A0A093HV11_STRCA Loading...

Ubiquitin-protein ligase E3B

AlphaFold DB , UniProt , Accession A0A093HV11, Species STRCA (Struthio camelus australis), Gene n/a, Length 1,070 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
1M37.6Very low54.8Low233 Ų233131.5 Ų131.5100%1.14875%0.746SS**  043.20-92.3-171.3-177.500112.5
2F47.9Very low56.5Low207 Ų207132.6 Ų132.691%0.90874%0.737SS**  trans-146.588176.7-72.4-75.5000110.7
3S47.8Very low58Low123 Ų123130.5 Ų130.586%0.8672%0.723SS**  trans-166.352.2168.667.80000113.7
4A47.7Very low59.3Low103 Ų103127.6 Ų127.685%0.85171%0.706SS**  trans-146.942-178.300000115.4
5S51.5Low60.4Low101 Ų101129.3 Ų129.371%0.70670%0.703SS**SBendtrans-1301.2178.862.10000116.5
6Q52.4Low61.6Low175 Ų175122.9 Ų122.982%0.81867%0.673SS**SBendtrans-96.6-23.6176-75.5-169.9-1000114.7
7S55.1Low62.6Low81 Ų81124.5 Ų124.557%0.56667%0.667SS**Hα-helixtrans-72-40.1-175.7169.50000114K9 Q11S7-K9 PolarHBondContact O-N 3.47Å; S7-Q11 PolarHBondContact O-N 2.64Å
8S59.3Low63.5Low87 Ų87123.8 Ų123.861%0.60866%0.659SS**Hα-helixtrans-73.9-30.8-175.682.90000113.1F12S8-F12 WeakPolarHBondContact O-CB 3.46Å; S8-F12 PolarHBondContact O-N 3.41Å
9K66.6Low64.5Low149 Ų149118.7 Ų118.765%0.64864%0.636SS**Hα-helixtrans-71.4-40.1178.9-162.6175.9-176.5-1800111.6S7 L13S7-K9 PolarHBondContact O-N 3.47Å; K9-L13 HydrophobicContact CG-CD1 4.33Å; K9-L13 WeakPolarHBondContact O-CB 3.36Å; K9-L13 VanDerWaalsContact O-CG 3.22Å; K9-L13 WeakPolarHBondContact O-CG 3.4Å; K9-L13 PolarHBondContact O-N 3.4Å
10A66.7Low65.2Low61 Ų61122 Ų12250%0.50464%0.639SS.*Hα-helixtrans-66-47.2175.800000111.7F12 L13 D14A10-F12 VanDerWaalsContact C-N 3.34Å; A10-F12 PolarHBondContact O-N 3.12Å; A10-L13 PolarHBondContact O-N 3.33Å; A10-D14 WeakPolarHBondContact O-CB 3.47Å; A10-D14 PolarHBondContact O-N 3.12Å
11Q69.9Low66Low127 Ų127120.5 Ų120.559%0.59363%0.629SS**Hα-helixtrans-63.4-36.8176-77.3-177.6-13.600113.1S7 K15S7-Q11 PolarHBondContact O-N 2.64Å; Q11-K15 WeakPolarHBondContact O-CB 3.26Å; Q11-K15 WeakPolarHBondContact O-CG 3.3Å; Q11-K15 PolarHBondContact O-N 2.74Å
12F75.3Confident68.1Low144 Ų144115.5 Ų115.563%0.63260%0.603SS**Hα-helixtrans-66.7-42.9174.7179.4-95.8000111.9S8 A10 D14 A16S8-F12 WeakPolarHBondContact O-CB 3.46Å; S8-F12 PolarHBondContact O-N 3.41Å; A10-F12 VanDerWaalsContact C-N 3.34Å; A10-F12 PolarHBondContact O-N 3.12Å; F12-D14 VanDerWaalsContact C-N 3.33Å; F12-A16 VanDerWaalsContact O-CB 3.23Å; F12-A16 WeakPolarHBondContact O-CB 3.44Å; F12-A16 PolarHBondContact O-N 2.78Å
13L76.4Confident69.8Low105 Ų105113.7 Ų113.755%0.5559%0.59SS.*Hα-helixtrans-64.4-37.8176-75169.4000111.9K9 A10 A16 R17K9-L13 HydrophobicContact CG-CD1 4.33Å; K9-L13 WeakPolarHBondContact O-CB 3.36Å; K9-L13 VanDerWaalsContact O-CG 3.22Å; K9-L13 WeakPolarHBondContact O-CG 3.4Å; K9-L13 PolarHBondContact O-N 3.4Å; A10-L13 PolarHBondContact O-N 3.33Å; L13-A16 PolarHBondContact O-N 2.81Å; L13-R17 WeakPolarHBondContact O-CB 3.25Å; L13-R17 PolarHBondContact O-N 3.4Å
14D75.3Confident71.5Confident91 Ų91115.7 Ų115.749%0.48758%0.578SS.*Hα-helixtrans-72.5-41.5179-134.522.8000111.9A10 F12 A16 R17 Q18A10-D14 WeakPolarHBondContact O-CB 3.47Å; A10-D14 PolarHBondContact O-N 3.12Å; F12-D14 VanDerWaalsContact C-N 3.33Å; D14-A16 VanDerWaalsContact C-N 3.32Å; D14-A16 PolarHBondContact O-N 3.1Å; D14-R17 WeakPolarHBondContact O-CB 3.49Å; D14-R17 PolarHBondContact O-N 3.23Å; D14-Q18 PolarHBondContact O-N 2.61Å
15K77.1Confident73.2Confident152 Ų152115.9 Ų115.966%0.66156%0.562SS**Hα-helixtrans-61.5-39.8169.7-79.2-174.9176.7-178.10112.2Q11 R17 A19Q11-K15 WeakPolarHBondContact O-CB 3.26Å; Q11-K15 WeakPolarHBondContact O-CG 3.3Å; Q11-K15 PolarHBondContact O-N 2.74Å; K15-R17 VanDerWaalsContact C-N 3.33Å; K15-A19 VanDerWaalsContact O-CB 3.27Å; K15-A19 WeakPolarHBondContact O-CB 3.48Å; K15-A19 PolarHBondContact O-N 3.38Å
16A78.3Confident74.8Confident28 Ų28116.7 Ų116.723%0.23156%0.558CS.*Hα-helixtrans-69-32.2175.800000112.1F12 L13 D14 R20F12-A16 VanDerWaalsContact O-CB 3.23Å; F12-A16 WeakPolarHBondContact O-CB 3.44Å; F12-A16 PolarHBondContact O-N 2.78Å; L13-A16 PolarHBondContact O-N 2.81Å; D14-A16 VanDerWaalsContact C-N 3.32Å; D14-A16 PolarHBondContact O-N 3.1Å; A16-R20 WeakPolarHBondContact O-CB 3.45Å; A16-R20 WeakPolarHBondContact O-CD 3.47Å; A16-R20 WeakPolarHBondContact O-CG 3.38Å; A16-R20 PolarHBondContact O-N 3.38Å
17R79.3Confident76.4Confident150 Ų150114.5 Ų114.557%0.56655%0.545SS*.Hα-helixtrans-69.7-49.2173.5-176.3-177.7177.1170.81.7111.2L13 D14 K15 A19 R20 E21L13-R17 WeakPolarHBondContact O-CB 3.25Å; L13-R17 PolarHBondContact O-N 3.4Å; D14-R17 WeakPolarHBondContact O-CB 3.49Å; D14-R17 PolarHBondContact O-N 3.23Å; K15-R17 VanDerWaalsContact C-N 3.33Å; R17-A19 VanDerWaalsContact C-N 3.35Å; R17-A19 PolarHBondContact O-N 3.1Å; R17-R20 CarbonylContact O-C 3.51Å; R17-R20 WeakPolarHBondContact O-CA 3.05Å; R17-R20 WeakPolarHBondContact O-CB 3.29Å; R17-R20 PolarHBondContact O-N 3.42Å; R17-E21 IonicContact NE-OE1 2.85Å; R17-E21 IonicContact NH2-OE1 3.56Å; R17-E21 PolarHBondContact O-N 3.25Å
18Q79.4Confident77.9Confident111 Ų111115.2 Ų115.252%0.51954%0.54SS..Hα-helixtrans-57.1-46.9173.9-79.3-179.7-16.800111.2D14 R20 E21 E22D14-Q18 PolarHBondContact O-N 2.61Å; Q18-R20 PolarHBondContact O-N 3.16Å; Q18-E21 PolarHBondContact O-N 3.48Å; Q18-E21 VanDerWaalsContact O-N 3.15Å; Q18-E22 WeakPolarHBondContact O-CB 3.41Å; Q18-E22 WeakPolarHBondContact O-CG 3.43Å; Q18-E22 PolarHBondContact O-N 2.86Å
19A81.4Confident79.3Confident28 Ų28119.7 Ų119.723%0.23154%0.543CS..Hα-helixtrans-64.1-26.8175.900000113.4K15 R17 R23K15-A19 VanDerWaalsContact O-CB 3.27Å; K15-A19 WeakPolarHBondContact O-CB 3.48Å; K15-A19 PolarHBondContact O-N 3.38Å; R17-A19 VanDerWaalsContact C-N 3.35Å; R17-A19 PolarHBondContact O-N 3.1Å; A19-R23 WeakPolarHBondContact O-CB 3.22Å; A19-R23 WeakPolarHBondContact O-CG 3.47Å; A19-R23 PolarHBondContact O-N 3.16Å; A19-R23 PolarHBondContact O-NE 3.38Å
20R79.9Confident80.4Confident183 Ų183118.3 Ų118.369%0.69154%0.539SS*.Hα-helixtrans-77.1-39.4172.6-77.9170.2-171.9178.63.3111.7A16 R17 Q18 R23 R24A16-R20 WeakPolarHBondContact O-CB 3.45Å; A16-R20 WeakPolarHBondContact O-CD 3.47Å; A16-R20 WeakPolarHBondContact O-CG 3.38Å; A16-R20 PolarHBondContact O-N 3.38Å; R17-R20 CarbonylContact O-C 3.51Å; R17-R20 WeakPolarHBondContact O-CA 3.05Å; R17-R20 WeakPolarHBondContact O-CB 3.29Å; R17-R20 PolarHBondContact O-N 3.42Å; Q18-R20 PolarHBondContact O-N 3.16Å; R20-R23 PolarHBondContact O-N 3.27Å; R20-R24 WeakPolarHBondContact O-CB 3.31Å; R20-R24 PolarHBondContact O-N 2.67Å
21E80.7Confident81.5Confident92 Ų92123.2 Ų123.243%0.4355%0.545SS..Hα-helixtrans-64.3-47173.8-89.1165.3-174.200110.7R17 Q18 R23 R24 E25R17-E21 IonicContact NE-OE1 2.85Å; R17-E21 IonicContact NH2-OE1 3.56Å; R17-E21 PolarHBondContact O-N 3.25Å; Q18-E21 PolarHBondContact O-N 3.48Å; Q18-E21 VanDerWaalsContact O-N 3.15Å; E21-R23 PolarHBondContact O-N 3.14Å; E21-R24 CarbonylContact O-C 3.23Å; E21-R24 WeakPolarHBondContact O-CA 3.04Å; E21-R24 WeakPolarHBondContact O-CB 3.45Å; E21-R24 PolarHBondContact O-N 3.37Å; E21-E25 WeakPolarHBondContact O-CG 3.3Å; E21-E25 PolarHBondContact O-N 3Å
22E83.1Confident82.3Confident127 Ų127119.2 Ų119.259%0.59353%0.533SS*.Hα-helixtrans-57.6-45.6173.4-74.6177.8172.100111.8Q18 R24 E25 L26Q18-E22 WeakPolarHBondContact O-CB 3.41Å; Q18-E22 WeakPolarHBondContact O-CG 3.43Å; Q18-E22 PolarHBondContact O-N 2.86Å; E22-R24 VanDerWaalsContact C-N 3.29Å; E22-R24 PolarHBondContact O-N 3.29Å; E22-E25 PolarHBondContact O-N 3.46Å; E22-L26 WeakPolarHBondContact O-CB 3.47Å; E22-L26 PolarHBondContact O-N 3.43Å
23R82.9Confident83.1Confident169 Ų169114.3 Ų114.364%0.63852%0.519SS*.Hα-helixtrans-64.7-32.6175-74.9176.4-144.41783.3112.8A19 R20 E21 K27A19-R23 WeakPolarHBondContact O-CB 3.22Å; A19-R23 WeakPolarHBondContact O-CG 3.47Å; A19-R23 PolarHBondContact O-N 3.16Å; A19-R23 PolarHBondContact O-NE 3.38Å; R20-R23 PolarHBondContact O-N 3.27Å; E21-R23 PolarHBondContact O-N 3.14Å; R23-K27 WeakPolarHBondContact O-CB 3.47Å; R23-K27 VanDerWaalsContact O-CG 3.29Å; R23-K27 WeakPolarHBondContact O-CG 3.38Å; R23-K27 PolarHBondContact O-N 3.45Å
24R82.5Confident83.8Confident165 Ų165114.1 Ų114.162%0.62352%0.518SS*.Hα-helixtrans-70.3-46.8176.2-179.1-177172173.40.1110.2R20 E21 E22 L26 K27 E28R20-R24 WeakPolarHBondContact O-CB 3.31Å; R20-R24 PolarHBondContact O-N 2.67Å; E21-R24 CarbonylContact O-C 3.23Å; E21-R24 WeakPolarHBondContact O-CA 3.04Å; E21-R24 WeakPolarHBondContact O-CB 3.45Å; E21-R24 PolarHBondContact O-N 3.37Å; E22-R24 VanDerWaalsContact C-N 3.29Å; E22-R24 PolarHBondContact O-N 3.29Å; R24-L26 VanDerWaalsContact C-N 3.32Å; R24-L26 PolarHBondContact O-N 3.3Å; R24-K27 PolarHBondContact O-N 2.6Å; R24-E28 IonicContact CZ-OE1 3.53Å; R24-E28 IonicContact NE-OE1 3.83Å; R24-E28 PolarHBondContact NE-OE1 2.94Å; R24-E28 IonicContact NH2-OE1 2.85Å; R24-E28 WeakPolarHBondContact O-CG 3.35Å; R24-E28 PolarHBondContact O-N 3.38Å
25E83.2Confident84.5Confident108 Ų108116.1 Ų116.151%0.50552%0.524SS..Hα-helixtrans-60.2-41.3174.8-73.5-171174.600111.7E21 E22 E28 R29E21-E25 WeakPolarHBondContact O-CG 3.3Å; E21-E25 PolarHBondContact O-N 3Å; E22-E25 PolarHBondContact O-N 3.46Å; E25-E28 PolarHBondContact O-N 3.13Å; E25-R29 WeakPolarHBondContact O-CB 3.21Å; E25-R29 WeakPolarHBondContact O-CG 3.41Å; E25-R29 PolarHBondContact O-N 3.28Å
26L86.6Confident85.2Confident118 Ų118114 Ų11462%0.61852%0.519SS*.Hα-helixtrans-65-41.6177.2-136.1136.1000111.5E22 R24 R29 E30E22-L26 WeakPolarHBondContact O-CB 3.47Å; E22-L26 PolarHBondContact O-N 3.43Å; R24-L26 VanDerWaalsContact C-N 3.32Å; R24-L26 PolarHBondContact O-N 3.3Å; L26-R29 PolarHBondContact O-N 2.83Å; L26-E30 WeakPolarHBondContact O-CB 3.21Å; L26-E30 PolarHBondContact O-N 3.37Å
27K86.4Confident85.8Confident129 Ų129117.4 Ų117.456%0.56153%0.53SS*.Hα-helixtrans-64.7-37.6172.6-78.5177.9179.4-1760112.7R23 R24 R31R23-K27 WeakPolarHBondContact O-CB 3.47Å; R23-K27 VanDerWaalsContact O-CG 3.29Å; R23-K27 WeakPolarHBondContact O-CG 3.38Å; R23-K27 PolarHBondContact O-N 3.45Å; R24-K27 PolarHBondContact O-N 2.6Å; K27-R31 WeakPolarHBondContact O-CB 3.45Å; K27-R31 WeakPolarHBondContact O-CG 3.46Å; K27-R31 PolarHBondContact O-N 3.14Å
28E86.5Confident86.4Confident95 Ų95112.9 Ų112.944%0.44453%0.525SS..Hα-helixtrans-68-41.8175.9-76.5177.3-170.200111R24 E25 R31 A32R24-E28 IonicContact CZ-OE1 3.53Å; R24-E28 IonicContact NE-OE1 3.83Å; R24-E28 PolarHBondContact NE-OE1 2.94Å; R24-E28 IonicContact NH2-OE1 2.85Å; R24-E28 WeakPolarHBondContact O-CG 3.35Å; R24-E28 PolarHBondContact O-N 3.38Å; E25-E28 PolarHBondContact O-N 3.13Å; E28-R31 PolarHBondContact O-N 2.65Å; E28-A32 WeakPolarHBondContact O-CB 3.48Å; E28-A32 PolarHBondContact O-N 3.25Å
29R87.1Confident87Confident181 Ų181113 Ų11368%0.68353%0.529SS*.Hα-helixtrans-61.4-43.1172.1-74.5-179.5-174.7178.55.5112.3E25 L26 A32 A33E25-R29 WeakPolarHBondContact O-CB 3.21Å; E25-R29 WeakPolarHBondContact O-CG 3.41Å; E25-R29 PolarHBondContact O-N 3.28Å; L26-R29 PolarHBondContact O-N 2.83Å; R29-A32 PolarHBondContact O-N 3.37Å; R29-A33 WeakPolarHBondContact O-CB 3.48Å; R29-A33 PolarHBondContact O-N 3.22Å
30E90.3Very high87.5Confident121 Ų121115.1 Ų115.157%0.56554%0.538SS*.Hα-helixtrans-65.9-43.1178.2-168.7176.8-170.200111.6L26 A32 A33 I34L26-E30 WeakPolarHBondContact O-CB 3.21Å; L26-E30 PolarHBondContact O-N 3.37Å; E30-A32 PolarHBondContact O-N 3.1Å; E30-A33 PolarHBondContact O-N 3.01Å; E30-I34 HydrophobicContact CG-CD1 4.39Å; E30-I34 VanDerWaalsContact O-CG1 3.31Å; E30-I34 WeakPolarHBondContact O-CG1 3.42Å; E30-I34 PolarHBondContact O-N 3.12Å
31R89.9Confident88.1Confident164 Ų164114.9 Ų114.962%0.61954%0.537SS*.Hα-helixtrans-60.8-44.6172.6-76.8-177.5-157.2170.95.3112.2K27 E28 A33 I34 Q35K27-R31 WeakPolarHBondContact O-CB 3.45Å; K27-R31 WeakPolarHBondContact O-CG 3.46Å; K27-R31 PolarHBondContact O-N 3.14Å; E28-R31 PolarHBondContact O-N 2.65Å; R31-A33 VanDerWaalsContact C-N 3.33Å; R31-I34 PolarHBondContact O-N 3.09Å; R31-Q35 WeakPolarHBondContact O-CG 3.47Å; R31-Q35 PolarHBondContact O-N 2.79Å
32A87.2Confident88.6Confident42 Ų42118.8 Ų118.835%0.34755%0.548SS..Hα-helixtrans-61.3-43.3176.700000110.9E28 R29 E30 I34 Q35 I36E28-A32 WeakPolarHBondContact O-CB 3.48Å; E28-A32 PolarHBondContact O-N 3.25Å; R29-A32 PolarHBondContact O-N 3.37Å; E30-A32 PolarHBondContact O-N 3.1Å; A32-I34 PolarHBondContact O-N 2.74Å; A32-Q35 PolarHBondContact O-N 3.16Å; A32-I36 WeakPolarHBondContact O-CB 3.34Å; A32-I36 VanDerWaalsContact O-CG1 3.25Å; A32-I36 WeakPolarHBondContact O-CG1 3.39Å; A32-I36 PolarHBondContact O-N 3.19Å
33A90.8Very high89Confident42 Ų42118.7 Ų118.735%0.34755%0.546SS..Hα-helixtrans-60.6-43.617600000112.2R29 E30 R31 Q35 I36 Q37R29-A33 WeakPolarHBondContact O-CB 3.48Å; R29-A33 PolarHBondContact O-N 3.22Å; E30-A33 PolarHBondContact O-N 3.01Å; R31-A33 VanDerWaalsContact C-N 3.33Å; A33-Q35 PolarHBondContact O-N 3.07Å; A33-I36 PolarHBondContact O-N 3.26Å; A33-Q37 WeakPolarHBondContact O-CB 3.2Å; A33-Q37 VanDerWaalsContact O-CG 3.22Å; A33-Q37 WeakPolarHBondContact O-CG 3.45Å; A33-Q37 PolarHBondContact O-N 2.94Å
34I91.3Very high89.4Confident100 Ų100115.4 Ų115.451%0.51354%0.541SS..Hα-helixtrans-61.4-44.2176.2-68.3165000111.1E30 R31 A32 Q37 A38E30-I34 HydrophobicContact CG-CD1 4.39Å; E30-I34 VanDerWaalsContact O-CG1 3.31Å; E30-I34 WeakPolarHBondContact O-CG1 3.42Å; E30-I34 PolarHBondContact O-N 3.12Å; R31-I34 PolarHBondContact O-N 3.09Å; A32-I34 PolarHBondContact O-N 2.74Å; I34-Q37 PolarHBondContact O-N 2.83Å; I34-A38 WeakPolarHBondContact O-CB 3.33Å; I34-A38 PolarHBondContact O-N 2.86Å
35Q90.1Very high89.9Confident134 Ų134111.7 Ų111.763%0.62654%0.539SS*.Hα-helixtrans-64.7-44.2178.2-73.1-179-1200112R31 A32 A33 A38 L39R31-Q35 WeakPolarHBondContact O-CG 3.47Å; R31-Q35 PolarHBondContact O-N 2.79Å; A32-Q35 PolarHBondContact O-N 3.16Å; A33-Q35 PolarHBondContact O-N 3.07Å; Q35-A38 PolarHBondContact O-N 2.88Å; Q35-L39 WeakPolarHBondContact O-CG 3.22Å; Q35-L39 PolarHBondContact O-N 2.96Å
36I91.4Very high90.1Very high106 Ų106113.6 Ų113.654%0.54454%0.542SS..Hα-helixtrans-61-47.8175.5-68165.8000110A32 A33 A38 L39 V40A32-I36 WeakPolarHBondContact O-CB 3.34Å; A32-I36 VanDerWaalsContact O-CG1 3.25Å; A32-I36 WeakPolarHBondContact O-CG1 3.39Å; A32-I36 PolarHBondContact O-N 3.19Å; A33-I36 PolarHBondContact O-N 3.26Å; I36-A38 VanDerWaalsContact C-N 3.34Å; I36-A38 PolarHBondContact O-N 3.24Å; I36-L39 PolarHBondContact O-N 3.06Å; I36-V40 HydrophobicContact CG2-CG2 4.28Å; I36-V40 WeakPolarHBondContact O-CB 3.38Å; I36-V40 VanDerWaalsContact O-CG2 3.28Å; I36-V40 WeakPolarHBondContact O-CG2 3.48Å; I36-V40 PolarHBondContact O-N 2.96Å
37Q91.9Very high90.2Very high101 Ų101109 Ų10947%0.47252%0.519SS..Hα-helixtrans-60.8-41.5178-74.9176.81.300112.2A33 I34 V40 R41A33-Q37 WeakPolarHBondContact O-CB 3.2Å; A33-Q37 VanDerWaalsContact O-CG 3.22Å; A33-Q37 WeakPolarHBondContact O-CG 3.45Å; A33-Q37 PolarHBondContact O-N 2.94Å; I34-Q37 PolarHBondContact O-N 2.83Å; Q37-V40 PolarHBondContact O-N 3.2Å; Q37-R41 WeakPolarHBondContact O-CB 3.45Å; Q37-R41 VanDerWaalsContact O-CG 3.27Å; Q37-R41 WeakPolarHBondContact O-CG 3.31Å; Q37-R41 PolarHBondContact O-N 2.97Å
38A91.9Very high90.4Very high55 Ų55107.6 Ų107.646%0.45551%0.514SS..Hα-helixtrans-63.5-43.1176.400000111.9I34 Q35 I36 R42I34-A38 WeakPolarHBondContact O-CB 3.33Å; I34-A38 PolarHBondContact O-N 2.86Å; Q35-A38 PolarHBondContact O-N 2.88Å; I36-A38 VanDerWaalsContact C-N 3.34Å; I36-A38 PolarHBondContact O-N 3.24Å; A38-R42 WeakPolarHBondContact O-CB 3.49Å; A38-R42 PolarHBondContact O-N 3.45Å
39L91.7Very high90.6Very high114 Ų114106.8 Ų106.860%0.59751%0.512SS*.Hα-helixtrans-63.6-44175.5-73.7171.3000111.9Q35 I36 R42 F43Q35-L39 WeakPolarHBondContact O-CG 3.22Å; Q35-L39 PolarHBondContact O-N 2.96Å; I36-L39 PolarHBondContact O-N 3.06Å; L39-R42 PolarHBondContact O-N 3.39Å; L39-F43 WeakPolarHBondContact O-CB 3.41Å; L39-F43 PolarHBondContact O-N 2.96Å
40V92.2Very high90.7Very high72 Ų72100.9 Ų100.944%0.43649%0.492SS..Hα-helixtrans-64.8-45.7177.7172.50000111.1I36 Q37 R42 F43 L44I36-V40 HydrophobicContact CG2-CG2 4.28Å; I36-V40 WeakPolarHBondContact O-CB 3.38Å; I36-V40 VanDerWaalsContact O-CG2 3.28Å; I36-V40 WeakPolarHBondContact O-CG2 3.48Å; I36-V40 PolarHBondContact O-N 2.96Å; Q37-V40 PolarHBondContact O-N 3.2Å; V40-R42 VanDerWaalsContact C-N 3.32Å; V40-R42 PolarHBondContact O-N 3.02Å; V40-F43 PolarHBondContact O-N 2.63Å; V40-L44 HydrophobicContact CG1-CD1 3.92Å; V40-L44 HydrophobicContact CG1-CG 4.27Å; V40-L44 WeakPolarHBondContact O-CB 3.14Å; V40-L44 WeakPolarHBondContact O-CG 3.38Å; V40-L44 PolarHBondContact O-N 3.47Å
41R92.9Very high90.7Very high178 Ų178102 Ų10267%0.67249%0.491SS*.Hα-helixtrans-59.9-42.7175.5-74174.9-175.1173.33.9111.6Q37 L44 C45Q37-R41 WeakPolarHBondContact O-CB 3.45Å; Q37-R41 VanDerWaalsContact O-CG 3.27Å; Q37-R41 WeakPolarHBondContact O-CG 3.31Å; Q37-R41 PolarHBondContact O-N 2.97Å; R41-L44 PolarHBondContact O-N 3.21Å; R41-C45 VanDerWaalsContact O-CB 3.27Å; R41-C45 WeakPolarHBondContact O-CB 3.44Å; R41-C45 PolarHBondContact O-N 3.19Å
42R91.8Very high90.8Very high174 Ų17498.6 Ų98.666%0.65748%0.483SS*.Hα-helixtrans-63-42.7175.7-174.7179-179.2-175.70.6111.7A38 L39 V40 R46A38-R42 WeakPolarHBondContact O-CB 3.49Å; A38-R42 PolarHBondContact O-N 3.45Å; L39-R42 PolarHBondContact O-N 3.39Å; V40-R42 VanDerWaalsContact C-N 3.32Å; V40-R42 PolarHBondContact O-N 3.02Å; R42-R46 VanDerWaalsContact O-CG 3.31Å; R42-R46 WeakPolarHBondContact O-CG 3.49Å; R42-R46 PolarHBondContact O-N 3.17Å
43F90.6Very high91Very high125 Ų12597.4 Ų97.455%0.54847%0.47SS..Hα-helixtrans-62.8-49.9176.2175.4-101.2000111.6L39 V40 C45 R46 C47L39-F43 WeakPolarHBondContact O-CB 3.41Å; L39-F43 PolarHBondContact O-N 2.96Å; V40-F43 PolarHBondContact O-N 2.63Å; F43-C45 VanDerWaalsContact C-N 3.34Å; F43-C45 PolarHBondContact O-N 3.36Å; F43-R46 WeakPolarHBondContact O-CB 3.37Å; F43-R46 PolarHBondContact O-N 3.38Å; F43-C47 PolarHBondContact O-N 3.31Å; F43-C47 PolarHBondContact O-SG 3.44Å; F43-C47 VanDerWaalsContact O-SG 3.35Å
44L91.6Very high91Very high100 Ų10096.7 Ų96.752%0.52446%0.459SS..Hα-helixtrans-61-41.1178.2-70.1174.9000112.3V40 R41 C47 H48V40-L44 HydrophobicContact CG1-CD1 3.92Å; V40-L44 HydrophobicContact CG1-CG 4.27Å; V40-L44 WeakPolarHBondContact O-CB 3.14Å; V40-L44 WeakPolarHBondContact O-CG 3.38Å; V40-L44 PolarHBondContact O-N 3.47Å; R41-L44 PolarHBondContact O-N 3.21Å; L44-C47 PolarHBondContact O-N 3.44Å; L44-H48 WeakPolarHBondContact O-CB 3.41Å; L44-H48 PolarHBondContact O-N 2.93Å
45C91.7Very high90.9Very high87 Ų8798.3 Ų98.359%0.58846%0.458SS*.Hα-helixtrans-62-44.5175.3-178.50000111.7R41 F43 C47 H48 L49R41-C45 VanDerWaalsContact O-CB 3.27Å; R41-C45 WeakPolarHBondContact O-CB 3.44Å; R41-C45 PolarHBondContact O-N 3.19Å; F43-C45 VanDerWaalsContact C-N 3.34Å; F43-C45 PolarHBondContact O-N 3.36Å; C45-C47 PolarHBondContact O-N 3.39Å; C45-H48 PolarHBondContact O-N 3.26Å; C45-L49 WeakPolarHBondContact O-CB 3.29Å; C45-L49 PolarHBondContact O-N 3.13Å
46R88.3Confident90.9Very high148 Ų14895.5 Ų95.556%0.55845%0.445SS*.Hα-helixtrans-60.3-44.5173.7-72.4172.765.7-164.80.2111.8R42 F43 H48 L49 Q50R42-R46 VanDerWaalsContact O-CG 3.31Å; R42-R46 WeakPolarHBondContact O-CG 3.49Å; R42-R46 PolarHBondContact O-N 3.17Å; F43-R46 WeakPolarHBondContact O-CB 3.37Å; F43-R46 PolarHBondContact O-N 3.38Å; R46-H48 VanDerWaalsContact C-N 3.33Å; R46-H48 PolarHBondContact O-N 2.94Å; R46-L49 PolarHBondContact O-N 3.5Å; R46-Q50 WeakPolarHBondContact O-CB 3.47Å; R46-Q50 WeakPolarHBondContact O-CG 3.39Å; R46-Q50 PolarHBondContact O-N 2.92Å
47C88.5Confident90.8Very high21 Ų2190.4 Ų90.414%0.14242%0.419CS..Hα-helixtrans-63.2-39.9176.8-68.20000112F43 L44 C45 R51F43-C47 PolarHBondContact O-N 3.31Å; F43-C47 PolarHBondContact O-SG 3.44Å; F43-C47 VanDerWaalsContact O-SG 3.35Å; L44-C47 PolarHBondContact O-N 3.44Å; C45-C47 PolarHBondContact O-N 3.39Å; C47-R51 VanDerWaalsContact O-CG 3.3Å; C47-R51 WeakPolarHBondContact O-CG 3.5Å; C47-R51 PolarHBondContact O-N 3.4Å
48H91.1Very high90.7Very high100 Ų10088.6 Ų88.646%0.46341%0.411SS..Hα-helixtrans-63.7-51.3177.3-166.576000110.9L44 C45 R46 Q50 R51 E52L44-H48 WeakPolarHBondContact O-CB 3.41Å; L44-H48 PolarHBondContact O-N 2.93Å; C45-H48 PolarHBondContact O-N 3.26Å; R46-H48 VanDerWaalsContact C-N 3.33Å; R46-H48 PolarHBondContact O-N 2.94Å; H48-Q50 VanDerWaalsContact C-N 3.32Å; H48-Q50 PolarHBondContact O-N 3.43Å; H48-R51 PolarHBondContact O-N 3.06Å; H48-R51 VanDerWaalsContact O-N 3.11Å; H48-E52 WeakPolarHBondContact O-CB 3.38Å; H48-E52 PolarHBondContact O-N 3.05Å
49L90.2Very high90.5Very high77 Ų7790.7 Ų90.740%0.40341%0.414SS..Hα-helixtrans-58.1-42.3177.1-179.764.1000112.1C45 R46 R51 E52 I53 F85C45-L49 WeakPolarHBondContact O-CB 3.29Å; C45-L49 PolarHBondContact O-N 3.13Å; R46-L49 PolarHBondContact O-N 3.5Å; L49-R51 PolarHBondContact O-N 3.36Å; L49-E52 PolarHBondContact O-N 3.21Å; L49-I53 HydrophobicContact CD1-CD1 3.92Å; L49-I53 HydrophobicContact CD1-CG1 4.24Å; L49-I53 HydrophobicContact CG-CD1 3.88Å; L49-I53 WeakPolarHBondContact O-CB 3.42Å; L49-I53 WeakPolarHBondContact O-CG1 3.44Å; L49-I53 PolarHBondContact O-N 2.94Å; L49-F85 HydrophobicContact CD2-CE1 4.49Å
50Q89.9Confident90.3Very high57 Ų5787.3 Ų87.327%0.26640%0.395SS..Hα-helixtrans-61.7-42.6176-75.9174.7-21.600112.1R46 H48 R54 V86R46-Q50 WeakPolarHBondContact O-CB 3.47Å; R46-Q50 WeakPolarHBondContact O-CG 3.39Å; R46-Q50 PolarHBondContact O-N 2.92Å; H48-Q50 VanDerWaalsContact C-N 3.32Å; H48-Q50 PolarHBondContact O-N 3.43Å; Q50-R54 WeakPolarHBondContact O-CB 3.5Å; Q50-R54 VanDerWaalsContact O-CG 3.24Å; Q50-R54 WeakPolarHBondContact O-CG 3.29Å; Q50-R54 PolarHBondContact O-N 3.3Å; Q50-V86 HydrophobicContact CG-CB 4.11Å; Q50-V86 HydrophobicContact CG-CG1 3.92Å
51R89Confident89.9Confident144 Ų14484.8 Ų84.854%0.54338%0.378SS..Hα-helixtrans-68-36.4176.2-70.7176.7-156.91544112.4C47 H48 L49 R55C47-R51 VanDerWaalsContact O-CG 3.3Å; C47-R51 WeakPolarHBondContact O-CG 3.5Å; C47-R51 PolarHBondContact O-N 3.4Å; H48-R51 PolarHBondContact O-N 3.06Å; H48-R51 VanDerWaalsContact O-N 3.11Å; L49-R51 PolarHBondContact O-N 3.36Å; R51-R55 PolarHBondContact O-N 3.48Å
52E92.5Very high89.3Confident94 Ų9482 Ų8244%0.43937%0.373SS..Hα-helixtrans-65.6-50.4177.9-143.8-179.1178.600110.3H48 L49 R54 R55 E56H48-E52 WeakPolarHBondContact O-CB 3.38Å; H48-E52 PolarHBondContact O-N 3.05Å; L49-E52 PolarHBondContact O-N 3.21Å; E52-R54 VanDerWaalsContact C-N 3.32Å; E52-R54 PolarHBondContact O-N 3.14Å; E52-R55 PolarHBondContact O-N 3.47Å; E52-E56 WeakPolarHBondContact O-CG 3.36Å; E52-E56 PolarHBondContact O-N 2.91Å
53I91.1Very high88Confident16 Ų1677.2 Ų77.28%0.08237%0.37CS..Hα-helixtrans-59.5-42.2176-70.8170.1000111.4L49 E56 V57 K82 F85 V86L49-I53 HydrophobicContact CD1-CD1 3.92Å; L49-I53 HydrophobicContact CD1-CG1 4.24Å; L49-I53 HydrophobicContact CG-CD1 3.88Å; L49-I53 WeakPolarHBondContact O-CB 3.42Å; L49-I53 WeakPolarHBondContact O-CG1 3.44Å; L49-I53 PolarHBondContact O-N 2.94Å; I53-E56 PolarHBondContact O-N 3.1Å; I53-V57 HydrophobicContact CG2-CG2 4.45Å; I53-V57 WeakPolarHBondContact O-CG2 3.45Å; I53-V57 PolarHBondContact O-N 3.12Å; I53-K82 HydrophobicContact CG2-CB 3.98Å; I53-F85 HydrophobicContact CD1-CD1 4.13Å; I53-V86 HydrophobicContact CB-CG1 4.36Å; I53-V86 HydrophobicContact CB-CG2 4.29Å; I53-V86 HydrophobicContact CD1-CG1 3.62Å; I53-V86 HydrophobicContact CG2-CG1 4.26Å; I53-V86 HydrophobicContact CG2-CG2 3.61Å
54R90.9Very high86.5Confident28 Ų2874.9 Ų74.911%0.10636%0.363CS..Hα-helixtrans-64.7-40178.4-77.1171.1178.9157-1.9112.6Q50 E52 V57 E58 E91 D92Q50-R54 WeakPolarHBondContact O-CB 3.5Å; Q50-R54 VanDerWaalsContact O-CG 3.24Å; Q50-R54 WeakPolarHBondContact O-CG 3.29Å; Q50-R54 PolarHBondContact O-N 3.3Å; E52-R54 VanDerWaalsContact C-N 3.32Å; E52-R54 PolarHBondContact O-N 3.14Å; R54-V57 PolarHBondContact O-N 3.35Å; R54-E58 WeakPolarHBondContact O-CG 3.3Å; R54-E58 PolarHBondContact O-N 3.22Å; R54-E91 IonicContact CZ-OE2 3.96Å; R54-E91 IonicContact NH1-OE2 2.91Å; R54-E91 PolarHBondContact NH1-OE2 3.22Å; R54-E91 IonicContact NH2-OE2 2.58Å; R54-E91 PolarHBondContact NH2-OE2 3.19Å; R54-D92 IonicContact CZ-OD1 2.86Å; R54-D92 IonicContact CZ-OD2 3.11Å; R54-D92 IonicContact NE-OD1 2.61Å; R54-D92 PolarHBondContact NE-OD1 2.6Å; R54-D92 VanDerWaalsContact NE-OD1 3.16Å; R54-D92 IonicContact NE-OD2 3.72Å; R54-D92 IonicContact NH2-OD1 3.08Å; R54-D92 IonicContact NH2-OD2 3.36Å; R54-D92 PolarHBondContact NH2-OD2 3.05Å; R54-D92 VanDerWaalsContact NH2-OD2 3.1Å
55R89.8Confident84.8Confident134 Ų13478.5 Ų78.551%0.50638%0.377SS..Hα-helixtrans-62.4-47.4173.2-85.6-174.5-82.4175.2-2.6111.7R51 E52 V57 E58 D59R51-R55 PolarHBondContact O-N 3.48Å; E52-R55 PolarHBondContact O-N 3.47Å; R55-V57 PolarHBondContact O-N 3.01Å; R55-E58 PolarHBondContact O-N 3.31Å; R55-D59 WeakPolarHBondContact O-CB 3.13Å; R55-D59 PolarHBondContact O-N 2.62Å
56E90.8Very high82.7Confident74 Ų7479.2 Ų79.235%0.34638%0.384SS..Hα-helixtrans-57.1-36.6175.5-69.6-178.5144.700112.8E52 I53 F60 K82E52-E56 WeakPolarHBondContact O-CG 3.36Å; E52-E56 PolarHBondContact O-N 2.91Å; I53-E56 PolarHBondContact O-N 3.1Å; E56-F60 VanDerWaalsContact O-CB 3.31Å; E56-F60 WeakPolarHBondContact O-CB 3.3Å; E56-F60 PolarHBondContact O-N 3.22Å; E56-F60 VanDerWaalsContact O-N 3.1Å; E56-K82 IonicContact OE1-NZ 2.89Å; E56-K82 PolarHBondContact OE1-NZ 3.09Å; E56-K82 VanDerWaalsContact OE2-CD 3.31Å; E56-K82 WeakPolarHBondContact OE2-CD 3.31Å; E56-K82 WeakPolarHBondContact OE2-CE 3.35Å; E56-K82 IonicContact OE2-NZ 2.74Å; E56-K82 PolarHBondContact OE2-NZ 2.72Å
57V89.5Confident80.8Confident0 Ų074.9 Ų74.90%039%0.385CS..Hα-helixtrans-69.4-42.8176.71730000110.9I53 R54 R55 F60 F61 I79 L83 R95I53-V57 HydrophobicContact CG2-CG2 4.45Å; I53-V57 WeakPolarHBondContact O-CG2 3.45Å; I53-V57 PolarHBondContact O-N 3.12Å; R54-V57 PolarHBondContact O-N 3.35Å; R55-V57 PolarHBondContact O-N 3.01Å; V57-F60 PolarHBondContact O-N 3.37Å; V57-F61 HydrophobicContact CG1-CD2 3.79Å; V57-F61 HydrophobicContact CG1-CE2 3.54Å; V57-F61 WeakPolarHBondContact O-CD2 3.35Å; V57-F61 PolarHBondContact O-N 3.01Å; V57-F61 VanDerWaalsContact O-N 3.16Å; V57-I79 HydrophobicContact CG1-CG2 4.32Å; V57-I79 HydrophobicContact CG2-CG2 4.12Å; V57-L83 HydrophobicContact CG1-CD1 4.37Å; V57-L83 HydrophobicContact CG1-CD2 4.44Å; V57-L83 HydrophobicContact CG2-CB 4.15Å; V57-R95 HydrophobicContact CG1-CB 4.44Å
58E88.6Confident78.9Confident63 Ų6379.9 Ų79.929%0.29442%0.42SS..Hα-helixtrans-63.1-51.8176.2-76.3165.4-178.300111.7R54 R55 F60 F61 E62 R95R54-E58 WeakPolarHBondContact O-CG 3.3Å; R54-E58 PolarHBondContact O-N 3.22Å; R55-E58 PolarHBondContact O-N 3.31Å; E58-F60 PolarHBondContact O-N 2.87Å; E58-F61 CarbonylContact O-C 3.58Å; E58-F61 WeakPolarHBondContact O-CA 3.48Å; E58-F61 PolarHBondContact O-N 3.32Å; E58-E62 PolarHBondContact O-N 3.03Å; E58-R95 IonicContact OE1-CZ 3.19Å; E58-R95 IonicContact OE1-NE 2.62Å; E58-R95 PolarHBondContact OE1-NE 3.15Å; E58-R95 IonicContact OE1-NH2 3.05Å; E58-R95 PolarHBondContact OE1-NH2 2.89Å
59D88.3Confident77.1Confident99 Ų9979.2 Ų79.253%0.52943%0.427SS..Hα-helixtrans-54.8-42.1177.1-64.8-19.3000110.8R55 F61 A63R55-D59 WeakPolarHBondContact O-CB 3.13Å; R55-D59 PolarHBondContact O-N 2.62Å; D59-F61 VanDerWaalsContact C-N 3.31Å; D59-F61 PolarHBondContact O-N 2.81Å; D59-A63 WeakPolarHBondContact O-CB 3.46Å; D59-A63 PolarHBondContact O-N 3.29Å
60F87.1Confident75.9Confident43 Ų4382 Ų8219%0.18944%0.435CS..Hα-helixtrans-59.9-42.5175.6179.7-103.6000111.6E56 V57 E58 R71 V76 I79E56-F60 VanDerWaalsContact O-CB 3.31Å; E56-F60 WeakPolarHBondContact O-CB 3.3Å; E56-F60 PolarHBondContact O-N 3.22Å; E56-F60 VanDerWaalsContact O-N 3.1Å; V57-F60 PolarHBondContact O-N 3.37Å; E58-F60 PolarHBondContact O-N 2.87Å; F60-R71 VanDerWaalsContact CZ-CD 3.47Å; F60-R71 HydrophobicContact CZ-CG 4.2Å; F60-R71 PolarHBondContact O-NH2 3.42Å; F60-V76 HydrophobicContact CZ-CG2 4.38Å; F60-I79 HydrophobicContact CB-CD1 4Å; F60-I79 HydrophobicContact CB-CG1 4.23Å; F60-I79 HydrophobicContact CB-CG2 4.49Å; F60-I79 HydrophobicContact CD1-CB 4.09Å; F60-I79 HydrophobicContact CD1-CD1 4.49Å; F60-I79 HydrophobicContact CD1-CG1 3.81Å; F60-I79 HydrophobicContact CD1-CG2 3.74Å; F60-I79 HydrophobicContact CD2-CD1 4.12Å; F60-I79 HydrophobicContact CD2-CG1 3.74Å; F60-I79 HydrophobicContact CE1-CB 4.11Å; F60-I79 HydrophobicContact CE1-CG1 3.94Å; F60-I79 HydrophobicContact CE1-CG2 4.14Å; F60-I79 HydrophobicContact CE2-CG1 3.9Å; F60-I79 HydrophobicContact CG-CB 4.43Å; F60-I79 HydrophobicContact CG-CD1 3.97Å; F60-I79 HydrophobicContact CG-CG1 3.66Å; F60-I79 HydrophobicContact CG-CG2 4.22Å; F60-I79 HydrophobicContact CZ-CB 4.49Å; F60-I79 HydrophobicContact CZ-CG1 3.98Å
61F83.9Confident75.1Confident19 Ų1980.8 Ų80.88%0.08343%0.428CS..Hα-helixtrans-75.4-39.4-178.9-74-61.6000113.8V57 E58 D59 R71 K98 L99 C102V57-F61 HydrophobicContact CG1-CD2 3.79Å; V57-F61 HydrophobicContact CG1-CE2 3.54Å; V57-F61 WeakPolarHBondContact O-CD2 3.35Å; V57-F61 PolarHBondContact O-N 3.01Å; V57-F61 VanDerWaalsContact O-N 3.16Å; E58-F61 CarbonylContact O-C 3.58Å; E58-F61 WeakPolarHBondContact O-CA 3.48Å; E58-F61 PolarHBondContact O-N 3.32Å; D59-F61 VanDerWaalsContact C-N 3.31Å; D59-F61 PolarHBondContact O-N 2.81Å; F61-R71 PolarHBondContact O-NH2 3.03Å; F61-K98 HydrophobicContact CB-CD 4.14Å; F61-K98 HydrophobicContact CD1-CB 3.91Å; F61-K98 HydrophobicContact CD2-CB 4.11Å; F61-K98 HydrophobicContact CE1-CB 4.15Å; F61-K98 HydrophobicContact CE2-CB 4.29Å; F61-K98 HydrophobicContact CG-CB 3.96Å; F61-K98 HydrophobicContact CG-CD 4.37Å; F61-K98 HydrophobicContact CZ-CB 4.35Å; F61-L99 HydrophobicContact CE2-CB 4.47Å; F61-L99 HydrophobicContact CZ-CB 3.84Å; F61-L99 HydrophobicContact CZ-CD1 4.15Å; F61-C102 HydrophobicContact CE1-CB 3.96Å
62E79.7Confident74.9Confident120 Ų12076.6 Ų76.656%0.56142%0.421SS*.Hα-helixtrans-67-35.7-179.6-73.4-174.9176.900113.4E58 N64 E65E58-E62 PolarHBondContact O-N 3.03Å; E62-N64 PolarHBondContact O-N 2.92Å; E62-E65 PolarHBondContact O-N 3.16Å; E62-E65 VanDerWaalsContact O-N 3.12Å
63A66.3Low74.6Confident72 Ų7272.2 Ų72.260%0.59540%0.401SS*.THydrogen-bonded Turntrans-60-0.3178.900000115.5D59 S66D59-A63 WeakPolarHBondContact O-CB 3.46Å; D59-A63 PolarHBondContact O-N 3.29Å; A63-S66 PolarHBondContact O-OG 3.36Å
64N57.2Low74.4Confident76 Ų7674.7 Ų74.741%0.40641%0.414SS..THydrogen-bonded Turntrans-112.6-14.7-177.9-168.143.8000113.8E62 S66E62-N64 PolarHBondContact O-N 2.92Å; N64-S66 PolarHBondContact O-N 2.58Å
65E55.9Low74.3Confident176 Ų17674.9 Ų74.982%0.82242%0.42SS*.THydrogen-bonded Turntrans-70.5-19.4172-68.5-166170.100111.9E62 G67E62-E65 PolarHBondContact O-N 3.16Å; E62-E65 VanDerWaalsContact O-N 3.12Å; E65-G67 PolarHBondContact O-N 3.42Å
66S49.3Very low74.3Confident103 Ų10368.6 Ų68.672%0.7240%0.397SS*.THydrogen-bonded Turntrans-84.84.2-18053.70000115.8A63 N64A63-S66 PolarHBondContact O-OG 3.36Å; N64-S66 PolarHBondContact O-N 2.58Å
67G48.3Very low74.3Confident57 Ų5765.3 Ų65.359%0.58838%0.381SS*.SBendtrans80.8131173.200000115.9E65E65-G67 PolarHBondContact O-N 3.42Å
68S46.9Very low74.4Confident126 Ų12673.1 Ų73.188%0.88141%0.411SS*.  trans9634.6158.4-164.70000121.4
69S53.6Low74.5Confident86 Ų8671.1 Ų71.160%0.60140%0.401SS*.  trans-140.3111161.7-174.10000114.2R71S69-R71 PolarHBondContact O-N 2.99Å
70K64.8Low74.7Confident134 Ų13466.4 Ų66.458%0.58338%0.376SS*.PPolyproline II helixtrans-67.2118.6172-67.6177.2178171.40109.2E112K70-E112 WeakPolarHBondContact CD-OE2 3.09Å; K70-E112 IonicContact NZ-OE1 2.64Å; K70-E112 PolarHBondContact NZ-OE1 3.39Å; K70-E112 IonicContact NZ-OE2 3.68Å
71R74.7Confident75Confident32 Ų3270.2 Ų70.212%0.12139%0.39CS..PPolyproline II helixtrans-75.5132.5-179.2-66.5173.1-179.9171.911.6111F60 F61 S69 V76F60-R71 VanDerWaalsContact CZ-CD 3.47Å; F60-R71 HydrophobicContact CZ-CG 4.2Å; F60-R71 PolarHBondContact O-NH2 3.42Å; F61-R71 PolarHBondContact O-NH2 3.03Å; S69-R71 PolarHBondContact O-N 2.99Å; R71-V76 HydrophobicContact CB-CG2 3.95Å
72S84.3Confident75.3Confident56 Ų5673.3 Ų73.339%0.39240%0.403SS..PPolyproline II helixtrans-68.3147172.667.70000110.8L74 S75 V76S72-L74 PolarHBondContact O-N 3.03Å; S72-L74 VanDerWaalsContact O-N 3.13Å; S72-S75 PolarHBondContact N-OG 3.26Å; S72-S75 PolarHBondContact O-N 3.35Å; S72-S75 PolarHBondContact O-OG 3.36Å; S72-S75 PolarHBondContact OG-N 3.01Å; S72-S75 PolarHBondContact OG-OG 3.37Å; S72-V76 PolarHBondContact O-N 2.91Å
73A85.3Confident75.9Confident2 Ų267.7 Ų67.72%0.01738%0.376CS..Hα-helixtrans-53.7-37.5177.200000111.9S75 V76 F77 K114 W116 L120A73-S75 PolarHBondContact O-N 3.29Å; A73-V76 PolarHBondContact O-N 3.46Å; A73-F77 WeakPolarHBondContact O-CB 3.38Å; A73-F77 PolarHBondContact O-N 3.24Å; A73-K114 PolarHBondContact N-O 3.04Å; A73-K114 VanDerWaalsContact N-O 3.16Å; A73-W116 WeakPolarHBondContact CB-O 3.46Å; A73-L120 HydrophobicContact CB-CD1 4.01Å; A73-L120 HydrophobicContact CB-CD2 4.17Å; A73-L120 HydrophobicContact CB-CG 3.87Å
74L87.3Confident77.1Confident68 Ų6865.8 Ų65.836%0.35636%0.356SS..Hα-helixtrans-64.7-36.6178.7-171.366.8000113.2S72 F77 R78 L120 L126S72-L74 PolarHBondContact O-N 3.03Å; S72-L74 VanDerWaalsContact O-N 3.13Å; L74-F77 PolarHBondContact O-N 3.07Å; L74-R78 WeakPolarHBondContact O-CG 3.43Å; L74-R78 PolarHBondContact O-N 2.99Å; L74-R78 VanDerWaalsContact O-N 3.13Å; L74-L120 HydrophobicContact CB-CD2 4.47Å; L74-L120 HydrophobicContact CD1-CD2 4.36Å; L74-L126 HydrophobicContact CD1-CD1 3.71Å
75S88.6Confident78.8Confident33 Ų3369.7 Ų69.723%0.23137%0.37CS..Hα-helixtrans-67.2-45.2176.867.30000111.5S72 A73 F77 R78 I79S72-S75 PolarHBondContact N-OG 3.26Å; S72-S75 PolarHBondContact O-N 3.35Å; S72-S75 PolarHBondContact O-OG 3.36Å; S72-S75 PolarHBondContact OG-N 3.01Å; S72-S75 PolarHBondContact OG-OG 3.37Å; A73-S75 PolarHBondContact O-N 3.29Å; S75-F77 VanDerWaalsContact C-N 3.32Å; S75-F77 PolarHBondContact O-N 3.44Å; S75-R78 PolarHBondContact O-N 2.92Å; S75-I79 PolarHBondContact O-N 3.24Å
76V89.3Confident80.4Confident2 Ų261.9 Ų61.91%0.01233%0.334CS..Hα-helixtrans-62.1-41.8175.7-176.50000110.4F60 R71 S72 A73 R78 I79 A80 L99 I103 Y117F60-V76 HydrophobicContact CZ-CG2 4.38Å; R71-V76 HydrophobicContact CB-CG2 3.95Å; S72-V76 PolarHBondContact O-N 2.91Å; A73-V76 PolarHBondContact O-N 3.46Å; V76-R78 PolarHBondContact O-N 3.4Å; V76-I79 PolarHBondContact O-N 2.89Å; V76-A80 WeakPolarHBondContact O-CB 3.43Å; V76-A80 PolarHBondContact O-N 3.14Å; V76-L99 HydrophobicContact CG1-CD1 4.06Å; V76-I103 HydrophobicContact CG1-CG1 3.94Å; V76-Y117 HydrophobicContact CB-CD2 4.31Å; V76-Y117 HydrophobicContact CB-CE2 4.07Å; V76-Y117 HydrophobicContact CG1-CD2 4.11Å; V76-Y117 HydrophobicContact CG1-CE2 3.78Å
77F91.3Very high82.4Confident5 Ų558.5 Ų58.52%0.02231%0.306CS..Hα-helixtrans-58.7-44.4177.1179.3-100.7000113.1A73 L74 S75 R81 Y117 L120 L126 L129 W130 Q133A73-F77 WeakPolarHBondContact O-CB 3.38Å; A73-F77 PolarHBondContact O-N 3.24Å; L74-F77 PolarHBondContact O-N 3.07Å; S75-F77 VanDerWaalsContact C-N 3.32Å; S75-F77 PolarHBondContact O-N 3.44Å; F77-R81 HydrophobicContact CE1-CG 4.41Å; F77-R81 HydrophobicContact CZ-CG 4.37Å; F77-R81 WeakPolarHBondContact O-CG 3.24Å; F77-R81 PolarHBondContact O-N 3.33Å; F77-Y117 HydrophobicContact CB-CE2 4.33Å; F77-L120 HydrophobicContact CB-CD1 3.56Å; F77-L120 HydrophobicContact CD2-CD1 3.87Å; F77-L120 HydrophobicContact CG-CD1 3.89Å; F77-L126 HydrophobicContact CE1-CD2 4.1Å; F77-L129 HydrophobicContact CZ-CB 3.87Å; F77-W130 HydrophobicContact CE2-CB 4.16Å; F77-Q133 HydrophobicContact CE2-CB 4.43Å; F77-Q133 PolarHBondContact O-NE2 3.44Å; F77-Q133 VanDerWaalsContact O-NE2 3.1Å
78R91.2Very high84.3Confident164 Ų16458.8 Ų58.862%0.61930%0.295SS*.Hα-helixtrans-64.7-46.4178.5-73.3177.4-178.5-177.20.6111.9L74 S75 V76 R81 K82L74-R78 WeakPolarHBondContact O-CG 3.43Å; L74-R78 PolarHBondContact O-N 2.99Å; L74-R78 VanDerWaalsContact O-N 3.13Å; S75-R78 PolarHBondContact O-N 2.92Å; V76-R78 PolarHBondContact O-N 3.4Å; R78-R81 PolarHBondContact O-N 3.3Å; R78-K82 PolarHBondContact O-N 2.93Å; R78-K82 VanDerWaalsContact O-N 3.13Å
79I91.8Very high86.1Confident20 Ų2054.7 Ų54.710%0.10326%0.263CS..Hα-helixtrans-65.7-43.4178.8-67.2-68.2000111V57 F60 S75 V76 R81 K82 L83V57-I79 HydrophobicContact CG1-CG2 4.32Å; V57-I79 HydrophobicContact CG2-CG2 4.12Å; F60-I79 HydrophobicContact CB-CD1 4Å; F60-I79 HydrophobicContact CB-CG1 4.23Å; F60-I79 HydrophobicContact CB-CG2 4.49Å; F60-I79 HydrophobicContact CD1-CB 4.09Å; F60-I79 HydrophobicContact CD1-CD1 4.49Å; F60-I79 HydrophobicContact CD1-CG1 3.81Å; F60-I79 HydrophobicContact CD1-CG2 3.74Å; F60-I79 HydrophobicContact CD2-CD1 4.12Å; F60-I79 HydrophobicContact CD2-CG1 3.74Å; F60-I79 HydrophobicContact CE1-CB 4.11Å; F60-I79 HydrophobicContact CE1-CG1 3.94Å; F60-I79 HydrophobicContact CE1-CG2 4.14Å; F60-I79 HydrophobicContact CE2-CG1 3.9Å; F60-I79 HydrophobicContact CG-CB 4.43Å; F60-I79 HydrophobicContact CG-CD1 3.97Å; F60-I79 HydrophobicContact CG-CG1 3.66Å; F60-I79 HydrophobicContact CG-CG2 4.22Å; F60-I79 HydrophobicContact CZ-CB 4.49Å; F60-I79 HydrophobicContact CZ-CG1 3.98Å; S75-I79 PolarHBondContact O-N 3.24Å; V76-I79 PolarHBondContact O-N 2.89Å; I79-R81 VanDerWaalsContact C-N 3.29Å; I79-R81 PolarHBondContact O-N 3.03Å; I79-K82 PolarHBondContact O-N 2.86Å; I79-K82 VanDerWaalsContact O-N 3.14Å; I79-L83 PolarHBondContact O-N 3.12Å
80A92Very high87.4Confident0 Ų059.8 Ų59.80%027%0.274CS..Hα-helixtrans-58.7-39.8175.100000111.9V76 L83 L84 L99V76-A80 WeakPolarHBondContact O-CB 3.43Å; V76-A80 PolarHBondContact O-N 3.14Å; A80-L83 PolarHBondContact O-N 3.08Å; A80-L84 WeakPolarHBondContact O-CB 3.3Å; A80-L84 WeakPolarHBondContact O-CD1 3.44Å; A80-L84 WeakPolarHBondContact O-CG 3.49Å; A80-L84 PolarHBondContact O-N 3.13Å; A80-L99 HydrophobicContact CB-CD1 3.83Å; A80-L99 HydrophobicContact CB-CD2 3.85Å; A80-L99 HydrophobicContact CB-CG 4.49Å
81R93Very high88.4Confident124 Ų12458.6 Ų58.647%0.46827%0.271SS..Hα-helixtrans-64.3-41.5175.6-76.7-174.166.61730.1112.2F77 R78 I79 F85F77-R81 HydrophobicContact CE1-CG 4.41Å; F77-R81 HydrophobicContact CZ-CG 4.37Å; F77-R81 WeakPolarHBondContact O-CG 3.24Å; F77-R81 PolarHBondContact O-N 3.33Å; R78-R81 PolarHBondContact O-N 3.3Å; I79-R81 VanDerWaalsContact C-N 3.29Å; I79-R81 PolarHBondContact O-N 3.03Å; R81-F85 WeakPolarHBondContact O-CB 3.43Å; R81-F85 PolarHBondContact O-N 3.2Å; R81-F85 VanDerWaalsContact O-N 3.1Å
