContact CD2-CG 3.92Å; L39-Y60 HydrophobicContact CD2-CD1 4.42Å; L39-Y60 HydrophobicContact CG-CD1 4.19Å; L39-F63 HydrophobicContact CD1-CB 4.17Å; L39-P76 HydrophobicContact CB-CG 4.39Å
40N92.1Very high88Confident22 Ų2265.4 Ų65.412%0.11833%0.332CS..Hα-helixtrans-65.5-37.7178.8-72-15000112.6K36 Q37 V43 Y44 S68 L79K36-N40 WeakPolarHBondContact O-CB 3.47Å; K36-N40 VanDerWaalsContact O-CG 3.28Å; K36-N40 PolarHBondContact O-N 2.89Å; K36-N40 PolarHBondContact O-ND2 2.91Å; Q37-N40 PolarHBondContact O-N 3.11Å; N40-V43 PolarHBondContact O-N 3.02Å; N40-Y44 VanDerWaalsContact O-CB 3.27Å; N40-Y44 WeakPolarHBondContact O-CB 3.42Å; N40-Y44 PolarHBondContact O-N 3.27Å; N40-S68 PolarHBondContact ND2-OG 2.92Å; N40-L79 HydrophobicContact CB-CD1 3.97Å; N40-L79 WeakPolarHBondContact OD1-CD1 3.19Å
41Q93.1Very high90.1Very high86 Ų8659.7 Ų59.740%0.40230%0.302SS..Hα-helixtrans-65.8-45.8178.6-171.760.647.300110.3Q37 A38 L39 V43 Y44 D45Q37-Q41 VanDerWaalsContact O-CB 3.23Å; Q37-Q41 WeakPolarHBondContact O-CB 3.43Å; Q37-Q41 PolarHBondContact O-N 3.25Å; A38-Q41 PolarHBondContact O-N 2.78Å; L39-Q41 VanDerWaalsContact C-N 3.34Å; L39-Q41 PolarHBondContact O-N 3.39Å; Q41-V43 VanDerWaalsContact C-N 3.28Å; Q41-V43 PolarHBondContact O-N 3.17Å; Q41-Y44 PolarHBondContact O-N 3.02Å; Q41-Y44 VanDerWaalsContact O-N 3.11Å; Q41-D45 WeakPolarHBondContact CG-OD2 3.19Å; Q41-D45 PolarHBondContact NE2-OD1 3.1Å; Q41-D45 PolarHBondContact NE2-OD2 3.44Å; Q41-D45 WeakPolarHBondContact O-CB 3.29Å; Q41-D45 PolarHBondContact O-N 3.37Å
42A96.7Very high92.2Very high6 Ų657.9 Ų57.95%0.0529%0.289CS..Hα-helixtrans-59.5-39.6174.600000112A38 L39 N46 D47 T50 L51 L54A38-A42 WeakPolarHBondContact O-CB 3.37Å; A38-A42 PolarHBondContact O-N 2.94Å; L39-A42 PolarHBondContact O-N 3.41Å; A42-N46 PolarHBondContact O-N 2.91Å; A42-D47 PolarHBondContact O-N 3.07Å; A42-T50 HydrophobicContact CB-CG2 4.4Å; A42-L51 HydrophobicContact CB-CB 4.08Å; A42-L51 HydrophobicContact CB-CD1 4.28Å; A42-L54 HydrophobicContact CB-CD1 4.22Å
43V96Very high93.8Very high0 Ų059 Ų590%029%0.293CS..Hα-helixtrans-64.3-48.3172.4173.10000111.1L39 N40 Q41 D45 N46 L51 P76 L79 A80 H85 L92L39-V43 WeakPolarHBondContact O-CG2 3.29Å; L39-V43 PolarHBondContact O-N 3.25Å; N40-V43 PolarHBondContact O-N 3.02Å; Q41-V43 VanDerWaalsContact C-N 3.28Å; Q41-V43 PolarHBondContact O-N 3.17Å; V43-D45 VanDerWaalsContact C-N 3.3Å; V43-D45 PolarHBondContact O-N 3.44Å; V43-N46 WeakPolarHBondContact O-CA 3.47Å; V43-N46 PolarHBondContact O-N 3.33Å; V43-L51 HydrophobicContact CG2-CD1 4.03Å; V43-L51 HydrophobicContact CG2-CD2 3.68Å; V43-P76 HydrophobicContact CG2-CB 4.18Å; V43-L79 HydrophobicContact CG1-CB 3.87Å; V43-A80 HydrophobicContact CG1-CB 3.79Å; V43-H85 PolarHBondContact O-CD2 3.16Å; V43-L92 HydrophobicContact CG2-CD1 3.98Å
44Y93.5Very high94.8Very high134 Ų13456.8 Ų56.853%0.52528%0.278SS..Hα-helixtrans-60.1-38.6-178.6-179.1-89.7000112.6N40 Q41 N46 Y83N40-Y44 VanDerWaalsContact O-CB 3.27Å; N40-Y44 WeakPolarHBondContact O-CB 3.42Å; N40-Y44 PolarHBondContact O-N 3.27Å; Q41-Y44 PolarHBondContact O-N 3.02Å; Q41-Y44 VanDerWaalsContact O-N 3.11Å; Y44-N46 PolarHBondContact O-N 3.28Å; Y44-Y83 AromaticContact CD2-CE2 3.92Å; Y44-Y83 HydrophobicContact CD2-CE2 3.92Å; Y44-Y83 AromaticContact CD2-CZ 3.83Å; Y44-Y83 AromaticContact CE2-CZ 3.95Å; Y44-Y83 WeakPolarHBondContact CE2-OH 3.28Å
45D96.2Very high95.4Very high95 Ų9550.6 Ų50.651%0.50825%0.249SC..THydrogen-bonded Turntrans-79.50.5176.7-63.7-30.2000112.6Q41 V43 D47Q41-D45 WeakPolarHBondContact CG-OD2 3.19Å; Q41-D45 PolarHBondContact NE2-OD1 3.1Å; Q41-D45 PolarHBondContact NE2-OD2 3.44Å; Q41-D45 WeakPolarHBondContact O-CB 3.29Å; Q41-D45 PolarHBondContact O-N 3.37Å; V43-D45 VanDerWaalsContact C-N 3.3Å; V43-D45 PolarHBondContact O-N 3.44Å; D45-D47 PolarHBondContact O-N 3.25Å
46N97.4Very high95.7Very high75 Ų7556.7 Ų56.740%0.40127%0.272SS..THydrogen-bonded Turntrans54.932-174.2-16731.3000113.1A42 V43 Y44 S48 H85A42-N46 PolarHBondContact O-N 2.91Å; V43-N46 WeakPolarHBondContact O-CA 3.47Å; V43-N46 PolarHBondContact O-N 3.33Å; Y44-N46 PolarHBondContact O-N 3.28Å; N46-S48 PolarHBondContact O-N 3.45Å; N46-H85 VanDerWaalsContact OD1-CB 3.22Å; N46-H85 WeakPolarHBondContact OD1-CB 3.32Å; N46-H85 VanDerWaalsContact OD1-CG 3.29Å; N46-H85 PolarHBondContact OD1-ND1 3.28Å
47D97.9Very high96Very high61 Ų6158.6 Ų58.633%0.32628%0.282SS..  trans-92.980.7-179.8-171-10.3000111A42 D45 Y49 T50 L51A42-D47 PolarHBondContact O-N 3.07Å; D45-D47 PolarHBondContact O-N 3.25Å; D47-Y49 PolarHBondContact O-N 2.97Å; D47-Y49 PolarHBondContact OD1-N 2.93Å; D47-Y49 VanDerWaalsContact OD1-N 3.16Å; D47-T50 VanDerWaalsContact CG-CB 3.42Å; D47-T50 PolarHBondContact O-N 3.03Å; D47-T50 PolarHBondContact OD1-N 2.99Å; D47-T50 PolarHBondContact OD1-OG1 3.19Å; D47-T50 WeakPolarHBondContact OD2-CB 3.43Å; D47-T50 PolarHBondContact OD2-OG1 2.79Å; D47-L51 VanDerWaalsContact O-CB 3.28Å; D47-L51 WeakPolarHBondContact O-CB 3.4Å; D47-L51 PolarHBondContact O-N 3.02Å
48S97.9Very high96.1Very high36 Ų3659.4 Ų59.425%0.25229%0.285SS..Hα-helixtrans-62.1-27.1177.662.20000113.8N46 D52N46-S48 PolarHBondContact O-N 3.45Å; S48-D52 VanDerWaalsContact O-CB 3.29Å; S48-D52 WeakPolarHBondContact O-CB 3.32Å; S48-D52 PolarHBondContact O-N 3.35Å
49Y98Very high96.1Very high154 Ų15462.8 Ų62.860%0.60429%0.292SS*.Hα-helixtrans-72.6-50.9179.8175.2-95.3000110.5D47 L51 D52 Q53D47-Y49 PolarHBondContact O-N 2.97Å; D47-Y49 PolarHBondContact OD1-N 2.93Å; D47-Y49 VanDerWaalsContact OD1-N 3.16Å; Y49-L51 VanDerWaalsContact C-N 3.29Å; Y49-L51 PolarHBondContact O-N 3.35Å; Y49-D52 PolarHBondContact O-N 3.47Å; Y49-Q53 HydrophobicContact CD1-CG 4.43Å; Y49-Q53 HydrophobicContact CE1-CG 4.03Å; Y49-Q53 WeakPolarHBondContact O-CG 3.34Å; Y49-Q53 PolarHBondContact O-N 2.91Å
50T97.9Very high96.1Very high55 Ų5564.2 Ų64.234%0.33730%0.297SS..Hα-helixtrans-61.7-42.3176-64.30000110.4A42 D47 D52 Q53 L54A42-T50 HydrophobicContact CB-CG2 4.4Å; D47-T50 VanDerWaalsContact CG-CB 3.42Å; D47-T50 PolarHBondContact O-N 3.03Å; D47-T50 PolarHBondContact OD1-N 2.99Å; D47-T50 PolarHBondContact OD1-OG1 3.19Å; D47-T50 WeakPolarHBondContact OD2-CB 3.43Å; D47-T50 PolarHBondContact OD2-OG1 2.79Å; T50-D52 VanDerWaalsContact C-N 3.33Å; T50-D52 PolarHBondContact O-N 2.84Å; T50-Q53 PolarHBondContact O-N 3.1Å; T50-Q53 VanDerWaalsContact O-N 3.17Å; T50-L54 HydrophobicContact CG2-CD1 4.12Å; T50-L54 HydrophobicContact CG2-CG 4.28Å; T50-L54 VanDerWaalsContact O-CG 3.29Å; T50-L54 WeakPolarHBondContact O-CG 3.36Å; T50-L54 PolarHBondContact O-N 2.94Å
51L98.1Very high96.2Very high0 Ų067 Ų670%031%0.308CS..Hα-helixtrans-56.4-45.7176.2-176.261.3000112.5L39 A42 V43 D47 Y49 L54 L55 C88 V91 L92L39-L51 HydrophobicContact CD2-CD1 3.78Å; A42-L51 HydrophobicContact CB-CB 4.08Å; A42-L51 HydrophobicContact CB-CD1 4.28Å; V43-L51 HydrophobicContact CG2-CD1 4.03Å; V43-L51 HydrophobicContact CG2-CD2 3.68Å; D47-L51 VanDerWaalsContact O-CB 3.28Å; D47-L51 WeakPolarHBondContact O-CB 3.4Å; D47-L51 PolarHBondContact O-N 3.02Å; Y49-L51 VanDerWaalsContact C-N 3.29Å; Y49-L51 PolarHBondContact O-N 3.35Å; L51-L54 PolarHBondContact O-N 3.4Å; L51-L55 HydrophobicContact CD1-CD1 4.03Å; L51-L55 HydrophobicContact CD1-CG 4.39Å; L51-L55 HydrophobicContact CG-CD1 3.97Å; L51-L55 WeakPolarHBondContact O-CG 3.38Å; L51-L55 PolarHBondContact O-N 3.45Å; L51-C88 HydrophobicContact CD2-CB 3.73Å; L51-V91 HydrophobicContact CD2-CG1 4.31Å; L51-V91 HydrophobicContact CG-CG1 4.16Å; L51-L92 HydrophobicContact CD1-CD2 4.37Å; L51-L92 HydrophobicContact CD2-CD1 4.15Å; L51-L92 HydrophobicContact CD2-CD2 4.28Å; L51-L92 HydrophobicContact CD2-CG 3.89Å
52D98.3Very high96.1Very high33 Ų3370.1 Ų70.118%0.17632%0.316CS..Hα-helixtrans-64.4-40177.1-178.947.3000112.1S48 Y49 T50 L55 R56 V91 H95S48-D52 VanDerWaalsContact O-CB 3.29Å; S48-D52 WeakPolarHBondContact O-CB 3.32Å; S48-D52 PolarHBondContact O-N 3.35Å; Y49-D52 PolarHBondContact O-N 3.47Å; T50-D52 VanDerWaalsContact C-N 3.33Å; T50-D52 PolarHBondContact O-N 2.84Å; D52-L55 PolarHBondContact O-N 3.34Å; D52-R56 VanDerWaalsContact CG-NH1 3.33Å; D52-R56 WeakPolarHBondContact O-CG 3.4Å; D52-R56 PolarHBondContact O-N 3.38Å; D52-R56 VanDerWaalsContact O-N 3.16Å; D52-R56 IonicContact OD1-CZ 3.77Å; D52-R56 IonicContact OD1-NH1 3.78Å; D52-R56 IonicContact OD1-NH2 3.54Å; D52-R56 IonicContact OD2-CZ 3.05Å; D52-R56 IonicContact OD2-NH1 2.69Å; D52-R56 PolarHBondContact OD2-NH1 2.89Å; D52-R56 IonicContact OD2-NH2 2.68Å; D52-R56 PolarHBondContact OD2-NH2 2.67Å; D52-V91 HydrophobicContact CB-CG1 3.76Å; D52-V91 HydrophobicContact CB-CG2 4.3Å; D52-H95 IonicContact OD1-CD2 3.18Å; D52-H95 IonicContact OD1-CE1 3.75Å; D52-H95 IonicContact OD1-NE2 2.8Å; D52-H95 PolarHBondContact OD1-NE2 2.95Å
53Q97.8Very high96Very high72 Ų7270.5 Ų70.534%0.33632%0.317SS..Hα-helixtrans-65.3-37.6174.5-64.8-55.7-23.600113.1Y49 T50 R56 Q57Y49-Q53 HydrophobicContact CD1-CG 4.43Å; Y49-Q53 HydrophobicContact CE1-CG 4.03Å; Y49-Q53 WeakPolarHBondContact O-CG 3.34Å; Y49-Q53 PolarHBondContact O-N 2.91Å; T50-Q53 PolarHBondContact O-N 3.1Å; T50-Q53 VanDerWaalsContact O-N 3.17Å; Q53-R56 VanDerWaalsContact CD-NH1 3.34Å; Q53-Q57 PolarHBondContact O-NE2 3.43Å
54L97Very high95.9Very high23 Ų2370.9 Ų70.912%0.1232%0.319CS..Hα-helixtrans-65.1-48.6175.2-66.6174.3000110.3A38 L39 A42 T50 L51 R56 Q57 Y60A38-L54 HydrophobicContact CB-CD1 4.3Å; L39-L54 HydrophobicContact CD2-CB 3.96Å; L39-L54 HydrophobicContact CD2-CD1 4.33Å; A42-L54 HydrophobicContact CB-CD1 4.22Å; T50-L54 HydrophobicContact CG2-CD1 4.12Å; T50-L54 HydrophobicContact CG2-CG 4.28Å; T50-L54 VanDerWaalsContact O-CG 3.29Å; T50-L54 WeakPolarHBondContact O-CG 3.36Å; T50-L54 PolarHBondContact O-N 2.94Å; L51-L54 PolarHBondContact O-N 3.4Å; L54-R56 VanDerWaalsContact C-N 3.28Å; L54-R56 PolarHBondContact O-N 3.02Å; L54-Q57 WeakPolarHBondContact O-CB 3.18Å; L54-Q57 PolarHBondContact O-N 3.23Å; L54-Y60 HydrophobicContact CB-CD1 4.31Å; L54-Y60 HydrophobicContact CB-CD2 4.25Å; L54-Y60 HydrophobicContact CB-CG 4.09Å; L54-Y60 HydrophobicContact CD2-CD1 4.29Å; L54-Y60 HydrophobicContact CD2-CD2 4.21Å; L54-Y60 HydrophobicContact CD2-CE1 3.85Å; L54-Y60 HydrophobicContact CD2-CE2 3.78Å; L54-Y60 HydrophobicContact CD2-CG 4.47Å; L54-Y60 WeakPolarHBondContact O-CB 3.17Å; L54-Y60 WeakPolarHBondContact O-CD2 3.19Å
55L97.3Very high95.9Very high1 Ų167.8 Ų67.81%0.00531%0.311CS..Hα-helixtrans-69.7-18.8-175.6-69.4170.3000114.6L39 L51 D52 Q57 I64 V91 L92 H95L39-L55 HydrophobicContact CD1-CD2 4.29Å; L39-L55 HydrophobicContact CD2-CD2 3.66Å; L39-L55 HydrophobicContact CD2-CG 3.92Å; L51-L55 HydrophobicContact CD1-CD1 4.03Å; L51-L55 HydrophobicContact CD1-CG 4.39Å; L51-L55 HydrophobicContact CG-CD1 3.97Å; L51-L55 WeakPolarHBondContact O-CG 3.38Å; L51-L55 PolarHBondContact O-N 3.45Å; D52-L55 PolarHBondContact O-N 3.34Å; L55-Q57 PolarHBondContact O-N 3.32Å; L55-I64 HydrophobicContact CD1-CD1 4.28Å; L55-I64 HydrophobicContact CD2-CB 4.15Å; L55-I64 HydrophobicContact CD2-CD1 3.97Å; L55-I64 HydrophobicContact CD2-CG1 3.98Å; L55-V91 HydrophobicContact CD1-CG1 4.07Å; L55-L92 HydrophobicContact CD1-CD2 3.85Å; L55-H95 HydrophobicContact CB-CB 4.24Å; L55-H95 HydrophobicContact CD1-CB 4.11Å
56R96.8Very high95.5Very high137 Ų13764.7 Ų64.752%0.51730%0.297SS..THydrogen-bonded Turntrans-64.4-22.1168.2-78.5-172.5-177.888.214.6113.6D52 Q53 L54D52-R56 VanDerWaalsContact CG-NH1 3.33Å; D52-R56 WeakPolarHBondContact O-CG 3.4Å; D52-R56 PolarHBondContact O-N 3.38Å; D52-R56 VanDerWaalsContact O-N 3.16Å; D52-R56 IonicContact OD1-CZ 3.77Å; D52-R56 IonicContact OD1-NH1 3.78Å; D52-R56 IonicContact OD1-NH2 3.54Å; D52-R56 IonicContact OD2-CZ 3.05Å; D52-R56 IonicContact OD2-NH1 2.69Å; D52-R56 PolarHBondContact OD2-NH1 2.89Å; D52-R56 IonicContact OD2-NH2 2.68Å; D52-R56 PolarHBondContact OD2-NH2 2.67Å; Q53-R56 VanDerWaalsContact CD-NH1 3.34Å; L54-R56 VanDerWaalsContact C-N 3.28Å; L54-R56 PolarHBondContact O-N 3.02Å
57Q96.1Very high95Very high88 Ų8866 Ų6641%0.41130%0.297SS..SBendtrans-93.5126179.6-58.9168.854.600109.7Q53 L54 L55 R59 Y60 K61Q53-Q57 PolarHBondContact O-NE2 3.43Å; L54-Q57 WeakPolarHBondContact O-CB 3.18Å; L54-Q57 PolarHBondContact O-N 3.23Å; L55-Q57 PolarHBondContact O-N 3.32Å; Q57-R59 HydrophobicContact CB-CG 4.27Å; Q57-R59 PolarHBondContact O-N 2.89Å; Q57-Y60 HydrophobicContact CB-CD2 3.97Å; Q57-Y60 PolarHBondContact O-N 3.43Å; Q57-K61 PolarHBondContact O-N 3.05Å; Q57-K61 VanDerWaalsContact O-N 3.14Å
58E92.4Very high94Very high137 Ų13764.3 Ų64.364%0.6429%0.289SS*.Hα-helixtrans-54.4-30.7-177.5-71-61.9155.500113.3Y60 K61 R62E58-Y60 VanDerWaalsContact C-N 3.29Å; E58-Y60 PolarHBondContact O-N 3.34Å; E58-K61 PolarHBondContact O-N 2.99Å; E58-R62 PolarHBondContact O-N 3.29Å
59R93.7Very high92.5Very high104 Ų10465.4 Ų65.439%0.39231%0.306SS..Hα-helixtrans-60.8-34.517873179.5-75.8-157.9-0.8113.5E35 Q57 R62 F63E35-R59 IonicContact OE1-CZ 3.94Å; E35-R59 IonicContact OE1-NE 2.83Å; E35-R59 PolarHBondContact OE1-NE 3.28Å; E35-R59 IonicContact OE1-NH2 3.84Å; E35-R59 PolarHBondContact OE1-NH2 3.15Å; Q57-R59 HydrophobicContact CB-CG 4.27Å; Q57-R59 PolarHBondContact O-N 2.89Å; R59-R62 VanDerWaalsContact O-CG 3.3Å; R59-R62 WeakPolarHBondContact O-CG 3.49Å; R59-R62 PolarHBondContact O-NE 3.16Å; R59-F63 VanDerWaalsContact O-CD2 3.26Å; R59-F63 WeakPolarHBondContact O-CD2 3.5Å; R59-F63 VanDerWaalsContact O-CE2 3.28Å; R59-F63 WeakPolarHBondContact O-CE2 3.19Å
60Y93.8Very high90.3Very high30 Ų3071 Ų7112%0.11833%0.327CS..Hα-helixtrans-90.3-36.5177.2-65-86.3000111E35 A38 L39 L54 Q57 E58 R62 F63E35-Y60 HydrophobicContact CB-CD1 3.55Å; E35-Y60 HydrophobicContact CB-CE1 3.74Å; E35-Y60 HydrophobicContact CB-CG 4.42Å; E35-Y60 HydrophobicContact CG-CD1 3.6Å; E35-Y60 HydrophobicContact CG-CE1 3.46Å; E35-Y60 VanDerWaalsContact CG-CE1 3.46Å; E35-Y60 HydrophobicContact CG-CG 4.24Å; A38-Y60 HydrophobicContact CB-CE1 3.93Å; L39-Y60 HydrophobicContact CD2-CD1 4.42Å; L39-Y60 HydrophobicContact CG-CD1 4.19Å; L54-Y60 HydrophobicContact CB-CD1 4.31Å; L54-Y60 HydrophobicContact CB-CD2 4.25Å; L54-Y60 HydrophobicContact CB-CG 4.09Å; L54-Y60 HydrophobicContact CD2-CD1 4.29Å; L54-Y60 HydrophobicContact CD2-CD2 4.21Å; L54-Y60 HydrophobicContact CD2-CE1 3.85Å; L54-Y60 HydrophobicContact CD2-CE2 3.78Å; L54-Y60 HydrophobicContact CD2-CG 4.47Å; L54-Y60 WeakPolarHBondContact O-CB 3.17Å; L54-Y60 WeakPolarHBondContact O-CD2 3.19Å; Q57-Y60 HydrophobicContact CB-CD2 3.97Å; Q57-Y60 PolarHBondContact O-N 3.43Å; E58-Y60 VanDerWaalsContact C-N 3.29Å; E58-Y60 PolarHBondContact O-N 3.34Å; Y60-R62 VanDerWaalsContact C-N 3.28Å; Y60-R62 PolarHBondContact O-N 2.92Å; Y60-F63 WeakPolarHBondContact O-CA 3.33Å; Y60-F63 PolarHBondContact O-N 3.47Å
61K93.7Very high88.8Confident79 Ų7971.6 Ų71.634%0.34334%0.343SS..Hα-helixtrans-56.7-38.4-176.5-169.2174.9179.6179.80113.2Q57 E58 F63 I64Q57-K61 PolarHBondContact O-N 3.05Å; Q57-K61 VanDerWaalsContact O-N 3.14Å; E58-K61 PolarHBondContact O-N 2.99Å; K61-F63 PolarHBondContact O-N 2.58Å; K61-F63 VanDerWaalsContact O-N 3.09Å; K61-I64 WeakPolarHBondContact O-CB 3.47Å; K61-I64 WeakPolarHBondContact O-CG2 3.09Å; K61-I64 PolarHBondContact O-N 3.44Å; K61-I64 VanDerWaalsContact O-N 3.09Å
62R92.6Very high87.2Confident153 Ų15374.6 Ų74.658%0.57736%0.362SS*.THydrogen-bonded Turntrans-57.7-21.6173.860.6-179.1155.1178.8-3.8114.3E58 R59 Y60E58-R62 PolarHBondContact O-N 3.29Å; R59-R62 VanDerWaalsContact O-CG 3.3Å; R59-R62 WeakPolarHBondContact O-CG 3.49Å; R59-R62 PolarHBondContact O-NE 3.16Å; Y60-R62 VanDerWaalsContact C-N 3.28Å; Y60-R62 PolarHBondContact O-N 2.92Å
63F92.9Very high86Confident14 Ų1475 Ų756%0.06137%0.365CS..THydrogen-bonded Turntrans-100.54.5179.7-58.2-59.8000114.2D32 E35 K36 L39 R59 Y60 K61 N65 S66D32-F63 HydrophobicContact CB-CE1 4.11Å; D32-F63 HydrophobicContact CB-CZ 3.85Å; D32-F63 WeakPolarHBondContact OD1-CZ 3.35Å; D32-F63 WeakPolarHBondContact OD2-CZ 3.28Å; E35-F63 HydrophobicContact CB-CD2 3.69Å; E35-F63 HydrophobicContact CB-CE2 4.02Å; E35-F63 HydrophobicContact CG-CD2 4.46Å; E35-F63 HydrophobicContact CG-CE2 4.44Å; K36-F63 HydrophobicContact CD-CD1 4.34Å; K36-F63 HydrophobicContact CG-CB 3.92Å; K36-F63 HydrophobicContact CG-CD1 4.09Å; K36-F63 HydrophobicContact CG-CG 3.98Å; L39-F63 HydrophobicContact CD1-CB 4.17Å; R59-F63 VanDerWaalsContact O-CD2 3.26Å; R59-F63 WeakPolarHBondContact O-CD2 3.5Å; R59-F63 VanDerWaalsContact O-CE2 3.28Å; R59-F63 WeakPolarHBondContact O-CE2 3.19Å; Y60-F63 WeakPolarHBondContact O-CA 3.33Å; Y60-F63 PolarHBondContact O-N 3.47Å; K61-F63 PolarHBondContact O-N 2.58Å; K61-F63 VanDerWaalsContact O-N 3.09Å; F63-N65 PolarHBondContact O-N 2.99Å; F63-N65 VanDerWaalsContact O-N 3.1Å; F63-S66 WeakPolarHBondContact CD1-OG 3.43Å; F63-S66 VanDerWaalsContact O-CB 3.32Å; F63-S66 WeakPolarHBondContact O-CB 3.26Å; F63-S66 PolarHBondContact O-N 3.32Å
64I94.2Very high85.2Confident8 Ų871.7 Ų71.74%0.04135%0.351CS..THydrogen-bonded Turntrans-56.6-31.3-178.7-163.9173.1000113.4L55 K61 P76 L92 H95 A97L55-I64 HydrophobicContact CD1-CD1 4.28Å; L55-I64 HydrophobicContact CD2-CB 4.15Å; L55-I64 HydrophobicContact CD2-CD1 3.97Å; L55-I64 HydrophobicContact CD2-CG1 3.98Å; K61-I64 WeakPolarHBondContact O-CB 3.47Å; K61-I64 WeakPolarHBondContact O-CG2 3.09Å; K61-I64 PolarHBondContact O-N 3.44Å; K61-I64 VanDerWaalsContact O-N 3.09Å; I64-P76 WeakPolarHBondContact O-CD 3.17Å; I64-L92 HydrophobicContact CD1-CD2 4.27Å; I64-L92 WeakPolarHBondContact CD1-O 3.29Å; I64-L92 HydrophobicContact CG1-CD2 3.91Å; I64-H95 HydrophobicContact CD1-CB 3.68Å; I64-A97 HydrophobicContact CD1-CB 3.96Å; I64-A97 HydrophobicContact CG1-CB 4.03Å
65N93.1Very high85Confident68 Ų6871 Ų7136%0.36435%0.348SS..THydrogen-bonded Turntrans-105.65.9178-64.8-37.8000112.9F63 A97 D98F63-N65 PolarHBondContact O-N 2.99Å; F63-N65 VanDerWaalsContact O-N 3.1Å; N65-A97 WeakPolarHBondContact OD1-CA 3.43Å; N65-D98 PolarHBondContact OD1-N 3.47Å
66S89.5Confident84.9Confident31 Ų3171 Ų7122%0.21735%0.348CS..  trans-73.5137179.7-75.50000110.9F63F63-S66 WeakPolarHBondContact CD1-OG 3.43Å; F63-S66 VanDerWaalsContact O-CB 3.32Å; F63-S66 WeakPolarHBondContact O-CB 3.26Å; F63-S66 PolarHBondContact O-N 3.32Å
67R85.3Confident84.9Confident103 Ų10364.5 Ų64.539%0.38932%0.323SS..  trans-87.5130.3179.4-56.8-178.264.4152.61109P73 G74 T75 L102R67-P73 HydrophobicContact CB-CB 3.91Å; R67-P73 PolarHBondContact NE-O 3.4Å; R67-P73 PolarHBondContact NH2-O 3.3Å; R67-G74 WeakPolarHBondContact CA-O 3.41Å; R67-T75 HydrophobicContact CG-CG2 4.26Å; R67-L102 PolarHBondContact NH1-O 3.35Å
68S77.6Confident84.9Confident24 Ų2462.1 Ų62.117%0.16831%0.311CS..BIsolated β-bridgetrans-149.1167.7-175.4460000111.8N40 G74N40-S68 PolarHBondContact ND2-OG 2.92Å; S68-G74 PolarHBondContact N-O 2.92Å; S68-G74 PolarHBondContact O-N 3.49Å; S68-G74 VanDerWaalsContact O-N 3.16Å
69G65.5Low85Confident59 Ų5957.6 Ų57.661%0.60829%0.291SS*.SBendtrans109.3150.7-178.800000114.4
70W52.8Low85.1Confident273 Ų27352.7 Ų52.7100%1.03427%0.272SS*.SBendtrans-81.3110.4170.2-88.287.6000109.3
71G66.6Low85.3Confident67 Ų6751.2 Ų51.269%0.69127%0.267SS*.SBendtrans130.3-123.1-178.300000112.4P73G71-P73 WeakPolarHBondContact O-CD 3.28Å
72V64.3Low85.4Confident63 Ų6348.8 Ų48.838%0.38226%0.26SS..SBendtrans-84.8106.9172.7176.60000108.4G74 D103 V104V72-G74 PolarHBondContact O-N 2.93Å; V72-D103 HydrophobicContact CG1-CB 4.36Å; V72-D103 WeakPolarHBondContact CG1-OD2 3.28Å; V72-V104 HydrophobicContact CG1-CG2 3.77Å; V72-V104 HydrophobicContact CG2-CG2 4.36Å
73P72.8Confident85.6Confident40 Ų4046.5 Ų46.526%0.2625%0.252SS..  trans-61.8123.3-177.3-20.333.3000110.2R67 G71 V104R67-P73 HydrophobicContact CB-CB 3.91Å; R67-P73 PolarHBondContact NE-O 3.4Å; R67-P73 PolarHBondContact NH2-O 3.3Å; G71-P73 WeakPolarHBondContact O-CD 3.28Å; P73-V104 HydrophobicContact CG-CG1 4.41Å
74G81.1Confident85.8Confident4 Ų447 Ų474%0.04126%0.26CS..BIsolated β-bridgetrans-120.4156.2-179.200000112.1R67 S68 V72R67-G74 WeakPolarHBondContact CA-O 3.41Å; S68-G74 PolarHBondContact N-O 2.92Å; S68-G74 PolarHBondContact O-N 3.49Å; S68-G74 VanDerWaalsContact O-N 3.16Å; V72-G74 PolarHBondContact O-N 2.93Å
75T92.7Very high86Confident7 Ų748.1 Ų48.14%0.04327%0.265CS..  trans-80.9156.516756.50000109.7R67 L77 R78 L79 S101R67-T75 HydrophobicContact CG-CG2 4.26Å; T75-L77 PolarHBondContact O-N 2.99Å; T75-R78 PolarHBondContact O-N 2.92Å; T75-R78 VanDerWaalsContact O-N 3.08Å; T75-R78 PolarHBondContact OG1-N 3.25Å; T75-L79 PolarHBondContact O-N 2.96Å; T75-S101 PolarHBondContact OG1-OG 3.34Å