82K91.6Very high89.2Confident84 Ų8457.1 Ų57.137%0.36527%0.265SS..Hα-helixtrans-62.7-46.4176.3-73-172.6172.3-1700111I53 E56 R78 I79 F85I53-K82 HydrophobicContact CG2-CB 3.98Å; E56-K82 IonicContact OE1-NZ 2.89Å; E56-K82 PolarHBondContact OE1-NZ 3.09Å; E56-K82 VanDerWaalsContact OE2-CD 3.31Å; E56-K82 WeakPolarHBondContact OE2-CD 3.31Å; E56-K82 WeakPolarHBondContact OE2-CE 3.35Å; E56-K82 IonicContact OE2-NZ 2.74Å; E56-K82 PolarHBondContact OE2-NZ 2.72Å; R78-K82 PolarHBondContact O-N 2.93Å; R78-K82 VanDerWaalsContact O-N 3.13Å; I79-K82 PolarHBondContact O-N 2.86Å; I79-K82 VanDerWaalsContact O-N 3.14Å; K82-F85 WeakPolarHBondContact O-CB 3.38Å; K82-F85 PolarHBondContact O-N 2.63Å
83L91.8Very high89.3Confident1 Ų158.6 Ų58.61%0.00526%0.264CS..Hα-helixtrans-60.8-49.1176.9-177.959.6000111.7V57 I79 A80 F85 V86 F87 D92 R95 L99V57-L83 HydrophobicContact CG1-CD1 4.37Å; V57-L83 HydrophobicContact CG1-CD2 4.44Å; V57-L83 HydrophobicContact CG2-CB 4.15Å; I79-L83 PolarHBondContact O-N 3.12Å; A80-L83 PolarHBondContact O-N 3.08Å; L83-F85 PolarHBondContact O-N 3.46Å; L83-V86 PolarHBondContact O-N 2.92Å; L83-V86 VanDerWaalsContact O-N 3.16Å; L83-F87 HydrophobicContact CD1-CD2 4.43Å; L83-F87 HydrophobicContact CG-CD2 4.29Å; L83-F87 WeakPolarHBondContact O-CA 3.35Å; L83-F87 WeakPolarHBondContact O-CB 3.39Å; L83-F87 PolarHBondContact O-N 3.38Å; L83-D92 HydrophobicContact CD1-CB 4.44Å; L83-R95 HydrophobicContact CD1-CB 4.25Å; L83-R95 HydrophobicContact CD2-CB 4.27Å; L83-L99 HydrophobicContact CD2-CB 4.45Å; L83-L99 HydrophobicContact CD2-CD2 4.01Å
84L91.9Very high89.5Confident32 Ų3264.1 Ų64.117%0.16829%0.29CS..Hα-helixtrans-62.7-25.9-180-67.7165.8000113.1A80 Q133 I137 F140A80-L84 WeakPolarHBondContact O-CB 3.3Å; A80-L84 WeakPolarHBondContact O-CD1 3.44Å; A80-L84 WeakPolarHBondContact O-CG 3.49Å; A80-L84 PolarHBondContact O-N 3.13Å; L84-Q133 HydrophobicContact CD1-CG 3.37Å; L84-I137 HydrophobicContact CD1-CD1 4.29Å; L84-I137 HydrophobicContact CD1-CG1 3.91Å; L84-I137 HydrophobicContact CD2-CG1 4.2Å; L84-F140 HydrophobicContact CD2-CD2 3.65Å; L84-F140 HydrophobicContact CD2-CE2 3.51Å
85F91.1Very high89.7Confident159 Ų15963.2 Ų63.270%0.69728%0.282SS*.Hα-helixtrans-69.7-32.3177179-108.2000113.1L49 I53 R81 K82 L83L49-F85 HydrophobicContact CD2-CE1 4.49Å; I53-F85 HydrophobicContact CD1-CD1 4.13Å; R81-F85 WeakPolarHBondContact O-CB 3.43Å; R81-F85 PolarHBondContact O-N 3.2Å; R81-F85 VanDerWaalsContact O-N 3.1Å; K82-F85 WeakPolarHBondContact O-CB 3.38Å; K82-F85 PolarHBondContact O-N 2.63Å; L83-F85 PolarHBondContact O-N 3.46Å
86V91.4Very high90Very high12 Ų1261.7 Ų61.77%0.07327%0.271CS..Hα-helixtrans-110.87.7-179-60.30000113.7Q50 I53 L83 N88Q50-V86 HydrophobicContact CG-CB 4.11Å; Q50-V86 HydrophobicContact CG-CG1 3.92Å; I53-V86 HydrophobicContact CB-CG1 4.36Å; I53-V86 HydrophobicContact CB-CG2 4.29Å; I53-V86 HydrophobicContact CD1-CG1 3.62Å; I53-V86 HydrophobicContact CG2-CG1 4.26Å; I53-V86 HydrophobicContact CG2-CG2 3.61Å; L83-V86 PolarHBondContact O-N 2.92Å; L83-V86 VanDerWaalsContact O-N 3.16Å; V86-N88 PolarHBondContact O-N 3.44Å
87F90.4Very high90Very high31 Ų3163.3 Ų63.314%0.13628%0.278CS..  trans-61.3129.3-165.4-171.6-106.6000113.4L83 L89 D92 F96 F140 F144L83-F87 HydrophobicContact CD1-CD2 4.43Å; L83-F87 HydrophobicContact CG-CD2 4.29Å; L83-F87 WeakPolarHBondContact O-CA 3.35Å; L83-F87 WeakPolarHBondContact O-CB 3.39Å; L83-F87 PolarHBondContact O-N 3.38Å; F87-L89 HydrophobicContact CE1-CD1 4.16Å; F87-D92 HydrophobicContact CD2-CB 3.79Å; F87-D92 HydrophobicContact CE2-CB 3.65Å; F87-F96 HydrophobicContact CE2-CB 3.92Å; F87-F96 AromaticContact CE2-CD2 3.88Å; F87-F96 HydrophobicContact CE2-CD2 3.88Å; F87-F96 HydrophobicContact CE2-CG 4.14Å; F87-F96 HydrophobicContact CZ-CB 4.31Å; F87-F96 HydrophobicContact CZ-CD2 4.08Å; F87-F96 HydrophobicContact CZ-CG 4.22Å; F87-F140 AromaticContact CD1-CD1 3.84Å; F87-F140 HydrophobicContact CD1-CD1 3.84Å; F87-F140 HydrophobicContact CD1-CD2 4.11Å; F87-F140 AromaticContact CD1-CE1 3.52Å; F87-F140 HydrophobicContact CD1-CE1 3.52Å; F87-F140 AromaticContact CD1-CE2 3.81Å; F87-F140 HydrophobicContact CD1-CE2 3.81Å; F87-F140 HydrophobicContact CD1-CG 4.13Å; F87-F140 AromaticContact CD1-CZ 3.5Å; F87-F140 HydrophobicContact CD1-CZ 3.5Å; F87-F140 HydrophobicContact CE1-CB 4.36Å; F87-F140 AromaticContact CE1-CD1 3.44Å; F87-F140 HydrophobicContact CE1-CD1 3.44Å; F87-F140 VanDerWaalsContact CE1-CD1 3.44Å; F87-F140 HydrophobicContact CE1-CD2 4.09Å; F87-F140 AromaticContact CE1-CE1 3.62Å; F87-F140 HydrophobicContact CE1-CE1 3.62Å; F87-F140 HydrophobicContact CE1-CE2 4.24Å; F87-F140 AromaticContact CE1-CG 3.71Å; F87-F140 HydrophobicContact CE1-CG 3.71Å; F87-F140 HydrophobicContact CE1-CZ 4.02Å; F87-F140 HydrophobicContact CG-CE2 4.4Å; F87-F140 HydrophobicContact CG-CZ 4.38Å; F87-F140 HydrophobicContact CZ-CD1 4.45Å; F87-F140 HydrophobicContact CZ-CG 4.39Å; F87-F144 AromaticContact CZ-CE2 3.79Å; F87-F144 HydrophobicContact CZ-CE2 3.79Å; F87-F144 AromaticContact CZ-CZ 3.84Å; F87-F144 HydrophobicContact CZ-CZ 3.84Å
88N87.9Confident90Very high64 Ų6466.3 Ų66.334%0.34229%0.291SS..  trans-127.2121.8171.1-175.6-44.2000109.9V86 K90 E91 D92V86-N88 PolarHBondContact O-N 3.44Å; N88-K90 PolarHBondContact O-N 2.9Å; N88-K90 VanDerWaalsContact O-N 3.11Å; N88-K90 PolarHBondContact OD1-N 2.66Å; N88-E91 HydrophobicContact CB-CB 4.27Å; N88-E91 PolarHBondContact O-N 3Å; N88-D92 PolarHBondContact N-OD2 3.1Å; N88-D92 WeakPolarHBondContact O-CB 3.45Å; N88-D92 PolarHBondContact O-N 3.34Å
89L84.2Confident90.1Very high39 Ų3958.6 Ų58.620%0.20426%0.262CS..THydrogen-bonded Turntrans-55.5-33.2-175.1-160.490.5000113.8F87 F140 E143 F144F87-L89 HydrophobicContact CE1-CD1 4.16Å; L89-F140 HydrophobicContact CD1-CD1 4.42Å; L89-E143 HydrophobicContact CD1-CB 4.01Å; L89-F144 HydrophobicContact CD1-CD1 4.36Å; L89-F144 HydrophobicContact CD1-CD2 4.5Å; L89-F144 HydrophobicContact CD1-CE1 4Å; L89-F144 HydrophobicContact CD1-CE2 4.15Å; L89-F144 HydrophobicContact CD1-CZ 3.89Å; L89-F144 HydrophobicContact CG-CD1 4.49Å; L89-F144 HydrophobicContact CG-CE1 3.94Å; L89-F144 HydrophobicContact CG-CZ 4.15Å
90K82.4Confident90.1Very high193 Ų19357.6 Ų57.684%0.83926%0.257SS*.THydrogen-bonded Turntrans-82.6-35.6-178.6-66.4-174.1178.7-176.70113.1N88N88-K90 PolarHBondContact O-N 2.9Å; N88-K90 VanDerWaalsContact O-N 3.11Å; N88-K90 PolarHBondContact OD1-N 2.66Å
91E85.6Confident90.1Very high110 Ų11063.4 Ų63.451%0.51428%0.279SS..THydrogen-bonded Turntrans-94.7-22.8-171.9-63-179.8175.600113.4R54 N88 R95R54-E91 IonicContact CZ-OE2 3.96Å; R54-E91 IonicContact NH1-OE2 2.91Å; R54-E91 PolarHBondContact NH1-OE2 3.22Å; R54-E91 IonicContact NH2-OE2 2.58Å; R54-E91 PolarHBondContact NH2-OE2 3.19Å; N88-E91 HydrophobicContact CB-CB 4.27Å; N88-E91 PolarHBondContact O-N 3Å; E91-R95 PolarHBondContact O-NH1 3.4Å
92D90.1Very high89.9Confident0 Ų058.6 Ų58.60%026%0.264CS..  trans-11216.2-168.8-63.1-62.2000113.5R54 L83 F87 N88 E94 R95 F96R54-D92 IonicContact CZ-OD1 2.86Å; R54-D92 IonicContact CZ-OD2 3.11Å; R54-D92 IonicContact NE-OD1 2.61Å; R54-D92 PolarHBondContact NE-OD1 2.6Å; R54-D92 VanDerWaalsContact NE-OD1 3.16Å; R54-D92 IonicContact NE-OD2 3.72Å; R54-D92 IonicContact NH2-OD1 3.08Å; R54-D92 IonicContact NH2-OD2 3.36Å; R54-D92 PolarHBondContact NH2-OD2 3.05Å; R54-D92 VanDerWaalsContact NH2-OD2 3.1Å; L83-D92 HydrophobicContact CD1-CB 4.44Å; F87-D92 HydrophobicContact CD2-CB 3.79Å; F87-D92 HydrophobicContact CE2-CB 3.65Å; N88-D92 PolarHBondContact N-OD2 3.1Å; N88-D92 WeakPolarHBondContact O-CB 3.45Å; N88-D92 PolarHBondContact O-N 3.34Å; D92-E94 PolarHBondContact O-N 3.14Å; D92-R95 PolarHBondContact O-N 3.27Å; D92-R95 IonicContact OD1-CZ 2.91Å; D92-R95 IonicContact OD1-NE 3.11Å; D92-R95 IonicContact OD1-NH1 2.81Å; D92-R95 PolarHBondContact OD1-NH1 3.32Å; D92-F96 WeakPolarHBondContact O-CB 3.33Å; D92-F96 PolarHBondContact O-N 3.18Å
93K88.2Confident89.9Confident87 Ų8754.6 Ų54.638%0.37825%0.247SC..Hα-helixtrans-54.1-51.1-179.2-176.1-179.1178.4-177.50112.5F96 E97 F144 D155K93-F96 PolarHBondContact O-N 3.47Å; K93-E97 PolarHBondContact O-N 3.22Å; K93-F144 HydrophobicContact CB-CE1 4.14Å; K93-F144 HydrophobicContact CB-CZ 4.4Å; K93-F144 HydrophobicContact CG-CE1 3.99Å; K93-D155 IonicContact NZ-OD1 2.78Å
94E89.3Confident89.8Confident119 Ų11955.3 Ų55.356%0.55625%0.251SS*.Hα-helixtrans-68.8-40.3-177.9-164-167.7148.600112.2D92 F96 E97 K98D92-E94 PolarHBondContact O-N 3.14Å; E94-F96 VanDerWaalsContact C-N 3.3Å; E94-F96 PolarHBondContact O-N 2.97Å; E94-E97 WeakPolarHBondContact O-CB 3.14Å; E94-E97 PolarHBondContact O-N 3.11Å; E94-K98 WeakPolarHBondContact O-CG 3.48Å; E94-K98 PolarHBondContact O-N 2.95Å; E94-K98 WeakPolarHBondContact OE1-CE 3.43Å; E94-K98 IonicContact OE1-NZ 3.51Å; E94-K98 PolarHBondContact OE1-NZ 3.43Å
95R91.4Very high89.6Confident49 Ų4958.9 Ų58.919%0.18527%0.27CS..Hα-helixtrans-62.5-39.9176.3-60.9-176.3-167.389.410.9111V57 E58 L83 E91 D92 L99V57-R95 HydrophobicContact CG1-CB 4.44Å; E58-R95 IonicContact OE1-CZ 3.19Å; E58-R95 IonicContact OE1-NE 2.62Å; E58-R95 PolarHBondContact OE1-NE 3.15Å; E58-R95 IonicContact OE1-NH2 3.05Å; E58-R95 PolarHBondContact OE1-NH2 2.89Å; L83-R95 HydrophobicContact CD1-CB 4.25Å; L83-R95 HydrophobicContact CD2-CB 4.27Å; E91-R95 PolarHBondContact O-NH1 3.4Å; D92-R95 PolarHBondContact O-N 3.27Å; D92-R95 IonicContact OD1-CZ 2.91Å; D92-R95 IonicContact OD1-NE 3.11Å; D92-R95 IonicContact OD1-NH1 2.81Å; D92-R95 PolarHBondContact OD1-NH1 3.32Å; R95-L99 PolarHBondContact O-N 2.87Å
96F93.4Very high89.5Confident0 Ų051.7 Ų51.70%024%0.239CC..Hα-helixtrans-67.7-40.9176.4-170.2-103.4000112.5F87 D92 K93 E94 L99 C100 I137 F140 F144 H162F87-F96 HydrophobicContact CE2-CB 3.92Å; F87-F96 AromaticContact CE2-CD2 3.88Å; F87-F96 HydrophobicContact CE2-CD2 3.88Å; F87-F96 HydrophobicContact CE2-CG 4.14Å; F87-F96 HydrophobicContact CZ-CB 4.31Å; F87-F96 HydrophobicContact CZ-CD2 4.08Å; F87-F96 HydrophobicContact CZ-CG 4.22Å; D92-F96 WeakPolarHBondContact O-CB 3.33Å; D92-F96 PolarHBondContact O-N 3.18Å; K93-F96 PolarHBondContact O-N 3.47Å; E94-F96 VanDerWaalsContact C-N 3.3Å; E94-F96 PolarHBondContact O-N 2.97Å; F96-L99 WeakPolarHBondContact O-CB 3.47Å; F96-L99 PolarHBondContact O-N 3.31Å; F96-C100 WeakPolarHBondContact CE1-SG 3.21Å; F96-C100 PolarHBondContact O-N 3.04Å; F96-I137 HydrophobicContact CE2-CG2 4.28Å; F96-I137 HydrophobicContact CZ-CG2 4.08Å; F96-I137 WeakPolarHBondContact CZ-O 3.31Å; F96-F140 HydrophobicContact CE1-CB 4.25Å; F96-F140 HydrophobicContact CE2-CB 3.85Å; F96-F140 HydrophobicContact CE2-CD2 4.44Å; F96-F140 HydrophobicContact CZ-CB 3.59Å; F96-F144 HydrophobicContact CB-CE2 4.16Å; F96-F144 AromaticContact CD1-CD2 3.64Å; F96-F144 HydrophobicContact CD1-CD2 3.64Å; F96-F144 AromaticContact CD1-CE2 3.32Å; F96-F144 HydrophobicContact CD1-CE2 3.32Å; F96-F144 HydrophobicContact CD1-CZ 4.37Å; F96-F144 AromaticContact CE1-CD2 3.73Å; F96-F144 HydrophobicContact CE1-CD2 3.73Å; F96-F144 AromaticContact CE1-CE2 3.79Å; F96-F144 HydrophobicContact CE1-CE2 3.79Å; F96-F144 AromaticContact CG-CE2 3.78Å; F96-F144 HydrophobicContact CG-CE2 3.78Å; F96-H162 AromaticContact CD1-CE1 3.95Å; F96-H162 AromaticContact CE1-CE1 3.79Å
97E91.3Very high89.1Confident37 Ų3751.8 Ų51.817%0.17324%0.239CC..Hα-helixtrans-58.3-49174.1179.8-179.4-176.800111.7K93 E94 L99 C100 R101 L158 L161K93-E97 PolarHBondContact O-N 3.22Å; E94-E97 WeakPolarHBondContact O-CB 3.14Å; E94-E97 PolarHBondContact O-N 3.11Å; E97-L99 VanDerWaalsContact C-N 3.26Å; E97-L99 PolarHBondContact O-N 2.68Å; E97-C100 PolarHBondContact O-N 3.31Å; E97-R101 WeakPolarHBondContact O-CG 3.23Å; E97-R101 PolarHBondContact O-N 3.48Å; E97-R101 IonicContact OE1-CZ 3.47Å; E97-R101 IonicContact OE1-NE 2.72Å; E97-R101 PolarHBondContact OE1-NE 2.81Å; E97-R101 IonicContact OE1-NH2 3.37Å; E97-R101 PolarHBondContact OE1-NH2 3.18Å; E97-L158 HydrophobicContact CB-CD2 4.46Å; E97-L158 HydrophobicContact CG-CD2 3.84Å; E97-L158 WeakPolarHBondContact OE1-CD2 3.49Å; E97-L161 HydrophobicContact CG-CD2 3.74Å
98K90.6Very high88.7Confident68 Ų6855.4 Ų55.430%0.29626%0.26SS..Hα-helixtrans-58.5-39.5175.6-70.7177.4-175171.20111.3F61 E94 C102F61-K98 HydrophobicContact CB-CD 4.14Å; F61-K98 HydrophobicContact CD1-CB 3.91Å; F61-K98 HydrophobicContact CD2-CB 4.11Å; F61-K98 HydrophobicContact CE1-CB 4.15Å; F61-K98 HydrophobicContact CE2-CB 4.29Å; F61-K98 HydrophobicContact CG-CB 3.96Å; F61-K98 HydrophobicContact CG-CD 4.37Å; F61-K98 HydrophobicContact CZ-CB 4.35Å; E94-K98 WeakPolarHBondContact O-CG 3.48Å; E94-K98 PolarHBondContact O-N 2.95Å; E94-K98 WeakPolarHBondContact OE1-CE 3.43Å; E94-K98 IonicContact OE1-NZ 3.51Å; E94-K98 PolarHBondContact OE1-NZ 3.43Å; K98-C102 VanDerWaalsContact O-CB 3.3Å; K98-C102 WeakPolarHBondContact O-CB 3.33Å; K98-C102 PolarHBondContact O-N 2.7Å
99L92.3Very high88.4Confident1 Ų154.1 Ų54.11%0.00525%0.254CS..Hα-helixtrans-63-50.1174.7177.962.1000112.4F61 V76 A80 L83 R95 F96 E97 R101 C102 I103F61-L99 HydrophobicContact CE2-CB 4.47Å; F61-L99 HydrophobicContact CZ-CB 3.84Å; F61-L99 HydrophobicContact CZ-CD1 4.15Å; V76-L99 HydrophobicContact CG1-CD1 4.06Å; A80-L99 HydrophobicContact CB-CD1 3.83Å; A80-L99 HydrophobicContact CB-CD2 3.85Å; A80-L99 HydrophobicContact CB-CG 4.49Å; L83-L99 HydrophobicContact CD2-CB 4.45Å; L83-L99 HydrophobicContact CD2-CD2 4.01Å; R95-L99 PolarHBondContact O-N 2.87Å; F96-L99 WeakPolarHBondContact O-CB 3.47Å; F96-L99 PolarHBondContact O-N 3.31Å; E97-L99 VanDerWaalsContact C-N 3.26Å; E97-L99 PolarHBondContact O-N 2.68Å; L99-R101 PolarHBondContact O-N 3.17Å; L99-C102 WeakPolarHBondContact O-CB 3.34Å; L99-C102 PolarHBondContact O-N 3.44Å; L99-I103 HydrophobicContact CD1-CD1 3.92Å; L99-I103 HydrophobicContact CD1-CG1 4.17Å; L99-I103 HydrophobicContact CG-CD1 3.96Å; L99-I103 WeakPolarHBondContact O-CG1 3.36Å; L99-I103 PolarHBondContact O-N 2.71Å
100C92.9Very high88Confident0 Ų059.1 Ų59.10%028%0.277CS..Hα-helixtrans-59-45.6178.5-730000111.8F96 E97 C102 I103 L104 L161 M165F96-C100 WeakPolarHBondContact CE1-SG 3.21Å; F96-C100 PolarHBondContact O-N 3.04Å; E97-C100 PolarHBondContact O-N 3.31Å; C100-C102 VanDerWaalsContact C-N 3.35Å; C100-C102 PolarHBondContact O-N 2.79Å; C100-I103 PolarHBondContact O-N 2.93Å; C100-L104 PolarHBondContact O-N 3Å; C100-L161 HydrophobicContact CB-CD1 4.36Å; C100-L161 HydrophobicContact CB-CD2 4.04Å; C100-L161 HydrophobicContact CB-CG 4.16Å; C100-M165 HydrophobicContact CB-CG 4Å; C100-M165 HydrophobicContact CB-SD 4.25Å
101R91.7Very high87.5Confident122 Ų12257 Ų5746%0.4628%0.275SS..Hα-helixtrans-60.8-43.4175.7-70.4179.7-176.5-175.3-0.8111.6E97 L99 I103 L104 N105 L161E97-R101 WeakPolarHBondContact O-CG 3.23Å; E97-R101 PolarHBondContact O-N 3.48Å; E97-R101 IonicContact OE1-CZ 3.47Å; E97-R101 IonicContact OE1-NE 2.72Å; E97-R101 PolarHBondContact OE1-NE 2.81Å; E97-R101 IonicContact OE1-NH2 3.37Å; E97-R101 PolarHBondContact OE1-NH2 3.18Å; L99-R101 PolarHBondContact O-N 3.17Å; R101-I103 VanDerWaalsContact C-N 3.33Å; R101-I103 PolarHBondContact O-N 3.34Å; R101-L104 PolarHBondContact O-N 3.46Å; R101-N105 VanDerWaalsContact O-CB 3.26Å; R101-N105 WeakPolarHBondContact O-CB 3.42Å; R101-N105 PolarHBondContact O-N 3.14Å; R101-N105 PolarHBondContact O-OD1 3.28Å; R101-L161 HydrophobicContact CG-CD1 3.72Å; R101-L161 HydrophobicContact CG-CD2 4.03Å
102C89.6Confident87.2Confident22 Ų2255 Ų5515%0.14927%0.265CS..Hα-helixtrans-61.6-40.8177.2-173.40000112.1F61 K98 L99 C100 S106F61-C102 HydrophobicContact CE1-CB 3.96Å; K98-C102 VanDerWaalsContact O-CB 3.3Å; K98-C102 WeakPolarHBondContact O-CB 3.33Å; K98-C102 PolarHBondContact O-N 2.7Å; L99-C102 WeakPolarHBondContact O-CB 3.34Å; L99-C102 PolarHBondContact O-N 3.44Å; C100-C102 VanDerWaalsContact C-N 3.35Å; C100-C102 PolarHBondContact O-N 2.79Å; C102-S106 WeakPolarHBondContact O-CB 3.28Å; C102-S106 PolarHBondContact O-N 2.91Å; C102-S106 VanDerWaalsContact O-N 3.16Å
103I90.6Very high86.5Confident0 Ų058.3 Ų58.30%029%0.287CS..Hα-helixtrans-67.4-47.3177.3-67.6170.6000110.6V76 L99 C100 R101 S106 M107 Y117 I137 M165 F169V76-I103 HydrophobicContact CG1-CG1 3.94Å; L99-I103 HydrophobicContact CD1-CD1 3.92Å; L99-I103 HydrophobicContact CD1-CG1 4.17Å; L99-I103 HydrophobicContact CG-CD1 3.96Å; L99-I103 WeakPolarHBondContact O-CG1 3.36Å; L99-I103 PolarHBondContact O-N 2.71Å; C100-I103 PolarHBondContact O-N 2.93Å; R101-I103 VanDerWaalsContact C-N 3.33Å; R101-I103 PolarHBondContact O-N 3.34Å; I103-S106 WeakPolarHBondContact O-CB 3.24Å; I103-S106 PolarHBondContact O-N 2.62Å; I103-S106 PolarHBondContact O-OG 3.32Å; I103-M107 PolarHBondContact O-N 3.22Å; I103-Y117 HydrophobicContact CD1-CE1 4.42Å; I103-Y117 HydrophobicContact CD1-CE2 4.43Å; I103-Y117 HydrophobicContact CG1-CD2 4.19Å; I103-Y117 HydrophobicContact CG1-CE2 4.21Å; I103-Y117 HydrophobicContact CG1-CG 4.41Å; I103-Y117 HydrophobicContact CG2-CD1 4.03Å; I103-Y117 HydrophobicContact CG2-CD2 4.5Å; I103-Y117 HydrophobicContact CG2-CG 3.93Å; I103-I137 HydrophobicContact CD1-CD1 3.98Å; I103-M165 HydrophobicContact CB-CE 4.44Å; I103-M165 HydrophobicContact CB-SD 4.4Å; I103-M165 HydrophobicContact CD1-CE 4.41Å; I103-M165 HydrophobicContact CG2-CE 4.07Å; I103-M165 HydrophobicContact CG2-SD 4.23Å; I103-F169 HydrophobicContact CG2-CE2 3.53Å; I103-F169 HydrophobicContact CG2-CZ 3.43Å; I103-F169 VanDerWaalsContact CG2-CZ 3.43Å
104L90.3Very high86.1Confident17 Ų1762.7 Ų62.79%0.08931%0.306CS..Hα-helixtrans-64.8-47.7179.2-71.1176.9000112.4C100 R101 S106 M107 D108 L161 T164 M165 T168C100-L104 PolarHBondContact O-N 3Å; R101-L104 PolarHBondContact O-N 3.46Å; L104-S106 PolarHBondContact O-N 3.36Å; L104-S106 VanDerWaalsContact O-N 3.14Å; L104-M107 WeakPolarHBondContact O-CA 3.25Å; L104-M107 VanDerWaalsContact O-CB 3.3Å; L104-M107 WeakPolarHBondContact O-CB 3.43Å; L104-M107 PolarHBondContact O-N 3.07Å; L104-D108 PolarHBondContact O-N 2.63Å; L104-L161 HydrophobicContact CD1-CD1 3.66Å; L104-T164 HydrophobicContact CD1-CG2 3.91Å; L104-T164 HydrophobicContact CD2-CG2 4.08Å; L104-M165 HydrophobicContact CD1-CG 4Å; L104-M165 HydrophobicContact CD1-SD 4.05Å; L104-M165 HydrophobicContact CD2-CG 4.27Å; L104-M165 HydrophobicContact CD2-SD 3.59Å; L104-M165 VanDerWaalsContact CD2-SD 3.59Å; L104-M165 HydrophobicContact CG-CG 4.09Å; L104-M165 HydrophobicContact CG-SD 3.46Å; L104-M165 WeakPolarHBondContact CG-SD 3.34Å; L104-T168 HydrophobicContact CD2-CG2 4.47Å
105N88Confident85.8Confident106 Ų10657.8 Ų57.857%0.56728%0.284SS*.Hα-helixtrans-57.9-32.6177.1-69.2-3.9000111.3R101 M107 D108 V109R101-N105 VanDerWaalsContact O-CB 3.26Å; R101-N105 WeakPolarHBondContact O-CB 3.42Å; R101-N105 PolarHBondContact O-N 3.14Å; R101-N105 PolarHBondContact O-OD1 3.28Å; N105-M107 PolarHBondContact O-N 3.48Å; N105-D108 PolarHBondContact O-N 3.47Å; N105-V109 WeakPolarHBondContact O-CG2 3.49Å
106S87.1Confident85.6Confident9 Ų956.4 Ų56.46%0.06328%0.279CS..Hα-helixtrans-62.1-32.8174.485.20000112.4C102 I103 L104 D108 V115 Y117C102-S106 WeakPolarHBondContact O-CB 3.28Å; C102-S106 PolarHBondContact O-N 2.91Å; C102-S106 VanDerWaalsContact O-N 3.16Å; I103-S106 WeakPolarHBondContact O-CB 3.24Å; I103-S106 PolarHBondContact O-N 2.62Å; I103-S106 PolarHBondContact O-OG 3.32Å; L104-S106 PolarHBondContact O-N 3.36Å; L104-S106 VanDerWaalsContact O-N 3.14Å; S106-D108 VanDerWaalsContact C-N 3.34Å; S106-V115 WeakPolarHBondContact CB-O 3.35Å; S106-Y117 PolarHBondContact OG-N 2.96Å
107M84.4Confident85.3Confident14 Ų1456.4 Ų56.47%0.06928%0.279CS..Hα-helixtrans-75.9-22.3-179-62.8-61.9-65.100113I103 L104 N105 W116 V118 T168 F169 W175I103-M107 PolarHBondContact O-N 3.22Å; L104-M107 WeakPolarHBondContact O-CA 3.25Å; L104-M107 VanDerWaalsContact O-CB 3.3Å; L104-M107 WeakPolarHBondContact O-CB 3.43Å; L104-M107 PolarHBondContact O-N 3.07Å; N105-M107 PolarHBondContact O-N 3.48Å; M107-W116 HydrophobicContact SD-CB 4.4Å; M107-V118 HydrophobicContact CE-CB 4.05Å; M107-V118 HydrophobicContact CE-CG2 3.4Å; M107-V118 HydrophobicContact SD-CB 4.24Å; M107-V118 HydrophobicContact SD-CG2 3.73Å; M107-T168 HydrophobicContact CE-CG2 4.33Å; M107-T168 HydrophobicContact CG-CG2 4.29Å; M107-F169 HydrophobicContact CG-CZ 4.46Å; M107-W175 HydrophobicContact CE-CG 4.29Å
108D81.4Confident85.2Confident107 Ų10754.7 Ų54.757%0.57227%0.271SS*.Hα-helixtrans-86-18.3-178.4-69-35.3000113.4L104 N105 S106 E110 K176L104-D108 PolarHBondContact O-N 2.63Å; N105-D108 PolarHBondContact O-N 3.47Å; S106-D108 VanDerWaalsContact C-N 3.34Å; D108-E110 PolarHBondContact O-N 2.86Å; D108-K176 PolarHBondContact O-NZ 3.38Å
109V82.6Confident85Confident37 Ų3752.7 Ų52.722%0.22427%0.265CS..  trans-58.8130.5178.6-175.80000111.2N105 E112 V115 W116N105-V109 WeakPolarHBondContact O-CG2 3.49Å; V109-E112 HydrophobicContact CG1-CB 4.28Å; V109-V115 HydrophobicContact CB-CG1 4.42Å; V109-V115 HydrophobicContact CG2-CG1 4.08Å; V109-W116 PolarHBondContact O-NE1 3.35Å
110E75.9Confident84.7Confident143 Ų14353.2 Ų53.267%0.66827%0.268SS*.SBendtrans-82.6143.1178.3-62.6-165.4156.700112.5D108 E112D108-E110 PolarHBondContact O-N 2.86Å; E110-E112 VanDerWaalsContact C-N 3.28Å; E110-E112 PolarHBondContact O-N 3.05Å; E110-E112 VanDerWaalsContact O-N 3.12Å
111N71.1Confident84.4Confident149 Ų14953.4 Ų53.480%0.79727%0.269SS*.SBendtrans58.520.9167.9-61-30.8000117.8
112E79.7Confident84Confident68 Ų6851.2 Ų51.232%0.31827%0.266SS..  trans-130.185.1178.3-72.3-179.6-153.500113.5K70 V109 E110 K114 V115K70-E112 WeakPolarHBondContact CD-OE2 3.09Å; K70-E112 IonicContact NZ-OE1 2.64Å; K70-E112 PolarHBondContact NZ-OE1 3.39Å; K70-E112 IonicContact NZ-OE2 3.68Å; V109-E112 HydrophobicContact CG1-CB 4.28Å; E110-E112 VanDerWaalsContact C-N 3.28Å; E110-E112 PolarHBondContact O-N 3.05Å; E110-E112 VanDerWaalsContact O-N 3.12Å; E112-K114 PolarHBondContact O-N 3.46Å; E112-K114 VanDerWaalsContact O-N 3.1Å; E112-V115 HydrophobicContact CB-CB 4.37Å; E112-V115 HydrophobicContact CB-CG2 4.04Å; E112-V115 PolarHBondContact O-N 3.49Å; E112-V115 VanDerWaalsContact O-N 3.1Å; E112-V115 WeakPolarHBondContact OE2-CG2 3.43Å
113P75.3Confident83.8Confident70 Ų7052.1 Ų52.146%0.45527%0.273SS..THydrogen-bonded Turntrans-60.6-26.1-176.4-23.332.7000114.9V115 W116 S119P113-V115 PolarHBondContact O-N 3.11Å; P113-W116 HydrophobicContact CB-CE3 4.04Å; P113-W116 HydrophobicContact CB-CZ3 4.11Å; P113-W116 HydrophobicContact CG-CE3 4.48Å; P113-W116 HydrophobicContact CG-CZ3 4.1Å; P113-S119 WeakPolarHBondContact O-CB 3.3Å; P113-S119 PolarHBondContact O-OG 3.23Å
114K79.3Confident83.3Confident179 Ų17961.8 Ų61.878%0.77832%0.315SS*.THydrogen-bonded Turntrans-72.4-15.8-179.8-66.3-177.9178.3177.50113.5A73 E112A73-K114 PolarHBondContact N-O 3.04Å; A73-K114 VanDerWaalsContact N-O 3.16Å; E112-K114 PolarHBondContact O-N 3.46Å; E112-K114 VanDerWaalsContact O-N 3.1Å
115V83.7Confident83.1Confident15 Ų1567.7 Ų67.79%0.09135%0.347CS..THydrogen-bonded Turntrans-91.5-33.2179.3177.20000110.8S106 V109 E112 P113 Y117S106-V115 WeakPolarHBondContact CB-O 3.35Å; V109-V115 HydrophobicContact CB-CG1 4.42Å; V109-V115 HydrophobicContact CG2-CG1 4.08Å; E112-V115 HydrophobicContact CB-CB 4.37Å; E112-V115 HydrophobicContact CB-CG2 4.04Å; E112-V115 PolarHBondContact O-N 3.49Å; E112-V115 VanDerWaalsContact O-N 3.1Å; E112-V115 WeakPolarHBondContact OE2-CG2 3.43Å; P113-V115 PolarHBondContact O-N 3.11Å; V115-Y117 PolarHBondContact O-N 2.93Å
116W86.4Confident83.2Confident21 Ų2164.4 Ų64.48%0.0833%0.329CS..  trans-59.8122.3-179.5-62.5-16000111.7A73 M107 V109 P113 V118 S119 K176 I177A73-W116 WeakPolarHBondContact CB-O 3.46Å; M107-W116 HydrophobicContact SD-CB 4.4Å; V109-W116 PolarHBondContact O-NE1 3.35Å; P113-W116 HydrophobicContact CB-CE3 4.04Å; P113-W116 HydrophobicContact CB-CZ3 4.11Å; P113-W116 HydrophobicContact CG-CE3 4.48Å; P113-W116 HydrophobicContact CG-CZ3 4.1Å; W116-V118 PolarHBondContact O-N 3.47Å; W116-V118 VanDerWaalsContact O-N 3.14Å; W116-S119 VanDerWaalsContact O-CB 3.25Å; W116-S119 WeakPolarHBondContact O-CB 3.43Å; W116-S119 PolarHBondContact O-N 3.35Å; W116-S119 PolarHBondContact O-OG 3.26Å; W116-K176 HydrophobicContact CH2-CB 3.64Å; W116-K176 HydrophobicContact CZ2-CB 3.57Å; W116-K176 HydrophobicContact CZ2-CD 4.16Å; W116-K176 HydrophobicContact CZ2-CG 4.48Å; W116-K176 HydrophobicContact CZ3-CB 4.29Å; W116-I177 HydrophobicContact CE3-CB 3.52Å; W116-I177 HydrophobicContact CE3-CD1 4.06Å; W116-I177 HydrophobicContact CE3-CG1 3.82Å; W116-I177 HydrophobicContact CZ3-CB 3.59Å; W116-I177 HydrophobicContact CZ3-CG1 3.86Å
117Y87.8Confident83.2Confident0 Ų065.4 Ų65.40%034%0.335CS..G310 helixtrans-57.7-32.4-179.5-159.2-103.7000113.5V76 F77 I103 S106 V115 S119 L120 W130 Q133 I134 F169V76-Y117 HydrophobicContact CB-CD2 4.31Å; V76-Y117 HydrophobicContact CB-CE2 4.07Å; V76-Y117 HydrophobicContact CG1-CD2 4.11Å; V76-Y117 HydrophobicContact CG1-CE2 3.78Å; F77-Y117 HydrophobicContact CB-CE2 4.33Å; I103-Y117 HydrophobicContact CD1-CE1 4.42Å; I103-Y117 HydrophobicContact CD1-CE2 4.43Å; I103-Y117 HydrophobicContact CG1-CD2 4.19Å; I103-Y117 HydrophobicContact CG1-CE2 4.21Å; I103-Y117 HydrophobicContact CG1-CG 4.41Å; I103-Y117 HydrophobicContact CG2-CD1 4.03Å; I103-Y117 HydrophobicContact CG2-CD2 4.5Å; I103-Y117 HydrophobicContact CG2-CG 3.93Å; S106-Y117 PolarHBondContact OG-N 2.96Å; V115-Y117 PolarHBondContact O-N 2.93Å; Y117-S119 VanDerWaalsContact C-N 3.25Å; Y117-S119 PolarHBondContact O-N 2.84Å; Y117-L120 HydrophobicContact CD2-CD1 4.4Å; Y117-L120 HydrophobicContact CE2-CD1 4.28Å; Y117-L120 PolarHBondContact O-N 3.49Å; Y117-W130 HydrophobicContact CD1-CZ2 4.48Å; Y117-W130 AromaticContact CD1-NE1 3.33Å; Y117-W130 VanDerWaalsContact CD1-NE1 3.33Å; Y117-W130 AromaticContact CE1-CD1 3.83Å; Y117-W130 AromaticContact CE1-NE1 3.34Å; Y117-W130 VanDerWaalsContact CE1-NE1 3.34Å; Y117-W130 PolarHBondContact O-NE1 3Å; Y117-Q133 PolarHBondContact OH-OE1 2.68Å; Y117-I134 HydrophobicContact CD1-CD1 3.92Å; Y117-I134 HydrophobicContact CE1-CD1 3.6Å; Y117-I134 HydrophobicContact CE1-CG1 4.25Å; Y117-F169 HydrophobicContact CD1-CE1 4.18Å; Y117-F169 HydrophobicContact CD1-CZ 4.11Å
118V88.3Confident83.5Confident1 Ų171.7 Ų71.71%0.00637%0.368CS..G310 helixtrans-65.7-23.3176.7170.90000112.9M107 W116 L120 A121 W130 F169 W175 I177M107-V118 HydrophobicContact CE-CB 4.05Å; M107-V118 HydrophobicContact CE-CG2 3.4Å; M107-V118 HydrophobicContact SD-CB 4.24Å; M107-V118 HydrophobicContact SD-CG2 3.73Å; W116-V118 PolarHBondContact O-N 3.47Å; W116-V118 VanDerWaalsContact O-N 3.14Å; V118-L120 PolarHBondContact O-N 2.95Å; V118-L120 VanDerWaalsContact O-N 3.12Å; V118-A121 WeakPolarHBondContact O-CB 3.35Å; V118-A121 PolarHBondContact O-N 3.16Å; V118-W130 HydrophobicContact CG2-CZ2 4.24Å; V118-F169 HydrophobicContact CG2-CD1 4.14Å; V118-F169 HydrophobicContact CG2-CE1 3.59Å; V118-W175 HydrophobicContact CB-CD2 4.45Å; V118-W175 HydrophobicContact CG1-CD2 3.74Å; V118-W175 HydrophobicContact CG1-CE3 3.41Å; V118-W175 VanDerWaalsContact CG1-CE3 3.41Å; V118-W175 HydrophobicContact CG1-CG 4.36Å; V118-W175 HydrophobicContact CG1-CH2 4.29Å; V118-W175 HydrophobicContact CG1-CZ3 3.69Å; V118-W175 HydrophobicContact CG2-CD2 3.92Å; V118-W175 HydrophobicContact CG2-CE3 4.37Å; V118-W175 HydrophobicContact CG2-CG 4.27Å; V118-W175 HydrophobicContact CG2-CZ2 4.12Å; V118-I177 HydrophobicContact CG1-CG2 3.99Å
119S86.3Confident83.9Confident25 Ų2570 Ų7018%0.17536%0.358CS..G310 helixtrans-59.5-27.2179.6670000113.4P113 W116 Y117 A121 L122P113-S119 WeakPolarHBondContact O-CB 3.3Å; P113-S119 PolarHBondContact O-OG 3.23Å; W116-S119 VanDerWaalsContact O-CB 3.25Å; W116-S119 WeakPolarHBondContact O-CB 3.43Å; W116-S119 PolarHBondContact O-N 3.35Å; W116-S119 PolarHBondContact O-OG 3.26Å; Y117-S119 VanDerWaalsContact C-N 3.25Å; Y117-S119 PolarHBondContact O-N 2.84Å; S119-A121 PolarHBondContact O-N 3.1Å; S119-L122 WeakPolarHBondContact O-CB 3.49Å; S119-L122 PolarHBondContact O-N 2.82Å; S119-L122 VanDerWaalsContact O-N 3.14Å
120L86.9Confident84.5Confident13 Ų1368.2 Ų68.27%0.06835%0.348CS..G310 helixtrans-66.2-25.6175.8-61.1172.8000112.7A73 L74 F77 Y117 V118 L122 S123 L126 W130A73-L120 HydrophobicContact CB-CD1 4.01Å; A73-L120 HydrophobicContact CB-CD2 4.17Å; A73-L120 HydrophobicContact CB-CG 3.87Å; L74-L120 HydrophobicContact CB-CD2 4.47Å; L74-L120 HydrophobicContact CD1-CD2 4.36Å; F77-L120 HydrophobicContact CB-CD1 3.56Å; F77-L120 HydrophobicContact CD2-CD1 3.87Å; F77-L120 HydrophobicContact CG-CD1 3.89Å; Y117-L120 HydrophobicContact CD2-CD1 4.4Å; Y117-L120 HydrophobicContact CE2-CD1 4.28Å; Y117-L120 PolarHBondContact O-N 3.49Å; V118-L120 PolarHBondContact O-N 2.95Å; V118-L120 VanDerWaalsContact O-N 3.12Å; L120-L122 PolarHBondContact O-N 2.92Å; L120-S123 PolarHBondContact O-N 2.73Å; L120-L126 HydrophobicContact CD2-CD1 4.02Å; L120-W130 HydrophobicContact CB-CG 4.2Å
121A85.1Confident85.3Confident3 Ų362.6 Ų62.63%0.02532%0.322CS..G310 helixtrans-66.4-21.6175.400000112.2V118 S119 T127 W130V118-A121 WeakPolarHBondContact O-CB 3.35Å; V118-A121 PolarHBondContact O-N 3.16Å; S119-A121 PolarHBondContact O-N 3.1Å; A121-T127 WeakPolarHBondContact O-CG2 3.36Å; A121-T127 PolarHBondContact O-OG1 3.22Å; A121-W130 HydrophobicContact CB-CD2 3.95Å; A121-W130 HydrophobicContact CB-CE3 3.67Å; A121-W130 HydrophobicContact CB-CH2 4.05Å; A121-W130 HydrophobicContact CB-CZ2 4.29Å; A121-W130 HydrophobicContact CB-CZ3 3.74Å
122L84.1Confident86.3Confident76 Ų7662.1 Ų62.140%0.39831%0.313SS..G310 helixtrans-86.4-8.6178.1-56.5-179.8000113.2S119 L120 I177 L185 M189S119-L122 WeakPolarHBondContact O-CB 3.49Å; S119-L122 PolarHBondContact O-N 2.82Å; S119-L122 VanDerWaalsContact O-N 3.14Å; L120-L122 PolarHBondContact O-N 2.92Å; L122-I177 HydrophobicContact CD1-CD1 3.51Å; L122-I177 HydrophobicContact CD1-CG1 4.22Å; L122-L185 HydrophobicContact CD1-CD1 4.49Å; L122-L185 HydrophobicContact CD2-CD1 4.01Å; L122-M189 HydrophobicContact CD2-CE 3.68Å; L122-M189 HydrophobicContact CD2-SD 4.22Å
123S84.9Confident87Confident42 Ų4259.2 Ų59.229%0.29430%0.299SS..  trans-86.6120-179.5172.50000111.4L120 D125 L126 T127L120-S123 PolarHBondContact O-N 2.73Å; S123-D125 PolarHBondContact O-N 3.05Å; S123-L126 PolarHBondContact O-N 3.02Å; S123-T127 PolarHBondContact O-N 3Å; S123-T127 PolarHBondContact O-OG1 3.16Å
124K81.5Confident87.9Confident202 Ų20255.9 Ų55.988%0.87828%0.277SS*.THydrogen-bonded Turntrans-50.1-37.2-177.8-68.9-175178.3-178.90114
125D85.7Confident88.7Confident141 Ų14149.1 Ų49.175%0.75425%0.248SC*.THydrogen-bonded Turntrans-84.9-23.7-176.9-54.6-40.6000113.3S123S123-D125 PolarHBondContact O-N 3.05Å
126L89Confident89.2Confident37 Ų3750.6 Ų50.619%0.19426%0.256CS..THydrogen-bonded Turntrans-107.2-17.3-171.9-60.9176.9000113.7L74 F77 L120 S123 L128 L129 W130L74-L126 HydrophobicContact CD1-CD1 3.71Å; F77-L126 HydrophobicContact CE1-CD2 4.1Å; L120-L126 HydrophobicContact CD2-CD1 4.02Å; S123-L126 PolarHBondContact O-N 3.02Å; L126-L128 PolarHBondContact O-N 3.01Å; L126-L129 HydrophobicContact CD2-CD1 4.43Å; L126-L129 PolarHBondContact O-N 2.83Å; L126-W130 VanDerWaalsContact O-CB 3.29Å; L126-W130 WeakPolarHBondContact O-CB 3.34Å; L126-W130 PolarHBondContact O-N 3.06Å
127T88.1Confident89.6Confident31 Ų3149.6 Ų49.619%0.1925%0.252CS..Hα-helixtrans-52.5-51-175.3-56.80000112.8A121 S123 L129 W130 I131A121-T127 WeakPolarHBondContact O-CG2 3.36Å; A121-T127 PolarHBondContact O-OG1 3.22Å; S123-T127 PolarHBondContact O-N 3Å; S123-T127 PolarHBondContact O-OG1 3.16Å; T127-L129 PolarHBondContact O-N 2.85Å; T127-W130 PolarHBondContact O-N 2.77Å; T127-I131 HydrophobicContact CG2-CD1 3.9Å; T127-I131 HydrophobicContact CG2-CG1 4.47Å; T127-I131 VanDerWaalsContact O-CG1 3.29Å; T127-I131 WeakPolarHBondContact O-CG1 3.41Å; T127-I131 PolarHBondContact O-N 3.06Å
128L90.2Very high90Very high145 Ų14549.6 Ų49.676%0.75925%0.252SS*.Hα-helixtrans-65.7-40.1-177.7-68.3176.8000112.4L126 W130 I131 K132L126-L128 PolarHBondContact O-N 3.01Å; L128-W130 VanDerWaalsContact C-N 3.34Å; L128-I131 PolarHBondContact O-N 3.28Å; L128-K132 PolarHBondContact O-N 3.1Å; L128-K132 VanDerWaalsContact O-N 3.13Å
129L90.9Very high90.3Very high71 Ų7151.1 Ų51.137%0.37226%0.257SS..Hα-helixtrans-67.9-38177.7-65.3168.7000111.1F77 L126 T127 Q133F77-L129 HydrophobicContact CZ-CB 3.87Å; L126-L129 HydrophobicContact CD2-CD1 4.43Å; L126-L129 PolarHBondContact O-N 2.83Å; T127-L129 PolarHBondContact O-N 2.85Å; L129-Q133 WeakPolarHBondContact O-CB 3.4Å; L129-Q133 PolarHBondContact O-N 3.02Å
130W93.9Very high90.7Very high0 Ų052.1 Ų52.10%026%0.259CS..Hα-helixtrans-65.7-45.1175.2-177.792000112.1F77 Y117 V118 L120 A121 L126 T127 L128 K132 Q133 I134 F169 W175 I192F77-W130 HydrophobicContact CE2-CB 4.16Å; Y117-W130 HydrophobicContact CD1-CZ2 4.48Å; Y117-W130 AromaticContact CD1-NE1 3.33Å; Y117-W130 VanDerWaalsContact CD1-NE1 3.33Å; Y117-W130 AromaticContact CE1-CD1 3.83Å; Y117-W130 AromaticContact CE1-NE1 3.34Å; Y117-W130 VanDerWaalsContact CE1-NE1 3.34Å; Y117-W130 PolarHBondContact O-NE1 3Å; V118-W130 HydrophobicContact CG2-CZ2 4.24Å; L120-W130 HydrophobicContact CB-CG 4.2Å; A121-W130 HydrophobicContact CB-CD2 3.95Å; A121-W130 HydrophobicContact CB-CE3 3.67Å; A121-W130 HydrophobicContact CB-CH2 4.05Å; A121-W130 HydrophobicContact CB-CZ2 4.29Å; A121-W130 HydrophobicContact CB-CZ3 3.74Å; L126-W130 VanDerWaalsContact O-CB 3.29Å; L126-W130 WeakPolarHBondContact O-CB 3.34Å; L126-W130 PolarHBondContact O-N 3.06Å; T127-W130 PolarHBondContact O-N 2.77Å; L128-W130 VanDerWaalsContact C-N 3.34Å; W130-K132 VanDerWaalsContact C-N 3.33Å; W130-K132 PolarHBondContact O-N 3.36Å; W130-Q133 PolarHBondContact O-N 2.89Å; W130-I134 HydrophobicContact CD2-CG1 3.87Å; W130-I134 HydrophobicContact CE3-CG1 4.19Å; W130-I134 HydrophobicContact CG-CG1 4.49Å; W130-I134 HydrophobicContact CH2-CG1 3.94Å; W130-I134 HydrophobicContact CZ2-CD1 4.11Å; W130-I134 HydrophobicContact CZ2-CG1 3.61Å; W130-I134 HydrophobicContact CZ3-CG1 4.21Å; W130-I134 WeakPolarHBondContact O-CB 3.39Å; W130-I134 WeakPolarHBondContact O-CG1 3.21Å; W130-I134 PolarHBondContact O-N 3.47Å; W130-F169 HydrophobicContact CH2-CD1 4.21Å; W130-F169 HydrophobicContact CZ2-CD1 4.02Å; W130-F169 AromaticContact CZ2-CE1 3.91Å; W130-F169 HydrophobicContact CZ2-CE1 3.91Å; W130-W175 HydrophobicContact CH2-CH2 4.48Å; W130-I192 HydrophobicContact CZ3-CG2 4.23Å
131I92.3Very high91.1Very high25 Ų2551.5 Ų51.513%0.12826%0.256CS..Hα-helixtrans-58.9-46.6176.3-69.1168.6000110.4T127 L128 Q133 I134 K135 I192T127-I131 HydrophobicContact CG2-CD1 3.9Å; T127-I131 HydrophobicContact CG2-CG1 4.47Å; T127-I131 VanDerWaalsContact O-CG1 3.29Å; T127-I131 WeakPolarHBondContact O-CG1 3.41Å; T127-I131 PolarHBondContact O-N 3.06Å; L128-I131 PolarHBondContact O-N 3.28Å; I131-Q133 VanDerWaalsContact C-N 3.34Å; I131-Q133 PolarHBondContact O-N 3.46Å; I131-I134 PolarHBondContact O-N 3.32Å; I131-K135 HydrophobicContact CG2-CD 4.17Å; I131-K135 WeakPolarHBondContact O-CB 3.37Å; I131-K135 VanDerWaalsContact O-CG 3.3Å; I131-K135 WeakPolarHBondContact O-CG 3.34Å; I131-K135 PolarHBondContact O-N 2.86Å; I131-I192 HydrophobicContact CD1-CD1 4.34Å; I131-I192 HydrophobicContact CD1-CG1 4.25Å; I131-I192 HydrophobicContact CD1-CG2 4.15Å; I131-I192 HydrophobicContact CG1-CG2 3.98Å
132K92.9Very high91.6Very high140 Ų14051.4 Ų51.461%0.60925%0.254SS*.Hα-helixtrans-59.4-47176.8-177.5178.9177.9178.70111.2L128 W130 K135 D136L128-K132 PolarHBondContact O-N 3.1Å; L128-K132 VanDerWaalsContact O-N 3.13Å; W130-K132 VanDerWaalsContact C-N 3.33Å; W130-K132 PolarHBondContact O-N 3.36Å; K132-K135 WeakPolarHBondContact O-CB 3.27Å; K132-K135 PolarHBondContact O-N 3.18Å; K132-D136 PolarHBondContact O-N 3.5Å
133Q94.8Very high92Very high6 Ų650 Ų503%0.02825%0.246CC..Hα-helixtrans-64.8-43.1-178.3-165.7-173.339.400112.8F77 L84 Y117 L129 W130 I131 K135 D136 I137F77-Q133 HydrophobicContact CE2-CB 4.43Å; F77-Q133 PolarHBondContact O-NE2 3.44Å; F77-Q133 VanDerWaalsContact O-NE2 3.1Å; L84-Q133 HydrophobicContact CD1-CG 3.37Å; Y117-Q133 PolarHBondContact OH-OE1 2.68Å; L129-Q133 WeakPolarHBondContact O-CB 3.4Å; L129-Q133 PolarHBondContact O-N 3.02Å; W130-Q133 PolarHBondContact O-N 2.89Å; I131-Q133 VanDerWaalsContact C-N 3.34Å; I131-Q133 PolarHBondContact O-N 3.46Å; Q133-K135 VanDerWaalsContact C-N 3.34Å; Q133-D136 PolarHBondContact O-N 3.48Å; Q133-I137 HydrophobicContact CG-CD1 3.97Å; Q133-I137 VanDerWaalsContact O-CG1 3.28Å; Q133-I137 WeakPolarHBondContact O-CG1 3.29Å; Q133-I137 PolarHBondContact O-N 3.41Å
134I94.8Very high92.4Very high0 Ų048.1 Ų48.10%023%0.233CC..Hα-helixtrans-63.4-41.3175.8-74.8-64.7000110.7Y117 W130 I131 D136 I137 L138 F169 I196Y117-I134 HydrophobicContact CD1-CD1 3.92Å; Y117-I134 HydrophobicContact CE1-CD1 3.6Å; Y117-I134 HydrophobicContact CE1-CG1 4.25Å; W130-I134 HydrophobicContact CD2-CG1 3.87Å; W130-I134 HydrophobicContact CE3-CG1 4.19Å; W130-I134 HydrophobicContact CG-CG1 4.49Å; W130-I134 HydrophobicContact CH2-CG1 3.94Å; W130-I134 HydrophobicContact CZ2-CD1 4.11Å; W130-I134 HydrophobicContact CZ2-CG1 3.61Å; W130-I134 HydrophobicContact CZ3-CG1 4.21Å; W130-I134 WeakPolarHBondContact O-CB 3.39Å; W130-I134 WeakPolarHBondContact O-CG1 3.21Å; W130-I134 PolarHBondContact O-N 3.47Å; I131-I134 PolarHBondContact O-N 3.32Å; I134-D136 VanDerWaalsContact C-N 3.31Å; I134-D136 PolarHBondContact O-N 2.94Å; I134-I137 PolarHBondContact O-N 2.89Å; I134-L138 HydrophobicContact CG2-CD1 3.7Å; I134-L138 HydrophobicContact CG2-CG 4.05Å; I134-L138 WeakPolarHBondContact O-CB 3.34Å; I134-L138 VanDerWaalsContact O-CG 3.24Å; I134-L138 WeakPolarHBondContact O-CG 3.29Å; I134-L138 PolarHBondContact O-N 2.98Å; I134-F169 HydrophobicContact CD1-CD1 3.9Å; I134-F169 HydrophobicContact CD1-CD2 4.48Å; I134-F169 HydrophobicContact CD1-CE1 3.93Å; I134-F169 HydrophobicContact CD1-CG 4.19Å; I134-F169 HydrophobicContact CD1-CZ 4.25Å; I134-F169 HydrophobicContact CG2-CB 4.19Å; I134-F169 HydrophobicContact CG2-CG 4.47Å; I134-I196 HydrophobicContact CG2-CD1 3.79Å; I134-I196 HydrophobicContact CG2-CG1 4.47Å; I134-I196 HydrophobicContact CG2-CG2 4.46Å
135K94.8Very high92.9Very high37 Ų3738.5 Ų38.516%0.16119%0.191CC..Hα-helixtrans-56.8-45173.6-77.9175.3175.4-173.70112.2I131 K132 Q133 W139 N195 I196 H199I131-K135 HydrophobicContact CG2-CD 4.17Å; I131-K135 WeakPolarHBondContact O-CB 3.37Å; I131-K135 VanDerWaalsContact O-CG 3.3Å; I131-K135 WeakPolarHBondContact O-CG 3.34Å; I131-K135 PolarHBondContact O-N 2.86Å; K132-K135 WeakPolarHBondContact O-CB 3.27Å; K132-K135 PolarHBondContact O-N 3.18Å; Q133-K135 VanDerWaalsContact C-N 3.34Å; K135-W139 VanDerWaalsContact O-CB 3.3Å; K135-W139 WeakPolarHBondContact O-CB 3.25Å; K135-W139 PolarHBondContact O-N 3.27Å; K135-N195 VanDerWaalsContact CE-OD1 3.22Å; K135-N195 WeakPolarHBondContact CE-OD1 3.42Å; K135-N195 PolarHBondContact NZ-OD1 3.45Å; K135-I196 HydrophobicContact CG-CG1 4.26Å; K135-H199 HydrophobicContact CD-CB 3.92Å; K135-H199 HydrophobicContact CG-CB 4.17Å