76P95.2Very high86.3Confident2 Ų247.2 Ų47.21%0.01326%0.26CS..Hα-helixtrans-49.3-39.1169.9-28.533.3000112.9L39 V43 I64 L79 A80 L92L39-P76 HydrophobicContact CB-CG 4.39Å; V43-P76 HydrophobicContact CG2-CB 4.18Å; I64-P76 WeakPolarHBondContact O-CD 3.17Å; P76-L79 PolarHBondContact O-N 2.97Å; P76-A80 PolarHBondContact O-N 3.45Å; P76-L92 HydrophobicContact CB-CD1 4Å; P76-L92 HydrophobicContact CB-CD2 3.75Å
77L97.6Very high86.7Confident0 Ų048.6 Ų48.60%027%0.27CS..Hα-helixtrans-63.2-44.5178.3-175.367.6000112.3T75 L79 A80 A81 L89 L92 L93 A97 D98 P109 L125T75-L77 PolarHBondContact O-N 2.99Å; L77-L79 VanDerWaalsContact C-N 3.34Å; L77-A80 PolarHBondContact O-N 3.29Å; L77-A81 WeakPolarHBondContact O-CB 3.47Å; L77-A81 PolarHBondContact O-N 3.49Å; L77-L89 HydrophobicContact CD1-CD1 4.3Å; L77-L89 HydrophobicContact CD1-CG 3.86Å; L77-L92 HydrophobicContact CB-CD1 4.47Å; L77-L92 HydrophobicContact CD1-CB 3.99Å; L77-L93 HydrophobicContact CD1-CD2 3.92Å; L77-L93 HydrophobicContact CD1-CG 3.85Å; L77-L93 HydrophobicContact CD2-CD2 3.91Å; L77-A97 HydrophobicContact CB-CB 4.13Å; L77-A97 HydrophobicContact CD1-CB 4.43Å; L77-A97 HydrophobicContact CD2-CB 4.04Å; L77-A97 HydrophobicContact CG-CB 4.43Å; L77-D98 WeakPolarHBondContact CD2-O 3.22Å; L77-P109 HydrophobicContact CD2-CB 4.3Å; L77-P109 HydrophobicContact CD2-CG 3.94Å; L77-P109 HydrophobicContact CG-CB 4.21Å; L77-P109 HydrophobicContact CG-CG 4.16Å; L77-L125 HydrophobicContact CD1-CD2 4.46Å; L77-L125 HydrophobicContact CD2-CD2 4.41Å
78R94.9Very high87.3Confident39 Ų3943.7 Ų43.715%0.14725%0.251CS..Hα-helixtrans-63.3-40.7174.5176.8-167146.3113.6-9.9111.6T75 A81 S82 D103 T112T75-R78 PolarHBondContact O-N 2.92Å; T75-R78 VanDerWaalsContact O-N 3.08Å; T75-R78 PolarHBondContact OG1-N 3.25Å; R78-A81 PolarHBondContact O-N 3.46Å; R78-S82 WeakPolarHBondContact O-CB 3.24Å; R78-S82 PolarHBondContact O-N 3.32Å; R78-D103 IonicContact CZ-OD2 3.79Å; R78-D103 IonicContact NH1-OD2 3.81Å; R78-D103 PolarHBondContact NH1-OD2 3.19Å; R78-D103 IonicContact NH2-OD2 3.17Å; R78-T112 HydrophobicContact CG-CG2 4.31Å
79L94.5Very high88.3Confident42 Ų4242.5 Ų42.522%0.2224%0.243CC..Hα-helixtrans-60.8-48176.9-72.4172.7000110.7N40 V43 T75 P76 L77 A81 S82 Y83N40-L79 HydrophobicContact CB-CD1 3.97Å; N40-L79 WeakPolarHBondContact OD1-CD1 3.19Å; V43-L79 HydrophobicContact CG1-CB 3.87Å; T75-L79 PolarHBondContact O-N 2.96Å; P76-L79 PolarHBondContact O-N 2.97Å; L77-L79 VanDerWaalsContact C-N 3.34Å; L79-A81 VanDerWaalsContact C-N 3.28Å; L79-A81 PolarHBondContact O-N 3.13Å; L79-S82 WeakPolarHBondContact O-CB 3.47Å; L79-S82 PolarHBondContact O-N 3.25Å; L79-S82 VanDerWaalsContact O-N 3.07Å; L79-Y83 HydrophobicContact CD2-CE2 4.31Å; L79-Y83 WeakPolarHBondContact O-CD2 3.38Å; L79-Y83 PolarHBondContact O-N 3.32Å
80A97.4Very high89.9Confident0 Ų044.2 Ų44.20%024%0.235CC..Hα-helixtrans-58.6-42175.700000111.6V43 P76 L77 S82 Y83 G84 H85 C88 L89 L92V43-A80 HydrophobicContact CG1-CB 3.79Å; P76-A80 PolarHBondContact O-N 3.45Å; L77-A80 PolarHBondContact O-N 3.29Å; A80-S82 PolarHBondContact O-N 3.04Å; A80-Y83 PolarHBondContact O-N 3.48Å; A80-G84 PolarHBondContact O-N 3.39Å; A80-H85 HydrophobicContact CB-CB 4.39Å; A80-H85 PolarHBondContact O-N 2.79Å; A80-C88 HydrophobicContact CB-CB 4.21Å; A80-L89 HydrophobicContact CB-CB 3.98Å; A80-L92 HydrophobicContact CB-CD1 4.07Å
81A97.6Very high92.1Very high0 Ų032.4 Ų32.40%019%0.193CC..Hα-helixtrans-64.7-35.1175.100000113.2L77 R78 L79 L89 P109 A113 H118 L125L77-A81 WeakPolarHBondContact O-CB 3.47Å; L77-A81 PolarHBondContact O-N 3.49Å; R78-A81 PolarHBondContact O-N 3.46Å; L79-A81 VanDerWaalsContact C-N 3.28Å; L79-A81 PolarHBondContact O-N 3.13Å; A81-L89 HydrophobicContact CB-CD1 3.89Å; A81-P109 HydrophobicContact CB-CB 4.19Å; A81-A113 HydrophobicContact CB-CB 4.23Å; A81-H118 PolarHBondContact O-CD2 2.99Å; A81-L125 HydrophobicContact CB-CD1 4.37Å
82S95.5Very high93.6Very high28 Ų2829.2 Ų29.220%0.19616%0.16CC..Hα-helixtrans-70.3-38.6178.6-163.90000112.7R78 L79 A80 H116 H118R78-S82 WeakPolarHBondContact O-CB 3.24Å; R78-S82 PolarHBondContact O-N 3.32Å; L79-S82 WeakPolarHBondContact O-CB 3.47Å; L79-S82 PolarHBondContact O-N 3.25Å; L79-S82 VanDerWaalsContact O-N 3.07Å; A80-S82 PolarHBondContact O-N 3.04Å; S82-H116 PolarHBondContact OG-CE1 3.32Å; S82-H118 PolarHBondContact O-NE2 2.94Å
83Y96Very high95.2Very high105 Ų10527.6 Ų27.641%0.41215%0.149SC..Hα-helixtrans-90.3-8.3-179.4-66.2-64.5000113.9Y44 L79 A80 H85Y44-Y83 AromaticContact CD2-CE2 3.92Å; Y44-Y83 HydrophobicContact CD2-CE2 3.92Å; Y44-Y83 AromaticContact CD2-CZ 3.83Å; Y44-Y83 AromaticContact CE2-CZ 3.95Å; Y44-Y83 WeakPolarHBondContact CE2-OH 3.28Å; L79-Y83 HydrophobicContact CD2-CE2 4.31Å; L79-Y83 WeakPolarHBondContact O-CD2 3.38Å; L79-Y83 PolarHBondContact O-N 3.32Å; A80-Y83 PolarHBondContact O-N 3.48Å; Y83-H85 VanDerWaalsContact C-N 3.34Å; Y83-H85 VanDerWaalsContact CB-CD2 3.41Å; Y83-H85 WeakPolarHBondContact CB-CD2 3.39Å; Y83-H85 WeakPolarHBondContact CB-NE2 3.19Å; Y83-H85 AromaticContact CG-NE2 3.83Å
84G97.8Very high96.4Very high23 Ų2329.9 Ų29.924%0.23717%0.171CC..THydrogen-bonded Turntrans75.624-177.900000113.2A80 L86 H118A80-G84 PolarHBondContact O-N 3.39Å; G84-L86 VanDerWaalsContact C-N 3.3Å; G84-L86 PolarHBondContact O-N 3.03Å; G84-H118 VanDerWaalsContact CA-CG 3.45Å; G84-H118 PolarHBondContact N-CD2 3.38Å; G84-H118 PolarHBondContact N-NE2 3.34Å
85H98.4Very high97.2Very high32 Ų3231.5 Ų31.515%0.14818%0.178CC..  trans-80.676.1-177.9-66.2-19.3000110.9V43 N46 A80 Y83 S87 C88 L89V43-H85 PolarHBondContact O-CD2 3.16Å; N46-H85 VanDerWaalsContact OD1-CB 3.22Å; N46-H85 WeakPolarHBondContact OD1-CB 3.32Å; N46-H85 VanDerWaalsContact OD1-CG 3.29Å; N46-H85 PolarHBondContact OD1-ND1 3.28Å; A80-H85 HydrophobicContact CB-CB 4.39Å; A80-H85 PolarHBondContact O-N 2.79Å; Y83-H85 VanDerWaalsContact C-N 3.34Å; Y83-H85 VanDerWaalsContact CB-CD2 3.41Å; Y83-H85 WeakPolarHBondContact CB-CD2 3.39Å; Y83-H85 WeakPolarHBondContact CB-NE2 3.19Å; Y83-H85 AromaticContact CG-NE2 3.83Å; H85-S87 PolarHBondContact O-N 3.41Å; H85-C88 HydrophobicContact CB-CB 4.08Å; H85-C88 PolarHBondContact O-N 2.61Å; H85-L89 WeakPolarHBondContact O-CB 3.38Å; H85-L89 PolarHBondContact O-N 2.85Å
86L98.6Very high97.4Very high50 Ų5033.4 Ų33.426%0.26220%0.199SC..Hα-helixtrans-52.7-47.5-174.2-176.664.9000113.2G84 C88 L89 Q90 D120 V124G84-L86 VanDerWaalsContact C-N 3.3Å; G84-L86 PolarHBondContact O-N 3.03Å; L86-C88 PolarHBondContact O-N 2.74Å; L86-L89 WeakPolarHBondContact O-CB 3.39Å; L86-L89 PolarHBondContact O-N 3.14Å; L86-Q90 WeakPolarHBondContact O-CG 3.37Å; L86-Q90 PolarHBondContact O-N 3.35Å; L86-D120 HydrophobicContact CD1-CB 4.05Å; L86-D120 HydrophobicContact CD2-CB 3.84Å; L86-D120 HydrophobicContact CG-CB 4.5Å; L86-V124 HydrophobicContact CD1-CB 4.26Å; L86-V124 HydrophobicContact CD1-CG2 3.65Å
87S98.6Very high97.5Very high59 Ų5933.7 Ų33.741%0.41320%0.201SC..Hα-helixtrans-63.7-43.1-178.5-52.60000111.9H85 L89 Q90 V91H85-S87 PolarHBondContact O-N 3.41Å; S87-L89 VanDerWaalsContact C-N 3.34Å; S87-Q90 PolarHBondContact O-N 3.45Å; S87-V91 WeakPolarHBondContact O-CG2 3.5Å; S87-V91 PolarHBondContact O-N 3.12Å
88C98.5Very high97.5Very high0 Ų037.6 Ų37.60%022%0.223CC..Hα-helixtrans-63.6-41.5174.7-66.80000111.4L51 A80 H85 L86 V91 L92L51-C88 HydrophobicContact CD2-CB 3.73Å; A80-C88 HydrophobicContact CB-CB 4.21Å; H85-C88 HydrophobicContact CB-CB 4.08Å; H85-C88 PolarHBondContact O-N 2.61Å; L86-C88 PolarHBondContact O-N 2.74Å; C88-V91 PolarHBondContact O-N 3.41Å; C88-L92 WeakPolarHBondContact O-CB 3.23Å; C88-L92 WeakPolarHBondContact O-CD1 3.47Å; C88-L92 VanDerWaalsContact O-CG 3.24Å; C88-L92 WeakPolarHBondContact O-CG 3.43Å; C88-L92 PolarHBondContact O-N 3.05Å
89L98.4Very high97.6Very high0 Ų036.9 Ų36.90%022%0.222CC..Hα-helixtrans-61.1-45.4177.5-175.1138.7000111.6L77 A80 A81 H85 L86 S87 L92 L93 C121 V124 L125L77-L89 HydrophobicContact CD1-CD1 4.3Å; L77-L89 HydrophobicContact CD1-CG 3.86Å; A80-L89 HydrophobicContact CB-CB 3.98Å; A81-L89 HydrophobicContact CB-CD1 3.89Å; H85-L89 WeakPolarHBondContact O-CB 3.38Å; H85-L89 PolarHBondContact O-N 2.85Å; L86-L89 WeakPolarHBondContact O-CB 3.39Å; L86-L89 PolarHBondContact O-N 3.14Å; S87-L89 VanDerWaalsContact C-N 3.34Å; L89-L92 PolarHBondContact O-N 3.18Å; L89-L93 HydrophobicContact CD2-CD1 3.6Å; L89-L93 HydrophobicContact CG-CD1 4.29Å; L89-L93 VanDerWaalsContact O-CG 3.28Å; L89-L93 WeakPolarHBondContact O-CG 3.47Å; L89-L93 PolarHBondContact O-N 2.87Å; L89-C121 HydrophobicContact CD1-CB 4.05Å; L89-V124 HydrophobicContact CD2-CB 3.9Å; L89-V124 HydrophobicContact CD2-CG1 3.48Å; L89-V124 VanDerWaalsContact CD2-CG1 3.48Å; L89-L125 HydrophobicContact CD1-CD1 4.13Å; L89-L125 HydrophobicContact CD1-CD2 4.2Å; L89-L125 HydrophobicContact CD1-CG 4.12Å; L89-L125 HydrophobicContact CD2-CD2 4.33Å; L89-L125 HydrophobicContact CD2-CG 4.21Å; L89-L125 HydrophobicContact CG-CD2 4.49Å
90Q98.6Very high97.7Very high94 Ų9436.9 Ų36.944%0.43922%0.223SC..Hα-helixtrans-61.6-44.3175.2-74.5175.9-18.800112.4L86 S87 L93 A94 V124L86-Q90 WeakPolarHBondContact O-CG 3.37Å; L86-Q90 PolarHBondContact O-N 3.35Å; S87-Q90 PolarHBondContact O-N 3.45Å; Q90-L93 PolarHBondContact O-N 3.27Å; Q90-A94 WeakPolarHBondContact O-CB 3.35Å; Q90-A94 PolarHBondContact O-N 2.9Å; Q90-V124 HydrophobicContact CG-CG1 3.91Å; Q90-V124 HydrophobicContact CG-CG2 4.31Å
91V98.5Very high97.5Very high25 Ų2537.6 Ų37.615%0.15223%0.227CC..Hα-helixtrans-60-46.6176167.70000110.8L51 D52 L55 S87 C88 L93 A94 H95L51-V91 HydrophobicContact CD2-CG1 4.31Å; L51-V91 HydrophobicContact CG-CG1 4.16Å; D52-V91 HydrophobicContact CB-CG1 3.76Å; D52-V91 HydrophobicContact CB-CG2 4.3Å; L55-V91 HydrophobicContact CD1-CG1 4.07Å; S87-V91 WeakPolarHBondContact O-CG2 3.5Å; S87-V91 PolarHBondContact O-N 3.12Å; C88-V91 PolarHBondContact O-N 3.41Å; V91-L93 PolarHBondContact O-N 3.34Å; V91-A94 PolarHBondContact O-N 3.12Å; V91-H95 PolarHBondContact O-CD2 3.49Å; V91-H95 VanDerWaalsContact O-CD2 3.25Å; V91-H95 PolarHBondContact O-N 3.49Å; V91-H95 VanDerWaalsContact O-N 3.07Å
92L98.5Very high97.3Very high0 Ų040.6 Ų40.60%024%0.243CC..Hα-helixtrans-60.9-45179.6-73.6162.7000112.1V43 L51 L55 I64 P76 L77 A80 C88 L89 H95 G96 A97V43-L92 HydrophobicContact CG2-CD1 3.98Å; L51-L92 HydrophobicContact CD1-CD2 4.37Å; L51-L92 HydrophobicContact CD2-CD1 4.15Å; L51-L92 HydrophobicContact CD2-CD2 4.28Å; L51-L92 HydrophobicContact CD2-CG 3.89Å; L55-L92 HydrophobicContact CD1-CD2 3.85Å; I64-L92 HydrophobicContact CD1-CD2 4.27Å; I64-L92 WeakPolarHBondContact CD1-O 3.29Å; I64-L92 HydrophobicContact CG1-CD2 3.91Å; P76-L92 HydrophobicContact CB-CD1 4Å; P76-L92 HydrophobicContact CB-CD2 3.75Å; L77-L92 HydrophobicContact CB-CD1 4.47Å; L77-L92 HydrophobicContact CD1-CB 3.99Å; A80-L92 HydrophobicContact CB-CD1 4.07Å; C88-L92 WeakPolarHBondContact O-CB 3.23Å; C88-L92 WeakPolarHBondContact O-CD1 3.47Å; C88-L92 VanDerWaalsContact O-CG 3.24Å; C88-L92 WeakPolarHBondContact O-CG 3.43Å; C88-L92 PolarHBondContact O-N 3.05Å; L89-L92 PolarHBondContact O-N 3.18Å; L92-H95 PolarHBondContact O-N 3.41Å; L92-G96 PolarHBondContact O-N 3.22Å; L92-A97 HydrophobicContact CB-CB 3.99Å; L92-A97 WeakPolarHBondContact O-CB 3.48Å; L92-A97 PolarHBondContact O-N 3.17Å
93L98.4Very high96.9Very high30 Ų3039.7 Ų39.716%0.15724%0.236CC..Hα-helixtrans-63.2-42.3176.3-67.8168.4000111.7L77 L89 Q90 V91 H95 G96 V99 V124 L125 A128L77-L93 HydrophobicContact CD1-CD2 3.92Å; L77-L93 HydrophobicContact CD1-CG 3.85Å; L77-L93 HydrophobicContact CD2-CD2 3.91Å; L89-L93 HydrophobicContact CD2-CD1 3.6Å; L89-L93 HydrophobicContact CG-CD1 4.29Å; L89-L93 VanDerWaalsContact O-CG 3.28Å; L89-L93 WeakPolarHBondContact O-CG 3.47Å; L89-L93 PolarHBondContact O-N 2.87Å; Q90-L93 PolarHBondContact O-N 3.27Å; V91-L93 PolarHBondContact O-N 3.34Å; L93-H95 PolarHBondContact O-N 3.22Å; L93-G96 PolarHBondContact O-N 3.33Å; L93-V99 HydrophobicContact CD2-CB 4.42Å; L93-V99 HydrophobicContact CD2-CG1 4.41Å; L93-V99 HydrophobicContact CD2-CG2 3.66Å; L93-V124 HydrophobicContact CD1-CG1 3.6Å; L93-L125 HydrophobicContact CD1-CD2 4.37Å; L93-L125 HydrophobicContact CD2-CD2 4.48Å; L93-A128 HydrophobicContact CD1-CB 3.94Å; L93-A128 HydrophobicContact CD2-CB 4.09Å
94A98.2Very high96.5Very high87 Ų8739.1 Ų39.172%0.71924%0.243SC*.Hα-helixtrans-61.9-30.2177.500000113.1Q90 V91Q90-A94 WeakPolarHBondContact O-CB 3.35Å; Q90-A94 PolarHBondContact O-N 2.9Å; V91-A94 PolarHBondContact O-N 3.12Å
95H97.9Very high95.9Very high38 Ų3844.2 Ų44.218%0.17626%0.259CS..THydrogen-bonded Turntrans-89.14176-77.3-77.4000114.2D52 L55 I64 V91 L92 L93D52-H95 IonicContact OD1-CD2 3.18Å; D52-H95 IonicContact OD1-CE1 3.75Å; D52-H95 IonicContact OD1-NE2 2.8Å; D52-H95 PolarHBondContact OD1-NE2 2.95Å; L55-H95 HydrophobicContact CB-CB 4.24Å; L55-H95 HydrophobicContact CD1-CB 4.11Å; I64-H95 HydrophobicContact CD1-CB 3.68Å; V91-H95 PolarHBondContact O-CD2 3.49Å; V91-H95 VanDerWaalsContact O-CD2 3.25Å; V91-H95 PolarHBondContact O-N 3.49Å; V91-H95 VanDerWaalsContact O-N 3.07Å; L92-H95 PolarHBondContact O-N 3.41Å; L93-H95 PolarHBondContact O-N 3.22Å
96G96.4Very high95.6Very high48 Ų4843.4 Ų43.450%0.49526%0.258SS..THydrogen-bonded Turntrans90.930.4173.600000115L92 L93L92-G96 PolarHBondContact O-N 3.22Å; L93-G96 PolarHBondContact O-N 3.33Å
97A97.6Very high95.3Very high7 Ų742.9 Ų42.96%0.05825%0.254CS..  trans-61.1140.616900000111.1I64 N65 L77 L92 V99I64-A97 HydrophobicContact CD1-CB 3.96Å; I64-A97 HydrophobicContact CG1-CB 4.03Å; N65-A97 WeakPolarHBondContact OD1-CA 3.43Å; L77-A97 HydrophobicContact CB-CB 4.13Å; L77-A97 HydrophobicContact CD1-CB 4.43Å; L77-A97 HydrophobicContact CD2-CB 4.04Å; L77-A97 HydrophobicContact CG-CB 4.43Å; L92-A97 HydrophobicContact CB-CB 3.99Å; L92-A97 WeakPolarHBondContact O-CB 3.48Å; L92-A97 PolarHBondContact O-N 3.17Å; A97-V99 PolarHBondContact O-N 2.99Å
98D97Very high95.2Very high83 Ų8340.1 Ų40.144%0.44424%0.235SC..  trans-72.6108.1178.8178.515.5000110.7N65 L77 D100 S101N65-D98 PolarHBondContact OD1-N 3.47Å; L77-D98 WeakPolarHBondContact CD2-O 3.22Å; D98-D100 VanDerWaalsContact C-N 3.28Å; D98-D100 PolarHBondContact O-N 3.27Å; D98-D100 PolarHBondContact OD1-N 3.24Å; D98-S101 WeakPolarHBondContact O-CB 3.44Å; D98-S101 PolarHBondContact O-N 2.89Å; D98-S101 PolarHBondContact O-OG 3.08Å
99V97.6Very high95.1Very high24 Ų2440.1 Ų40.115%0.14524%0.235CC..THydrogen-bonded Turntrans-59.8-36.7-172.6-169.70000112.4L93 A97 P109 L125 A128 A130L93-V99 HydrophobicContact CD2-CB 4.42Å; L93-V99 HydrophobicContact CD2-CG1 4.41Å; L93-V99 HydrophobicContact CD2-CG2 3.66Å; A97-V99 PolarHBondContact O-N 2.99Å; V99-P109 VanDerWaalsContact O-CD 3.28Å; V99-P109 WeakPolarHBondContact O-CD 3.5Å; V99-P109 WeakPolarHBondContact O-CG 3.4Å; V99-L125 HydrophobicContact CG1-CD2 4.22Å; V99-A128 HydrophobicContact CG1-CB 4.32Å; V99-A128 HydrophobicContact CG2-CB 4.27Å; V99-A130 HydrophobicContact CG1-CB 3.59Å
100D96.2Very high95.1Very high42 Ų4240.1 Ų40.123%0.22524%0.235CC..THydrogen-bonded Turntrans-108.123.7-176.7-82.3-38.1000112.8D98 L102 T108 C131D98-D100 VanDerWaalsContact C-N 3.28Å; D98-D100 PolarHBondContact O-N 3.27Å; D98-D100 PolarHBondContact OD1-N 3.24Å; D100-L102 WeakPolarHBondContact O-CD2 3.25Å; D100-L102 PolarHBondContact O-N 3.33Å; D100-T108 HydrophobicContact CB-CG2 4.44Å; D100-C131 PolarHBondContact OD1-N 2.74Å; D100-C131 PolarHBondContact OD2-N 2.99Å; D100-C131 PolarHBondContact OD2-SG 3.33Å
101S93.9Very high95Very high14 Ų1436.3 Ų36.310%0.09822%0.216CC..  trans-53.4129.5176.151.50000112.4T75 D98 P109T75-S101 PolarHBondContact OG1-OG 3.34Å; D98-S101 WeakPolarHBondContact O-CB 3.44Å; D98-S101 PolarHBondContact O-N 2.89Å; D98-S101 PolarHBondContact O-OG 3.08Å; S101-P109 VanDerWaalsContact O-CD 3.29Å; S101-P109 WeakPolarHBondContact O-CD 3.35Å
102L92.3Very high94.9Very high64 Ų6435.2 Ų35.234%0.33521%0.21SC..  trans-93.2138.9-173.2-61.9-175.1000111.8R67 D100 T108 S135 Y137R67-L102 PolarHBondContact NH1-O 3.35Å; D100-L102 WeakPolarHBondContact O-CD2 3.25Å; D100-L102 PolarHBondContact O-N 3.33Å; L102-T108 HydrophobicContact CD2-CG2 3.73Å; L102-S135 WeakPolarHBondContact CD2-OG 3.48Å; L102-Y137 HydrophobicContact CD1-CD2 4.05Å
103D88.3Confident94.9Very high9 Ų935.2 Ų35.25%0.04821%0.21CC..  trans-82.5-172.616892.8-24.2000112.8V72 R78 K105 A106 Q107V72-D103 HydrophobicContact CG1-CB 4.36Å; V72-D103 WeakPolarHBondContact CG1-OD2 3.28Å; R78-D103 IonicContact CZ-OD2 3.79Å; R78-D103 IonicContact NH1-OD2 3.81Å; R78-D103 PolarHBondContact NH1-OD2 3.19Å; R78-D103 IonicContact NH2-OD2 3.17Å; D103-K105 PolarHBondContact O-N 3.19Å; D103-K105 VanDerWaalsContact OD1-CA 3.22Å; D103-K105 WeakPolarHBondContact OD1-CA 3.5Å; D103-K105 WeakPolarHBondContact OD1-CB 3.12Å; D103-K105 PolarHBondContact OD1-N 3.39Å; D103-A106 PolarHBondContact O-N 2.88Å; D103-A106 VanDerWaalsContact O-N 3.08Å; D103-A106 PolarHBondContact OD1-N 3.32Å; D103-Q107 PolarHBondContact N-O 3.32Å; D103-Q107 WeakPolarHBondContact OD1-CB 3.5Å; D103-Q107 PolarHBondContact OD1-N 3.01Å
104V86.9Confident94.9Very high92 Ų9234 Ų3456%0.55820%0.204SC*.THydrogen-bonded Turntrans-70.5-16.1179-57.80000113.4V72 P73V72-V104 HydrophobicContact CG1-CG2 3.77Å; V72-V104 HydrophobicContact CG2-CG2 4.36Å; P73-V104 HydrophobicContact CG-CG1 4.41Å
105K86.1Confident94.8Very high131 Ų13132 Ų3257%0.5719%0.185SC*.THydrogen-bonded Turntrans-100.913.8172.8-61.4-179.5-179.6178.10111.3D103 Q107D103-K105 PolarHBondContact O-N 3.19Å; D103-K105 VanDerWaalsContact OD1-CA 3.22Å; D103-K105 WeakPolarHBondContact OD1-CA 3.5Å; D103-K105 WeakPolarHBondContact OD1-CB 3.12Å; D103-K105 PolarHBondContact OD1-N 3.39Å; K105-Q107 HydrophobicContact CB-CG 4.02Å; K105-Q107 PolarHBondContact O-N 2.95Å
106A91.1Very high94.7Very high14 Ų1434.9 Ų34.912%0.11620%0.198CC..  trans56.727.8-173.800000114.9D103 S135 N138D103-A106 PolarHBondContact O-N 2.88Å; D103-A106 VanDerWaalsContact O-N 3.08Å; D103-A106 PolarHBondContact OD1-N 3.32Å; A106-S135 WeakPolarHBondContact O-CB 2.92Å; A106-S135 PolarHBondContact O-OG 2.66Å; A106-N138 WeakPolarHBondContact O-CB 3.26Å
107Q92.2Very high94.7Very high39 Ų3934.8 Ų34.818%0.18220%0.197CC..  trans-81.9135.4175.2-60.4178.3-19.600110.3D103 K105 F111D103-Q107 PolarHBondContact N-O 3.32Å; D103-Q107 WeakPolarHBondContact OD1-CB 3.5Å; D103-Q107 PolarHBondContact OD1-N 3.01Å; K105-Q107 HydrophobicContact CB-CG 4.02Å; K105-Q107 PolarHBondContact O-N 2.95Å; Q107-F111 HydrophobicContact CB-CB 4.43Å; Q107-F111 HydrophobicContact CB-CD1 3.86Å; Q107-F111 HydrophobicContact CB-CG 4.35Å; Q107-F111 HydrophobicContact CG-CD1 3.71Å; Q107-F111 HydrophobicContact CG-CE1 3.96Å; Q107-F111 HydrophobicContact CG-CG 4.4Å; Q107-F111 VanDerWaalsContact NE2-CE1 3.28Å
108T95.7Very high94.8Very high2 Ų237 Ų371%0.01221%0.205CC..  trans-84.2163.7173.258.80000111.1D100 L102 L110 F111 T112D100-T108 HydrophobicContact CB-CG2 4.44Å; L102-T108 HydrophobicContact CD2-CG2 3.73Å; T108-L110 PolarHBondContact O-N 2.98Å; T108-F111 PolarHBondContact O-N 3.49Å; T108-F111 VanDerWaalsContact O-N 3.16Å; T108-F111 PolarHBondContact OG1-N 2.96Å; T108-T112 PolarHBondContact O-N 2.99Å; T108-T112 VanDerWaalsContact O-N 3.1Å; T108-T112 PolarHBondContact O-OG1 3.38Å
109P97.3Very high94.9Very high0 Ų034.9 Ų34.90%019%0.194CC..Hα-helixtrans-54.1-39.6168.3-26.135.4000111.8L77 A81 V99 S101 F111 T112 A113 L125L77-P109 HydrophobicContact CD2-CB 4.3Å; L77-P109 HydrophobicContact CD2-CG 3.94Å; L77-P109 HydrophobicContact CG-CB 4.21Å; L77-P109 HydrophobicContact CG-CG 4.16Å; A81-P109 HydrophobicContact CB-CB 4.19Å; V99-P109 VanDerWaalsContact O-CD 3.28Å; V99-P109 WeakPolarHBondContact O-CD 3.5Å; V99-P109 WeakPolarHBondContact O-CG 3.4Å; S101-P109 VanDerWaalsContact O-CD 3.29Å; S101-P109 WeakPolarHBondContact O-CD 3.35Å; P109-F111 PolarHBondContact O-N 3.34Å; P109-T112 WeakPolarHBondContact O-CB 3.2Å; P109-T112 PolarHBondContact O-N 2.96Å; P109-T112 VanDerWaalsContact O-N 3.12Å; P109-A113 PolarHBondContact O-N 2.94Å; P109-L125 HydrophobicContact CB-CD1 4.2Å; P109-L125 HydrophobicContact CB-CD2 4.18Å
110L98.4Very high94.9Very high0 Ų038 Ų380%021%0.21CC..Hα-helixtrans-58-49.2175-179.570.2000111.6T108 T112 A113 V114 V122 L125 L126 A130 C131 P142 L158T108-L110 PolarHBondContact O-N 2.98Å; L110-T112 PolarHBondContact O-N 3.49Å; L110-A113 PolarHBondContact O-N 3.34Å; L110-V114 WeakPolarHBondContact O-CG2 3.46Å; L110-V114 PolarHBondContact O-N 2.85Å; L110-V122 HydrophobicContact CD1-CB 4.44Å; L110-V122 HydrophobicContact CD1-CG1 4.01Å; L110-V122 HydrophobicContact CD1-CG2 4.49Å; L110-L125 HydrophobicContact CB-CD1 4.37Å; L110-L125 HydrophobicContact CD1-CB 4.07Å; L110-L126 HydrophobicContact CD1-CD2 4.09Å; L110-L126 HydrophobicContact CD1-CG 3.94Å; L110-L126 HydrophobicContact CD2-CD2 3.84Å; L110-A130 HydrophobicContact CB-CB 4.14Å; L110-A130 HydrophobicContact CD2-CB 4.15Å; L110-C131 WeakPolarHBondContact CD2-O 3.48Å; L110-P142 HydrophobicContact CD2-CG 4.48Å; L110-L158 HydrophobicContact CD1-CD2 4.44Å; L110-L158 HydrophobicContact CD2-CD2 4.1Å; L110-L158 HydrophobicContact CG-CD2 4.49Å
111F96.9Very high95Very high13 Ų1336.1 Ų36.16%0.05720%0.2CC..Hα-helixtrans-57.9-39.2177-178.4-85.6000111.6Q107 T108 P109 V114 S115 N138 C140 P142 T145Q107-F111 HydrophobicContact CB-CB 4.43Å; Q107-F111 HydrophobicContact CB-CD1 3.86Å; Q107-F111 HydrophobicContact CB-CG 4.35Å; Q107-F111 HydrophobicContact CG-CD1 3.71Å; Q107-F111 HydrophobicContact CG-CE1 3.96Å; Q107-F111 HydrophobicContact CG-CG 4.4Å; Q107-F111 VanDerWaalsContact NE2-CE1 3.28Å; T108-F111 PolarHBondContact O-N 3.49Å; T108-F111 VanDerWaalsContact O-N 3.16Å; T108-F111 PolarHBondContact OG1-N 2.96Å; P109-F111 PolarHBondContact O-N 3.34Å; F111-V114 PolarHBondContact O-N 2.85Å; F111-S115 WeakPolarHBondContact O-CB 3.47Å; F111-S115 PolarHBondContact O-N 3.01Å; F111-S115 PolarHBondContact O-OG 3.34Å; F111-N138 WeakPolarHBondContact CD2-ND2 3.48Å; F111-C140 HydrophobicContact CE2-CB 3.95Å; F111-C140 HydrophobicContact CZ-CB 4.15Å; F111-P142 HydrophobicContact CB-CG 4.43Å; F111-P142 HydrophobicContact CD2-CG 4.19Å; F111-T145 WeakPolarHBondContact CE2-OG1 3.42Å
112T96.3Very high95.3Very high3 Ų335.4 Ų35.42%0.01820%0.195CC..Hα-helixtrans-68.6-42-179.7-56.30000111.8R78 T108 P109 L110 V114 S115 H116R78-T112 HydrophobicContact CG-CG2 4.31Å; T108-T112 PolarHBondContact O-N 2.99Å; T108-T112 VanDerWaalsContact O-N 3.1Å; T108-T112 PolarHBondContact O-OG1 3.38Å; P109-T112 WeakPolarHBondContact O-CB 3.2Å; P109-T112 PolarHBondContact O-N 2.96Å; P109-T112 VanDerWaalsContact O-N 3.12Å; L110-T112 PolarHBondContact O-N 3.49Å; T112-V114 VanDerWaalsContact C-N 3.34Å; T112-S115 PolarHBondContact O-N 2.79Å; T112-S115 PolarHBondContact O-OG 3.11Å; T112-H116 PolarHBondContact O-N 3Å; T112-H116 PolarHBondContact O-ND1 3.39Å
113A98.3Very high95.6Very high0 Ų036.5 Ų36.50%020%0.195CC..Hα-helixtrans-62.3-42.6173.700000111.5A81 P109 L110 H116 G117 H118 C121 V122 L125A81-A113 HydrophobicContact CB-CB 4.23Å; P109-A113 PolarHBondContact O-N 2.94Å; L110-A113 PolarHBondContact O-N 3.34Å; A113-H116 PolarHBondContact O-N 3.05Å; A113-G117 PolarHBondContact O-N 3.35Å; A113-H118 HydrophobicContact CB-CB 4.49Å; A113-H118 PolarHBondContact O-N 3.43Å; A113-C121 HydrophobicContact CB-CB 3.98Å; A113-V122 HydrophobicContact CB-CG2 3.85Å; A113-L125 HydrophobicContact CB-CD1 4.07Å
114V98.1Very high96.1Very high4 Ų437 Ų372%0.02420%0.198CC..Hα-helixtrans-62.9-46.5176.7170.50000111.6L110 F111 T112 H116 G117 V122 P142 T145 A146 I154 L158L110-V114 WeakPolarHBondContact O-CG2 3.46Å; L110-V114 PolarHBondContact O-N 2.85Å; F111-V114 PolarHBondContact O-N 2.85Å; T112-V114 VanDerWaalsContact C-N 3.34Å; V114-H116 PolarHBondContact O-N 3.04Å; V114-G117 PolarHBondContact O-N 3.37Å; V114-G117 VanDerWaalsContact O-N 3.11Å; V114-V122 HydrophobicContact CG2-CG1 4.43Å; V114-V122 HydrophobicContact CG2-CG2 3.59Å; V114-P142 HydrophobicContact CB-CB 4.37Å; V114-P142 HydrophobicContact CG1-CB 4.25Å; V114-P142 WeakPolarHBondContact CG1-O 3.5Å; V114-P142 HydrophobicContact CG2-CB 4.07Å; V114-T145 HydrophobicContact CG1-CG2 4.29Å; V114-A146 HydrophobicContact CG1-CB 4.18Å; V114-I154 HydrophobicContact CB-CG2 4.28Å; V114-I154 HydrophobicContact CG1-CG2 3.97Å; V114-I154 HydrophobicContact CG2-CG2 3.69Å; V114-L158 HydrophobicContact CG2-CD1 4.24Å; V114-L158 HydrophobicContact CG2-CD2 4.38Å
115S95.9Very high96.6Very high45 Ų4532.6 Ų32.632%0.31517%0.172SC..Hα-helixtrans-66.2-19.8-178.470.30000114.1F111 T112F111-S115 WeakPolarHBondContact O-CB 3.47Å; F111-S115 PolarHBondContact O-N 3.01Å; F111-S115 PolarHBondContact O-OG 3.34Å; T112-S115 PolarHBondContact O-N 2.79Å; T112-S115 PolarHBondContact O-OG 3.11Å
116H96.2Very high97.2Very high99 Ų9926.8 Ų26.846%0.45815%0.147SC..THydrogen-bonded Turntrans-104-0.3176.6-65.986.4000113.1S82 T112 A113 V114 H118S82-H116 PolarHBondContact OG-CE1 3.32Å; T112-H116 PolarHBondContact O-N 3Å; T112-H116 PolarHBondContact O-ND1 3.39Å; A113-H116 PolarHBondContact O-N 3.05Å; V114-H116 PolarHBondContact O-N 3.04Å; H116-H118 VanDerWaalsContact CB-CD2 3.44Å; H116-H118 WeakPolarHBondContact CB-CD2 3.27Å; H116-H118 WeakPolarHBondContact CB-NE2 3.42Å
117G97.6Very high97.5Very high45 Ų4533 Ų3346%0.46417%0.173SC..THydrogen-bonded Turntrans78.217.3175.900000115.6A113 V114 L119A113-G117 PolarHBondContact O-N 3.35Å; V114-G117 PolarHBondContact O-N 3.37Å; V114-G117 VanDerWaalsContact O-N 3.11Å; G117-L119 PolarHBondContact O-N 3.4Å
118H98.4Very high97.8Very high53 Ų5333.3 Ų33.325%0.24518%0.182CC..  trans-83.679.6-175.1-61.5-50.9000112.1A81 S82 G84 A113 H116 D120 C121 V122A81-H118 PolarHBondContact O-CD2 2.99Å; S82-H118 PolarHBondContact O-NE2 2.94Å; G84-H118 VanDerWaalsContact CA-CG 3.45Å; G84-H118 PolarHBondContact N-CD2 3.38Å; G84-H118 PolarHBondContact N-NE2 3.34Å; A113-H118 HydrophobicContact CB-CB 4.49Å; A113-H118 PolarHBondContact O-N 3.43Å; H116-H118 VanDerWaalsContact CB-CD2 3.44Å; H116-H118 WeakPolarHBondContact CB-CD2 3.27Å; H116-H118 WeakPolarHBondContact CB-NE2 3.42Å; H118-D120 PolarHBondContact O-N 3.48Å; H118-C121 HydrophobicContact CB-CB 4.01Å; H118-C121 WeakPolarHBondContact O-CB 3.46Å; H118-C121 PolarHBondContact O-N 3.16Å; H118-V122 WeakPolarHBondContact O-CG2 3.41Å; H118-V122 PolarHBondContact O-N 2.9Å
119L98.6Very high97.9Very high40 Ų4035.8 Ų35.821%0.20921%0.209CC..Hα-helixtrans-53.7-45.4-174.817762.6000114G117 C121 V122 R123 A153 I154 E157G117-L119 PolarHBondContact O-N 3.4Å; L119-C121 VanDerWaalsContact C-N 3.32Å; L119-C121 PolarHBondContact O-N 3.34Å; L119-V122 WeakPolarHBondContact O-CB 3.21Å; L119-V122 PolarHBondContact O-N 2.86Å; L119-V122 VanDerWaalsContact O-N 3.11Å; L119-R123 PolarHBondContact O-N 3.18Å; L119-A153 HydrophobicContact CD1-CB 4.09Å; L119-A153 HydrophobicContact CD2-CB 3.73Å; L119-I154 HydrophobicContact CB-CG1 4.18Å; L119-I154 HydrophobicContact CD1-CG1 3.8Å; L119-E157 HydrophobicContact CD1-CG 3.8Å
120D98.6Very high97.9Very high88 Ų8836 Ų3647%0.47121%0.21SC..Hα-helixtrans-67.9-35.5-176.8-60.7-39.3000111.6L86 H118 V122 R123 V124L86-D120 HydrophobicContact CD1-CB 4.05Å; L86-D120 HydrophobicContact CD2-CB 3.84Å; L86-D120 HydrophobicContact CG-CB 4.5Å; H118-D120 PolarHBondContact O-N 3.48Å; D120-V122 VanDerWaalsContact C-N 3.35Å; D120-R123 PolarHBondContact O-N 3.18Å; D120-R123 IonicContact OD1-NH1 2.67Å; D120-R123 PolarHBondContact OD1-NH1 2.84Å; D120-V124 PolarHBondContact O-N 3.08Å; D120-V124 VanDerWaalsContact O-N 3.12Å
121C98.7Very high97.9Very high3 Ų339 Ų392%0.0223%0.231CC..Hα-helixtrans-65.1-39.2171.2-67.10000111.5L89 A113 H118 L119 V124 L125L89-C121 HydrophobicContact CD1-CB 4.05Å; A113-C121 HydrophobicContact CB-CB 3.98Å; H118-C121 HydrophobicContact CB-CB 4.01Å; H118-C121 WeakPolarHBondContact O-CB 3.46Å; H118-C121 PolarHBondContact O-N 3.16Å; L119-C121 VanDerWaalsContact C-N 3.32Å; L119-C121 PolarHBondContact O-N 3.34Å; C121-V124 PolarHBondContact O-N 3.4Å; C121-L125 WeakPolarHBondContact O-CB 3.46Å; C121-L125 WeakPolarHBondContact O-CD1 3.44Å; C121-L125 WeakPolarHBondContact O-CG 3.45Å; C121-L125 PolarHBondContact O-N 3.06Å
122V98.8Very high97.8Very high0 Ų039.8 Ų39.80%024%0.237CC..Hα-helixtrans-59-47.7175.5169.40000110.7L110 A113 V114 H118 L119 D120 L125 L126 I154 E157L110-V122 HydrophobicContact CD1-CB 4.44Å; L110-V122 HydrophobicContact CD1-CG1 4.01Å; L110-V122 HydrophobicContact CD1-CG2 4.49Å; A113-V122 HydrophobicContact CB-CG2 3.85Å; V114-V122 HydrophobicContact CG2-CG1 4.43Å; V114-V122 HydrophobicContact CG2-CG2 3.59Å; H118-V122 WeakPolarHBondContact O-CG2 3.41Å; H118-V122 PolarHBondContact O-N 2.9Å; L119-V122 WeakPolarHBondContact O-CB 3.21Å; L119-V122 PolarHBondContact O-N 2.86Å; L119-V122 VanDerWaalsContact O-N 3.11Å; D120-V122 VanDerWaalsContact C-N 3.35Å; V122-L125 PolarHBondContact O-N 3.12Å; V122-L126 HydrophobicContact CG1-CD1 3.72Å; V122-L126 HydrophobicContact CG1-CG 4.4Å; V122-L126 WeakPolarHBondContact O-CB 3.27Å; V122-L126 VanDerWaalsContact O-CG 3.28Å; V122-L126 WeakPolarHBondContact O-CG 3.15Å; V122-L126 PolarHBondContact O-N 3.02Å; V122-I154 HydrophobicContact CG1-CG2 4.34Å; V122-I154 HydrophobicContact CG2-CD1 4.47Å; V122-I154 HydrophobicContact CG2-CG1 4.49Å; V122-I154 HydrophobicContact CG2-CG2 4.28Å; V122-E157 HydrophobicContact CG1-CB 4.28Å
123R98.7Very high97.7Very high87 Ų8741.3 Ų41.333%0.32825%0.254SS..Hα-helixtrans-57.7-53.4177.9-73.2176174.3150.3-2.5111.9L119 D120 L125 L126 E127 E157L119-R123 PolarHBondContact O-N 3.18Å; D120-R123 PolarHBondContact O-N 3.18Å; D120-R123 IonicContact OD1-NH1 2.67Å; D120-R123 PolarHBondContact OD1-NH1 2.84Å; R123-L125 VanDerWaalsContact C-N 3.3Å; R123-L125 PolarHBondContact O-N 3.28Å; R123-L126 PolarHBondContact O-N 2.95Å; R123-E127 WeakPolarHBondContact O-CB 3.49Å; R123-E127 WeakPolarHBondContact O-CG 2.97Å; R123-E127 PolarHBondContact O-N 3.35Å; R123-E157 HydrophobicContact CG-CG 3.88Å; R123-E157 IonicContact CZ-OE1 2.84Å; R123-E157 IonicContact NE-OE1 3.73Å; R123-E157 PolarHBondContact NE-OE1 3.47Å; R123-E157 IonicContact NH2-OE1 3.49Å; R123-E157 PolarHBondContact NH2-OE1 3.27Å
124V98.6Very high97.4Very high19 Ų1941.9 Ų41.912%0.11526%0.259CS..Hα-helixtrans-62.3-38.5-178.3172.20000111.8L86 L89 Q90 L93 D120 C121 E127 A128L86-V124 HydrophobicContact CD1-CB 4.26Å; L86-V124 HydrophobicContact CD1-CG2 3.65Å; L89-V124 HydrophobicContact CD2-CB 3.9Å; L89-V124 HydrophobicContact CD2-CG1 3.48Å; L89-V124 VanDerWaalsContact CD2-CG1 3.48Å; Q90-V124 HydrophobicContact CG-CG1 3.91Å; Q90-V124 HydrophobicContact CG-CG2 4.31Å; L93-V124 HydrophobicContact CD1-CG1 3.6Å; D120-V124 PolarHBondContact O-N 3.08Å; D120-V124 VanDerWaalsContact O-N 3.12Å; C121-V124 PolarHBondContact O-N 3.4Å; V124-E127 PolarHBondContact O-N 3.1Å; V124-A128 VanDerWaalsContact O-CB 3.26Å; V124-A128 WeakPolarHBondContact O-CB 3.36Å; V124-A128 PolarHBondContact O-N 2.91Å
125L98.7Very high97.2Very high0 Ų042.5 Ų42.50%026%0.264CS..Hα-helixtrans-65.5-42.7176.5-73.1168.4000111.8L77 A81 L89 L93 V99 P109 L110 A113 C121 V122 R123 A128 G129 A130L77-L125 HydrophobicContact CD1-CD2 4.46Å; L77-L125 HydrophobicContact CD2-CD2 4.41Å; A81-L125 HydrophobicContact CB-CD1 4.37Å; L89-L125 HydrophobicContact CD1-CD1 4.13Å; L89-L125 HydrophobicContact CD1-CD2 4.2Å; L89-L125 HydrophobicContact CD1-CG 4.12Å; L89-L125 HydrophobicContact CD2-CD2 4.33Å; L89-L125 HydrophobicContact CD2-CG 4.21Å; L89-L125 HydrophobicContact CG-CD2 4.49Å; L93-L125 HydrophobicContact CD1-CD2 4.37Å; L93-L125 HydrophobicContact CD2-CD2 4.48Å; V99-L125 HydrophobicContact CG1-CD2 4.22Å; P109-L125 HydrophobicContact CB-CD1 4.2Å; P109-L125 HydrophobicContact CB-CD2 4.18Å; L110-L125 HydrophobicContact CB-CD1 4.37Å; L110-L125 HydrophobicContact CD1-CB 4.07Å; A113-L125 HydrophobicContact CB-CD1 4.07Å; C121-L125 WeakPolarHBondContact O-CB 3.46Å; C121-L125 WeakPolarHBondContact O-CD1 3.44Å; C121-L125 WeakPolarHBondContact O-CG 3.45Å; C121-L125 PolarHBondContact O-N 3.06Å; V122-L125 PolarHBondContact O-N 3.12Å; R123-L125 VanDerWaalsContact C-N 3.3Å; R123-L125 PolarHBondContact O-N 3.28Å; L125-A128 CarbonylContact O-C 3.43Å; L125-A128 PolarHBondContact O-N 2.67Å; L125-G129 PolarHBondContact O-N 3.22Å; L125-A130 HydrophobicContact CB-CB 4.12Å; L125-A130 WeakPolarHBondContact O-CB 3.21Å; L125-A130 PolarHBondContact O-N 3.07Å
126L98.6Very high96.9Very high9 Ų946.3 Ų46.35%0.04728%0.279CS..Hα-helixtrans-65.5-42.1176.4-69.7169.3000111.9L110 V122 R123 A128 G129 P132 E157 L158 H161L110-L126 HydrophobicContact CD1-CD2 4.09Å; L110-L126 HydrophobicContact CD1-CG 3.94Å; L110-L126 HydrophobicContact CD2-CD2 3.84Å; V122-L126 HydrophobicContact CG1-CD1 3.72Å; V122-L126 HydrophobicContact CG1-CG 4.4Å; V122-L126 WeakPolarHBondContact O-CB 3.27Å; V122-L126 VanDerWaalsContact O-CG 3.28Å; V122-L126 WeakPolarHBondContact O-CG 3.15Å; V122-L126 PolarHBondContact O-N 3.02Å; R123-L126 PolarHBondContact O-N 2.95Å; L126-A128 VanDerWaalsContact C-N 3.27Å; L126-A128 PolarHBondContact O-N 3.19Å; L126-G129 PolarHBondContact O-N 3.28Å; L126-P132 HydrophobicContact CD2-CB 3.97Å; L126-P132 HydrophobicContact CD2-CG 3.96Å; L126-E157 HydrophobicContact CD1-CB 3.93Å; L126-L158 HydrophobicContact CD1-CD2 4.36Å; L126-L158 HydrophobicContact CD2-CD2 4.42Å; L126-H161 HydrophobicContact CD1-CB 4.35Å; L126-H161 HydrophobicContact CD2-CB 4.06Å
127E98.1Very high96.5Very high144 Ų14449.7 Ų49.767%0.67329%0.289SS*.Hα-helixtrans-62.6-33.8174-72.7171.7-176.800112.3R123 V124 G129R123-E127 WeakPolarHBondContact O-CB 3.49Å; R123-E127 WeakPolarHBondContact O-CG 2.97Å; R123-E127 PolarHBondContact O-N 3.35Å; V124-E127 PolarHBondContact O-N 3.1Å; E127-G129 PolarHBondContact O-N 3.16Å
128A97.8Very high96Very high45 Ų4548.1 Ų48.137%0.37227%0.27SS..THydrogen-bonded Turntrans-76.82173.300000113.7L93 V99 V124 L125 L126L93-A128 HydrophobicContact CD1-CB 3.94Å; L93-A128 HydrophobicContact CD2-CB 4.09Å; V99-A128 HydrophobicContact CG1-CB 4.32Å; V99-A128 HydrophobicContact CG2-CB 4.27Å; V124-A128 VanDerWaalsContact O-CB 3.26Å; V124-A128 WeakPolarHBondContact O-CB 3.36Å; V124-A128 PolarHBondContact O-N 2.91Å; L125-A128 CarbonylContact O-C 3.43Å; L125-A128 PolarHBondContact O-N 2.67Å; L126-A128 VanDerWaalsContact C-N 3.27Å; L126-A128 PolarHBondContact O-N 3.19Å
129G97.2Very high95.3Very high55 Ų5550.4 Ų50.457%0.56728%0.284SS*.THydrogen-bonded Turntrans9117.717500000115.3L125 L126 E127L125-G129 PolarHBondContact O-N 3.22Å; L126-G129 PolarHBondContact O-N 3.28Å; E127-G129 PolarHBondContact O-N 3.16Å
130A97.9Very high94.7Very high4 Ų450.6 Ų50.63%0.03329%0.289CS..  trans-57.1138.5172.900000111.1V99 L110 L125 P132V99-A130 HydrophobicContact CG1-CB 3.59Å; L110-A130 HydrophobicContact CB-CB 4.14Å; L110-A130 HydrophobicContact CD2-CB 4.15Å; L125-A130 HydrophobicContact CB-CB 4.12Å; L125-A130 WeakPolarHBondContact O-CB 3.21Å; L125-A130 PolarHBondContact O-N 3.07Å; A130-P132 WeakPolarHBondContact O-CD 3.22Å; A130-P132 VanDerWaalsContact O-N 3.17Å
131C97.3Very high94.4Very high63 Ų6347 Ų4743%0.42627%0.27SS..  trans-62.5115.4175.3-71.70000111D100 L110 G133 G134D100-C131 PolarHBondContact OD1-N 2.74Å; D100-C131 PolarHBondContact OD2-N 2.99Å; D100-C131 PolarHBondContact OD2-SG 3.33Å; L110-C131 WeakPolarHBondContact CD2-O 3.48Å; C131-G133 VanDerWaalsContact C-N 3.25Å; C131-G133 PolarHBondContact O-N 3.08Å; C131-G134 WeakPolarHBondContact O-CA 3.4Å; C131-G134 PolarHBondContact O-N 2.76Å
132P96Very high94.2Very high30 Ų3046.8 Ų46.820%0.19527%0.269CS..THydrogen-bonded Turntrans-62.5-30.2-175.2-21.531.1000113.8L126 A130 G134 H161 A163L126-P132 HydrophobicContact CD2-CB 3.97Å; L126-P132 HydrophobicContact CD2-CG 3.96Å; A130-P132 WeakPolarHBondContact O-CD 3.22Å; A130-P132 VanDerWaalsContact O-N 3.17Å; P132-G134 PolarHBondContact O-N 3.22Å; P132-H161 HydrophobicContact CB-CB 4.39Å; P132-H161 HydrophobicContact CG-CB 3.89Å; P132-H161 VanDerWaalsContact CG-O 3.25Å; P132-H161 WeakPolarHBondContact CG-O 3.48Å; P132-A163 HydrophobicContact CB-CB 3.71Å
133G93Very high94.1Very high35 Ų3546.8 Ų46.836%0.36127%0.269SS..THydrogen-bonded Turntrans-75-7.3174.500000114.3C131 P142C131-G133 VanDerWaalsContact C-N 3.25Å; C131-G133 PolarHBondContact O-N 3.08Å; G133-P142 VanDerWaalsContact C-CD 3.48Å; G133-P142 WeakPolarHBondContact O-CD 3.22Å
134G93.7Very high93.8Very high12 Ų1242.9 Ų42.912%0.12426%0.255CS..  trans65.9-162.9-169.400000112.6C131 P132C131-G134 WeakPolarHBondContact O-CA 3.4Å; C131-G134 PolarHBondContact O-N 2.76Å; P132-G134 PolarHBondContact O-N 3.22Å
135S92Very high93.6Very high17 Ų1742.3 Ų42.312%0.11925%0.251CS..  trans-72.1136.3-178.4-176.50000113.2L102 A106 Y137 N138L102-S135 WeakPolarHBondContact CD2-OG 3.48Å; A106-S135 WeakPolarHBondContact O-CB 2.92Å; A106-S135 PolarHBondContact O-OG 2.66Å; S135-Y137 PolarHBondContact O-N 3.16Å; S135-Y137 PolarHBondContact OG-N 2.88Å; S135-Y137 VanDerWaalsContact OG-N 3.14Å; S135-N138 PolarHBondContact O-N 3.1Å
136I89.8Confident93.5Very high125 Ų12542.3 Ų42.364%0.64125%0.251SS*.THydrogen-bonded Turntrans-65.6-16.8170.563.2169000113.2K170I136-K170 VanDerWaalsContact C-NZ 3.35Å; I136-K170 PolarHBondContact O-NZ 3.22Å
137Y88.9Confident93.4Very high169 Ų16941.9 Ų41.966%0.66325%0.249SC*.THydrogen-bonded Turntrans-93-13.1178-53.2-67.9000112.8L102 S135L102-Y137 HydrophobicContact CD1-CD2 4.05Å; S135-Y137 PolarHBondContact O-N 3.16Å; S135-Y137 PolarHBondContact OG-N 2.88Å; S135-Y137 VanDerWaalsContact OG-N 3.14Å
138N86.4Confident93.1Very high12 Ų1240 Ų406%0.06424%0.235CC..SBendtrans-75.2143.7172.5-166.42.2000110.1A106 F111 S135 C140 K170A106-N138 WeakPolarHBondContact O-CB 3.26Å; F111-N138 WeakPolarHBondContact CD2-ND2 3.48Å; S135-N138 PolarHBondContact O-N 3.1Å; N138-C140 VanDerWaalsContact C-N 3.32Å; N138-C140 PolarHBondContact ND2-O 3.17Å; N138-C140 PolarHBondContact OD1-N 2.6Å; N138-K170 PolarHBondContact O-NZ 3.34Å
139N83.8Confident93Very high102 Ų10241.4 Ų41.455%0.54524%0.237SC..SBendtrans-79.8-16.3178.3-68.5-27.6000113.2K170N139-K170 HydrophobicContact CB-CB 4.34Å; N139-K170 PolarHBondContact O-N 3.38Å
140C86.6Confident93Very high44 Ų4439.8 Ų39.830%0.29722%0.22SC..SBendtrans-123.6140.1177.6-164.30000110F111 N138F111-C140 HydrophobicContact CE2-CB 3.95Å; F111-C140 HydrophobicContact CZ-CB 4.15Å; N138-C140 VanDerWaalsContact C-N 3.32Å; N138-C140 PolarHBondContact ND2-O 3.17Å; N138-C140 PolarHBondContact OD1-N 2.6Å
141S91Very high92.9Very high11 Ų1140.8 Ų40.88%0.07723%0.229CC..  trans-95.4158.3174.171.30000111V143 L144 T145 V167S141-V143 VanDerWaalsContact C-N 3.28Å; S141-V143 PolarHBondContact O-N 3.11Å; S141-L144 PolarHBondContact O-N 3.17Å; S141-L144 VanDerWaalsContact OG-CG 3.31Å; S141-L144 WeakPolarHBondContact OG-CG 3.44Å; S141-L144 PolarHBondContact OG-N 3.43Å; S141-T145 PolarHBondContact O-N 3.47Å; S141-T145 PolarHBondContact O-OG1 2.8Å; S141-V167 WeakPolarHBondContact OG-CG1 3.35Å
142P95.4Very high93Very high0 Ų040.1 Ų40.10%022%0.222CC..Hα-helixtrans-56.7-39.9172.9-24.835.2000112.9L110 F111 V114 G133 L144 T145 A146 L158L110-P142 HydrophobicContact CD2-CG 4.48Å; F111-P142 HydrophobicContact CB-CG 4.43Å; F111-P142 HydrophobicContact CD2-CG 4.19Å; V114-P142 HydrophobicContact CB-CB 4.37Å; V114-P142 HydrophobicContact CG1-CB 4.25Å; V114-P142 WeakPolarHBondContact CG1-O 3.5Å; V114-P142 HydrophobicContact CG2-CB 4.07Å; G133-P142 VanDerWaalsContact C-CD 3.48Å; G133-P142 WeakPolarHBondContact O-CD 3.22Å; P142-L144 PolarHBondContact O-N 3.2Å; P142-T145 PolarHBondContact O-N 3.33Å; P142-A146 WeakPolarHBondContact O-CB 3.33Å; P142-A146 PolarHBondContact O-N 2.98Å; P142-L158 HydrophobicContact CB-CD1 3.81Å; P142-L158 HydrophobicContact CB-CD2 3.97Å
143V95.7Very high93.1Very high0 Ų040.8 Ų40.80%023%0.23CC..Hα-helixtrans-61.2-41.4178.1179.30000111.8S141 A146 A147 L155 L158 L159 A163 P184 L200S141-V143 VanDerWaalsContact C-N 3.28Å; S141-V143 PolarHBondContact O-N 3.11Å; V143-A146 PolarHBondContact O-N 3.28Å; V143-A147 VanDerWaalsContact O-CB 3.27Å; V143-A147 WeakPolarHBondContact O-CB 3.32Å; V143-A147 PolarHBondContact O-N 3.45Å; V143-L155 HydrophobicContact CB-CD1 4.45Å; V143-L155 HydrophobicContact CG1-CD1 3.74Å; V143-L158 HydrophobicContact CG2-CB 4.3Å; V143-L158 HydrophobicContact CG2-CD1 4.29Å; V143-L159 HydrophobicContact CG1-CD2 4.45Å; V143-L159 HydrophobicContact CG2-CD2 4.47Å; V143-A163 HydrophobicContact CG2-CB 3.49Å; V143-A163 VanDerWaalsContact CG2-CB 3.49Å; V143-P184 HydrophobicContact CB-CG 4.47Å; V143-P184 HydrophobicContact CG1-CB 3.87Å; V143-P184 HydrophobicContact CG1-CG 3.57Å; V143-L200 HydrophobicContact CG1-CD2 4.18Å