136D94.3Very high93.2Very high47 Ų4734.9 Ų34.925%0.25117%0.168SC..Hα-helixtrans-66.8-46.8178.6-67-28.4000111.4K132 Q133 I134 W139 F140K132-D136 PolarHBondContact O-N 3.5Å; Q133-D136 PolarHBondContact O-N 3.48Å; I134-D136 VanDerWaalsContact C-N 3.31Å; I134-D136 PolarHBondContact O-N 2.94Å; D136-W139 PolarHBondContact O-N 3.06Å; D136-F140 HydrophobicContact CB-CE2 4.35Å; D136-F140 WeakPolarHBondContact O-CD2 3.43Å; D136-F140 WeakPolarHBondContact O-CG 3.44Å; D136-F140 PolarHBondContact O-N 3.3Å
137I95.2Very high93.2Very high0 Ų038.7 Ų38.70%019%0.185CC..Hα-helixtrans-59.3-50.1177.6-68.8168.6000110.9L84 F96 I103 Q133 I134 W139 F140 C141 M165L84-I137 HydrophobicContact CD1-CD1 4.29Å; L84-I137 HydrophobicContact CD1-CG1 3.91Å; L84-I137 HydrophobicContact CD2-CG1 4.2Å; F96-I137 HydrophobicContact CE2-CG2 4.28Å; F96-I137 HydrophobicContact CZ-CG2 4.08Å; F96-I137 WeakPolarHBondContact CZ-O 3.31Å; I103-I137 HydrophobicContact CD1-CD1 3.98Å; Q133-I137 HydrophobicContact CG-CD1 3.97Å; Q133-I137 VanDerWaalsContact O-CG1 3.28Å; Q133-I137 WeakPolarHBondContact O-CG1 3.29Å; Q133-I137 PolarHBondContact O-N 3.41Å; I134-I137 PolarHBondContact O-N 2.89Å; I137-W139 VanDerWaalsContact C-N 3.3Å; I137-W139 PolarHBondContact O-N 3.36Å; I137-F140 PolarHBondContact O-N 3.26Å; I137-C141 PolarHBondContact O-N 3.49Å; I137-C141 PolarHBondContact O-SG 3.48Å; I137-M165 HydrophobicContact CG2-CE 3.79Å
138L95.8Very high93.3Very high0 Ų037.4 Ų37.40%018%0.177CC..Hα-helixtrans-65.8-34.6-179.2-66.5-178.5000112I134 C141 C142 M165 L166 F169 T170 I196 L200I134-L138 HydrophobicContact CG2-CD1 3.7Å; I134-L138 HydrophobicContact CG2-CG 4.05Å; I134-L138 WeakPolarHBondContact O-CB 3.34Å; I134-L138 VanDerWaalsContact O-CG 3.24Å; I134-L138 WeakPolarHBondContact O-CG 3.29Å; I134-L138 PolarHBondContact O-N 2.98Å; L138-C141 WeakPolarHBondContact O-CB 3.34Å; L138-C141 PolarHBondContact O-N 2.84Å; L138-C142 PolarHBondContact O-N 3.19Å; L138-C142 VanDerWaalsContact O-N 3.07Å; L138-C142 PolarHBondContact O-SG 2.94Å; L138-C142 VanDerWaalsContact O-SG 3.33Å; L138-M165 HydrophobicContact CD2-CB 4.23Å; L138-M165 HydrophobicContact CD2-CE 4.47Å; L138-M165 WeakPolarHBondContact CD2-O 3.28Å; L138-L166 HydrophobicContact CB-CD2 4.04Å; L138-L166 HydrophobicContact CD2-CD2 4.12Å; L138-L166 HydrophobicContact CG-CD2 4.49Å; L138-F169 HydrophobicContact CD1-CB 3.87Å; L138-F169 HydrophobicContact CD2-CB 4.24Å; L138-F169 HydrophobicContact CD2-CD2 4.5Å; L138-T170 HydrophobicContact CD1-CG2 4.36Å; L138-I196 HydrophobicContact CD1-CG2 3.52Å; L138-L200 HydrophobicContact CB-CD1 4.27Å; L138-L200 HydrophobicContact CB-CD2 4.03Å; L138-L200 HydrophobicContact CD1-CD1 4.38Å
139W95.6Very high93.1Very high32 Ų3236 Ų3612%0.12117%0.165CC..Hα-helixtrans-65.8-40.3172.9-178.9-108.2000112.1K135 D136 I137 C141 C142 E143 L200 K203 V208K135-W139 VanDerWaalsContact O-CB 3.3Å; K135-W139 WeakPolarHBondContact O-CB 3.25Å; K135-W139 PolarHBondContact O-N 3.27Å; D136-W139 PolarHBondContact O-N 3.06Å; I137-W139 VanDerWaalsContact C-N 3.3Å; I137-W139 PolarHBondContact O-N 3.36Å; W139-C141 VanDerWaalsContact C-N 3.32Å; W139-C141 PolarHBondContact O-N 3.04Å; W139-C142 HydrophobicContact CE3-CB 4.06Å; W139-C142 HydrophobicContact CZ3-CB 4.17Å; W139-C142 WeakPolarHBondContact O-CA 3.42Å; W139-C142 VanDerWaalsContact O-CB 3.31Å; W139-C142 WeakPolarHBondContact O-CB 3.49Å; W139-C142 PolarHBondContact O-N 2.99Å; W139-C142 VanDerWaalsContact O-N 3.07Å; W139-E143 HydrophobicContact CZ2-CG 4.13Å; W139-E143 WeakPolarHBondContact CZ2-OE1 3.48Å; W139-E143 PolarHBondContact O-N 3.41Å; W139-L200 HydrophobicContact CB-CD2 4.28Å; W139-L200 HydrophobicContact CE3-CD2 4.25Å; W139-K203 HydrophobicContact CB-CD 4.45Å; W139-K203 HydrophobicContact CD2-CB 3.93Å; W139-K203 HydrophobicContact CD2-CD 3.49Å; W139-K203 VanDerWaalsContact CD2-CD 3.49Å; W139-K203 HydrophobicContact CD2-CG 4.38Å; W139-K203 HydrophobicContact CE3-CB 3.55Å; W139-K203 HydrophobicContact CE3-CD 3.9Å; W139-K203 HydrophobicContact CE3-CG 4.38Å; W139-K203 HydrophobicContact CG-CD 3.7Å; W139-K203 HydrophobicContact CH2-CB 3.59Å; W139-K203 WeakPolarHBondContact CH2-O 3.38Å; W139-K203 HydrophobicContact CZ2-CB 3.92Å; W139-K203 HydrophobicContact CZ2-CD 4.37Å; W139-K203 HydrophobicContact CZ3-CB 3.37Å; W139-V208 HydrophobicContact CH2-CG2 4.47Å; W139-V208 HydrophobicContact CZ3-CG2 4.47Å
140F94.5Very high92.9Very high47 Ų4732.8 Ų32.821%0.20615%0.148CC..Hα-helixtrans-64.2-36.3173.2-70.1-52000112.4L84 F87 L89 F96 D136 I137 C142 E143 F144L84-F140 HydrophobicContact CD2-CD2 3.65Å; L84-F140 HydrophobicContact CD2-CE2 3.51Å; F87-F140 AromaticContact CD1-CD1 3.84Å; F87-F140 HydrophobicContact CD1-CD1 3.84Å; F87-F140 HydrophobicContact CD1-CD2 4.11Å; F87-F140 AromaticContact CD1-CE1 3.52Å; F87-F140 HydrophobicContact CD1-CE1 3.52Å; F87-F140 AromaticContact CD1-CE2 3.81Å; F87-F140 HydrophobicContact CD1-CE2 3.81Å; F87-F140 HydrophobicContact CD1-CG 4.13Å; F87-F140 AromaticContact CD1-CZ 3.5Å; F87-F140 HydrophobicContact CD1-CZ 3.5Å; F87-F140 HydrophobicContact CE1-CB 4.36Å; F87-F140 AromaticContact CE1-CD1 3.44Å; F87-F140 HydrophobicContact CE1-CD1 3.44Å; F87-F140 VanDerWaalsContact CE1-CD1 3.44Å; F87-F140 HydrophobicContact CE1-CD2 4.09Å; F87-F140 AromaticContact CE1-CE1 3.62Å; F87-F140 HydrophobicContact CE1-CE1 3.62Å; F87-F140 HydrophobicContact CE1-CE2 4.24Å; F87-F140 AromaticContact CE1-CG 3.71Å; F87-F140 HydrophobicContact CE1-CG 3.71Å; F87-F140 HydrophobicContact CE1-CZ 4.02Å; F87-F140 HydrophobicContact CG-CE2 4.4Å; F87-F140 HydrophobicContact CG-CZ 4.38Å; F87-F140 HydrophobicContact CZ-CD1 4.45Å; F87-F140 HydrophobicContact CZ-CG 4.39Å; L89-F140 HydrophobicContact CD1-CD1 4.42Å; F96-F140 HydrophobicContact CE1-CB 4.25Å; F96-F140 HydrophobicContact CE2-CB 3.85Å; F96-F140 HydrophobicContact CE2-CD2 4.44Å; F96-F140 HydrophobicContact CZ-CB 3.59Å; D136-F140 HydrophobicContact CB-CE2 4.35Å; D136-F140 WeakPolarHBondContact O-CD2 3.43Å; D136-F140 WeakPolarHBondContact O-CG 3.44Å; D136-F140 PolarHBondContact O-N 3.3Å; I137-F140 PolarHBondContact O-N 3.26Å; F140-C142 VanDerWaalsContact C-N 3.28Å; F140-C142 PolarHBondContact O-N 3Å; F140-E143 PolarHBondContact O-N 3.4Å; F140-F144 WeakPolarHBondContact O-CD2 3.47Å; F140-F144 PolarHBondContact O-N 3.13Å
141C95.2Very high92.4Very high0 Ų036.7 Ų36.70%017%0.169CC..Hα-helixtrans-55.8-44.6168.6-68.80000111.2I137 L138 W139 F144 L145 H162I137-C141 PolarHBondContact O-N 3.49Å; I137-C141 PolarHBondContact O-SG 3.48Å; L138-C141 WeakPolarHBondContact O-CB 3.34Å; L138-C141 PolarHBondContact O-N 2.84Å; W139-C141 VanDerWaalsContact C-N 3.32Å; W139-C141 PolarHBondContact O-N 3.04Å; C141-F144 PolarHBondContact O-N 3.49Å; C141-L145 VanDerWaalsContact O-CG 3.28Å; C141-L145 WeakPolarHBondContact O-CG 3.35Å; C141-L145 PolarHBondContact O-N 2.79Å; C141-H162 HydrophobicContact CB-CB 3.98Å; C141-H162 PolarHBondContact SG-ND1 3.25Å
142C94.8Very high92.1Very high0 Ų039.1 Ų39.10%018%0.182CC..Hα-helixtrans-63.3-42.8176-64.90000112.9L138 W139 F140 F144 L145 K146 V208L138-C142 PolarHBondContact O-N 3.19Å; L138-C142 VanDerWaalsContact O-N 3.07Å; L138-C142 PolarHBondContact O-SG 2.94Å; L138-C142 VanDerWaalsContact O-SG 3.33Å; W139-C142 HydrophobicContact CE3-CB 4.06Å; W139-C142 HydrophobicContact CZ3-CB 4.17Å; W139-C142 WeakPolarHBondContact O-CA 3.42Å; W139-C142 VanDerWaalsContact O-CB 3.31Å; W139-C142 WeakPolarHBondContact O-CB 3.49Å; W139-C142 PolarHBondContact O-N 2.99Å; W139-C142 VanDerWaalsContact O-N 3.07Å; F140-C142 VanDerWaalsContact C-N 3.28Å; F140-C142 PolarHBondContact O-N 3Å; C142-F144 VanDerWaalsContact C-N 3.35Å; C142-F144 PolarHBondContact O-N 3.46Å; C142-L145 WeakPolarHBondContact O-CB 3.35Å; C142-L145 PolarHBondContact O-N 3.14Å; C142-K146 PolarHBondContact O-N 3.06Å; C142-V208 HydrophobicContact CB-CB 4.42Å; C142-V208 HydrophobicContact CB-CG1 4.02Å; C142-V208 HydrophobicContact CB-CG2 3.84Å; C142-V208 WeakPolarHBondContact O-CG1 3.34Å
143E93.1Very high91.8Very high47 Ų4738.5 Ų38.522%0.2218%0.184CC..Hα-helixtrans-63.8-38.7177.1-74.4-67.2116.500112.2L89 W139 F140 K146L89-E143 HydrophobicContact CD1-CB 4.01Å; W139-E143 HydrophobicContact CZ2-CG 4.13Å; W139-E143 WeakPolarHBondContact CZ2-OE1 3.48Å; W139-E143 PolarHBondContact O-N 3.41Å; F140-E143 PolarHBondContact O-N 3.4Å; E143-K146 WeakPolarHBondContact O-CB 3.44Å; E143-K146 PolarHBondContact O-N 3.47Å; E143-K146 WeakPolarHBondContact OE1-CE 3.48Å; E143-K146 IonicContact OE1-NZ 3.16Å; E143-K146 PolarHBondContact OE1-NZ 2.93Å
144F92.6Very high91.4Very high3 Ų345.3 Ų45.31%0.01322%0.216CC..Hα-helixtrans-66-41.4172.3-77-61000112F87 L89 K93 F96 F140 C141 C142 K146 Q147 L148F87-F144 AromaticContact CZ-CE2 3.79Å; F87-F144 HydrophobicContact CZ-CE2 3.79Å; F87-F144 AromaticContact CZ-CZ 3.84Å; F87-F144 HydrophobicContact CZ-CZ 3.84Å; L89-F144 HydrophobicContact CD1-CD1 4.36Å; L89-F144 HydrophobicContact CD1-CD2 4.5Å; L89-F144 HydrophobicContact CD1-CE1 4Å; L89-F144 HydrophobicContact CD1-CE2 4.15Å; L89-F144 HydrophobicContact CD1-CZ 3.89Å; L89-F144 HydrophobicContact CG-CD1 4.49Å; L89-F144 HydrophobicContact CG-CE1 3.94Å; L89-F144 HydrophobicContact CG-CZ 4.15Å; K93-F144 HydrophobicContact CB-CE1 4.14Å; K93-F144 HydrophobicContact CB-CZ 4.4Å; K93-F144 HydrophobicContact CG-CE1 3.99Å; F96-F144 HydrophobicContact CB-CE2 4.16Å; F96-F144 AromaticContact CD1-CD2 3.64Å; F96-F144 HydrophobicContact CD1-CD2 3.64Å; F96-F144 AromaticContact CD1-CE2 3.32Å; F96-F144 HydrophobicContact CD1-CE2 3.32Å; F96-F144 HydrophobicContact CD1-CZ 4.37Å; F96-F144 AromaticContact CE1-CD2 3.73Å; F96-F144 HydrophobicContact CE1-CD2 3.73Å; F96-F144 AromaticContact CE1-CE2 3.79Å; F96-F144 HydrophobicContact CE1-CE2 3.79Å; F96-F144 AromaticContact CG-CE2 3.78Å; F96-F144 HydrophobicContact CG-CE2 3.78Å; F140-F144 WeakPolarHBondContact O-CD2 3.47Å; F140-F144 PolarHBondContact O-N 3.13Å; C141-F144 PolarHBondContact O-N 3.49Å; C142-F144 VanDerWaalsContact C-N 3.35Å; C142-F144 PolarHBondContact O-N 3.46Å; F144-K146 PolarHBondContact O-N 3.45Å; F144-K146 VanDerWaalsContact O-N 3.16Å; F144-Q147 PolarHBondContact O-N 2.93Å; F144-L148 VanDerWaalsContact O-CG 3.31Å; F144-L148 WeakPolarHBondContact O-CG 3.45Å; F144-L148 PolarHBondContact O-N 3.05Å
145L93.1Very high91.2Very high0 Ų046.3 Ų46.30%022%0.222CC..Hα-helixtrans-57.2-29.9176.6-74.2173.1000113.1C141 C142 Q147 L148 V159 H162 L163 L166 V208 L212C141-L145 VanDerWaalsContact O-CG 3.28Å; C141-L145 WeakPolarHBondContact O-CG 3.35Å; C141-L145 PolarHBondContact O-N 2.79Å; C142-L145 WeakPolarHBondContact O-CB 3.35Å; C142-L145 PolarHBondContact O-N 3.14Å; L145-Q147 VanDerWaalsContact C-N 3.27Å; L145-Q147 PolarHBondContact O-N 3.34Å; L145-L148 HydrophobicContact CD2-CD1 4.48Å; L145-V159 HydrophobicContact CD2-CB 4.21Å; L145-V159 HydrophobicContact CD2-CG1 4.09Å; L145-V159 HydrophobicContact CD2-CG2 4.09Å; L145-H162 HydrophobicContact CD1-CB 4.27Å; L145-H162 HydrophobicContact CD2-CB 3.94Å; L145-H162 HydrophobicContact CG-CB 3.94Å; L145-L163 HydrophobicContact CD1-CD2 3.97Å; L145-L163 HydrophobicContact CD1-CG 4.48Å; L145-L163 HydrophobicContact CD2-CG 4.4Å; L145-L166 HydrophobicContact CD1-CD1 3.77Å; L145-V208 HydrophobicContact CB-CG1 3.86Å; L145-L212 HydrophobicContact CD2-CD1 4.41Å; L145-L212 HydrophobicContact CD2-CD2 4.08Å
146K90.8Very high90.9Very high64 Ų6445.8 Ų45.828%0.27822%0.223SC..Hα-helixtrans-65-28.3174.2-67.5179.6177.9168.40113.5C142 E143 F144 V208 I211C142-K146 PolarHBondContact O-N 3.06Å; E143-K146 WeakPolarHBondContact O-CB 3.44Å; E143-K146 PolarHBondContact O-N 3.47Å; E143-K146 WeakPolarHBondContact OE1-CE 3.48Å; E143-K146 IonicContact OE1-NZ 3.16Å; E143-K146 PolarHBondContact OE1-NZ 2.93Å; F144-K146 PolarHBondContact O-N 3.45Å; F144-K146 VanDerWaalsContact O-N 3.16Å; K146-V208 HydrophobicContact CD-CG2 4.32Å; K146-V208 HydrophobicContact CG-CB 4.37Å; K146-V208 HydrophobicContact CG-CG1 4.11Å; K146-V208 HydrophobicContact CG-CG2 4.11Å; K146-I211 HydrophobicContact CD-CD1 4.41Å; K146-I211 HydrophobicContact CG-CD1 4.12Å
147Q89.5Confident90.7Very high117 Ų11750 Ų5055%0.54724%0.239SC..Hα-helixtrans-97.4-20.5-173-61.8-176.3-0.400113.3F144 L145F144-Q147 PolarHBondContact O-N 2.93Å; L145-Q147 VanDerWaalsContact C-N 3.27Å; L145-Q147 PolarHBondContact O-N 3.34Å
148L89.5Confident90.5Very high4 Ų450.5 Ų50.52%0.02124%0.241CC..  trans-79.3141-175.5-66.3168.8000111.5F144 L145 D155 L158 V159F144-L148 VanDerWaalsContact O-CG 3.31Å; F144-L148 WeakPolarHBondContact O-CG 3.45Å; F144-L148 PolarHBondContact O-N 3.05Å; L145-L148 HydrophobicContact CD2-CD1 4.48Å; L148-D155 HydrophobicContact CB-CB 4.22Å; L148-D155 HydrophobicContact CD2-CB 3.89Å; L148-D155 VanDerWaalsContact CD2-CG 3.46Å; L148-D155 VanDerWaalsContact CD2-OD1 3.31Å; L148-D155 WeakPolarHBondContact CD2-OD1 2.99Å; L148-L158 HydrophobicContact CD1-CB 3.71Å; L148-L158 HydrophobicContact CD2-CB 4.04Å; L148-L158 HydrophobicContact CD2-CD1 3.75Å; L148-V159 HydrophobicContact CB-CG2 3.8Å; L148-V159 HydrophobicContact CD1-CG2 3.98Å
149K87.2Confident90.4Very high115 Ų11550.5 Ų50.550%0.524%0.241SC..  trans-108.5112.3177.1-68.8-171.9179.8-175.80110.5D151 I152 D155K149-D151 WeakPolarHBondContact CB-OD1 3.48Å; K149-D151 PolarHBondContact O-N 3.47Å; K149-I152 HydrophobicContact CB-CD1 4.12Å; K149-I152 HydrophobicContact CB-CG1 4.31Å; K149-I152 HydrophobicContact CD-CD1 4.43Å; K149-I152 PolarHBondContact O-N 3.29Å; K149-D155 PolarHBondContact N-OD2 3.45Å; K149-D155 WeakPolarHBondContact O-CB 3.27Å
150P86.3Confident90.2Very high5 Ų551.5 Ų51.53%0.03225%0.249CC..THydrogen-bonded Turntrans-61.4-19.6-172.9-24.333.8000115.5I152 L212 L224P150-I152 VanDerWaalsContact C-N 3.33Å; P150-L212 HydrophobicContact CG-CD1 4.01Å; P150-L224 HydrophobicContact CB-CD2 3.89Å; P150-L224 HydrophobicContact CB-CG 4.25Å; P150-L224 HydrophobicContact CG-CD2 3.88Å; P150-L224 HydrophobicContact CG-CG 4.3Å
151D82.9Confident90.2Very high81 Ų8150.4 Ų50.443%0.43325%0.245SC..THydrogen-bonded Turntrans-71-23.3175.147.2-64.3000114.7K149 R219K149-D151 WeakPolarHBondContact CB-OD1 3.48Å; K149-D151 PolarHBondContact O-N 3.47Å; D151-R219 VanDerWaalsContact CB-NH1 3.31Å; D151-R219 IonicContact OD1-CZ 2.68Å; D151-R219 IonicContact OD1-NH1 3.93Å; D151-R219 IonicContact OD1-NH2 3.94Å; D151-R219 PolarHBondContact OD1-NH2 3.06Å
152I87.5Confident90.2Very high77 Ų7750.6 Ų50.640%0.39525%0.246SC..SBendtrans-84.4121.8176-58.1175000107.7K149 P150 Q154 D155 S156K149-I152 HydrophobicContact CB-CD1 4.12Å; K149-I152 HydrophobicContact CB-CG1 4.31Å; K149-I152 HydrophobicContact CD-CD1 4.43Å; K149-I152 PolarHBondContact O-N 3.29Å; P150-I152 VanDerWaalsContact C-N 3.33Å; I152-Q154 VanDerWaalsContact C-N 3.25Å; I152-Q154 HydrophobicContact CG2-CB 4.43Å; I152-Q154 PolarHBondContact O-N 3.33Å; I152-Q154 VanDerWaalsContact O-N 3.16Å; I152-D155 HydrophobicContact CB-CB 4.07Å; I152-D155 HydrophobicContact CG2-CB 4.48Å; I152-D155 PolarHBondContact O-N 2.9Å; I152-S156 PolarHBondContact O-N 3.35Å
153L85.9Confident90.2Very high126 Ų12650.7 Ų50.766%0.6625%0.247SC*.Hα-helixtrans-57.5-35.5-174.2-172.9129.1000113.5K157L153-K157 PolarHBondContact O-N 3.46Å
154Q86.6Confident90.2Very high149 Ų14951.4 Ų51.470%0.69625%0.254SS*.Hα-helixtrans-66.7-46.2174.4-68.8-178.7-8.600111.8I152 S156 K157 L158I152-Q154 VanDerWaalsContact C-N 3.25Å; I152-Q154 HydrophobicContact CG2-CB 4.43Å; I152-Q154 PolarHBondContact O-N 3.33Å; I152-Q154 VanDerWaalsContact O-N 3.16Å; Q154-S156 VanDerWaalsContact C-N 3.33Å; Q154-S156 PolarHBondContact O-N 2.65Å; Q154-K157 WeakPolarHBondContact O-CB 3.43Å; Q154-K157 PolarHBondContact O-N 2.59Å; Q154-L158 PolarHBondContact O-N 2.96Å
155D89.6Confident90.3Very high22 Ų2251.3 Ų51.312%0.11825%0.254CS..Hα-helixtrans-66.5-35.3178.1-77.50.2000111.7K93 L148 K149 I152 K157 L158 V159K93-D155 IonicContact NZ-OD1 2.78Å; L148-D155 HydrophobicContact CB-CB 4.22Å; L148-D155 HydrophobicContact CD2-CB 3.89Å; L148-D155 VanDerWaalsContact CD2-CG 3.46Å; L148-D155 VanDerWaalsContact CD2-OD1 3.31Å; L148-D155 WeakPolarHBondContact CD2-OD1 2.99Å; K149-D155 PolarHBondContact N-OD2 3.45Å; K149-D155 WeakPolarHBondContact O-CB 3.27Å; I152-D155 HydrophobicContact CB-CB 4.07Å; I152-D155 HydrophobicContact CG2-CB 4.48Å; I152-D155 PolarHBondContact O-N 2.9Å; D155-K157 VanDerWaalsContact C-N 3.3Å; D155-K157 PolarHBondContact O-N 2.86Å; D155-L158 CarbonylContact O-C 3.29Å; D155-L158 WeakPolarHBondContact O-CA 3.49Å; D155-L158 WeakPolarHBondContact O-CB 3.21Å; D155-L158 PolarHBondContact O-N 2.97Å; D155-V159 WeakPolarHBondContact O-CG2 3.49Å; D155-V159 PolarHBondContact O-N 3.3Å
156S89.4Confident90.3Very high26 Ų2651.3 Ų51.318%0.18225%0.254CS..Hα-helixtrans-59.3-39.1174.6-171.30000112.4I152 Q154 V159 N160I152-S156 PolarHBondContact O-N 3.35Å; Q154-S156 VanDerWaalsContact C-N 3.33Å; Q154-S156 PolarHBondContact O-N 2.65Å; S156-V159 PolarHBondContact O-N 3.11Å; S156-N160 PolarHBondContact O-N 3.08Å; S156-N160 VanDerWaalsContact O-N 3.08Å; S156-N160 PolarHBondContact O-ND2 3.41Å; S156-N160 VanDerWaalsContact O-ND2 3.12Å
157K89.7Confident90.5Very high135 Ų13550.1 Ų50.159%0.58725%0.25SC*.Hα-helixtrans-64.3-41.5172.8-67.9178.2-177.7-178.40111.5L153 Q154 D155 N160 L161L153-K157 PolarHBondContact O-N 3.46Å; Q154-K157 WeakPolarHBondContact O-CB 3.43Å; Q154-K157 PolarHBondContact O-N 2.59Å; D155-K157 VanDerWaalsContact C-N 3.3Å; D155-K157 PolarHBondContact O-N 2.86Å; K157-N160 PolarHBondContact O-N 3.19Å; K157-L161 PolarHBondContact O-N 2.89Å
158L91.1Very high90.5Very high11 Ų1145.2 Ų45.26%0.05823%0.228CC..Hα-helixtrans-67.4-39.6177-66.4175.7000112.4E97 L148 Q154 D155 N160 L161 H162E97-L158 HydrophobicContact CB-CD2 4.46Å; E97-L158 HydrophobicContact CG-CD2 3.84Å; E97-L158 WeakPolarHBondContact OE1-CD2 3.49Å; L148-L158 HydrophobicContact CD1-CB 3.71Å; L148-L158 HydrophobicContact CD2-CB 4.04Å; L148-L158 HydrophobicContact CD2-CD1 3.75Å; Q154-L158 PolarHBondContact O-N 2.96Å; D155-L158 CarbonylContact O-C 3.29Å; D155-L158 WeakPolarHBondContact O-CA 3.49Å; D155-L158 WeakPolarHBondContact O-CB 3.21Å; D155-L158 PolarHBondContact O-N 2.97Å; L158-N160 VanDerWaalsContact C-N 3.32Å; L158-N160 PolarHBondContact O-N 3.39Å; L158-L161 HydrophobicContact CD2-CD2 4.47Å; L158-L161 WeakPolarHBondContact O-CB 3.21Å; L158-L161 PolarHBondContact O-N 3.48Å; L158-H162 PolarHBondContact O-CD2 2.97Å; L158-H162 PolarHBondContact O-N 3.47Å
159V93.1Very high90.7Very high0 Ų045 Ų450%023%0.227CC..Hα-helixtrans-57.4-48.7173.6167.70000109.6L145 L148 D155 S156 L161 H162 L163 L212 L224L145-V159 HydrophobicContact CD2-CB 4.21Å; L145-V159 HydrophobicContact CD2-CG1 4.09Å; L145-V159 HydrophobicContact CD2-CG2 4.09Å; L148-V159 HydrophobicContact CB-CG2 3.8Å; L148-V159 HydrophobicContact CD1-CG2 3.98Å; D155-V159 WeakPolarHBondContact O-CG2 3.49Å; D155-V159 PolarHBondContact O-N 3.3Å; S156-V159 PolarHBondContact O-N 3.11Å; V159-L161 PolarHBondContact O-N 3.25Å; V159-H162 PolarHBondContact O-N 2.96Å; V159-L163 HydrophobicContact CG1-CD1 3.65Å; V159-L163 HydrophobicContact CG1-CG 4.23Å; V159-L163 WeakPolarHBondContact O-CB 3.47Å; V159-L163 VanDerWaalsContact O-CG 3.23Å; V159-L163 WeakPolarHBondContact O-CG 3.05Å; V159-L163 PolarHBondContact O-N 3.26Å; V159-L212 HydrophobicContact CG1-CD1 4.01Å; V159-L212 HydrophobicContact CG1-CD2 4.29Å; V159-L212 HydrophobicContact CG2-CD1 3.99Å; V159-L224 HydrophobicContact CG1-CD2 4.36Å
160N92.8Very high90.8Very high53 Ų5340 Ų4028%0.28321%0.206SC..Hα-helixtrans-61.5-41.4176.6-75.6-43.3000112.6S156 K157 L158 T164 S228S156-N160 PolarHBondContact O-N 3.08Å; S156-N160 VanDerWaalsContact O-N 3.08Å; S156-N160 PolarHBondContact O-ND2 3.41Å; S156-N160 VanDerWaalsContact O-ND2 3.12Å; K157-N160 PolarHBondContact O-N 3.19Å; L158-N160 VanDerWaalsContact C-N 3.32Å; L158-N160 PolarHBondContact O-N 3.39Å; N160-T164 VanDerWaalsContact O-CB 3.29Å; N160-T164 WeakPolarHBondContact O-CB 3.47Å; N160-T164 PolarHBondContact O-N 2.88Å; N160-T164 PolarHBondContact O-OG1 3.44Å; N160-S228 PolarHBondContact OD1-OG 3.49Å
161L93.6Very high90.9Very high23 Ų2341.8 Ų41.812%0.1222%0.215CC..Hα-helixtrans-59.2-50.7176.518069.6000111.7E97 C100 R101 L104 K157 L158 V159 T164 M165E97-L161 HydrophobicContact CG-CD2 3.74Å; C100-L161 HydrophobicContact CB-CD1 4.36Å; C100-L161 HydrophobicContact CB-CD2 4.04Å; C100-L161 HydrophobicContact CB-CG 4.16Å; R101-L161 HydrophobicContact CG-CD1 3.72Å; R101-L161 HydrophobicContact CG-CD2 4.03Å; L104-L161 HydrophobicContact CD1-CD1 3.66Å; K157-L161 PolarHBondContact O-N 2.89Å; L158-L161 HydrophobicContact CD2-CD2 4.47Å; L158-L161 WeakPolarHBondContact O-CB 3.21Å; L158-L161 PolarHBondContact O-N 3.48Å; V159-L161 PolarHBondContact O-N 3.25Å; L161-T164 PolarHBondContact O-N 3.17Å; L161-M165 PolarHBondContact O-N 3.12Å
162H94.9Very high91.1Very high5 Ų538.2 Ų38.22%0.02320%0.196CC..Hα-helixtrans-69.2-38.5-178.3-66.2-47.8000112.7F96 C141 L145 L158 V159 T164 M165 L166F96-H162 AromaticContact CD1-CE1 3.95Å; F96-H162 AromaticContact CE1-CE1 3.79Å; C141-H162 HydrophobicContact CB-CB 3.98Å; C141-H162 PolarHBondContact SG-ND1 3.25Å; L145-H162 HydrophobicContact CD1-CB 4.27Å; L145-H162 HydrophobicContact CD2-CB 3.94Å; L145-H162 HydrophobicContact CG-CB 3.94Å; L158-H162 PolarHBondContact O-CD2 2.97Å; L158-H162 PolarHBondContact O-N 3.47Å; V159-H162 PolarHBondContact O-N 2.96Å; H162-T164 VanDerWaalsContact C-N 3.33Å; H162-M165 WeakPolarHBondContact O-CB 3.18Å; H162-M165 PolarHBondContact O-N 2.84Å; H162-L166 WeakPolarHBondContact O-CG 3.31Å; H162-L166 PolarHBondContact O-N 3.35Å
163L94.4Very high90.9Very high2 Ų238 Ų381%0.0120%0.201CC..Hα-helixtrans-64.9-37.9173.3-71.1175.7000111.8L145 V159 L166 I167 L212 A231 V232 L235L145-L163 HydrophobicContact CD1-CD2 3.97Å; L145-L163 HydrophobicContact CD1-CG 4.48Å; L145-L163 HydrophobicContact CD2-CG 4.4Å; V159-L163 HydrophobicContact CG1-CD1 3.65Å; V159-L163 HydrophobicContact CG1-CG 4.23Å; V159-L163 WeakPolarHBondContact O-CB 3.47Å; V159-L163 VanDerWaalsContact O-CG 3.23Å; V159-L163 WeakPolarHBondContact O-CG 3.05Å; V159-L163 PolarHBondContact O-N 3.26Å; L163-L166 HydrophobicContact CD2-CD1 4.47Å; L163-L166 PolarHBondContact O-N 3.25Å; L163-I167 WeakPolarHBondContact O-CG1 3.33Å; L163-I167 PolarHBondContact O-N 3.28Å; L163-L212 HydrophobicContact CD1-CD2 4.34Å; L163-L212 HydrophobicContact CD2-CD2 4.14Å; L163-A231 HydrophobicContact CB-CB 4.13Å; L163-A231 HydrophobicContact CD1-CB 4.27Å; L163-V232 HydrophobicContact CD1-CG2 3.77Å; L163-V232 HydrophobicContact CD2-CG2 3.65Å; L163-V232 HydrophobicContact CG-CG2 4.39Å; L163-L235 HydrophobicContact CD2-CD1 4.1Å
164T93.8Very high90.7Very high62 Ų6234.7 Ų34.738%0.3819%0.187SC..Hα-helixtrans-65-45.2175.9-55.80000110.6L104 N160 L161 H162 L166 I167 T168L104-T164 HydrophobicContact CD1-CG2 3.91Å; L104-T164 HydrophobicContact CD2-CG2 4.08Å; N160-T164 VanDerWaalsContact O-CB 3.29Å; N160-T164 WeakPolarHBondContact O-CB 3.47Å; N160-T164 PolarHBondContact O-N 2.88Å; N160-T164 PolarHBondContact O-OG1 3.44Å; L161-T164 PolarHBondContact O-N 3.17Å; H162-T164 VanDerWaalsContact C-N 3.33Å; T164-L166 VanDerWaalsContact C-N 3.28Å; T164-L166 PolarHBondContact O-N 3.08Å; T164-I167 PolarHBondContact O-N 2.89Å; T164-T168 WeakPolarHBondContact O-CB 3.43Å; T164-T168 PolarHBondContact O-N 3.46Å; T164-T168 PolarHBondContact O-OG1 3.4Å
165M94.4Very high90.7Very high0 Ų027.7 Ų27.70%015%0.154CC..Hα-helixtrans-52.4-46.9171.7-78.8-65.3-62.800112.1C100 I103 L104 I137 L138 L161 H162 F169C100-M165 HydrophobicContact CB-CG 4Å; C100-M165 HydrophobicContact CB-SD 4.25Å; I103-M165 HydrophobicContact CB-CE 4.44Å; I103-M165 HydrophobicContact CB-SD 4.4Å; I103-M165 HydrophobicContact CD1-CE 4.41Å; I103-M165 HydrophobicContact CG2-CE 4.07Å; I103-M165 HydrophobicContact CG2-SD 4.23Å; L104-M165 HydrophobicContact CD1-CG 4Å; L104-M165 HydrophobicContact CD1-SD 4.05Å; L104-M165 HydrophobicContact CD2-CG 4.27Å; L104-M165 HydrophobicContact CD2-SD 3.59Å; L104-M165 VanDerWaalsContact CD2-SD 3.59Å; L104-M165 HydrophobicContact CG-CG 4.09Å; L104-M165 HydrophobicContact CG-SD 3.46Å; L104-M165 WeakPolarHBondContact CG-SD 3.34Å; I137-M165 HydrophobicContact CG2-CE 3.79Å; L138-M165 HydrophobicContact CD2-CB 4.23Å; L138-M165 HydrophobicContact CD2-CE 4.47Å; L138-M165 WeakPolarHBondContact CD2-O 3.28Å; L161-M165 PolarHBondContact O-N 3.12Å; H162-M165 WeakPolarHBondContact O-CB 3.18Å; H162-M165 PolarHBondContact O-N 2.84Å; M165-F169 HydrophobicContact CE-CD2 3.87Å; M165-F169 HydrophobicContact CE-CE2 3.68Å; M165-F169 WeakPolarHBondContact O-CD2 3.5Å; M165-F169 PolarHBondContact O-N 3.47Å; M165-F169 VanDerWaalsContact O-N 3.15Å; M165-F169 HydrophobicContact SD-CD2 4.42Å; M165-F169 HydrophobicContact SD-CE2 4.04Å
166L94.3Very high90.4Very high0 Ų029.2 Ų29.20%016%0.16CC..Hα-helixtrans-63.6-47177.9-72.4164.5000111.7L138 L145 H162 L163 T164 T168 T170 L200 F205 L235L138-L166 HydrophobicContact CB-CD2 4.04Å; L138-L166 HydrophobicContact CD2-CD2 4.12Å; L138-L166 HydrophobicContact CG-CD2 4.49Å; L145-L166 HydrophobicContact CD1-CD1 3.77Å; H162-L166 WeakPolarHBondContact O-CG 3.31Å; H162-L166 PolarHBondContact O-N 3.35Å; L163-L166 HydrophobicContact CD2-CD1 4.47Å; L163-L166 PolarHBondContact O-N 3.25Å; T164-L166 VanDerWaalsContact C-N 3.28Å; T164-L166 PolarHBondContact O-N 3.08Å; L166-T168 PolarHBondContact O-N 3.05Å; L166-T170 VanDerWaalsContact O-CB 3.29Å; L166-T170 WeakPolarHBondContact O-CB 3.47Å; L166-T170 WeakPolarHBondContact O-CG2 3.3Å; L166-T170 PolarHBondContact O-N 3.47Å; L166-T170 PolarHBondContact O-OG1 3.41Å; L166-L200 HydrophobicContact CD2-CD1 3.88Å; L166-F205 HydrophobicContact CD1-CE2 4.14Å; L166-F205 HydrophobicContact CD2-CE2 4.38Å; L166-L235 HydrophobicContact CB-CD1 3.68Å; L166-L235 HydrophobicContact CB-CD2 4.05Å; L166-L235 HydrophobicContact CD1-CD1 4.26Å
167I93.2Very high90Very high39 Ų3929.4 Ų29.420%0.216%0.158CC..Hα-helixtrans-59.2-49.9178.7-72.3164.2000110.9L163 T164 T170 D171 A231 L235 R238L163-I167 WeakPolarHBondContact O-CG1 3.33Å; L163-I167 PolarHBondContact O-N 3.28Å; T164-I167 PolarHBondContact O-N 2.89Å; I167-T170 PolarHBondContact O-N 3.29Å; I167-D171 PolarHBondContact O-N 2.92Å; I167-A231 HydrophobicContact CD1-CB 3.21Å; I167-A231 HydrophobicContact CG1-CB 4.14Å; I167-L235 HydrophobicContact CG1-CD1 4.2Å; I167-L235 HydrophobicContact CG1-CD2 4.31Å; I167-L235 HydrophobicContact CG1-CG 4.14Å; I167-R238 PolarHBondContact O-NH1 3.19Å
168T91.1Very high89.6Confident14 Ų1423.1 Ų23.19%0.08613%0.131CC..Hα-helixtrans-61.9-46.4-174.3-57.80000111L104 M107 T164 L166 D171 W175L104-T168 HydrophobicContact CD2-CG2 4.47Å; M107-T168 HydrophobicContact CE-CG2 4.33Å; M107-T168 HydrophobicContact CG-CG2 4.29Å; T164-T168 WeakPolarHBondContact O-CB 3.43Å; T164-T168 PolarHBondContact O-N 3.46Å; T164-T168 PolarHBondContact O-OG1 3.4Å; L166-T168 PolarHBondContact O-N 3.05Å; T168-D171 VanDerWaalsContact O-O 3.09Å; T168-W175 PolarHBondContact O-NE1 3.21Å
169F92.1Very high89.1Confident0 Ų030.8 Ų30.80%016%0.159CC..Hα-helixtrans-91.74.4-174.7-70.1-76.5000115I103 M107 Y117 V118 W130 I134 L138 M165 W175I103-F169 HydrophobicContact CG2-CE2 3.53Å; I103-F169 HydrophobicContact CG2-CZ 3.43Å; I103-F169 VanDerWaalsContact CG2-CZ 3.43Å; M107-F169 HydrophobicContact CG-CZ 4.46Å; Y117-F169 HydrophobicContact CD1-CE1 4.18Å; Y117-F169 HydrophobicContact CD1-CZ 4.11Å; V118-F169 HydrophobicContact CG2-CD1 4.14Å; V118-F169 HydrophobicContact CG2-CE1 3.59Å; W130-F169 HydrophobicContact CH2-CD1 4.21Å; W130-F169 HydrophobicContact CZ2-CD1 4.02Å; W130-F169 AromaticContact CZ2-CE1 3.91Å; W130-F169 HydrophobicContact CZ2-CE1 3.91Å; I134-F169 HydrophobicContact CD1-CD1 3.9Å; I134-F169 HydrophobicContact CD1-CD2 4.48Å; I134-F169 HydrophobicContact CD1-CE1 3.93Å; I134-F169 HydrophobicContact CD1-CG 4.19Å; I134-F169 HydrophobicContact CD1-CZ 4.25Å; I134-F169 HydrophobicContact CG2-CB 4.19Å; I134-F169 HydrophobicContact CG2-CG 4.47Å; L138-F169 HydrophobicContact CD1-CB 3.87Å; L138-F169 HydrophobicContact CD2-CB 4.24Å; L138-F169 HydrophobicContact CD2-CD2 4.5Å; M165-F169 HydrophobicContact CE-CD2 3.87Å; M165-F169 HydrophobicContact CE-CE2 3.68Å; M165-F169 WeakPolarHBondContact O-CD2 3.5Å; M165-F169 PolarHBondContact O-N 3.47Å; M165-F169 VanDerWaalsContact O-N 3.15Å; M165-F169 HydrophobicContact SD-CD2 4.42Å; M165-F169 HydrophobicContact SD-CE2 4.04Å; F169-W175 HydrophobicContact CD1-CZ2 4.46Å
170T90.7Very high88.5Confident10 Ų1033.4 Ų33.46%0.06119%0.186CC..Hα-helixtrans-114.21.7174.663.20000113.8L138 L166 I167 I196 M197 L200 L235 R238L138-T170 HydrophobicContact CD1-CG2 4.36Å; L166-T170 VanDerWaalsContact O-CB 3.29Å; L166-T170 WeakPolarHBondContact O-CB 3.47Å; L166-T170 WeakPolarHBondContact O-CG2 3.3Å; L166-T170 PolarHBondContact O-N 3.47Å; L166-T170 PolarHBondContact O-OG1 3.41Å; I167-T170 PolarHBondContact O-N 3.29Å; T170-I196 HydrophobicContact CG2-CG2 4.45Å; T170-M197 VanDerWaalsContact CB-CE 3.43Å; T170-M197 HydrophobicContact CG2-CE 3.6Å; T170-M197 HydrophobicContact CG2-SD 4.33Å; T170-L200 HydrophobicContact CG2-CD1 4.38Å; T170-L235 WeakPolarHBondContact OG1-CD2 3.32Å; T170-R238 PolarHBondContact OG1-NH1 2.91Å
171D88.1Confident87.3Confident42 Ų4240.8 Ų40.823%0.22522%0.216CC..  trans-145.9132.4175.817816.2000111.1I167 T168 S173 W175 R238I167-D171 PolarHBondContact O-N 2.92Å; T168-D171 VanDerWaalsContact O-O 3.09Å; D171-S173 VanDerWaalsContact C-N 3.29Å; D171-S173 PolarHBondContact O-N 3.18Å; D171-S173 WeakPolarHBondContact OD1-CB 3.39Å; D171-S173 PolarHBondContact OD1-N 3Å; D171-S173 PolarHBondContact OD1-OG 3.11Å; D171-S173 WeakPolarHBondContact OD2-CB 3.18Å; D171-S173 PolarHBondContact OD2-OG 3.41Å; D171-W175 PolarHBondContact O-NE1 2.93Å; D171-R238 VanDerWaalsContact CB-NH1 3.33Å; D171-R238 IonicContact OD2-CZ 3.46Å; D171-R238 IonicContact OD2-NH2 3.65Å; D171-R238 PolarHBondContact OD2-NH2 3.21Å
172T86.9Confident86.3Confident6 Ų640.2 Ų40.24%0.03722%0.216CC..G310 helixtrans-79.1-13.1-176.659.20000113.1T174 W175 L178 M189 N190T172-T174 PolarHBondContact O-N 3.11Å; T172-W175 HydrophobicContact CG2-CD2 4.42Å; T172-W175 HydrophobicContact CG2-CE3 3.97Å; T172-W175 HydrophobicContact CG2-CH2 4.32Å; T172-W175 HydrophobicContact CG2-CZ3 3.95Å; T172-W175 WeakPolarHBondContact O-CB 3.48Å; T172-W175 PolarHBondContact O-N 2.7Å; T172-L178 HydrophobicContact CG2-CD1 3.86Å; T172-M189 HydrophobicContact CG2-CB 3.7Å; T172-N190 WeakPolarHBondContact CB-OD1 3.38Å; T172-N190 WeakPolarHBondContact CG2-OD1 3.48Å; T172-N190 PolarHBondContact OG1-OD1 2.96Å
173S83.1Confident85.6Confident72 Ų7244.8 Ų44.850%0.50324%0.237SC..G310 helixtrans-56.7-33.6-178.167.90000113.6D171D171-S173 VanDerWaalsContact C-N 3.29Å; D171-S173 PolarHBondContact O-N 3.18Å; D171-S173 WeakPolarHBondContact OD1-CB 3.39Å; D171-S173 PolarHBondContact OD1-N 3Å; D171-S173 PolarHBondContact OD1-OG 3.11Å; D171-S173 WeakPolarHBondContact OD2-CB 3.18Å; D171-S173 PolarHBondContact OD2-OG 3.41Å
174T81.4Confident85Confident58 Ų5850.5 Ų50.536%0.35627%0.272SS..G310 helixtrans-83.8-10.3-179.362.40000113.2T172 K176T172-T174 PolarHBondContact O-N 3.11Å; T174-K176 PolarHBondContact O-N 2.88Å
175W87.4Confident84.5Confident2 Ų251 Ų511%0.00827%0.272CS..  trans-83104-173.3-63.11.3000111.1M107 V118 W130 T168 F169 D171 T172 I177 L178 M189 C193M107-W175 HydrophobicContact CE-CG 4.29Å; V118-W175 HydrophobicContact CB-CD2 4.45Å; V118-W175 HydrophobicContact CG1-CD2 3.74Å; V118-W175 HydrophobicContact CG1-CE3 3.41Å; V118-W175 VanDerWaalsContact CG1-CE3 3.41Å; V118-W175 HydrophobicContact CG1-CG 4.36Å; V118-W175 HydrophobicContact CG1-CH2 4.29Å; V118-W175 HydrophobicContact CG1-CZ3 3.69Å; V118-W175 HydrophobicContact CG2-CD2 3.92Å; V118-W175 HydrophobicContact CG2-CE3 4.37Å; V118-W175 HydrophobicContact CG2-CG 4.27Å; V118-W175 HydrophobicContact CG2-CZ2 4.12Å; W130-W175 HydrophobicContact CH2-CH2 4.48Å; T168-W175 PolarHBondContact O-NE1 3.21Å; F169-W175 HydrophobicContact CD1-CZ2 4.46Å; D171-W175 PolarHBondContact O-NE1 2.93Å; T172-W175 HydrophobicContact CG2-CD2 4.42Å; T172-W175 HydrophobicContact CG2-CE3 3.97Å; T172-W175 HydrophobicContact CG2-CH2 4.32Å; T172-W175 HydrophobicContact CG2-CZ3 3.95Å; T172-W175 WeakPolarHBondContact O-CB 3.48Å; T172-W175 PolarHBondContact O-N 2.7Å; W175-I177 HydrophobicContact CB-CG2 4.25Å; W175-I177 PolarHBondContact O-N 3.16Å; W175-I177 VanDerWaalsContact O-N 3.07Å; W175-L178 HydrophobicContact CB-CD1 4.14Å; W175-L178 HydrophobicContact CB-CG 4.29Å; W175-L178 HydrophobicContact CD2-CD1 4.37Å; W175-L178 HydrophobicContact CE3-CD1 3.63Å; W175-L178 HydrophobicContact CE3-CG 4.39Å; W175-L178 HydrophobicContact CZ3-CD1 4.44Å; W175-L178 PolarHBondContact O-N 3.23Å; W175-M189 HydrophobicContact CE3-CB 4.35Å; W175-M189 HydrophobicContact CE3-CG 4.47Å; W175-M189 HydrophobicContact CZ3-CB 3.79Å; W175-M189 HydrophobicContact CZ3-CG 4.01Å; W175-M189 HydrophobicContact CZ3-SD 3.92Å; W175-C193 VanDerWaalsContact CH2-SG 3.55Å
176K82.1Confident84.1Confident54 Ų5454.9 Ų54.924%0.23529%0.287CS..G310 helixtrans-54.9-28.4177.2-61.6-176.7-174.7-174.80113D108 W116 T174 L178 R179D108-K176 PolarHBondContact O-NZ 3.38Å; W116-K176 HydrophobicContact CH2-CB 3.64Å; W116-K176 HydrophobicContact CZ2-CB 3.57Å; W116-K176 HydrophobicContact CZ2-CD 4.16Å; W116-K176 HydrophobicContact CZ2-CG 4.48Å; W116-K176 HydrophobicContact CZ3-CB 4.29Å; T174-K176 PolarHBondContact O-N 2.88Å; K176-L178 PolarHBondContact O-N 3.38Å; K176-R179 PolarHBondContact O-N 3.4Å
177I82.2Confident83.7Confident29 Ų2959.3 Ų59.315%0.14932%0.316CS..G310 helixtrans-64-19.9177.7-154.5166.9000114.5W116 V118 L122 W175W116-I177 HydrophobicContact CE3-CB 3.52Å; W116-I177 HydrophobicContact CE3-CD1 4.06Å; W116-I177 HydrophobicContact CE3-CG1 3.82Å; W116-I177 HydrophobicContact CZ3-CB 3.59Å; W116-I177 HydrophobicContact CZ3-CG1 3.86Å; V118-I177 HydrophobicContact CG1-CG2 3.99Å; L122-I177 HydrophobicContact CD1-CD1 3.51Å; L122-I177 HydrophobicContact CD1-CG1 4.22Å; W175-I177 HydrophobicContact CB-CG2 4.25Å; W175-I177 PolarHBondContact O-N 3.16Å; W175-I177 VanDerWaalsContact O-N 3.07Å
178L81.3Confident83.3Confident3 Ų360 Ų602%0.01633%0.328CS..G310 helixtrans-10012.6-178.5-62176.6000113.1T172 W175 K176 G182 L185 R186 M189T172-L178 HydrophobicContact CG2-CD1 3.86Å; W175-L178 HydrophobicContact CB-CD1 4.14Å; W175-L178 HydrophobicContact CB-CG 4.29Å; W175-L178 HydrophobicContact CD2-CD1 4.37Å; W175-L178 HydrophobicContact CE3-CD1 3.63Å; W175-L178 HydrophobicContact CE3-CG 4.39Å; W175-L178 HydrophobicContact CZ3-CD1 4.44Å; W175-L178 PolarHBondContact O-N 3.23Å; K176-L178 PolarHBondContact O-N 3.38Å; L178-G182 WeakPolarHBondContact CD2-O 3.47Å; L178-L185 HydrophobicContact CD2-CB 4.03Å; L178-R186 PolarHBondContact O-NH2 3.24Å; L178-M189 HydrophobicContact CD1-CB 3.97Å; L178-M189 HydrophobicContact CD1-CG 4.1Å; L178-M189 HydrophobicContact CD2-CG 3.99Å
179R80.9Confident83.2Confident172 Ų17260 Ų6065%0.64933%0.327SS*.SBendtrans-89.3144.4171.1-62.3-175.8180-175-0.7110.2K176 K181K176-R179 PolarHBondContact O-N 3.4Å; R179-K181 PolarHBondContact O-N 2.97Å
180G79.6Confident83Confident55 Ų5563.4 Ų63.457%0.56735%0.345SS*.G310 helixtrans66.3-123.517900000113G182 E183G180-G182 PolarHBondContact O-N 2.93Å; G180-G182 VanDerWaalsContact O-N 3.09Å; G180-E183 VanDerWaalsContact O-CB 3.29Å; G180-E183 WeakPolarHBondContact O-CB 3.48Å; G180-E183 PolarHBondContact O-N 3.41Å; G180-E183 VanDerWaalsContact O-N 3.12Å
181K67.3Low82.9Confident208 Ų20869.3 Ų69.390%0.90437%0.372SS*.G310 helixtrans-61.4-19.4-175.9-66.4-175.2179.7-179.20114.6R179 E183R179-K181 PolarHBondContact O-N 2.97Å; K181-E183 VanDerWaalsContact C-N 3.34Å
182G72.2Confident83Confident12 Ų1268.3 Ų68.312%0.12437%0.366CS..G310 helixtrans-83.3-3.7178.200000114.8L178 G180 T184 L185L178-G182 WeakPolarHBondContact CD2-O 3.47Å; G180-G182 PolarHBondContact O-N 2.93Å; G180-G182 VanDerWaalsContact O-N 3.09Å; G182-T184 VanDerWaalsContact C-N 3.26Å; G182-T184 PolarHBondContact O-N 3.48Å; G182-L185 WeakPolarHBondContact O-CB 3.48Å; G182-L185 PolarHBondContact O-N 3.4Å; G182-L185 VanDerWaalsContact O-N 3.09Å
183E80.3Confident83.1Confident100 Ų10068.3 Ų68.347%0.46737%0.366SS..G310 helixtrans-65.3-28.6-175.4-168.8150.6-135.200113G180 K181 L185 R186G180-E183 VanDerWaalsContact O-CB 3.29Å; G180-E183 WeakPolarHBondContact O-CB 3.48Å; G180-E183 PolarHBondContact O-N 3.41Å; G180-E183 VanDerWaalsContact O-N 3.12Å; K181-E183 VanDerWaalsContact C-N 3.34Å; E183-L185 PolarHBondContact O-N 3.15Å; E183-R186 WeakPolarHBondContact O-CB 3.29Å; E183-R186 PolarHBondContact O-N 3.27Å; E183-R186 VanDerWaalsContact O-N 3.1Å; E183-R186 IonicContact OE1-CZ 3.02Å; E183-R186 IonicContact OE1-NH1 3.95Å; E183-R186 PolarHBondContact OE1-NH1 3.24Å; E183-R186 IonicContact OE1-NH2 2.63Å; E183-R186 PolarHBondContact OE1-NH2 3.34Å
184T82.4Confident83.4Confident122 Ų12267.5 Ų67.575%0.74836%0.363SS*.G310 helixtrans-62.3-23.617455.50000113.4G182G182-T184 VanDerWaalsContact C-N 3.26Å; G182-T184 PolarHBondContact O-N 3.48Å
185L82.8Confident83.8Confident73 Ų7368.3 Ų68.338%0.38237%0.366SS..G310 helixtrans-88.1-8.8179-61171.2000112.8L122 L178 G182 E183 P187 A188 M189L122-L185 HydrophobicContact CD1-CD1 4.49Å; L122-L185 HydrophobicContact CD2-CD1 4.01Å; L178-L185 HydrophobicContact CD2-CB 4.03Å; G182-L185 WeakPolarHBondContact O-CB 3.48Å; G182-L185 PolarHBondContact O-N 3.4Å; G182-L185 VanDerWaalsContact O-N 3.09Å; E183-L185 PolarHBondContact O-N 3.15Å; L185-P187 VanDerWaalsContact C-CD 3.5Å; L185-A188 PolarHBondContact O-N 2.98Å; L185-M189 WeakPolarHBondContact O-CG 3.09Å; L185-M189 PolarHBondContact O-N 3.05Å
186R86.3Confident84.1Confident81 Ų8168.2 Ų68.231%0.30637%0.365SS..Hα-helixtrans-56.8-41.3-176.1-169.1176.1-67.81548.8113.5L178 E183 A188 M189 N190L178-R186 PolarHBondContact O-NH2 3.24Å; E183-R186 WeakPolarHBondContact O-CB 3.29Å; E183-R186 PolarHBondContact O-N 3.27Å; E183-R186 VanDerWaalsContact O-N 3.1Å; E183-R186 IonicContact OE1-CZ 3.02Å; E183-R186 IonicContact OE1-NH1 3.95Å; E183-R186 PolarHBondContact OE1-NH1 3.24Å; E183-R186 IonicContact OE1-NH2 2.63Å; E183-R186 PolarHBondContact OE1-NH2 3.34Å; R186-A188 PolarHBondContact O-N 3.14Å; R186-M189 PolarHBondContact O-N 3.07Å; R186-N190 WeakPolarHBondContact O-CB 3.42Å; R186-N190 VanDerWaalsContact O-CG 3.23Å; R186-N190 PolarHBondContact O-N 2.87Å; R186-N190 PolarHBondContact O-ND2 3.08Å