144L92.9Very high93.4Very high5 Ų539.4 Ų39.43%0.02622%0.215CC..Hα-helixtrans-62.4-44.8176.7-74.3168.1000111.4S141 P142 R148 V167 A169 S182 P184 L187S141-L144 PolarHBondContact O-N 3.17Å; S141-L144 VanDerWaalsContact OG-CG 3.31Å; S141-L144 WeakPolarHBondContact OG-CG 3.44Å; S141-L144 PolarHBondContact OG-N 3.43Å; P142-L144 PolarHBondContact O-N 3.2Å; L144-R148 WeakPolarHBondContact O-CB 3.48Å; L144-R148 PolarHBondContact O-N 2.99Å; L144-V167 HydrophobicContact CD1-CG1 4.2Å; L144-V167 HydrophobicContact CG-CG1 4.47Å; L144-A169 HydrophobicContact CD1-CB 3.9Å; L144-S182 VanDerWaalsContact CD2-O 3.31Å; L144-S182 WeakPolarHBondContact CD2-O 3.37Å; L144-P184 HydrophobicContact CD2-CG 3.87Å; L144-P184 HydrophobicContact CG-CG 4.36Å; L144-L187 HydrophobicContact CB-CD1 4.28Å; L144-L187 HydrophobicContact CD2-CD1 3.68Å
145T94.5Very high93.6Very high6 Ų638.9 Ų38.94%0.03721%0.209CC..Hα-helixtrans-63.1-49.7177.6-530000111.2F111 V114 S141 P142 A147 R148 D149F111-T145 WeakPolarHBondContact CE2-OG1 3.42Å; V114-T145 HydrophobicContact CG1-CG2 4.29Å; S141-T145 PolarHBondContact O-N 3.47Å; S141-T145 PolarHBondContact O-OG1 2.8Å; P142-T145 PolarHBondContact O-N 3.33Å; T145-A147 VanDerWaalsContact C-N 3.33Å; T145-A147 PolarHBondContact O-N 3.02Å; T145-R148 PolarHBondContact O-N 2.95Å; T145-D149 WeakPolarHBondContact CG2-OD2 3.44Å; T145-D149 WeakPolarHBondContact O-CB 3.49Å; T145-D149 PolarHBondContact O-N 3.5Å
146A97.1Very high93.8Very high1 Ų143.3 Ų43.31%0.00823%0.228CC..Hα-helixtrans-62.8-37.8-179.400000112.7V114 P142 V143 G150 A151 I154 L155 L158V114-A146 HydrophobicContact CG1-CB 4.18Å; P142-A146 WeakPolarHBondContact O-CB 3.33Å; P142-A146 PolarHBondContact O-N 2.98Å; V143-A146 PolarHBondContact O-N 3.28Å; A146-G150 PolarHBondContact O-N 2.93Å; A146-G150 VanDerWaalsContact O-N 3.14Å; A146-A151 HydrophobicContact CB-CB 4.34Å; A146-A151 PolarHBondContact O-N 3.42Å; A146-I154 HydrophobicContact CB-CG2 4.06Å; A146-L155 HydrophobicContact CB-CB 4.09Å; A146-L155 HydrophobicContact CB-CD1 4.19Å; A146-L158 HydrophobicContact CB-CD1 4.15Å
147A95.6Very high94.2Very high0 Ų039.3 Ų39.30%021%0.206CC..Hα-helixtrans-69.4-40176.200000112.7V143 T145 P184 H193 L200V143-A147 VanDerWaalsContact O-CB 3.27Å; V143-A147 WeakPolarHBondContact O-CB 3.32Å; V143-A147 PolarHBondContact O-N 3.45Å; T145-A147 VanDerWaalsContact C-N 3.33Å; T145-A147 PolarHBondContact O-N 3.02Å; A147-P184 HydrophobicContact CB-CB 3.82Å; A147-P184 WeakPolarHBondContact CB-O 3.44Å; A147-H193 PolarHBondContact O-CD2 3.39Å; A147-L200 HydrophobicContact CB-CD1 4.1Å
148R93.3Very high94.6Very high103 Ų10331.2 Ų31.239%0.38918%0.175SC..Hα-helixtrans-65.4-40.6175.8-173.2-163.366.3-176.1-5.1112.4L144 T145 G150 L187 Y191 H193L144-R148 WeakPolarHBondContact O-CB 3.48Å; L144-R148 PolarHBondContact O-N 2.99Å; T145-R148 PolarHBondContact O-N 2.95Å; R148-G150 VanDerWaalsContact C-N 3.33Å; R148-L187 HydrophobicContact CB-CB 4.33Å; R148-L187 HydrophobicContact CB-CD1 4.26Å; R148-Y191 HydrophobicContact CG-CD2 3.94Å; R148-Y191 HydrophobicContact CG-CE1 4.35Å; R148-Y191 HydrophobicContact CG-CE2 3.61Å; R148-Y191 HydrophobicContact CG-CG 4.45Å; R148-H193 PolarHBondContact O-CD2 3.05Å; R148-H193 PolarHBondContact O-NE2 3.41Å; R148-H193 VanDerWaalsContact O-NE2 3.08Å
149D94.8Very high95Very high75 Ų7531 Ų3140%0.40117%0.174SC..THydrogen-bonded Turntrans-89.5-1.7-174-62.2-14000112.6T145 A151T145-D149 WeakPolarHBondContact CG2-OD2 3.44Å; T145-D149 WeakPolarHBondContact O-CB 3.49Å; T145-D149 PolarHBondContact O-N 3.5Å; D149-A151 VanDerWaalsContact C-N 3.29Å; D149-A151 PolarHBondContact O-N 3.31Å
150G96.5Very high95.5Very high21 Ų2128.3 Ų28.322%0.21617%0.169CC..THydrogen-bonded Turntrans71.821.3179.100000114.1A146 R148 V152 H193A146-G150 PolarHBondContact O-N 2.93Å; A146-G150 VanDerWaalsContact O-N 3.14Å; R148-G150 VanDerWaalsContact C-N 3.33Å; G150-V152 VanDerWaalsContact C-N 3.28Å; G150-V152 PolarHBondContact O-N 2.84Å; G150-H193 WeakPolarHBondContact CA-CD2 3.41Å; G150-H193 PolarHBondContact N-CD2 3.43Å; G150-H193 VanDerWaalsContact N-CD2 3.32Å; G150-H193 PolarHBondContact N-NE2 3.32Å
151A97.5Very high95.9Very high26 Ų2630 Ų3022%0.21517%0.173CC..  trans-79.770.7-175.800000111.6A146 D149 A153 I154 L155A146-A151 HydrophobicContact CB-CB 4.34Å; A146-A151 PolarHBondContact O-N 3.42Å; D149-A151 VanDerWaalsContact C-N 3.29Å; D149-A151 PolarHBondContact O-N 3.31Å; A151-A153 VanDerWaalsContact C-N 3.35Å; A151-A153 PolarHBondContact O-N 3.43Å; A151-I154 HydrophobicContact CB-CB 4.02Å; A151-I154 HydrophobicContact CB-CD1 4.14Å; A151-I154 HydrophobicContact CB-CG1 4.36Å; A151-I154 PolarHBondContact O-N 3.39Å; A151-I154 VanDerWaalsContact O-N 3.14Å; A151-L155 WeakPolarHBondContact O-CB 3.24Å; A151-L155 PolarHBondContact O-N 3.04Å
152V98.1Very high95.9Very high48 Ų4832.3 Ų32.329%0.29120%0.198SC..Hα-helixtrans-52.6-47.6-173.3-1770000112.5G150 I154 L155 Q156 D195 L199G150-V152 VanDerWaalsContact C-N 3.28Å; G150-V152 PolarHBondContact O-N 2.84Å; V152-I154 PolarHBondContact O-N 2.99Å; V152-L155 PolarHBondContact O-N 3.18Å; V152-Q156 WeakPolarHBondContact O-CB 3.32Å; V152-Q156 PolarHBondContact O-N 3.4Å; V152-D195 HydrophobicContact CG1-CB 4.15Å; V152-D195 HydrophobicContact CG2-CB 3.63Å; V152-L199 HydrophobicContact CG1-CD1 4.31Å
153A98.4Very high95.8Very high44 Ų4432.8 Ų32.836%0.36420%0.203SC..Hα-helixtrans-64.6-41.7-178.500000112.1L119 A151 Q156 E157L119-A153 HydrophobicContact CD1-CB 4.09Å; L119-A153 HydrophobicContact CD2-CB 3.73Å; A151-A153 VanDerWaalsContact C-N 3.35Å; A151-A153 PolarHBondContact O-N 3.43Å; A153-Q156 WeakPolarHBondContact O-CB 3.5Å; A153-Q156 PolarHBondContact O-N 2.97Å; A153-E157 WeakPolarHBondContact O-CG 3.47Å; A153-E157 PolarHBondContact O-N 3.19Å; A153-E157 VanDerWaalsContact O-N 3.1Å
154I98.6Very high95.6Very high7 Ų739.5 Ų39.54%0.03623%0.234CC..Hα-helixtrans-65.7-44.3176.4-68.7178.7000110.3V114 L119 V122 A146 A151 V152 Q156 E157 L158V114-I154 HydrophobicContact CB-CG2 4.28Å; V114-I154 HydrophobicContact CG1-CG2 3.97Å; V114-I154 HydrophobicContact CG2-CG2 3.69Å; L119-I154 HydrophobicContact CB-CG1 4.18Å; L119-I154 HydrophobicContact CD1-CG1 3.8Å; V122-I154 HydrophobicContact CG1-CG2 4.34Å; V122-I154 HydrophobicContact CG2-CD1 4.47Å; V122-I154 HydrophobicContact CG2-CG1 4.49Å; V122-I154 HydrophobicContact CG2-CG2 4.28Å; A146-I154 HydrophobicContact CB-CG2 4.06Å; A151-I154 HydrophobicContact CB-CB 4.02Å; A151-I154 HydrophobicContact CB-CD1 4.14Å; A151-I154 HydrophobicContact CB-CG1 4.36Å; A151-I154 PolarHBondContact O-N 3.39Å; A151-I154 VanDerWaalsContact O-N 3.14Å; V152-I154 PolarHBondContact O-N 2.99Å; I154-Q156 VanDerWaalsContact C-N 3.27Å; I154-Q156 PolarHBondContact O-N 3.02Å; I154-E157 PolarHBondContact O-N 3.3Å; I154-L158 HydrophobicContact CG2-CD1 3.99Å; I154-L158 HydrophobicContact CG2-CG 4.36Å; I154-L158 WeakPolarHBondContact O-CG 3.25Å; I154-L158 PolarHBondContact O-N 2.99Å
155L98Very high95.5Very high0 Ų039.6 Ų39.60%024%0.235CC..Hα-helixtrans-60.5-39.7177.5-17362.2000111.5V143 A146 A151 V152 L158 L159 C196 L199 L200V143-L155 HydrophobicContact CB-CD1 4.45Å; V143-L155 HydrophobicContact CG1-CD1 3.74Å; A146-L155 HydrophobicContact CB-CB 4.09Å; A146-L155 HydrophobicContact CB-CD1 4.19Å; A151-L155 WeakPolarHBondContact O-CB 3.24Å; A151-L155 PolarHBondContact O-N 3.04Å; V152-L155 PolarHBondContact O-N 3.18Å; L155-L158 PolarHBondContact O-N 2.97Å; L155-L159 HydrophobicContact CD1-CD1 4.31Å; L155-L159 HydrophobicContact CD1-CG 4.32Å; L155-L159 HydrophobicContact CG-CD1 4.2Å; L155-L159 WeakPolarHBondContact O-CB 3.31Å; L155-L159 WeakPolarHBondContact O-CG 3.25Å; L155-L159 PolarHBondContact O-N 3.06Å; L155-C196 HydrophobicContact CD2-CB 3.69Å; L155-L199 HydrophobicContact CB-CD2 4.27Å; L155-L199 HydrophobicContact CD2-CD2 3.94Å; L155-L199 HydrophobicContact CG-CD2 3.68Å; L155-L200 HydrophobicContact CD1-CD2 4.24Å; L155-L200 HydrophobicContact CD2-CD1 4.29Å; L155-L200 HydrophobicContact CD2-CD2 4.37Å; L155-L200 HydrophobicContact CD2-CG 4.01Å
156Q97Very high95.3Very high110 Ų11041.1 Ų41.151%0.51424%0.243SC..Hα-helixtrans-60.7-45.4174.2-173.3174.3-12.500112.1V152 A153 I154 G160 L199V152-Q156 WeakPolarHBondContact O-CB 3.32Å; V152-Q156 PolarHBondContact O-N 3.4Å; A153-Q156 WeakPolarHBondContact O-CB 3.5Å; A153-Q156 PolarHBondContact O-N 2.97Å; I154-Q156 VanDerWaalsContact C-N 3.27Å; I154-Q156 PolarHBondContact O-N 3.02Å; Q156-G160 WeakPolarHBondContact O-CA 3.38Å; Q156-G160 PolarHBondContact O-N 3.37Å; Q156-L199 HydrophobicContact CB-CD1 3.73Å; Q156-L199 HydrophobicContact CG-CD1 4.05Å
157E97.8Very high94.8Very high41 Ų4142.2 Ų42.219%0.19225%0.249CC..Hα-helixtrans-63.1-45.1177.3-65.6-60.3164.600111.6L119 V122 R123 L126 A153 I154 G160 H161L119-E157 HydrophobicContact CD1-CG 3.8Å; V122-E157 HydrophobicContact CG1-CB 4.28Å; R123-E157 HydrophobicContact CG-CG 3.88Å; R123-E157 IonicContact CZ-OE1 2.84Å; R123-E157 IonicContact NE-OE1 3.73Å; R123-E157 PolarHBondContact NE-OE1 3.47Å; R123-E157 IonicContact NH2-OE1 3.49Å; R123-E157 PolarHBondContact NH2-OE1 3.27Å; L126-E157 HydrophobicContact CD1-CB 3.93Å; A153-E157 WeakPolarHBondContact O-CG 3.47Å; A153-E157 PolarHBondContact O-N 3.19Å; A153-E157 VanDerWaalsContact O-N 3.1Å; I154-E157 PolarHBondContact O-N 3.3Å; E157-G160 PolarHBondContact O-N 2.9Å; E157-H161 PolarHBondContact O-N 3.26Å; E157-H161 PolarHBondContact O-ND1 2.81Å; E157-H161 IonicContact OE2-CE1 2.69Å
158L97.6Very high94Very high0 Ų047.5 Ų47.50%027%0.273CS..Hα-helixtrans-60-50.7178.9-68.7170.8000111.6L110 V114 L126 P142 V143 A146 I154 L155 G160 H161 G162 A163L110-L158 HydrophobicContact CD1-CD2 4.44Å; L110-L158 HydrophobicContact CD2-CD2 4.1Å; L110-L158 HydrophobicContact CG-CD2 4.49Å; V114-L158 HydrophobicContact CG2-CD1 4.24Å; V114-L158 HydrophobicContact CG2-CD2 4.38Å; L126-L158 HydrophobicContact CD1-CD2 4.36Å; L126-L158 HydrophobicContact CD2-CD2 4.42Å; P142-L158 HydrophobicContact CB-CD1 3.81Å; P142-L158 HydrophobicContact CB-CD2 3.97Å; V143-L158 HydrophobicContact CG2-CB 4.3Å; V143-L158 HydrophobicContact CG2-CD1 4.29Å; A146-L158 HydrophobicContact CB-CD1 4.15Å; I154-L158 HydrophobicContact CG2-CD1 3.99Å; I154-L158 HydrophobicContact CG2-CG 4.36Å; I154-L158 WeakPolarHBondContact O-CG 3.25Å; I154-L158 PolarHBondContact O-N 2.99Å; L155-L158 PolarHBondContact O-N 2.97Å; L158-G160 VanDerWaalsContact C-N 3.32Å; L158-H161 PolarHBondContact O-N 3.28Å; L158-G162 PolarHBondContact O-N 3.27Å; L158-A163 HydrophobicContact CB-CB 4.05Å; L158-A163 WeakPolarHBondContact O-CB 3.2Å; L158-A163 PolarHBondContact O-N 3.41Å
159L95.1Very high92.9Very high8 Ų843.2 Ų43.24%0.04226%0.259CS..Hα-helixtrans-70.7-30.1179.8-62.9-178.8000112.1V143 L155 H161 G162 A163 A165 L199 L200 H203V143-L159 HydrophobicContact CG1-CD2 4.45Å; V143-L159 HydrophobicContact CG2-CD2 4.47Å; L155-L159 HydrophobicContact CD1-CD1 4.31Å; L155-L159 HydrophobicContact CD1-CG 4.32Å; L155-L159 HydrophobicContact CG-CD1 4.2Å; L155-L159 WeakPolarHBondContact O-CB 3.31Å; L155-L159 WeakPolarHBondContact O-CG 3.25Å; L155-L159 PolarHBondContact O-N 3.06Å; L159-H161 VanDerWaalsContact C-N 3.3Å; L159-G162 PolarHBondContact O-N 3.44Å; L159-A163 HydrophobicContact CD2-CB 4.3Å; L159-A163 VanDerWaalsContact CD2-O 3.25Å; L159-A163 WeakPolarHBondContact CD2-O 3.45Å; L159-A165 HydrophobicContact CD2-CB 4.26Å; L159-L199 HydrophobicContact CD1-CD2 3.31Å; L159-L199 HydrophobicContact CG-CD2 4.31Å; L159-L200 HydrophobicContact CD1-CD2 4.01Å; L159-H203 HydrophobicContact CB-CB 4.23Å; L159-H203 HydrophobicContact CD1-CB 3.64Å; L159-H203 HydrophobicContact CD2-CB 4.46Å; L159-H203 HydrophobicContact CG-CB 4.34Å
160G93.6Very high91.7Very high44 Ų4444 Ų4445%0.45426%0.259SS..Hα-helixtrans-63.8-34.2173.100000113Q156 E157 L158 G162Q156-G160 WeakPolarHBondContact O-CA 3.38Å; Q156-G160 PolarHBondContact O-N 3.37Å; E157-G160 PolarHBondContact O-N 2.9Å; L158-G160 VanDerWaalsContact C-N 3.32Å; G160-G162 VanDerWaalsContact C-N 3.29Å
161H94.7Very high90.1Very high80 Ų8047.7 Ų47.737%0.3727%0.273SS..THydrogen-bonded Turntrans-88.39.7174.7-70.180.8000113.5L126 P132 E157 L158 L159L126-H161 HydrophobicContact CD1-CB 4.35Å; L126-H161 HydrophobicContact CD2-CB 4.06Å; P132-H161 HydrophobicContact CB-CB 4.39Å; P132-H161 HydrophobicContact CG-CB 3.89Å; P132-H161 VanDerWaalsContact CG-O 3.25Å; P132-H161 WeakPolarHBondContact CG-O 3.48Å; E157-H161 PolarHBondContact O-N 3.26Å; E157-H161 PolarHBondContact O-ND1 2.81Å; E157-H161 IonicContact OE2-CE1 2.69Å; L158-H161 PolarHBondContact O-N 3.28Å; L159-H161 VanDerWaalsContact C-N 3.3Å
162G91.9Very high87.9Confident59 Ų5949.3 Ų49.361%0.60828%0.281SS*.THydrogen-bonded Turntrans91.618.4172.500000115.3L158 L159 G160L158-G162 PolarHBondContact O-N 3.27Å; L159-G162 PolarHBondContact O-N 3.44Å; G160-G162 VanDerWaalsContact C-N 3.29Å
163A93.4Very high85.5Confident11 Ų1153 Ų539%0.09130%0.304CS..  trans-61.1141.3168.200000111P132 V143 L158 L159P132-A163 HydrophobicContact CB-CB 3.71Å; V143-A163 HydrophobicContact CG2-CB 3.49Å; V143-A163 VanDerWaalsContact CG2-CB 3.49Å; L158-A163 HydrophobicContact CB-CB 4.05Å; L158-A163 WeakPolarHBondContact O-CB 3.2Å; L158-A163 PolarHBondContact O-N 3.41Å; L159-A163 HydrophobicContact CD2-CB 4.3Å; L159-A163 VanDerWaalsContact CD2-O 3.25Å; L159-A163 WeakPolarHBondContact CD2-O 3.45Å
164E91.2Very high83.2Confident141 Ų14160.9 Ų60.966%0.65933%0.325SS*.  trans-70.3134.1179.6-65.7179.7-179.500111.3V167E164-V167 HydrophobicContact CB-CG2 3.76Å; E164-V167 WeakPolarHBondContact O-CG2 3.47Å
165A91.4Very high80.8Confident6 Ų663.2 Ų63.25%0.0534%0.344CS..THydrogen-bonded Turntrans-78.8-22.4177.700000113.1L159 L200 H203 A205L159-A165 HydrophobicContact CD2-CB 4.26Å; A165-L200 HydrophobicContact CB-CD2 4.32Å; A165-H203 HydrophobicContact CB-CB 4.37Å; A165-A205 HydrophobicContact CB-CB 4.06Å
166N89.2Confident78.5Confident39 Ų3965 Ų6521%0.20936%0.357CS..THydrogen-bonded Turntrans-102.636.5-175-65.6-61.7000112.8K168 G204 A205 D206N166-K168 PolarHBondContact O-N 3.01Å; N166-G204 PolarHBondContact ND2-O 3.43Å; N166-A205 VanDerWaalsContact OD1-CA 3.31Å; N166-A205 WeakPolarHBondContact OD1-CA 3.26Å; N166-D206 PolarHBondContact OD1-N 2.88Å
167V87Confident76Confident23 Ų2366.8 Ų66.814%0.13937%0.37CS..PPolyproline II helixtrans-69.4134.5-175.5177.50000111.1S141 L144 E164 G183 P184S141-V167 WeakPolarHBondContact OG-CG1 3.35Å; L144-V167 HydrophobicContact CD1-CG1 4.2Å; L144-V167 HydrophobicContact CG-CG1 4.47Å; E164-V167 HydrophobicContact CB-CG2 3.76Å; E164-V167 WeakPolarHBondContact O-CG2 3.47Å; V167-G183 WeakPolarHBondContact O-CA 3.5Å; V167-P184 HydrophobicContact CB-CG 4.45Å; V167-P184 VanDerWaalsContact O-CD 3.28Å; V167-P184 WeakPolarHBondContact O-CD 3.49Å
168K78.2Confident73.5Confident112 Ų11270.6 Ų70.649%0.48739%0.391SS..PPolyproline II helixtrans-83.1131.2173.8-179.9179.9170.4-173.40111.2N166 K170 L216N166-K168 PolarHBondContact O-N 3.01Å; K168-K170 PolarHBondContact O-N 3.38Å; K168-L216 HydrophobicContact CD-CD1 3.65Å; K168-L216 VanDerWaalsContact NZ-CD1 3.27Å
169A71.3Confident71.2Confident13 Ų1373.5 Ų73.511%0.10742%0.415CS..PPolyproline II helixtrans-67.4127164.900000109.8L144 L171 S182L144-A169 HydrophobicContact CD1-CB 3.9Å; A169-L171 HydrophobicContact CB-CD1 4.42Å; A169-L171 HydrophobicContact CB-CG 4.34Å; A169-L171 PolarHBondContact O-N 3.32Å; A169-S182 WeakPolarHBondContact CB-O 3.38Å
170K70.3Confident69Low90 Ų9074.7 Ų74.739%0.39142%0.424SS..  trans-87.750.7178.7-54.8177.6-166.2150.20110.3I136 N138 N139 K168I136-K170 VanDerWaalsContact C-NZ 3.35Å; I136-K170 PolarHBondContact O-NZ 3.22Å; N138-K170 PolarHBondContact O-NZ 3.34Å; N139-K170 HydrophobicContact CB-CB 4.34Å; N139-K170 PolarHBondContact O-N 3.38Å; K168-K170 PolarHBondContact O-N 3.38Å
171L61.2Low67.3Low99 Ų9973.6 Ų73.652%0.51841%0.409SS..  trans-76.4136.4174.1-70.9171.2000109.6A169 V173A169-L171 HydrophobicContact CB-CD1 4.42Å; A169-L171 HydrophobicContact CB-CG 4.34Å; A169-L171 PolarHBondContact O-N 3.32Å; L171-V173 PolarHBondContact O-N 3.43Å
172P51.9Low66.1Low60 Ų6071.2 Ų71.239%0.3940%0.401SS..  trans-58134.7171.2-21.131.4000110.3W174 A175P172-W174 HydrophobicContact CB-CG 4.45Å; P172-W174 PolarHBondContact O-N 3.27Å; P172-A175 PolarHBondContact O-N 3.26Å
173V48.3Very low65.8Low126 Ų12668.6 Ų68.676%0.76437%0.374SS*.THydrogen-bonded Turntrans-52.7-26.2-174.2-179.10000113.7L171L171-V173 PolarHBondContact O-N 3.43Å
174W50.5Low65.7Low210 Ų21068.1 Ų68.180%0.79537%0.37SS*.THydrogen-bonded Turntrans-83.1-20178.965.9-94.2000114.5P172P172-W174 HydrophobicContact CB-CG 4.45Å; P172-W174 PolarHBondContact O-N 3.27Å
175A47.3Very low65.7Low55 Ų5561.4 Ų61.446%0.45534%0.339SS..THydrogen-bonded Turntrans-87.1-20177.500000112.1P172 N177P172-A175 PolarHBondContact O-N 3.26Å; A175-N177 VanDerWaalsContact C-N 3.28Å; A175-N177 PolarHBondContact O-N 3.16Å; A175-N177 VanDerWaalsContact O-N 3.1Å
176S50Low65.6Low38 Ų3862.5 Ų62.527%0.26634%0.342SS..  trans-8274.2168.8-65.80000109.5I178S176-I178 CarbonylContact C-O 3.59Å; S176-I178 PolarHBondContact O-N 3.49Å; S176-I178 VanDerWaalsContact O-N 3.14Å
177N44.9Very low65.5Low147 Ų14762 Ų6279%0.78634%0.339SS*.SBendtrans-64.3115.5157.7-87.4-18.9000106.6A175A175-N177 VanDerWaalsContact C-N 3.28Å; A175-N177 PolarHBondContact O-N 3.16Å; A175-N177 VanDerWaalsContact O-N 3.1Å
178I45.5Very low65.8Low121 Ų12161 Ų6162%0.62133%0.333SS*.SBendtrans90126.1-163-49.4156000110.9S176 S180S176-I178 CarbonylContact C-O 3.59Å; S176-I178 PolarHBondContact O-N 3.49Å; S176-I178 VanDerWaalsContact O-N 3.14Å; I178-S180 WeakPolarHBondContact CB-OG 3.38Å; I178-S180 WeakPolarHBondContact CG2-OG 3.42Å; I178-S180 PolarHBondContact O-N 3.41Å
179A47.7Very low66.5Low62 Ų6255.8 Ų55.851%0.51231%0.311SS..  trans-62.554.3161.700000110.8C181 V220A179-C181 PolarHBondContact O-N 2.87Å; A179-V220 HydrophobicContact CB-CG1 3.65Å
180S50.2Low67.3Low33 Ų3357.5 Ų57.523%0.23132%0.32CS..  trans-77.1116.2-178.5-65.80000107.3I178 S182I178-S180 WeakPolarHBondContact CB-OG 3.38Å; I178-S180 WeakPolarHBondContact CG2-OG 3.42Å; I178-S180 PolarHBondContact O-N 3.41Å; S180-S182 PolarHBondContact O-N 3.37Å
181C56.3Low68.2Low21 Ų2159.5 Ų59.514%0.14233%0.326CS..  trans-40.8115.8154.4-59.30000106.7A179 Y186 R224 I229A179-C181 PolarHBondContact O-N 2.87Å; C181-Y186 HydrophobicContact CB-CD2 4.34Å; C181-Y186 WeakPolarHBondContact O-CB 3.27Å; C181-Y186 WeakPolarHBondContact O-CD1 3.45Å; C181-Y186 WeakPolarHBondContact O-CD2 3.25Å; C181-Y186 WeakPolarHBondContact O-CE1 3.48Å; C181-R224 PolarHBondContact SG-O 3.05Å; C181-I229 HydrophobicContact CB-CD1 4.23Å
182S70.3Confident69.7Low30 Ų3057.1 Ų57.121%0.2133%0.325CS..  trans-117.516.9-169.345.20000111.8L144 A169 S180L144-S182 VanDerWaalsContact CD2-O 3.31Å; L144-S182 WeakPolarHBondContact CD2-O 3.37Å; A169-S182 WeakPolarHBondContact CB-O 3.38Å; S180-S182 PolarHBondContact O-N 3.37Å
183G84.9Confident71.8Confident4 Ų456.9 Ų56.94%0.04132%0.319CS..SBendtrans-77.8177.617900000113.1V167 L185 Y186 L187 N210V167-G183 WeakPolarHBondContact O-CA 3.5Å; G183-L185 PolarHBondContact O-N 3.1Å; G183-Y186 PolarHBondContact O-N 3.18Å; G183-L187 PolarHBondContact O-N 3.17Å; G183-L187 VanDerWaalsContact O-N 3.16Å; G183-N210 WeakPolarHBondContact CA-ND2 3.46Å; G183-N210 PolarHBondContact O-ND2 3.16Å
184P91.3Very high74Confident0 Ų053 Ų530%029%0.294CS..Hα-helixtrans-58.7-46-175.8-25.935.2000114.2V143 L144 A147 V167 Y186 L187 A188 L200 N210V143-P184 HydrophobicContact CB-CG 4.47Å; V143-P184 HydrophobicContact CG1-CB 3.87Å; V143-P184 HydrophobicContact CG1-CG 3.57Å; L144-P184 HydrophobicContact CD2-CG 3.87Å; L144-P184 HydrophobicContact CG-CG 4.36Å; A147-P184 HydrophobicContact CB-CB 3.82Å; A147-P184 WeakPolarHBondContact CB-O 3.44Å; V167-P184 HydrophobicContact CB-CG 4.45Å; V167-P184 VanDerWaalsContact O-CD 3.28Å; V167-P184 WeakPolarHBondContact O-CD 3.49Å; P184-Y186 VanDerWaalsContact C-N 3.31Å; P184-Y186 PolarHBondContact O-N 3.14Å; P184-L187 PolarHBondContact O-N 3.42Å; P184-A188 PolarHBondContact O-N 2.94Å; P184-L200 VanDerWaalsContact C-CD1 3.48Å; P184-L200 HydrophobicContact CB-CD1 3.66Å; P184-L200 HydrophobicContact CB-CD2 3.67Å; P184-L200 HydrophobicContact CB-CG 4.34Å; P184-N210 VanDerWaalsContact N-ND2 3.19Å
185L91.8Very high76.2Confident0 Ų047.2 Ų47.20%028%0.278CS..Hα-helixtrans-62.8-35.7-179.4-166.964.3000112.7G183 A189 F197 L200 L201 A205 D206 N210 L226G183-L185 PolarHBondContact O-N 3.1Å; L185-A189 PolarHBondContact O-N 2.85Å; L185-A189 VanDerWaalsContact O-N 3.16Å; L185-F197 HydrophobicContact CD1-CB 4.35Å; L185-F197 HydrophobicContact CD1-CD1 4.03Å; L185-F197 HydrophobicContact CD1-CD2 3.33Å; L185-F197 HydrophobicContact CD1-CE1 4.16Å; L185-F197 HydrophobicContact CD1-CE2 3.45Å; L185-F197 VanDerWaalsContact CD1-CE2 3.45Å; L185-F197 HydrophobicContact CD1-CG 3.64Å; L185-F197 HydrophobicContact CD1-CZ 3.88Å; L185-F197 WeakPolarHBondContact CD1-O 3.38Å; L185-F197 HydrophobicContact CD2-CE2 4.37Å; L185-F197 HydrophobicContact CD2-CZ 4.45Å; L185-F197 HydrophobicContact CG-CD2 3.84Å; L185-F197 HydrophobicContact CG-CE2 3.51Å; L185-F197 HydrophobicContact CG-CZ 4.03Å; L185-F197 VanDerWaalsContact O-CD2 3.27Å; L185-F197 WeakPolarHBondContact O-CD2 3.24Å; L185-F197 WeakPolarHBondContact O-CE2 3.37Å; L185-L200 HydrophobicContact CB-CD1 4.39Å; L185-L200 HydrophobicContact CD1-CB 3.85Å; L185-L200 HydrophobicContact CD1-CD1 4.36Å; L185-L201 HydrophobicContact CD1-CD2 4.21Å; L185-L201 HydrophobicContact CD1-CG 3.85Å; L185-L201 HydrophobicContact CD2-CD2 3.65Å; L185-L201 HydrophobicContact CD2-CG 4.23Å; L185-A205 HydrophobicContact CB-CB 4.34Å; L185-A205 HydrophobicContact CD1-CB 4.49Å; L185-A205 HydrophobicContact CD2-CB 3.95Å; L185-D206 WeakPolarHBondContact CD2-O 3.41Å; L185-N210 WeakPolarHBondContact CA-ND2 3.31Å; L185-N210 HydrophobicContact CB-CB 3.84Å; L185-N210 VanDerWaalsContact CB-ND2 3.33Å; L185-N210 WeakPolarHBondContact CB-ND2 3.48Å; L185-N210 HydrophobicContact CD2-CB 4.38Å; L185-N210 PolarHBondContact N-ND2 2.96Å; L185-L226 HydrophobicContact CB-CD1 4.18Å; L185-L226 HydrophobicContact CD2-CD1 3.33Å; L185-L226 HydrophobicContact CG-CD1 3.72Å
186Y88.6Confident78.6Confident30 Ų3044.6 Ų44.612%0.11826%0.256CS..Hα-helixtrans-66-48.1173.5168.4-93.6000111.4C181 G183 P184 A188 A189 V190 N210 L226 I229C181-Y186 HydrophobicContact CB-CD2 4.34Å; C181-Y186 WeakPolarHBondContact O-CB 3.27Å; C181-Y186 WeakPolarHBondContact O-CD1 3.45Å; C181-Y186 WeakPolarHBondContact O-CD2 3.25Å; C181-Y186 WeakPolarHBondContact O-CE1 3.48Å; G183-Y186 PolarHBondContact O-N 3.18Å; P184-Y186 VanDerWaalsContact C-N 3.31Å; P184-Y186 PolarHBondContact O-N 3.14Å; Y186-A188 VanDerWaalsContact C-N 3.31Å; Y186-A188 PolarHBondContact O-N 2.89Å; Y186-A189 PolarHBondContact O-N 3.19Å; Y186-A189 VanDerWaalsContact O-N 3.13Å; Y186-V190 HydrophobicContact CD1-CG2 4.2Å; Y186-V190 HydrophobicContact CD2-CG2 4.01Å; Y186-V190 HydrophobicContact CE1-CB 4.47Å; Y186-V190 HydrophobicContact CE1-CG2 3.78Å; Y186-V190 HydrophobicContact CE2-CG2 3.58Å; Y186-V190 HydrophobicContact CG-CG2 4.32Å; Y186-V190 VanDerWaalsContact CZ-CG2 3.48Å; Y186-V190 WeakPolarHBondContact O-CG2 3.35Å; Y186-V190 PolarHBondContact O-N 2.9Å; Y186-N210 PolarHBondContact N-ND2 3.38Å; Y186-L226 HydrophobicContact CD2-CD2 4.33Å; Y186-I229 HydrophobicContact CD2-CD1 3.6Å; Y186-I229 HydrophobicContact CD2-CG1 4.46Å; Y186-I229 HydrophobicContact CD2-CG2 3.75Å; Y186-I229 HydrophobicContact CE2-CD1 3.73Å; Y186-I229 HydrophobicContact CE2-CG1 4.28Å; Y186-I229 HydrophobicContact CE2-CG2 3.57Å
187L89Confident80.8Confident29 Ų2942.8 Ų42.815%0.15224%0.244CC..Hα-helixtrans-60-44.9179.3-65.4170.9000110.2L144 R148 G183 P184 A189 V190 Y191L144-L187 HydrophobicContact CB-CD1 4.28Å; L144-L187 HydrophobicContact CD2-CD1 3.68Å; R148-L187 HydrophobicContact CB-CB 4.33Å; R148-L187 HydrophobicContact CB-CD1 4.26Å; G183-L187 PolarHBondContact O-N 3.17Å; G183-L187 VanDerWaalsContact O-N 3.16Å; P184-L187 PolarHBondContact O-N 3.42Å; L187-A189 VanDerWaalsContact C-N 3.28Å; L187-A189 PolarHBondContact O-N 3.21Å; L187-V190 PolarHBondContact O-N 3.35Å; L187-Y191 HydrophobicContact CB-CD2 4.47Å; L187-Y191 HydrophobicContact CD2-CD2 4.45Å; L187-Y191 HydrophobicContact CD2-CE2 3.97Å; L187-Y191 WeakPolarHBondContact O-CB 3.49Å; L187-Y191 VanDerWaalsContact O-CD2 3.26Å; L187-Y191 WeakPolarHBondContact O-CD2 3.28Å; L187-Y191 PolarHBondContact O-N 2.98Å
188A93.3Very high83.2Confident0 Ų040.3 Ų40.30%022%0.223CC..Hα-helixtrans-57.9-39.417600000112.6P184 Y186 G192 H193 C196 F197 L200P184-A188 PolarHBondContact O-N 2.94Å; Y186-A188 VanDerWaalsContact C-N 3.31Å; Y186-A188 PolarHBondContact O-N 2.89Å; A188-G192 PolarHBondContact O-N 2.87Å; A188-H193 HydrophobicContact CB-CB 4.48Å; A188-H193 PolarHBondContact O-N 3.19Å; A188-C196 HydrophobicContact CB-CB 3.98Å; A188-F197 HydrophobicContact CB-CB 3.97Å; A188-F197 HydrophobicContact CB-CD2 4.24Å; A188-L200 HydrophobicContact CB-CD1 4.19Å
189A91.3Very high85.5Confident3 Ų335.5 Ų35.53%0.02520%0.199CC..Hα-helixtrans-69.1-49.5176.400000113.1L185 Y186 L187 Y191 G192 F197 Y239L185-A189 PolarHBondContact O-N 2.85Å; L185-A189 VanDerWaalsContact O-N 3.16Å; Y186-A189 PolarHBondContact O-N 3.19Å; Y186-A189 VanDerWaalsContact O-N 3.13Å; L187-A189 VanDerWaalsContact C-N 3.28Å; L187-A189 PolarHBondContact O-N 3.21Å; A189-Y191 VanDerWaalsContact C-N 3.31Å; A189-Y191 PolarHBondContact O-N 3.44Å; A189-G192 PolarHBondContact O-N 2.93Å; A189-G192 VanDerWaalsContact O-N 3.15Å; A189-F197 HydrophobicContact CB-CD2 3.91Å; A189-F197 HydrophobicContact CB-CE2 3.76Å; A189-Y239 HydrophobicContact CB-CD1 4.21Å; A189-Y239 HydrophobicContact CB-CE1 4.26Å
190V87.8Confident87.8Confident50 Ų5032.5 Ų32.530%0.30317%0.174SC..Hα-helixtrans-65.6-35.1-175.9171.10000112.1Y186 L187 I229Y186-V190 HydrophobicContact CD1-CG2 4.2Å; Y186-V190 HydrophobicContact CD2-CG2 4.01Å; Y186-V190 HydrophobicContact CE1-CB 4.47Å; Y186-V190 HydrophobicContact CE1-CG2 3.78Å; Y186-V190 HydrophobicContact CE2-CG2 3.58Å; Y186-V190 HydrophobicContact CG-CG2 4.32Å; Y186-V190 VanDerWaalsContact CZ-CG2 3.48Å; Y186-V190 WeakPolarHBondContact O-CG2 3.35Å; Y186-V190 PolarHBondContact O-N 2.9Å; L187-V190 PolarHBondContact O-N 3.35Å; V190-I229 HydrophobicContact CG2-CG2 4.24Å
191Y90Very high89.9Confident132 Ų13231 Ų3152%0.51816%0.164SC..THydrogen-bonded Turntrans-89.90.5177.7-70.7-87.7000113.4R148 L187 A189R148-Y191 HydrophobicContact CG-CD2 3.94Å; R148-Y191 HydrophobicContact CG-CE1 4.35Å; R148-Y191 HydrophobicContact CG-CE2 3.61Å; R148-Y191 HydrophobicContact CG-CG 4.45Å; L187-Y191 HydrophobicContact CB-CD2 4.47Å; L187-Y191 HydrophobicContact CD2-CD2 4.45Å; L187-Y191 HydrophobicContact CD2-CE2 3.97Å; L187-Y191 WeakPolarHBondContact O-CB 3.49Å; L187-Y191 VanDerWaalsContact O-CD2 3.26Å; L187-Y191 WeakPolarHBondContact O-CD2 3.28Å; L187-Y191 PolarHBondContact O-N 2.98Å; A189-Y191 VanDerWaalsContact C-N 3.31Å; A189-Y191 PolarHBondContact O-N 3.44Å
192G92.9Very high91.6Very high49 Ų4932.2 Ų32.251%0.50517%0.168SC..THydrogen-bonded Turntrans76.524.7173.400000115.1A188 A189 L194 Y239A188-G192 PolarHBondContact O-N 2.87Å; A189-G192 PolarHBondContact O-N 2.93Å; A189-G192 VanDerWaalsContact O-N 3.15Å; G192-L194 PolarHBondContact O-N 3.06Å; G192-Y239 VanDerWaalsContact CA-OH 3.26Å; G192-Y239 WeakPolarHBondContact CA-OH 3.27Å; G192-Y239 PolarHBondContact O-OH 2.86Å; G192-Y239 VanDerWaalsContact O-OH 3.11Å
193H95.8Very high92.6Very high54 Ų5432.5 Ų32.525%0.2517%0.166CC..  trans-92.680.5179.4-57.7-47.7000112.6A147 R148 G150 A188 D195 C196 F197 Y239A147-H193 PolarHBondContact O-CD2 3.39Å; R148-H193 PolarHBondContact O-CD2 3.05Å; R148-H193 PolarHBondContact O-NE2 3.41Å; R148-H193 VanDerWaalsContact O-NE2 3.08Å; G150-H193 WeakPolarHBondContact CA-CD2 3.41Å; G150-H193 PolarHBondContact N-CD2 3.43Å; G150-H193 VanDerWaalsContact N-CD2 3.32Å; G150-H193 PolarHBondContact N-NE2 3.32Å; A188-H193 HydrophobicContact CB-CB 4.48Å; A188-H193 PolarHBondContact O-N 3.19Å; H193-D195 VanDerWaalsContact C-N 3.34Å; H193-D195 PolarHBondContact O-N 2.81Å; H193-C196 HydrophobicContact CB-CB 3.94Å; H193-C196 PolarHBondContact O-N 3.1Å; H193-F197 WeakPolarHBondContact O-CB 3.42Å; H193-F197 PolarHBondContact O-N 3.28Å; H193-Y239 VanDerWaalsContact C-OH 3.3Å; H193-Y239 PolarHBondContact N-OH 3.48Å; H193-Y239 VanDerWaalsContact N-OH 3.12Å
194L95.4Very high92.8Very high45 Ų4533.4 Ų33.424%0.23618%0.176CC..Hα-helixtrans-62.3-39-173.2-177.365.5000112.8G192 F197 R198 E238 Y239 L242G192-L194 PolarHBondContact O-N 3.06Å; L194-F197 WeakPolarHBondContact O-CB 3.44Å; L194-F197 PolarHBondContact O-N 3.33Å; L194-R198 WeakPolarHBondContact O-CB 3.32Å; L194-R198 PolarHBondContact O-N 3.29Å; L194-E238 HydrophobicContact CD1-CB 4Å; L194-E238 HydrophobicContact CD2-CB 3.93Å; L194-E238 HydrophobicContact CD2-CG 4.34Å; L194-Y239 VanDerWaalsContact CA-OH 3.28Å; L194-Y239 WeakPolarHBondContact CA-OH 3.35Å; L194-Y239 HydrophobicContact CB-CE1 4.49Å; L194-Y239 HydrophobicContact CB-CE2 4.28Å; L194-Y239 HydrophobicContact CD1-CD1 4.08Å; L194-Y239 HydrophobicContact CD1-CD2 3.96Å; L194-Y239 HydrophobicContact CD1-CE1 3.97Å; L194-Y239 HydrophobicContact CD1-CE2 3.84Å; L194-Y239 HydrophobicContact CD1-CG 4.07Å; L194-Y239 PolarHBondContact N-OH 3.21Å; L194-L242 HydrophobicContact CD1-CD1 3.7Å
195D96.6Very high92.9Very high88 Ų8833.7 Ų33.747%0.47118%0.179SC..Hα-helixtrans-69.4-40.1179.6-68.9-40.5000111.8V152 H193 F197 R198 L199V152-D195 HydrophobicContact CG1-CB 4.15Å; V152-D195 HydrophobicContact CG2-CB 3.63Å; H193-D195 VanDerWaalsContact C-N 3.34Å; H193-D195 PolarHBondContact O-N 2.81Å; D195-F197 VanDerWaalsContact C-N 3.31Å; D195-F197 PolarHBondContact O-N 3.35Å; D195-R198 PolarHBondContact O-N 3.05Å; D195-R198 IonicContact OD1-NH1 3.65Å; D195-L199 WeakPolarHBondContact O-CB 3.44Å; D195-L199 PolarHBondContact O-N 3.44Å
196C96.8Very high92.8Very high0 Ų035.7 Ų35.70%019%0.189CC..Hα-helixtrans-60.8-43.4170.6-71.70000110.9L155 A188 H193 L199 L200L155-C196 HydrophobicContact CD2-CB 3.69Å; A188-C196 HydrophobicContact CB-CB 3.98Å; H193-C196 HydrophobicContact CB-CB 3.94Å; H193-C196 PolarHBondContact O-N 3.1Å; C196-L199 PolarHBondContact O-N 3.3Å; C196-L200 WeakPolarHBondContact O-CB 3.22Å; C196-L200 WeakPolarHBondContact O-CD1 3.42Å; C196-L200 VanDerWaalsContact O-CG 3.26Å; C196-L200 WeakPolarHBondContact O-CG 3.19Å; C196-L200 PolarHBondContact O-N 2.86Å
197F95.6Very high92.9Very high0 Ų035.1 Ų35.10%019%0.189CC..Hα-helixtrans-60.3-49178.9-170.2-89.5000111.8L185 A188 A189 H193 L194 D195 L199 L200 L201 Y239 L242 L243L185-F197 HydrophobicContact CD1-CB 4.35Å; L185-F197 HydrophobicContact CD1-CD1 4.03Å; L185-F197 HydrophobicContact CD1-CD2 3.33Å; L185-F197 HydrophobicContact CD1-CE1 4.16Å; L185-F197 HydrophobicContact CD1-CE2 3.45Å; L185-F197 VanDerWaalsContact CD1-CE2 3.45Å; L185-F197 HydrophobicContact CD1-CG 3.64Å; L185-F197 HydrophobicContact CD1-CZ 3.88Å; L185-F197 WeakPolarHBondContact CD1-O 3.38Å; L185-F197 HydrophobicContact CD2-CE2 4.37Å; L185-F197 HydrophobicContact CD2-CZ 4.45Å; L185-F197 HydrophobicContact CG-CD2 3.84Å; L185-F197 HydrophobicContact CG-CE2 3.51Å; L185-F197 HydrophobicContact CG-CZ 4.03Å; L185-F197 VanDerWaalsContact O-CD2 3.27Å; L185-F197 WeakPolarHBondContact O-CD2 3.24Å; L185-F197 WeakPolarHBondContact O-CE2 3.37Å; A188-F197 HydrophobicContact CB-CB 3.97Å; A188-F197 HydrophobicContact CB-CD2 4.24Å; A189-F197 HydrophobicContact CB-CD2 3.91Å; A189-F197 HydrophobicContact CB-CE2 3.76Å; H193-F197 WeakPolarHBondContact O-CB 3.42Å; H193-F197 PolarHBondContact O-N 3.28Å; L194-F197 WeakPolarHBondContact O-CB 3.44Å; L194-F197 PolarHBondContact O-N 3.33Å; D195-F197 VanDerWaalsContact C-N 3.31Å; D195-F197 PolarHBondContact O-N 3.35Å; F197-L199 VanDerWaalsContact C-N 3.35Å; F197-L199 PolarHBondContact O-N 3.42Å; F197-L200 PolarHBondContact O-N 3.23Å; F197-L201 HydrophobicContact CD1-CD1 3.82Å; F197-L201 HydrophobicContact CE1-CD1 3.56Å; F197-L201 HydrophobicContact CE1-CG 4.43Å; F197-L201 HydrophobicContact CZ-CD1 4.44Å; F197-L201 WeakPolarHBondContact O-CG 3.44Å; F197-L201 PolarHBondContact O-N 2.7Å; F197-L201 VanDerWaalsContact O-N 3.16Å; F197-Y239 HydrophobicContact CB-CD1 4.13Å; F197-Y239 HydrophobicContact CB-CE1 3.74Å; F197-Y239 AromaticContact CD1-CD1 3.7Å; F197-Y239 HydrophobicContact CD1-CD1 3.7Å; F197-Y239 HydrophobicContact CD1-CE1 4.21Å; F197-Y239 AromaticContact CD2-CD1 3.68Å; F197-Y239 HydrophobicContact CD2-CD1 3.68Å; F197-Y239 AromaticContact CD2-CE1 3.85Å; F197-Y239 HydrophobicContact CD2-CE1 3.85Å; F197-Y239 AromaticContact CE1-CD1 3.93Å; F197-Y239 HydrophobicContact CE1-CD1 3.93Å; F197-Y239 AromaticContact CE2-CD1 3.94Å; F197-Y239 HydrophobicContact CE2-CD1 3.94Å; F197-Y239 AromaticContact CG-CD1 3.57Å; F197-Y239 HydrophobicContact CG-CD1 3.57Å; F197-Y239 AromaticContact CG-CE1 3.68Å; F197-Y239 HydrophobicContact CG-CE1 3.68Å; F197-Y239 HydrophobicContact CZ-CD1 4.04Å; F197-L242 HydrophobicContact CD1-CB 4.44Å; F197-L242 HydrophobicContact CD1-CD1 4.01Å; F197-L242 HydrophobicContact CE1-CB 4.17Å; F197-L243 HydrophobicContact CE1-CD2 4.03Å; F197-L243 HydrophobicContact CE1-CG 4Å; F197-L243 HydrophobicContact CZ-CD1 4.05Å; F197-L243 HydrophobicContact CZ-CD2 3.56Å; F197-L243 HydrophobicContact CZ-CG 3.67Å
198R95.6Very high92.7Very high95 Ų9535.3 Ų35.336%0.35819%0.19SC..Hα-helixtrans-59.7-45.4174.8-178.5-177.5-69.7150.8-3.9111.4L194 D195 L200 L201 L202 L242L194-R198 WeakPolarHBondContact O-CB 3.32Å; L194-R198 PolarHBondContact O-N 3.29Å; D195-R198 PolarHBondContact O-N 3.05Å; D195-R198 IonicContact OD1-NH1 3.65Å; R198-L200 PolarHBondContact O-N 3.13Å; R198-L201 PolarHBondContact O-N 3.49Å; R198-L202 HydrophobicContact CG-CD1 4.09Å; R198-L202 HydrophobicContact CG-CG 4.48Å; R198-L202 VanDerWaalsContact O-CG 3.32Å; R198-L202 WeakPolarHBondContact O-CG 3.31Å; R198-L202 PolarHBondContact O-N 3.12Å; R198-L242 HydrophobicContact CB-CD1 4Å; R198-L242 HydrophobicContact CG-CD2 4.29Å
199L95.3Very high92Very high20 Ų2038 Ų3811%0.10520%0.201CC..Hα-helixtrans-65.2-39.9-177.5-171.3139.8000111.8V152 L155 Q156 L159 D195 C196 F197 L202 H203V152-L199 HydrophobicContact CG1-CD1 4.31Å; L155-L199 HydrophobicContact CB-CD2 4.27Å; L155-L199 HydrophobicContact CD2-CD2 3.94Å; L155-L199 HydrophobicContact CG-CD2 3.68Å; Q156-L199 HydrophobicContact CB-CD1 3.73Å; Q156-L199 HydrophobicContact CG-CD1 4.05Å; L159-L199 HydrophobicContact CD1-CD2 3.31Å; L159-L199 HydrophobicContact CG-CD2 4.31Å; D195-L199 WeakPolarHBondContact O-CB 3.44Å; D195-L199 PolarHBondContact O-N 3.44Å; C196-L199 PolarHBondContact O-N 3.3Å; F197-L199 VanDerWaalsContact C-N 3.35Å; F197-L199 PolarHBondContact O-N 3.42Å; L199-L202 WeakPolarHBondContact O-CB 3.21Å; L199-L202 PolarHBondContact O-N 3.06Å; L199-H203 PolarHBondContact O-CD2 2.9Å; L199-H203 VanDerWaalsContact O-CD2 3.31Å; L199-H203 PolarHBondContact O-N 3.43Å
200L95Very high91.2Very high0 Ų038 Ų380%020%0.201CC..Hα-helixtrans-61.4-45.3173.6-74.3162.9000112.3V143 A147 L155 L159 A165 P184 L185 A188 C196 F197 R198 L202 H203 G204 A205V143-L200 HydrophobicContact CG1-CD2 4.18Å; A147-L200 HydrophobicContact CB-CD1 4.1Å; L155-L200 HydrophobicContact CD1-CD2 4.24Å; L155-L200 HydrophobicContact CD2-CD1 4.29Å; L155-L200 HydrophobicContact CD2-CD2 4.37Å; L155-L200 HydrophobicContact CD2-CG 4.01Å; L159-L200 HydrophobicContact CD1-CD2 4.01Å; A165-L200 HydrophobicContact CB-CD2 4.32Å; P184-L200 VanDerWaalsContact C-CD1 3.48Å; P184-L200 HydrophobicContact CB-CD1 3.66Å; P184-L200 HydrophobicContact CB-CD2 3.67Å; P184-L200 HydrophobicContact CB-CG 4.34Å; L185-L200 HydrophobicContact CB-CD1 4.39Å; L185-L200 HydrophobicContact CD1-CB 3.85Å; L185-L200 HydrophobicContact CD1-CD1 4.36Å; A188-L200 HydrophobicContact CB-CD1 4.19Å; C196-L200 WeakPolarHBondContact O-CB 3.22Å; C196-L200 WeakPolarHBondContact O-CD1 3.42Å; C196-L200 VanDerWaalsContact O-CG 3.26Å; C196-L200 WeakPolarHBondContact O-CG 3.19Å; C196-L200 PolarHBondContact O-N 2.86Å; F197-L200 PolarHBondContact O-N 3.23Å; R198-L200 PolarHBondContact O-N 3.13Å; L200-L202 VanDerWaalsContact C-N 3.3Å; L200-L202 PolarHBondContact O-N 2.91Å; L200-H203 CarbonylContact O-C 3.19Å; L200-H203 PolarHBondContact O-N 3.21Å; L200-H203 VanDerWaalsContact O-N 3.12Å; L200-G204 PolarHBondContact O-N 3.5Å; L200-A205 HydrophobicContact CB-CB 3.94Å; L200-A205 WeakPolarHBondContact O-CB 3.45Å; L200-A205 PolarHBondContact O-N 3.32Å
201L93.6Very high90.4Very high2 Ų236.7 Ų36.71%0.0119%0.193CC..Hα-helixtrans-61.2-39.6174.1-71.5173.1000111.9L185 F197 R198 H203 G204 P207 L242 F246L185-L201 HydrophobicContact CD1-CD2 4.21Å; L185-L201 HydrophobicContact CD1-CG 3.85Å; L185-L201 HydrophobicContact CD2-CD2 3.65Å; L185-L201 HydrophobicContact CD2-CG 4.23Å; F197-L201 HydrophobicContact CD1-CD1 3.82Å; F197-L201 HydrophobicContact CE1-CD1 3.56Å; F197-L201 HydrophobicContact CE1-CG 4.43Å; F197-L201 HydrophobicContact CZ-CD1 4.44Å; F197-L201 WeakPolarHBondContact O-CG 3.44Å; F197-L201 PolarHBondContact O-N 2.7Å; F197-L201 VanDerWaalsContact O-N 3.16Å; R198-L201 PolarHBondContact O-N 3.49Å; L201-H203 PolarHBondContact O-N 3.07Å; L201-G204 PolarHBondContact O-N 3.28Å; L201-G204 VanDerWaalsContact O-N 3.07Å; L201-P207 HydrophobicContact CD2-CB 3.93Å; L201-L242 HydrophobicContact CD1-CB 3.9Å; L201-F246 VanDerWaalsContact C-CE1 3.4Å; L201-F246 HydrophobicContact CB-CD1 3.71Å; L201-F246 HydrophobicContact CB-CD2 3.93Å; L201-F246 HydrophobicContact CB-CE1 3.68Å; L201-F246 HydrophobicContact CB-CE2 3.9Å; L201-F246 HydrophobicContact CB-CG 3.81Å; L201-F246 HydrophobicContact CB-CZ 3.77Å; L201-F246 HydrophobicContact CD1-CB 4.37Å; L201-F246 HydrophobicContact CD1-CD2 3.78Å; L201-F246 HydrophobicContact CD1-CE2 4.22Å; L201-F246 HydrophobicContact CD1-CG 4.07Å; L201-F246 HydrophobicContact CD2-CB 4.04Å; L201-F246 HydrophobicContact CD2-CD1 4.47Å; L201-F246 HydrophobicContact CD2-CG 4.17Å; L201-F246 HydrophobicContact CG-CD2 4.36Å; L201-F246 HydrophobicContact CG-CG 4.25Å; L201-F246 WeakPolarHBondContact O-CE1 3.43Å
202L92.2Very high89.4Confident45 Ų4535 Ų3524%0.23620%0.197CC..Hα-helixtrans-62.7-28175.7-74.6171.2000113R198 L199 L200 F246 R289 K315R198-L202 HydrophobicContact CG-CD1 4.09Å; R198-L202 HydrophobicContact CG-CG 4.48Å; R198-L202 VanDerWaalsContact O-CG 3.32Å; R198-L202 WeakPolarHBondContact O-CG 3.31Å; R198-L202 PolarHBondContact O-N 3.12Å; L199-L202 WeakPolarHBondContact O-CB 3.21Å; L199-L202 PolarHBondContact O-N 3.06Å; L200-L202 VanDerWaalsContact C-N 3.3Å; L200-L202 PolarHBondContact O-N 2.91Å; L202-F246 HydrophobicContact CD2-CE1 4.33Å; L202-F246 HydrophobicContact CD2-CZ 3.79Å; L202-F246 HydrophobicContact CG-CZ 4.06Å; L202-R289 VanDerWaalsContact C-NH2 3.3Å; L202-R289 VanDerWaalsContact CA-NH2 3.31Å; L202-R289 PolarHBondContact O-NH2 3.41Å; L202-K315 VanDerWaalsContact CD2-O 3.28Å; L202-K315 WeakPolarHBondContact CD2-O 3.44Å
203H91.8Very high88.3Confident36 Ų3636.3 Ų36.317%0.16719%0.192CC..THydrogen-bonded Turntrans-97.516.7175.8-78-94.6000113.6L159 A165 L199 L200 L201L159-H203 HydrophobicContact CB-CB 4.23Å; L159-H203 HydrophobicContact CD1-CB 3.64Å; L159-H203 HydrophobicContact CD2-CB 4.46Å; L159-H203 HydrophobicContact CG-CB 4.34Å; A165-H203 HydrophobicContact CB-CB 4.37Å; L199-H203 PolarHBondContact O-CD2 2.9Å; L199-H203 VanDerWaalsContact O-CD2 3.31Å; L199-H203 PolarHBondContact O-N 3.43Å; L200-H203 CarbonylContact O-C 3.19Å; L200-H203 PolarHBondContact O-N 3.21Å; L200-H203 VanDerWaalsContact O-N 3.12Å; L201-H203 PolarHBondContact O-N 3.07Å
204G90.2Very high87.2Confident24 Ų2441.5 Ų41.525%0.24722%0.217CC..THydrogen-bonded Turntrans85.323.5170.200000114.9N166 L200 L201 D206N166-G204 PolarHBondContact ND2-O 3.43Å; L200-G204 PolarHBondContact O-N 3.5Å; L201-G204 PolarHBondContact O-N 3.28Å; L201-G204 VanDerWaalsContact O-N 3.07Å; G204-D206 PolarHBondContact O-N 2.87Å
205A92.1Very high85.8Confident6 Ų641.3 Ų41.35%0.0523%0.225CC..  trans-57.5136.5164.700000110.3A165 N166 L185 L200 P207A165-A205 HydrophobicContact CB-CB 4.06Å; N166-A205 VanDerWaalsContact OD1-CA 3.31Å; N166-A205 WeakPolarHBondContact OD1-CA 3.26Å; L185-A205 HydrophobicContact CB-CB 4.34Å; L185-A205 HydrophobicContact CD1-CB 4.49Å; L185-A205 HydrophobicContact CD2-CB 3.95Å; L200-A205 HydrophobicContact CB-CB 3.94Å; L200-A205 WeakPolarHBondContact O-CB 3.45Å; L200-A205 PolarHBondContact O-N 3.32Å; A205-P207 WeakPolarHBondContact O-CD 3.48Å
206D89.8Confident84.4Confident41 Ų4139.4 Ų39.422%0.21922%0.215CC..  trans-68.6117.8176.8-175.9-34000108.9N166 L185 G204 D208 Y209 N210N166-D206 PolarHBondContact OD1-N 2.88Å; L185-D206 WeakPolarHBondContact CD2-O 3.41Å; G204-D206 PolarHBondContact O-N 2.87Å; D206-D208 PolarHBondContact O-N 2.98Å; D206-D208 WeakPolarHBondContact OD1-CB 3.28Å; D206-D208 PolarHBondContact OD1-N 3.14Å; D206-Y209 PolarHBondContact OD1-N 2.97Å; D206-N210 WeakPolarHBondContact O-CA 3.49Å; D206-N210 PolarHBondContact O-N 3.49Å