187P86.3Confident84.5Confident93 Ų9366.2 Ų66.260%0.60436%0.357SS*.Hα-helixtrans-61.2-43.8177.3-2435000113.3L185 N190 H191L185-P187 VanDerWaalsContact C-CD 3.5Å; P187-N190 PolarHBondContact O-N 3.23Å; P187-H191 PolarHBondContact O-N 3.33Å; P187-H191 VanDerWaalsContact O-N 3.08Å
188A85.6Confident84.9Confident55 Ų5566.2 Ų66.246%0.45536%0.364SS..Hα-helixtrans-66.2-41.2178.300000111.7L185 R186 H191 I192L185-A188 PolarHBondContact O-N 2.98Å; R186-A188 PolarHBondContact O-N 3.14Å; A188-H191 WeakPolarHBondContact O-CB 3.39Å; A188-H191 PolarHBondContact O-N 2.87Å; A188-I192 PolarHBondContact O-N 3.07Å; A188-I192 VanDerWaalsContact O-N 3.12Å
189M88.4Confident85.4Confident14 Ų1468 Ų687%0.06937%0.372CS..Hα-helixtrans-67.6-36.1176.5-67.5-57.4118.400112.7L122 T172 W175 L178 L185 R186 H191 I192 C193L122-M189 HydrophobicContact CD2-CE 3.68Å; L122-M189 HydrophobicContact CD2-SD 4.22Å; T172-M189 HydrophobicContact CG2-CB 3.7Å; W175-M189 HydrophobicContact CE3-CB 4.35Å; W175-M189 HydrophobicContact CE3-CG 4.47Å; W175-M189 HydrophobicContact CZ3-CB 3.79Å; W175-M189 HydrophobicContact CZ3-CG 4.01Å; W175-M189 HydrophobicContact CZ3-SD 3.92Å; L178-M189 HydrophobicContact CD1-CB 3.97Å; L178-M189 HydrophobicContact CD1-CG 4.1Å; L178-M189 HydrophobicContact CD2-CG 3.99Å; L185-M189 WeakPolarHBondContact O-CG 3.09Å; L185-M189 PolarHBondContact O-N 3.05Å; R186-M189 PolarHBondContact O-N 3.07Å; M189-H191 VanDerWaalsContact C-N 3.32Å; M189-H191 PolarHBondContact O-N 3.43Å; M189-I192 HydrophobicContact CE-CD1 3.78Å; M189-I192 PolarHBondContact O-N 2.91Å; M189-I192 HydrophobicContact SD-CD1 4Å; M189-C193 PolarHBondContact O-N 3.3Å; M189-C193 PolarHBondContact O-SG 3.33Å; M189-C193 VanDerWaalsContact O-SG 3.32Å
190N88.3Confident86Confident71 Ų7159.8 Ų59.838%0.3834%0.341SS..Hα-helixtrans-62.2-39.9172.3-77.1-16000111.5T172 R186 P187 I192 C193 A194T172-N190 WeakPolarHBondContact CB-OD1 3.38Å; T172-N190 WeakPolarHBondContact CG2-OD1 3.48Å; T172-N190 PolarHBondContact OG1-OD1 2.96Å; R186-N190 WeakPolarHBondContact O-CB 3.42Å; R186-N190 VanDerWaalsContact O-CG 3.23Å; R186-N190 PolarHBondContact O-N 2.87Å; R186-N190 PolarHBondContact O-ND2 3.08Å; P187-N190 PolarHBondContact O-N 3.23Å; N190-I192 VanDerWaalsContact C-N 3.33Å; N190-I192 PolarHBondContact O-N 3.07Å; N190-C193 PolarHBondContact O-N 3.3Å; N190-A194 WeakPolarHBondContact O-CB 3.49Å; N190-A194 PolarHBondContact O-N 3.21Å
191H88.1Confident86.6Confident134 Ų13458.8 Ų58.862%0.6232%0.323SS*.Hα-helixtrans-63.8-38.1174.7-172.5-84.8000112.1P187 A188 M189 A194 N195P187-H191 PolarHBondContact O-N 3.33Å; P187-H191 VanDerWaalsContact O-N 3.08Å; A188-H191 WeakPolarHBondContact O-CB 3.39Å; A188-H191 PolarHBondContact O-N 2.87Å; M189-H191 VanDerWaalsContact C-N 3.32Å; M189-H191 PolarHBondContact O-N 3.43Å; H191-A194 PolarHBondContact O-N 3.19Å; H191-N195 WeakPolarHBondContact O-CB 3.22Å; H191-N195 PolarHBondContact O-N 2.92Å
192I89.6Confident87.7Confident21 Ų2157 Ų5711%0.10832%0.318CS..Hα-helixtrans-63.1-45.8172.9-66.5171.7000110.8W130 I131 A188 M189 N190 A194 N195 I196W130-I192 HydrophobicContact CZ3-CG2 4.23Å; I131-I192 HydrophobicContact CD1-CD1 4.34Å; I131-I192 HydrophobicContact CD1-CG1 4.25Å; I131-I192 HydrophobicContact CD1-CG2 4.15Å; I131-I192 HydrophobicContact CG1-CG2 3.98Å; A188-I192 PolarHBondContact O-N 3.07Å; A188-I192 VanDerWaalsContact O-N 3.12Å; M189-I192 HydrophobicContact CE-CD1 3.78Å; M189-I192 PolarHBondContact O-N 2.91Å; M189-I192 HydrophobicContact SD-CD1 4Å; N190-I192 VanDerWaalsContact C-N 3.33Å; N190-I192 PolarHBondContact O-N 3.07Å; I192-A194 VanDerWaalsContact C-N 3.33Å; I192-A194 PolarHBondContact O-N 3.43Å; I192-N195 WeakPolarHBondContact O-CB 3.33Å; I192-N195 PolarHBondContact O-N 2.94Å; I192-I196 HydrophobicContact CG2-CD1 3.81Å; I192-I196 HydrophobicContact CG2-CG1 4.42Å; I192-I196 WeakPolarHBondContact O-CG1 3.5Å; I192-I196 PolarHBondContact O-N 2.85Å
193C90.5Very high88.6Confident6 Ų660.4 Ų60.44%0.04133%0.329CS..Hα-helixtrans-60.1-42.2176.4-66.70000111.8W175 M189 N190 N195 I196 M197W175-C193 VanDerWaalsContact CH2-SG 3.55Å; M189-C193 PolarHBondContact O-N 3.3Å; M189-C193 PolarHBondContact O-SG 3.33Å; M189-C193 VanDerWaalsContact O-SG 3.32Å; N190-C193 PolarHBondContact O-N 3.3Å; C193-N195 VanDerWaalsContact C-N 3.35Å; C193-N195 PolarHBondContact O-N 3Å; C193-I196 PolarHBondContact O-N 3.34Å; C193-M197 WeakPolarHBondContact O-CB 3.42Å; C193-M197 PolarHBondContact O-N 3.05Å
194A87.7Confident89.2Confident54 Ų5457 Ų5745%0.44632%0.321SS..Hα-helixtrans-62.3-40.3174.900000112.1N190 H191 I192 M197 G198N190-A194 WeakPolarHBondContact O-CB 3.49Å; N190-A194 PolarHBondContact O-N 3.21Å; H191-A194 PolarHBondContact O-N 3.19Å; I192-A194 VanDerWaalsContact C-N 3.33Å; I192-A194 PolarHBondContact O-N 3.43Å; A194-M197 PolarHBondContact O-N 2.9Å; A194-G198 PolarHBondContact O-N 3.49Å
195N91.1Very high89.7Confident75 Ų7551.1 Ų51.140%0.40129%0.285SS..Hα-helixtrans-65.2-42.9175.8-172.7-47.5000112.1K135 H191 I192 C193 G198 H199K135-N195 VanDerWaalsContact CE-OD1 3.22Å; K135-N195 WeakPolarHBondContact CE-OD1 3.42Å; K135-N195 PolarHBondContact NZ-OD1 3.45Å; H191-N195 WeakPolarHBondContact O-CB 3.22Å; H191-N195 PolarHBondContact O-N 2.92Å; I192-N195 WeakPolarHBondContact O-CB 3.33Å; I192-N195 PolarHBondContact O-N 2.94Å; C193-N195 VanDerWaalsContact C-N 3.35Å; C193-N195 PolarHBondContact O-N 3Å; N195-G198 PolarHBondContact O-N 3.11Å; N195-H199 PolarHBondContact O-N 3.31Å
196I92.5Very high90.3Very high0 Ų048.1 Ų48.10%027%0.269CS..Hα-helixtrans-60.7-48174-68.8164.9000110I134 K135 L138 T170 I192 C193 G198 H199 L200I134-I196 HydrophobicContact CG2-CD1 3.79Å; I134-I196 HydrophobicContact CG2-CG1 4.47Å; I134-I196 HydrophobicContact CG2-CG2 4.46Å; K135-I196 HydrophobicContact CG-CG1 4.26Å; L138-I196 HydrophobicContact CD1-CG2 3.52Å; T170-I196 HydrophobicContact CG2-CG2 4.45Å; I192-I196 HydrophobicContact CG2-CD1 3.81Å; I192-I196 HydrophobicContact CG2-CG1 4.42Å; I192-I196 WeakPolarHBondContact O-CG1 3.5Å; I192-I196 PolarHBondContact O-N 2.85Å; C193-I196 PolarHBondContact O-N 3.34Å; I196-G198 PolarHBondContact O-N 3.33Å; I196-H199 WeakPolarHBondContact O-CB 3.44Å; I196-H199 PolarHBondContact O-N 3.06Å; I196-H199 VanDerWaalsContact O-N 3.16Å; I196-L200 HydrophobicContact CG2-CD1 4.44Å; I196-L200 WeakPolarHBondContact O-CG 3.32Å; I196-L200 PolarHBondContact O-N 3.48Å
197M90.9Very high90.6Very high13 Ų1346.5 Ų46.56%0.06427%0.269CS..Hα-helixtrans-62.4-42.3179.1-168.763.783.800112.2T170 C193 A194 H199 L200 N201 F205 L235 R238 P239T170-M197 VanDerWaalsContact CB-CE 3.43Å; T170-M197 HydrophobicContact CG2-CE 3.6Å; T170-M197 HydrophobicContact CG2-SD 4.33Å; C193-M197 WeakPolarHBondContact O-CB 3.42Å; C193-M197 PolarHBondContact O-N 3.05Å; A194-M197 PolarHBondContact O-N 2.9Å; M197-H199 VanDerWaalsContact C-N 3.29Å; M197-H199 PolarHBondContact O-N 3.3Å; M197-L200 PolarHBondContact O-N 2.96Å; M197-N201 PolarHBondContact O-N 3.21Å; M197-N201 PolarHBondContact O-ND2 3.39Å; M197-F205 HydrophobicContact SD-CE1 4.3Å; M197-L235 HydrophobicContact CE-CD2 4.3Å; M197-R238 HydrophobicContact CE-CB 4.31Å; M197-P239 HydrophobicContact CG-CB 4.19Å; M197-P239 HydrophobicContact CG-CG 3.66Å; M197-P239 HydrophobicContact SD-CG 3.95Å
198G90.1Very high91Very high29 Ų2942 Ų4230%0.29924%0.241SC..Hα-helixtrans-58.5-40.3173.900000112.6A194 N195 I196 N201 Q202A194-G198 PolarHBondContact O-N 3.49Å; N195-G198 PolarHBondContact O-N 3.11Å; I196-G198 PolarHBondContact O-N 3.33Å; G198-N201 PolarHBondContact O-N 3.16Å; G198-Q202 WeakPolarHBondContact O-CG 3.34Å; G198-Q202 PolarHBondContact O-N 3.46Å
199H92.9Very high91.4Very high39 Ų3939.4 Ų39.418%0.18122%0.219CC..Hα-helixtrans-64.1-43.3174.8-178.772.5000112.8K135 N195 I196 M197 Q202 K203K135-H199 HydrophobicContact CD-CB 3.92Å; K135-H199 HydrophobicContact CG-CB 4.17Å; N195-H199 PolarHBondContact O-N 3.31Å; I196-H199 WeakPolarHBondContact O-CB 3.44Å; I196-H199 PolarHBondContact O-N 3.06Å; I196-H199 VanDerWaalsContact O-N 3.16Å; M197-H199 VanDerWaalsContact C-N 3.29Å; M197-H199 PolarHBondContact O-N 3.3Å; H199-Q202 PolarHBondContact O-N 3.38Å; H199-K203 VanDerWaalsContact NE2-CE 3.35Å; H199-K203 WeakPolarHBondContact NE2-CE 3.28Å; H199-K203 PolarHBondContact NE2-NZ 3.03Å; H199-K203 PolarHBondContact O-N 2.91Å
200L93.4Very high91.6Very high0 Ų040.7 Ų40.70%023%0.225CC..Hα-helixtrans-62.6-44.1176.9-64.9175.6000110.9L138 W139 L166 T170 I196 M197 Q202 K203 G204 F205L138-L200 HydrophobicContact CB-CD1 4.27Å; L138-L200 HydrophobicContact CB-CD2 4.03Å; L138-L200 HydrophobicContact CD1-CD1 4.38Å; W139-L200 HydrophobicContact CB-CD2 4.28Å; W139-L200 HydrophobicContact CE3-CD2 4.25Å; L166-L200 HydrophobicContact CD2-CD1 3.88Å; T170-L200 HydrophobicContact CG2-CD1 4.38Å; I196-L200 HydrophobicContact CG2-CD1 4.44Å; I196-L200 WeakPolarHBondContact O-CG 3.32Å; I196-L200 PolarHBondContact O-N 3.48Å; M197-L200 PolarHBondContact O-N 2.96Å; L200-Q202 PolarHBondContact O-N 2.87Å; L200-K203 PolarHBondContact O-N 3.34Å; L200-K203 VanDerWaalsContact O-N 3.15Å; L200-G204 PolarHBondContact O-N 3.05Å; L200-F205 HydrophobicContact CB-CB 4.09Å; L200-F205 HydrophobicContact CB-CD2 4.46Å; L200-F205 HydrophobicContact CB-CG 4.29Å; L200-F205 WeakPolarHBondContact O-CB 3.27Å; L200-F205 PolarHBondContact O-N 3.38Å; L200-F205 VanDerWaalsContact O-N 3.09Å
201N91.1Very high91.7Very high34 Ų3440.1 Ų40.118%0.18222%0.221CC..Hα-helixtrans-60.8-44.6178.1-71.9-19.8000112.3M197 G198 K203 G204 F205 P239M197-N201 PolarHBondContact O-N 3.21Å; M197-N201 PolarHBondContact O-ND2 3.39Å; G198-N201 PolarHBondContact O-N 3.16Å; N201-K203 PolarHBondContact O-N 2.7Å; N201-G204 PolarHBondContact O-N 3.44Å; N201-F205 WeakPolarHBondContact OD1-CD1 3.38Å; N201-P239 VanDerWaalsContact ND2-CB 3.31Å; N201-P239 WeakPolarHBondContact ND2-CB 3.48Å
202Q91Very high91.9Very high170 Ų17033.7 Ų33.779%0.79419%0.191SC*.Hα-helixtrans-59.9-30.3176.2-74.9173.1100113.2G198 H199 L200 G204G198-Q202 WeakPolarHBondContact O-CG 3.34Å; G198-Q202 PolarHBondContact O-N 3.46Å; H199-Q202 PolarHBondContact O-N 3.38Å; L200-Q202 PolarHBondContact O-N 2.87Å; Q202-G204 VanDerWaalsContact C-N 3.35Å
203K92.1Very high92Very high84 Ų8432.8 Ų32.837%0.36519%0.187SC..THydrogen-bonded Turntrans-84.5-3.6176.4-73.8-167.3168.6174.50114.3W139 H199 L200 N201W139-K203 HydrophobicContact CB-CD 4.45Å; W139-K203 HydrophobicContact CD2-CB 3.93Å; W139-K203 HydrophobicContact CD2-CD 3.49Å; W139-K203 VanDerWaalsContact CD2-CD 3.49Å; W139-K203 HydrophobicContact CD2-CG 4.38Å; W139-K203 HydrophobicContact CE3-CB 3.55Å; W139-K203 HydrophobicContact CE3-CD 3.9Å; W139-K203 HydrophobicContact CE3-CG 4.38Å; W139-K203 HydrophobicContact CG-CD 3.7Å; W139-K203 HydrophobicContact CH2-CB 3.59Å; W139-K203 WeakPolarHBondContact CH2-O 3.38Å; W139-K203 HydrophobicContact CZ2-CB 3.92Å; W139-K203 HydrophobicContact CZ2-CD 4.37Å; W139-K203 HydrophobicContact CZ3-CB 3.37Å; H199-K203 VanDerWaalsContact NE2-CE 3.35Å; H199-K203 WeakPolarHBondContact NE2-CE 3.28Å; H199-K203 PolarHBondContact NE2-NZ 3.03Å; H199-K203 PolarHBondContact O-N 2.91Å; L200-K203 PolarHBondContact O-N 3.34Å; L200-K203 VanDerWaalsContact O-N 3.15Å; N201-K203 PolarHBondContact O-N 2.7Å
204G91.3Very high92Very high28 Ų2833.5 Ų33.529%0.28919%0.191SC..THydrogen-bonded Turntrans99.535.517800000114.7L200 N201 Q202 Y206 S207 V208L200-G204 PolarHBondContact O-N 3.05Å; N201-G204 PolarHBondContact O-N 3.44Å; Q202-G204 VanDerWaalsContact C-N 3.35Å; G204-Y206 VanDerWaalsContact C-N 3.32Å; G204-Y206 PolarHBondContact O-N 2.93Å; G204-S207 WeakPolarHBondContact O-CB 3.5Å; G204-S207 PolarHBondContact O-N 2.98Å; G204-S207 VanDerWaalsContact O-N 3.16Å; G204-V208 PolarHBondContact O-N 3.07Å
205F94.3Very high92Very high0 Ų033.6 Ų33.60%018%0.184CC..Hα-helixtrans-51.7-44.1177.6-178.7-122.3000114.3L166 M197 L200 N201 S207 V208 L209 L235L166-F205 HydrophobicContact CD1-CE2 4.14Å; L166-F205 HydrophobicContact CD2-CE2 4.38Å; M197-F205 HydrophobicContact SD-CE1 4.3Å; L200-F205 HydrophobicContact CB-CB 4.09Å; L200-F205 HydrophobicContact CB-CD2 4.46Å; L200-F205 HydrophobicContact CB-CG 4.29Å; L200-F205 WeakPolarHBondContact O-CB 3.27Å; L200-F205 PolarHBondContact O-N 3.38Å; L200-F205 VanDerWaalsContact O-N 3.09Å; N201-F205 WeakPolarHBondContact OD1-CD1 3.38Å; F205-S207 VanDerWaalsContact C-N 3.31Å; F205-S207 PolarHBondContact O-N 3Å; F205-V208 VanDerWaalsContact O-CB 3.28Å; F205-V208 WeakPolarHBondContact O-CB 3.31Å; F205-V208 PolarHBondContact O-N 2.83Å; F205-V208 VanDerWaalsContact O-N 3.08Å; F205-L209 HydrophobicContact CD1-CD1 4.19Å; F205-L209 HydrophobicContact CE1-CD1 3.62Å; F205-L209 HydrophobicContact CE1-CD2 4.47Å; F205-L209 HydrophobicContact CE1-CG 4.14Å; F205-L209 HydrophobicContact CE2-CD1 4.5Å; F205-L209 HydrophobicContact CE2-CD2 3.93Å; F205-L209 HydrophobicContact CE2-CG 4.19Å; F205-L209 HydrophobicContact CZ-CD1 3.79Å; F205-L209 HydrophobicContact CZ-CD2 3.81Å; F205-L209 HydrophobicContact CZ-CG 3.96Å; F205-L209 PolarHBondContact O-N 3.43Å; F205-L209 VanDerWaalsContact O-N 3.11Å; F205-L235 HydrophobicContact CE1-CB 4.26Å; F205-L235 HydrophobicContact CZ-CB 3.95Å; F205-L235 HydrophobicContact CZ-CD1 4.45Å
206Y94Very high91.7Very high10 Ų1030 Ų304%0.03917%0.165CC..Hα-helixtrans-62-36.8179.5-79-79.4000113.3G204 V208 L209 Q210 A236 V240 L249 F253 H256 V257G204-Y206 VanDerWaalsContact C-N 3.32Å; G204-Y206 PolarHBondContact O-N 2.93Å; Y206-V208 VanDerWaalsContact C-N 3.3Å; Y206-V208 PolarHBondContact O-N 3.02Å; Y206-L209 PolarHBondContact O-N 3.19Å; Y206-Q210 PolarHBondContact O-N 2.82Å; Y206-A236 HydrophobicContact CE1-CB 4.39Å; Y206-A236 PolarHBondContact OH-O 3.27Å; Y206-A236 VanDerWaalsContact OH-O 3.07Å; Y206-V240 VanDerWaalsContact OH-CG2 3.3Å; Y206-V240 WeakPolarHBondContact OH-CG2 3.43Å; Y206-L249 HydrophobicContact CE2-CD2 4.13Å; Y206-F253 HydrophobicContact CE1-CB 4.4Å; Y206-F253 HydrophobicContact CE1-CD2 4.17Å; Y206-H256 VanDerWaalsContact CB-CD2 3.44Å; Y206-H256 WeakPolarHBondContact CB-CD2 3.41Å; Y206-H256 HydrophobicContact CD1-CB 4.39Å; Y206-V257 HydrophobicContact CD1-CG2 4.19Å; Y206-V257 HydrophobicContact CE1-CG2 4.43Å
207S93.9Very high91.4Very high46 Ų4630 Ų3032%0.32217%0.165SC..Hα-helixtrans-63.9-35.9174.8173.10000111.8G204 F205 Q210 I211G204-S207 WeakPolarHBondContact O-CB 3.5Å; G204-S207 PolarHBondContact O-N 2.98Å; G204-S207 VanDerWaalsContact O-N 3.16Å; F205-S207 VanDerWaalsContact C-N 3.31Å; F205-S207 PolarHBondContact O-N 3Å; S207-Q210 PolarHBondContact O-N 3.07Å; S207-I211 WeakPolarHBondContact O-CG1 3.46Å; S207-I211 PolarHBondContact O-N 3.5Å; S207-I211 VanDerWaalsContact O-N 3.12Å
208V93.9Very high91Very high0 Ų029.9 Ų29.90%017%0.166CC..Hα-helixtrans-61.8-47.7173.11790000110.4W139 C142 L145 K146 G204 F205 Y206 Q210 I211 L212W139-V208 HydrophobicContact CH2-CG2 4.47Å; W139-V208 HydrophobicContact CZ3-CG2 4.47Å; C142-V208 HydrophobicContact CB-CB 4.42Å; C142-V208 HydrophobicContact CB-CG1 4.02Å; C142-V208 HydrophobicContact CB-CG2 3.84Å; C142-V208 WeakPolarHBondContact O-CG1 3.34Å; L145-V208 HydrophobicContact CB-CG1 3.86Å; K146-V208 HydrophobicContact CD-CG2 4.32Å; K146-V208 HydrophobicContact CG-CB 4.37Å; K146-V208 HydrophobicContact CG-CG1 4.11Å; K146-V208 HydrophobicContact CG-CG2 4.11Å; G204-V208 PolarHBondContact O-N 3.07Å; F205-V208 VanDerWaalsContact O-CB 3.28Å; F205-V208 WeakPolarHBondContact O-CB 3.31Å; F205-V208 PolarHBondContact O-N 2.83Å; F205-V208 VanDerWaalsContact O-N 3.08Å; Y206-V208 VanDerWaalsContact C-N 3.3Å; Y206-V208 PolarHBondContact O-N 3.02Å; V208-Q210 VanDerWaalsContact C-N 3.32Å; V208-Q210 PolarHBondContact O-N 3.05Å; V208-I211 PolarHBondContact O-N 3.41Å; V208-L212 PolarHBondContact O-N 3.48Å; V208-L212 VanDerWaalsContact O-N 3.08Å
209L93.7Very high90.6Very high0 Ų031.1 Ų31.10%016%0.161CC..Hα-helixtrans-62.8-40.7179.8-62.4-171.6000111.5F205 Y206 I211 L212 L213 V232 A236F205-L209 HydrophobicContact CD1-CD1 4.19Å; F205-L209 HydrophobicContact CE1-CD1 3.62Å; F205-L209 HydrophobicContact CE1-CD2 4.47Å; F205-L209 HydrophobicContact CE1-CG 4.14Å; F205-L209 HydrophobicContact CE2-CD1 4.5Å; F205-L209 HydrophobicContact CE2-CD2 3.93Å; F205-L209 HydrophobicContact CE2-CG 4.19Å; F205-L209 HydrophobicContact CZ-CD1 3.79Å; F205-L209 HydrophobicContact CZ-CD2 3.81Å; F205-L209 HydrophobicContact CZ-CG 3.96Å; F205-L209 PolarHBondContact O-N 3.43Å; F205-L209 VanDerWaalsContact O-N 3.11Å; Y206-L209 PolarHBondContact O-N 3.19Å; L209-I211 PolarHBondContact O-N 2.95Å; L209-L212 PolarHBondContact O-N 2.9Å; L209-L213 VanDerWaalsContact O-CB 3.29Å; L209-L213 WeakPolarHBondContact O-CB 3.02Å; L209-L213 WeakPolarHBondContact O-CG 3.37Å; L209-L213 PolarHBondContact O-N 3.12Å; L209-V232 HydrophobicContact CB-CG1 4.42Å; L209-V232 HydrophobicContact CD1-CG1 4.44Å; L209-V232 HydrophobicContact CD2-CG1 4.14Å; L209-A236 HydrophobicContact CD1-CB 3.82Å
210Q92.8Very high89.5Confident40 Ų4033.1 Ų33.119%0.18718%0.18CC..Hα-helixtrans-57.7-49.3175.6-172.5-177.311.100111.4Y206 S207 V208 L212 L213 T214 H256Y206-Q210 PolarHBondContact O-N 2.82Å; S207-Q210 PolarHBondContact O-N 3.07Å; V208-Q210 VanDerWaalsContact C-N 3.32Å; V208-Q210 PolarHBondContact O-N 3.05Å; Q210-L212 VanDerWaalsContact C-N 3.34Å; Q210-L212 PolarHBondContact O-N 3.1Å; Q210-L213 PolarHBondContact O-N 3.31Å; Q210-T214 VanDerWaalsContact O-CB 3.32Å; Q210-T214 WeakPolarHBondContact O-CB 3.24Å; Q210-T214 PolarHBondContact O-N 3.03Å; Q210-T214 PolarHBondContact O-OG1 3.41Å; Q210-H256 WeakPolarHBondContact CA-O 3.23Å; Q210-H256 HydrophobicContact CB-CB 4.08Å; Q210-H256 VanDerWaalsContact CB-O 3.3Å; Q210-H256 WeakPolarHBondContact CB-O 3.1Å; Q210-H256 WeakPolarHBondContact CG-O 3.49Å; Q210-H256 PolarHBondContact OE1-ND1 3.44Å
211I91.5Very high88.6Confident59 Ų5943 Ų4330%0.30322%0.217SC..Hα-helixtrans-60-45.8179.4-67.3164.6000110.6K146 S207 V208 L209 T214 N215K146-I211 HydrophobicContact CD-CD1 4.41Å; K146-I211 HydrophobicContact CG-CD1 4.12Å; S207-I211 WeakPolarHBondContact O-CG1 3.46Å; S207-I211 PolarHBondContact O-N 3.5Å; S207-I211 VanDerWaalsContact O-N 3.12Å; V208-I211 PolarHBondContact O-N 3.41Å; L209-I211 PolarHBondContact O-N 2.95Å; I211-T214 PolarHBondContact O-N 3.2Å; I211-N215 WeakPolarHBondContact O-CB 3.36Å; I211-N215 PolarHBondContact O-N 2.87Å; I211-N215 PolarHBondContact O-ND2 3.42Å
212L92.3Very high88.1Confident0 Ų044 Ų440%023%0.225CC..Hα-helixtrans-62.8-44.6179.3-179.265000112.1L145 P150 V159 L163 V208 L209 Q210 G216 V232L145-L212 HydrophobicContact CD2-CD1 4.41Å; L145-L212 HydrophobicContact CD2-CD2 4.08Å; P150-L212 HydrophobicContact CG-CD1 4.01Å; V159-L212 HydrophobicContact CG1-CD1 4.01Å; V159-L212 HydrophobicContact CG1-CD2 4.29Å; V159-L212 HydrophobicContact CG2-CD1 3.99Å; L163-L212 HydrophobicContact CD1-CD2 4.34Å; L163-L212 HydrophobicContact CD2-CD2 4.14Å; V208-L212 PolarHBondContact O-N 3.48Å; V208-L212 VanDerWaalsContact O-N 3.08Å; L209-L212 PolarHBondContact O-N 2.9Å; Q210-L212 VanDerWaalsContact C-N 3.34Å; Q210-L212 PolarHBondContact O-N 3.1Å; L212-G216 PolarHBondContact O-N 2.87Å; L212-V232 HydrophobicContact CD2-CG2 3.77Å
213L91.8Very high87.8Confident2 Ų237.1 Ų37.11%0.0120%0.196CC..Hα-helixtrans-66.4-45.3179-73.5170.7000111.5L209 Q210 G216 F217 L224 L229 V232 V257 V260 I263L209-L213 VanDerWaalsContact O-CB 3.29Å; L209-L213 WeakPolarHBondContact O-CB 3.02Å; L209-L213 WeakPolarHBondContact O-CG 3.37Å; L209-L213 PolarHBondContact O-N 3.12Å; Q210-L213 PolarHBondContact O-N 3.31Å; L213-G216 CarbonylContact O-C 3.46Å; L213-G216 WeakPolarHBondContact O-CA 3.17Å; L213-G216 PolarHBondContact O-N 2.88Å; L213-G216 VanDerWaalsContact O-N 3.08Å; L213-F217 HydrophobicContact CB-CD2 4.41Å; L213-F217 HydrophobicContact CD2-CD2 4.03Å; L213-F217 HydrophobicContact CD2-CE2 3.59Å; L213-F217 WeakPolarHBondContact O-CB 3.36Å; L213-F217 WeakPolarHBondContact O-CD2 3.33Å; L213-F217 PolarHBondContact O-N 3.04Å; L213-L224 HydrophobicContact CD2-CD1 4.28Å; L213-L229 HydrophobicContact CD2-CD1 4.29Å; L213-V232 HydrophobicContact CD1-CG1 3.9Å; L213-V232 HydrophobicContact CD2-CB 4.43Å; L213-V232 HydrophobicContact CD2-CG1 3.68Å; L213-V232 HydrophobicContact CG-CG1 3.8Å; L213-V257 HydrophobicContact CD1-CG1 4.24Å; L213-V260 HydrophobicContact CB-CB 4.44Å; L213-V260 HydrophobicContact CB-CG1 3.94Å; L213-V260 HydrophobicContact CB-CG2 3.75Å; L213-V260 HydrophobicContact CD1-CG2 4.04Å; L213-I263 HydrophobicContact CD2-CD1 4.06Å
214T89.3Confident87.6Confident21 Ų2133.5 Ų33.513%0.12918%0.18CC..Hα-helixtrans-62-47.6176.9-63.30000110.9Q210 I211 G216 F217 A218Q210-T214 VanDerWaalsContact O-CB 3.32Å; Q210-T214 WeakPolarHBondContact O-CB 3.24Å; Q210-T214 PolarHBondContact O-N 3.03Å; Q210-T214 PolarHBondContact O-OG1 3.41Å; I211-T214 PolarHBondContact O-N 3.2Å; T214-G216 PolarHBondContact O-N 3.36Å; T214-F217 PolarHBondContact O-N 3.15Å; T214-A218 HydrophobicContact CG2-CB 3.99Å; T214-A218 WeakPolarHBondContact O-CB 3.32Å; T214-A218 PolarHBondContact O-N 2.79Å
215N87.6Confident87.4Confident55 Ų5534.3 Ų34.329%0.29418%0.182SC..Hα-helixtrans-59.3-33.5173.7-71.4-13.4000111.5I211 R219I211-N215 WeakPolarHBondContact O-CB 3.36Å; I211-N215 PolarHBondContact O-N 2.87Å; I211-N215 PolarHBondContact O-ND2 3.42Å; N215-R219 VanDerWaalsContact O-CZ 3.28Å; N215-R219 PolarHBondContact O-NE 3.04Å; N215-R219 VanDerWaalsContact O-NE 3.11Å; N215-R219 PolarHBondContact O-NH2 3.42Å
216G86.3Confident87.2Confident0 Ų039.2 Ų39.20%020%0.203CC..Hα-helixtrans-71.9-40.5178.800000115.1L212 L213 T214 R219 S223L212-G216 PolarHBondContact O-N 2.87Å; L213-G216 CarbonylContact O-C 3.46Å; L213-G216 WeakPolarHBondContact O-CA 3.17Å; L213-G216 PolarHBondContact O-N 2.88Å; L213-G216 VanDerWaalsContact O-N 3.08Å; T214-G216 PolarHBondContact O-N 3.36Å; G216-R219 WeakPolarHBondContact O-CD 3.32Å; G216-S223 WeakPolarHBondContact CA-OG 3.28Å; G216-S223 PolarHBondContact O-N 2.88Å; G216-S223 PolarHBondContact O-OG 2.97Å
217F86.3Confident86.8Confident0 Ų041 Ų410%022%0.224CC..Hα-helixtrans-120.6-18.1-162.9-64.9-53.2000116.1L213 T214 R219 P222 L224 L229 V260 I263 H266 L270L213-F217 HydrophobicContact CB-CD2 4.41Å; L213-F217 HydrophobicContact CD2-CD2 4.03Å; L213-F217 HydrophobicContact CD2-CE2 3.59Å; L213-F217 WeakPolarHBondContact O-CB 3.36Å; L213-F217 WeakPolarHBondContact O-CD2 3.33Å; L213-F217 PolarHBondContact O-N 3.04Å; T214-F217 PolarHBondContact O-N 3.15Å; F217-R219 PolarHBondContact O-N 2.96Å; F217-P222 HydrophobicContact CD1-CB 3.74Å; F217-P222 HydrophobicContact CE1-CB 3.74Å; F217-L224 HydrophobicContact CD2-CD1 4.23Å; F217-L224 HydrophobicContact CE1-CB 4.28Å; F217-L224 HydrophobicContact CE2-CD1 3.67Å; F217-L224 HydrophobicContact CZ-CB 4.03Å; F217-L224 HydrophobicContact CZ-CD1 3.81Å; F217-L229 HydrophobicContact CE2-CD1 3.75Å; F217-L229 HydrophobicContact CZ-CB 4.47Å; F217-L229 HydrophobicContact CZ-CD1 3.68Å; F217-L229 HydrophobicContact CZ-CD2 3.91Å; F217-L229 HydrophobicContact CZ-CG 4.22Å; F217-V260 HydrophobicContact CB-CG1 4.36Å; F217-V260 HydrophobicContact CD2-CG1 4.22Å; F217-I263 HydrophobicContact CD2-CD1 3.78Å; F217-I263 HydrophobicContact CE2-CD1 3.52Å; F217-I263 HydrophobicContact CZ-CD1 4.39Å; F217-H266 HydrophobicContact CD1-CB 4.11Å; F217-H266 AromaticContact CD1-CD2 3.39Å; F217-H266 WeakPolarHBondContact CD1-CD2 3.37Å; F217-H266 AromaticContact CD1-CG 3.56Å; F217-H266 AromaticContact CD1-ND1 3.96Å; F217-H266 AromaticContact CD1-NE2 3.7Å; F217-H266 HydrophobicContact CE1-CB 3.82Å; F217-H266 AromaticContact CE1-CG 3.75Å; F217-H266 AromaticContact CG-CD2 3.63Å; F217-H266 HydrophobicContact CZ-CB 4.18Å; F217-L270 HydrophobicContact CE1-CD1 4.35Å
218A82.2Confident86.7Confident10 Ų1038.8 Ų38.88%0.08321%0.209CC..SBendtrans-75.167.5175.200000110.4T214 G373T214-A218 HydrophobicContact CG2-CB 3.99Å; T214-A218 WeakPolarHBondContact O-CB 3.32Å; T214-A218 PolarHBondContact O-N 2.79Å; A218-G373 CarbonylContact C-O 3.52Å; A218-G373 CarbonylContact O-C 3.55Å; A218-G373 WeakPolarHBondContact O-CA 3.33Å
219R80.7Confident86.6Confident56 Ų5638.9 Ų38.921%0.21121%0.209CC..SBendtrans-170.4162.2-174.251.218079-149.611.4110.2D151 N215 G216 F217 R221D151-R219 VanDerWaalsContact CB-NH1 3.31Å; D151-R219 IonicContact OD1-CZ 2.68Å; D151-R219 IonicContact OD1-NH1 3.93Å; D151-R219 IonicContact OD1-NH2 3.94Å; D151-R219 PolarHBondContact OD1-NH2 3.06Å; N215-R219 VanDerWaalsContact O-CZ 3.28Å; N215-R219 PolarHBondContact O-NE 3.04Å; N215-R219 VanDerWaalsContact O-NE 3.11Å; N215-R219 PolarHBondContact O-NH2 3.42Å; G216-R219 WeakPolarHBondContact O-CD 3.32Å; F217-R219 PolarHBondContact O-N 2.96Å; R219-R221 WeakPolarHBondContact CD-O 3.43Å; R219-R221 WeakPolarHBondContact CG-O 3.38Å; R219-R221 PolarHBondContact O-N 3.45Å
220S69.6Low86.4Confident81 Ų8140.3 Ų40.357%0.56622%0.218SC*.SBendtrans-65-33.9179.358.60000114.6E376S220-E376 PolarHBondContact N-OE2 3.21Å
221R75.6Confident86.4Confident207 Ų20738.7 Ų38.778%0.78121%0.211SC*.SBendtrans-122124.5177.7-67.2-174.7-179.9-175.30.6110.8R219 S223R219-R221 WeakPolarHBondContact CD-O 3.43Å; R219-R221 WeakPolarHBondContact CG-O 3.38Å; R219-R221 PolarHBondContact O-N 3.45Å; R221-S223 PolarHBondContact O-N 2.75Å
222P80Confident86.5Confident54 Ų5435.9 Ų35.935%0.35120%0.197SC..  trans-62.9137.3-178.326.3-33.9000111.2F217 L270F217-P222 HydrophobicContact CD1-CB 3.74Å; F217-P222 HydrophobicContact CE1-CB 3.74Å; P222-L270 HydrophobicContact CB-CD1 4.39Å; P222-L270 HydrophobicContact CG-CD1 4.43Å
223S85.3Confident86.5Confident26 Ų2636.2 Ų36.218%0.18220%0.199CC..  trans-102-15.2-17956.60000113.8G216 R221G216-S223 WeakPolarHBondContact CA-OG 3.28Å; G216-S223 PolarHBondContact O-N 2.88Å; G216-S223 PolarHBondContact O-OG 2.97Å; R221-S223 PolarHBondContact O-N 2.75Å
224L87.1Confident86.4Confident8 Ų836.9 Ų36.94%0.04220%0.204CC..SBendtrans-79.4136.2175.9-74.4168.7000111.6P150 V159 L213 F217P150-L224 HydrophobicContact CB-CD2 3.89Å; P150-L224 HydrophobicContact CB-CG 4.25Å; P150-L224 HydrophobicContact CG-CD2 3.88Å; P150-L224 HydrophobicContact CG-CG 4.3Å; V159-L224 HydrophobicContact CG1-CD2 4.36Å; L213-L224 HydrophobicContact CD2-CD1 4.28Å; F217-L224 HydrophobicContact CD2-CD1 4.23Å; F217-L224 HydrophobicContact CE1-CB 4.28Å; F217-L224 HydrophobicContact CE2-CD1 3.67Å; F217-L224 HydrophobicContact CZ-CB 4.03Å; F217-L224 HydrophobicContact CZ-CD1 3.81Å
225S87.9Confident86.6Confident46 Ų4635.9 Ų35.932%0.32220%0.198SC..  trans-72.9160.4176.7800000112.3G227 S228 L229S225-G227 PolarHBondContact O-N 3.19Å; S225-G227 PolarHBondContact OG-N 3.26Å; S225-S228 PolarHBondContact O-N 2.92Å; S225-S228 VanDerWaalsContact O-N 3.11Å; S225-S228 PolarHBondContact OG-N 3.13Å; S225-S228 VanDerWaalsContact OG-N 3.14Å; S225-S228 PolarHBondContact OG-OG 3.43Å; S225-L229 PolarHBondContact O-N 3.33Å
226K88.7Confident86.9Confident103 Ų10333.3 Ų33.345%0.44818%0.184SC..Hα-helixtrans-48.5-45.9172179.5176.7-177.8-174.50111.5T230 L270 T271 E273K226-T230 VanDerWaalsContact O-CB 3.3Å; K226-T230 WeakPolarHBondContact O-CB 3.42Å; K226-T230 PolarHBondContact O-N 2.96Å; K226-T230 PolarHBondContact O-OG1 3.32Å; K226-L270 WeakPolarHBondContact CD-O 3.03Å; K226-L270 WeakPolarHBondContact CE-O 3.38Å; K226-L270 VanDerWaalsContact CG-O 3.3Å; K226-L270 WeakPolarHBondContact CG-O 3.38Å; K226-T271 HydrophobicContact CG-CG2 3.71Å; K226-T271 WeakPolarHBondContact O-CG2 3.18Å; K226-E273 IonicContact NZ-OE1 2.79Å; K226-E273 PolarHBondContact NZ-OE1 3.24Å
227G87.3Confident87.1Confident46 Ų4633.8 Ų33.847%0.47419%0.186SC..Hα-helixtrans-65.5-44179.900000113.1S225 T230 A231S225-G227 PolarHBondContact O-N 3.19Å; S225-G227 PolarHBondContact OG-N 3.26Å; G227-T230 WeakPolarHBondContact O-CB 2.94Å; G227-T230 PolarHBondContact O-N 2.77Å; G227-A231 WeakPolarHBondContact O-CB 3.4Å; G227-A231 PolarHBondContact O-N 2.89Å
228S90.9Very high87.3Confident1 Ų136.6 Ų36.61%0.00720%0.197CC..Hα-helixtrans-64.6-44.4179.4-400000111.7N160 S225 A231 V232N160-S228 PolarHBondContact OD1-OG 3.49Å; S225-S228 PolarHBondContact O-N 2.92Å; S225-S228 VanDerWaalsContact O-N 3.11Å; S225-S228 PolarHBondContact OG-N 3.13Å; S225-S228 VanDerWaalsContact OG-N 3.14Å; S225-S228 PolarHBondContact OG-OG 3.43Å; S228-A231 WeakPolarHBondContact O-CB 3.39Å; S228-A231 PolarHBondContact O-N 3.01Å; S228-V232 WeakPolarHBondContact O-CG2 3.46Å; S228-V232 PolarHBondContact O-N 2.84Å
229L91.3Very high87.7Confident1 Ų136.5 Ų36.51%0.00520%0.195CC..Hα-helixtrans-64.2-44.8177.3179.355.5000111.6L213 F217 S225 A231 V232 F233 I263 L267 L270 T271L213-L229 HydrophobicContact CD2-CD1 4.29Å; F217-L229 HydrophobicContact CE2-CD1 3.75Å; F217-L229 HydrophobicContact CZ-CB 4.47Å; F217-L229 HydrophobicContact CZ-CD1 3.68Å; F217-L229 HydrophobicContact CZ-CD2 3.91Å; F217-L229 HydrophobicContact CZ-CG 4.22Å; S225-L229 PolarHBondContact O-N 3.33Å; L229-A231 PolarHBondContact O-N 3.12Å; L229-V232 PolarHBondContact O-N 3.43Å; L229-F233 WeakPolarHBondContact O-CB 3.39Å; L229-F233 PolarHBondContact O-N 3.08Å; L229-I263 HydrophobicContact CD1-CD1 4.04Å; L229-L267 HydrophobicContact CD1-CD2 4.02Å; L229-L267 HydrophobicContact CD2-CD2 3.94Å; L229-L267 HydrophobicContact CG-CD2 3.9Å; L229-L270 HydrophobicContact CD2-CB 4.09Å; L229-L270 HydrophobicContact CD2-CD1 4.01Å; L229-T271 HydrophobicContact CB-CG2 4.47Å; L229-T271 HydrophobicContact CD2-CG2 4.35Å; L229-T271 HydrophobicContact CG-CG2 4.44Å
230T91Very high88.1Confident30 Ų3033.9 Ų33.918%0.18419%0.186CC..Hα-helixtrans-54.1-45.7174-61.40000110.6K226 G227 S234 T271K226-T230 VanDerWaalsContact O-CB 3.3Å; K226-T230 WeakPolarHBondContact O-CB 3.42Å; K226-T230 PolarHBondContact O-N 2.96Å; K226-T230 PolarHBondContact O-OG1 3.32Å; G227-T230 WeakPolarHBondContact O-CB 2.94Å; G227-T230 PolarHBondContact O-N 2.77Å; T230-S234 WeakPolarHBondContact O-CB 3.43Å; T230-S234 PolarHBondContact O-N 2.89Å; T230-S234 PolarHBondContact O-OG 3.49Å; T230-T271 WeakPolarHBondContact OG1-CG2 3.44Å
231A91.4Very high89.1Confident6 Ų632.4 Ų32.45%0.0517%0.173CC..Hα-helixtrans-64.3-5218000000112.5L163 I167 G227 S228 L229 F233 S234 L235L163-A231 HydrophobicContact CB-CB 4.13Å; L163-A231 HydrophobicContact CD1-CB 4.27Å; I167-A231 HydrophobicContact CD1-CB 3.21Å; I167-A231 HydrophobicContact CG1-CB 4.14Å; G227-A231 WeakPolarHBondContact O-CB 3.4Å; G227-A231 PolarHBondContact O-N 2.89Å; S228-A231 WeakPolarHBondContact O-CB 3.39Å; S228-A231 PolarHBondContact O-N 3.01Å; L229-A231 PolarHBondContact O-N 3.12Å; A231-F233 PolarHBondContact O-N 3.46Å; A231-S234 PolarHBondContact O-N 3.12Å; A231-L235 WeakPolarHBondContact O-CB 3.47Å; A231-L235 VanDerWaalsContact O-CG 3.27Å; A231-L235 WeakPolarHBondContact O-CG 3.29Å; A231-L235 PolarHBondContact O-N 3.26Å
232V93.3Very high89.6Confident1 Ų126.2 Ų26.21%0.00617%0.166CC..Hα-helixtrans-59.4-48-179171.10000111L163 L209 L212 L213 S228 L229 S234 L235 A236L163-V232 HydrophobicContact CD1-CG2 3.77Å; L163-V232 HydrophobicContact CD2-CG2 3.65Å; L163-V232 HydrophobicContact CG-CG2 4.39Å; L209-V232 HydrophobicContact CB-CG1 4.42Å; L209-V232 HydrophobicContact CD1-CG1 4.44Å; L209-V232 HydrophobicContact CD2-CG1 4.14Å; L212-V232 HydrophobicContact CD2-CG2 3.77Å; L213-V232 HydrophobicContact CD1-CG1 3.9Å; L213-V232 HydrophobicContact CD2-CB 4.43Å; L213-V232 HydrophobicContact CD2-CG1 3.68Å; L213-V232 HydrophobicContact CG-CG1 3.8Å; S228-V232 WeakPolarHBondContact O-CG2 3.46Å; S228-V232 PolarHBondContact O-N 2.84Å; L229-V232 PolarHBondContact O-N 3.43Å; V232-S234 PolarHBondContact O-N 3.14Å; V232-L235 PolarHBondContact O-N 3.09Å; V232-A236 WeakPolarHBondContact O-CB 3.36Å; V232-A236 PolarHBondContact O-N 2.7Å
233F92.3Very high89.9Confident6 Ų625.7 Ų25.73%0.02617%0.167CC..Hα-helixtrans-63.1-42.9179.2-167-96000111.9L229 A231 L235 A236 L237 F253 L267 R274 I278L229-F233 WeakPolarHBondContact O-CB 3.39Å; L229-F233 PolarHBondContact O-N 3.08Å; A231-F233 PolarHBondContact O-N 3.46Å; F233-L235 VanDerWaalsContact C-N 3.34Å; F233-L235 PolarHBondContact O-N 3.11Å; F233-A236 PolarHBondContact O-N 3.24Å; F233-L237 HydrophobicContact CE1-CD2 4.2Å; F233-L237 WeakPolarHBondContact O-CB 3.44Å; F233-L237 PolarHBondContact O-N 3.38Å; F233-F253 AromaticContact CE2-CZ 3.9Å; F233-F253 HydrophobicContact CE2-CZ 3.9Å; F233-F253 HydrophobicContact CZ-CZ 4.21Å; F233-L267 HydrophobicContact CB-CD2 4.44Å; F233-L267 HydrophobicContact CD2-CD1 3.89Å; F233-L267 HydrophobicContact CD2-CD2 4.14Å; F233-L267 HydrophobicContact CE2-CD1 3.74Å; F233-L267 HydrophobicContact CG-CD2 4.25Å; F233-L267 HydrophobicContact CZ-CD1 4.41Å; F233-R274 HydrophobicContact CD1-CB 4.17Å; F233-R274 HydrophobicContact CD1-CG 4.43Å; F233-R274 HydrophobicContact CE1-CB 4.48Å; F233-I278 HydrophobicContact CE1-CD1 4.33Å; F233-I278 HydrophobicContact CE1-CG1 4Å; F233-I278 HydrophobicContact CE2-CD1 4.28Å; F233-I278 HydrophobicContact CZ-CD1 3.62Å; F233-I278 HydrophobicContact CZ-CG1 3.6Å
234S91.4Very high90Very high17 Ų1732.6 Ų32.612%0.11920%0.196CC..Hα-helixtrans-61.5-43.3176.6-54.70000111.8T230 A231 V232 L237 R238 R274T230-S234 WeakPolarHBondContact O-CB 3.43Å; T230-S234 PolarHBondContact O-N 2.89Å; T230-S234 PolarHBondContact O-OG 3.49Å; A231-S234 PolarHBondContact O-N 3.12Å; V232-S234 PolarHBondContact O-N 3.14Å; S234-L237 PolarHBondContact O-N 3.49Å; S234-R238 VanDerWaalsContact O-CG 3.25Å; S234-R238 WeakPolarHBondContact O-CG 3.5Å; S234-R238 PolarHBondContact O-N 3.32Å; S234-R238 VanDerWaalsContact O-N 3.08Å; S234-R274 PolarHBondContact OG-NH2 2.83Å
235L92.9Very high90.2Very high0 Ų033.9 Ų33.90%020%0.201CC..Hα-helixtrans-66.2-37.5178.2-74169.1000112.3L163 L166 I167 T170 M197 F205 A231 V232 F233 P239L163-L235 HydrophobicContact CD2-CD1 4.1Å; L166-L235 HydrophobicContact CB-CD1 3.68Å; L166-L235 HydrophobicContact CB-CD2 4.05Å; L166-L235 HydrophobicContact CD1-CD1 4.26Å; I167-L235 HydrophobicContact CG1-CD1 4.2Å; I167-L235 HydrophobicContact CG1-CD2 4.31Å; I167-L235 HydrophobicContact CG1-CG 4.14Å; T170-L235 WeakPolarHBondContact OG1-CD2 3.32Å; M197-L235 HydrophobicContact CE-CD2 4.3Å; F205-L235 HydrophobicContact CE1-CB 4.26Å; F205-L235 HydrophobicContact CZ-CB 3.95Å; F205-L235 HydrophobicContact CZ-CD1 4.45Å; A231-L235 WeakPolarHBondContact O-CB 3.47Å; A231-L235 VanDerWaalsContact O-CG 3.27Å; A231-L235 WeakPolarHBondContact O-CG 3.29Å; A231-L235 PolarHBondContact O-N 3.26Å; V232-L235 PolarHBondContact O-N 3.09Å; F233-L235 VanDerWaalsContact C-N 3.34Å; F233-L235 PolarHBondContact O-N 3.11Å; L235-P239 WeakPolarHBondContact O-CD 3.3Å
236A93.1Very high90.4Very high0 Ų033.9 Ų33.90%020%0.201CC..Hα-helixtrans-68.3-36.7175.900000112.6Y206 L209 V232 F233 P239 F253 V257Y206-A236 HydrophobicContact CE1-CB 4.39Å; Y206-A236 PolarHBondContact OH-O 3.27Å; Y206-A236 VanDerWaalsContact OH-O 3.07Å; L209-A236 HydrophobicContact CD1-CB 3.82Å; V232-A236 WeakPolarHBondContact O-CB 3.36Å; V232-A236 PolarHBondContact O-N 2.7Å; F233-A236 PolarHBondContact O-N 3.24Å; A236-P239 WeakPolarHBondContact O-CD 3.48Å; A236-F253 HydrophobicContact CB-CD2 4.17Å; A236-F253 HydrophobicContact CB-CE2 3.75Å; A236-V257 HydrophobicContact CB-CG2 3.92Å
237L91.8Very high90.5Very high11 Ų1132 Ų326%0.05820%0.196CC..Hα-helixtrans-79.6-34.4-176.3-174.559.4000113.1F233 S234 V240 V241 V277 L283F233-L237 HydrophobicContact CE1-CD2 4.2Å; F233-L237 WeakPolarHBondContact O-CB 3.44Å; F233-L237 PolarHBondContact O-N 3.38Å; S234-L237 PolarHBondContact O-N 3.49Å; L237-V240 WeakPolarHBondContact O-CB 3.35Å; L237-V240 PolarHBondContact O-N 2.97Å; L237-V240 VanDerWaalsContact O-N 3.07Å; L237-V241 HydrophobicContact CD1-CG2 3.94Å; L237-V241 HydrophobicContact CG-CG2 3.82Å; L237-V241 PolarHBondContact O-N 2.91Å; L237-V277 HydrophobicContact CD2-CG1 3.57Å; L237-L283 HydrophobicContact CD1-CD1 3.84Å; L237-L283 HydrophobicContact CD1-CD2 4.3Å
238R89.8Confident90.7Very high58 Ų5835.8 Ų35.822%0.21921%0.206CC..Hα-helixtrans-49-51.9-178-84.7169.4-173.3-176.3-2114I167 T170 D171 M197 S234 V240 V241 A242I167-R238 PolarHBondContact O-NH1 3.19Å; T170-R238 PolarHBondContact OG1-NH1 2.91Å; D171-R238 VanDerWaalsContact CB-NH1 3.33Å; D171-R238 IonicContact OD2-CZ 3.46Å; D171-R238 IonicContact OD2-NH2 3.65Å; D171-R238 PolarHBondContact OD2-NH2 3.21Å; M197-R238 HydrophobicContact CE-CB 4.31Å; S234-R238 VanDerWaalsContact O-CG 3.25Å; S234-R238 WeakPolarHBondContact O-CG 3.5Å; S234-R238 PolarHBondContact O-N 3.32Å; S234-R238 VanDerWaalsContact O-N 3.08Å; R238-V240 VanDerWaalsContact C-N 3.32Å; R238-V240 PolarHBondContact O-N 3.11Å; R238-V241 PolarHBondContact O-N 3.35Å; R238-A242 WeakPolarHBondContact O-CB 3.3Å; R238-A242 PolarHBondContact O-N 3.16Å
239P89.6Confident90.7Very high8 Ų837.3 Ų37.35%0.05221%0.213CC..Hα-helixtrans-62.6-38.3178.9-14.822.9000113.1M197 N201 L235 A236 A242 A243 L249M197-P239 HydrophobicContact CG-CB 4.19Å; M197-P239 HydrophobicContact CG-CG 3.66Å; M197-P239 HydrophobicContact SD-CG 3.95Å; N201-P239 VanDerWaalsContact ND2-CB 3.31Å; N201-P239 WeakPolarHBondContact ND2-CB 3.48Å; L235-P239 WeakPolarHBondContact O-CD 3.3Å; A236-P239 WeakPolarHBondContact O-CD 3.48Å; P239-A242 PolarHBondContact O-N 3.31Å; P239-A243 WeakPolarHBondContact O-CB 3.44Å; P239-A243 PolarHBondContact O-N 3.09Å; P239-L249 HydrophobicContact CB-CD1 4.17Å; P239-L249 VanDerWaalsContact O-CD1 3.3Å; P239-L249 WeakPolarHBondContact O-CD1 3.44Å
240V90.7Very high90.8Very high1 Ų137.6 Ų37.61%0.00622%0.215CC..Hα-helixtrans-63.8-46.5-179.6-173.80000109.9Y206 L237 R238 A243 Q244 F245 L249 L250 F253Y206-V240 VanDerWaalsContact OH-CG2 3.3Å; Y206-V240 WeakPolarHBondContact OH-CG2 3.43Å; L237-V240 WeakPolarHBondContact O-CB 3.35Å; L237-V240 PolarHBondContact O-N 2.97Å; L237-V240 VanDerWaalsContact O-N 3.07Å; R238-V240 VanDerWaalsContact C-N 3.32Å; R238-V240 PolarHBondContact O-N 3.11Å; V240-A243 PolarHBondContact O-N 3.15Å; V240-Q244 PolarHBondContact O-N 3.43Å; V240-F245 HydrophobicContact CG1-CB 4.43Å; V240-F245 HydrophobicContact CG1-CD1 3.57Å; V240-F245 HydrophobicContact CG1-CE1 4.15Å; V240-F245 HydrophobicContact CG1-CG 4.27Å; V240-F245 WeakPolarHBondContact O-CA 3.18Å; V240-F245 PolarHBondContact O-N 3.08Å; V240-L249 HydrophobicContact CG2-CB 4.3Å; V240-L250 HydrophobicContact CG1-CD2 3.91Å; V240-L250 HydrophobicContact CG1-CG 4.45Å; V240-F253 HydrophobicContact CG2-CB 4.18Å; V240-F253 HydrophobicContact CG2-CD2 3.96Å; V240-F253 HydrophobicContact CG2-CG 4.36Å
241V89.4Confident90.9Very high51 Ų5139.6 Ų39.631%0.30922%0.219SC..Hα-helixtrans-66.2-44.6178.11760000111.3L237 R238 A243 Q244 F245L237-V241 HydrophobicContact CD1-CG2 3.94Å; L237-V241 HydrophobicContact CG-CG2 3.82Å; L237-V241 PolarHBondContact O-N 2.91Å; R238-V241 PolarHBondContact O-N 3.35Å; V241-A243 VanDerWaalsContact C-N 3.26Å; V241-A243 PolarHBondContact O-N 3.26Å; V241-Q244 PolarHBondContact O-N 3.35Å; V241-F245 HydrophobicContact CG2-CE1 4.3Å; V241-F245 HydrophobicContact CG2-CZ 3.97Å
242A86Confident91.1Very high77 Ų7740.6 Ų40.664%0.63623%0.226SC*.Hα-helixtrans-62.1-33.4-179.600000113R238 P239 Q244R238-A242 WeakPolarHBondContact O-CB 3.3Å; R238-A242 PolarHBondContact O-N 3.16Å; P239-A242 PolarHBondContact O-N 3.31Å; A242-Q244 VanDerWaalsContact C-N 3.3Å
243A86.7Confident91.1Very high43 Ų4340.7 Ų40.736%0.35523%0.226SC..THydrogen-bonded Turntrans-92.318.617600000113.4P239 V240 V241 F245 S246 L249P239-A243 WeakPolarHBondContact O-CB 3.44Å; P239-A243 PolarHBondContact O-N 3.09Å; V240-A243 PolarHBondContact O-N 3.15Å; V241-A243 VanDerWaalsContact C-N 3.26Å; V241-A243 PolarHBondContact O-N 3.26Å; A243-F245 PolarHBondContact O-N 3.26Å; A243-S246 PolarHBondContact O-N 3.47Å; A243-L249 HydrophobicContact CB-CD1 3.52Å
244Q88Confident91.3Very high171 Ų17140.4 Ų40.480%0.79923%0.225SC*.THydrogen-bonded Turntrans50.942179.5-60.6-178.5-1700113.5V240 V241 A242 S246V240-Q244 PolarHBondContact O-N 3.43Å; V241-Q244 PolarHBondContact O-N 3.35Å; A242-Q244 VanDerWaalsContact C-N 3.3Å; Q244-S246 PolarHBondContact O-N 3.3Å
245F90.7Very high91.4Very high34 Ų3440 Ų4015%0.14922%0.222CC..THydrogen-bonded Turntrans61.339.4177.6-50.4-92.1000114.1V240 V241 A243 L250 H281 L283 K286V240-F245 HydrophobicContact CG1-CB 4.43Å; V240-F245 HydrophobicContact CG1-CD1 3.57Å; V240-F245 HydrophobicContact CG1-CE1 4.15Å; V240-F245 HydrophobicContact CG1-CG 4.27Å; V240-F245 WeakPolarHBondContact O-CA 3.18Å; V240-F245 PolarHBondContact O-N 3.08Å; V241-F245 HydrophobicContact CG2-CE1 4.3Å; V241-F245 HydrophobicContact CG2-CZ 3.97Å; A243-F245 PolarHBondContact O-N 3.26Å; F245-L250 HydrophobicContact CB-CD1 4.18Å; F245-L250 HydrophobicContact CB-CD2 4.3Å; F245-L250 HydrophobicContact CB-CG 4.26Å; F245-L250 HydrophobicContact CD1-CD2 4.24Å; F245-L250 WeakPolarHBondContact O-CD1 3.35Å; F245-H281 HydrophobicContact CE1-CB 4.36Å; F245-H281 HydrophobicContact CZ-CB 3.97Å; F245-L283 HydrophobicContact CD1-CD2 3.94Å; F245-L283 HydrophobicContact CE1-CD2 3.51Å; F245-K286 HydrophobicContact CB-CD 4.16Å; F245-K286 HydrophobicContact CD1-CD 3.65Å; F245-K286 HydrophobicContact CD2-CD 4.14Å; F245-K286 VanDerWaalsContact CD2-NZ 3.28Å; F245-K286 HydrophobicContact CE1-CD 4.07Å; F245-K286 HydrophobicContact CG-CD 3.7Å; F245-K286 HydrophobicContact CZ-CD 4.49Å
246S92.8Very high91.5Very high47 Ų4742 Ų4233%0.32923%0.231SC..  trans-53.6141.9173.163.90000113.5A243 Q244 N248 L249 L250A243-S246 PolarHBondContact O-N 3.47Å; Q244-S246 PolarHBondContact O-N 3.3Å; S246-N248 VanDerWaalsContact C-N 3.25Å; S246-N248 PolarHBondContact O-N 3.44Å; S246-N248 VanDerWaalsContact O-N 3.13Å; S246-L249 PolarHBondContact O-N 3.42Å; S246-L250 PolarHBondContact O-N 3.06Å
247D90.8Very high91.5Very high63 Ų6342.1 Ų42.134%0.33723%0.231SC..Hα-helixtrans-49.8-41.1-177.8-77.523.5000113.2L249 L250 R251 F290 R293 Q296D247-L249 PolarHBondContact O-N 3.14Å; D247-L250 PolarHBondContact O-N 3.32Å; D247-R251 VanDerWaalsContact O-CB 3.23Å; D247-R251 WeakPolarHBondContact O-CB 3.35Å; D247-R251 PolarHBondContact O-N 3.37Å; D247-F290 HydrophobicContact CB-CD2 4.39Å; D247-F290 HydrophobicContact CB-CE2 3.83Å; D247-R293 IonicContact OD2-NH1 3.05Å; D247-R293 PolarHBondContact OD2-NH1 2.86Å; D247-Q296 PolarHBondContact OD2-NE2 2.83Å
248N91.1Very high91.7Very high126 Ų12641.6 Ų41.667%0.67423%0.229SC*.Hα-helixtrans-64.1-39.2179.9-72.6-23000113.2S246 S252S246-N248 VanDerWaalsContact C-N 3.25Å; S246-N248 PolarHBondContact O-N 3.44Å; S246-N248 VanDerWaalsContact O-N 3.13Å; N248-S252 PolarHBondContact O-N 3.43Å; N248-S252 VanDerWaalsContact O-N 3.14Å; N248-S252 PolarHBondContact O-OG 3.48Å
249L91.1Very high91.9Very high32 Ų3238.9 Ų38.917%0.16822%0.218CC..Hα-helixtrans-82.7-33.4180-67.4-178.2000111.8Y206 P239 V240 A243 S246 D247 S252 F253Y206-L249 HydrophobicContact CE2-CD2 4.13Å; P239-L249 HydrophobicContact CB-CD1 4.17Å; P239-L249 VanDerWaalsContact O-CD1 3.3Å; P239-L249 WeakPolarHBondContact O-CD1 3.44Å; V240-L249 HydrophobicContact CG2-CB 4.3Å; A243-L249 HydrophobicContact CB-CD1 3.52Å; S246-L249 PolarHBondContact O-N 3.42Å; D247-L249 PolarHBondContact O-N 3.14Å; L249-S252 PolarHBondContact O-N 3.06Å; L249-F253 WeakPolarHBondContact O-CB 3.48Å; L249-F253 PolarHBondContact O-N 3.32Å
250L92.6Very high92Very high7 Ų738.5 Ų38.54%0.03722%0.216CC..Hα-helixtrans-59.6-47.2169.1-77.5177.8000111V240 F245 S246 D247 S252 F253 L254 F287 F290V240-L250 HydrophobicContact CG1-CD2 3.91Å; V240-L250 HydrophobicContact CG1-CG 4.45Å; F245-L250 HydrophobicContact CB-CD1 4.18Å; F245-L250 HydrophobicContact CB-CD2 4.3Å; F245-L250 HydrophobicContact CB-CG 4.26Å; F245-L250 HydrophobicContact CD1-CD2 4.24Å; F245-L250 WeakPolarHBondContact O-CD1 3.35Å; S246-L250 PolarHBondContact O-N 3.06Å; D247-L250 PolarHBondContact O-N 3.32Å; L250-S252 VanDerWaalsContact C-N 3.34Å; L250-S252 PolarHBondContact O-N 3.08Å; L250-F253 PolarHBondContact O-N 2.85Å; L250-L254 WeakPolarHBondContact O-CG 3.47Å; L250-L254 PolarHBondContact O-N 3.19Å; L250-F287 HydrophobicContact CD2-CD1 4.15Å; L250-F287 HydrophobicContact CD2-CE1 3.84Å; L250-F290 HydrophobicContact CB-CD2 4.44Å; L250-F290 HydrophobicContact CD1-CD2 4.42Å
251R94.3Very high92Very high72 Ų7238.4 Ų38.427%0.27222%0.216SC..Hα-helixtrans-54.5-49.2173.2-177.4-171.4-177.6-82.6-1.2111.8D247 F253 L254 I255 F290 D299 V300 C303D247-R251 VanDerWaalsContact O-CB 3.23Å; D247-R251 WeakPolarHBondContact O-CB 3.35Å; D247-R251 PolarHBondContact O-N 3.37Å; R251-F253 VanDerWaalsContact C-N 3.33Å; R251-F253 PolarHBondContact O-N 3.38Å; R251-L254 PolarHBondContact O-N 2.92Å; R251-I255 HydrophobicContact CG-CD1 3.8Å; R251-I255 WeakPolarHBondContact O-CB 3.38Å; R251-I255 WeakPolarHBondContact O-CG1 3.3Å; R251-I255 PolarHBondContact O-N 3.33Å; R251-F290 HydrophobicContact CB-CE1 4.45Å; R251-F290 HydrophobicContact CB-CZ 3.88Å; R251-D299 IonicContact CZ-OD2 3.23Å; R251-D299 IonicContact NE-OD2 3.71Å; R251-D299 PolarHBondContact NE-OD2 3.44Å; R251-D299 IonicContact NH2-OD1 2.83Å; R251-D299 PolarHBondContact NH2-OD1 3.12Å; R251-D299 IonicContact NH2-OD2 3.04Å; R251-D299 PolarHBondContact NH2-OD2 3.1Å; R251-V300 HydrophobicContact CG-CG2 4.31Å; R251-C303 PolarHBondContact NH2-SG 2.62Å
252S93.8Very high91.9Very high28 Ų2836 Ų3620%0.19620%0.201CC..Hα-helixtrans-62.6-40.3179.8-58.90000111.8N248 L249 L250 H256N248-S252 PolarHBondContact O-N 3.43Å; N248-S252 VanDerWaalsContact O-N 3.14Å; N248-S252 PolarHBondContact O-OG 3.48Å; L249-S252 PolarHBondContact O-N 3.06Å; L250-S252 VanDerWaalsContact C-N 3.34Å; L250-S252 PolarHBondContact O-N 3.08Å; S252-H256 VanDerWaalsContact O-CB 3.31Å; S252-H256 WeakPolarHBondContact O-CB 3.31Å; S252-H256 PolarHBondContact O-CD2 3.28Å; S252-H256 PolarHBondContact O-N 3.29Å
253F94.8Very high92.2Very high2 Ų232.4 Ų32.41%0.00917%0.171CC..Hα-helixtrans-65.5-43.2176.6-168.3-86000111.9Y206 F233 A236 V240 L249 L250 R251 V257 M258 F287Y206-F253 HydrophobicContact CE1-CB 4.4Å; Y206-F253 HydrophobicContact CE1-CD2 4.17Å; F233-F253 AromaticContact CE2-CZ 3.9Å; F233-F253 HydrophobicContact CE2-CZ 3.9Å; F233-F253 HydrophobicContact CZ-CZ 4.21Å; A236-F253 HydrophobicContact CB-CD2 4.17Å; A236-F253 HydrophobicContact CB-CE2 3.75Å; V240-F253 HydrophobicContact CG2-CB 4.18Å; V240-F253 HydrophobicContact CG2-CD2 3.96Å; V240-F253 HydrophobicContact CG2-CG 4.36Å; L249-F253 WeakPolarHBondContact O-CB 3.48Å; L249-F253 PolarHBondContact O-N 3.32Å; L250-F253 PolarHBondContact O-N 2.85Å; R251-F253 VanDerWaalsContact C-N 3.33Å; R251-F253 PolarHBondContact O-N 3.38Å; F253-V257 HydrophobicContact CD1-CB 4.41Å; F253-V257 HydrophobicContact CD2-CB 4.38Å; F253-V257 HydrophobicContact CD2-CG2 4.16Å; F253-V257 HydrophobicContact CE1-CB 4.33Å; F253-V257 HydrophobicContact CE1-CG1 4.29Å; F253-V257 HydrophobicContact CE2-CB 4.31Å; F253-V257 HydrophobicContact CE2-CG1 4.21Å; F253-V257 HydrophobicContact CE2-CG2 4.29Å; F253-V257 HydrophobicContact CG-CB 4.42Å; F253-V257 HydrophobicContact CZ-CB 4.28Å; F253-V257 HydrophobicContact CZ-CG1 3.95Å; F253-V257 WeakPolarHBondContact O-CA 3.42Å; F253-V257 VanDerWaalsContact O-CB 3.3Å; F253-V257 WeakPolarHBondContact O-CB 3.48Å; F253-V257 PolarHBondContact O-N 3.1Å; F253-M258 HydrophobicContact CD1-CG 3.77Å; F253-M258 HydrophobicContact CE1-CG 3.63Å; F253-M258 HydrophobicContact CE1-SD 3.88Å; F253-M258 PolarHBondContact O-N 3.1Å; F253-M258 VanDerWaalsContact O-N 3.1Å; F253-F287 HydrophobicContact CD1-CE1 4.08Å; F253-F287 AromaticContact CD1-CZ 3.69Å; F253-F287 HydrophobicContact CD1-CZ 3.69Å; F253-F287 HydrophobicContact CE1-CE2 4.43Å; F253-F287 AromaticContact CE1-CZ 3.69Å; F253-F287 HydrophobicContact CE1-CZ 3.69Å
254L95.2Very high92.5Very high0 Ų030.4 Ų30.40%015%0.154CC..Iπ-helixtrans-62.4-46.5177-72.9167.1000111.9L250 R251 M258 S259 F287 F290 L291 L312L250-L254 WeakPolarHBondContact O-CG 3.47Å; L250-L254 PolarHBondContact O-N 3.19Å; R251-L254 PolarHBondContact O-N 2.92Å; L254-M258 HydrophobicContact CD2-CB 4.24Å; L254-M258 HydrophobicContact CD2-CG 4.24Å; L254-S259 PolarHBondContact O-N 3.24Å; L254-F287 HydrophobicContact CD1-CD1 4.49Å; L254-F287 HydrophobicContact CD2-CB 4.27Å; L254-F287 HydrophobicContact CD2-CD1 3.87Å; L254-F287 HydrophobicContact CD2-CD2 4.39Å; L254-F287 HydrophobicContact CD2-CE1 4.31Å; L254-F287 HydrophobicContact CD2-CG 3.93Å; L254-F287 HydrophobicContact CG-CD1 4.23Å; L254-F290 HydrophobicContact CD1-CD1 3.53Å; L254-F290 HydrophobicContact CD1-CE1 3.78Å; L254-L291 HydrophobicContact CD1-CD1 4.39Å; L254-L291 HydrophobicContact CD1-CD2 4.11Å; L254-L291 HydrophobicContact CD1-CG 4.15Å; L254-L291 HydrophobicContact CD2-CD1 4.43Å; L254-L312 HydrophobicContact CD2-CD1 3.97Å
255I94.6Very high92.6Very high10 Ų1023.6 Ų23.65%0.05112%0.124CC..Iπ-helixtrans-71.2-36.7-176.7-68.9172.5000112.5R251 S259 V300 C303 L304R251-I255 HydrophobicContact CG-CD1 3.8Å; R251-I255 WeakPolarHBondContact O-CB 3.38Å; R251-I255 WeakPolarHBondContact O-CG1 3.3Å; R251-I255 PolarHBondContact O-N 3.33Å; I255-S259 WeakPolarHBondContact O-CB 3.45Å; I255-S259 PolarHBondContact O-OG 3.35Å; I255-V300 HydrophobicContact CD1-CG2 4.48Å; I255-V300 HydrophobicContact CG1-CG1 4.09Å; I255-V300 HydrophobicContact CG1-CG2 4.39Å; I255-C303 HydrophobicContact CD1-CB 3.86Å; I255-C303 HydrophobicContact CG1-CB 4.44Å; I255-L304 HydrophobicContact CB-CD2 4.37Å; I255-L304 HydrophobicContact CG2-CD2 3.98Å; I255-L304 VanDerWaalsContact O-CD2 3.31Å; I255-L304 WeakPolarHBondContact O-CD2 3.3Å
256H94.1Very high92.5Very high41 Ų4122.2 Ų22.219%0.1912%0.118CC..Iπ-helixtrans-106.6-20.6-169.6-65.1-62.9000114.6Y206 Q210 S252Y206-H256 VanDerWaalsContact CB-CD2 3.44Å; Y206-H256 WeakPolarHBondContact CB-CD2 3.41Å; Y206-H256 HydrophobicContact CD1-CB 4.39Å; Q210-H256 WeakPolarHBondContact CA-O 3.23Å; Q210-H256 HydrophobicContact CB-CB 4.08Å; Q210-H256 VanDerWaalsContact CB-O 3.3Å; Q210-H256 WeakPolarHBondContact CB-O 3.1Å; Q210-H256 WeakPolarHBondContact CG-O 3.49Å; Q210-H256 PolarHBondContact OE1-ND1 3.44Å; S252-H256 VanDerWaalsContact O-CB 3.31Å; S252-H256 WeakPolarHBondContact O-CB 3.31Å; S252-H256 PolarHBondContact O-CD2 3.28Å; S252-H256 PolarHBondContact O-N 3.29Å
257V94.3Very high92.4Very high2 Ų220 Ų201%0.01210%0.103CC..Iπ-helixtrans-115.1-53.6-177.2-1750000110.8Y206 L213 A236 F253 S259 V260Y206-V257 HydrophobicContact CD1-CG2 4.19Å; Y206-V257 HydrophobicContact CE1-CG2 4.43Å; L213-V257 HydrophobicContact CD1-CG1 4.24Å; A236-V257 HydrophobicContact CB-CG2 3.92Å; F253-V257 HydrophobicContact CD1-CB 4.41Å; F253-V257 HydrophobicContact CD2-CB 4.38Å; F253-V257 HydrophobicContact CD2-CG2 4.16Å; F253-V257 HydrophobicContact CE1-CB 4.33Å; F253-V257 HydrophobicContact CE1-CG1 4.29Å; F253-V257 HydrophobicContact CE2-CB 4.31Å; F253-V257 HydrophobicContact CE2-CG1 4.21Å; F253-V257 HydrophobicContact CE2-CG2 4.29Å; F253-V257 HydrophobicContact CG-CB 4.42Å; F253-V257 HydrophobicContact CZ-CB 4.28Å; F253-V257 HydrophobicContact CZ-CG1 3.95Å; F253-V257 WeakPolarHBondContact O-CA 3.42Å; F253-V257 VanDerWaalsContact O-CB 3.3Å; F253-V257 WeakPolarHBondContact O-CB 3.48Å; F253-V257 PolarHBondContact O-N 3.1Å; V257-S259 VanDerWaalsContact C-N 3.27Å; V257-S259 PolarHBondContact O-N 3.46Å; V257-V260 WeakPolarHBondContact O-CB 3.46Å; V257-V260 WeakPolarHBondContact O-CG2 3.22Å; V257-V260 PolarHBondContact O-N 2.88Å
258M94.5Very high92.3Very high1 Ų118.1 Ų18.11%0.00510%0.096CC..Iπ-helixtrans-74.8-14.6-176.7-65.9-60.8-60.200114.1F253 L254 V260 M264 F287 L312 N315 L319F253-M258 HydrophobicContact CD1-CG 3.77Å; F253-M258 HydrophobicContact CE1-CG 3.63Å; F253-M258 HydrophobicContact CE1-SD 3.88Å; F253-M258 PolarHBondContact O-N 3.1Å; F253-M258 VanDerWaalsContact O-N 3.1Å; L254-M258 HydrophobicContact CD2-CB 4.24Å; L254-M258 HydrophobicContact CD2-CG 4.24Å; M258-V260 VanDerWaalsContact C-N 3.32Å; M258-M264 HydrophobicContact CE-CG 4.15Å; M258-M264 HydrophobicContact CE-SD 3.92Å; M258-M264 HydrophobicContact SD-SD 4.32Å; M258-F287 HydrophobicContact CE-CE2 4.46Å; M258-F287 HydrophobicContact CG-CE2 4.24Å; M258-F287 HydrophobicContact CG-CZ 4.4Å; M258-F287 HydrophobicContact SD-CE2 4.29Å; M258-L312 HydrophobicContact CB-CD1 3.46Å; M258-L312 VanDerWaalsContact CB-CD1 3.46Å; M258-L312 WeakPolarHBondContact O-CA 3.41Å; M258-N315 HydrophobicContact CE-CB 3.88Å; M258-N315 PolarHBondContact O-ND2 2.9Å; M258-L319 HydrophobicContact CE-CD1 3.45Å; M258-L319 VanDerWaalsContact CE-CD1 3.45Å; M258-L319 HydrophobicContact CE-CG 4.49Å
259S94Very high92.1Very high0 Ų016.8 Ų16.80%09%0.093CC..THydrogen-bonded Turntrans-84.4-5.9173.571.70000113.7L254 I255 V257 C311L254-S259 PolarHBondContact O-N 3.24Å; I255-S259 WeakPolarHBondContact O-CB 3.45Å; I255-S259 PolarHBondContact O-OG 3.35Å; V257-S259 VanDerWaalsContact C-N 3.27Å; V257-S259 PolarHBondContact O-N 3.46Å; S259-C311 WeakPolarHBondContact O-CB 3.42Å
260V92.4Very high91.9Very high0 Ų017.6 Ų17.60%010%0.097CC..SBendtrans-68135.2176.9174.10000109L213 F217 V257 M258 A262 I263 N315L213-V260 HydrophobicContact CB-CB 4.44Å; L213-V260 HydrophobicContact CB-CG1 3.94Å; L213-V260 HydrophobicContact CB-CG2 3.75Å; L213-V260 HydrophobicContact CD1-CG2 4.04Å; F217-V260 HydrophobicContact CB-CG1 4.36Å; F217-V260 HydrophobicContact CD2-CG1 4.22Å; V257-V260 WeakPolarHBondContact O-CB 3.46Å; V257-V260 WeakPolarHBondContact O-CG2 3.22Å; V257-V260 PolarHBondContact O-N 2.88Å; M258-V260 VanDerWaalsContact C-N 3.32Å; V260-A262 PolarHBondContact O-N 3.43Å; V260-I263 HydrophobicContact CB-CB 4.28Å; V260-I263 HydrophobicContact CG1-CB 4.44Å; V260-I263 PolarHBondContact O-N 3.28Å; V260-N315 PolarHBondContact O-ND2 2.92Å
261P90Very high91.6Very high0 Ų017.3 Ų17.30%010%0.095CC..THydrogen-bonded Turntrans-55.7128.5-177.5-24.634.2000112.2I263 L374 S377P261-I263 PolarHBondContact O-N 3.05Å; P261-L374 HydrophobicContact CB-CD1 4.24Å; P261-L374 HydrophobicContact CG-CD1 3.36Å; P261-S377 VanDerWaalsContact CB-OG 3.23Å; P261-S377 WeakPolarHBondContact CB-OG 3.47Å
262A88.9Confident91.2Very high0 Ų017.2 Ų17.20%010%0.104CC..THydrogen-bonded Turntrans50.925.7173.500000116.6V260 M264 T265 H266 L380V260-A262 PolarHBondContact O-N 3.43Å; A262-M264 PolarHBondContact O-N 3.42Å; A262-M264 VanDerWaalsContact O-N 3.1Å; A262-T265 WeakPolarHBondContact O-CB 3.31Å; A262-T265 PolarHBondContact O-N 3.02Å; A262-H266 PolarHBondContact O-CD2 2.67Å; A262-H266 PolarHBondContact O-N 3.4Å; A262-L380 HydrophobicContact CB-CB 3.65Å; A262-L380 HydrophobicContact CB-CD1 4.33Å
263I91.5Very high90.9Very high2 Ų221.8 Ų21.81%0.0112%0.123CC..Hα-helixtrans-55.6-35.1-177.1-167.860.1000112L213 F217 L229 V260 P261 H266 L267 N315L213-I263 HydrophobicContact CD2-CD1 4.06Å; F217-I263 HydrophobicContact CD2-CD1 3.78Å; F217-I263 HydrophobicContact CE2-CD1 3.52Å; F217-I263 HydrophobicContact CZ-CD1 4.39Å; L229-I263 HydrophobicContact CD1-CD1 4.04Å; V260-I263 HydrophobicContact CB-CB 4.28Å; V260-I263 HydrophobicContact CG1-CB 4.44Å; V260-I263 PolarHBondContact O-N 3.28Å; P261-I263 PolarHBondContact O-N 3.05Å; I263-H266 PolarHBondContact O-N 3.16Å; I263-L267 HydrophobicContact CG1-CD1 4.26Å; I263-L267 HydrophobicContact CG1-CG 4.44Å; I263-L267 WeakPolarHBondContact O-CB 3.34Å; I263-L267 VanDerWaalsContact O-CG 3.29Å; I263-L267 WeakPolarHBondContact O-CG 3.49Å; I263-L267 PolarHBondContact O-N 3.23Å; I263-N315 PolarHBondContact N-OD1 2.77Å
264M92.4Very high90.5Very high0 Ų025 Ų250%014%0.135CC..Hα-helixtrans-70.4-38.9179.9-64.2-55.1-45.700113M258 A262 H266 L267 A268 L275 I278 N315 Y318 L319M258-M264 HydrophobicContact CE-CG 4.15Å; M258-M264 HydrophobicContact CE-SD 3.92Å; M258-M264 HydrophobicContact SD-SD 4.32Å; A262-M264 PolarHBondContact O-N 3.42Å; A262-M264 VanDerWaalsContact O-N 3.1Å; M264-H266 VanDerWaalsContact C-N 3.3Å; M264-H266 PolarHBondContact O-N 3.18Å; M264-L267 HydrophobicContact CE-CD1 4.32Å; M264-L267 PolarHBondContact O-N 3.03Å; M264-L267 HydrophobicContact SD-CD1 3.99Å; M264-A268 WeakPolarHBondContact O-CB 3.36Å; M264-A268 PolarHBondContact O-N 3.49Å; M264-L275 HydrophobicContact CE-CD2 3.37Å; M264-I278 HydrophobicContact CE-CD1 3.84Å; M264-I278 HydrophobicContact SD-CD1 4.27Å; M264-N315 HydrophobicContact CG-CB 3.78Å; M264-N315 PolarHBondContact N-OD1 3.34Å; M264-Y318 HydrophobicContact CB-CD1 3.47Å; M264-Y318 VanDerWaalsContact CB-CD1 3.47Å; M264-Y318 HydrophobicContact CB-CE1 4.08Å; M264-Y318 HydrophobicContact CB-CG 4.12Å; M264-Y318 HydrophobicContact CG-CD1 4.45Å; M264-L319 HydrophobicContact CE-CD1 4.5Å; M264-L319 HydrophobicContact CE-CD2 3.29Å; M264-L319 HydrophobicContact CE-CG 3.77Å; M264-L319 HydrophobicContact CG-CG 4.09Å; M264-L319 HydrophobicContact SD-CD1 4.1Å; M264-L319 HydrophobicContact SD-CD2 3.96Å; M264-L319 HydrophobicContact SD-CG 3.89Å
265T89.8Confident90Very high28 Ų2826.6 Ų26.617%0.17214%0.143CC..Hα-helixtrans-62.9-40.4172.7-54.50000110.7A262 A268 T269 Q384A262-T265 WeakPolarHBondContact O-CB 3.31Å; A262-T265 PolarHBondContact O-N 3.02Å; T265-A268 PolarHBondContact O-N 3.42Å; T265-T269 WeakPolarHBondContact O-CB 3.12Å; T265-T269 WeakPolarHBondContact O-CG2 3.24Å; T265-T269 PolarHBondContact O-N 3.44Å; T265-T269 PolarHBondContact O-OG1 2.89Å; T265-Q384 WeakPolarHBondContact OG1-CG 2.97Å; T265-Q384 PolarHBondContact OG1-NE2 3.4Å
266H89.3Confident89.6Confident5 Ų528.8 Ų28.82%0.02316%0.163CC..Hα-helixtrans-67.4-39.9176.5-65.6-51.8000112.6F217 A262 I263 M264 T269 L270F217-H266 HydrophobicContact CD1-CB 4.11Å; F217-H266 AromaticContact CD1-CD2 3.39Å; F217-H266 WeakPolarHBondContact CD1-CD2 3.37Å; F217-H266 AromaticContact CD1-CG 3.56Å; F217-H266 AromaticContact CD1-ND1 3.96Å; F217-H266 AromaticContact CD1-NE2 3.7Å; F217-H266 HydrophobicContact CE1-CB 3.82Å; F217-H266 AromaticContact CE1-CG 3.75Å; F217-H266 AromaticContact CG-CD2 3.63Å; F217-H266 HydrophobicContact CZ-CB 4.18Å; A262-H266 PolarHBondContact O-CD2 2.67Å; A262-H266 PolarHBondContact O-N 3.4Å; I263-H266 PolarHBondContact O-N 3.16Å; M264-H266 VanDerWaalsContact C-N 3.3Å; M264-H266 PolarHBondContact O-N 3.18Å; H266-T269 WeakPolarHBondContact CA-OG1 3.32Å; H266-T269 PolarHBondContact O-N 2.9Å; H266-T269 PolarHBondContact O-OG1 3.38Å; H266-L270 WeakPolarHBondContact O-CB 3.43Å; H266-L270 PolarHBondContact O-N 3.32Å
267L90Very high89.3Confident0 Ų028.6 Ų28.60%016%0.164CC..Hα-helixtrans-64.1-42.9174.5-73.9170.7000111.5L229 F233 I263 M264 T269 T271 R274 L275 I278L229-L267 HydrophobicContact CD1-CD2 4.02Å; L229-L267 HydrophobicContact CD2-CD2 3.94Å; L229-L267 HydrophobicContact CG-CD2 3.9Å; F233-L267 HydrophobicContact CB-CD2 4.44Å; F233-L267 HydrophobicContact CD2-CD1 3.89Å; F233-L267 HydrophobicContact CD2-CD2 4.14Å; F233-L267 HydrophobicContact CE2-CD1 3.74Å; F233-L267 HydrophobicContact CG-CD2 4.25Å; F233-L267 HydrophobicContact CZ-CD1 4.41Å; I263-L267 HydrophobicContact CG1-CD1 4.26Å; I263-L267 HydrophobicContact CG1-CG 4.44Å; I263-L267 WeakPolarHBondContact O-CB 3.34Å; I263-L267 VanDerWaalsContact O-CG 3.29Å; I263-L267 WeakPolarHBondContact O-CG 3.49Å; I263-L267 PolarHBondContact O-N 3.23Å; M264-L267 HydrophobicContact CE-CD1 4.32Å; M264-L267 PolarHBondContact O-N 3.03Å; M264-L267 HydrophobicContact SD-CD1 3.99Å; L267-T269 VanDerWaalsContact C-N 3.34Å; L267-T269 PolarHBondContact O-N 3.21Å; L267-T271 WeakPolarHBondContact CD2-OG1 3.42Å; L267-T271 CarbonylContact O-C 3.56Å; L267-T271 WeakPolarHBondContact O-CA 3.22Å; L267-T271 PolarHBondContact O-N 3.49Å; L267-T271 VanDerWaalsContact O-O 3.1Å; L267-T271 PolarHBondContact O-OG1 3.3Å; L267-R274 HydrophobicContact CD2-CB 4.43Å; L267-L275 HydrophobicContact CB-CD2 3.99Å; L267-I278 HydrophobicContact CD1-CD1 4.34Å
268A88.8Confident88.9Confident25 Ų2528.7 Ų28.721%0.20716%0.164CC..Hα-helixtrans-62.6-40177.700000112.8M264 T265 L275 Y318M264-A268 WeakPolarHBondContact O-CB 3.36Å; M264-A268 PolarHBondContact O-N 3.49Å; T265-A268 PolarHBondContact O-N 3.42Å; A268-L275 HydrophobicContact CB-CD1 3.82Å; A268-Y318 HydrophobicContact CB-CE1 4.2Å; A268-Y318 WeakPolarHBondContact CB-OH 3.05Å
269T87.5Confident88.6Confident97 Ų9734.5 Ų34.560%0.59519%0.192SC*.Hα-helixtrans-81.2-41-176.748.70000113.4T265 H266 L267T265-T269 WeakPolarHBondContact O-CB 3.12Å; T265-T269 WeakPolarHBondContact O-CG2 3.24Å; T265-T269 PolarHBondContact O-N 3.44Å; T265-T269 PolarHBondContact O-OG1 2.89Å; H266-T269 WeakPolarHBondContact CA-OG1 3.32Å; H266-T269 PolarHBondContact O-N 2.9Å; H266-T269 PolarHBondContact O-OG1 3.38Å; L267-T269 VanDerWaalsContact C-N 3.34Å; L267-T269 PolarHBondContact O-N 3.21Å
270L86.4Confident88.3Confident49 Ų4938.6 Ų38.626%0.25722%0.22SC..Hα-helixtrans-96.1-36.4-173.9-62.5173.1000113.2F217 P222 K226 L229 H266F217-L270 HydrophobicContact CE1-CD1 4.35Å; P222-L270 HydrophobicContact CB-CD1 4.39Å; P222-L270 HydrophobicContact CG-CD1 4.43Å; K226-L270 WeakPolarHBondContact CD-O 3.03Å; K226-L270 WeakPolarHBondContact CE-O 3.38Å; K226-L270 VanDerWaalsContact CG-O 3.3Å; K226-L270 WeakPolarHBondContact CG-O 3.38Å; L229-L270 HydrophobicContact CD2-CB 4.09Å; L229-L270 HydrophobicContact CD2-CD1 4.01Å; H266-L270 WeakPolarHBondContact O-CB 3.43Å; H266-L270 PolarHBondContact O-N 3.32Å
271T87Confident88.2Confident1 Ų141.3 Ų41.31%0.00623%0.233CC..  trans-140.763-169.455.90000112.4K226 L229 T230 L267 E273 R274K226-T271 HydrophobicContact CG-CG2 3.71Å; K226-T271 WeakPolarHBondContact O-CG2 3.18Å; L229-T271 HydrophobicContact CB-CG2 4.47Å; L229-T271 HydrophobicContact CD2-CG2 4.35Å; L229-T271 HydrophobicContact CG-CG2 4.44Å; T230-T271 WeakPolarHBondContact OG1-CG2 3.44Å; L267-T271 WeakPolarHBondContact CD2-OG1 3.42Å; L267-T271 CarbonylContact O-C 3.56Å; L267-T271 WeakPolarHBondContact O-CA 3.22Å; L267-T271 PolarHBondContact O-N 3.49Å; L267-T271 VanDerWaalsContact O-O 3.1Å; L267-T271 PolarHBondContact O-OG1 3.3Å; T271-E273 PolarHBondContact O-N 3.06Å; T271-E273 VanDerWaalsContact O-N 3.14Å; T271-R274 PolarHBondContact O-N 2.88Å
272P86.5Confident88.3Confident71 Ų7145.9 Ų45.946%0.46125%0.254SS..Hα-helixtrans-59.2-29.9-176.523.7-34.4000112.9R274 L275P272-R274 PolarHBondContact O-N 3.31Å; P272-R274 VanDerWaalsContact O-N 3.11Å; P272-L275 WeakPolarHBondContact O-CB 3.35Å; P272-L275 PolarHBondContact O-N 3.48Å
273E87.2Confident88.4Confident124 Ų12446 Ų4658%0.57926%0.255SS*.Hα-helixtrans-54.3-30.2174-62161.2-13300113.2K226 T271K226-E273 IonicContact NZ-OE1 2.79Å; K226-E273 PolarHBondContact NZ-OE1 3.24Å; T271-E273 PolarHBondContact O-N 3.06Å; T271-E273 VanDerWaalsContact O-N 3.14Å
274R86.3Confident88.5Confident70 Ų7046 Ų4626%0.26426%0.255SS..Hα-helixtrans-78.6-21.6178.5-65-60.1177.5-169.6-7113.2F233 S234 L267 T271 P272 A276 V277 I278F233-R274 HydrophobicContact CD1-CB 4.17Å; F233-R274 HydrophobicContact CD1-CG 4.43Å; F233-R274 HydrophobicContact CE1-CB 4.48Å; S234-R274 PolarHBondContact OG-NH2 2.83Å; L267-R274 HydrophobicContact CD2-CB 4.43Å; T271-R274 PolarHBondContact O-N 2.88Å; P272-R274 PolarHBondContact O-N 3.31Å; P272-R274 VanDerWaalsContact O-N 3.11Å; R274-A276 VanDerWaalsContact C-N 3.34Å; R274-V277 WeakPolarHBondContact O-CB 3.48Å; R274-V277 PolarHBondContact O-N 3.03Å; R274-I278 WeakPolarHBondContact O-CG1 3.39Å; R274-I278 PolarHBondContact O-N 3.39Å
275L85Confident88.7Confident33 Ų3349.4 Ų49.417%0.17327%0.268CS..Hα-helixtrans-66.3-38.6171.4-62.6-178.7000111.3M264 L267 A268 P272 V277 I278 E279 L322M264-L275 HydrophobicContact CE-CD2 3.37Å; L267-L275 HydrophobicContact CB-CD2 3.99Å; A268-L275 HydrophobicContact CB-CD1 3.82Å; P272-L275 WeakPolarHBondContact O-CB 3.35Å; P272-L275 PolarHBondContact O-N 3.48Å; L275-V277 PolarHBondContact O-N 3.27Å; L275-I278 HydrophobicContact CD2-CD1 4.07Å; L275-I278 WeakPolarHBondContact O-CB 3.23Å; L275-I278 PolarHBondContact O-N 2.76Å; L275-E279 PolarHBondContact O-N 3.34Å; L275-L322 HydrophobicContact CD1-CD1 4.2Å
276A85.4Confident88.9Confident56 Ų5650.9 Ų50.946%0.46327%0.272SS..Hα-helixtrans-60.6-32.4174.400000112.2R274 E279 S280R274-A276 VanDerWaalsContact C-N 3.34Å; A276-E279 PolarHBondContact O-N 2.77Å; A276-S280 WeakPolarHBondContact O-CB 3.02Å; A276-S280 PolarHBondContact O-N 3.23Å; A276-S280 PolarHBondContact O-OG 3.17Å
277V87.3Confident89.2Confident36 Ų3650.7 Ų50.722%0.21827%0.271CS..Hα-helixtrans-67.9-39.7174.4-179.70000111.2L237 R274 L275 E279 S280 H281L237-V277 HydrophobicContact CD2-CG1 3.57Å; R274-V277 WeakPolarHBondContact O-CB 3.48Å; R274-V277 PolarHBondContact O-N 3.03Å; L275-V277 PolarHBondContact O-N 3.27Å; V277-E279 VanDerWaalsContact C-N 3.32Å; V277-E279 PolarHBondContact O-N 3.29Å; V277-S280 WeakPolarHBondContact CA-OG 3.41Å; V277-S280 PolarHBondContact O-N 3.22Å; V277-S280 PolarHBondContact O-OG 3.27Å; V277-H281 PolarHBondContact O-CD2 3.42Å; V277-H281 PolarHBondContact O-N 3.16Å
278I87.2Confident89.4Confident4 Ų450.7 Ų50.72%0.02127%0.271CS..Hα-helixtrans-60.8-44.6175.9-63.6176.4000110.6F233 M264 L267 R274 L275 E282 L283 L319F233-I278 HydrophobicContact CE1-CD1 4.33Å; F233-I278 HydrophobicContact CE1-CG1 4Å; F233-I278 HydrophobicContact CE2-CD1 4.28Å; F233-I278 HydrophobicContact CZ-CD1 3.62Å; F233-I278 HydrophobicContact CZ-CG1 3.6Å; M264-I278 HydrophobicContact CE-CD1 3.84Å; M264-I278 HydrophobicContact SD-CD1 4.27Å; L267-I278 HydrophobicContact CD1-CD1 4.34Å; R274-I278 WeakPolarHBondContact O-CG1 3.39Å; R274-I278 PolarHBondContact O-N 3.39Å; L275-I278 HydrophobicContact CD2-CD1 4.07Å; L275-I278 WeakPolarHBondContact O-CB 3.23Å; L275-I278 PolarHBondContact O-N 2.76Å; I278-E282 PolarHBondContact O-N 3.17Å; I278-L283 HydrophobicContact CB-CD1 4.26Å; I278-L283 HydrophobicContact CG1-CD1 4.09Å; I278-L283 HydrophobicContact CG2-CB 3.82Å; I278-L283 HydrophobicContact CG2-CD1 4.15Å; I278-L283 PolarHBondContact O-N 3.18Å; I278-L283 VanDerWaalsContact O-N 3.12Å; I278-L319 HydrophobicContact CD1-CD2 4.46Å; I278-L319 HydrophobicContact CG2-CD2 3.84Å
279E87Confident89.7Confident123 Ų12352.6 Ų52.658%0.57528%0.277SS*.Hα-helixtrans-65.1-48.6177.4-171.2178.9-177.500111.4L275 A276 V277 H281 E282L275-E279 PolarHBondContact O-N 3.34Å; A276-E279 PolarHBondContact O-N 2.77Å; V277-E279 VanDerWaalsContact C-N 3.32Å; V277-E279 PolarHBondContact O-N 3.29Å; E279-H281 PolarHBondContact O-N 2.89Å; E279-H281 VanDerWaalsContact O-N 3.1Å; E279-E282 PolarHBondContact O-N 3.22Å
280S88.4Confident90.1Very high86 Ų8648.5 Ų48.560%0.60125%0.251SS*.Hα-helixtrans-59.3-27.3-179.772.40000114.2A276 V277A276-S280 WeakPolarHBondContact O-CB 3.02Å; A276-S280 PolarHBondContact O-N 3.23Å; A276-S280 PolarHBondContact O-OG 3.17Å; V277-S280 WeakPolarHBondContact CA-OG 3.41Å; V277-S280 PolarHBondContact O-N 3.22Å; V277-S280 PolarHBondContact O-OG 3.27Å
281H90.2Very high90.6Very high58 Ų5846.3 Ų46.327%0.26924%0.24SC..THydrogen-bonded Turntrans-97.64.5177.7-75.6-49.6000113.5F245 V277 E279 L283 K286F245-H281 HydrophobicContact CE1-CB 4.36Å; F245-H281 HydrophobicContact CZ-CB 3.97Å; V277-H281 PolarHBondContact O-CD2 3.42Å; V277-H281 PolarHBondContact O-N 3.16Å; E279-H281 PolarHBondContact O-N 2.89Å; E279-H281 VanDerWaalsContact O-N 3.1Å; H281-L283 HydrophobicContact CB-CG 4.13Å; H281-L283 PolarHBondContact O-N 3.42Å; H281-L283 VanDerWaalsContact O-N 3.16Å; H281-K286 PolarHBondContact O-NZ 3.35Å
282E91.6Very high90.9Very high96 Ų9648.1 Ų48.145%0.44925%0.253SS..THydrogen-bonded Turntrans47.739.9-176.3-59.5-169.2137.600112.8I278 E279 F284 R285 K286I278-E282 PolarHBondContact O-N 3.17Å; E279-E282 PolarHBondContact O-N 3.22Å; E282-F284 PolarHBondContact O-N 3.39Å; E282-R285 HydrophobicContact CB-CB 4.35Å; E282-R285 PolarHBondContact O-N 3.32Å; E282-K286 PolarHBondContact O-N 3.08Å
283L92Very high91.3Very high2 Ų251 Ų511%0.0125%0.254CS..Hα-helixtrans-60.6-36.6-174.6-81.1180000112L237 F245 I278 H281 K286 F287L237-L283 HydrophobicContact CD1-CD1 3.84Å; L237-L283 HydrophobicContact CD1-CD2 4.3Å; F245-L283 HydrophobicContact CD1-CD2 3.94Å; F245-L283 HydrophobicContact CE1-CD2 3.51Å; I278-L283 HydrophobicContact CB-CD1 4.26Å; I278-L283 HydrophobicContact CG1-CD1 4.09Å; I278-L283 HydrophobicContact CG2-CB 3.82Å; I278-L283 HydrophobicContact CG2-CD1 4.15Å; I278-L283 PolarHBondContact O-N 3.18Å; I278-L283 VanDerWaalsContact O-N 3.12Å; H281-L283 HydrophobicContact CB-CG 4.13Å; H281-L283 PolarHBondContact O-N 3.42Å; H281-L283 VanDerWaalsContact O-N 3.16Å; L283-K286 PolarHBondContact O-N 3.32Å; L283-F287 HydrophobicContact CB-CD2 4.46Å; L283-F287 HydrophobicContact CB-CE2 3.88Å; L283-F287 HydrophobicContact CB-CZ 3.97Å; L283-F287 HydrophobicContact CD1-CZ 4.28Å; L283-F287 HydrophobicContact CD2-CE1 4.13Å; L283-F287 HydrophobicContact CD2-CZ 3.92Å; L283-F287 HydrophobicContact CG-CZ 4.3Å; L283-F287 WeakPolarHBondContact O-CB 3.38Å; L283-F287 VanDerWaalsContact O-CD2 3.23Å; L283-F287 WeakPolarHBondContact O-CD2 3.37Å; L283-F287 WeakPolarHBondContact O-CG 3.27Å; L283-F287 PolarHBondContact O-N 2.85Å
284F94.2Very high91.4Very high3 Ų349.7 Ų49.71%0.01325%0.248CC..Hα-helixtrans-58.8-50.3177179.4-121000111.5E282 K286 F287 I288 L319 G320 N323 V326 L327 F334E282-F284 PolarHBondContact O-N 3.39Å; F284-K286 VanDerWaalsContact C-N 3.32Å; F284-K286 PolarHBondContact O-N 3.48Å; F284-F287 PolarHBondContact O-N 2.95Å; F284-I288 HydrophobicContact CD2-CD1 4.5Å; F284-I288 HydrophobicContact CD2-CG1 4.06Å; F284-I288 HydrophobicContact CE1-CG1 4.49Å; F284-I288 HydrophobicContact CE2-CD1 3.88Å; F284-I288 HydrophobicContact CE2-CG1 3.67Å; F284-I288 HydrophobicContact CZ-CD1 4.35Å; F284-I288 HydrophobicContact CZ-CG1 3.89Å; F284-I288 WeakPolarHBondContact O-CG1 3.35Å; F284-I288 PolarHBondContact O-N 3.03Å; F284-L319 HydrophobicContact CD2-CB 3.84Å; F284-L319 HydrophobicContact CE2-CB 4.35Å; F284-L319 HydrophobicContact CG-CB 4.49Å; F284-G320 VanDerWaalsContact CZ-CA 3.45Å; F284-N323 HydrophobicContact CD1-CB 3.96Å; F284-V326 HydrophobicContact CD1-CB 3.84Å; F284-V326 HydrophobicContact CD1-CG1 3.49Å; F284-V326 VanDerWaalsContact CD1-CG1 3.49Å; F284-V326 HydrophobicContact CE1-CB 4.24Å; F284-V326 HydrophobicContact CE1-CG1 3.92Å; F284-L327 HydrophobicContact CE1-CB 4.39Å; F284-L327 HydrophobicContact CZ-CD1 4.42Å; F284-F334 HydrophobicContact CE2-CD2 4.03Å; F284-F334 AromaticContact CE2-CE2 3.98Å; F284-F334 HydrophobicContact CE2-CE2 3.98Å; F284-F334 AromaticContact CZ-CD2 3.66Å; F284-F334 HydrophobicContact CZ-CD2 3.66Å; F284-F334 AromaticContact CZ-CE2 3.82Å; F284-F334 HydrophobicContact CZ-CE2 3.82Å
285R95.1Very high91.7Very high70 Ų7050.2 Ų50.226%0.26427%0.267SS..Hα-helixtrans-55.9-47176.5-167.3180-163.8149.918.6111.4E282 F287 I288 L289 V326 E329 E330E282-R285 HydrophobicContact CB-CB 4.35Å; E282-R285 PolarHBondContact O-N 3.32Å; R285-F287 PolarHBondContact O-N 3.47Å; R285-I288 PolarHBondContact O-N 3.05Å; R285-L289 HydrophobicContact CG-CD1 3.98Å; R285-L289 HydrophobicContact CG-CG 4.42Å; R285-L289 WeakPolarHBondContact O-CB 3.23Å; R285-L289 WeakPolarHBondContact O-CG 3.47Å; R285-L289 PolarHBondContact O-N 3.24Å; R285-V326 HydrophobicContact CB-CG1 3.69Å; R285-V326 HydrophobicContact CG-CG1 4.12Å; R285-E329 IonicContact CZ-OE2 2.88Å; R285-E329 IonicContact NH1-OE2 3.61Å; R285-E329 PolarHBondContact NH1-OE2 2.98Å; R285-E329 IonicContact NH2-OE2 2.68Å; R285-E329 PolarHBondContact NH2-OE2 3.14Å; R285-E330 HydrophobicContact CG-CG 4.21Å; R285-E330 IonicContact CZ-OE1 3.53Å; R285-E330 IonicContact NE-OE1 3.98Å; R285-E330 PolarHBondContact NE-OE1 3.44Å; R285-E330 IonicContact NH2-OE1 3.36Å; R285-E330 PolarHBondContact NH2-OE1 3.01Å
286K94.9Very high92Very high59 Ų5950.7 Ų50.726%0.25727%0.269SS..Hα-helixtrans-63.5-40.9-179.9-69.7171.2-179.6156.40112.6F245 H281 E282 L283 F284 F290F245-K286 HydrophobicContact CB-CD 4.16Å; F245-K286 HydrophobicContact CD1-CD 3.65Å; F245-K286 HydrophobicContact CD2-CD 4.14Å; F245-K286 VanDerWaalsContact CD2-NZ 3.28Å; F245-K286 HydrophobicContact CE1-CD 4.07Å; F245-K286 HydrophobicContact CG-CD 3.7Å; F245-K286 HydrophobicContact CZ-CD 4.49Å; H281-K286 PolarHBondContact O-NZ 3.35Å; E282-K286 PolarHBondContact O-N 3.08Å; L283-K286 PolarHBondContact O-N 3.32Å; F284-K286 VanDerWaalsContact C-N 3.32Å; F284-K286 PolarHBondContact O-N 3.48Å; K286-F290 VanDerWaalsContact O-CB 3.24Å; K286-F290 WeakPolarHBondContact O-CB 3.47Å; K286-F290 PolarHBondContact O-N 3.41Å
287F95.4Very high92.4Very high2 Ų248.1 Ų48.11%0.00925%0.248CC..Hα-helixtrans-64.8-43.6176.4-62.5-27000111.6L250 F253 L254 M258 L283 F284 R285 F290 L291 L316 L319L250-F287 HydrophobicContact CD2-CD1 4.15Å; L250-F287 HydrophobicContact CD2-CE1 3.84Å; F253-F287 HydrophobicContact CD1-CE1 4.08Å; F253-F287 AromaticContact CD1-CZ 3.69Å; F253-F287 HydrophobicContact CD1-CZ 3.69Å; F253-F287 HydrophobicContact CE1-CE2 4.43Å; F253-F287 AromaticContact CE1-CZ 3.69Å; F253-F287 HydrophobicContact CE1-CZ 3.69Å; L254-F287 HydrophobicContact CD1-CD1 4.49Å; L254-F287 HydrophobicContact CD2-CB 4.27Å; L254-F287 HydrophobicContact CD2-CD1 3.87Å; L254-F287 HydrophobicContact CD2-CD2 4.39Å; L254-F287 HydrophobicContact CD2-CE1 4.31Å; L254-F287 HydrophobicContact CD2-CG 3.93Å; L254-F287 HydrophobicContact CG-CD1 4.23Å; M258-F287 HydrophobicContact CE-CE2 4.46Å; M258-F287 HydrophobicContact CG-CE2 4.24Å; M258-F287 HydrophobicContact CG-CZ 4.4Å; M258-F287 HydrophobicContact SD-CE2 4.29Å; L283-F287 HydrophobicContact CB-CD2 4.46Å; L283-F287 HydrophobicContact CB-CE2 3.88Å; L283-F287 HydrophobicContact CB-CZ 3.97Å; L283-F287 HydrophobicContact CD1-CZ 4.28Å; L283-F287 HydrophobicContact CD2-CE1 4.13Å; L283-F287 HydrophobicContact CD2-CZ 3.92Å; L283-F287 HydrophobicContact CG-CZ 4.3Å; L283-F287 WeakPolarHBondContact O-CB 3.38Å; L283-F287 VanDerWaalsContact O-CD2 3.23Å; L283-F287 WeakPolarHBondContact O-CD2 3.37Å; L283-F287 WeakPolarHBondContact O-CG 3.27Å; L283-F287 PolarHBondContact O-N 2.85Å; F284-F287 PolarHBondContact O-N 2.95Å; R285-F287 PolarHBondContact O-N 3.47Å; F287-F290 PolarHBondContact O-N 2.89Å; F287-L291 WeakPolarHBondContact O-CB 3.49Å; F287-L291 VanDerWaalsContact O-CG 3.3Å; F287-L291 WeakPolarHBondContact O-CG 3.09Å; F287-L291 PolarHBondContact O-N 3.42Å; F287-L316 HydrophobicContact CB-CD2 4.19Å; F287-L316 HydrophobicContact CD2-CD2 4.43Å; F287-L319 HydrophobicContact CD2-CD1 4.37Å; F287-L319 HydrophobicContact CE2-CD1 4.42Å
288I95.2Very high92.7Very high0 Ų053.5 Ų53.50%026%0.264CS..Hα-helixtrans-66.1-44.1178.8-63.8-50.4000111.6F284 R285 F290 L291 S292 L316 E330 H333 F334F284-I288 HydrophobicContact CD2-CD1 4.5Å; F284-I288 HydrophobicContact CD2-CG1 4.06Å; F284-I288 HydrophobicContact CE1-CG1 4.49Å; F284-I288 HydrophobicContact CE2-CD1 3.88Å; F284-I288 HydrophobicContact CE2-CG1 3.67Å; F284-I288 HydrophobicContact CZ-CD1 4.35Å; F284-I288 HydrophobicContact CZ-CG1 3.89Å; F284-I288 WeakPolarHBondContact O-CG1 3.35Å; F284-I288 PolarHBondContact O-N 3.03Å; R285-I288 PolarHBondContact O-N 3.05Å; I288-F290 VanDerWaalsContact C-N 3.35Å; I288-F290 PolarHBondContact O-N 3.25Å; I288-L291 PolarHBondContact O-N 3.11Å; I288-S292 VanDerWaalsContact O-CB 3.28Å; I288-S292 WeakPolarHBondContact O-CB 3.36Å; I288-S292 PolarHBondContact O-N 2.88Å; I288-L316 HydrophobicContact CD1-CD2 4.49Å; I288-E330 HydrophobicContact CG2-CB 4.47Å; I288-H333 HydrophobicContact CG2-CB 3.54Å; I288-F334 HydrophobicContact CD1-CD2 3.66Å; I288-F334 HydrophobicContact CD1-CE2 4.39Å; I288-F334 HydrophobicContact CG1-CD2 4.21Å; I288-F334 HydrophobicContact CG2-CB 4.32Å
289L94.9Very high92.9Very high65 Ų6556.6 Ų56.634%0.3428%0.28SS..Hα-helixtrans-68.7-30.9177.7-68176.8000113.5R285 S292R285-L289 HydrophobicContact CG-CD1 3.98Å; R285-L289 HydrophobicContact CG-CG 4.42Å; R285-L289 WeakPolarHBondContact O-CB 3.23Å; R285-L289 WeakPolarHBondContact O-CG 3.47Å; R285-L289 PolarHBondContact O-N 3.24Å; L289-S292 PolarHBondContact O-OG 2.99Å
290F95.7Very high93.3Very high11 Ų1150.7 Ų50.75%0.04825%0.253CS..Hα-helixtrans-69.4-50.1172.4177-92.8000110.6D247 L250 R251 L254 K286 F287 I288 S292 R293 Q296 V300D247-F290 HydrophobicContact CB-CD2 4.39Å; D247-F290 HydrophobicContact CB-CE2 3.83Å; L250-F290 HydrophobicContact CB-CD2 4.44Å; L250-F290 HydrophobicContact CD1-CD2 4.42Å; R251-F290 HydrophobicContact CB-CE1 4.45Å; R251-F290 HydrophobicContact CB-CZ 3.88Å; L254-F290 HydrophobicContact CD1-CD1 3.53Å; L254-F290 HydrophobicContact CD1-CE1 3.78Å; K286-F290 VanDerWaalsContact O-CB 3.24Å; K286-F290 WeakPolarHBondContact O-CB 3.47Å; K286-F290 PolarHBondContact O-N 3.41Å; F287-F290 PolarHBondContact O-N 2.89Å; I288-F290 VanDerWaalsContact C-N 3.35Å; I288-F290 PolarHBondContact O-N 3.25Å; F290-S292 VanDerWaalsContact C-N 3.31Å; F290-S292 PolarHBondContact O-N 2.81Å; F290-R293 PolarHBondContact O-N 2.9Å; F290-Q296 HydrophobicContact CE1-CB 4.11Å; F290-Q296 HydrophobicContact CE2-CB 4.45Å; F290-Q296 VanDerWaalsContact CE2-CD 3.48Å; F290-Q296 HydrophobicContact CE2-CG 4.33Å; F290-Q296 HydrophobicContact CZ-CB 4.02Å; F290-Q296 HydrophobicContact CZ-CG 4.28Å; F290-Q296 PolarHBondContact O-OE1 3.29Å; F290-V300 HydrophobicContact CE1-CG2 4.17Å