207P90.8Very high83.1Confident19 Ų1941.1 Ų41.112%0.12322%0.224CC..THydrogen-bonded Turntrans-72.6-13.8-175.333.3-38.5000113.4L201 A205 L243 F246 A248L201-P207 HydrophobicContact CD2-CB 3.93Å; A205-P207 WeakPolarHBondContact O-CD 3.48Å; P207-L243 HydrophobicContact CB-CD2 3.81Å; P207-L243 WeakPolarHBondContact O-CD2 3.34Å; P207-F246 HydrophobicContact CB-CB 4.4Å; P207-A248 HydrophobicContact CB-CB 4.05Å; P207-A248 HydrophobicContact CG-CB 4.43Å
208D86Confident81.9Confident33 Ų3345.3 Ų45.318%0.17626%0.258CS..THydrogen-bonded Turntrans-88.2-58.5-179.4-73.1-34.1000111.8D206 T225 L226 A248 N249D206-D208 PolarHBondContact O-N 2.98Å; D206-D208 WeakPolarHBondContact OD1-CB 3.28Å; D206-D208 PolarHBondContact OD1-N 3.14Å; D208-T225 CarbonylContact O-C 3.45Å; D208-T225 WeakPolarHBondContact O-CA 3.44Å; D208-L226 PolarHBondContact O-N 2.94Å; D208-A248 VanDerWaalsContact OD1-CA 3.31Å; D208-A248 WeakPolarHBondContact OD1-CA 3.48Å; D208-N249 PolarHBondContact OD1-N 3.23Å
209Y76.8Confident80.7Confident57 Ų5750.7 Ų50.722%0.22428%0.279CS..THydrogen-bonded Turntrans-121.2-11-171.7-58.3-71.5000113.6D206 C211 L217 P223 T225D206-Y209 PolarHBondContact OD1-N 2.97Å; Y209-C211 PolarHBondContact O-N 2.91Å; Y209-C211 VanDerWaalsContact O-N 3.13Å; Y209-L217 HydrophobicContact CD1-CD2 4.02Å; Y209-L217 HydrophobicContact CD2-CD1 3.95Å; Y209-L217 HydrophobicContact CD2-CD2 4.29Å; Y209-L217 HydrophobicContact CE2-CD1 4.48Å; Y209-L217 HydrophobicContact CG-CD1 4.27Å; Y209-L217 HydrophobicContact CG-CD2 3.82Å; Y209-P223 HydrophobicContact CD1-CB 4.14Å; Y209-P223 HydrophobicContact CE1-CB 3.93Å; Y209-P223 HydrophobicContact CE1-CG 3.97Å; Y209-T225 HydrophobicContact CE1-CG2 3.74Å
210N74.9Confident79.4Confident3 Ų351.2 Ų51.22%0.01628%0.283CS..SBendtrans50.236.6-172.5177.634.9000111.7G183 P184 L185 Y186 D206 L226G183-N210 WeakPolarHBondContact CA-ND2 3.46Å; G183-N210 PolarHBondContact O-ND2 3.16Å; P184-N210 VanDerWaalsContact N-ND2 3.19Å; L185-N210 WeakPolarHBondContact CA-ND2 3.31Å; L185-N210 HydrophobicContact CB-CB 3.84Å; L185-N210 VanDerWaalsContact CB-ND2 3.33Å; L185-N210 WeakPolarHBondContact CB-ND2 3.48Å; L185-N210 HydrophobicContact CD2-CB 4.38Å; L185-N210 PolarHBondContact N-ND2 2.96Å; Y186-N210 PolarHBondContact N-ND2 3.38Å; D206-N210 WeakPolarHBondContact O-CA 3.49Å; D206-N210 PolarHBondContact O-N 3.49Å; N210-L226 HydrophobicContact CB-CD1 3.9Å
211C71.1Confident77.7Confident21 Ų2157.4 Ų57.414%0.14232%0.323CS..  trans-159.5118.3-178.5177.10000107.9Y209Y209-C211 PolarHBondContact O-N 2.91Å; Y209-C211 VanDerWaalsContact O-N 3.13Å
212T70.3Confident76.4Confident97 Ų9767.9 Ų67.960%0.59536%0.362SS*.  trans-92.1-4.6178.3540000113Q214T212-Q214 PolarHBondContact O-N 3.5Å; T212-Q214 VanDerWaalsContact O-N 3.16Å
213D69.8Low75.3Confident77 Ų7767.3 Ų67.341%0.41236%0.361SS..  trans-76.2100.3-180-176.7-13.1000111.2G215 L216 L217D213-G215 VanDerWaalsContact C-N 3.26Å; D213-G215 PolarHBondContact O-N 2.93Å; D213-G215 WeakPolarHBondContact OD1-CA 3.32Å; D213-G215 PolarHBondContact OD1-N 3.43Å; D213-L216 HydrophobicContact CB-CB 4.12Å; D213-L216 PolarHBondContact O-N 3.25Å; D213-L216 PolarHBondContact OD1-N 3.11Å; D213-L216 VanDerWaalsContact OD1-N 3.1Å; D213-L217 WeakPolarHBondContact O-CG 3.39Å; D213-L217 PolarHBondContact O-N 3.25Å
214Q71Confident74.5Confident163 Ų16371 Ų7176%0.76237%0.374SS*.Hα-helixtrans-61.7-32177.6-63.9-178.4-2.400112.9T212 L217 A218T212-Q214 PolarHBondContact O-N 3.5Å; T212-Q214 VanDerWaalsContact O-N 3.16Å; Q214-L217 PolarHBondContact O-N 3.2Å; Q214-A218 WeakPolarHBondContact O-CB 3.47Å; Q214-A218 PolarHBondContact O-N 3.49Å
215G66.9Low74.2Confident41 Ų4170.1 Ų70.142%0.42336%0.363SS..Hα-helixtrans-69.5-34.9179.600000112.1D213 R219D213-G215 VanDerWaalsContact C-N 3.26Å; D213-G215 PolarHBondContact O-N 2.93Å; D213-G215 WeakPolarHBondContact OD1-CA 3.32Å; D213-G215 PolarHBondContact OD1-N 3.43Å; G215-R219 WeakPolarHBondContact O-CD 3.24Å; G215-R219 VanDerWaalsContact O-CG 3.24Å; G215-R219 WeakPolarHBondContact O-CG 3.47Å; G215-R219 PolarHBondContact O-N 3.01Å
216L67.5Low73.9Confident47 Ų4769.8 Ų69.825%0.24636%0.361CS..Hα-helixtrans-68.3-48.2172.1-168.2155.7000111.4K168 D213 A218 R219 V220K168-L216 HydrophobicContact CD-CD1 3.65Å; K168-L216 VanDerWaalsContact NZ-CD1 3.27Å; D213-L216 HydrophobicContact CB-CB 4.12Å; D213-L216 PolarHBondContact O-N 3.25Å; D213-L216 PolarHBondContact OD1-N 3.11Å; D213-L216 VanDerWaalsContact OD1-N 3.1Å; L216-A218 VanDerWaalsContact C-N 3.28Å; L216-A218 PolarHBondContact O-N 2.76Å; L216-R219 PolarHBondContact O-N 3.13Å; L216-R219 VanDerWaalsContact O-N 3.08Å; L216-V220 HydrophobicContact CD2-CG2 4.25Å; L216-V220 PolarHBondContact O-N 2.9Å
217L69.1Low73.8Confident37 Ų3767.9 Ų67.919%0.19435%0.351CS..Hα-helixtrans-60.1-39.1-179.9-67174000111.8Y209 D213 Q214 R219 V220 P223Y209-L217 HydrophobicContact CD1-CD2 4.02Å; Y209-L217 HydrophobicContact CD2-CD1 3.95Å; Y209-L217 HydrophobicContact CD2-CD2 4.29Å; Y209-L217 HydrophobicContact CE2-CD1 4.48Å; Y209-L217 HydrophobicContact CG-CD1 4.27Å; Y209-L217 HydrophobicContact CG-CD2 3.82Å; D213-L217 WeakPolarHBondContact O-CG 3.39Å; D213-L217 PolarHBondContact O-N 3.25Å; Q214-L217 PolarHBondContact O-N 3.2Å; L217-R219 VanDerWaalsContact C-N 3.28Å; L217-R219 PolarHBondContact O-N 3.35Å; L217-V220 PolarHBondContact O-N 2.84Å; L217-P223 HydrophobicContact CD2-CB 4.05Å; L217-P223 HydrophobicContact CD2-CG 4.36Å
218A70.4Confident73.5Confident87 Ų8767.8 Ų67.872%0.71935%0.348SS*.Hα-helixtrans-67-26.417700000113.8Q214 L216 V220Q214-A218 WeakPolarHBondContact O-CB 3.47Å; Q214-A218 PolarHBondContact O-N 3.49Å; L216-A218 VanDerWaalsContact C-N 3.28Å; L216-A218 PolarHBondContact O-N 2.76Å; A218-V220 VanDerWaalsContact C-N 3.33Å
219R70.5Confident73.3Confident208 Ų20866.6 Ų66.679%0.78534%0.342SS*.Hα-helixtrans-80-17.7177.9-72.2172.167.8172.33.9112.9G215 L216 L217G215-R219 WeakPolarHBondContact O-CD 3.24Å; G215-R219 VanDerWaalsContact O-CG 3.24Å; G215-R219 WeakPolarHBondContact O-CG 3.47Å; G215-R219 PolarHBondContact O-N 3.01Å; L216-R219 PolarHBondContact O-N 3.13Å; L216-R219 VanDerWaalsContact O-N 3.08Å; L217-R219 VanDerWaalsContact C-N 3.28Å; L217-R219 PolarHBondContact O-N 3.35Å
220V67.5Low73.7Confident31 Ų3163.9 Ų63.919%0.18833%0.331CS..SBendtrans-89.9119.3176.5-178.20000108A179 L216 L217 A218 R222 P223A179-V220 HydrophobicContact CB-CG1 3.65Å; L216-V220 HydrophobicContact CD2-CG2 4.25Å; L216-V220 PolarHBondContact O-N 2.9Å; L217-V220 PolarHBondContact O-N 2.84Å; A218-V220 VanDerWaalsContact C-N 3.33Å; V220-R222 PolarHBondContact O-N 3.19Å; V220-R222 VanDerWaalsContact O-N 3.12Å; V220-P223 HydrophobicContact CB-CB 4.32Å; V220-P223 HydrophobicContact CG1-CB 4.13Å
221P59.2Low74.1Confident130 Ų13065 Ų6584%0.84434%0.337SS*.SBendtrans-58.9-30.1-175.9-24.232.5000113.8
222R66.9Low74.5Confident223 Ų22369.1 Ų69.184%0.84235%0.354SS*.SBendtrans-15286.4176.6-65.6-172.7-179.6148.1-0110.3V220 R224V220-R222 PolarHBondContact O-N 3.19Å; V220-R222 VanDerWaalsContact O-N 3.12Å; R222-R224 PolarHBondContact O-N 3.28Å
223P69.2Low74.9Confident33 Ų3369.5 Ų69.521%0.21435%0.349CS..PPolyproline II helixtrans-68.3128175.328.3-32.1000109.1Y209 L217 V220Y209-P223 HydrophobicContact CD1-CB 4.14Å; Y209-P223 HydrophobicContact CE1-CB 3.93Å; Y209-P223 HydrophobicContact CE1-CG 3.97Å; L217-P223 HydrophobicContact CD2-CB 4.05Å; L217-P223 HydrophobicContact CD2-CG 4.36Å; V220-P223 HydrophobicContact CB-CB 4.32Å; V220-P223 HydrophobicContact CG1-CB 4.13Å
224R75.3Confident75.3Confident114 Ų11471.9 Ų71.943%0.4336%0.362SS..PPolyproline II helixtrans-75.9133174.5-67.1-168.7176.7-161.8-6.1109.7C181 R222 E228 I229 H232C181-R224 PolarHBondContact SG-O 3.05Å; R222-R224 PolarHBondContact O-N 3.28Å; R224-E228 VanDerWaalsContact CA-OE2 3.22Å; R224-E228 WeakPolarHBondContact CA-OE2 3.46Å; R224-E228 HydrophobicContact CB-CB 4.4Å; R224-E228 WeakPolarHBondContact CB-OE2 3.47Å; R224-E228 WeakPolarHBondContact CG-OE2 3.47Å; R224-I229 HydrophobicContact CB-CD1 4.29Å; R224-I229 HydrophobicContact CB-CG1 4.13Å; R224-H232 PolarHBondContact NH1-CD2 3.38Å; R224-H232 PolarHBondContact NH1-NE2 2.93Å
225T83.5Confident75.9Confident4 Ų465.1 Ų65.13%0.02533%0.332CS..PPolyproline II helixtrans-72159.4172.165.30000110.2D208 Y209 L227 E228 I229 L252D208-T225 CarbonylContact O-C 3.45Å; D208-T225 WeakPolarHBondContact O-CA 3.44Å; Y209-T225 HydrophobicContact CE1-CG2 3.74Å; T225-L227 PolarHBondContact O-N 3.37Å; T225-E228 WeakPolarHBondContact O-CB 3.46Å; T225-E228 PolarHBondContact O-N 3.38Å; T225-E228 VanDerWaalsContact O-N 3.13Å; T225-E228 WeakPolarHBondContact OG1-CG 3.48Å; T225-E228 PolarHBondContact OG1-N 3.39Å; T225-I229 WeakPolarHBondContact O-CG1 3.46Å; T225-I229 PolarHBondContact O-N 3.08Å; T225-L252 HydrophobicContact CG2-CD2 3.6Å; T225-L252 WeakPolarHBondContact OG1-CD2 3.35Å
226L85.4Confident76.9Confident0 Ų069 Ų690%034%0.339CS..Hα-helixtrans-61.5-32.6173-80170.8000112.2L185 Y186 D208 N210 I229 C230 L243L185-L226 HydrophobicContact CB-CD1 4.18Å; L185-L226 HydrophobicContact CD2-CD1 3.33Å; L185-L226 HydrophobicContact CG-CD1 3.72Å; Y186-L226 HydrophobicContact CD2-CD2 4.33Å; D208-L226 PolarHBondContact O-N 2.94Å; N210-L226 HydrophobicContact CB-CD1 3.9Å; L226-I229 HydrophobicContact CD2-CD1 4.36Å; L226-I229 PolarHBondContact O-N 2.94Å; L226-C230 WeakPolarHBondContact O-CB 3.44Å; L226-C230 PolarHBondContact O-N 3.35Å; L226-C230 PolarHBondContact O-SG 3.43Å; L226-L243 HydrophobicContact CB-CD1 3.94Å; L226-L243 HydrophobicContact CB-CD2 4.32Å; L226-L243 HydrophobicContact CD1-CD2 4.46Å
227L87.6Confident78Confident1 Ų168 Ų681%0.00534%0.336CS..Hα-helixtrans-60.4-45.7172.1-77.2171.7000111.6T225 I229 C230 L231 I240 L243 A248 N249 I250 L252 L270T225-L227 PolarHBondContact O-N 3.37Å; L227-I229 VanDerWaalsContact C-N 3.29Å; L227-I229 PolarHBondContact O-N 3.42Å; L227-C230 PolarHBondContact O-N 3.22Å; L227-L231 VanDerWaalsContact O-CG 3.3Å; L227-L231 WeakPolarHBondContact O-CG 3.27Å; L227-L231 PolarHBondContact O-N 3.44Å; L227-I240 HydrophobicContact CD2-CG2 4.04Å; L227-L243 HydrophobicContact CD2-CB 3.74Å; L227-L243 HydrophobicContact CD2-CD1 3.71Å; L227-L243 HydrophobicContact CD2-CG 4.39Å; L227-L243 HydrophobicContact CG-CB 4.24Å; L227-L243 HydrophobicContact CG-CD1 3.93Å; L227-A248 HydrophobicContact CD1-CB 3.77Å; L227-A248 HydrophobicContact CG-CB 4.16Å; L227-N249 WeakPolarHBondContact CD1-O 3.14Å; L227-I250 HydrophobicContact CD1-CG2 4.45Å; L227-L252 HydrophobicContact CB-CD1 3.77Å; L227-L252 HydrophobicContact CD1-CD1 4.32Å; L227-L270 HydrophobicContact CD1-CD1 4.25Å
228E83.6Confident79.2Confident16 Ų1670.5 Ų70.58%0.07535%0.346CS..Hα-helixtrans-60.6-41.4174.5-73.2171.4-164.600111.6R224 T225 L231 H232 L252 S254 L255R224-E228 VanDerWaalsContact CA-OE2 3.22Å; R224-E228 WeakPolarHBondContact CA-OE2 3.46Å; R224-E228 HydrophobicContact CB-CB 4.4Å; R224-E228 WeakPolarHBondContact CB-OE2 3.47Å; R224-E228 WeakPolarHBondContact CG-OE2 3.47Å; T225-E228 WeakPolarHBondContact O-CB 3.46Å; T225-E228 PolarHBondContact O-N 3.38Å; T225-E228 VanDerWaalsContact O-N 3.13Å; T225-E228 WeakPolarHBondContact OG1-CG 3.48Å; T225-E228 PolarHBondContact OG1-N 3.39Å; E228-L231 PolarHBondContact O-N 2.98Å; E228-H232 WeakPolarHBondContact O-CB 3.44Å; E228-H232 PolarHBondContact O-CD2 2.97Å; E228-H232 PolarHBondContact O-N 2.95Å; E228-L252 HydrophobicContact CG-CD1 4.18Å; E228-L252 HydrophobicContact CG-CD2 4.46Å; E228-S254 PolarHBondContact OE1-OG 2.9Å; E228-L255 HydrophobicContact CB-CD1 4.49Å; E228-L255 HydrophobicContact CG-CD1 3.59Å; E228-L255 HydrophobicContact CG-CG 4.43Å
229I81.8Confident80.3Confident8 Ų866.7 Ų66.74%0.04131%0.313CS..Hα-helixtrans-64.8-47.4179.9-66.8164.5000110.1C181 Y186 V190 R224 T225 L226 L227 L231 H232 H233C181-I229 HydrophobicContact CB-CD1 4.23Å; Y186-I229 HydrophobicContact CD2-CD1 3.6Å; Y186-I229 HydrophobicContact CD2-CG1 4.46Å; Y186-I229 HydrophobicContact CD2-CG2 3.75Å; Y186-I229 HydrophobicContact CE2-CD1 3.73Å; Y186-I229 HydrophobicContact CE2-CG1 4.28Å; Y186-I229 HydrophobicContact CE2-CG2 3.57Å; V190-I229 HydrophobicContact CG2-CG2 4.24Å; R224-I229 HydrophobicContact CB-CD1 4.29Å; R224-I229 HydrophobicContact CB-CG1 4.13Å; T225-I229 WeakPolarHBondContact O-CG1 3.46Å; T225-I229 PolarHBondContact O-N 3.08Å; L226-I229 HydrophobicContact CD2-CD1 4.36Å; L226-I229 PolarHBondContact O-N 2.94Å; L227-I229 VanDerWaalsContact C-N 3.29Å; L227-I229 PolarHBondContact O-N 3.42Å; I229-L231 VanDerWaalsContact C-N 3.29Å; I229-L231 PolarHBondContact O-N 3.41Å; I229-H232 PolarHBondContact O-N 2.89Å; I229-H233 WeakPolarHBondContact O-CB 3.47Å; I229-H233 PolarHBondContact O-CD2 2.84Å; I229-H233 VanDerWaalsContact O-CD2 3.28Å; I229-H233 PolarHBondContact O-N 3.3Å
230C86.6Confident81.3Confident0 Ų057 Ų570%028%0.277CS..Hα-helixtrans-59-40.9177.3-71.80000112.1L226 L227 N234 C235 I240L226-C230 WeakPolarHBondContact O-CB 3.44Å; L226-C230 PolarHBondContact O-N 3.35Å; L226-C230 PolarHBondContact O-SG 3.43Å; L227-C230 PolarHBondContact O-N 3.22Å; C230-N234 PolarHBondContact O-N 3.16Å; C230-C235 HydrophobicContact CB-CB 3.99Å; C230-C235 WeakPolarHBondContact O-CB 3.39Å; C230-C235 PolarHBondContact O-N 3.06Å; C230-I240 HydrophobicContact CB-CG1 4.12Å
231L83Confident82.5Confident26 Ų2658.8 Ų58.814%0.13628%0.283CS..Hα-helixtrans-67.5-44175.4-68.9169.6000111.9L227 E228 I229 H233 N234 I240 L255 I267 L270L227-L231 VanDerWaalsContact O-CG 3.3Å; L227-L231 WeakPolarHBondContact O-CG 3.27Å; L227-L231 PolarHBondContact O-N 3.44Å; E228-L231 PolarHBondContact O-N 2.98Å; I229-L231 VanDerWaalsContact C-N 3.29Å; I229-L231 PolarHBondContact O-N 3.41Å; L231-H233 PolarHBondContact O-N 3.13Å; L231-N234 PolarHBondContact O-N 3.45Å; L231-I240 HydrophobicContact CD2-CD1 3.67Å; L231-I240 HydrophobicContact CG-CD1 4.31Å; L231-L255 HydrophobicContact CD1-CD1 3.83Å; L231-L255 HydrophobicContact CD1-CD2 4.36Å; L231-I267 HydrophobicContact CD2-CG1 3.88Å; L231-L270 HydrophobicContact CD1-CD2 4.45Å
232H79.9Confident84.2Confident109 Ų10953.2 Ų53.251%0.50525%0.246SC..Hα-helixtrans-67.4-34.3179.9-83.5-60.3000113.9R224 E228 I229 N234R224-H232 PolarHBondContact NH1-CD2 3.38Å; R224-H232 PolarHBondContact NH1-NE2 2.93Å; E228-H232 WeakPolarHBondContact O-CB 3.44Å; E228-H232 PolarHBondContact O-CD2 2.97Å; E228-H232 PolarHBondContact O-N 2.95Å; I229-H232 PolarHBondContact O-N 2.89Å; H232-N234 VanDerWaalsContact C-N 3.32Å
233H78.7Confident85.5Confident105 Ų10542.6 Ų42.649%0.48621%0.206SC..THydrogen-bonded Turntrans-927.1179-72.4-78.8000113.1I229 L231 C235I229-H233 WeakPolarHBondContact O-CB 3.47Å; I229-H233 PolarHBondContact O-CD2 2.84Å; I229-H233 VanDerWaalsContact O-CD2 3.28Å; I229-H233 PolarHBondContact O-N 3.3Å; L231-H233 PolarHBondContact O-N 3.13Å; H233-C235 PolarHBondContact O-N 3.31Å
234N76.9Confident86.6Confident126 Ų12641.9 Ų41.967%0.67420%0.201SC*.THydrogen-bonded Turntrans53.938.3178.2-144.791.2000112.4C230 L231 H232C230-N234 PolarHBondContact O-N 3.16Å; L231-N234 PolarHBondContact O-N 3.45Å; H232-N234 VanDerWaalsContact C-N 3.32Å
235C83.6Confident87.4Confident21 Ų2138.4 Ų38.414%0.14219%0.191CC..  trans-61153177.6-65.50000110.5C230 H233 Y239C230-C235 HydrophobicContact CB-CB 3.99Å; C230-C235 WeakPolarHBondContact O-CB 3.39Å; C230-C235 PolarHBondContact O-N 3.06Å; H233-C235 PolarHBondContact O-N 3.31Å; C235-Y239 HydrophobicContact CB-CD2 3.93Å; C235-Y239 HydrophobicContact CB-CG 4.21Å
236E89.1Confident87.9Confident124 Ų12439.3 Ų39.358%0.57919%0.194SC*.  trans-54.6144.9175.9-65.1-61.1147.800111.8E238 Y239E236-E238 WeakPolarHBondContact CB-OE2 3.44Å; E236-E238 PolarHBondContact O-N 2.9Å; E236-Y239 HydrophobicContact CB-CD2 4.02Å; E236-Y239 HydrophobicContact CB-CE2 4.17Å; E236-Y239 WeakPolarHBondContact O-CD2 3.32Å; E236-Y239 PolarHBondContact O-N 3.47Å
237P90.8Very high88.1Confident26 Ų2640.6 Ų40.617%0.16921%0.207CC..Hα-helixtrans-60-22.3-175.624.6-33.9000113.1Y239 I240 Q241 K265 L269P237-Y239 VanDerWaalsContact C-N 3.27Å; P237-Y239 PolarHBondContact O-N 3.46Å; P237-I240 PolarHBondContact O-N 3.26Å; P237-I240 VanDerWaalsContact O-N 3.16Å; P237-Q241 PolarHBondContact O-N 2.9Å; P237-K265 HydrophobicContact CB-CB 4.13Å; P237-K265 HydrophobicContact CG-CB 4.31Å; P237-L269 HydrophobicContact CB-CD1 3.93Å
238E93.1Very high88.3Confident89 Ų8940.6 Ų40.642%0.41621%0.208SC..Hα-helixtrans-59.3-33.6174.8-70.373.1-165.700112.6L194 E236 Q241 L242L194-E238 HydrophobicContact CD1-CB 4Å; L194-E238 HydrophobicContact CD2-CB 3.93Å; L194-E238 HydrophobicContact CD2-CG 4.34Å; E236-E238 WeakPolarHBondContact CB-OE2 3.44Å; E236-E238 PolarHBondContact O-N 2.9Å; E238-Q241 PolarHBondContact O-N 3.29Å; E238-L242 WeakPolarHBondContact O-CB 3.4Å; E238-L242 VanDerWaalsContact O-CG 3.28Å; E238-L242 WeakPolarHBondContact O-CG 3.39Å; E238-L242 PolarHBondContact O-N 2.94Å
239Y93.1Very high88.5Confident7 Ų743 Ų433%0.02722%0.221CC..Hα-helixtrans-64.6-45.4174.9-72.3-90.8000111A189 G192 H193 L194 F197 C235 E236 P237 L242 L243A189-Y239 HydrophobicContact CB-CD1 4.21Å; A189-Y239 HydrophobicContact CB-CE1 4.26Å; G192-Y239 VanDerWaalsContact CA-OH 3.26Å; G192-Y239 WeakPolarHBondContact CA-OH 3.27Å; G192-Y239 PolarHBondContact O-OH 2.86Å; G192-Y239 VanDerWaalsContact O-OH 3.11Å; H193-Y239 VanDerWaalsContact C-OH 3.3Å; H193-Y239 PolarHBondContact N-OH 3.48Å; H193-Y239 VanDerWaalsContact N-OH 3.12Å; L194-Y239 VanDerWaalsContact CA-OH 3.28Å; L194-Y239 WeakPolarHBondContact CA-OH 3.35Å; L194-Y239 HydrophobicContact CB-CE1 4.49Å; L194-Y239 HydrophobicContact CB-CE2 4.28Å; L194-Y239 HydrophobicContact CD1-CD1 4.08Å; L194-Y239 HydrophobicContact CD1-CD2 3.96Å; L194-Y239 HydrophobicContact CD1-CE1 3.97Å; L194-Y239 HydrophobicContact CD1-CE2 3.84Å; L194-Y239 HydrophobicContact CD1-CG 4.07Å; L194-Y239 PolarHBondContact N-OH 3.21Å; F197-Y239 HydrophobicContact CB-CD1 4.13Å; F197-Y239 HydrophobicContact CB-CE1 3.74Å; F197-Y239 AromaticContact CD1-CD1 3.7Å; F197-Y239 HydrophobicContact CD1-CD1 3.7Å; F197-Y239 HydrophobicContact CD1-CE1 4.21Å; F197-Y239 AromaticContact CD2-CD1 3.68Å; F197-Y239 HydrophobicContact CD2-CD1 3.68Å; F197-Y239 AromaticContact CD2-CE1 3.85Å; F197-Y239 HydrophobicContact CD2-CE1 3.85Å; F197-Y239 AromaticContact CE1-CD1 3.93Å; F197-Y239 HydrophobicContact CE1-CD1 3.93Å; F197-Y239 AromaticContact CE2-CD1 3.94Å; F197-Y239 HydrophobicContact CE2-CD1 3.94Å; F197-Y239 AromaticContact CG-CD1 3.57Å; F197-Y239 HydrophobicContact CG-CD1 3.57Å; F197-Y239 AromaticContact CG-CE1 3.68Å; F197-Y239 HydrophobicContact CG-CE1 3.68Å; F197-Y239 HydrophobicContact CZ-CD1 4.04Å; C235-Y239 HydrophobicContact CB-CD2 3.93Å; C235-Y239 HydrophobicContact CB-CG 4.21Å; E236-Y239 HydrophobicContact CB-CD2 4.02Å; E236-Y239 HydrophobicContact CB-CE2 4.17Å; E236-Y239 WeakPolarHBondContact O-CD2 3.32Å; E236-Y239 PolarHBondContact O-N 3.47Å; P237-Y239 VanDerWaalsContact C-N 3.27Å; P237-Y239 PolarHBondContact O-N 3.46Å; Y239-L242 PolarHBondContact O-N 2.74Å; Y239-L243 VanDerWaalsContact O-CG 3.3Å; Y239-L243 WeakPolarHBondContact O-CG 3.19Å; Y239-L243 PolarHBondContact O-N 3.07Å
240I91.8Very high88.7Confident3 Ų343.4 Ų43.42%0.01522%0.223CC..Hα-helixtrans-65.3-43.9179.2-64.6165.7000109.6L227 C230 L231 P237 L242 L243 I244 L269L227-I240 HydrophobicContact CD2-CG2 4.04Å; C230-I240 HydrophobicContact CB-CG1 4.12Å; L231-I240 HydrophobicContact CD2-CD1 3.67Å; L231-I240 HydrophobicContact CG-CD1 4.31Å; P237-I240 PolarHBondContact O-N 3.26Å; P237-I240 VanDerWaalsContact O-N 3.16Å; I240-L242 PolarHBondContact O-N 2.89Å; I240-L243 PolarHBondContact O-N 3.16Å; I240-I244 HydrophobicContact CG2-CD1 3.82Å; I240-I244 HydrophobicContact CG2-CG1 4.48Å; I240-I244 VanDerWaalsContact O-CG1 3.27Å; I240-I244 WeakPolarHBondContact O-CG1 3.48Å; I240-I244 PolarHBondContact O-N 3.38Å; I240-L269 HydrophobicContact CG2-CB 4.43Å
241Q93.3Very high88.4Confident70 Ų7050.4 Ų50.433%0.32725%0.25SS..Hα-helixtrans-59.2-46.3175.7-175.356.343.800111.5P237 E238 I244 D245 L269P237-Q241 PolarHBondContact O-N 2.9Å; E238-Q241 PolarHBondContact O-N 3.29Å; Q241-I244 PolarHBondContact O-N 3.41Å; Q241-D245 PolarHBondContact NE2-OD2 3.14Å; Q241-D245 VanDerWaalsContact O-CB 3.3Å; Q241-D245 WeakPolarHBondContact O-CB 3.48Å; Q241-D245 PolarHBondContact O-N 3.27Å; Q241-L269 HydrophobicContact CB-CD1 4.22Å