291L95.5Very high93.5Very high2 Ų246.8 Ų46.81%0.0123%0.225CC..Hα-helixtrans-73.4-18.5-178.7-67.4172.3000113.4L254 F287 I288 R293 C297 V300 L316 V337L254-L291 HydrophobicContact CD1-CD1 4.39Å; L254-L291 HydrophobicContact CD1-CD2 4.11Å; L254-L291 HydrophobicContact CD1-CG 4.15Å; L254-L291 HydrophobicContact CD2-CD1 4.43Å; F287-L291 WeakPolarHBondContact O-CB 3.49Å; F287-L291 VanDerWaalsContact O-CG 3.3Å; F287-L291 WeakPolarHBondContact O-CG 3.09Å; F287-L291 PolarHBondContact O-N 3.42Å; I288-L291 PolarHBondContact O-N 3.11Å; L291-R293 PolarHBondContact O-N 3.45Å; L291-C297 HydrophobicContact CD2-CB 4.47Å; L291-C297 VanDerWaalsContact O-CB 3.27Å; L291-C297 WeakPolarHBondContact O-CB 3.45Å; L291-V300 HydrophobicContact CD2-CB 4.43Å; L291-V300 HydrophobicContact CD2-CG2 4.32Å; L291-L316 HydrophobicContact CD1-CD1 3.64Å; L291-V337 VanDerWaalsContact C-CG2 3.49Å; L291-V337 HydrophobicContact CB-CB 4.42Å; L291-V337 HydrophobicContact CB-CG1 3.78Å; L291-V337 HydrophobicContact CB-CG2 3.65Å; L291-V337 HydrophobicContact CD1-CG1 4.02Å
292S94.8Very high93.5Very high40 Ų4048.1 Ų48.128%0.2824%0.237SC..THydrogen-bonded Turntrans-66.7-19.7176.868.20000112.5I288 L289 F290 E294I288-S292 VanDerWaalsContact O-CB 3.28Å; I288-S292 WeakPolarHBondContact O-CB 3.36Å; I288-S292 PolarHBondContact O-N 2.88Å; L289-S292 PolarHBondContact O-OG 2.99Å; F290-S292 VanDerWaalsContact C-N 3.31Å; F290-S292 PolarHBondContact O-N 2.81Å; S292-E294 PolarHBondContact O-N 3.12Å
293R94.9Very high93.5Very high130 Ų13046.4 Ų46.449%0.49124%0.236SC..SBendtrans-76.8110.5171.1-57.9179.5-170.1160.90.8109.4D247 F290 L291 A295 Q296 C297D247-R293 IonicContact OD2-NH1 3.05Å; D247-R293 PolarHBondContact OD2-NH1 2.86Å; F290-R293 PolarHBondContact O-N 2.9Å; L291-R293 PolarHBondContact O-N 3.45Å; R293-A295 VanDerWaalsContact C-N 3.28Å; R293-A295 PolarHBondContact O-N 2.78Å; R293-A295 VanDerWaalsContact O-N 3.13Å; R293-Q296 HydrophobicContact CB-CB 4.29Å; R293-Q296 HydrophobicContact CB-CG 4.2Å; R293-Q296 PolarHBondContact O-N 3.16Å; R293-C297 PolarHBondContact O-N 3.2Å
294E89.1Confident93.3Very high98 Ų9846.7 Ų46.746%0.45824%0.237SC..Hα-helixtrans-52.5-42.6-172-165.1-168157.200113.6S292 Q296 C297 R298S292-E294 PolarHBondContact O-N 3.12Å; E294-Q296 VanDerWaalsContact C-N 3.34Å; E294-Q296 PolarHBondContact O-N 2.93Å; E294-C297 PolarHBondContact O-N 3.01Å; E294-R298 WeakPolarHBondContact O-CB 3.37Å; E294-R298 PolarHBondContact O-N 3.3Å; E294-R298 IonicContact OE1-CZ 2.65Å; E294-R298 IonicContact OE1-NH2 3.49Å; E294-R298 PolarHBondContact OE1-NH2 2.87Å
295A91.5Very high92.9Very high81 Ų8150.1 Ų50.167%0.66925%0.253SS*.Hα-helixtrans-61.6-40.4178.900000112.8R293 D299R293-A295 VanDerWaalsContact C-N 3.28Å; R293-A295 PolarHBondContact O-N 2.78Å; R293-A295 VanDerWaalsContact O-N 3.13Å; A295-D299 WeakPolarHBondContact O-CB 3.35Å; A295-D299 PolarHBondContact O-N 3.13Å; A295-D299 VanDerWaalsContact O-N 3.14Å
296Q92.7Very high92.4Very high42 Ų4246.8 Ų46.820%0.19624%0.24CC..Hα-helixtrans-72.8-42.2179.8-64.7-175.2-1800111D247 F290 R293 E294 D299 V300D247-Q296 PolarHBondContact OD2-NE2 2.83Å; F290-Q296 HydrophobicContact CE1-CB 4.11Å; F290-Q296 HydrophobicContact CE2-CB 4.45Å; F290-Q296 VanDerWaalsContact CE2-CD 3.48Å; F290-Q296 HydrophobicContact CE2-CG 4.33Å; F290-Q296 HydrophobicContact CZ-CB 4.02Å; F290-Q296 HydrophobicContact CZ-CG 4.28Å; F290-Q296 PolarHBondContact O-OE1 3.29Å; R293-Q296 HydrophobicContact CB-CB 4.29Å; R293-Q296 HydrophobicContact CB-CG 4.2Å; R293-Q296 PolarHBondContact O-N 3.16Å; E294-Q296 VanDerWaalsContact C-N 3.34Å; E294-Q296 PolarHBondContact O-N 2.93Å; Q296-D299 PolarHBondContact O-N 3.49Å; Q296-V300 WeakPolarHBondContact O-CG2 3.28Å; Q296-V300 PolarHBondContact O-N 3.38Å
297C93.2Very high92Very high3 Ų344.3 Ų44.32%0.0223%0.231CC..Hα-helixtrans-60.4-46.5175.7-170.80000112.1L291 R293 E294 D299 V300 C301L291-C297 HydrophobicContact CD2-CB 4.47Å; L291-C297 VanDerWaalsContact O-CB 3.27Å; L291-C297 WeakPolarHBondContact O-CB 3.45Å; R293-C297 PolarHBondContact O-N 3.2Å; E294-C297 PolarHBondContact O-N 3.01Å; C297-D299 PolarHBondContact O-N 3.14Å; C297-V300 PolarHBondContact O-N 3.11Å; C297-C301 PolarHBondContact O-N 3.04Å; C297-C301 PolarHBondContact O-SG 3.45Å
298R92.3Very high91.7Very high149 Ų14946.5 Ų46.556%0.56224%0.241SC*.Hα-helixtrans-61-45.2178.7-171.4-177.5-64.4-163.72.5111.5E294 C301 V302E294-R298 WeakPolarHBondContact O-CB 3.37Å; E294-R298 PolarHBondContact O-N 3.3Å; E294-R298 IonicContact OE1-CZ 2.65Å; E294-R298 IonicContact OE1-NH2 3.49Å; E294-R298 PolarHBondContact OE1-NH2 2.87Å; R298-C301 PolarHBondContact O-N 3.1Å; R298-V302 HydrophobicContact CG-CG2 4.46Å; R298-V302 WeakPolarHBondContact O-CB 3.45Å; R298-V302 VanDerWaalsContact O-CG2 3.24Å; R298-V302 WeakPolarHBondContact O-CG2 3.47Å; R298-V302 PolarHBondContact O-N 2.71Å
299D93.1Very high91.7Very high68 Ų6846.5 Ų46.536%0.36424%0.241SC..Hα-helixtrans-60.1-44.4177.1175.471.6000112.3R251 A295 Q296 C297 V302 C303R251-D299 IonicContact CZ-OD2 3.23Å; R251-D299 IonicContact NE-OD2 3.71Å; R251-D299 PolarHBondContact NE-OD2 3.44Å; R251-D299 IonicContact NH2-OD1 2.83Å; R251-D299 PolarHBondContact NH2-OD1 3.12Å; R251-D299 IonicContact NH2-OD2 3.04Å; R251-D299 PolarHBondContact NH2-OD2 3.1Å; A295-D299 WeakPolarHBondContact O-CB 3.35Å; A295-D299 PolarHBondContact O-N 3.13Å; A295-D299 VanDerWaalsContact O-N 3.14Å; Q296-D299 PolarHBondContact O-N 3.49Å; C297-D299 PolarHBondContact O-N 3.14Å; D299-V302 PolarHBondContact O-N 3.22Å; D299-C303 PolarHBondContact O-N 3.29Å; D299-C303 VanDerWaalsContact O-N 3.12Å; D299-C303 PolarHBondContact O-SG 3.3Å
300V93.9Very high91.5Very high0 Ų043.4 Ų43.40%022%0.224CC..Hα-helixtrans-61.8-47175.4171.50000111.5R251 I255 F290 L291 Q296 C297 V302 C303 L304 L312R251-V300 HydrophobicContact CG-CG2 4.31Å; I255-V300 HydrophobicContact CD1-CG2 4.48Å; I255-V300 HydrophobicContact CG1-CG1 4.09Å; I255-V300 HydrophobicContact CG1-CG2 4.39Å; F290-V300 HydrophobicContact CE1-CG2 4.17Å; L291-V300 HydrophobicContact CD2-CB 4.43Å; L291-V300 HydrophobicContact CD2-CG2 4.32Å; Q296-V300 WeakPolarHBondContact O-CG2 3.28Å; Q296-V300 PolarHBondContact O-N 3.38Å; C297-V300 PolarHBondContact O-N 3.11Å; V300-V302 PolarHBondContact O-N 3.03Å; V300-C303 PolarHBondContact O-N 3.43Å; V300-L304 HydrophobicContact CG1-CD1 3.86Å; V300-L304 HydrophobicContact CG1-CG 4.46Å; V300-L304 WeakPolarHBondContact O-CG 3.41Å; V300-L304 PolarHBondContact O-N 3.25Å; V300-L304 VanDerWaalsContact O-N 3.11Å; V300-L312 HydrophobicContact CG1-CD2 3.8Å
301C92.9Very high91.4Very high3 Ų342.9 Ų42.92%0.0222%0.222CC..Hα-helixtrans-62.8-41.7-179.9-65.40000112.1C297 R298 C303 L304 E305 T309 Y344C297-C301 PolarHBondContact O-N 3.04Å; C297-C301 PolarHBondContact O-SG 3.45Å; R298-C301 PolarHBondContact O-N 3.1Å; C301-C303 VanDerWaalsContact C-N 3.29Å; C301-C303 PolarHBondContact O-N 3.43Å; C301-L304 PolarHBondContact O-N 3.49Å; C301-E305 PolarHBondContact O-N 3.1Å; C301-T309 HydrophobicContact CB-CG2 4.32Å; C301-T309 PolarHBondContact O-OG1 3.28Å; C301-Y344 HydrophobicContact CB-CD1 3.6Å; C301-Y344 HydrophobicContact CB-CD2 3.87Å; C301-Y344 HydrophobicContact CB-CE1 3.84Å; C301-Y344 HydrophobicContact CB-CE2 4.1Å; C301-Y344 HydrophobicContact CB-CG 3.62Å; C301-Y344 WeakPolarHBondContact O-CE1 3.08Å; C301-Y344 PolarHBondContact O-OH 3.32Å
302V91.6Very high91.4Very high86 Ų8642.8 Ų42.852%0.52122%0.222SC..Hα-helixtrans-61.6-37.9176.3170.80000111.7R298 D299 V300 Y344R298-V302 HydrophobicContact CG-CG2 4.46Å; R298-V302 WeakPolarHBondContact O-CB 3.45Å; R298-V302 VanDerWaalsContact O-CG2 3.24Å; R298-V302 WeakPolarHBondContact O-CG2 3.47Å; R298-V302 PolarHBondContact O-N 2.71Å; D299-V302 PolarHBondContact O-N 3.22Å; V300-V302 PolarHBondContact O-N 3.03Å; V302-Y344 WeakPolarHBondContact CA-OH 3.37Å; V302-Y344 HydrophobicContact CG2-CE2 3.89Å
303C91.5Very high91.5Very high61 Ų6140.9 Ų40.941%0.41221%0.208SC..Hα-helixtrans-71.2-30.9177.1-66.70000113.7R251 I255 D299 V300 C301R251-C303 PolarHBondContact NH2-SG 2.62Å; I255-C303 HydrophobicContact CD1-CB 3.86Å; I255-C303 HydrophobicContact CG1-CB 4.44Å; D299-C303 PolarHBondContact O-N 3.29Å; D299-C303 VanDerWaalsContact O-N 3.12Å; D299-C303 PolarHBondContact O-SG 3.3Å; V300-C303 PolarHBondContact O-N 3.43Å; C301-C303 VanDerWaalsContact C-N 3.29Å; C301-C303 PolarHBondContact O-N 3.43Å
304L86.8Confident91.5Very high7 Ų734.7 Ų34.74%0.03719%0.185CC..Hα-helixtrans-88.1-21.7-175.3-73.5180000113.8I255 V300 C301 H308 L312I255-L304 HydrophobicContact CB-CD2 4.37Å; I255-L304 HydrophobicContact CG2-CD2 3.98Å; I255-L304 VanDerWaalsContact O-CD2 3.31Å; I255-L304 WeakPolarHBondContact O-CD2 3.3Å; V300-L304 HydrophobicContact CG1-CD1 3.86Å; V300-L304 HydrophobicContact CG1-CG 4.46Å; V300-L304 WeakPolarHBondContact O-CG 3.41Å; V300-L304 PolarHBondContact O-N 3.25Å; V300-L304 VanDerWaalsContact O-N 3.11Å; C301-L304 PolarHBondContact O-N 3.49Å; L304-H308 HydrophobicContact CB-CB 4.06Å; L304-H308 HydrophobicContact CD2-CB 4.06Å; L304-H308 WeakPolarHBondContact O-CB 3.11Å; L304-L312 HydrophobicContact CD1-CB 4.09Å; L304-L312 HydrophobicContact CD1-CD2 3.7Å
305E85.8Confident91.8Very high76 Ų7630 Ų3036%0.35516%0.163SC..Hα-helixtrans61.4177.9-169.2-45.4-179.2139.100112.3C301 S307 T309 Y348 Q368C301-E305 PolarHBondContact O-N 3.1Å; E305-S307 PolarHBondContact O-N 3.22Å; E305-T309 WeakPolarHBondContact O-CB 3.31Å; E305-T309 PolarHBondContact O-N 3.37Å; E305-T309 PolarHBondContact O-OG1 2.94Å; E305-Y348 HydrophobicContact CB-CE2 4.01Å; E305-Q368 PolarHBondContact OE2-NE2 2.85Å
306G84.3Confident92Very high0 Ų026.2 Ų26.20%013%0.131CC..Hα-helixtrans-58.6-52.1-170.300000114.6T309 L310G306-T309 PolarHBondContact O-N 3.42Å; G306-L310 PolarHBondContact O-N 3.02Å
307S87Confident92.1Very high7 Ų724.2 Ų24.25%0.04912%0.122CC..Hα-helixtrans-71.5-37.7-171.3-470000113.7E305 L310 C311E305-S307 PolarHBondContact O-N 3.22Å; S307-L310 WeakPolarHBondContact O-CB 3.31Å; S307-L310 PolarHBondContact O-N 3.1Å; S307-C311 PolarHBondContact O-N 3.09Å; S307-C311 PolarHBondContact O-SG 3.21Å
308H89.9Confident92.2Very high47 Ų4725.7 Ų25.722%0.21813%0.127CC..Hα-helixtrans-79.4-25.4175.5-59.3-77.9000112.6L304 L310 C311 L312L304-H308 HydrophobicContact CB-CB 4.06Å; L304-H308 HydrophobicContact CD2-CB 4.06Å; L304-H308 WeakPolarHBondContact O-CB 3.11Å; H308-L310 VanDerWaalsContact C-N 3.28Å; H308-C311 WeakPolarHBondContact O-CB 3.37Å; H308-C311 PolarHBondContact O-N 3.03Å; H308-L312 PolarHBondContact O-N 3.41Å
309T93.4Very high92.2Very high0 Ų018.7 Ų18.70%010%0.101CC..Hα-helixtrans-61.3-40.8167.2-61.30000110.4C301 E305 G306 C311 L312 L313 M341 Y344C301-T309 HydrophobicContact CB-CG2 4.32Å; C301-T309 PolarHBondContact O-OG1 3.28Å; E305-T309 WeakPolarHBondContact O-CB 3.31Å; E305-T309 PolarHBondContact O-N 3.37Å; E305-T309 PolarHBondContact O-OG1 2.94Å; G306-T309 PolarHBondContact O-N 3.42Å; T309-C311 VanDerWaalsContact C-N 3.34Å; T309-C311 PolarHBondContact O-N 3.34Å; T309-L312 PolarHBondContact O-N 2.91Å; T309-L313 WeakPolarHBondContact O-CB 3.16Å; T309-L313 PolarHBondContact O-N 2.82Å; T309-M341 HydrophobicContact CG2-CB 4.29Å; T309-M341 HydrophobicContact CG2-CE 3.75Å; T309-M341 WeakPolarHBondContact O-CE 3.35Å; T309-Y344 HydrophobicContact CG2-CD1 4.25Å
310L92.5Very high92.2Very high0 Ų015.4 Ų15.40%08%0.084CC..Hα-helixtrans-63.3-38.7173.7-171.670.7000112.3G306 S307 H308 L313 G314 V362 L363 L381 L385 L476G306-L310 PolarHBondContact O-N 3.02Å; S307-L310 WeakPolarHBondContact O-CB 3.31Å; S307-L310 PolarHBondContact O-N 3.1Å; H308-L310 VanDerWaalsContact C-N 3.28Å; L310-L313 WeakPolarHBondContact O-CB 3.34Å; L310-L313 PolarHBondContact O-N 2.78Å; L310-G314 PolarHBondContact O-N 3.02Å; L310-V362 HydrophobicContact CD1-CG1 4.44Å; L310-V362 HydrophobicContact CD2-CB 3.78Å; L310-V362 HydrophobicContact CD2-CG1 3.81Å; L310-V362 HydrophobicContact CD2-CG2 4.16Å; L310-L363 HydrophobicContact CD2-CD1 4.49Å; L310-L363 HydrophobicContact CD2-CG 4.25Å; L310-L381 HydrophobicContact CB-CD2 4.47Å; L310-L381 HydrophobicContact CD2-CD2 3.86Å; L310-L381 HydrophobicContact CG-CD2 3.89Å; L310-L385 HydrophobicContact CD1-CD1 4.02Å; L310-L385 HydrophobicContact CG-CD1 4.36Å; L310-L476 HydrophobicContact CD1-CD2 3.96Å
311C93.4Very high92.1Very high0 Ų016.3 Ų16.30%09%0.09CC..Hα-helixtrans-62.6-46174.9-64.50000111.8S259 S307 H308 T309 L313 G314 N315S259-C311 WeakPolarHBondContact O-CB 3.42Å; S307-C311 PolarHBondContact O-N 3.09Å; S307-C311 PolarHBondContact O-SG 3.21Å; H308-C311 WeakPolarHBondContact O-CB 3.37Å; H308-C311 PolarHBondContact O-N 3.03Å; T309-C311 VanDerWaalsContact C-N 3.34Å; T309-C311 PolarHBondContact O-N 3.34Å; C311-L313 VanDerWaalsContact C-N 3.3Å; C311-L313 PolarHBondContact O-N 3.12Å; C311-G314 PolarHBondContact O-N 3.39Å; C311-N315 PolarHBondContact O-N 2.94Å; C311-N315 PolarHBondContact O-ND2 3.07Å
312L95.7Very high91.9Very high0 Ų020 Ų200%011%0.109CC..Hα-helixtrans-58.7-43.9174.1177.960.7000111.1L254 M258 V300 L304 H308 T309 N315 L316 M341L254-L312 HydrophobicContact CD2-CD1 3.97Å; M258-L312 HydrophobicContact CB-CD1 3.46Å; M258-L312 VanDerWaalsContact CB-CD1 3.46Å; M258-L312 WeakPolarHBondContact O-CA 3.41Å; V300-L312 HydrophobicContact CG1-CD2 3.8Å; L304-L312 HydrophobicContact CD1-CB 4.09Å; L304-L312 HydrophobicContact CD1-CD2 3.7Å; H308-L312 PolarHBondContact O-N 3.41Å; T309-L312 PolarHBondContact O-N 2.91Å; L312-N315 PolarHBondContact O-N 3.39Å; L312-L316 HydrophobicContact CD1-CD1 4.26Å; L312-L316 HydrophobicContact CD1-CG 4.23Å; L312-L316 HydrophobicContact CG-CD1 4.11Å; L312-L316 HydrophobicContact CG-CG 4.5Å; L312-L316 WeakPolarHBondContact O-CG 3.38Å; L312-L316 PolarHBondContact O-N 2.95Å; L312-M341 HydrophobicContact CB-CE 3.91Å; L312-M341 HydrophobicContact CD2-CE 3.77Å; L312-M341 HydrophobicContact CG-CE 3.72Å
313L95.7Very high91.8Very high1 Ų116.8 Ų16.81%0.0059%0.089CC..Hα-helixtrans-59.4-49.5177.8-170.9149.5000111.6T309 L310 C311 N315 L316 V317 L338 M341 L342 L385T309-L313 WeakPolarHBondContact O-CB 3.16Å; T309-L313 PolarHBondContact O-N 2.82Å; L310-L313 WeakPolarHBondContact O-CB 3.34Å; L310-L313 PolarHBondContact O-N 2.78Å; C311-L313 VanDerWaalsContact C-N 3.3Å; C311-L313 PolarHBondContact O-N 3.12Å; L313-N315 VanDerWaalsContact C-N 3.33Å; L313-N315 PolarHBondContact O-N 2.89Å; L313-L316 PolarHBondContact O-N 3.43Å; L313-V317 HydrophobicContact CD2-CG2 3.98Å; L313-V317 WeakPolarHBondContact O-CG2 3.36Å; L313-V317 PolarHBondContact O-N 3.04Å; L313-L338 HydrophobicContact CD1-CD2 4.22Å; L313-L338 HydrophobicContact CD2-CD2 4.36Å; L313-L338 HydrophobicContact CG-CD2 3.84Å; L313-M341 HydrophobicContact CB-CE 3.9Å; L313-M341 HydrophobicContact CD1-CB 3.89Å; L313-L342 HydrophobicContact CD1-CD2 3.71Å; L313-L342 HydrophobicContact CD1-CG 3.68Å; L313-L385 HydrophobicContact CD2-CD2 3.21Å
314G95Very high91.7Very high0 Ų016.9 Ų16.90%09%0.085CC..Hα-helixtrans-61-40.1178.200000113.1L310 C311 V317 Y318L310-G314 PolarHBondContact O-N 3.02Å; C311-G314 PolarHBondContact O-N 3.39Å; G314-V317 PolarHBondContact O-N 3.27Å; G314-Y318 WeakPolarHBondContact O-CB 3.26Å; G314-Y318 PolarHBondContact O-N 3.35Å
315N95.3Very high91.9Very high0 Ų024.5 Ų24.50%012%0.118CC..Hα-helixtrans-67.3-36.8176.2-71.3-42.6000112.8M258 V260 I263 M264 C311 L312 L313 L319 Q384M258-N315 HydrophobicContact CE-CB 3.88Å; M258-N315 PolarHBondContact O-ND2 2.9Å; V260-N315 PolarHBondContact O-ND2 2.92Å; I263-N315 PolarHBondContact N-OD1 2.77Å; M264-N315 HydrophobicContact CG-CB 3.78Å; M264-N315 PolarHBondContact N-OD1 3.34Å; C311-N315 PolarHBondContact O-N 2.94Å; C311-N315 PolarHBondContact O-ND2 3.07Å; L312-N315 PolarHBondContact O-N 3.39Å; L313-N315 VanDerWaalsContact C-N 3.33Å; L313-N315 PolarHBondContact O-N 2.89Å; N315-L319 WeakPolarHBondContact O-CG 3.47Å; N315-L319 PolarHBondContact O-N 3.28Å; N315-Q384 PolarHBondContact OD1-NE2 3.24Å; N315-Q384 PolarHBondContact OD1-OE1 2.96Å
316L95.9Very high92.1Very high0 Ų021.8 Ų21.80%011%0.107CC..Hα-helixtrans-68-41.6174.4-72.5173.2000112.1F287 I288 L291 L312 L313 Y318 L319 G320 V337 M341F287-L316 HydrophobicContact CB-CD2 4.19Å; F287-L316 HydrophobicContact CD2-CD2 4.43Å; I288-L316 HydrophobicContact CD1-CD2 4.49Å; L291-L316 HydrophobicContact CD1-CD1 3.64Å; L312-L316 HydrophobicContact CD1-CD1 4.26Å; L312-L316 HydrophobicContact CD1-CG 4.23Å; L312-L316 HydrophobicContact CG-CD1 4.11Å; L312-L316 HydrophobicContact CG-CG 4.5Å; L312-L316 WeakPolarHBondContact O-CG 3.38Å; L312-L316 PolarHBondContact O-N 2.95Å; L313-L316 PolarHBondContact O-N 3.43Å; L316-Y318 VanDerWaalsContact C-N 3.35Å; L316-L319 PolarHBondContact O-N 3.2Å; L316-G320 PolarHBondContact O-N 3.28Å; L316-V337 HydrophobicContact CD1-CG1 4.44Å; L316-M341 HydrophobicContact CD1-SD 3.97Å
317V95.8Very high92.5Very high0 Ų021.8 Ų21.80%011%0.107CC..Hα-helixtrans-60.3-46.2175.4167.70000110.6L313 G314 L319 G320 S321 L338 H387 L388L313-V317 HydrophobicContact CD2-CG2 3.98Å; L313-V317 WeakPolarHBondContact O-CG2 3.36Å; L313-V317 PolarHBondContact O-N 3.04Å; G314-V317 PolarHBondContact O-N 3.27Å; V317-L319 PolarHBondContact O-N 3.01Å; V317-G320 PolarHBondContact O-N 2.87Å; V317-S321 PolarHBondContact O-N 3.09Å; V317-L338 HydrophobicContact CG2-CD1 4.24Å; V317-L338 HydrophobicContact CG2-CD2 3.98Å; V317-H387 HydrophobicContact CG1-CB 4.04Å; V317-L388 HydrophobicContact CG1-CB 3.8Å; V317-L388 HydrophobicContact CG2-CB 4.41Å
318Y94.7Very high92.7Very high34 Ų3427.1 Ų27.113%0.13313%0.131CC..Hα-helixtrans-62.9-42.3177.4-169.9-90.2000112M264 A268 G314 L316 G320 S321 L322 Q384 H387M264-Y318 HydrophobicContact CB-CD1 3.47Å; M264-Y318 VanDerWaalsContact CB-CD1 3.47Å; M264-Y318 HydrophobicContact CB-CE1 4.08Å; M264-Y318 HydrophobicContact CB-CG 4.12Å; M264-Y318 HydrophobicContact CG-CD1 4.45Å; A268-Y318 HydrophobicContact CB-CE1 4.2Å; A268-Y318 WeakPolarHBondContact CB-OH 3.05Å; G314-Y318 WeakPolarHBondContact O-CB 3.26Å; G314-Y318 PolarHBondContact O-N 3.35Å; L316-Y318 VanDerWaalsContact C-N 3.35Å; Y318-G320 VanDerWaalsContact C-N 3.32Å; Y318-G320 PolarHBondContact O-N 2.57Å; Y318-S321 PolarHBondContact O-N 3.08Å; Y318-S321 PolarHBondContact O-OG 3.07Å; Y318-L322 HydrophobicContact CD1-CD1 4.02Å; Y318-L322 HydrophobicContact CE1-CD1 3.73Å; Y318-L322 HydrophobicContact CE1-CG 4.34Å; Y318-L322 PolarHBondContact O-N 3.3Å; Y318-Q384 HydrophobicContact CD2-CG 4.11Å; Y318-Q384 HydrophobicContact CG-CG 4.4Å; Y318-H387 AromaticContact CD2-CE1 3.78Å; Y318-H387 AromaticContact CD2-NE2 3.84Å; Y318-H387 AromaticContact CE2-CE1 3.81Å; Y318-H387 AromaticContact CE2-NE2 3.68Å
319L92.8Very high92.7Very high2 Ų230.7 Ų30.71%0.0115%0.148CC..Hα-helixtrans-61-40173.6-83.6174.6000112.8M258 M264 I278 F284 F287 N315 L316 V317 S321 L322 N323M258-L319 HydrophobicContact CE-CD1 3.45Å; M258-L319 VanDerWaalsContact CE-CD1 3.45Å; M258-L319 HydrophobicContact CE-CG 4.49Å; M264-L319 HydrophobicContact CE-CD1 4.5Å; M264-L319 HydrophobicContact CE-CD2 3.29Å; M264-L319 HydrophobicContact CE-CG 3.77Å; M264-L319 HydrophobicContact CG-CG 4.09Å; M264-L319 HydrophobicContact SD-CD1 4.1Å; M264-L319 HydrophobicContact SD-CD2 3.96Å; M264-L319 HydrophobicContact SD-CG 3.89Å; I278-L319 HydrophobicContact CD1-CD2 4.46Å; I278-L319 HydrophobicContact CG2-CD2 3.84Å; F284-L319 HydrophobicContact CD2-CB 3.84Å; F284-L319 HydrophobicContact CE2-CB 4.35Å; F284-L319 HydrophobicContact CG-CB 4.49Å; F287-L319 HydrophobicContact CD2-CD1 4.37Å; F287-L319 HydrophobicContact CE2-CD1 4.42Å; N315-L319 WeakPolarHBondContact O-CG 3.47Å; N315-L319 PolarHBondContact O-N 3.28Å; L316-L319 PolarHBondContact O-N 3.2Å; V317-L319 PolarHBondContact O-N 3.01Å; L319-S321 VanDerWaalsContact C-N 3.32Å; L319-S321 PolarHBondContact O-N 3.35Å; L319-L322 PolarHBondContact O-N 3Å; L319-N323 PolarHBondContact O-N 2.97Å; L319-N323 PolarHBondContact O-ND2 3.21Å
320G91.4Very high92.7Very high0 Ų031.6 Ų31.60%015%0.152CC..Hα-helixtrans-60.3-41.9175.100000112F284 L316 V317 Y318 L322 N323F284-G320 VanDerWaalsContact CZ-CA 3.45Å; L316-G320 PolarHBondContact O-N 3.28Å; V317-G320 PolarHBondContact O-N 2.87Å; Y318-G320 VanDerWaalsContact C-N 3.32Å; Y318-G320 PolarHBondContact O-N 2.57Å; G320-L322 PolarHBondContact O-N 3.43Å; G320-L322 VanDerWaalsContact O-N 3.16Å; G320-N323 PolarHBondContact O-N 2.93Å
321S91.8Very high92.8Very high19 Ų1931.8 Ų31.813%0.13315%0.153CC..Hα-helixtrans-66.9-12.7177.266.60000115.3V317 Y318 L319 H387V317-S321 PolarHBondContact O-N 3.09Å; Y318-S321 PolarHBondContact O-N 3.08Å; Y318-S321 PolarHBondContact O-OG 3.07Å; L319-S321 VanDerWaalsContact C-N 3.32Å; L319-S321 PolarHBondContact O-N 3.35Å; S321-H387 PolarHBondContact OG-CD2 3.26Å
322L89.8Confident92.7Very high79 Ų7936.3 Ų36.341%0.41418%0.18SC..Hα-helixtrans-96.9-15.8176-65.2176.4000113L275 Y318 L319 G320L275-L322 HydrophobicContact CD1-CD1 4.2Å; Y318-L322 HydrophobicContact CD1-CD1 4.02Å; Y318-L322 HydrophobicContact CE1-CD1 3.73Å; Y318-L322 HydrophobicContact CE1-CG 4.34Å; Y318-L322 PolarHBondContact O-N 3.3Å; L319-L322 PolarHBondContact O-N 3Å; G320-L322 PolarHBondContact O-N 3.43Å; G320-L322 VanDerWaalsContact O-N 3.16Å
323N89.8Confident92.7Very high20 Ų2040 Ų4011%0.10720%0.197CC..  trans-126.167.7-169.2-67-85.2000112F284 L319 G320 K325 V326 L327F284-N323 HydrophobicContact CD1-CB 3.96Å; L319-N323 PolarHBondContact O-N 2.97Å; L319-N323 PolarHBondContact O-ND2 3.21Å; G320-N323 PolarHBondContact O-N 2.93Å; N323-K325 VanDerWaalsContact C-N 3.35Å; N323-K325 PolarHBondContact O-N 3.22Å; N323-V326 HydrophobicContact CB-CB 4.39Å; N323-V326 PolarHBondContact O-N 2.95Å; N323-L327 WeakPolarHBondContact O-CB 3.15Å; N323-L327 PolarHBondContact O-N 3.41Å
324D89.8Confident92.7Very high62 Ų6240 Ų4033%0.33220%0.197SC..Hα-helixtrans-54.3-45.7-174.1-62.4-8.7000113.2V326 L327 E328 H392 I396D324-V326 PolarHBondContact O-N 3.34Å; D324-L327 WeakPolarHBondContact O-CB 3.41Å; D324-L327 PolarHBondContact O-N 3.32Å; D324-E328 WeakPolarHBondContact O-CG 3.09Å; D324-E328 PolarHBondContact O-N 2.89Å; D324-H392 IonicContact OD1-CD2 2.82Å; D324-H392 IonicContact OD1-CE1 3.1Å; D324-H392 IonicContact OD1-NE2 3.79Å; D324-H392 PolarHBondContact OD1-NE2 3.41Å; D324-H392 IonicContact OD2-CE1 2.73Å; D324-H392 PolarHBondContact OD2-CE1 3.06Å; D324-H392 VanDerWaalsContact OD2-CE1 3.23Å; D324-H392 IonicContact OD2-NE2 3.11Å; D324-H392 PolarHBondContact OD2-NE2 3.34Å; D324-I396 HydrophobicContact CB-CD1 4.14Å
325K89.2Confident92.7Very high168 Ų16840.1 Ų40.173%0.7320%0.198SC*.Hα-helixtrans-59.3-47.8-178.7-65.7-178.7-179.7176.90112.7N323 L327 E328 E329N323-K325 VanDerWaalsContact C-N 3.35Å; N323-K325 PolarHBondContact O-N 3.22Å; K325-L327 VanDerWaalsContact C-N 3.31Å; K325-E328 PolarHBondContact O-N 3.45Å; K325-E329 WeakPolarHBondContact O-CG 3.26Å; K325-E329 PolarHBondContact O-N 3.22Å; K325-E329 VanDerWaalsContact O-N 3.08Å
326V91.8Very high92.7Very high18 Ų1841.1 Ų41.111%0.10921%0.209CC..Hα-helixtrans-68.9-36.7-179.4-179.90000110.2F284 R285 N323 D324 E329 E330F284-V326 HydrophobicContact CD1-CB 3.84Å; F284-V326 HydrophobicContact CD1-CG1 3.49Å; F284-V326 VanDerWaalsContact CD1-CG1 3.49Å; F284-V326 HydrophobicContact CE1-CB 4.24Å; F284-V326 HydrophobicContact CE1-CG1 3.92Å; R285-V326 HydrophobicContact CB-CG1 3.69Å; R285-V326 HydrophobicContact CG-CG1 4.12Å; N323-V326 HydrophobicContact CB-CB 4.39Å; N323-V326 PolarHBondContact O-N 2.95Å; D324-V326 PolarHBondContact O-N 3.34Å; V326-E329 PolarHBondContact O-N 3.31Å; V326-E330 HydrophobicContact CG1-CG 4.33Å; V326-E330 WeakPolarHBondContact O-CB 3.36Å; V326-E330 PolarHBondContact O-N 2.89Å
327L92.1Very high92.7Very high0 Ų041.2 Ų41.20%021%0.209CC..Hα-helixtrans-65-41.4177.1-177.364.8000111.8F284 N323 D324 K325 T331 F334 M393 I396F284-L327 HydrophobicContact CE1-CB 4.39Å; F284-L327 HydrophobicContact CZ-CD1 4.42Å; N323-L327 WeakPolarHBondContact O-CB 3.15Å; N323-L327 PolarHBondContact O-N 3.41Å; D324-L327 WeakPolarHBondContact O-CB 3.41Å; D324-L327 PolarHBondContact O-N 3.32Å; K325-L327 VanDerWaalsContact C-N 3.31Å; L327-T331 VanDerWaalsContact O-CA 3.24Å; L327-T331 WeakPolarHBondContact O-CA 3.3Å; L327-T331 WeakPolarHBondContact O-CB 3.49Å; L327-T331 PolarHBondContact O-N 2.88Å; L327-T331 PolarHBondContact O-OG1 2.83Å; L327-F334 HydrophobicContact CD1-CB 4.18Å; L327-F334 HydrophobicContact CD1-CD1 3.36Å; L327-F334 HydrophobicContact CD1-CD2 4.18Å; L327-F334 HydrophobicContact CD1-CE1 3.64Å; L327-F334 HydrophobicContact CD1-CE2 4.43Å; L327-F334 HydrophobicContact CD1-CG 3.64Å; L327-F334 HydrophobicContact CD1-CZ 4.16Å; L327-M393 HydrophobicContact CD2-CE 4.05Å; L327-M393 HydrophobicContact CD2-SD 3.48Å; L327-M393 WeakPolarHBondContact CD2-SD 3.3Å; L327-I396 HydrophobicContact CD2-CB 4.32Å; L327-I396 HydrophobicContact CD2-CD1 4.06Å; L327-I396 HydrophobicContact CD2-CG2 3.8Å; L327-I396 HydrophobicContact CG-CG2 3.99Å
328E90.1Very high92.8Very high119 Ų11941.2 Ų41.256%0.55621%0.21SC*.Hα-helixtrans-63.7-45.4174.8-75178178.900112.1D324 K325 T331 I396D324-E328 WeakPolarHBondContact O-CG 3.09Å; D324-E328 PolarHBondContact O-N 2.89Å; K325-E328 PolarHBondContact O-N 3.45Å; E328-T331 PolarHBondContact O-OG1 3.42Å; E328-I396 HydrophobicContact CG-CG2 3.8Å
329E91.1Very high92.8Very high122 Ų12241 Ų4157%0.5721%0.211SC*.Hα-helixtrans-65.9-42.9178.1-73.2-179.8-160.800112.6R285 K325 V326R285-E329 IonicContact CZ-OE2 2.88Å; R285-E329 IonicContact NH1-OE2 3.61Å; R285-E329 PolarHBondContact NH1-OE2 2.98Å; R285-E329 IonicContact NH2-OE2 2.68Å; R285-E329 PolarHBondContact NH2-OE2 3.14Å; K325-E329 WeakPolarHBondContact O-CG 3.26Å; K325-E329 PolarHBondContact O-N 3.22Å; K325-E329 VanDerWaalsContact O-N 3.08Å; V326-E329 PolarHBondContact O-N 3.31Å
330E93.8Very high92.9Very high19 Ų1944.6 Ų44.69%0.08923%0.227CC..THydrogen-bonded Turntrans-107.622.7-170.8-56.2-65.7170.800113R285 I288 V326 V332 H333 F334R285-E330 HydrophobicContact CG-CG 4.21Å; R285-E330 IonicContact CZ-OE1 3.53Å; R285-E330 IonicContact NE-OE1 3.98Å; R285-E330 PolarHBondContact NE-OE1 3.44Å; R285-E330 IonicContact NH2-OE1 3.36Å; R285-E330 PolarHBondContact NH2-OE1 3.01Å; I288-E330 HydrophobicContact CG2-CB 4.47Å; V326-E330 HydrophobicContact CG1-CG 4.33Å; V326-E330 WeakPolarHBondContact O-CB 3.36Å; V326-E330 PolarHBondContact O-N 2.89Å; E330-V332 VanDerWaalsContact C-N 3.27Å; E330-V332 PolarHBondContact O-N 3.45Å; E330-H333 PolarHBondContact O-N 3.13Å; E330-H333 VanDerWaalsContact O-N 3.11Å; E330-H333 IonicContact OE2-CE1 3.54Å; E330-H333 PolarHBondContact OE2-CE1 3.3Å; E330-H333 IonicContact OE2-CG 3.37Å; E330-H333 IonicContact OE2-ND1 2.7Å; E330-H333 PolarHBondContact OE2-ND1 3.13Å; E330-F334 WeakPolarHBondContact O-CB 3.48Å; E330-F334 PolarHBondContact O-N 2.96Å
331T92.9Very high93.1Very high4 Ų444.6 Ų44.63%0.02523%0.227CC..Hα-helixtrans-52.6-43.9-175-61.60000112.2L327 E328 H333 F334 V335 L397L327-T331 VanDerWaalsContact O-CA 3.24Å; L327-T331 WeakPolarHBondContact O-CA 3.3Å; L327-T331 WeakPolarHBondContact O-CB 3.49Å; L327-T331 PolarHBondContact O-N 2.88Å; L327-T331 PolarHBondContact O-OG1 2.83Å; E328-T331 PolarHBondContact O-OG1 3.42Å; T331-H333 PolarHBondContact O-N 3.05Å; T331-F334 PolarHBondContact O-N 3.48Å; T331-V335 HydrophobicContact CG2-CG2 4.08Å; T331-V335 WeakPolarHBondContact O-CB 3.49Å; T331-V335 WeakPolarHBondContact O-CG2 3.49Å; T331-V335 PolarHBondContact O-N 3.03Å; T331-L397 HydrophobicContact CG2-CD2 3.78Å
332V92.5Very high93.3Very high95 Ų9543.8 Ų43.858%0.57622%0.221SC*.Hα-helixtrans-63.1-45.4-178.1179.30000111.1E330 G336E330-V332 VanDerWaalsContact C-N 3.27Å; E330-V332 PolarHBondContact O-N 3.45Å; V332-G336 PolarHBondContact O-N 3.42Å
333H95Very high93.5Very high77 Ų7741.4 Ų41.436%0.35621%0.211SC..Hα-helixtrans-66.3-44.1177.3-61.9115.2000111.3I288 E330 T331 G336 V337I288-H333 HydrophobicContact CG2-CB 3.54Å; E330-H333 PolarHBondContact O-N 3.13Å; E330-H333 VanDerWaalsContact O-N 3.11Å; E330-H333 IonicContact OE2-CE1 3.54Å; E330-H333 PolarHBondContact OE2-CE1 3.3Å; E330-H333 IonicContact OE2-CG 3.37Å; E330-H333 IonicContact OE2-ND1 2.7Å; E330-H333 PolarHBondContact OE2-ND1 3.13Å; T331-H333 PolarHBondContact O-N 3.05Å; H333-G336 PolarHBondContact O-N 3.01Å; H333-V337 VanDerWaalsContact O-CG2 3.3Å; H333-V337 WeakPolarHBondContact O-CG2 3.39Å; H333-V337 PolarHBondContact O-N 2.89Å
334F95.9Very high93.7Very high1 Ų142.8 Ų42.80%0.00422%0.215CC..Hα-helixtrans-59.3-51178.4177.4-106.2000112.1F284 I288 L327 E330 T331 G336 V337 L338 M393 L397F284-F334 HydrophobicContact CE2-CD2 4.03Å; F284-F334 AromaticContact CE2-CE2 3.98Å; F284-F334 HydrophobicContact CE2-CE2 3.98Å; F284-F334 AromaticContact CZ-CD2 3.66Å; F284-F334 HydrophobicContact CZ-CD2 3.66Å; F284-F334 AromaticContact CZ-CE2 3.82Å; F284-F334 HydrophobicContact CZ-CE2 3.82Å; I288-F334 HydrophobicContact CD1-CD2 3.66Å; I288-F334 HydrophobicContact CD1-CE2 4.39Å; I288-F334 HydrophobicContact CG1-CD2 4.21Å; I288-F334 HydrophobicContact CG2-CB 4.32Å; L327-F334 HydrophobicContact CD1-CB 4.18Å; L327-F334 HydrophobicContact CD1-CD1 3.36Å; L327-F334 HydrophobicContact CD1-CD2 4.18Å; L327-F334 HydrophobicContact CD1-CE1 3.64Å; L327-F334 HydrophobicContact CD1-CE2 4.43Å; L327-F334 HydrophobicContact CD1-CG 3.64Å; L327-F334 HydrophobicContact CD1-CZ 4.16Å; E330-F334 WeakPolarHBondContact O-CB 3.48Å; E330-F334 PolarHBondContact O-N 2.96Å; T331-F334 PolarHBondContact O-N 3.48Å; F334-G336 VanDerWaalsContact C-N 3.32Å; F334-G336 PolarHBondContact O-N 3.13Å; F334-V337 PolarHBondContact O-N 3.47Å; F334-L338 HydrophobicContact CD1-CD1 4.13Å; F334-L338 HydrophobicContact CE1-CD1 3.54Å; F334-L338 HydrophobicContact CE1-CG 4.44Å; F334-L338 HydrophobicContact CE2-CD1 4.2Å; F334-L338 HydrophobicContact CE2-CG 4.42Å; F334-L338 HydrophobicContact CZ-CD1 3.59Å; F334-L338 HydrophobicContact CZ-CG 4.29Å; F334-L338 WeakPolarHBondContact O-CG 3.49Å; F334-L338 PolarHBondContact O-N 3.2Å; F334-L338 VanDerWaalsContact O-N 3.09Å; F334-M393 HydrophobicContact CE1-SD 4.26Å; F334-L397 HydrophobicContact CD1-CD2 4.5Å
335V95.6Very high93.8Very high3 Ų339.8 Ų39.82%0.01820%0.199CC..Hα-helixtrans-59.4-44.7176.9169.40000110.5T331 V337 L338 I339 L397 S464 I465 L468T331-V335 HydrophobicContact CG2-CG2 4.08Å; T331-V335 WeakPolarHBondContact O-CB 3.49Å; T331-V335 WeakPolarHBondContact O-CG2 3.49Å; T331-V335 PolarHBondContact O-N 3.03Å; V335-V337 PolarHBondContact O-N 3.48Å; V335-L338 PolarHBondContact O-N 3.42Å; V335-I339 HydrophobicContact CG1-CD1 3.83Å; V335-I339 WeakPolarHBondContact O-CG1 3.34Å; V335-I339 PolarHBondContact O-N 3.25Å; V335-L397 HydrophobicContact CG2-CD2 4.1Å; V335-S464 WeakPolarHBondContact CG1-O 3.36Å; V335-I465 HydrophobicContact CG2-CG1 3.95Å; V335-L468 HydrophobicContact CB-CD2 4.43Å; V335-L468 HydrophobicContact CG1-CB 3.99Å; V335-L468 HydrophobicContact CG1-CD2 4.2Å; V335-L468 HydrophobicContact CG2-CD2 4.09Å
336G95.4Very high93.8Very high22 Ų2235.8 Ų35.823%0.22718%0.183CC..Hα-helixtrans-57-49.6175.300000112.5V332 H333 F334 L338 I339 H340V332-G336 PolarHBondContact O-N 3.42Å; H333-G336 PolarHBondContact O-N 3.01Å; F334-G336 VanDerWaalsContact C-N 3.32Å; F334-G336 PolarHBondContact O-N 3.13Å; G336-L338 PolarHBondContact O-N 3.48Å; G336-I339 PolarHBondContact O-N 3.26Å; G336-H340 PolarHBondContact O-N 3Å; G336-H340 VanDerWaalsContact O-N 3.09Å; G336-H340 PolarHBondContact O-ND1 3.29Å
337V96.4Very high93.7Very high1 Ų141.1 Ų41.11%0.00621%0.205CC..Hα-helixtrans-57.5-47.6179169.50000111.3L291 L316 H333 F334 V335 I339 H340 M341L291-V337 VanDerWaalsContact C-CG2 3.49Å; L291-V337 HydrophobicContact CB-CB 4.42Å; L291-V337 HydrophobicContact CB-CG1 3.78Å; L291-V337 HydrophobicContact CB-CG2 3.65Å; L291-V337 HydrophobicContact CD1-CG1 4.02Å; L316-V337 HydrophobicContact CD1-CG1 4.44Å; H333-V337 VanDerWaalsContact O-CG2 3.3Å; H333-V337 WeakPolarHBondContact O-CG2 3.39Å; H333-V337 PolarHBondContact O-N 2.89Å; F334-V337 PolarHBondContact O-N 3.47Å; V335-V337 PolarHBondContact O-N 3.48Å; V337-I339 PolarHBondContact O-N 3.33Å; V337-H340 PolarHBondContact O-N 2.94Å; V337-M341 HydrophobicContact CG1-CG 4.45Å; V337-M341 HydrophobicContact CG1-SD 3.92Å; V337-M341 WeakPolarHBondContact O-CG 3.46Å; V337-M341 PolarHBondContact O-N 3.48Å
338L96.6Very high93.6Very high1 Ų141.9 Ų41.91%0.00521%0.208CC..Hα-helixtrans-63-42.1-180-66.1-176.8000112.3L313 V317 F334 V335 G336 H340 M341 L342 L388 L468L313-L338 HydrophobicContact CD1-CD2 4.22Å; L313-L338 HydrophobicContact CD2-CD2 4.36Å; L313-L338 HydrophobicContact CG-CD2 3.84Å; V317-L338 HydrophobicContact CG2-CD1 4.24Å; V317-L338 HydrophobicContact CG2-CD2 3.98Å; F334-L338 HydrophobicContact CD1-CD1 4.13Å; F334-L338 HydrophobicContact CE1-CD1 3.54Å; F334-L338 HydrophobicContact CE1-CG 4.44Å; F334-L338 HydrophobicContact CE2-CD1 4.2Å; F334-L338 HydrophobicContact CE2-CG 4.42Å; F334-L338 HydrophobicContact CZ-CD1 3.59Å; F334-L338 HydrophobicContact CZ-CG 4.29Å; F334-L338 WeakPolarHBondContact O-CG 3.49Å; F334-L338 PolarHBondContact O-N 3.2Å; F334-L338 VanDerWaalsContact O-N 3.09Å; V335-L338 PolarHBondContact O-N 3.42Å; G336-L338 PolarHBondContact O-N 3.48Å; L338-H340 PolarHBondContact O-N 2.92Å; L338-M341 PolarHBondContact O-N 3.21Å; L338-L342 WeakPolarHBondContact O-CB 3.47Å; L338-L342 VanDerWaalsContact O-CG 3.29Å; L338-L342 WeakPolarHBondContact O-CG 3.41Å; L338-L342 PolarHBondContact O-N 2.98Å; L338-L388 HydrophobicContact CD1-CD1 3.88Å; L338-L468 HydrophobicContact CB-CD1 3.46Å; L338-L468 VanDerWaalsContact CB-CD1 3.46Å; L338-L468 HydrophobicContact CB-CD2 4.5Å; L338-L468 HydrophobicContact CD1-CD1 4.13Å; L338-L468 HydrophobicContact CD1-CD2 3.99Å; L338-L468 HydrophobicContact CG-CD1 4.47Å
339I95.7Very high93.4Very high30 Ų3037.1 Ų37.115%0.15419%0.187CC..Hα-helixtrans-58.9-46.6176-69.9165.4000110.8V335 G336 V337 L342 S343 V467 L468V335-I339 HydrophobicContact CG1-CD1 3.83Å; V335-I339 WeakPolarHBondContact O-CG1 3.34Å; V335-I339 PolarHBondContact O-N 3.25Å; G336-I339 PolarHBondContact O-N 3.26Å; V337-I339 PolarHBondContact O-N 3.33Å; I339-L342 PolarHBondContact O-N 2.7Å; I339-S343 VanDerWaalsContact O-CB 3.24Å; I339-S343 WeakPolarHBondContact O-CB 3.28Å; I339-S343 PolarHBondContact O-N 3.29Å; I339-S343 PolarHBondContact O-OG 3.27Å; I339-V467 HydrophobicContact CD1-CB 4.35Å; I339-V467 HydrophobicContact CD1-CG1 3.96Å; I339-V467 HydrophobicContact CG1-CG1 4.45Å; I339-L468 HydrophobicContact CD1-CB 4.13Å; I339-L468 HydrophobicContact CG1-CB 3.86Å; I339-L468 HydrophobicContact CG1-CD1 4.14Å
340H95.1Very high93.1Very high76 Ų7634.5 Ų34.535%0.35218%0.182SC..Hα-helixtrans-63.1-44.3-179.7-72.195.2000111.9G336 V337 L338 S343 Y344G336-H340 PolarHBondContact O-N 3Å; G336-H340 VanDerWaalsContact O-N 3.09Å; G336-H340 PolarHBondContact O-ND1 3.29Å; V337-H340 PolarHBondContact O-N 2.94Å; L338-H340 PolarHBondContact O-N 2.92Å; H340-S343 PolarHBondContact O-N 2.79Å; H340-Y344 WeakPolarHBondContact O-CB 3.34Å; H340-Y344 PolarHBondContact O-N 2.64Å
341M95.6Very high92.7Very high1 Ų141 Ų411%0.00521%0.212CC..Hα-helixtrans-65.7-44.4178.9-69-178.27500112.2T309 L312 L313 L316 V337 L338 Y344 C345T309-M341 HydrophobicContact CG2-CB 4.29Å; T309-M341 HydrophobicContact CG2-CE 3.75Å; T309-M341 WeakPolarHBondContact O-CE 3.35Å; L312-M341 HydrophobicContact CB-CE 3.91Å; L312-M341 HydrophobicContact CD2-CE 3.77Å; L312-M341 HydrophobicContact CG-CE 3.72Å; L313-M341 HydrophobicContact CB-CE 3.9Å; L313-M341 HydrophobicContact CD1-CB 3.89Å; L316-M341 HydrophobicContact CD1-SD 3.97Å; V337-M341 HydrophobicContact CG1-CG 4.45Å; V337-M341 HydrophobicContact CG1-SD 3.92Å; V337-M341 WeakPolarHBondContact O-CG 3.46Å; V337-M341 PolarHBondContact O-N 3.48Å; L338-M341 PolarHBondContact O-N 3.21Å; M341-Y344 WeakPolarHBondContact O-CB 3.13Å; M341-Y344 PolarHBondContact O-N 3.34Å; M341-C345 PolarHBondContact O-N 2.97Å; M341-C345 PolarHBondContact O-SG 3.48Å; M341-C345 VanDerWaalsContact O-SG 3.39Å
342L95.2Very high92.1Very high1 Ų144.2 Ų44.21%0.00523%0.226CC..Hα-helixtrans-64.1-43.9176.6-70.2165.7000111.5L313 L338 I339 Y344 C345 Q346 L468 T471 T472 T475 L476L313-L342 HydrophobicContact CD1-CD2 3.71Å; L313-L342 HydrophobicContact CD1-CG 3.68Å; L338-L342 WeakPolarHBondContact O-CB 3.47Å; L338-L342 VanDerWaalsContact O-CG 3.29Å; L338-L342 WeakPolarHBondContact O-CG 3.41Å; L338-L342 PolarHBondContact O-N 2.98Å; I339-L342 PolarHBondContact O-N 2.7Å; L342-Y344 VanDerWaalsContact C-N 3.27Å; L342-Y344 PolarHBondContact O-N 3.2Å; L342-C345 WeakPolarHBondContact O-CB 3.38Å; L342-C345 PolarHBondContact O-N 2.91Å; L342-C345 VanDerWaalsContact O-N 3.12Å; L342-Q346 PolarHBondContact O-N 3.04Å; L342-L468 HydrophobicContact CD1-CD1 3.82Å; L342-T471 HydrophobicContact CB-CG2 3.65Å; L342-T471 HydrophobicContact CD1-CG2 4.43Å; L342-T472 VanDerWaalsContact CD1-OG1 3.26Å; L342-T472 WeakPolarHBondContact CD1-OG1 3.41Å; L342-T475 HydrophobicContact CB-CG2 4.43Å; L342-T475 HydrophobicContact CD2-CG2 4.1Å; L342-T475 PolarHBondContact O-OG1 2.65Å; L342-L476 HydrophobicContact CD2-CD1 4.49Å; L342-L476 HydrophobicContact CD2-CD2 4.2Å; L342-L476 HydrophobicContact CD2-CG 4.34Å
343S93.4Very high91.2Very high30 Ų3047 Ų4721%0.2123%0.231CC..Hα-helixtrans-61.7-36.5176.7-58.90000111.9I339 H340 K347I339-S343 VanDerWaalsContact O-CB 3.24Å; I339-S343 WeakPolarHBondContact O-CB 3.28Å; I339-S343 PolarHBondContact O-N 3.29Å; I339-S343 PolarHBondContact O-OG 3.27Å; H340-S343 PolarHBondContact O-N 2.79Å; S343-K347 WeakPolarHBondContact O-CB 3.45Å; S343-K347 VanDerWaalsContact O-CG 3.31Å; S343-K347 WeakPolarHBondContact O-CG 3.24Å; S343-K347 PolarHBondContact O-N 2.86Å
344Y93.9Very high90.2Very high48 Ų4846.5 Ų46.519%0.18824%0.235CC..Hα-helixtrans-63.7-48.6172.1176.5-91.3000111.3C301 V302 T309 H340 M341 L342 Q346 K347 Y348C301-Y344 HydrophobicContact CB-CD1 3.6Å; C301-Y344 HydrophobicContact CB-CD2 3.87Å; C301-Y344 HydrophobicContact CB-CE1 3.84Å; C301-Y344 HydrophobicContact CB-CE2 4.1Å; C301-Y344 HydrophobicContact CB-CG 3.62Å; C301-Y344 WeakPolarHBondContact O-CE1 3.08Å; C301-Y344 PolarHBondContact O-OH 3.32Å; V302-Y344 WeakPolarHBondContact CA-OH 3.37Å; V302-Y344 HydrophobicContact CG2-CE2 3.89Å; T309-Y344 HydrophobicContact CG2-CD1 4.25Å; H340-Y344 WeakPolarHBondContact O-CB 3.34Å; H340-Y344 PolarHBondContact O-N 2.64Å; M341-Y344 WeakPolarHBondContact O-CB 3.13Å; M341-Y344 PolarHBondContact O-N 3.34Å; L342-Y344 VanDerWaalsContact C-N 3.27Å; L342-Y344 PolarHBondContact O-N 3.2Å; Y344-Q346 VanDerWaalsContact C-N 3.31Å; Y344-Q346 PolarHBondContact O-N 2.83Å; Y344-K347 PolarHBondContact O-N 3.25Å; Y344-Y348 HydrophobicContact CE1-CD2 4.24Å; Y344-Y348 WeakPolarHBondContact O-CB 3.37Å; Y344-Y348 PolarHBondContact O-N 2.91Å
345C92.1Very high89.1Confident0 Ų054.5 Ų54.50%028%0.278CS..Hα-helixtrans-56.8-43.9176.7-70.10000111.9M341 L342 Y348 V349 L363 T475M341-C345 PolarHBondContact O-N 2.97Å; M341-C345 PolarHBondContact O-SG 3.48Å; M341-C345 VanDerWaalsContact O-SG 3.39Å; L342-C345 WeakPolarHBondContact O-CB 3.38Å; L342-C345 PolarHBondContact O-N 2.91Å; L342-C345 VanDerWaalsContact O-N 3.12Å; C345-Y348 PolarHBondContact O-N 2.59Å; C345-V349 VanDerWaalsContact O-CG2 3.29Å; C345-V349 WeakPolarHBondContact O-CG2 3.37Å; C345-V349 PolarHBondContact O-N 3.28Å; C345-L363 HydrophobicContact CB-CD2 4.27Å; C345-T475 HydrophobicContact CB-CG2 3.95Å
346Q90.4Very high88Confident83 Ų8361 Ų6139%0.38831%0.312SS..Hα-helixtrans-62.2-45.3177.1-167.9-172.516.800112.1L342 Y344 S350 T475L342-Q346 PolarHBondContact O-N 3.04Å; Y344-Q346 VanDerWaalsContact C-N 3.31Å; Y344-Q346 PolarHBondContact O-N 2.83Å; Q346-S350 WeakPolarHBondContact O-CB 3.48Å; Q346-S350 PolarHBondContact O-N 2.9Å; Q346-S350 PolarHBondContact O-OG 3.28Å; Q346-T475 HydrophobicContact CB-CG2 4.33Å
347K89.9Confident87.2Confident130 Ų13062.2 Ų62.257%0.56532%0.315SS*.Hα-helixtrans-63.7-41.5175.5-73.8175.1-176.3176.30111.6S343 Y344 S350 Q351S343-K347 WeakPolarHBondContact O-CB 3.45Å; S343-K347 VanDerWaalsContact O-CG 3.31Å; S343-K347 WeakPolarHBondContact O-CG 3.24Å; S343-K347 PolarHBondContact O-N 2.86Å; Y344-K347 PolarHBondContact O-N 3.25Å; K347-S350 WeakPolarHBondContact CA-OG 3.44Å; K347-S350 PolarHBondContact O-N 3.27Å; K347-S350 PolarHBondContact O-OG 2.86Å; K347-Q351 WeakPolarHBondContact O-CB 3.25Å; K347-Q351 VanDerWaalsContact O-CG 3.27Å; K347-Q351 WeakPolarHBondContact O-CG 3.25Å; K347-Q351 PolarHBondContact O-N 3.49Å
348Y88.4Confident86.4Confident16 Ų1666 Ų666%0.06333%0.333CS..Hα-helixtrans-61-49178.1-174.1-86.6000111.7E305 Y344 C345 K352 F366 Q368E305-Y348 HydrophobicContact CB-CE2 4.01Å; Y344-Y348 HydrophobicContact CE1-CD2 4.24Å; Y344-Y348 WeakPolarHBondContact O-CB 3.37Å; Y344-Y348 PolarHBondContact O-N 2.91Å; C345-Y348 PolarHBondContact O-N 2.59Å; Y348-K352 HydrophobicContact CE1-CD 4Å; Y348-K352 HydrophobicContact CE2-CD 4.43Å; Y348-K352 WeakPolarHBondContact O-CB 3.48Å; Y348-K352 PolarHBondContact O-N 3.37Å; Y348-K352 PolarHBondContact OH-NZ 3.41Å; Y348-F366 HydrophobicContact CD1-CE2 4.47Å; Y348-F366 HydrophobicContact CE1-CD2 4.15Å; Y348-F366 AromaticContact CE1-CE2 3.94Å; Y348-F366 HydrophobicContact CE1-CE2 3.94Å; Y348-Q368 PolarHBondContact OH-OE1 3.5Å
349V85.9Confident85.5Confident19 Ų1971.4 Ų71.412%0.11535%0.353CS..Hα-helixtrans-63.8-42.4179170.60000111.4C345 K352 L363 F366C345-V349 VanDerWaalsContact O-CG2 3.29Å; C345-V349 WeakPolarHBondContact O-CG2 3.37Å; C345-V349 PolarHBondContact O-N 3.28Å; V349-K352 PolarHBondContact O-N 2.9Å; V349-L363 HydrophobicContact CG2-CB 4.07Å; V349-L363 HydrophobicContact CG2-CD1 4.29Å; V349-F366 HydrophobicContact CG1-CB 4.27Å; V349-F366 HydrophobicContact CG2-CD1 4.17Å; V349-F366 HydrophobicContact CG2-CE1 4.49Å; V349-F366 HydrophobicContact CG2-CG 4.39Å
350S84.8Confident84.9Confident67 Ų6770 Ų7047%0.46935%0.346SS..Hα-helixtrans-68.3-37.3-179.256.40000113.4Q346 K347 K352Q346-S350 WeakPolarHBondContact O-CB 3.48Å; Q346-S350 PolarHBondContact O-N 2.9Å; Q346-S350 PolarHBondContact O-OG 3.28Å; K347-S350 WeakPolarHBondContact CA-OG 3.44Å; K347-S350 PolarHBondContact O-N 3.27Å; K347-S350 PolarHBondContact O-OG 2.86Å; S350-K352 VanDerWaalsContact C-N 3.33Å
351Q85.4Confident84.1Confident155 Ų15567.7 Ų67.772%0.72434%0.338SS*.Hα-helixtrans-71.7-25.6177.2-72.1174.4-300113.5K347K347-Q351 WeakPolarHBondContact O-CB 3.25Å; K347-Q351 VanDerWaalsContact O-CG 3.27Å; K347-Q351 WeakPolarHBondContact O-CG 3.25Å; K347-Q351 PolarHBondContact O-N 3.49Å
352K80.9Confident83.5Confident73 Ų7367.7 Ų67.732%0.31734%0.337SS..THydrogen-bonded Turntrans-101.531.4-176.5-72.3-151.4178.6-178.40113.9Y348 V349 S350 S367Y348-K352 HydrophobicContact CE1-CD 4Å; Y348-K352 HydrophobicContact CE2-CD 4.43Å; Y348-K352 WeakPolarHBondContact O-CB 3.48Å; Y348-K352 PolarHBondContact O-N 3.37Å; Y348-K352 PolarHBondContact OH-NZ 3.41Å; V349-K352 PolarHBondContact O-N 2.9Å; S350-K352 VanDerWaalsContact C-N 3.33Å; K352-S367 WeakPolarHBondContact CB-OG 3.47Å; K352-S367 WeakPolarHBondContact O-CB 3.39Å; K352-S367 PolarHBondContact O-N 3.46Å; K352-S367 PolarHBondContact O-OG 2.99Å
353K74.4Confident83.1Confident154 Ų15468 Ų6867%0.6734%0.339SS*.  trans-80.9126.4170.4-67.1-174.1176.8-1780110.1
354S73.3Confident82.6Confident65 Ų6566.7 Ų66.746%0.45533%0.33SS..  trans-142.7168.1-179.9178.70000109.7L356 T357S354-L356 PolarHBondContact O-N 2.95Å; S354-L356 PolarHBondContact OG-N 3.26Å; S354-T357 WeakPolarHBondContact O-CG2 3.18Å
355N72Confident81.9Confident170 Ų17071.4 Ų71.491%0.90935%0.348SS*.SBendtrans-66-18.3172-65.4-15.7000112.6
356L73.2Confident81.3Confident140 Ų14071.4 Ų71.473%0.73335%0.348SS*.SBendtrans-107.884.8172.7-63.7171.7000108.8S354 S367S354-L356 PolarHBondContact O-N 2.95Å; S354-L356 PolarHBondContact OG-N 3.26Å; L356-S367 WeakPolarHBondContact O-CA 3.35Å
357T79.6Confident80.4Confident47 Ų4769.5 Ų69.529%0.28834%0.344SS..  trans-106.5147.7175.950.10000111.2S354 F366S354-T357 WeakPolarHBondContact O-CG2 3.18Å; T357-F366 WeakPolarHBondContact CA-O 3.49Å
358H77.9Confident79.6Confident81 Ų8165.2 Ų65.238%0.37533%0.326SS..EExtended strand (participates in β ladder)trans-107.8147.3170.9-62.4-82000109.5W365 F366 Q368 V370H358-W365 WeakPolarHBondContact O-CA 3.44Å; H358-F366 PolarHBondContact N-O 2.81Å; H358-F366 PolarHBondContact O-N 2.82Å; H358-F366 VanDerWaalsContact O-N 3.14Å; H358-Q368 PolarHBondContact CD2-O 3.47Å; H358-Q368 VanDerWaalsContact CD2-O 3.3Å; H358-V370 HydrophobicContact CB-CG2 4.07Å
359W78.9Confident78.5Confident114 Ų11469.6 Ų69.643%0.43236%0.355SS..EExtended strand (participates in β ladder)trans-84130.6176.4178.384.3000110.8P361 W365W359-P361 HydrophobicContact CE3-CG 4.31Å; W359-P361 HydrophobicContact CH2-CB 3.71Å; W359-P361 HydrophobicContact CH2-CG 3.66Å; W359-P361 HydrophobicContact CZ2-CB 4.25Å; W359-P361 HydrophobicContact CZ3-CB 4.12Å; W359-P361 HydrophobicContact CZ3-CG 3.53Å; W359-W365 HydrophobicContact CB-CD2 4.01Å; W359-W365 HydrophobicContact CB-CE3 3.94Å; W359-W365 HydrophobicContact CB-CH2 3.74Å; W359-W365 HydrophobicContact CB-CZ2 3.8Å; W359-W365 HydrophobicContact CB-CZ3 3.81Å; W359-W365 AromaticContact CD1-CE2 3.72Å; W359-W365 AromaticContact CD1-CZ2 3.99Å; W359-W365 AromaticContact CD1-NE1 3.69Å; W359-W365 HydrophobicContact CG-CZ2 4.21Å
360H82Confident77.4Confident1 Ų170.4 Ų70.41%0.00536%0.359CS..EExtended strand (participates in β ladder)trans-114.9131.9171.9-174.7-65000110V362 L363 G364 F366 M378H360-V362 VanDerWaalsContact C-N 3.28Å; H360-V362 PolarHBondContact ND1-N 3.24Å; H360-V362 VanDerWaalsContact ND1-N 3.11Å; H360-V362 PolarHBondContact O-N 3Å; H360-V362 VanDerWaalsContact O-N 3.13Å; H360-L363 HydrophobicContact CB-CB 4.38Å; H360-L363 PolarHBondContact ND1-N 3.01Å; H360-G364 VanDerWaalsContact CB-O 3.31Å; H360-G364 WeakPolarHBondContact CB-O 3.04Å; H360-G364 PolarHBondContact N-O 3.46Å; H360-G364 WeakPolarHBondContact O-CA 3.33Å; H360-G364 PolarHBondContact O-N 3.39Å; H360-F366 HydrophobicContact CB-CD1 4.42Å; H360-F366 HydrophobicContact CB-CE1 3.58Å; H360-F366 HydrophobicContact CB-CZ 4.36Å; H360-M378 PolarHBondContact CE1-SD 2.95Å
361P78.8Confident76.7Confident27 Ų2771.6 Ų71.618%0.17536%0.36CS..THydrogen-bonded Turntrans-56.5-34.2-174.5-25.129.9000115.8W359 N375 M378 Q478W359-P361 HydrophobicContact CE3-CG 4.31Å; W359-P361 HydrophobicContact CH2-CB 3.71Å; W359-P361 HydrophobicContact CH2-CG 3.66Å; W359-P361 HydrophobicContact CZ2-CB 4.25Å; W359-P361 HydrophobicContact CZ3-CB 4.12Å; W359-P361 HydrophobicContact CZ3-CG 3.53Å; P361-N375 WeakPolarHBondContact CD-OD1 3.43Å; P361-N375 WeakPolarHBondContact CG-OD1 3.19Å; P361-M378 HydrophobicContact CB-CB 4.25Å; P361-M378 HydrophobicContact CB-CG 4.48Å; P361-M378 HydrophobicContact CG-CB 3.99Å; P361-M378 HydrophobicContact CG-CG 3.93Å; P361-Q478 WeakPolarHBondContact O-CB 3.29Å; P361-Q478 WeakPolarHBondContact O-CG 3.49Å
362V84.1Confident76.1Confident0 Ų072.4 Ų72.40%036%0.358CS..THydrogen-bonded Turntrans-98.7-49.5-179.7-173.30000113.5L310 H360 M378 L385 L476 I479L310-V362 HydrophobicContact CD1-CG1 4.44Å; L310-V362 HydrophobicContact CD2-CB 3.78Å; L310-V362 HydrophobicContact CD2-CG1 3.81Å; L310-V362 HydrophobicContact CD2-CG2 4.16Å; H360-V362 VanDerWaalsContact C-N 3.28Å; H360-V362 PolarHBondContact ND1-N 3.24Å; H360-V362 VanDerWaalsContact ND1-N 3.11Å; H360-V362 PolarHBondContact O-N 3Å; H360-V362 VanDerWaalsContact O-N 3.13Å; V362-M378 HydrophobicContact CG2-SD 4.34Å; V362-L385 HydrophobicContact CG1-CD1 4.34Å; V362-L476 HydrophobicContact CG1-CB 4.33Å; V362-L476 HydrophobicContact CG1-CD2 3.66Å; V362-L476 HydrophobicContact CG1-CG 4.4Å; V362-I479 HydrophobicContact CG1-CD1 4.08Å
363L85.1Confident75.9Confident7 Ų769.5 Ų69.54%0.03735%0.349CS..THydrogen-bonded Turntrans-88.9-8.8-172.4-64.4176.4000114.8L310 C345 V349 H360 F366 T475 L476L310-L363 HydrophobicContact CD2-CD1 4.49Å; L310-L363 HydrophobicContact CD2-CG 4.25Å; C345-L363 HydrophobicContact CB-CD2 4.27Å; V349-L363 HydrophobicContact CG2-CB 4.07Å; V349-L363 HydrophobicContact CG2-CD1 4.29Å; H360-L363 HydrophobicContact CB-CB 4.38Å; H360-L363 PolarHBondContact ND1-N 3.01Å; L363-F366 HydrophobicContact CB-CE1 4.01Å; L363-F366 HydrophobicContact CD1-CE1 4.43Å; L363-F366 HydrophobicContact CD1-CZ 4.5Å; L363-T475 HydrophobicContact CD2-CG2 4.24Å; L363-L476 HydrophobicContact CD2-CD2 4.14Å
364G83.3Confident76.1Confident3 Ų362.6 Ų62.63%0.03132%0.319CS..EExtended strand (participates in β ladder)trans79.1-148.5-178.400000113.5H360H360-G364 VanDerWaalsContact CB-O 3.31Å; H360-G364 WeakPolarHBondContact CB-O 3.04Å; H360-G364 PolarHBondContact N-O 3.46Å; H360-G364 WeakPolarHBondContact O-CA 3.33Å; H360-G364 PolarHBondContact O-N 3.39Å
365W78.8Confident76.6Confident147 Ų14762 Ų6256%0.55731%0.311SS*.EExtended strand (participates in β ladder)trans-90124.1-170.6-6693.1000113.4H358 W359H358-W365 WeakPolarHBondContact O-CA 3.44Å; W359-W365 HydrophobicContact CB-CD2 4.01Å; W359-W365 HydrophobicContact CB-CE3 3.94Å; W359-W365 HydrophobicContact CB-CH2 3.74Å; W359-W365 HydrophobicContact CB-CZ2 3.8Å; W359-W365 HydrophobicContact CB-CZ3 3.81Å; W359-W365 AromaticContact CD1-CE2 3.72Å; W359-W365 AromaticContact CD1-CZ2 3.99Å; W359-W365 AromaticContact CD1-NE1 3.69Å; W359-W365 HydrophobicContact CG-CZ2 4.21Å
366F80.9Confident77.1Confident1 Ų157.1 Ų57.10%0.00428%0.283CS..EExtended strand (participates in β ladder)trans-155.8166.4171.662.7-77000112.3Y348 V349 T357 H358 H360 L363 Q368Y348-F366 HydrophobicContact CD1-CE2 4.47Å; Y348-F366 HydrophobicContact CE1-CD2 4.15Å; Y348-F366 AromaticContact CE1-CE2 3.94Å; Y348-F366 HydrophobicContact CE1-CE2 3.94Å; V349-F366 HydrophobicContact CG1-CB 4.27Å; V349-F366 HydrophobicContact CG2-CD1 4.17Å; V349-F366 HydrophobicContact CG2-CE1 4.49Å; V349-F366 HydrophobicContact CG2-CG 4.39Å; T357-F366 WeakPolarHBondContact CA-O 3.49Å; H358-F366 PolarHBondContact N-O 2.81Å; H358-F366 PolarHBondContact O-N 2.82Å; H358-F366 VanDerWaalsContact O-N 3.14Å; H360-F366 HydrophobicContact CB-CD1 4.42Å; H360-F366 HydrophobicContact CB-CE1 3.58Å; H360-F366 HydrophobicContact CB-CZ 4.36Å; L363-F366 HydrophobicContact CB-CE1 4.01Å; L363-F366 HydrophobicContact CD1-CE1 4.43Å; L363-F366 HydrophobicContact CD1-CZ 4.5Å; F366-Q368 VanDerWaalsContact C-N 3.3Å; F366-Q368 HydrophobicContact CD2-CB 3.75Å; F366-Q368 HydrophobicContact CE2-CB 3.51Å; F366-Q368 HydrophobicContact CE2-CG 4.48Å; F366-Q368 PolarHBondContact O-N 2.87Å
367S70.1Confident77.7Confident43 Ų4350.4 Ų50.430%0.30125%0.248SC..SBendtrans-75.7-2.6-165.368.40000116.8K352 L356K352-S367 WeakPolarHBondContact CB-OG 3.47Å; K352-S367 WeakPolarHBondContact O-CB 3.39Å; K352-S367 PolarHBondContact O-N 3.46Å; K352-S367 PolarHBondContact O-OG 2.99Å; L356-S367 WeakPolarHBondContact O-CA 3.35Å
368Q72.8Confident78Confident40 Ų4048.3 Ų48.319%0.18724%0.235CC..SBendtrans-80.6133.7-178.3-172.71701500111E305 Y348 H358 F366 V370E305-Q368 PolarHBondContact OE2-NE2 2.85Å; Y348-Q368 PolarHBondContact OH-OE1 3.5Å; H358-Q368 PolarHBondContact CD2-O 3.47Å; H358-Q368 VanDerWaalsContact CD2-O 3.3Å; F366-Q368 VanDerWaalsContact C-N 3.3Å; F366-Q368 HydrophobicContact CD2-CB 3.75Å; F366-Q368 HydrophobicContact CE2-CB 3.51Å; F366-Q368 HydrophobicContact CE2-CG 4.48Å; F366-Q368 PolarHBondContact O-N 2.87Å; Q368-V370 PolarHBondContact O-N 3.42Å
369T65.8Low78.5Confident108 Ų10848.5 Ų48.566%0.66324%0.243SC*.PPolyproline II helixtrans-64119.3171.251.40000109.4
370V62.6Low78.9Confident35 Ų3544.8 Ų44.821%0.21223%0.232CC..PPolyproline II helixtrans-78.7124.7178-174.20000108.5H358 Q368 Y372 N375H358-V370 HydrophobicContact CB-CG2 4.07Å; Q368-V370 PolarHBondContact O-N 3.42Å; V370-Y372 PolarHBondContact O-N 3.41Å; V370-N375 HydrophobicContact CG1-CB 4.03Å
371D71.1Confident79.3Confident92 Ų9244.8 Ų44.849%0.49223%0.231SC..PPolyproline II helixtrans-61.6126.8170-177.4-7.6000109.1G373 L374 N375D371-G373 VanDerWaalsContact C-N 3.25Å; D371-G373 PolarHBondContact O-N 3.25Å; D371-G373 PolarHBondContact OD1-N 3.46Å; D371-G373 VanDerWaalsContact OD1-N 3.13Å; D371-L374 HydrophobicContact CB-CB 3.91Å; D371-L374 WeakPolarHBondContact O-CB 3.08Å; D371-L374 PolarHBondContact O-N 3.3Å; D371-L374 VanDerWaalsContact O-N 3.11Å; D371-N375 PolarHBondContact O-N 2.91Å
372Y72.8Confident79.8Confident172 Ų17244.4 Ų44.468%0.67523%0.229SC*.Hα-helixtrans-56.2-41.1-178.1-179.9-91.3000111.7V370 L374 N375 E376V370-Y372 PolarHBondContact O-N 3.41Å; Y372-L374 PolarHBondContact O-N 3Å; Y372-N375 PolarHBondContact O-N 2.96Å; Y372-E376 HydrophobicContact CE1-CG 4.03Å; Y372-E376 WeakPolarHBondContact CE1-OE1 3.44Å; Y372-E376 PolarHBondContact O-N 3.12Å; Y372-E376 VanDerWaalsContact O-N 3.14Å; Y372-E376 PolarHBondContact OH-OE1 3.38Å
373G75.6Confident80Confident13 Ų1350.6 Ų50.613%0.13426%0.256CS..Hα-helixtrans-66.8-37.9178.100000112.8A218 D371 N375 E376 S377A218-G373 CarbonylContact C-O 3.52Å; A218-G373 CarbonylContact O-C 3.55Å; A218-G373 WeakPolarHBondContact O-CA 3.33Å; D371-G373 VanDerWaalsContact C-N 3.25Å; D371-G373 PolarHBondContact O-N 3.25Å; D371-G373 PolarHBondContact OD1-N 3.46Å; D371-G373 VanDerWaalsContact OD1-N 3.13Å; G373-N375 VanDerWaalsContact C-N 3.31Å; G373-N375 PolarHBondContact O-N 3.22Å; G373-E376 PolarHBondContact O-N 3.11Å; G373-S377 PolarHBondContact O-N 3.18Å
374L80.1Confident80.4Confident8 Ų850.3 Ų50.34%0.04225%0.254CS..Hα-helixtrans-63-41.7176.1-176.961.8000110.8P261 D371 Y372 E376 S377 M378P261-L374 HydrophobicContact CB-CD1 4.24Å; P261-L374 HydrophobicContact CG-CD1 3.36Å; D371-L374 HydrophobicContact CB-CB 3.91Å; D371-L374 WeakPolarHBondContact O-CB 3.08Å; D371-L374 PolarHBondContact O-N 3.3Å; D371-L374 VanDerWaalsContact O-N 3.11Å; Y372-L374 PolarHBondContact O-N 3Å; L374-E376 PolarHBondContact O-N 3.5Å; L374-S377 PolarHBondContact O-N 3.4Å; L374-S377 PolarHBondContact O-OG 3.1Å; L374-M378 HydrophobicContact CD1-CE 3.67Å; L374-M378 HydrophobicContact CD2-CE 4.39Å; L374-M378 HydrophobicContact CG-CE 3.6Å; L374-M378 WeakPolarHBondContact O-CE 3.36Å; L374-M378 PolarHBondContact O-N 3.47Å
375N82.8Confident80.9Confident52 Ų5250.2 Ų50.228%0.27825%0.253SS..Hα-helixtrans-61.9-42.6176.8-159.93.8000112.2P361 V370 D371 Y372 G373 S377 M378P361-N375 WeakPolarHBondContact CD-OD1 3.43Å; P361-N375 WeakPolarHBondContact CG-OD1 3.19Å; V370-N375 HydrophobicContact CG1-CB 4.03Å; D371-N375 PolarHBondContact O-N 2.91Å; Y372-N375 PolarHBondContact O-N 2.96Å; G373-N375 VanDerWaalsContact C-N 3.31Å; G373-N375 PolarHBondContact O-N 3.22Å; N375-S377 PolarHBondContact O-N 3.28Å; N375-M378 VanDerWaalsContact O-CB 3.27Å; N375-M378 WeakPolarHBondContact O-CB 3.44Å; N375-M378 WeakPolarHBondContact O-CG 3.34Å; N375-M378 PolarHBondContact O-N 3Å; N375-M378 VanDerWaalsContact O-N 3.1Å
376E82.9Confident81.5Confident68 Ų6846.7 Ų46.732%0.31824%0.243SC..Hα-helixtrans-61.3-28.8176-74-163.4174.900113.8S220 Y372 G373 L374 M378 P379S220-E376 PolarHBondContact N-OE2 3.21Å; Y372-E376 HydrophobicContact CE1-CG 4.03Å; Y372-E376 WeakPolarHBondContact CE1-OE1 3.44Å; Y372-E376 PolarHBondContact O-N 3.12Å; Y372-E376 VanDerWaalsContact O-N 3.14Å; Y372-E376 PolarHBondContact OH-OE1 3.38Å; G373-E376 PolarHBondContact O-N 3.11Å; L374-E376 PolarHBondContact O-N 3.5Å; E376-M378 VanDerWaalsContact C-N 3.33Å; E376-P379 WeakPolarHBondContact O-CD 3.49Å
377S85Confident82.1Confident0 Ų049.8 Ų49.80%026%0.257CS..Hα-helixtrans-82.1-9.2178.170.60000114.1P261 G373 L374 N375 P379 L380 L381P261-S377 VanDerWaalsContact CB-OG 3.23Å; P261-S377 WeakPolarHBondContact CB-OG 3.47Å; G373-S377 PolarHBondContact O-N 3.18Å; L374-S377 PolarHBondContact O-N 3.4Å; L374-S377 PolarHBondContact O-OG 3.1Å; N375-S377 PolarHBondContact O-N 3.28Å; S377-P379 VanDerWaalsContact C-CD 3.48Å; S377-L380 WeakPolarHBondContact O-CB 3.36Å; S377-L380 PolarHBondContact O-N 3.21Å; S377-L380 VanDerWaalsContact O-N 3.09Å; S377-L381 PolarHBondContact O-N 3.06Å
378M86.5Confident83.3Confident3 Ų347.9 Ų47.92%0.01524%0.243CC..Hα-helixtrans-58.1-39.1-176-71.6-66.8138.500114.6H360 P361 V362 L374 N375 E376 L380 L381 T382H360-M378 PolarHBondContact CE1-SD 2.95Å; P361-M378 HydrophobicContact CB-CB 4.25Å; P361-M378 HydrophobicContact CB-CG 4.48Å; P361-M378 HydrophobicContact CG-CB 3.99Å; P361-M378 HydrophobicContact CG-CG 3.93Å; V362-M378 HydrophobicContact CG2-SD 4.34Å; L374-M378 HydrophobicContact CD1-CE 3.67Å; L374-M378 HydrophobicContact CD2-CE 4.39Å; L374-M378 HydrophobicContact CG-CE 3.6Å; L374-M378 WeakPolarHBondContact O-CE 3.36Å; L374-M378 PolarHBondContact O-N 3.47Å; N375-M378 VanDerWaalsContact O-CB 3.27Å; N375-M378 WeakPolarHBondContact O-CB 3.44Å; N375-M378 WeakPolarHBondContact O-CG 3.34Å; N375-M378 PolarHBondContact O-N 3Å; N375-M378 VanDerWaalsContact O-N 3.1Å; E376-M378 VanDerWaalsContact C-N 3.33Å; M378-L380 PolarHBondContact O-N 3.48Å; M378-L381 HydrophobicContact CE-CD2 4.05Å; M378-L381 WeakPolarHBondContact O-CB 3.49Å; M378-L381 PolarHBondContact O-N 3.29Å; M378-L381 VanDerWaalsContact O-N 3.09Å; M378-L381 HydrophobicContact SD-CD2 3.9Å; M378-T382 PolarHBondContact O-N 2.7Å; M378-T382 PolarHBondContact O-OG1 2.65Å; M378-T382 VanDerWaalsContact O-OG1 3.1Å
379P87.6Confident84.3Confident84 Ų8446.5 Ų46.555%0.54524%0.237SC..Hα-helixtrans-58.3-35.9176-25.935.8000113.3E376 S377 K383E376-P379 WeakPolarHBondContact O-CD 3.49Å; S377-P379 VanDerWaalsContact C-CD 3.48Å; P379-K383 WeakPolarHBondContact O-CG 3.42Å; P379-K383 PolarHBondContact O-N 3.19Å; P379-K383 VanDerWaalsContact O-N 3.11Å
380L88.3Confident85.4Confident37 Ų3742.5 Ų42.519%0.19422%0.217CC..Hα-helixtrans-70-40.2176.2-63.3174.2000111.2A262 S377 M378 K383 Q384A262-L380 HydrophobicContact CB-CB 3.65Å; A262-L380 HydrophobicContact CB-CD1 4.33Å; S377-L380 WeakPolarHBondContact O-CB 3.36Å; S377-L380 PolarHBondContact O-N 3.21Å; S377-L380 VanDerWaalsContact O-N 3.09Å; M378-L380 PolarHBondContact O-N 3.48Å; L380-K383 WeakPolarHBondContact O-CB 3.27Å; L380-K383 PolarHBondContact O-N 3.23Å; L380-Q384 PolarHBondContact O-N 2.97Å; L380-Q384 VanDerWaalsContact O-N 3.08Å
381L89.7Confident86.7Confident0 Ų043.2 Ų43.20%022%0.221CC..Hα-helixtrans-65.2-42.9175.7-176.959.8000111.5L310 S377 M378 K383 Q384 L385L310-L381 HydrophobicContact CB-CD2 4.47Å; L310-L381 HydrophobicContact CD2-CD2 3.86Å; L310-L381 HydrophobicContact CG-CD2 3.89Å; S377-L381 PolarHBondContact O-N 3.06Å; M378-L381 HydrophobicContact CE-CD2 4.05Å; M378-L381 WeakPolarHBondContact O-CB 3.49Å; M378-L381 PolarHBondContact O-N 3.29Å; M378-L381 VanDerWaalsContact O-N 3.09Å; M378-L381 HydrophobicContact SD-CD2 3.9Å; L381-K383 VanDerWaalsContact C-N 3.29Å; L381-K383 PolarHBondContact O-N 2.89Å; L381-Q384 WeakPolarHBondContact O-CB 3.42Å; L381-Q384 PolarHBondContact O-N 3.09Å; L381-L385 HydrophobicContact CG-CD1 4.31Å; L381-L385 WeakPolarHBondContact O-CG 3.46Å; L381-L385 PolarHBondContact O-N 3.16Å
382T89.4Confident87.6Confident20 Ų2042.9 Ų42.912%0.12322%0.216CC..Hα-helixtrans-58.9-41.4174.5-57.30000111.1M378 Q384 L385 Q386 I479M378-T382 PolarHBondContact O-N 2.7Å; M378-T382 PolarHBondContact O-OG1 2.65Å; M378-T382 VanDerWaalsContact O-OG1 3.1Å; T382-Q384 VanDerWaalsContact C-N 3.33Å; T382-Q384 PolarHBondContact O-N 2.93Å; T382-L385 PolarHBondContact O-N 2.93Å; T382-Q386 VanDerWaalsContact O-CG 3.28Å; T382-Q386 WeakPolarHBondContact O-CG 3.4Å; T382-Q386 PolarHBondContact O-N 2.92Å; T382-I479 HydrophobicContact CG2-CG2 4.36Å
383K89.5Confident88.5Confident130 Ų13034.8 Ų34.857%0.56518%0.184SC*.Hα-helixtrans-61.3-37.6173-75.1-178.4179.2-173.20113P379 L380 L381 Q386 H387P379-K383 WeakPolarHBondContact O-CG 3.42Å; P379-K383 PolarHBondContact O-N 3.19Å; P379-K383 VanDerWaalsContact O-N 3.11Å; L380-K383 WeakPolarHBondContact O-CB 3.27Å; L380-K383 PolarHBondContact O-N 3.23Å; L381-K383 VanDerWaalsContact C-N 3.29Å; L381-K383 PolarHBondContact O-N 2.89Å; K383-Q386 WeakPolarHBondContact O-CB 3.44Å; K383-Q386 PolarHBondContact O-N 3.19Å; K383-H387 PolarHBondContact O-CE1 2.95Å; K383-H387 PolarHBondContact O-ND1 2.83Å
384Q91.9Very high89.3Confident0 Ų034.1 Ų34.10%018%0.178CC..Hα-helixtrans-66.9-46.2174.3-69.9-177.8-5100111.6T265 N315 Y318 L380 L381 T382 Q386 H387T265-Q384 WeakPolarHBondContact OG1-CG 2.97Å; T265-Q384 PolarHBondContact OG1-NE2 3.4Å; N315-Q384 PolarHBondContact OD1-NE2 3.24Å; N315-Q384 PolarHBondContact OD1-OE1 2.96Å; Y318-Q384 HydrophobicContact CD2-CG 4.11Å; Y318-Q384 HydrophobicContact CG-CG 4.4Å; L380-Q384 PolarHBondContact O-N 2.97Å; L380-Q384 VanDerWaalsContact O-N 3.08Å; L381-Q384 WeakPolarHBondContact O-CB 3.42Å; L381-Q384 PolarHBondContact O-N 3.09Å; T382-Q384 VanDerWaalsContact C-N 3.33Å; T382-Q384 PolarHBondContact O-N 2.93Å; Q384-Q386 PolarHBondContact O-N 3.38Å; Q384-H387 WeakPolarHBondContact O-CB 3.39Å; Q384-H387 PolarHBondContact O-N 3.44Å; Q384-H387 VanDerWaalsContact O-N 3.08Å; Q384-H387 PolarHBondContact O-ND1 3.15Å
385L93.8Very high89.8Confident1 Ų139.9 Ų39.91%0.00520%0.199CC..Hα-helixtrans-59.7-35.4176.8-66.4172.4000111.8L310 L313 V362 L381 T382 H387 L388 W389L310-L385 HydrophobicContact CD1-CD1 4.02Å; L310-L385 HydrophobicContact CG-CD1 4.36Å; L313-L385 HydrophobicContact CD2-CD2 3.21Å; V362-L385 HydrophobicContact CG1-CD1 4.34Å; L381-L385 HydrophobicContact CG-CD1 4.31Å; L381-L385 WeakPolarHBondContact O-CG 3.46Å; L381-L385 PolarHBondContact O-N 3.16Å; T382-L385 PolarHBondContact O-N 2.93Å; L385-H387 PolarHBondContact O-N 3.03Å; L385-H387 VanDerWaalsContact O-N 3.09Å; L385-L388 WeakPolarHBondContact O-CB 3.42Å; L385-L388 PolarHBondContact O-N 3.02Å; L385-W389 HydrophobicContact CB-CH2 3.74Å; L385-W389 HydrophobicContact CB-CZ3 4.01Å; L385-W389 WeakPolarHBondContact O-CZ3 3.27Å
386Q92.4Very high90.1Very high73 Ų7338 Ų3834%0.34119%0.189SC..Hα-helixtrans-56.4-24.4175.7-78.2170.3-600114.1T382 K383 Q384 L388 W389 G390T382-Q386 VanDerWaalsContact O-CG 3.28Å; T382-Q386 WeakPolarHBondContact O-CG 3.4Å; T382-Q386 PolarHBondContact O-N 2.92Å; K383-Q386 WeakPolarHBondContact O-CB 3.44Å; K383-Q386 PolarHBondContact O-N 3.19Å; Q384-Q386 PolarHBondContact O-N 3.38Å; Q386-L388 PolarHBondContact O-N 2.66Å; Q386-W389 VanDerWaalsContact CA-CE2 3.49Å; Q386-W389 VanDerWaalsContact CA-CZ2 3.49Å; Q386-W389 HydrophobicContact CB-CZ2 4.03Å; Q386-W389 HydrophobicContact CG-CH2 4.34Å; Q386-W389 HydrophobicContact CG-CZ2 3.42Å; Q386-W389 VanDerWaalsContact CG-CZ2 3.42Å; Q386-W389 CarbonylContact O-C 3.59Å; Q386-W389 PolarHBondContact O-N 3.01Å; Q386-G390 PolarHBondContact O-N 3.43Å; Q386-G390 VanDerWaalsContact O-N 3.07Å
387H93.6Very high90.6Very high67 Ų6734.7 Ų34.731%0.3117%0.174SC..THydrogen-bonded Turntrans-64.6-24.8174.1-66.167.3000111.8V317 Y318 S321 K383 Q384 L385 G390 M393V317-H387 HydrophobicContact CG1-CB 4.04Å; Y318-H387 AromaticContact CD2-CE1 3.78Å; Y318-H387 AromaticContact CD2-NE2 3.84Å; Y318-H387 AromaticContact CE2-CE1 3.81Å; Y318-H387 AromaticContact CE2-NE2 3.68Å; S321-H387 PolarHBondContact OG-CD2 3.26Å; K383-H387 PolarHBondContact O-CE1 2.95Å; K383-H387 PolarHBondContact O-ND1 2.83Å; Q384-H387 WeakPolarHBondContact O-CB 3.39Å; Q384-H387 PolarHBondContact O-N 3.44Å; Q384-H387 VanDerWaalsContact O-N 3.08Å; Q384-H387 PolarHBondContact O-ND1 3.15Å; L385-H387 PolarHBondContact O-N 3.03Å; L385-H387 VanDerWaalsContact O-N 3.09Å; H387-G390 PolarHBondContact O-N 2.84Å; H387-M393 WeakPolarHBondContact O-CB 3.36Å
388L94.9Very high90.9Very high2 Ų234.8 Ų34.81%0.0117%0.174CC..THydrogen-bonded Turntrans-62.9-42.6177.9-17860.5000111.9V317 L338 L385 Q386 M393 L468 Y469 T472V317-L388 HydrophobicContact CG1-CB 3.8Å; V317-L388 HydrophobicContact CG2-CB 4.41Å; L338-L388 HydrophobicContact CD1-CD1 3.88Å; L385-L388 WeakPolarHBondContact O-CB 3.42Å; L385-L388 PolarHBondContact O-N 3.02Å; Q386-L388 PolarHBondContact O-N 2.66Å; L388-M393 HydrophobicContact CD1-CG 4.44Å; L388-M393 VanDerWaalsContact O-CG 3.26Å; L388-M393 WeakPolarHBondContact O-CG 3.3Å; L388-L468 HydrophobicContact CD1-CD2 4.3Å; L388-Y469 HydrophobicContact CG-CE1 4.19Å; L388-Y469 PolarHBondContact O-OH 2.9Å; L388-T472 HydrophobicContact CD2-CG2 4.21Å
389W93.6Very high91Very high12 Ų1236.5 Ų36.55%0.04519%0.186CC..THydrogen-bonded Turntrans-104.221.9176.757.384.2000112.3L385 Q386 I394 Y469 I479 I483 G486L385-W389 HydrophobicContact CB-CH2 3.74Å; L385-W389 HydrophobicContact CB-CZ3 4.01Å; L385-W389 WeakPolarHBondContact O-CZ3 3.27Å; Q386-W389 VanDerWaalsContact CA-CE2 3.49Å; Q386-W389 VanDerWaalsContact CA-CZ2 3.49Å; Q386-W389 HydrophobicContact CB-CZ2 4.03Å; Q386-W389 HydrophobicContact CG-CH2 4.34Å; Q386-W389 HydrophobicContact CG-CZ2 3.42Å; Q386-W389 VanDerWaalsContact CG-CZ2 3.42Å; Q386-W389 CarbonylContact O-C 3.59Å; Q386-W389 PolarHBondContact O-N 3.01Å; W389-I394 WeakPolarHBondContact O-CD1 3.23Å; W389-Y469 HydrophobicContact CB-CE1 4.34Å; W389-I479 HydrophobicContact CH2-CD1 3.69Å; W389-I479 HydrophobicContact CZ2-CD1 4.26Å; W389-I483 HydrophobicContact CD2-CB 4.29Å; W389-I483 HydrophobicContact CD2-CG1 3.83Å; W389-I483 HydrophobicContact CD2-CG2 4.43Å; W389-I483 HydrophobicContact CE3-CB 4.45Å; W389-I483 HydrophobicContact CE3-CG1 3.7Å; W389-I483 HydrophobicContact CE3-CG2 4.39Å; W389-I483 HydrophobicContact CH2-CG1 3.89Å; W389-I483 HydrophobicContact CZ2-CG1 3.97Å; W389-I483 HydrophobicContact CZ3-CD1 4.37Å; W389-I483 HydrophobicContact CZ3-CG1 3.74Å; W389-G486 CarbonylContact O-C 3.22Å
390G90.2Very high90.8Very high24 Ų2434.8 Ų34.825%0.24717%0.172CC..SBendtrans-77.4151.317100000111Q386 H387 H392 M393 I394Q386-G390 PolarHBondContact O-N 3.43Å; Q386-G390 VanDerWaalsContact O-N 3.07Å; H387-G390 PolarHBondContact O-N 2.84Å; G390-H392 PolarHBondContact O-N 3Å; G390-H392 VanDerWaalsContact O-N 3.13Å; G390-M393 PolarHBondContact O-N 3.35Å; G390-M393 VanDerWaalsContact O-N 3.13Å; G390-I394 WeakPolarHBondContact O-CG1 3.36Å; G390-I394 PolarHBondContact O-N 3.42Å
391V88.7Confident90.5Very high49 Ų4933.3 Ų33.330%0.29717%0.165SC..Hα-helixtrans-50.6-41.7-179.1176.70000112.5R395 Y489 L490V391-R395 HydrophobicContact CG1-CG 4.5Å; V391-R395 WeakPolarHBondContact O-CB 3.44Å; V391-R395 VanDerWaalsContact O-CG 3.3Å; V391-R395 WeakPolarHBondContact O-CG 3.29Å; V391-R395 PolarHBondContact O-N 3.44Å; V391-Y489 HydrophobicContact CG2-CD1 3.37Å; V391-Y489 HydrophobicContact CG2-CE1 3.88Å; V391-Y489 HydrophobicContact CG2-CG 4.32Å; V391-L490 HydrophobicContact CG1-CD1 3.79Å
392H89.3Confident90.2Very high86 Ų8634.2 Ų34.240%0.39817%0.169SC..Hα-helixtrans-59.5-53.5178.9-174.362.3000112.4D324 G390 I394 R395 I396D324-H392 IonicContact OD1-CD2 2.82Å; D324-H392 IonicContact OD1-CE1 3.1Å; D324-H392 IonicContact OD1-NE2 3.79Å; D324-H392 PolarHBondContact OD1-NE2 3.41Å; D324-H392 IonicContact OD2-CE1 2.73Å; D324-H392 PolarHBondContact OD2-CE1 3.06Å; D324-H392 VanDerWaalsContact OD2-CE1 3.23Å; D324-H392 IonicContact OD2-NE2 3.11Å; D324-H392 PolarHBondContact OD2-NE2 3.34Å; G390-H392 PolarHBondContact O-N 3Å; G390-H392 VanDerWaalsContact O-N 3.13Å; H392-I394 PolarHBondContact O-N 2.91Å; H392-R395 PolarHBondContact O-N 2.92Å; H392-I396 PolarHBondContact O-N 2.92Å
393M92.3Very high89.4Confident1 Ų137.8 Ų37.81%0.00520%0.195CC..Hα-helixtrans-64.2-42.2-179.9-17569.262.500112L327 F334 H387 L388 G390 R395 I396 L397L327-M393 HydrophobicContact CD2-CE 4.05Å; L327-M393 HydrophobicContact CD2-SD 3.48Å; L327-M393 WeakPolarHBondContact CD2-SD 3.3Å; F334-M393 HydrophobicContact CE1-SD 4.26Å; H387-M393 WeakPolarHBondContact O-CB 3.36Å; L388-M393 HydrophobicContact CD1-CG 4.44Å; L388-M393 VanDerWaalsContact O-CG 3.26Å; L388-M393 WeakPolarHBondContact O-CG 3.3Å; G390-M393 PolarHBondContact O-N 3.35Å; G390-M393 VanDerWaalsContact O-N 3.13Å; M393-R395 VanDerWaalsContact C-N 3.31Å; M393-R395 PolarHBondContact O-N 3.4Å; M393-I396 PolarHBondContact O-N 3.34Å; M393-L397 HydrophobicContact CG-CD1 3.8Å; M393-L397 HydrophobicContact CG-CG 4.21Å; M393-L397 WeakPolarHBondContact O-CB 3.46Å; M393-L397 WeakPolarHBondContact O-CG 3.46Å; M393-L397 PolarHBondContact O-N 3.41Å; M393-L397 HydrophobicContact SD-CD1 4.14Å; M393-L397 HydrophobicContact SD-CG 4.2Å
394I92.1Very high88Confident0 Ų036.3 Ų36.30%019%0.189CC..Hα-helixtrans-59.4-43.8177.4-68.3168.5000110.5W389 G390 H392 I396 L397 F398 G486 L487 L490 L493W389-I394 WeakPolarHBondContact O-CD1 3.23Å; G390-I394 WeakPolarHBondContact O-CG1 3.36Å; G390-I394 PolarHBondContact O-N 3.42Å; H392-I394 PolarHBondContact O-N 2.91Å; I394-I396 VanDerWaalsContact C-N 3.32Å; I394-I396 PolarHBondContact O-N 3.09Å; I394-L397 PolarHBondContact O-N 3.25Å; I394-F398 HydrophobicContact CG2-CD2 4.05Å; I394-F398 WeakPolarHBondContact O-CB 3.33Å; I394-F398 PolarHBondContact O-N 3.43Å; I394-G486 WeakPolarHBondContact CD1-O 3.43Å; I394-L487 HydrophobicContact CD1-CD2 3.94Å; I394-L487 HydrophobicContact CG1-CD2 4.21Å; I394-L490 HydrophobicContact CG2-CD2 4.47Å; I394-L493 HydrophobicContact CG2-CD1 4.43Å; I394-L493 HydrophobicContact CG2-CD2 3.84Å
395R90.9Very high86Confident128 Ų12845.4 Ų45.448%0.48323%0.229SC..Hα-helixtrans-61.4-39.3178.7-77-178.4-175.8-73.70.4112.8V391 H392 M393 S399 L402 L490V391-R395 HydrophobicContact CG1-CG 4.5Å; V391-R395 WeakPolarHBondContact O-CB 3.44Å; V391-R395 VanDerWaalsContact O-CG 3.3Å; V391-R395 WeakPolarHBondContact O-CG 3.29Å; V391-R395 PolarHBondContact O-N 3.44Å; H392-R395 PolarHBondContact O-N 2.92Å; M393-R395 VanDerWaalsContact C-N 3.31Å; M393-R395 PolarHBondContact O-N 3.4Å; R395-S399 WeakPolarHBondContact O-CA 3.24Å; R395-S399 PolarHBondContact O-N 3.4Å; R395-L402 HydrophobicContact CB-CD1 4.48Å; R395-L402 HydrophobicContact CG-CD1 4.26Å; R395-L490 HydrophobicContact CG-CD1 4.09Å; R395-L490 VanDerWaalsContact CZ-CD1 3.47Å
396I90.2Very high83.8Confident12 Ų1250.4 Ų50.46%0.06226%0.255CS..Hα-helixtrans-71-51.7178.4-64170.3000110.4D324 L327 E328 H392 M393 I394 S399D324-I396 HydrophobicContact CB-CD1 4.14Å; L327-I396 HydrophobicContact CD2-CB 4.32Å; L327-I396 HydrophobicContact CD2-CD1 4.06Å; L327-I396 HydrophobicContact CD2-CG2 3.8Å; L327-I396 HydrophobicContact CG-CG2 3.99Å; E328-I396 HydrophobicContact CG-CG2 3.8Å; H392-I396 PolarHBondContact O-N 2.92Å; M393-I396 PolarHBondContact O-N 3.34Å; I394-I396 VanDerWaalsContact C-N 3.32Å; I394-I396 PolarHBondContact O-N 3.09Å; I396-S399 VanDerWaalsContact O-CB 3.28Å; I396-S399 WeakPolarHBondContact O-CB 3.39Å; I396-S399 PolarHBondContact O-N 3.4Å; I396-S399 PolarHBondContact O-OG 2.96Å
397L92.3Very high81.3Confident0 Ų053.8 Ų53.80%027%0.274CS..Hα-helixtrans-63.1-47.1-177-66.7179.3000111.5T331 F334 V335 M393 I394 S399 I465 Y469T331-L397 HydrophobicContact CG2-CD2 3.78Å; F334-L397 HydrophobicContact CD1-CD2 4.5Å; V335-L397 HydrophobicContact CG2-CD2 4.1Å; M393-L397 HydrophobicContact CG-CD1 3.8Å; M393-L397 HydrophobicContact CG-CG 4.21Å; M393-L397 WeakPolarHBondContact O-CB 3.46Å; M393-L397 WeakPolarHBondContact O-CG 3.46Å; M393-L397 PolarHBondContact O-N 3.41Å; M393-L397 HydrophobicContact SD-CD1 4.14Å; M393-L397 HydrophobicContact SD-CG 4.2Å; I394-L397 PolarHBondContact O-N 3.25Å; L397-S399 VanDerWaalsContact C-N 3.3Å; L397-S399 PolarHBondContact O-N 2.91Å; L397-I465 HydrophobicContact CB-CD1 4.23Å; L397-I465 HydrophobicContact CB-CG1 4.47Å; L397-I465 HydrophobicContact CB-CG2 4.15Å; L397-I465 WeakPolarHBondContact O-CD1 3.49Å; L397-Y469 HydrophobicContact CD1-CE2 4.35Å
398F91.6Very high78.4Confident2 Ų256.9 Ų56.91%0.00929%0.289CS..THydrogen-bonded Turntrans-90.521.5179.2-72.3-78.8000114I394 D400 V401 L402 V462 I465 Y469 L493I394-F398 HydrophobicContact CG2-CD2 4.05Å; I394-F398 WeakPolarHBondContact O-CB 3.33Å; I394-F398 PolarHBondContact O-N 3.43Å; F398-D400 PolarHBondContact O-N 3.45Å; F398-D400 VanDerWaalsContact O-N 3.16Å; F398-V401 HydrophobicContact CB-CB 4.5Å; F398-V401 HydrophobicContact CD1-CG2 4.14Å; F398-V401 PolarHBondContact O-N 2.87Å; F398-L402 HydrophobicContact CB-CD1 4.05Å; F398-L402 HydrophobicContact CB-CG 4.18Å; F398-L402 WeakPolarHBondContact O-CB 3.5Å; F398-L402 WeakPolarHBondContact O-CG 3.21Å; F398-L402 PolarHBondContact O-N 3.46Å; F398-V462 HydrophobicContact CE1-CG1 4.41Å; F398-I465 HydrophobicContact CD1-CG2 4.45Å; F398-I465 HydrophobicContact CD2-CG2 4.17Å; F398-I465 HydrophobicContact CE1-CB 4.5Å; F398-I465 HydrophobicContact CE1-CG2 3.92Å; F398-I465 HydrophobicContact CE2-CG2 3.62Å; F398-I465 HydrophobicContact CZ-CB 4.43Å; F398-I465 HydrophobicContact CZ-CG2 3.48Å; F398-I465 VanDerWaalsContact CZ-CG2 3.48Å; F398-Y469 HydrophobicContact CD2-CE2 4.5Å; F398-Y469 HydrophobicContact CE2-CD2 4.03Å; F398-Y469 AromaticContact CE2-CE2 3.57Å; F398-Y469 HydrophobicContact CE2-CE2 3.57Å; F398-Y469 HydrophobicContact CZ-CD2 4.23Å; F398-Y469 HydrophobicContact CZ-CE2 4.2Å; F398-L493 HydrophobicContact CB-CD1 3.9Å; F398-L493 HydrophobicContact CD1-CD1 4.17Å; F398-L493 HydrophobicContact CD2-CD1 3.95Å; F398-L493 HydrophobicContact CD2-CD2 4.5Å; F398-L493 HydrophobicContact CE2-CD1 4.46Å; F398-L493 HydrophobicContact CE2-CD2 4.49Å; F398-L493 HydrophobicContact CG-CD1 3.76Å
399S88.8Confident75.5Confident38 Ų3862.1 Ų62.127%0.26632%0.317SS..Hα-helixtrans-51.4-39.2179.246.80000113.4R395 I396 L397 V401 L402 S403R395-S399 WeakPolarHBondContact O-CA 3.24Å; R395-S399 PolarHBondContact O-N 3.4Å; I396-S399 VanDerWaalsContact O-CB 3.28Å; I396-S399 WeakPolarHBondContact O-CB 3.39Å; I396-S399 PolarHBondContact O-N 3.4Å; I396-S399 PolarHBondContact O-OG 2.96Å; L397-S399 VanDerWaalsContact C-N 3.3Å; L397-S399 PolarHBondContact O-N 2.91Å; S399-V401 VanDerWaalsContact C-N 3.32Å; S399-V401 PolarHBondContact O-N 3.24Å; S399-L402 PolarHBondContact O-N 3.01Å; S399-S403 WeakPolarHBondContact O-CB 3.49Å; S399-S403 PolarHBondContact O-N 2.91Å; S399-S403 PolarHBondContact O-OG 2.89Å
400D83.4Confident72.4Confident48 Ų4870.8 Ų70.826%0.25736%0.358SS..Hα-helixtrans-63.8-34.9177.6-60.1-48000112.9F398 E458 K461 V462F398-D400 PolarHBondContact O-N 3.45Å; F398-D400 VanDerWaalsContact O-N 3.16Å; D400-E458 HydrophobicContact CB-CG 3.85Å; D400-K461 IonicContact OD1-NZ 3.8Å; D400-K461 VanDerWaalsContact OD2-CD 3.25Å; D400-K461 WeakPolarHBondContact OD2-CD 3.42Å; D400-K461 VanDerWaalsContact OD2-CE 3.23Å; D400-K461 WeakPolarHBondContact OD2-CE 3.25Å; D400-K461 IonicContact OD2-NZ 3.97Å; D400-K461 PolarHBondContact OD2-NZ 2.8Å; D400-V462 HydrophobicContact CB-CG2 4.37Å
401V82.8Confident69.6Low6 Ų679.1 Ų79.14%0.03639%0.391CS..Hα-helixtrans-81-41.1177.2178.60000110.8F398 S399 V462 K496 F500F398-V401 HydrophobicContact CB-CB 4.5Å; F398-V401 HydrophobicContact CD1-CG2 4.14Å; F398-V401 PolarHBondContact O-N 2.87Å; S399-V401 VanDerWaalsContact C-N 3.32Å; S399-V401 PolarHBondContact O-N 3.24Å; V401-V462 HydrophobicContact CG2-CG1 3.91Å; V401-V462 HydrophobicContact CG2-CG2 3.69Å; V401-K496 HydrophobicContact CG1-CB 3.76Å; V401-F500 HydrophobicContact CG2-CD2 4.29Å; V401-F500 HydrophobicContact CG2-CG 4.49Å
402L81.9Confident66.6Low19 Ų1985.7 Ų85.710%0.09942%0.42CS..Hα-helixtrans-80.3-29.1-171.6-67.3173.2000114R395 F398 S399 K404 L490 L493 K496R395-L402 HydrophobicContact CB-CD1 4.48Å; R395-L402 HydrophobicContact CG-CD1 4.26Å; F398-L402 HydrophobicContact CB-CD1 4.05Å; F398-L402 HydrophobicContact CB-CG 4.18Å; F398-L402 WeakPolarHBondContact O-CB 3.5Å; F398-L402 WeakPolarHBondContact O-CG 3.21Å; F398-L402 PolarHBondContact O-N 3.46Å; S399-L402 PolarHBondContact O-N 3.01Å; L402-K404 PolarHBondContact O-N 3.03Å; L402-L490 HydrophobicContact CD1-CD2 3.76Å; L402-L490 HydrophobicContact CD2-CD2 3.55Å; L402-L490 HydrophobicContact CG-CD2 4.32Å; L402-L493 HydrophobicContact CD2-CD1 4.14Å; L402-L493 HydrophobicContact CG-CD1 4.47Å; L402-K496 HydrophobicContact CD2-CD 4Å; L402-K496 PolarHBondContact O-NZ 3.45Å
403S72.5Confident63.6Low95 Ų9586.6 Ų86.666%0.66444%0.442SS*.THydrogen-bonded Turntrans-68.1-14.2-17958.70000114S399 K405S399-S403 WeakPolarHBondContact O-CB 3.49Å; S399-S403 PolarHBondContact O-N 2.91Å; S399-S403 PolarHBondContact O-OG 2.89Å; S403-K405 PolarHBondContact O-N 3.36Å
404K61.3Low60.6Low100 Ų10095.6 Ų95.644%0.43549%0.485SS..  trans-72.9115178.9-149176.6-171.8-174.80110.6L402 L406 E503L402-K404 PolarHBondContact O-N 3.03Å; K404-L406 PolarHBondContact O-N 3.3Å; K404-E503 IonicContact NZ-OE1 3.62Å; K404-E503 PolarHBondContact NZ-OE1 3.38Å; K404-E503 IonicContact NZ-OE2 3.9Å; K404-E503 PolarHBondContact NZ-OE2 3.5Å
405K49Very low57.3Low191 Ų191103.6 Ų103.683%0.8353%0.526SS*.  trans-68124.6165.6-76-174.8177.8-179.40108.5S403 L407S403-K405 PolarHBondContact O-N 3.36Å; K405-L407 PolarHBondContact O-N 2.8Å
406L48.8Very low54.4Low106 Ų106103.6 Ų103.656%0.55554%0.543SS*.  trans-59.8122.4164.7-67.2163.7000107K404 E408 I445K404-L406 PolarHBondContact O-N 3.3Å; L406-E408 PolarHBondContact O-N 2.97Å; L406-E408 VanDerWaalsContact O-N 3.12Å; L406-I445 HydrophobicContact CD2-CD1 4.29Å
407L38.8Very low51.5Low144 Ų144107.8 Ų107.875%0.75458%0.579SS**  trans-54.6113.7-171.7-80153.6000112.2K405K405-L407 PolarHBondContact O-N 2.8Å
408E31.9Very low48.3Very low132 Ų132117 Ų11762%0.61762%0.622SS**PPolyproline II helixtrans-99.7122.3159.2-73.3178.8175.500107.6L406 K438L406-E408 PolarHBondContact O-N 2.97Å; L406-E408 VanDerWaalsContact O-N 3.12Å; E408-K438 WeakPolarHBondContact OE1-CE 3.35Å; E408-K438 IonicContact OE1-NZ 3.34Å; E408-K438 PolarHBondContact OE1-NZ 3.47Å; E408-K438 IonicContact OE2-NZ 2.7Å
409N34.7Very low45.6Very low111 Ų111122.5 Ų122.559%0.59466%0.658SS**PPolyproline II helixtrans-66.9151.9-165.3-80-22.7000115.2
410Q29.1Very low42.6Very low195 Ų195128.9 Ų128.991%0.91169%0.688SS**PPolyproline II helixtrans-62.3140.5161.9-75.8173-36.300112