242L94.7Very high88Confident13 Ų1349.6 Ų49.67%0.06825%0.246CC..Hα-helixtrans-60.6-47176-77.1172.2000111.6L194 F197 R198 L201 E238 Y239 I240 I244 D245 F246L194-L242 HydrophobicContact CD1-CD1 3.7Å; F197-L242 HydrophobicContact CD1-CB 4.44Å; F197-L242 HydrophobicContact CD1-CD1 4.01Å; F197-L242 HydrophobicContact CE1-CB 4.17Å; R198-L242 HydrophobicContact CB-CD1 4Å; R198-L242 HydrophobicContact CG-CD2 4.29Å; L201-L242 HydrophobicContact CD1-CB 3.9Å; E238-L242 WeakPolarHBondContact O-CB 3.4Å; E238-L242 VanDerWaalsContact O-CG 3.28Å; E238-L242 WeakPolarHBondContact O-CG 3.39Å; E238-L242 PolarHBondContact O-N 2.94Å; Y239-L242 PolarHBondContact O-N 2.74Å; I240-L242 PolarHBondContact O-N 2.89Å; L242-I244 VanDerWaalsContact C-N 3.33Å; L242-I244 PolarHBondContact O-N 2.89Å; L242-D245 PolarHBondContact O-N 2.95Å; L242-D245 VanDerWaalsContact O-N 3.15Å; L242-F246 HydrophobicContact CD2-CD2 4.48Å; L242-F246 HydrophobicContact CD2-CE2 4.09Å; L242-F246 WeakPolarHBondContact O-CB 3.33Å; L242-F246 VanDerWaalsContact O-CD2 3.27Å; L242-F246 WeakPolarHBondContact O-CD2 3.33Å; L242-F246 PolarHBondContact O-N 3.34Å
243L93.6Very high87.2Confident0 Ų050.8 Ų50.80%026%0.263CS..Hα-helixtrans-57.6-46.3177.1-73.8177.3000111.7F197 P207 L226 L227 Y239 I240 D245 F246 G247 A248F197-L243 HydrophobicContact CE1-CD2 4.03Å; F197-L243 HydrophobicContact CE1-CG 4Å; F197-L243 HydrophobicContact CZ-CD1 4.05Å; F197-L243 HydrophobicContact CZ-CD2 3.56Å; F197-L243 HydrophobicContact CZ-CG 3.67Å; P207-L243 HydrophobicContact CB-CD2 3.81Å; P207-L243 WeakPolarHBondContact O-CD2 3.34Å; L226-L243 HydrophobicContact CB-CD1 3.94Å; L226-L243 HydrophobicContact CB-CD2 4.32Å; L226-L243 HydrophobicContact CD1-CD2 4.46Å; L227-L243 HydrophobicContact CD2-CB 3.74Å; L227-L243 HydrophobicContact CD2-CD1 3.71Å; L227-L243 HydrophobicContact CD2-CG 4.39Å; L227-L243 HydrophobicContact CG-CB 4.24Å; L227-L243 HydrophobicContact CG-CD1 3.93Å; Y239-L243 VanDerWaalsContact O-CG 3.3Å; Y239-L243 WeakPolarHBondContact O-CG 3.19Å; Y239-L243 PolarHBondContact O-N 3.07Å; I240-L243 PolarHBondContact O-N 3.16Å; L243-D245 PolarHBondContact O-N 3.38Å; L243-F246 PolarHBondContact O-N 3.32Å; L243-G247 PolarHBondContact O-N 3.32Å; L243-G247 VanDerWaalsContact O-N 3.16Å; L243-A248 HydrophobicContact CB-CB 3.9Å; L243-A248 WeakPolarHBondContact O-CB 3.31Å; L243-A248 PolarHBondContact O-N 3.22Å
244I92.3Very high86.4Confident18 Ų1849.4 Ų49.49%0.09227%0.266CS..Hα-helixtrans-59.1-49.8174.6-67.5165.2000109.8I240 Q241 L242 F246 G247 I250 L269 A273 R278I240-I244 HydrophobicContact CG2-CD1 3.82Å; I240-I244 HydrophobicContact CG2-CG1 4.48Å; I240-I244 VanDerWaalsContact O-CG1 3.27Å; I240-I244 WeakPolarHBondContact O-CG1 3.48Å; I240-I244 PolarHBondContact O-N 3.38Å; Q241-I244 PolarHBondContact O-N 3.41Å; L242-I244 VanDerWaalsContact C-N 3.33Å; L242-I244 PolarHBondContact O-N 2.89Å; I244-F246 VanDerWaalsContact C-N 3.26Å; I244-F246 PolarHBondContact O-N 2.7Å; I244-G247 PolarHBondContact O-N 3.05Å; I244-G247 VanDerWaalsContact O-N 3.07Å; I244-I250 HydrophobicContact CG1-CG2 4.01Å; I244-L269 HydrophobicContact CD1-CB 4.36Å; I244-A273 HydrophobicContact CD1-CB 3.99Å; I244-A273 HydrophobicContact CG1-CB 4.43Å; I244-A273 HydrophobicContact CG2-CB 4Å; I244-R278 PolarHBondContact O-NH1 3.08Å; I244-R278 PolarHBondContact O-NH2 3.08Å
245D92.8Very high85.9Confident41 Ų4145.5 Ų45.522%0.21925%0.245CC..Hα-helixtrans-60.6-33.5-177.6-93-45.3000113.9Q241 L242 L243 R285Q241-D245 PolarHBondContact NE2-OD2 3.14Å; Q241-D245 VanDerWaalsContact O-CB 3.3Å; Q241-D245 WeakPolarHBondContact O-CB 3.48Å; Q241-D245 PolarHBondContact O-N 3.27Å; L242-D245 PolarHBondContact O-N 2.95Å; L242-D245 VanDerWaalsContact O-N 3.15Å; L243-D245 PolarHBondContact O-N 3.38Å; D245-R285 PolarHBondContact O-NH2 3.13Å; D245-R285 IonicContact OD1-CZ 3.46Å; D245-R285 IonicContact OD1-NH1 3.47Å; D245-R285 IonicContact OD1-NH2 2.8Å; D245-R285 PolarHBondContact OD1-NH2 3.3Å
246F93.5Very high84.7Confident23 Ų2349.5 Ų49.510%0.10127%0.273CS..THydrogen-bonded Turntrans-90.53.3178.3-81.9-93.6000114.4L201 L202 P207 L242 L243 I244 L286 H316L201-F246 VanDerWaalsContact C-CE1 3.4Å; L201-F246 HydrophobicContact CB-CD1 3.71Å; L201-F246 HydrophobicContact CB-CD2 3.93Å; L201-F246 HydrophobicContact CB-CE1 3.68Å; L201-F246 HydrophobicContact CB-CE2 3.9Å; L201-F246 HydrophobicContact CB-CG 3.81Å; L201-F246 HydrophobicContact CB-CZ 3.77Å; L201-F246 HydrophobicContact CD1-CB 4.37Å; L201-F246 HydrophobicContact CD1-CD2 3.78Å; L201-F246 HydrophobicContact CD1-CE2 4.22Å; L201-F246 HydrophobicContact CD1-CG 4.07Å; L201-F246 HydrophobicContact CD2-CB 4.04Å; L201-F246 HydrophobicContact CD2-CD1 4.47Å; L201-F246 HydrophobicContact CD2-CG 4.17Å; L201-F246 HydrophobicContact CG-CD2 4.36Å; L201-F246 HydrophobicContact CG-CG 4.25Å; L201-F246 WeakPolarHBondContact O-CE1 3.43Å; L202-F246 HydrophobicContact CD2-CE1 4.33Å; L202-F246 HydrophobicContact CD2-CZ 3.79Å; L202-F246 HydrophobicContact CG-CZ 4.06Å; P207-F246 HydrophobicContact CB-CB 4.4Å; L242-F246 HydrophobicContact CD2-CD2 4.48Å; L242-F246 HydrophobicContact CD2-CE2 4.09Å; L242-F246 WeakPolarHBondContact O-CB 3.33Å; L242-F246 VanDerWaalsContact O-CD2 3.27Å; L242-F246 WeakPolarHBondContact O-CD2 3.33Å; L242-F246 PolarHBondContact O-N 3.34Å; L243-F246 PolarHBondContact O-N 3.32Å; I244-F246 VanDerWaalsContact C-N 3.26Å; I244-F246 PolarHBondContact O-N 2.7Å; F246-L286 WeakPolarHBondContact O-CD2 3.27Å; F246-H316 AromaticContact CD2-CE1 3.68Å; F246-H316 AromaticContact CE1-NE2 3.74Å; F246-H316 AromaticContact CE2-CD2 3.84Å; F246-H316 AromaticContact CE2-CE1 3.44Å; F246-H316 VanDerWaalsContact CE2-CE1 3.44Å; F246-H316 WeakPolarHBondContact CE2-CE1 3.4Å; F246-H316 AromaticContact CE2-CG 3.8Å; F246-H316 AromaticContact CE2-ND1 3.56Å; F246-H316 AromaticContact CE2-NE2 3.66Å; F246-H316 AromaticContact CZ-CD2 3.46Å; F246-H316 VanDerWaalsContact CZ-CD2 3.46Å; F246-H316 WeakPolarHBondContact CZ-CD2 3.49Å; F246-H316 AromaticContact CZ-CE1 3.77Å; F246-H316 AromaticContact CZ-CG 3.82Å; F246-H316 AromaticContact CZ-NE2 3.48Å; F246-H316 WeakPolarHBondContact CZ-NE2 3.47Å
247G91.3Very high83.4Confident26 Ų2645.5 Ų45.527%0.26826%0.255SS..THydrogen-bonded Turntrans100.913.9167.900000115.6L243 I244 R278L243-G247 PolarHBondContact O-N 3.32Å; L243-G247 VanDerWaalsContact O-N 3.16Å; I244-G247 PolarHBondContact O-N 3.05Å; I244-G247 VanDerWaalsContact O-N 3.07Å; G247-R278 VanDerWaalsContact CA-NH2 3.31Å
248A91.4Very high81.7Confident2 Ų250.6 Ų50.62%0.01728%0.281CS..  trans-52.4143.8176.200000111.6P207 D208 L227 L243 I250P207-A248 HydrophobicContact CB-CB 4.05Å; P207-A248 HydrophobicContact CG-CB 4.43Å; D208-A248 VanDerWaalsContact OD1-CA 3.31Å; D208-A248 WeakPolarHBondContact OD1-CA 3.48Å; L227-A248 HydrophobicContact CD1-CB 3.77Å; L227-A248 HydrophobicContact CG-CB 4.16Å; L243-A248 HydrophobicContact CB-CB 3.9Å; L243-A248 WeakPolarHBondContact O-CB 3.31Å; L243-A248 PolarHBondContact O-N 3.22Å; A248-I250 PolarHBondContact O-N 3.23Å; A248-I250 VanDerWaalsContact O-N 3.08Å
249N87.4Confident79.7Confident67 Ų6753.3 Ų53.336%0.35830%0.297SS..  trans-67.3103.2171.1179.818.3000110.2D208 L227 Y251D208-N249 PolarHBondContact OD1-N 3.23Å; L227-N249 WeakPolarHBondContact CD1-O 3.14Å; N249-Y251 VanDerWaalsContact C-N 3.26Å; N249-Y251 PolarHBondContact ND2-O 3.23Å; N249-Y251 PolarHBondContact O-N 2.89Å; N249-Y251 PolarHBondContact OD1-N 3.38Å
250I85.4Confident77.6Confident15 Ų1559.4 Ų59.48%0.07734%0.335CS..  trans-75.3-12.5178.860.3174.7000113.6L227 I244 A248 L252 L270 A273 R274L227-I250 HydrophobicContact CD1-CG2 4.45Å; I244-I250 HydrophobicContact CG1-CG2 4.01Å; A248-I250 PolarHBondContact O-N 3.23Å; A248-I250 VanDerWaalsContact O-N 3.08Å; I250-L252 PolarHBondContact O-N 3.21Å; I250-L270 HydrophobicContact CB-CD1 3.83Å; I250-L270 HydrophobicContact CG2-CD1 3.92Å; I250-A273 HydrophobicContact CD1-CB 4.17Å; I250-A273 VanDerWaalsContact CD1-O 3.28Å; I250-A273 WeakPolarHBondContact CD1-O 3.3Å; I250-A273 HydrophobicContact CG2-CB 4.43Å; I250-R274 HydrophobicContact CB-CG 4.47Å; I250-R274 HydrophobicContact CD1-CG 3.94Å; I250-R274 HydrophobicContact CG1-CG 4.27Å; I250-R274 VanDerWaalsContact O-CZ 3.24Å; I250-R274 PolarHBondContact O-NE 3.11Å; I250-R274 PolarHBondContact O-NH2 3.16Å
251Y81.3Confident75.8Confident148 Ų14862.5 Ų62.558%0.5836%0.358SS*.  trans-90.199.1178.6-62.6-76.6000109.5N249 P253 R274N249-Y251 VanDerWaalsContact C-N 3.26Å; N249-Y251 PolarHBondContact ND2-O 3.23Å; N249-Y251 PolarHBondContact O-N 2.89Å; N249-Y251 PolarHBondContact OD1-N 3.38Å; Y251-P253 WeakPolarHBondContact O-CD 3.34Å; Y251-R274 HydrophobicContact CE1-CG 4.43Å
252L74.6Confident73.8Confident8 Ų868.4 Ų68.44%0.04239%0.385CS..  trans-109.7102.6-175.9-58.1171.4000108T225 L227 E228 I250 S254 L255 L270T225-L252 HydrophobicContact CG2-CD2 3.6Å; T225-L252 WeakPolarHBondContact OG1-CD2 3.35Å; L227-L252 HydrophobicContact CB-CD1 3.77Å; L227-L252 HydrophobicContact CD1-CD1 4.32Å; E228-L252 HydrophobicContact CG-CD1 4.18Å; E228-L252 HydrophobicContact CG-CD2 4.46Å; I250-L252 PolarHBondContact O-N 3.21Å; L252-S254 PolarHBondContact O-N 3.16Å; L252-L255 HydrophobicContact CB-CB 4.25Å; L252-L255 HydrophobicContact CB-CD1 3.88Å; L252-L255 HydrophobicContact CD1-CD1 3.44Å; L252-L255 VanDerWaalsContact CD1-CD1 3.44Å; L252-L255 HydrophobicContact CG-CD1 4.28Å; L252-L255 PolarHBondContact O-N 3.38Å; L252-L270 HydrophobicContact CD1-CD2 4.41Å
253P63.2Low71.9Confident134 Ų13475 Ų7587%0.8742%0.421SS*.THydrogen-bonded Turntrans-67.9-22.6-174.5-18.130.7000113.8Y251Y251-P253 WeakPolarHBondContact O-CD 3.34Å
254S62.3Low71.1Confident77 Ų7777.2 Ų77.254%0.53843%0.433SS..THydrogen-bonded Turntrans-78.9-19.1-177.547.20000113.9E228 L252E228-S254 PolarHBondContact OE1-OG 2.9Å; L252-S254 PolarHBondContact O-N 3.16Å
255L64.9Low70.6Confident44 Ų4483.7 Ų83.723%0.2346%0.46CS..  trans-99.3101.4-176.2-92.3152.5000110.3E228 L231 L252 L257E228-L255 HydrophobicContact CB-CD1 4.49Å; E228-L255 HydrophobicContact CG-CD1 3.59Å; E228-L255 HydrophobicContact CG-CG 4.43Å; L231-L255 HydrophobicContact CD1-CD1 3.83Å; L231-L255 HydrophobicContact CD1-CD2 4.36Å; L252-L255 HydrophobicContact CB-CB 4.25Å; L252-L255 HydrophobicContact CB-CD1 3.88Å; L252-L255 HydrophobicContact CD1-CD1 3.44Å; L252-L255 VanDerWaalsContact CD1-CD1 3.44Å; L252-L255 HydrophobicContact CG-CD1 4.28Å; L252-L255 PolarHBondContact O-N 3.38Å; L255-L257 PolarHBondContact O-N 3.43Å; L255-L257 VanDerWaalsContact O-N 3.15Å
256S59.7Low70.1Confident104 Ų10481.8 Ų81.873%0.72745%0.45SS*.  trans-69.9102.7161.4-61.30000108.1D258S256-D258 PolarHBondContact O-N 3.01Å
257L61.8Low69.7Low40 Ų4082.8 Ų82.821%0.20946%0.456CS..  trans-7659.2172.6-63.3178.6000109.9L255 L259 I267 L271L255-L257 PolarHBondContact O-N 3.43Å; L255-L257 VanDerWaalsContact O-N 3.15Å; L257-L259 PolarHBondContact O-N 2.76Å; L257-I267 HydrophobicContact CD2-CG2 4.09Å; L257-L271 HydrophobicContact CD1-CD2 3.52Å; L257-L271 HydrophobicContact CD1-CG 4.2Å
258D54.1Low69.4Low133 Ų13384.1 Ų84.171%0.71146%0.464SS*.  trans-73.6110.8170.2-84.7-20000108S256 T260S256-D258 PolarHBondContact O-N 3.01Å; D258-T260 PolarHBondContact O-N 3.39Å; D258-T260 PolarHBondContact O-OG1 3.12Å
259L52.4Low69.2Low146 Ų14686 Ų8676%0.76447%0.474SS*.  trans-5847.6-171.7-71148.2000115.8L257 L271L257-L259 PolarHBondContact O-N 2.76Å; L259-L271 HydrophobicContact CD2-CD1 4.35Å
260T47.8Very low69.2Low135 Ų13582.8 Ų82.883%0.82846%0.457SS*.  trans-93.5-14.7-173.452.60000114.6D258D258-T260 PolarHBondContact O-N 3.39Å; D258-T260 PolarHBondContact O-OG1 3.12Å
261S54.2Low69.2Low69 Ų6985.2 Ų85.248%0.48347%0.47SS..  trans-120.895.5170.858.30000110.3D263S261-D263 PolarHBondContact O-N 3.26Å
262Q51.5Low69.5Low193 Ų19384 Ų8490%0.90247%0.469SS*.THydrogen-bonded Turntrans-63.2-3174.7-75.8-163.1-27.700114
263D54.9Low70.1Confident153 Ų15384.6 Ų84.682%0.81848%0.475SS*.THydrogen-bonded Turntrans-105.9-0.2-171.2-65.9-33.3000115.3S261 K265S261-D263 PolarHBondContact O-N 3.26Å; D263-K265 PolarHBondContact O-N 3.14Å
264D76.1Confident71.2Confident46 Ų4681.4 Ų81.425%0.24645%0.446CS..  trans-88.296.8177.7-165.8-14.1000111.3G266 I267 A268D264-G266 PolarHBondContact O-N 3.1Å; D264-G266 VanDerWaalsContact O-N 3.14Å; D264-G266 PolarHBondContact OD1-N 3.38Å; D264-I267 HydrophobicContact CB-CB 4.26Å; D264-I267 HydrophobicContact CB-CD1 3.9Å; D264-I267 HydrophobicContact CB-CG1 4.01Å; D264-I267 PolarHBondContact O-N 3.01Å; D264-I267 VanDerWaalsContact O-N 3.09Å; D264-A268 PolarHBondContact O-N 3.49Å; D264-A268 VanDerWaalsContact O-N 3.14Å
265K82.5Confident72.3Confident154 Ų15481.6 Ų81.667%0.6745%0.452SS*.Hα-helixtrans-51.8-32.7175.7-68177.8-177.8172.80112.3P237 D263 A268 L269P237-K265 HydrophobicContact CB-CB 4.13Å; P237-K265 HydrophobicContact CG-CB 4.31Å; D263-K265 PolarHBondContact O-N 3.14Å; K265-A268 PolarHBondContact O-N 3.15Å; K265-L269 WeakPolarHBondContact O-CG 3.21Å; K265-L269 PolarHBondContact O-N 2.83Å; K265-L269 VanDerWaalsContact O-N 3.09Å
266G82.8Confident73.3Confident1 Ų183.2 Ų83.21%0.0146%0.464CS..Hα-helixtrans-65.6-43.9178.300000113D264 A268 L269 L270D264-G266 PolarHBondContact O-N 3.1Å; D264-G266 VanDerWaalsContact O-N 3.14Å; D264-G266 PolarHBondContact OD1-N 3.38Å; G266-A268 VanDerWaalsContact C-N 3.34Å; G266-L269 PolarHBondContact O-N 2.9Å; G266-L270 PolarHBondContact O-N 3.34Å; G266-L270 VanDerWaalsContact O-N 3.16Å
267I83.3Confident74.5Confident43 Ų4384 Ų8422%0.22147%0.467CS..Hα-helixtrans-65.4-40.3175.8-63.6177.4000110.6L231 L257 D264 L269 L270 L271L231-I267 HydrophobicContact CD2-CG1 3.88Å; L257-I267 HydrophobicContact CD2-CG2 4.09Å; D264-I267 HydrophobicContact CB-CB 4.26Å; D264-I267 HydrophobicContact CB-CD1 3.9Å; D264-I267 HydrophobicContact CB-CG1 4.01Å; D264-I267 PolarHBondContact O-N 3.01Å; D264-I267 VanDerWaalsContact O-N 3.09Å; I267-L269 VanDerWaalsContact C-N 3.35Å; I267-L269 PolarHBondContact O-N 3.47Å; I267-L270 PolarHBondContact O-N 3.33Å; I267-L271 HydrophobicContact CG2-CD1 4.08Å; I267-L271 HydrophobicContact CG2-CG 4.35Å; I267-L271 WeakPolarHBondContact O-CG 2.92Å; I267-L271 PolarHBondContact O-N 3.28Å
268A85.8Confident75.8Confident54 Ų5485.5 Ų85.545%0.44647%0.47SS..Hα-helixtrans-59.6-43.9176.800000112D264 K265 G266 L270 L271 Q272D264-A268 PolarHBondContact O-N 3.49Å; D264-A268 VanDerWaalsContact O-N 3.14Å; K265-A268 PolarHBondContact O-N 3.15Å; G266-A268 VanDerWaalsContact C-N 3.34Å; A268-L270 VanDerWaalsContact C-N 3.35Å; A268-L270 PolarHBondContact O-N 3.35Å; A268-L271 PolarHBondContact O-N 2.92Å; A268-Q272 WeakPolarHBondContact O-CB 3.34Å; A268-Q272 PolarHBondContact O-N 3.34Å
269L87.9Confident77.6Confident41 Ų4182.5 Ų82.522%0.21546%0.459CS..Hα-helixtrans-60.7-42.1174.8-71.3174000112.2P237 I240 Q241 I244 K265 G266 I267 Q272 A273P237-L269 HydrophobicContact CB-CD1 3.93Å; I240-L269 HydrophobicContact CG2-CB 4.43Å; Q241-L269 HydrophobicContact CB-CD1 4.22Å; I244-L269 HydrophobicContact CD1-CB 4.36Å; K265-L269 WeakPolarHBondContact O-CG 3.21Å; K265-L269 PolarHBondContact O-N 2.83Å; K265-L269 VanDerWaalsContact O-N 3.09Å; G266-L269 PolarHBondContact O-N 2.9Å; I267-L269 VanDerWaalsContact C-N 3.35Å; I267-L269 PolarHBondContact O-N 3.47Å; L269-Q272 PolarHBondContact O-N 2.9Å; L269-A273 WeakPolarHBondContact O-CB 3.43Å; L269-A273 PolarHBondContact O-N 2.78Å
270L86.4Confident79.6Confident1 Ų182.3 Ų82.31%0.00546%0.458CS..Hα-helixtrans-65.3-43.8178.3-170.172.9000111.9L227 L231 I250 L252 G266 I267 A268 Q272 A273 R274L227-L270 HydrophobicContact CD1-CD1 4.25Å; L231-L270 HydrophobicContact CD1-CD2 4.45Å; I250-L270 HydrophobicContact CB-CD1 3.83Å; I250-L270 HydrophobicContact CG2-CD1 3.92Å; L252-L270 HydrophobicContact CD1-CD2 4.41Å; G266-L270 PolarHBondContact O-N 3.34Å; G266-L270 VanDerWaalsContact O-N 3.16Å; I267-L270 PolarHBondContact O-N 3.33Å; A268-L270 VanDerWaalsContact C-N 3.35Å; A268-L270 PolarHBondContact O-N 3.35Å; L270-Q272 VanDerWaalsContact C-N 3.35Å; L270-A273 PolarHBondContact O-N 3.39Å; L270-R274 WeakPolarHBondContact O-CG 3.28Å; L270-R274 PolarHBondContact O-N 2.92Å
271L85.3Confident81.8Confident66 Ų6680.2 Ų80.235%0.34644%0.441SS..Hα-helixtrans-62.2-43.1176.1-75.1174.4000111.4L257 L259 I267 A268 R274 A275L257-L271 HydrophobicContact CD1-CD2 3.52Å; L257-L271 HydrophobicContact CD1-CG 4.2Å; L259-L271 HydrophobicContact CD2-CD1 4.35Å; I267-L271 HydrophobicContact CG2-CD1 4.08Å; I267-L271 HydrophobicContact CG2-CG 4.35Å; I267-L271 WeakPolarHBondContact O-CG 2.92Å; I267-L271 PolarHBondContact O-N 3.28Å; A268-L271 PolarHBondContact O-N 2.92Å; L271-R274 PolarHBondContact O-N 3.29Å; L271-A275 WeakPolarHBondContact O-CB 3.39Å; L271-A275 PolarHBondContact O-N 3.12Å
272Q87.4Confident83.7Confident121 Ų12177.5 Ų77.557%0.56542%0.422SS*.Hα-helixtrans-61.5-44.7175.8-176.2178.80.600111.8A268 L269 L270 R274 A275 T276A268-Q272 WeakPolarHBondContact O-CB 3.34Å; A268-Q272 PolarHBondContact O-N 3.34Å; L269-Q272 PolarHBondContact O-N 2.9Å; L270-Q272 VanDerWaalsContact C-N 3.35Å; Q272-R274 VanDerWaalsContact C-N 3.27Å; Q272-R274 PolarHBondContact O-N 2.92Å; Q272-A275 PolarHBondContact O-N 3.37Å; Q272-T276 PolarHBondContact O-N 2.79Å; Q272-T276 PolarHBondContact O-OG1 3.2Å
273A87.3Confident85.6Confident21 Ų2172.9 Ų72.917%0.17440%0.401CS..Hα-helixtrans-65.2-29177.300000113I244 I250 L269 L270 T276I244-A273 HydrophobicContact CD1-CB 3.99Å; I244-A273 HydrophobicContact CG1-CB 4.43Å; I244-A273 HydrophobicContact CG2-CB 4Å; I250-A273 HydrophobicContact CD1-CB 4.17Å; I250-A273 VanDerWaalsContact CD1-O 3.28Å; I250-A273 WeakPolarHBondContact CD1-O 3.3Å; I250-A273 HydrophobicContact CG2-CB 4.43Å; L269-A273 WeakPolarHBondContact O-CB 3.43Å; L269-A273 PolarHBondContact O-N 2.78Å; L270-A273 PolarHBondContact O-N 3.39Å; A273-T276 VanDerWaalsContact O-O 3.06Å
274R86.6Confident87.5Confident67 Ų6767.5 Ų67.525%0.25338%0.377SS..Hα-helixtrans-75.4-33.7173.4-73.3176.4179.3-169.64.5112.8I250 Y251 L270 L271 Q272I250-R274 HydrophobicContact CB-CG 4.47Å; I250-R274 HydrophobicContact CD1-CG 3.94Å; I250-R274 HydrophobicContact CG1-CG 4.27Å; I250-R274 VanDerWaalsContact O-CZ 3.24Å; I250-R274 PolarHBondContact O-NE 3.11Å; I250-R274 PolarHBondContact O-NH2 3.16Å; Y251-R274 HydrophobicContact CE1-CG 4.43Å; L270-R274 WeakPolarHBondContact O-CG 3.28Å; L270-R274 PolarHBondContact O-N 2.92Å; L271-R274 PolarHBondContact O-N 3.29Å; Q272-R274 VanDerWaalsContact C-N 3.27Å; Q272-R274 PolarHBondContact O-N 2.92Å
275A86.5Confident88.4Confident81 Ų8166 Ų6667%0.66937%0.368SS*.Hα-helixtrans-78.2-26-179.300000112.9L271 Q272L271-A275 WeakPolarHBondContact O-CB 3.39Å; L271-A275 PolarHBondContact O-N 3.12Å; Q272-A275 PolarHBondContact O-N 3.37Å
276T85.6Confident89Confident78 Ų7860.5 Ų60.548%0.47935%0.346SS..SBendtrans-116.1120-175.255.60000111.3Q272 A273Q272-T276 PolarHBondContact O-N 2.79Å; Q272-T276 PolarHBondContact O-OG1 3.2Å; A273-T276 VanDerWaalsContact O-O 3.06Å
277P84.3Confident89.5Confident121 Ų12165.3 Ų65.379%0.78638%0.375SS*.PPolyproline II helixtrans-64.8145.117627.3-33.3000110.4S279P277-S279 PolarHBondContact O-N 3.4Å
278R88.3Confident90Very high72 Ų7266.2 Ų66.227%0.27238%0.38SS..PPolyproline II helixtrans-57133.7176.4-68.3178-177.6-97.5-1.7110.3I244 G247 Q283I244-R278 PolarHBondContact O-NH1 3.08Å; I244-R278 PolarHBondContact O-NH2 3.08Å; G247-R278 VanDerWaalsContact CA-NH2 3.31Å; R278-Q283 HydrophobicContact CB-CG 3.88Å; R278-Q283 PolarHBondContact O-NE2 3.15Å
279S92.6Very high90.3Very high69 Ų6964.5 Ų64.548%0.48336%0.362SS..PPolyproline II helixtrans-60.4153.4173.8710000111.4P277 L281 S282 Q283P277-S279 PolarHBondContact O-N 3.4Å; S279-L281 PolarHBondContact O-N 2.82Å; S279-S282 WeakPolarHBondContact O-CB 3.38Å; S279-S282 PolarHBondContact O-N 3.33Å; S279-S282 WeakPolarHBondContact OG-CB 3.28Å; S279-S282 PolarHBondContact OG-N 3.13Å; S279-S282 VanDerWaalsContact OG-N 3.16Å; S279-Q283 WeakPolarHBondContact O-CG 3.27Å; S279-Q283 PolarHBondContact O-N 3.34Å
280L94.7Very high90.4Very high143 Ų14371 Ų7175%0.74938%0.383SS*.Hα-helixtrans-55.3-38175.9-17764.5000111.7Q283 A284L280-Q283 PolarHBondContact O-N 3.3Å; L280-A284 WeakPolarHBondContact O-CB 3.4Å; L280-A284 PolarHBondContact O-N 3.39Å
281L94.2Very high90.6Very high90 Ų9073.4 Ų73.447%0.47140%0.404SS..Hα-helixtrans-64.6-42.1177.6-172.966000112.1S279 A284 R285 L310 Y313S279-L281 PolarHBondContact O-N 2.82Å; L281-A284 PolarHBondContact O-N 3.23Å; L281-R285 PolarHBondContact O-N 2.93Å; L281-L310 HydrophobicContact CD1-CD2 4.41Å; L281-Y313 HydrophobicContact CD1-CD1 4.39Å; L281-Y313 HydrophobicContact CD1-CE1 4.06Å; L281-Y313 HydrophobicContact CD2-CD1 4.47Å; L281-Y313 HydrophobicContact CD2-CE1 4.01Å; L281-Y313 HydrophobicContact CD2-CE2 4.29Å; L281-Y313 HydrophobicContact CG-CD1 4.24Å; L281-Y313 HydrophobicContact CG-CE1 3.54Å
282S92.8Very high90.9Very high13 Ų1371.6 Ų71.69%0.09139%0.394CS..Hα-helixtrans-64.5-43.7175.2179.20000111.5S279 R285 L286 Y313S279-S282 WeakPolarHBondContact O-CB 3.38Å; S279-S282 PolarHBondContact O-N 3.33Å; S279-S282 WeakPolarHBondContact OG-CB 3.28Å; S279-S282 PolarHBondContact OG-N 3.13Å; S279-S282 VanDerWaalsContact OG-N 3.16Å; S282-R285 WeakPolarHBondContact O-CB 3.26Å; S282-R285 PolarHBondContact O-N 3.04Å; S282-L286 WeakPolarHBondContact O-CG 3.3Å; S282-L286 PolarHBondContact O-N 3.42Å; S282-L286 VanDerWaalsContact O-N 3.13Å; S282-Y313 WeakPolarHBondContact CA-OH 3.49Å; S282-Y313 PolarHBondContact N-OH 3.29Å
283Q93.1Very high90.7Very high95 Ų9567.7 Ų67.744%0.44438%0.38SS..Hα-helixtrans-62.2-44175.8-65.6-177.624.700111.6R278 S279 L280 R285 L286 V287R278-Q283 HydrophobicContact CB-CG 3.88Å; R278-Q283 PolarHBondContact O-NE2 3.15Å; S279-Q283 WeakPolarHBondContact O-CG 3.27Å; S279-Q283 PolarHBondContact O-N 3.34Å; L280-Q283 PolarHBondContact O-N 3.3Å; Q283-R285 VanDerWaalsContact C-N 3.35Å; Q283-R285 PolarHBondContact O-N 3.19Å; Q283-L286 PolarHBondContact O-N 2.99Å; Q283-V287 WeakPolarHBondContact O-CG2 3.17Å; Q283-V287 PolarHBondContact O-N 2.71Å
284A95Very high90.5Very high40 Ų4073.5 Ų73.533%0.33140%0.403SS..Hα-helixtrans-59.4-43.8175.900000111.8L280 L281 L286 V287 I288L280-A284 WeakPolarHBondContact O-CB 3.4Å; L280-A284 PolarHBondContact O-N 3.39Å; L281-A284 PolarHBondContact O-N 3.23Å; A284-L286 PolarHBondContact O-N 3.28Å; A284-V287 PolarHBondContact O-N 2.79Å; A284-I288 WeakPolarHBondContact O-CB 3.47Å; A284-I288 WeakPolarHBondContact O-CD1 3.45Å; A284-I288 VanDerWaalsContact O-CG1 3.26Å; A284-I288 WeakPolarHBondContact O-CG1 3.41Å; A284-I288 PolarHBondContact O-N 3.21Å
285R95.1Very high90.4Very high14 Ų1473.5 Ų73.55%0.05342%0.417CS..Hα-helixtrans-55.7-48.3174.6174.6178.171.2-1784.8111.9D245 L281 S282 Q283 V287 I288 R289 Y313 L314 H316D245-R285 PolarHBondContact O-NH2 3.13Å; D245-R285 IonicContact OD1-CZ 3.46Å; D245-R285 IonicContact OD1-NH1 3.47Å; D245-R285 IonicContact OD1-NH2 2.8Å; D245-R285 PolarHBondContact OD1-NH2 3.3Å; L281-R285 PolarHBondContact O-N 2.93Å; S282-R285 WeakPolarHBondContact O-CB 3.26Å; S282-R285 PolarHBondContact O-N 3.04Å; Q283-R285 VanDerWaalsContact C-N 3.35Å; Q283-R285 PolarHBondContact O-N 3.19Å; R285-V287 PolarHBondContact O-N 3.49Å; R285-I288 PolarHBondContact O-N 3Å; R285-R289 HydrophobicContact CG-CG 4.42Å; R285-R289 WeakPolarHBondContact O-CB 3.5Å; R285-R289 VanDerWaalsContact O-CG 3.24Å; R285-R289 WeakPolarHBondContact O-CG 3.26Å; R285-R289 PolarHBondContact O-N 2.99Å; R285-Y313 HydrophobicContact CB-CD1 4.37Å; R285-Y313 HydrophobicContact CB-CE1 3.69Å; R285-Y313 WeakPolarHBondContact CD-O 3.36Å; R285-Y313 HydrophobicContact CG-CE1 4.21Å; R285-L314 HydrophobicContact CB-CD2 3.95Å; R285-L314 HydrophobicContact CG-CD2 3.94Å; R285-H316 PolarHBondContact NH1-CE1 3.03Å
286L93.3Very high90.1Very high40 Ų4072.5 Ų72.521%0.20942%0.415CS..Hα-helixtrans-61.6-45179.6-65.7179000112.2F246 S282 Q283 A284 R290F246-L286 WeakPolarHBondContact O-CD2 3.27Å; S282-L286 WeakPolarHBondContact O-CG 3.3Å; S282-L286 PolarHBondContact O-N 3.42Å; S282-L286 VanDerWaalsContact O-N 3.13Å; Q283-L286 PolarHBondContact O-N 2.99Å; A284-L286 PolarHBondContact O-N 3.28Å; L286-R290 VanDerWaalsContact O-CB 3.24Å; L286-R290 WeakPolarHBondContact O-CB 3.44Å; L286-R290 PolarHBondContact O-N 2.9Å
287V94.2Very high89.9Confident101 Ų10174.3 Ų74.361%0.61242%0.418SS*.Hα-helixtrans-63.3-48-179.61730000111Q283 A284 R285 R290 A291Q283-V287 WeakPolarHBondContact O-CG2 3.17Å; Q283-V287 PolarHBondContact O-N 2.71Å; A284-V287 PolarHBondContact O-N 2.79Å; R285-V287 PolarHBondContact O-N 3.49Å; V287-R290 PolarHBondContact O-N 3.04Å; V287-A291 PolarHBondContact O-N 3.04Å
288I93.9Very high89.6Confident63 Ų6370.1 Ų70.132%0.32339%0.391SS..Hα-helixtrans-61.2-49.2179.4-67.1164.1000110.3A284 R285 R290 A291 L292 L304 L314A284-I288 WeakPolarHBondContact O-CB 3.47Å; A284-I288 WeakPolarHBondContact O-CD1 3.45Å; A284-I288 VanDerWaalsContact O-CG1 3.26Å; A284-I288 WeakPolarHBondContact O-CG1 3.41Å; A284-I288 PolarHBondContact O-N 3.21Å; R285-I288 PolarHBondContact O-N 3Å; I288-R290 PolarHBondContact O-N 3.38Å; I288-A291 PolarHBondContact O-N 3.24Å; I288-L292 HydrophobicContact CG2-CD1 4.02Å; I288-L292 WeakPolarHBondContact O-CG 3.2Å; I288-L292 PolarHBondContact O-N 3.02Å; I288-L292 VanDerWaalsContact O-N 3.08Å; I288-L304 HydrophobicContact CG2-CD1 4.14Å; I288-L314 HydrophobicContact CB-CD2 4.24Å; I288-L314 HydrophobicContact CD1-CD1 4.49Å; I288-L314 HydrophobicContact CD1-CD2 4.09Å; I288-L314 HydrophobicContact CG2-CD1 3.97Å; I288-L314 HydrophobicContact CG2-CD2 4.23Å
289R92.5Very high89.3Confident17 Ų1771.6 Ų71.66%0.06440%0.401CS..Hα-helixtrans-61.7-43.9179.7-71.1-175.365.665.819.5111.9L202 R285 A291 L292 C293 I301 L314L202-R289 VanDerWaalsContact C-NH2 3.3Å; L202-R289 VanDerWaalsContact CA-NH2 3.31Å; L202-R289 PolarHBondContact O-NH2 3.41Å; R285-R289 HydrophobicContact CG-CG 4.42Å; R285-R289 WeakPolarHBondContact O-CB 3.5Å; R285-R289 VanDerWaalsContact O-CG 3.24Å; R285-R289 WeakPolarHBondContact O-CG 3.26Å; R285-R289 PolarHBondContact O-N 2.99Å; R289-A291 VanDerWaalsContact C-N 3.32Å; R289-A291 PolarHBondContact O-N 3.34Å; R289-L292 PolarHBondContact O-N 2.88Å; R289-C293 PolarHBondContact O-N 3.06Å; R289-C293 PolarHBondContact O-SG 2.93Å; R289-I301 HydrophobicContact CG-CD1 4.28Å; R289-I301 VanDerWaalsContact NH1-CD1 3.26Å; R289-L314 WeakPolarHBondContact CD-O 3.3Å; R289-L314 PolarHBondContact NH1-O 2.73Å
290R89.8Confident89Confident178 Ų17868.9 Ų68.967%0.67238%0.383SS*.Hα-helixtrans-59.3-43.7177.4-175.6177.3-176.9164.74.9111.7L286 V287 I288 C293 Q294L286-R290 VanDerWaalsContact O-CB 3.24Å; L286-R290 WeakPolarHBondContact O-CB 3.44Å; L286-R290 PolarHBondContact O-N 2.9Å; V287-R290 PolarHBondContact O-N 3.04Å; I288-R290 PolarHBondContact O-N 3.38Å; R290-C293 PolarHBondContact O-N 3.41Å; R290-Q294 WeakPolarHBondContact O-CB 3.47Å; R290-Q294 VanDerWaalsContact O-CG 3.27Å; R290-Q294 WeakPolarHBondContact O-CG 3.44Å; R290-Q294 PolarHBondContact O-N 3.37Å
291A91Very high88.9Confident52 Ų5262.4 Ų62.443%0.4335%0.348SS..Hα-helixtrans-61.8-43.4177.600000111.9V287 I288 R289 Q294 A295V287-A291 PolarHBondContact O-N 3.04Å; I288-A291 PolarHBondContact O-N 3.24Å; R289-A291 VanDerWaalsContact C-N 3.32Å; R289-A291 PolarHBondContact O-N 3.34Å; A291-Q294 PolarHBondContact O-N 3.16Å; A291-A295 PolarHBondContact O-N 3.35Å
292L90Very high88.6Confident27 Ų2762 Ų6214%0.14135%0.347CS..Hα-helixtrans-68.1-38.8178.9-66.7173000112.8I288 R289 A295 G296 Q297 A300 I301 L304I288-L292 HydrophobicContact CG2-CD1 4.02Å; I288-L292 WeakPolarHBondContact O-CG 3.2Å; I288-L292 PolarHBondContact O-N 3.02Å; I288-L292 VanDerWaalsContact O-N 3.08Å; R289-L292 PolarHBondContact O-N 2.88Å; L292-A295 PolarHBondContact O-N 2.81Å; L292-G296 PolarHBondContact O-N 3.39Å; L292-Q297 CarbonylContact O-C 3.52Å; L292-Q297 PolarHBondContact O-N 3.43Å; L292-A300 HydrophobicContact CD2-CB 4.3Å; L292-I301 HydrophobicContact CD1-CB 4.35Å; L292-I301 HydrophobicContact CD1-CD1 4.17Å; L292-I301 HydrophobicContact CD1-CG1 3.25Å; L292-L304 HydrophobicContact CD1-CD1 4.37Å
293C84.2Confident88.6Confident40 Ų4069 Ų6927%0.2738%0.378SS..Hα-helixtrans-65.9-40.8173.7-66.90000111.9R289 R290 A295 G296R289-C293 PolarHBondContact O-N 3.06Å; R289-C293 PolarHBondContact O-SG 2.93Å; R290-C293 PolarHBondContact O-N 3.41Å; C293-A295 VanDerWaalsContact C-N 3.25Å; C293-A295 PolarHBondContact O-N 2.94Å; C293-G296 PolarHBondContact O-N 3.2Å
294Q83.3Confident88.6Confident142 Ų14267.1 Ų67.166%0.66437%0.371SS*.Hα-helixtrans-64-31.2175.8-76174.9-14.200112.7R290 A291 G296R290-Q294 WeakPolarHBondContact O-CB 3.47Å; R290-Q294 VanDerWaalsContact O-CG 3.27Å; R290-Q294 WeakPolarHBondContact O-CG 3.44Å; R290-Q294 PolarHBondContact O-N 3.37Å; A291-Q294 PolarHBondContact O-N 3.16Å; Q294-G296 PolarHBondContact O-N 3.41Å
295A84.8Confident88.6Confident67 Ų6773.4 Ų73.455%0.55440%0.399SS*.THydrogen-bonded Turntrans-78.1-1.9173.100000113.6A291 L292 C293 Q297A291-A295 PolarHBondContact O-N 3.35Å; L292-A295 PolarHBondContact O-N 2.81Å; C293-A295 VanDerWaalsContact C-N 3.25Å; C293-A295 PolarHBondContact O-N 2.94Å; A295-Q297 PolarHBondContact O-N 3.43Å
296G79.4Confident88.6Confident60 Ų6075.6 Ų75.662%0.61941%0.411SS*.THydrogen-bonded Turntrans68.916.6-176.300000114L292 C293 Q294 P298L292-G296 PolarHBondContact O-N 3.39Å; C293-G296 PolarHBondContact O-N 3.2Å; Q294-G296 PolarHBondContact O-N 3.41Å; G296-P298 VanDerWaalsContact C-CD 3.42Å; G296-P298 WeakPolarHBondContact O-CD 3.33Å
297Q81.4Confident88.7Confident117 Ų11777.4 Ų77.455%0.54743%0.425SS..  trans-127.660.4-175.5-64.8-172.2-11.500112.1L292 A295 Q299 A300L292-Q297 CarbonylContact O-C 3.52Å; L292-Q297 PolarHBondContact O-N 3.43Å; A295-Q297 PolarHBondContact O-N 3.43Å; Q297-Q299 PolarHBondContact O-N 3.31Å; Q297-A300 HydrophobicContact CB-CB 3.91Å; Q297-A300 WeakPolarHBondContact O-CB 3.41Å; Q297-A300 PolarHBondContact O-N 3.05Å
298P79.1Confident88.7Confident32 Ų3276.9 Ų76.921%0.20842%0.424CS..G310 helixtrans-61.2-27.6177.726.4-34.2000112.5G296 A300G296-P298 VanDerWaalsContact C-CD 3.42Å; G296-P298 WeakPolarHBondContact O-CD 3.33Å; P298-A300 VanDerWaalsContact C-N 3.28Å; P298-A300 PolarHBondContact O-N 3.13Å
299Q80.8Confident88.7Confident104 Ų10480.5 Ų80.549%0.48644%0.441SS..G310 helixtrans-71.1-18.8177.5-63.8-73-3.700113.5Q297 I301 N302Q297-Q299 PolarHBondContact O-N 3.31Å; Q299-I301 PolarHBondContact O-N 2.87Å; Q299-I301 VanDerWaalsContact O-N 3.12Å; Q299-N302 PolarHBondContact O-N 3.28Å; Q299-N302 PolarHBondContact O-ND2 3.2Å
300A87.6Confident88.8Confident12 Ų1283 Ų8310%0.09946%0.456CS..G310 helixtrans-69.5-6.6-178.500000113.4L292 Q297 P298 N302 Q303L292-A300 HydrophobicContact CD2-CB 4.3Å; Q297-A300 HydrophobicContact CB-CB 3.91Å; Q297-A300 WeakPolarHBondContact O-CB 3.41Å; Q297-A300 PolarHBondContact O-N 3.05Å; P298-A300 VanDerWaalsContact C-N 3.28Å; P298-A300 PolarHBondContact O-N 3.13Å; A300-N302 PolarHBondContact O-N 2.88Å; A300-N302 VanDerWaalsContact O-N 3.1Å; A300-Q303 WeakPolarHBondContact O-CB 3.35Å; A300-Q303 PolarHBondContact O-N 2.53Å
301I90.8Very high88.9Confident6 Ų675.8 Ų75.83%0.03143%0.43CS..G310 helixtrans-49.2-36.3168.6-75.6179.4000111.7R289 L292 Q299 Q303 L304 I311 L314 K315R289-I301 HydrophobicContact CG-CD1 4.28Å; R289-I301 VanDerWaalsContact NH1-CD1 3.26Å; L292-I301 HydrophobicContact CD1-CB 4.35Å; L292-I301 HydrophobicContact CD1-CD1 4.17Å; L292-I301 HydrophobicContact CD1-CG1 3.25Å; Q299-I301 PolarHBondContact O-N 2.87Å; Q299-I301 VanDerWaalsContact O-N 3.12Å; I301-Q303 PolarHBondContact O-N 3.29Å; I301-L304 PolarHBondContact O-N 2.94Å; I301-I311 HydrophobicContact CG2-CG2 3.96Å; I301-L314 HydrophobicContact CD1-CB 4.35Å; I301-L314 HydrophobicContact CG2-CB 4.15Å; I301-K315 HydrophobicContact CG2-CG 3.85Å
302N89.6Confident89Confident83 Ų8374.8 Ų74.844%0.44442%0.42SS..G310 helixtrans-66.6-18.8179.4-67.9-52.3000114.4Q299 A300 K315Q299-N302 PolarHBondContact O-N 3.28Å; Q299-N302 PolarHBondContact O-ND2 3.2Å; A300-N302 PolarHBondContact O-N 2.88Å; A300-N302 VanDerWaalsContact O-N 3.1Å; N302-K315 WeakPolarHBondContact OD1-CE 3.39Å; N302-K315 PolarHBondContact OD1-NZ 3.22Å
303Q92.1Very high89.2Confident160 Ų16075.8 Ų75.875%0.74842%0.422SS*.G310 helixtrans-102.8-0.7-172.6-58.2174.72.700112A300 I301A300-Q303 WeakPolarHBondContact O-CB 3.35Å; A300-Q303 PolarHBondContact O-N 2.53Å; I301-Q303 PolarHBondContact O-N 3.29Å
304L92.6Very high89.6Confident54 Ų5474.2 Ų74.228%0.28341%0.411SS..SBendtrans-68.1132.3177.1-63.4177.3000110.1I288 L292 I301 I306 L314I288-L304 HydrophobicContact CG2-CD1 4.14Å; L292-L304 HydrophobicContact CD1-CD1 4.37Å; I301-L304 PolarHBondContact O-N 2.94Å; L304-I306 HydrophobicContact CB-CD1 3.97Å; L304-I306 HydrophobicContact CB-CG1 3.87Å; L304-I306 HydrophobicContact CD1-CD1 4Å; L304-I306 PolarHBondContact O-N 3.37Å; L304-L314 HydrophobicContact CD1-CD1 3.71Å
305D95.4Very high90Very high172 Ų17269.8 Ų69.892%0.9239%0.39SS*.SBendtrans-77.669.9175.6-169.419.5000110.9
306I94.9Very high90.2Very high61 Ų6168.3 Ų68.331%0.31337%0.371SS..SBendtrans-140.4158.6-179.163.2178.3000110.5L304 L310 I311 L314L304-I306 HydrophobicContact CB-CD1 3.97Å; L304-I306 HydrophobicContact CB-CG1 3.87Å; L304-I306 HydrophobicContact CD1-CD1 4Å; L304-I306 PolarHBondContact O-N 3.37Å; I306-L310 HydrophobicContact CD1-CB 3.94Å; I306-L310 HydrophobicContact CG1-CB 4.37Å; I306-I311 HydrophobicContact CD1-CG1 4.01Å; I306-I311 HydrophobicContact CG1-CD1 4.33Å; I306-I311 HydrophobicContact CG1-CG1 3.65Å; I306-L314 HydrophobicContact CD1-CD1 3.68Å
307P96.1Very high90.4Very high78 Ų7870.6 Ų70.651%0.50637%0.366SS..  trans-53.1143.7176.9-28.834.6000113.7M309 L310 I311P307-M309 PolarHBondContact O-N 3.09Å; P307-M309 VanDerWaalsContact O-N 3.14Å; P307-L310 HydrophobicContact CG-CD1 4.49Å; P307-L310 WeakPolarHBondContact O-CB 3.33Å; P307-L310 PolarHBondContact O-N 2.93Å; P307-I311 PolarHBondContact O-N 3.46Å
308P93.8Very high89.2Confident90 Ų9076 Ų7658%0.58440%0.397SS*.Hα-helixtrans-60.6-30.9-17523.7-34.3000113L310 I311 S312P308-L310 VanDerWaalsContact C-N 3.3Å; P308-L310 PolarHBondContact O-N 3.2Å; P308-I311 WeakPolarHBondContact O-CB 3.22Å; P308-I311 PolarHBondContact O-N 3.16Å; P308-I311 VanDerWaalsContact O-N 3.17Å; P308-S312 PolarHBondContact O-N 3.45Å; P308-S312 PolarHBondContact O-OG 3.39Å
309M93.4Very high89.7Confident139 Ų13978.2 Ų78.269%0.68541%0.406SS*.Hα-helixtrans-62.6-35.9174.1-64.1-6889.700112.7P307 Y313P307-M309 PolarHBondContact O-N 3.09Å; P307-M309 VanDerWaalsContact O-N 3.14Å; M309-Y313 WeakPolarHBondContact O-CB 3.12Å; M309-Y313 PolarHBondContact O-N 3.23Å
310L94.1Very high90.2Very high70 Ų7076.8 Ų76.837%0.36640%0.402SS..Hα-helixtrans-73-35.1174.3-63.6-175.3000111.1L281 I306 P307 P308 Y313 L314L281-L310 HydrophobicContact CD1-CD2 4.41Å; I306-L310 HydrophobicContact CD1-CB 3.94Å; I306-L310 HydrophobicContact CG1-CB 4.37Å; P307-L310 HydrophobicContact CG-CD1 4.49Å; P307-L310 WeakPolarHBondContact O-CB 3.33Å; P307-L310 PolarHBondContact O-N 2.93Å; P308-L310 VanDerWaalsContact C-N 3.3Å; P308-L310 PolarHBondContact O-N 3.2Å; L310-Y313 PolarHBondContact O-N 3.15Å; L310-L314 WeakPolarHBondContact O-CB 3.32Å; L310-L314 VanDerWaalsContact O-CG 3.25Å; L310-L314 WeakPolarHBondContact O-CG 3.36Å; L310-L314 PolarHBondContact O-N 3.42Å
311I93.6Very high90.4Very high25 Ų2580.4 Ų80.413%0.12842%0.419CS..Hα-helixtrans-60.1-49.4172.3-59.8-178.7000110.3I301 I306 P307 P308 Y313 L314 K315I301-I311 HydrophobicContact CG2-CG2 3.96Å; I306-I311 HydrophobicContact CD1-CG1 4.01Å; I306-I311 HydrophobicContact CG1-CD1 4.33Å; I306-I311 HydrophobicContact CG1-CG1 3.65Å; P307-I311 PolarHBondContact O-N 3.46Å; P308-I311 WeakPolarHBondContact O-CB 3.22Å; P308-I311 PolarHBondContact O-N 3.16Å; P308-I311 VanDerWaalsContact O-N 3.17Å; I311-Y313 VanDerWaalsContact C-N 3.33Å; I311-Y313 PolarHBondContact O-N 3.25Å; I311-L314 PolarHBondContact O-N 3.14Å; I311-K315 HydrophobicContact CG2-CD 4.31Å; I311-K315 WeakPolarHBondContact O-CG 3.34Å; I311-K315 PolarHBondContact O-N 3.09Å
312S93.1Very high90.3Very high32 Ų3284.8 Ų84.822%0.22444%0.442CS..Hα-helixtrans-59-44.6176.7-59.10000111.4P308 L314 K315 H316 Q317P308-S312 PolarHBondContact O-N 3.45Å; P308-S312 PolarHBondContact O-OG 3.39Å; S312-L314 PolarHBondContact O-N 3.14Å; S312-K315 CarbonylContact O-C 3.59Å; S312-K315 WeakPolarHBondContact O-CA 3.39Å; S312-K315 WeakPolarHBondContact O-CB 3.38Å; S312-K315 PolarHBondContact O-N 2.96Å; S312-H316 PolarHBondContact O-N 3.48Å; S312-Q317 CarbonylContact C-O 3.48Å; S312-Q317 VanDerWaalsContact CB-O 3.27Å; S312-Q317 WeakPolarHBondContact CB-O 3.28Å; S312-Q317 PolarHBondContact O-N 3.33Å; S312-Q317 VanDerWaalsContact O-O 3.05Å
313Y93.7Very high90.4Very high47 Ų4784.9 Ų84.918%0.18444%0.442CS..Hα-helixtrans-58.8-43.9175179.3-104.2000113.1L281 S282 R285 M309 L310 I311 K315 H316L281-Y313 HydrophobicContact CD1-CD1 4.39Å; L281-Y313 HydrophobicContact CD1-CE1 4.06Å; L281-Y313 HydrophobicContact CD2-CD1 4.47Å; L281-Y313 HydrophobicContact CD2-CE1 4.01Å; L281-Y313 HydrophobicContact CD2-CE2 4.29Å; L281-Y313 HydrophobicContact CG-CD1 4.24Å; L281-Y313 HydrophobicContact CG-CE1 3.54Å; S282-Y313 WeakPolarHBondContact CA-OH 3.49Å; S282-Y313 PolarHBondContact N-OH 3.29Å; R285-Y313 HydrophobicContact CB-CD1 4.37Å; R285-Y313 HydrophobicContact CB-CE1 3.69Å; R285-Y313 WeakPolarHBondContact CD-O 3.36Å; R285-Y313 HydrophobicContact CG-CE1 4.21Å; M309-Y313 WeakPolarHBondContact O-CB 3.12Å; M309-Y313 PolarHBondContact O-N 3.23Å; L310-Y313 PolarHBondContact O-N 3.15Å; I311-Y313 VanDerWaalsContact C-N 3.33Å; I311-Y313 PolarHBondContact O-N 3.25Å; Y313-K315 PolarHBondContact O-N 2.89Å; Y313-H316 PolarHBondContact O-N 3.37Å; Y313-H316 VanDerWaalsContact O-N 3.13Å
314L92.8Very high90.3Very high7 Ų779.9 Ų79.94%0.03742%0.421CS..Hα-helixtrans-64.5-26.4175.9-70.4178.6000112.7R285 I288 R289 I301 L304 I306 L310 I311 S312R285-L314 HydrophobicContact CB-CD2 3.95Å; R285-L314 HydrophobicContact CG-CD2 3.94Å; I288-L314 HydrophobicContact CB-CD2 4.24Å; I288-L314 HydrophobicContact CD1-CD1 4.49Å; I288-L314 HydrophobicContact CD1-CD2 4.09Å; I288-L314 HydrophobicContact CG2-CD1 3.97Å; I288-L314 HydrophobicContact CG2-CD2 4.23Å; R289-L314 WeakPolarHBondContact CD-O 3.3Å; R289-L314 PolarHBondContact NH1-O 2.73Å; I301-L314 HydrophobicContact CD1-CB 4.35Å; I301-L314 HydrophobicContact CG2-CB 4.15Å; L304-L314 HydrophobicContact CD1-CD1 3.71Å; I306-L314 HydrophobicContact CD1-CD1 3.68Å; L310-L314 WeakPolarHBondContact O-CB 3.32Å; L310-L314 VanDerWaalsContact O-CG 3.25Å; L310-L314 WeakPolarHBondContact O-CG 3.36Å; L310-L314 PolarHBondContact O-N 3.42Å; I311-L314 PolarHBondContact O-N 3.14Å; S312-L314 PolarHBondContact O-N 3.14Å
315K90.4Very high90.1Very high50 Ų5081.7 Ų81.722%0.21743%0.431CS..THydrogen-bonded Turntrans-87.80.8175.5-67.3175.7-179.5174.20114.1L202 I301 N302 I311 S312 Y313 Q317L202-K315 VanDerWaalsContact CD2-O 3.28Å; L202-K315 WeakPolarHBondContact CD2-O 3.44Å; I301-K315 HydrophobicContact CG2-CG 3.85Å; N302-K315 WeakPolarHBondContact OD1-CE 3.39Å; N302-K315 PolarHBondContact OD1-NZ 3.22Å; I311-K315 HydrophobicContact CG2-CD 4.31Å; I311-K315 WeakPolarHBondContact O-CG 3.34Å; I311-K315 PolarHBondContact O-N 3.09Å; S312-K315 CarbonylContact O-C 3.59Å; S312-K315 WeakPolarHBondContact O-CA 3.39Å; S312-K315 WeakPolarHBondContact O-CB 3.38Å; S312-K315 PolarHBondContact O-N 2.96Å; Y313-K315 PolarHBondContact O-N 2.89Å; K315-Q317 HydrophobicContact CB-CB 4.35Å; K315-Q317 HydrophobicContact CB-CG 3.9Å; K315-Q317 VanDerWaalsContact CD-OE1 3.28Å; K315-Q317 PolarHBondContact O-N 3.03Å
316H89.2Confident89.7Confident36 Ų3674.8 Ų74.817%0.16739%0.394CS..THydrogen-bonded Turntrans56.133.7-170.4-61.2-113.1000112.4F246 R285 S312 Y313F246-H316 AromaticContact CD2-CE1 3.68Å; F246-H316 AromaticContact CE1-NE2 3.74Å; F246-H316 AromaticContact CE2-CD2 3.84Å; F246-H316 AromaticContact CE2-CE1 3.44Å; F246-H316 VanDerWaalsContact CE2-CE1 3.44Å; F246-H316 WeakPolarHBondContact CE2-CE1 3.4Å; F246-H316 AromaticContact CE2-CG 3.8Å; F246-H316 AromaticContact CE2-ND1 3.56Å; F246-H316 AromaticContact CE2-NE2 3.66Å; F246-H316 AromaticContact CZ-CD2 3.46Å; F246-H316 VanDerWaalsContact CZ-CD2 3.46Å; F246-H316 WeakPolarHBondContact CZ-CD2 3.49Å; F246-H316 AromaticContact CZ-CE1 3.77Å; F246-H316 AromaticContact CZ-CG 3.82Å; F246-H316 AromaticContact CZ-NE2 3.48Å; F246-H316 WeakPolarHBondContact CZ-NE2 3.47Å; R285-H316 PolarHBondContact NH1-CE1 3.03Å; S312-H316 PolarHBondContact O-N 3.48Å; Y313-H316 PolarHBondContact O-N 3.37Å; Y313-H316 VanDerWaalsContact O-N 3.13Å
317Q84.9Confident89.3Confident107 Ų10775.9 Ų75.950%0.540%0.4SS..  trans-104110.4171.4-65.9174.6-18.500106.5S312 K315S312-Q317 CarbonylContact C-O 3.48Å; S312-Q317 VanDerWaalsContact CB-O 3.27Å; S312-Q317 WeakPolarHBondContact CB-O 3.28Å; S312-Q317 PolarHBondContact O-N 3.33Å; S312-Q317 VanDerWaalsContact O-O 3.05Å; K315-Q317 HydrophobicContact CB-CB 4.35Å; K315-Q317 HydrophobicContact CB-CG 3.9Å; K315-Q317 VanDerWaalsContact CD-OE1 3.28Å; K315-Q317 PolarHBondContact O-N 3.03Å
318L56.1Low88.6Confident230 Ų23075.7 Ų75.7100%1.20439%0.391SS*.  trans-101.20172.6-75.3169.2000109.3

Retrieved 318 of 318 residues in 335.8 ms (Link to these results)