411E30.9Very low39.8Very low199 Ų199131.8 Ų131.893%0.9371%0.711SS**PPolyproline II helixtrans-66.5138.3-178.5-69.6174.6143.800113.6
412M24.9Very low37.6Very low187 Ų187136.8 Ų136.892%0.92174%0.744SS**PPolyproline II helixtrans-101.8145.2161.9-103.4-175.3-6600110.1
413A27.5Very low35Very low104 Ų104145.4 Ų145.486%0.8678%0.784SS**PPolyproline II helixtrans-57.1152.5-166.300000117.2
414Q28.3Very low32.8Very low191 Ų191148.8 Ų148.889%0.89379%0.794SS**PPolyproline II helixtrans-63.9144.3-177.8-63.6168.3-19.600114.7
415L23.9Very low31Very low168 Ų168149.8 Ų149.888%0.8881%0.814SS**  trans-136.1141.2151.5-84.7160000108.9
416P29.6Very low30Very low127 Ų127148.8 Ų148.883%0.82582%0.817SS**  trans-90.9151.1-16134.6-32.9000114.7
417A29.9Very low29.1Very low100 Ų100149.1 Ų149.183%0.82683%0.825SS**  trans-80.5160.8-175.100000114.8
418Q24.2Very low28.5Very low194 Ų194151.3 Ų151.391%0.90783%0.834SS**  trans-117.4152.7159.6-80.8-167.5-10.900111.8
419P34.3Very low28.3Very low117 Ų117153.9 Ų153.976%0.7684%0.843SS**  trans-113.9143.6-16337.3-23.8000114.3
420I26.7Very low27.9Very low173 Ų173156.1 Ų156.189%0.88786%0.855SS**  trans-138.6145.8157-58.4-178000110.8
421S25.4Very low28Very low108 Ų108154.6 Ų154.676%0.75585%0.852SS**  trans-79.5176.8-158.2410000117.5
422P35.3Very low28.1Very low112 Ų112154 Ų15473%0.72785%0.847SS**  trans-112.3155.3-150.140.2-30.9000115.2
423Q27.4Very low28.2Very low200 Ų200154.1 Ų154.194%0.93584%0.843SS**  trans-148151.8151.7-75.3-162.1-21.800113.2
424N26.7Very low28.2Very low165 Ų165161 Ų16188%0.88285%0.846SS**  trans-88.6146.5-151-73-36.8000117.1
425S24.5Very low28.3Very low122 Ų122155.6 Ų155.685%0.85383%0.834SS**  trans-159134.1140.1640000111.7
426L26.6Very low28.7Very low170 Ų170155.7 Ų155.789%0.8983%0.828SS**  trans-64.4170.5-170.5-82.1148.3000116.2
427P30.2Very low28.7Very low112 Ų112158.8 Ų158.873%0.72783%0.831SS**  trans-102.7114.2-13537.1-31.4000114.6
428M26.2Very low28.9Very low191 Ų191160.3 Ų160.394%0.94182%0.819SS**  trans-131.753153.9-139.7-150.5-78.300109.6
429K28.9Very low29.6Very low185 Ų185155.8 Ų155.880%0.80481%0.809SS**  trans-150.281.2178.7-75.2-172.4178.7173.60109.8
430N26.2Very low29.3Very low158 Ų158154.7 Ų154.785%0.84581%0.81SS**SBendtrans-14618.8165.6-97.6-13.5000115.5
431L31.1Very low29.6Very low163 Ų163148.8 Ų148.885%0.85378%0.784SS**SBendtrans-114.8-22.3162.9-96.2117.1000114.3
432F32.8Very low30.2Very low186 Ų186146.1 Ų146.182%0.81676%0.763SS**THydrogen-bonded Turntrans-93.88.3-173.4-75-78.6000116.1
433K26.8Very low30.1Very low191 Ų191151.8 Ų151.883%0.8377%0.77SS**THydrogen-bonded Turntrans-105.64.3-178.3-132.3-179.5-177.5-176.50115.9
434R27.2Very low30.6Very low249 Ų249147.9 Ų147.994%0.9476%0.755SS**SBendtrans-94-0.6167.3-103.6-179.9176.5169.8-1114.3
435A31.4Very low31.5Very low76 Ų76144 Ų14463%0.62873%0.733SS**SBendtrans-102.5-4.5-178.800000114.8
436F30.9Very low32.5Very low171 Ų171141.2 Ų141.275%0.7571%0.709SS**SBendtrans-118.220.1-168.1-122.7-89000116.3
437Q29.7Very low33.6Very low191 Ų191140.9 Ų140.989%0.89370%0.7SS**SBendtrans-129.928.9172.5-84.4-173.8-21.300114.2
438K33.7Very low34.6Very low133 Ų133139.4 Ų139.458%0.57869%0.691SS**  trans-106.328.2166.4-71.6-172.2-177.4-178.70112.6E408 A440E408-K438 WeakPolarHBondContact OE1-CE 3.35Å; E408-K438 IonicContact OE1-NZ 3.34Å; E408-K438 PolarHBondContact OE1-NZ 3.47Å; E408-K438 IonicContact OE2-NZ 2.7Å; K438-A440 PolarHBondContact O-N 3Å
439S39.4Very low36Very low98 Ų98135.5 Ų135.569%0.68568%0.677SS**THydrogen-bonded Turntrans-93.736.9-170.4-51.10000114.5
440A28.7Very low37.4Very low95 Ų95127.3 Ų127.379%0.78565%0.645SS**THydrogen-bonded Turntrans-149.420.8175.200000115.9K438K438-A440 PolarHBondContact O-N 3Å
441S32.7Very low39.3Very low48 Ų48123 Ų12334%0.33664%0.638SS.*  trans-113.17.1179.868.40000116R443S441-R443 PolarHBondContact O-N 2.87Å
442V37.3Very low41.5Very low53 Ų53117 Ų11732%0.32161%0.605SS.*G310 helixtrans-85.2-3.7-164.3-174.50000115.2N444 L446 E560V442-N444 VanDerWaalsContact C-N 3.33Å; V442-N444 PolarHBondContact O-N 3.31Å; V442-L446 HydrophobicContact CG1-CD1 4.26Å; V442-E560 VanDerWaalsContact CG1-OE2 3.26Å; V442-E560 WeakPolarHBondContact CG1-OE2 3.5Å
443R32.9Very low43.9Very low230 Ų230117.2 Ų117.287%0.86860%0.6SS**G310 helixtrans-74.1-13.1-176.9-73.7-171.8-164.4172.86.3116S441S441-R443 PolarHBondContact O-N 2.87Å
444N39.2Very low46.5Very low118 Ų118109.8 Ų109.863%0.63157%0.571SS**G310 helixtrans-107-4-169.1-73.3-10.1000116.2V442V442-N444 VanDerWaalsContact C-N 3.33Å; V442-N444 PolarHBondContact O-N 3.31Å
445I45.9Very low49.2Very low83 Ų83103.5 Ų103.543%0.42656%0.556SS.*SBendtrans-94.6-14.2177.7-62.1171.8000112L406L406-I445 HydrophobicContact CD2-CD1 4.29Å
446L45.2Very low51.9Low65 Ų65101.6 Ų101.634%0.3454%0.538SS..SBendtrans-97.33.3-168.2-67.4165.9000115.5V442 E560 T564V442-L446 HydrophobicContact CG1-CD1 4.26Å; L446-E560 HydrophobicContact CD2-CB 4.33Å; L446-T564 HydrophobicContact CD2-CG2 3.53Å
447K48.6Very low54.5Low162 Ų16297.6 Ų97.670%0.70454%0.537SS*.SBendtrans-116139.7174.1-75.2-175.8177.7-179.90109.6V449K447-V449 VanDerWaalsContact C-N 3.28Å; K447-V449 VanDerWaalsContact O-CG2 3.31Å; K447-V449 WeakPolarHBondContact O-CG2 3.28Å; K447-V449 PolarHBondContact O-N 3.16Å
448P51.6Low57.3Low81 Ų8191.5 Ų91.553%0.52651%0.508SS..  trans-54.999.8164.919.9-27.4000107.8G450P448-G450 PolarHBondContact O-N 2.96Å
449V54.8Low59.9Low110 Ų11085.1 Ų85.167%0.66748%0.48SS*.  trans-70.1-27.7178.9-1730000108.7K447K447-V449 VanDerWaalsContact C-N 3.28Å; K447-V449 VanDerWaalsContact O-CG2 3.31Å; K447-V449 WeakPolarHBondContact O-CG2 3.28Å; K447-V449 PolarHBondContact O-N 3.16Å
450G59.9Low62.4Low12 Ų1282.5 Ų82.512%0.12446%0.457CS..  trans58.4178.6-169.800000111.3P448 E503 G505P448-G450 PolarHBondContact O-N 2.96Å; G450-E503 CarbonylContact C-O 3.57Å; G450-G505 CarbonylContact C-O 3.55Å; G450-G505 WeakPolarHBondContact CA-O 2.93Å
451G64.9Low65.4Low67 Ų6780 Ų8069%0.69143%0.428SS*.  trans119.3-12.3165.800000116.2E503 G505G451-E503 PolarHBondContact N-O 3.3Å; G451-G505 PolarHBondContact N-O 3.46Å
452K78.5Confident68.3Low39 Ų3977.7 Ų77.717%0.1741%0.413CS..BIsolated β-bridgetrans-85.2128.1166.5-72.3-161.9178.3-161.60110.6E458 F500 E503 L504 G505K452-E458 IonicContact NZ-OE1 3.56Å; K452-E458 PolarHBondContact NZ-OE1 3.41Å; K452-E458 IonicContact NZ-OE2 2.59Å; K452-E458 PolarHBondContact NZ-OE2 3.11Å; K452-F500 HydrophobicContact CD-CD2 4.46Å; K452-F500 HydrophobicContact CD-CE2 4.09Å; K452-E503 VanDerWaalsContact CE-OE2 3.31Å; K452-E503 WeakPolarHBondContact CE-OE2 3.32Å; K452-E503 HydrophobicContact CG-CB 4.35Å; K452-E503 PolarHBondContact N-O 3.4Å; K452-E503 VanDerWaalsContact N-O 3.11Å; K452-L504 HydrophobicContact CB-CD2 4.33Å; K452-G505 PolarHBondContact O-N 3.04Å
453R81.5Confident71Confident189 Ų18975.2 Ų75.271%0.71340%0.398SS*.  trans-77.6134.7174.5-53.5-173.5173.8-179.4-1110.4D455 S456R453-D455 WeakPolarHBondContact CB-OD1 3.42Å; R453-D455 PolarHBondContact O-N 3.18Å; R453-S456 VanDerWaalsContact O-CB 3.31Å; R453-S456 WeakPolarHBondContact O-CB 3.21Å; R453-S456 PolarHBondContact O-N 3.45Å; R453-S456 VanDerWaalsContact O-N 3.13Å; R453-S456 PolarHBondContact O-OG 3.42Å
454V82.7Confident73.9Confident35 Ų3565.6 Ų65.621%0.21237%0.366CS..THydrogen-bonded Turntrans-65.3-28.9-175.8177.70000112.3S456 Q460 L512 L527V454-S456 VanDerWaalsContact C-N 3.31Å; V454-Q460 PolarHBondContact O-NE2 2.74Å; V454-L512 HydrophobicContact CG2-CD1 4.08Å; V454-L512 HydrophobicContact CG2-CD2 3.89Å; V454-L527 HydrophobicContact CG1-CD1 3.77Å; V454-L527 HydrophobicContact CG1-CD2 4.43Å; V454-L527 HydrophobicContact CG1-CG 4.49Å
455D82.7Confident76.6Confident118 Ų11860 Ų6063%0.63134%0.336SS*.THydrogen-bonded Turntrans-82.2-2.3177.663.4-26.5000113.8R453R453-D455 WeakPolarHBondContact CB-OD1 3.42Å; R453-D455 PolarHBondContact O-N 3.18Å
456S88.3Confident79Confident36 Ų3656 Ų5625%0.25232%0.316SS..SBendtrans-65.9144178.765.70000112.1R453 V454 E458 V459 Q460R453-S456 VanDerWaalsContact O-CB 3.31Å; R453-S456 WeakPolarHBondContact O-CB 3.21Å; R453-S456 PolarHBondContact O-N 3.45Å; R453-S456 VanDerWaalsContact O-N 3.13Å; R453-S456 PolarHBondContact O-OG 3.42Å; V454-S456 VanDerWaalsContact C-N 3.31Å; S456-E458 PolarHBondContact O-N 2.92Å; S456-V459 PolarHBondContact O-N 2.74Å; S456-V459 VanDerWaalsContact O-N 3.08Å; S456-V459 WeakPolarHBondContact OG-CB 3.38Å; S456-V459 WeakPolarHBondContact OG-CG2 3Å; S456-V459 PolarHBondContact OG-N 3.3Å; S456-Q460 PolarHBondContact O-N 3.27Å
457A86.7Confident81.4Confident87 Ų8754.4 Ų54.472%0.71931%0.308SS*.Hα-helixtrans-58.2-35.8-179.300000112.6Q460 K461A457-Q460 PolarHBondContact O-N 2.81Å; A457-K461 WeakPolarHBondContact O-CB 3.23Å; A457-K461 PolarHBondContact O-N 3.12Å
458E88.1Confident83.6Confident62 Ų6246.7 Ų46.729%0.2928%0.275SS..Hα-helixtrans-59.6-50174.3-168.4-162.5165.400111.3D400 K452 S456 Q460 K461 V462D400-E458 HydrophobicContact CB-CG 3.85Å; K452-E458 IonicContact NZ-OE1 3.56Å; K452-E458 PolarHBondContact NZ-OE1 3.41Å; K452-E458 IonicContact NZ-OE2 2.59Å; K452-E458 PolarHBondContact NZ-OE2 3.11Å; S456-E458 PolarHBondContact O-N 2.92Å; E458-Q460 PolarHBondContact O-N 3.4Å; E458-K461 PolarHBondContact O-N 3.39Å; E458-V462 WeakPolarHBondContact O-CG2 3.36Å; E458-V462 PolarHBondContact O-N 2.83Å
459V89.3Confident85.8Confident0 Ų042.9 Ų42.90%025%0.25CC..Hα-helixtrans-64.4-43.1-180174.20000111.3S456 K461 V462 C463 F500 L504S456-V459 PolarHBondContact O-N 2.74Å; S456-V459 VanDerWaalsContact O-N 3.08Å; S456-V459 WeakPolarHBondContact OG-CB 3.38Å; S456-V459 WeakPolarHBondContact OG-CG2 3Å; S456-V459 PolarHBondContact OG-N 3.3Å; V459-K461 VanDerWaalsContact C-N 3.35Å; V459-K461 PolarHBondContact O-N 2.89Å; V459-V462 PolarHBondContact O-N 3.25Å; V459-C463 WeakPolarHBondContact O-CB 3.47Å; V459-C463 PolarHBondContact O-N 3.25Å; V459-C463 PolarHBondContact O-SG 3.34Å; V459-F500 HydrophobicContact CB-CZ 4.37Å; V459-F500 HydrophobicContact CG2-CE1 4.42Å; V459-F500 HydrophobicContact CG2-CZ 3.77Å; V459-L504 HydrophobicContact CB-CD2 4.48Å; V459-L504 HydrophobicContact CG1-CD2 3.91Å; V459-L504 HydrophobicContact CG2-CD2 3.64Å
460Q91.1Very high87.7Confident42 Ų4238.2 Ų38.220%0.19622%0.221CC..Hα-helixtrans-62.3-42.3177.1-67-59.7-44.600111.7V454 S456 A457 E458 C463 S464V454-Q460 PolarHBondContact O-NE2 2.74Å; S456-Q460 PolarHBondContact O-N 3.27Å; A457-Q460 PolarHBondContact O-N 2.81Å; E458-Q460 PolarHBondContact O-N 3.4Å; Q460-C463 PolarHBondContact O-N 2.85Å; Q460-S464 WeakPolarHBondContact O-CB 3.29Å; Q460-S464 PolarHBondContact O-N 3.16Å; Q460-S464 PolarHBondContact O-OG 2.7Å
461K91.6Very high89.3Confident42 Ų4238.6 Ų38.618%0.18322%0.221CC..Hα-helixtrans-61.1-50.4176.4-179.1178.4164.7-155.30111.7D400 A457 E458 V459 C463 S464 I465D400-K461 IonicContact OD1-NZ 3.8Å; D400-K461 VanDerWaalsContact OD2-CD 3.25Å; D400-K461 WeakPolarHBondContact OD2-CD 3.42Å; D400-K461 VanDerWaalsContact OD2-CE 3.23Å; D400-K461 WeakPolarHBondContact OD2-CE 3.25Å; D400-K461 IonicContact OD2-NZ 3.97Å; D400-K461 PolarHBondContact OD2-NZ 2.8Å; A457-K461 WeakPolarHBondContact O-CB 3.23Å; A457-K461 PolarHBondContact O-N 3.12Å; E458-K461 PolarHBondContact O-N 3.39Å; V459-K461 VanDerWaalsContact C-N 3.35Å; V459-K461 PolarHBondContact O-N 2.89Å; K461-C463 VanDerWaalsContact C-N 3.35Å; K461-C463 PolarHBondContact O-N 2.87Å; K461-S464 PolarHBondContact O-N 3.45Å; K461-I465 HydrophobicContact CG-CD1 4.08Å; K461-I465 WeakPolarHBondContact O-CD1 3.35Å; K461-I465 WeakPolarHBondContact O-CG1 3.43Å; K461-I465 PolarHBondContact O-N 3.07Å
462V93.2Very high90.8Very high0 Ų035.4 Ų35.40%019%0.188CC..Hα-helixtrans-60.5-43.8178.2174.60000111.2F398 D400 V401 E458 V459 S464 I465 C466 L497 F500 M530F398-V462 HydrophobicContact CE1-CG1 4.41Å; D400-V462 HydrophobicContact CB-CG2 4.37Å; V401-V462 HydrophobicContact CG2-CG1 3.91Å; V401-V462 HydrophobicContact CG2-CG2 3.69Å; E458-V462 WeakPolarHBondContact O-CG2 3.36Å; E458-V462 PolarHBondContact O-N 2.83Å; V459-V462 PolarHBondContact O-N 3.25Å; V462-S464 PolarHBondContact O-N 3.07Å; V462-I465 PolarHBondContact O-N 3.49Å; V462-C466 PolarHBondContact O-N 3.31Å; V462-C466 PolarHBondContact O-SG 3.21Å; V462-C466 VanDerWaalsContact O-SG 3.34Å; V462-L497 HydrophobicContact CG1-CD1 4.39Å; V462-F500 HydrophobicContact CB-CE1 4.11Å; V462-F500 HydrophobicContact CB-CZ 4.01Å; V462-F500 HydrophobicContact CG1-CD1 4.27Å; V462-F500 HydrophobicContact CG1-CE1 3.83Å; V462-F500 HydrophobicContact CG1-CZ 4.16Å; V462-F500 HydrophobicContact CG2-CE2 4.35Å; V462-F500 HydrophobicContact CG2-CZ 4Å; V462-M530 HydrophobicContact CG1-SD 4.26Å
463C93.5Very high91.4Very high1 Ų133.6 Ų33.61%0.00718%0.18CC..Hα-helixtrans-63.7-41.5177.7-65.60000112.1V459 Q460 K461 I465 C466 V467 R526V459-C463 WeakPolarHBondContact O-CB 3.47Å; V459-C463 PolarHBondContact O-N 3.25Å; V459-C463 PolarHBondContact O-SG 3.34Å; Q460-C463 PolarHBondContact O-N 2.85Å; K461-C463 VanDerWaalsContact C-N 3.35Å; K461-C463 PolarHBondContact O-N 2.87Å; C463-I465 VanDerWaalsContact C-N 3.32Å; C463-I465 PolarHBondContact O-N 3.22Å; C463-C466 PolarHBondContact O-N 3.14Å; C463-V467 WeakPolarHBondContact O-CG2 3.41Å; C463-V467 PolarHBondContact O-N 3.3Å; C463-R526 HydrophobicContact CB-CB 4.04Å
464S94.2Very high91.8Very high29 Ų2926.2 Ų26.220%0.20316%0.156CC..Hα-helixtrans-61.4-38.7175.1-69.30000112.5V335 Q460 K461 V462 V467 L468V335-S464 WeakPolarHBondContact CG1-O 3.36Å; Q460-S464 WeakPolarHBondContact O-CB 3.29Å; Q460-S464 PolarHBondContact O-N 3.16Å; Q460-S464 PolarHBondContact O-OG 2.7Å; K461-S464 PolarHBondContact O-N 3.45Å; V462-S464 PolarHBondContact O-N 3.07Å; S464-V467 PolarHBondContact O-N 3.21Å; S464-L468 PolarHBondContact O-N 3.44Å
465I95.9Very high92.2Very high0 Ų025 Ų250%015%0.148CC..Hα-helixtrans-64.9-42.4174.4-65.1156.6000110.5V335 L397 F398 K461 V462 C463 V467 L468 Y469V335-I465 HydrophobicContact CG2-CG1 3.95Å; L397-I465 HydrophobicContact CB-CD1 4.23Å; L397-I465 HydrophobicContact CB-CG1 4.47Å; L397-I465 HydrophobicContact CB-CG2 4.15Å; L397-I465 WeakPolarHBondContact O-CD1 3.49Å; F398-I465 HydrophobicContact CD1-CG2 4.45Å; F398-I465 HydrophobicContact CD2-CG2 4.17Å; F398-I465 HydrophobicContact CE1-CB 4.5Å; F398-I465 HydrophobicContact CE1-CG2 3.92Å; F398-I465 HydrophobicContact CE2-CG2 3.62Å; F398-I465 HydrophobicContact CZ-CB 4.43Å; F398-I465 HydrophobicContact CZ-CG2 3.48Å; F398-I465 VanDerWaalsContact CZ-CG2 3.48Å; K461-I465 HydrophobicContact CG-CD1 4.08Å; K461-I465 WeakPolarHBondContact O-CD1 3.35Å; K461-I465 WeakPolarHBondContact O-CG1 3.43Å; K461-I465 PolarHBondContact O-N 3.07Å; V462-I465 PolarHBondContact O-N 3.49Å; C463-I465 VanDerWaalsContact C-N 3.32Å; C463-I465 PolarHBondContact O-N 3.22Å; I465-V467 VanDerWaalsContact C-N 3.33Å; I465-V467 PolarHBondContact O-N 3.44Å; I465-L468 WeakPolarHBondContact O-CB 3.29Å; I465-L468 PolarHBondContact O-N 3.49Å; I465-L468 VanDerWaalsContact O-N 3.17Å; I465-Y469 HydrophobicContact CG2-CD2 3.89Å; I465-Y469 HydrophobicContact CG2-CE2 3.63Å; I465-Y469 VanDerWaalsContact O-CD2 3.27Å; I465-Y469 WeakPolarHBondContact O-CD2 3.49Å; I465-Y469 PolarHBondContact O-N 2.9Å; I465-Y469 VanDerWaalsContact O-N 3.11Å
466C95.9Very high92.6Very high0 Ų019.4 Ų19.40%012%0.118CC..Hα-helixtrans-63-39.8176.1-68.40000112.3V462 C463 L468 Y469 Q470 M530 L533V462-C466 PolarHBondContact O-N 3.31Å; V462-C466 PolarHBondContact O-SG 3.21Å; V462-C466 VanDerWaalsContact O-SG 3.34Å; C463-C466 PolarHBondContact O-N 3.14Å; C466-L468 VanDerWaalsContact C-N 3.34Å; C466-Y469 PolarHBondContact O-N 2.96Å; C466-Q470 WeakPolarHBondContact O-CB 3.42Å; C466-Q470 PolarHBondContact O-N 2.95Å; C466-M530 HydrophobicContact CB-CB 3.88Å; C466-M530 HydrophobicContact CB-CG 4.28Å; C466-L533 HydrophobicContact CB-CD2 3.93Å
467V95.8Very high92.5Very high31 Ų3121 Ų2119%0.18813%0.127CC..Hα-helixtrans-61.3-42.5172.51710000110.8I339 C463 S464 I465 Y469 Q470 T471 R526 A529I339-V467 HydrophobicContact CD1-CB 4.35Å; I339-V467 HydrophobicContact CD1-CG1 3.96Å; I339-V467 HydrophobicContact CG1-CG1 4.45Å; C463-V467 WeakPolarHBondContact O-CG2 3.41Å; C463-V467 PolarHBondContact O-N 3.3Å; S464-V467 PolarHBondContact O-N 3.21Å; I465-V467 VanDerWaalsContact C-N 3.33Å; I465-V467 PolarHBondContact O-N 3.44Å; V467-Y469 PolarHBondContact O-N 3.13Å; V467-Q470 PolarHBondContact O-N 2.65Å; V467-T471 WeakPolarHBondContact O-CB 3.38Å; V467-T471 PolarHBondContact O-N 3.12Å; V467-T471 PolarHBondContact O-OG1 3.02Å; V467-R526 HydrophobicContact CG2-CB 4.36Å; V467-R526 HydrophobicContact CG2-CG 4.09Å; V467-A529 HydrophobicContact CG2-CB 3.76Å
468L96.4Very high92.5Very high0 Ų021.3 Ų21.30%011%0.114CC..Hα-helixtrans-55.4-50.1174.916764000112V335 L338 I339 L342 L388 S464 I465 C466 T471 T472V335-L468 HydrophobicContact CB-CD2 4.43Å; V335-L468 HydrophobicContact CG1-CB 3.99Å; V335-L468 HydrophobicContact CG1-CD2 4.2Å; V335-L468 HydrophobicContact CG2-CD2 4.09Å; L338-L468 HydrophobicContact CB-CD1 3.46Å; L338-L468 VanDerWaalsContact CB-CD1 3.46Å; L338-L468 HydrophobicContact CB-CD2 4.5Å; L338-L468 HydrophobicContact CD1-CD1 4.13Å; L338-L468 HydrophobicContact CD1-CD2 3.99Å; L338-L468 HydrophobicContact CG-CD1 4.47Å; I339-L468 HydrophobicContact CD1-CB 4.13Å; I339-L468 HydrophobicContact CG1-CB 3.86Å; I339-L468 HydrophobicContact CG1-CD1 4.14Å; L342-L468 HydrophobicContact CD1-CD1 3.82Å; L388-L468 HydrophobicContact CD1-CD2 4.3Å; S464-L468 PolarHBondContact O-N 3.44Å; I465-L468 WeakPolarHBondContact O-CB 3.29Å; I465-L468 PolarHBondContact O-N 3.49Å; I465-L468 VanDerWaalsContact O-N 3.17Å; C466-L468 VanDerWaalsContact C-N 3.34Å; L468-T471 PolarHBondContact O-N 2.91Å; L468-T472 WeakPolarHBondContact O-CB 3.49Å; L468-T472 PolarHBondContact O-N 3.49Å; L468-T472 PolarHBondContact O-OG1 3.43Å
469Y96.4Very high92.5Very high0 Ų018.9 Ų18.90%010%0.103CC..Hα-helixtrans-68.6-36179.7-73.1-69.3000112.6L388 W389 L397 F398 I465 C466 V467 T472 L473 L487 L533L388-Y469 HydrophobicContact CG-CE1 4.19Å; L388-Y469 PolarHBondContact O-OH 2.9Å; W389-Y469 HydrophobicContact CB-CE1 4.34Å; L397-Y469 HydrophobicContact CD1-CE2 4.35Å; F398-Y469 HydrophobicContact CD2-CE2 4.5Å; F398-Y469 HydrophobicContact CE2-CD2 4.03Å; F398-Y469 AromaticContact CE2-CE2 3.57Å; F398-Y469 HydrophobicContact CE2-CE2 3.57Å; F398-Y469 HydrophobicContact CZ-CD2 4.23Å; F398-Y469 HydrophobicContact CZ-CE2 4.2Å; I465-Y469 HydrophobicContact CG2-CD2 3.89Å; I465-Y469 HydrophobicContact CG2-CE2 3.63Å; I465-Y469 VanDerWaalsContact O-CD2 3.27Å; I465-Y469 WeakPolarHBondContact O-CD2 3.49Å; I465-Y469 PolarHBondContact O-N 2.9Å; I465-Y469 VanDerWaalsContact O-N 3.11Å; C466-Y469 PolarHBondContact O-N 2.96Å; V467-Y469 PolarHBondContact O-N 3.13Å; Y469-T472 WeakPolarHBondContact O-CB 3.49Å; Y469-T472 PolarHBondContact O-N 2.94Å; Y469-L473 WeakPolarHBondContact O-CB 3.38Å; Y469-L473 VanDerWaalsContact O-CG 3.25Å; Y469-L473 WeakPolarHBondContact O-CG 3.48Å; Y469-L473 PolarHBondContact O-N 3.41Å; Y469-L487 HydrophobicContact CD1-CD1 4Å; Y469-L487 HydrophobicContact CD1-CD2 3.82Å; Y469-L487 HydrophobicContact CD1-CG 4.33Å; Y469-L487 HydrophobicContact CD2-CD2 4.29Å; Y469-L487 HydrophobicContact CE1-CD2 3.67Å; Y469-L487 HydrophobicContact CE1-CG 4.48Å; Y469-L487 HydrophobicContact CE2-CD2 4.16Å; Y469-L487 HydrophobicContact CG-CD1 4.17Å; Y469-L487 HydrophobicContact CG-CD2 4.12Å; Y469-L533 HydrophobicContact CD2-CD2 4.4Å; Y469-L533 HydrophobicContact CG-CD2 4.47Å
470Q94.9Very high92.4Very high13 Ų1322 Ų226%0.06111%0.114CC..Hα-helixtrans-61.2-48.6171.5-82.5-63.9-19.700112.2C466 V467 T472 L473 T474 A529 L533C466-Q470 WeakPolarHBondContact O-CB 3.42Å; C466-Q470 PolarHBondContact O-N 2.95Å; V467-Q470 PolarHBondContact O-N 2.65Å; Q470-T472 PolarHBondContact O-N 2.98Å; Q470-L473 PolarHBondContact O-N 3.09Å; Q470-L473 VanDerWaalsContact O-N 3.13Å; Q470-T474 WeakPolarHBondContact O-CG2 3.24Å; Q470-T474 PolarHBondContact O-N 3.44Å; Q470-T474 PolarHBondContact O-OG1 3.12Å; Q470-A529 HydrophobicContact CG-CB 4.38Å; Q470-A529 WeakPolarHBondContact CG-O 3.33Å; Q470-L533 HydrophobicContact CG-CB 4.05Å; Q470-L533 HydrophobicContact CG-CD1 4.41Å
471T94.4Very high92.2Very high19 Ų1925.6 Ų25.612%0.11713%0.134CC..Hα-helixtrans-60.7-35.6174.9-54.80000111.3L342 V467 L468 T474 T475L342-T471 HydrophobicContact CB-CG2 3.65Å; L342-T471 HydrophobicContact CD1-CG2 4.43Å; V467-T471 WeakPolarHBondContact O-CB 3.38Å; V467-T471 PolarHBondContact O-N 3.12Å; V467-T471 PolarHBondContact O-OG1 3.02Å; L468-T471 PolarHBondContact O-N 2.91Å; T471-T474 WeakPolarHBondContact CA-OG1 3.43Å; T471-T474 PolarHBondContact O-OG1 3.49Å; T471-T474 VanDerWaalsContact O-OG1 3.12Å; T471-T475 WeakPolarHBondContact O-CB 3.31Å; T471-T475 PolarHBondContact O-N 3.07Å; T471-T475 PolarHBondContact O-OG1 3.05Å
472T94.7Very high91.8Very high0 Ų027.6 Ų27.60%014%0.144CC..Hα-helixtrans-65.3-45.5174.8-54.20000111L342 L388 L468 Y469 Q470 T474 T475 L476 I483L342-T472 VanDerWaalsContact CD1-OG1 3.26Å; L342-T472 WeakPolarHBondContact CD1-OG1 3.41Å; L388-T472 HydrophobicContact CD2-CG2 4.21Å; L468-T472 WeakPolarHBondContact O-CB 3.49Å; L468-T472 PolarHBondContact O-N 3.49Å; L468-T472 PolarHBondContact O-OG1 3.43Å; Y469-T472 WeakPolarHBondContact O-CB 3.49Å; Y469-T472 PolarHBondContact O-N 2.94Å; Q470-T472 PolarHBondContact O-N 2.98Å; T472-T474 VanDerWaalsContact C-N 3.34Å; T472-T474 PolarHBondContact O-N 3.12Å; T472-T475 PolarHBondContact O-N 3.39Å; T472-L476 HydrophobicContact CG2-CD1 3.6Å; T472-L476 HydrophobicContact CG2-CG 4.16Å; T472-L476 WeakPolarHBondContact O-CB 3.48Å; T472-L476 PolarHBondContact O-N 3.07Å; T472-I483 HydrophobicContact CG2-CD1 3.77Å; T472-I483 HydrophobicContact CG2-CG1 4.45Å
473L92.4Very high91.7Very high1 Ų127.6 Ų27.61%0.00514%0.144CC..Hα-helixtrans-65.9-32.1179.3-74.3171.5000113.4Y469 Q470 R480 I483 L484 L533Y469-L473 WeakPolarHBondContact O-CB 3.38Å; Y469-L473 VanDerWaalsContact O-CG 3.25Å; Y469-L473 WeakPolarHBondContact O-CG 3.48Å; Y469-L473 PolarHBondContact O-N 3.41Å; Q470-L473 PolarHBondContact O-N 3.09Å; Q470-L473 VanDerWaalsContact O-N 3.13Å; L473-R480 HydrophobicContact CD2-CG 3.74Å; L473-I483 HydrophobicContact CD2-CB 3.86Å; L473-I483 HydrophobicContact CD2-CD1 4.43Å; L473-I483 HydrophobicContact CD2-CG2 3.69Å; L473-I483 HydrophobicContact CG-CG2 4.19Å; L473-L484 HydrophobicContact CD1-CD2 3.89Å; L473-L484 HydrophobicContact CD2-CD2 3.8Å; L473-L484 HydrophobicContact CD2-CG 3.74Å; L473-L533 HydrophobicContact CD1-CD1 3.71Å
474T90.3Very high91.5Very high35 Ų3527.7 Ų27.722%0.21515%0.145CC..Hα-helixtrans-84.9-29.8177.356.70000112.8Q470 T471 T472 T477Q470-T474 WeakPolarHBondContact O-CG2 3.24Å; Q470-T474 PolarHBondContact O-N 3.44Å; Q470-T474 PolarHBondContact O-OG1 3.12Å; T471-T474 WeakPolarHBondContact CA-OG1 3.43Å; T471-T474 PolarHBondContact O-OG1 3.49Å; T471-T474 VanDerWaalsContact O-OG1 3.12Å; T472-T474 VanDerWaalsContact C-N 3.34Å; T472-T474 PolarHBondContact O-N 3.12Å; T474-T477 WeakPolarHBondContact O-CG2 2.81Å
475T91.1Very high91.1Very high8 Ų829.4 Ų29.45%0.04915%0.154CC..Hα-helixtrans-82.4-45.1178.8-55.50000112L342 C345 Q346 L363 T471 T472 T477L342-T475 HydrophobicContact CB-CG2 4.43Å; L342-T475 HydrophobicContact CD2-CG2 4.1Å; L342-T475 PolarHBondContact O-OG1 2.65Å; C345-T475 HydrophobicContact CB-CG2 3.95Å; Q346-T475 HydrophobicContact CB-CG2 4.33Å; L363-T475 HydrophobicContact CD2-CG2 4.24Å; T471-T475 WeakPolarHBondContact O-CB 3.31Å; T471-T475 PolarHBondContact O-N 3.07Å; T471-T475 PolarHBondContact O-OG1 3.05Å; T472-T475 PolarHBondContact O-N 3.39Å; T475-T477 PolarHBondContact O-N 2.93Å
476L91.3Very high90.6Very high1 Ų130.1 Ų30.11%0.00516%0.161CC..  trans-98.354.2-172.8-47.4-176.7000111.5L310 L342 V362 L363 T472 Q478 I479 R480 I483L310-L476 HydrophobicContact CD1-CD2 3.96Å; L342-L476 HydrophobicContact CD2-CD1 4.49Å; L342-L476 HydrophobicContact CD2-CD2 4.2Å; L342-L476 HydrophobicContact CD2-CG 4.34Å; V362-L476 HydrophobicContact CG1-CB 4.33Å; V362-L476 HydrophobicContact CG1-CD2 3.66Å; V362-L476 HydrophobicContact CG1-CG 4.4Å; L363-L476 HydrophobicContact CD2-CD2 4.14Å; T472-L476 HydrophobicContact CG2-CD1 3.6Å; T472-L476 HydrophobicContact CG2-CG 4.16Å; T472-L476 WeakPolarHBondContact O-CB 3.48Å; T472-L476 PolarHBondContact O-N 3.07Å; L476-Q478 PolarHBondContact O-N 2.84Å; L476-Q478 VanDerWaalsContact O-N 3.12Å; L476-I479 HydrophobicContact CB-CD1 4.1Å; L476-I479 HydrophobicContact CB-CG1 3.74Å; L476-I479 HydrophobicContact CD1-CD1 4.07Å; L476-I479 WeakPolarHBondContact O-CG1 3.49Å; L476-I479 PolarHBondContact O-N 3.43Å; L476-I479 VanDerWaalsContact O-N 3.09Å; L476-R480 PolarHBondContact O-N 3.26Å; L476-I483 HydrophobicContact CB-CD1 4.06Å; L476-I483 HydrophobicContact CD1-CD1 4.4Å
477T86.3Confident90.2Very high71 Ų7130.2 Ų30.244%0.43616%0.162SC..G310 helixtrans-55.8-33.6-170.7580000114.5T474 T475 I479 R480T474-T477 WeakPolarHBondContact O-CG2 2.81Å; T475-T477 PolarHBondContact O-N 2.93Å; T477-I479 VanDerWaalsContact C-N 3.3Å; T477-I479 PolarHBondContact O-N 2.74Å; T477-R480 WeakPolarHBondContact O-CB 3.33Å; T477-R480 PolarHBondContact O-N 3.3Å
478Q86.1Confident89.7Confident93 Ų9329 Ų2944%0.43516%0.155SC..G310 helixtrans-70.6-25.3-177.7-57.4-53.9-66.700113.3P361 L476P361-Q478 WeakPolarHBondContact O-CB 3.29Å; P361-Q478 WeakPolarHBondContact O-CG 3.49Å; L476-Q478 PolarHBondContact O-N 2.84Å; L476-Q478 VanDerWaalsContact O-N 3.12Å
479I87.1Confident88.9Confident11 Ų1137.3 Ų37.36%0.05619%0.187CC..G310 helixtrans-113.715.8179.660173.6000112.3V362 T382 W389 L476 T477 L481 Q482 I483V362-I479 HydrophobicContact CG1-CD1 4.08Å; T382-I479 HydrophobicContact CG2-CG2 4.36Å; W389-I479 HydrophobicContact CH2-CD1 3.69Å; W389-I479 HydrophobicContact CZ2-CD1 4.26Å; L476-I479 HydrophobicContact CB-CD1 4.1Å; L476-I479 HydrophobicContact CB-CG1 3.74Å; L476-I479 HydrophobicContact CD1-CD1 4.07Å; L476-I479 WeakPolarHBondContact O-CG1 3.49Å; L476-I479 PolarHBondContact O-N 3.43Å; L476-I479 VanDerWaalsContact O-N 3.09Å; T477-I479 VanDerWaalsContact C-N 3.3Å; T477-I479 PolarHBondContact O-N 2.74Å; I479-L481 VanDerWaalsContact C-N 3.29Å; I479-L481 PolarHBondContact O-N 3.24Å; I479-Q482 WeakPolarHBondContact O-CB 3.41Å; I479-Q482 PolarHBondContact O-N 3.3Å; I479-I483 HydrophobicContact CG1-CD1 4.14Å; I479-I483 PolarHBondContact O-N 3.35Å
480R88.9Confident88.2Confident65 Ų6537.6 Ų37.625%0.24519%0.189CC..Hα-helixtrans-50.6-44.6-178.4-175.8-178.2166.491.84.4113L473 L476 T477 Q482 I483 L484 D536L473-R480 HydrophobicContact CD2-CG 3.74Å; L476-R480 PolarHBondContact O-N 3.26Å; T477-R480 WeakPolarHBondContact O-CB 3.33Å; T477-R480 PolarHBondContact O-N 3.3Å; R480-Q482 VanDerWaalsContact C-N 3.34Å; R480-Q482 PolarHBondContact O-N 2.87Å; R480-I483 PolarHBondContact O-N 3.29Å; R480-L484 HydrophobicContact CG-CD1 4.27Å; R480-L484 WeakPolarHBondContact O-CG 3.39Å; R480-L484 PolarHBondContact O-N 3.04Å; R480-D536 IonicContact CZ-OD2 2.59Å; R480-D536 IonicContact NH2-OD1 3.64Å; R480-D536 PolarHBondContact NH2-OD1 3.5Å; R480-D536 IonicContact NH2-OD2 3.96Å; R480-D536 PolarHBondContact NH2-OD2 3.37Å
481L84.9Confident87.3Confident117 Ų11741.8 Ų41.861%0.61321%0.211SC*.Hα-helixtrans-66.9-33.3-179.9-65.2177000112.9I479 T485I479-L481 VanDerWaalsContact C-N 3.29Å; I479-L481 PolarHBondContact O-N 3.24Å; L481-T485 WeakPolarHBondContact O-CB 3.2Å; L481-T485 PolarHBondContact O-N 3.31Å; L481-T485 PolarHBondContact O-OG1 3.21Å
482Q85.1Confident86.7Confident85 Ų8543.3 Ų43.340%0.39722%0.219SC..Hα-helixtrans-67.3-40.4175.8-62.6-175.69.800111I479 R480 T485 G486I479-Q482 WeakPolarHBondContact O-CB 3.41Å; I479-Q482 PolarHBondContact O-N 3.3Å; R480-Q482 VanDerWaalsContact C-N 3.34Å; R480-Q482 PolarHBondContact O-N 2.87Å; Q482-T485 PolarHBondContact O-N 3.4Å; Q482-G486 PolarHBondContact O-N 3.46Å
483I90.3Very high86.5Confident0 Ų043.5 Ų43.50%022%0.22CC..Hα-helixtrans-63.1-49.6176.9-60.7157.8000110.1W389 T472 L473 L476 I479 R480 T485 G486 L487W389-I483 HydrophobicContact CD2-CB 4.29Å; W389-I483 HydrophobicContact CD2-CG1 3.83Å; W389-I483 HydrophobicContact CD2-CG2 4.43Å; W389-I483 HydrophobicContact CE3-CB 4.45Å; W389-I483 HydrophobicContact CE3-CG1 3.7Å; W389-I483 HydrophobicContact CE3-CG2 4.39Å; W389-I483 HydrophobicContact CH2-CG1 3.89Å; W389-I483 HydrophobicContact CZ2-CG1 3.97Å; W389-I483 HydrophobicContact CZ3-CD1 4.37Å; W389-I483 HydrophobicContact CZ3-CG1 3.74Å; T472-I483 HydrophobicContact CG2-CD1 3.77Å; T472-I483 HydrophobicContact CG2-CG1 4.45Å; L473-I483 HydrophobicContact CD2-CB 3.86Å; L473-I483 HydrophobicContact CD2-CD1 4.43Å; L473-I483 HydrophobicContact CD2-CG2 3.69Å; L473-I483 HydrophobicContact CG-CG2 4.19Å; L476-I483 HydrophobicContact CB-CD1 4.06Å; L476-I483 HydrophobicContact CD1-CD1 4.4Å; I479-I483 HydrophobicContact CG1-CD1 4.14Å; I479-I483 PolarHBondContact O-N 3.35Å; R480-I483 PolarHBondContact O-N 3.29Å; I483-T485 VanDerWaalsContact C-N 3.33Å; I483-T485 PolarHBondContact O-N 3.11Å; I483-G486 PolarHBondContact O-N 2.94Å; I483-L487 HydrophobicContact CG2-CD1 4.12Å; I483-L487 WeakPolarHBondContact O-CG 3.32Å; I483-L487 PolarHBondContact O-N 3.39Å
484L88.8Confident86.4Confident3 Ų343.6 Ų43.62%0.01622%0.221CC..Hα-helixtrans-58.8-45.7177.6-69.1170.9000111.3L473 R480 G486 L487 T488 D536 H540L473-L484 HydrophobicContact CD1-CD2 3.89Å; L473-L484 HydrophobicContact CD2-CD2 3.8Å; L473-L484 HydrophobicContact CD2-CG 3.74Å; R480-L484 HydrophobicContact CG-CD1 4.27Å; R480-L484 WeakPolarHBondContact O-CG 3.39Å; R480-L484 PolarHBondContact O-N 3.04Å; L484-G486 VanDerWaalsContact C-N 3.33Å; L484-G486 PolarHBondContact O-N 3.35Å; L484-L487 PolarHBondContact O-N 3.45Å; L484-T488 VanDerWaalsContact O-CG2 3.27Å; L484-T488 WeakPolarHBondContact O-CG2 3.45Å; L484-T488 PolarHBondContact O-N 3.31Å; L484-T488 PolarHBondContact O-OG1 3.23Å; L484-D536 HydrophobicContact CD2-CB 4.2Å; L484-H540 HydrophobicContact CB-CB 4.06Å; L484-H540 HydrophobicContact CD1-CB 4.21Å
485T85.9Confident86.4Confident65 Ų6542.9 Ų42.940%0.39922%0.216SC..Hα-helixtrans-61.7-39.8178.5-54.30000112.2L481 Q482 I483 T488 Y489 H540L481-T485 WeakPolarHBondContact O-CB 3.2Å; L481-T485 PolarHBondContact O-N 3.31Å; L481-T485 PolarHBondContact O-OG1 3.21Å; Q482-T485 PolarHBondContact O-N 3.4Å; I483-T485 VanDerWaalsContact C-N 3.33Å; I483-T485 PolarHBondContact O-N 3.11Å; T485-T488 WeakPolarHBondContact CA-OG1 3.37Å; T485-T488 PolarHBondContact O-N 3.22Å; T485-T488 PolarHBondContact O-OG1 3.12Å; T485-Y489 PolarHBondContact O-N 3.46Å; T485-Y489 VanDerWaalsContact O-N 3.16Å; T485-H540 PolarHBondContact OG1-NE2 3.37Å
486G84.6Confident86.2Confident15 Ų1544 Ų4416%0.15522%0.221CC..Hα-helixtrans-65.5-41.7176.100000113.3W389 I394 Q482 I483 L484 T488 Y489W389-G486 CarbonylContact O-C 3.22Å; I394-G486 WeakPolarHBondContact CD1-O 3.43Å; Q482-G486 PolarHBondContact O-N 3.46Å; I483-G486 PolarHBondContact O-N 2.94Å; L484-G486 VanDerWaalsContact C-N 3.33Å; L484-G486 PolarHBondContact O-N 3.35Å; G486-T488 VanDerWaalsContact C-N 3.28Å; G486-T488 PolarHBondContact O-N 2.94Å; G486-Y489 WeakPolarHBondContact O-CB 3.39Å; G486-Y489 PolarHBondContact O-N 3.13Å
487L87.9Confident86.2Confident2 Ų244.1 Ų44.11%0.0122%0.221CC..Hα-helixtrans-65.4-30.8176.2-70.8173.9000112.8I394 Y469 I483 L484 L533I394-L487 HydrophobicContact CD1-CD2 3.94Å; I394-L487 HydrophobicContact CG1-CD2 4.21Å; Y469-L487 HydrophobicContact CD1-CD1 4Å; Y469-L487 HydrophobicContact CD1-CD2 3.82Å; Y469-L487 HydrophobicContact CD1-CG 4.33Å; Y469-L487 HydrophobicContact CD2-CD2 4.29Å; Y469-L487 HydrophobicContact CE1-CD2 3.67Å; Y469-L487 HydrophobicContact CE1-CG 4.48Å; Y469-L487 HydrophobicContact CE2-CD2 4.16Å; Y469-L487 HydrophobicContact CG-CD1 4.17Å; Y469-L487 HydrophobicContact CG-CD2 4.12Å; I483-L487 HydrophobicContact CG2-CD1 4.12Å; I483-L487 WeakPolarHBondContact O-CG 3.32Å; I483-L487 PolarHBondContact O-N 3.39Å; L484-L487 PolarHBondContact O-N 3.45Å; L487-L533 HydrophobicContact CD1-CD1 4.1Å
488T86.3Confident86.5Confident6 Ų641.5 Ų41.54%0.03720%0.203CC..Hα-helixtrans-88-8.7-18059.10000113.8L484 T485 G486 L490 L494 C537 L541L484-T488 VanDerWaalsContact O-CG2 3.27Å; L484-T488 WeakPolarHBondContact O-CG2 3.45Å; L484-T488 PolarHBondContact O-N 3.31Å; L484-T488 PolarHBondContact O-OG1 3.23Å; T485-T488 WeakPolarHBondContact CA-OG1 3.37Å; T485-T488 PolarHBondContact O-N 3.22Å; T485-T488 PolarHBondContact O-OG1 3.12Å; G486-T488 VanDerWaalsContact C-N 3.28Å; G486-T488 PolarHBondContact O-N 2.94Å; T488-L490 PolarHBondContact O-N 3.21Å; T488-L494 HydrophobicContact CG2-CD1 4.23Å; T488-C537 HydrophobicContact CG2-CB 4.1Å; T488-C537 VanDerWaalsContact CG2-O 3.28Å; T488-C537 WeakPolarHBondContact CG2-O 3.42Å; T488-L541 HydrophobicContact CG2-CB 3.77Å
489Y80.1Confident86.5Confident173 Ų17338.2 Ų38.268%0.67819%0.192SC*.SBendtrans-68.1-23.5-179-168.4-88.8000113V391 T485 G486 D491V391-Y489 HydrophobicContact CG2-CD1 3.37Å; V391-Y489 HydrophobicContact CG2-CE1 3.88Å; V391-Y489 HydrophobicContact CG2-CG 4.32Å; T485-Y489 PolarHBondContact O-N 3.46Å; T485-Y489 VanDerWaalsContact O-N 3.16Å; G486-Y489 WeakPolarHBondContact O-CB 3.39Å; G486-Y489 PolarHBondContact O-N 3.13Å; Y489-D491 PolarHBondContact O-N 2.79Å
490L80.6Confident86.6Confident7 Ų738 Ų384%0.03719%0.191CC..SBendtrans-89.598.6176-162.399.7000109.8V391 I394 R395 L402 T488 D492 L493V391-L490 HydrophobicContact CG1-CD1 3.79Å; I394-L490 HydrophobicContact CG2-CD2 4.47Å; R395-L490 HydrophobicContact CG-CD1 4.09Å; R395-L490 VanDerWaalsContact CZ-CD1 3.47Å; L402-L490 HydrophobicContact CD1-CD2 3.76Å; L402-L490 HydrophobicContact CD2-CD2 3.55Å; L402-L490 HydrophobicContact CG-CD2 4.32Å; T488-L490 PolarHBondContact O-N 3.21Å; L490-D492 WeakPolarHBondContact CD2-OD1 3.42Å; L490-D492 VanDerWaalsContact CG-OD1 3.26Å; L490-D492 WeakPolarHBondContact CG-OD1 3.48Å; L490-D492 PolarHBondContact O-N 2.68Å; L490-L493 HydrophobicContact CB-CB 4.16Å; L490-L493 HydrophobicContact CD2-CB 3.75Å; L490-L493 HydrophobicContact CG-CB 4.49Å; L490-L493 WeakPolarHBondContact O-CB 3.42Å; L490-L493 PolarHBondContact O-N 3.38Å
491D76.1Confident86.6Confident100 Ų10035 Ų3554%0.53518%0.179SC..THydrogen-bonded Turntrans-52.9-30.8-171.6-62.6-26.3000114.8Y489 P495 S556Y489-D491 PolarHBondContact O-N 2.79Å; D491-P495 WeakPolarHBondContact O-CD 3.34Å; D491-S556 PolarHBondContact O-OG 3.16Å
492D82.9Confident86.6Confident51 Ų5130.9 Ų30.927%0.27316%0.16SC..THydrogen-bonded Turntrans-93.6-6.1-176.470.3-36.6000114.7L490 K496L490-D492 WeakPolarHBondContact CD2-OD1 3.42Å; L490-D492 VanDerWaalsContact CG-OD1 3.26Å; L490-D492 WeakPolarHBondContact CG-OD1 3.48Å; L490-D492 PolarHBondContact O-N 2.68Å; D492-K496 HydrophobicContact CB-CD 4.4Å; D492-K496 VanDerWaalsContact O-CB 3.32Å; D492-K496 WeakPolarHBondContact O-CB 3.4Å; D492-K496 WeakPolarHBondContact O-CD 3.25Å; D492-K496 WeakPolarHBondContact O-CG 3.41Å; D492-K496 PolarHBondContact O-N 2.86Å; D492-K496 WeakPolarHBondContact OD2-CE 3.26Å; D492-K496 IonicContact OD2-NZ 2.74Å; D492-K496 PolarHBondContact OD2-NZ 2.63Å
493L88.6Confident86.6Confident4 Ų428.7 Ų28.72%0.02115%0.15CC..Hα-helixtrans-65.6-55.9-178.5-179.363.2000111.9I394 F398 L402 L490 K496 L497I394-L493 HydrophobicContact CG2-CD1 4.43Å; I394-L493 HydrophobicContact CG2-CD2 3.84Å; F398-L493 HydrophobicContact CB-CD1 3.9Å; F398-L493 HydrophobicContact CD1-CD1 4.17Å; F398-L493 HydrophobicContact CD2-CD1 3.95Å; F398-L493 HydrophobicContact CD2-CD2 4.5Å; F398-L493 HydrophobicContact CE2-CD1 4.46Å; F398-L493 HydrophobicContact CE2-CD2 4.49Å; F398-L493 HydrophobicContact CG-CD1 3.76Å; L402-L493 HydrophobicContact CD2-CD1 4.14Å; L402-L493 HydrophobicContact CG-CD1 4.47Å; L490-L493 HydrophobicContact CB-CB 4.16Å; L490-L493 HydrophobicContact CD2-CB 3.75Å; L490-L493 HydrophobicContact CG-CB 4.49Å; L490-L493 WeakPolarHBondContact O-CB 3.42Å; L490-L493 PolarHBondContact O-N 3.38Å; L493-K496 PolarHBondContact O-N 3.29Å; L493-L497 VanDerWaalsContact O-CB 3.3Å; L493-L497 WeakPolarHBondContact O-CB 3.44Å; L493-L497 PolarHBondContact O-N 2.88Å
494L91.1Very high86.4Confident4 Ų428.7 Ų28.72%0.02115%0.15CC..Hα-helixtrans-66.5-42.1-173.6-58.1-179.3000113.2T488 K496 L497 W498 F534 C537 L541 F557T488-L494 HydrophobicContact CG2-CD1 4.23Å; L494-K496 VanDerWaalsContact C-N 3.34Å; L494-K496 PolarHBondContact O-N 3.27Å; L494-L497 PolarHBondContact O-N 2.79Å; L494-W498 PolarHBondContact O-N 2.79Å; L494-F534 HydrophobicContact CB-CE2 4.45Å; L494-C537 HydrophobicContact CD1-CB 4.12Å; L494-C537 HydrophobicContact CD2-CB 3.58Å; L494-C537 HydrophobicContact CG-CB 4.49Å; L494-L541 HydrophobicContact CD1-CB 4.32Å; L494-L541 HydrophobicContact CD1-CD2 3.81Å; L494-F557 HydrophobicContact CB-CE1 4.48Å; L494-F557 HydrophobicContact CB-CE2 4.15Å; L494-F557 HydrophobicContact CB-CZ 3.65Å; L494-F557 HydrophobicContact CD1-CE2 4.35Å
495P89.7Confident85.8Confident19 Ų1928.9 Ų28.912%0.12315%0.153CC..Hα-helixtrans-62-41175.1-2435.8000112.4D491 W498 A499 S556 F557D491-P495 WeakPolarHBondContact O-CD 3.34Å; P495-W498 PolarHBondContact O-N 2.85Å; P495-A499 PolarHBondContact O-N 3.09Å; P495-S556 WeakPolarHBondContact CG-O 3.26Å; P495-F557 HydrophobicContact CB-CE1 4.45Å; P495-F557 HydrophobicContact CG-CD1 4.25Å; P495-F557 HydrophobicContact CG-CE1 4.21Å
496K88.8Confident84.8Confident33 Ų3331.9 Ų31.914%0.14317%0.173CC..Hα-helixtrans-70.2-36.1176.5-70.8176.5176171.90112.4V401 L402 D492 L493 L494 W498 A499 F500V401-K496 HydrophobicContact CG1-CB 3.76Å; L402-K496 HydrophobicContact CD2-CD 4Å; L402-K496 PolarHBondContact O-NZ 3.45Å; D492-K496 HydrophobicContact CB-CD 4.4Å; D492-K496 VanDerWaalsContact O-CB 3.32Å; D492-K496 WeakPolarHBondContact O-CB 3.4Å; D492-K496 WeakPolarHBondContact O-CD 3.25Å; D492-K496 WeakPolarHBondContact O-CG 3.41Å; D492-K496 PolarHBondContact O-N 2.86Å; D492-K496 WeakPolarHBondContact OD2-CE 3.26Å; D492-K496 IonicContact OD2-NZ 2.74Å; D492-K496 PolarHBondContact OD2-NZ 2.63Å; L493-K496 PolarHBondContact O-N 3.29Å; L494-K496 VanDerWaalsContact C-N 3.34Å; L494-K496 PolarHBondContact O-N 3.27Å; K496-W498 VanDerWaalsContact C-N 3.34Å; K496-A499 PolarHBondContact O-N 3.13Å; K496-F500 WeakPolarHBondContact O-CB 3.37Å; K496-F500 PolarHBondContact O-N 3.3Å
497L90.8Very high83.8Confident3 Ų337.2 Ų37.22%0.01619%0.194CC..Hα-helixtrans-65.4-38.5173.7-173.862.9000111.2V462 L493 L494 F500 I501 M530 F534V462-L497 HydrophobicContact CG1-CD1 4.39Å; L493-L497 VanDerWaalsContact O-CB 3.3Å; L493-L497 WeakPolarHBondContact O-CB 3.44Å; L493-L497 PolarHBondContact O-N 2.88Å; L494-L497 PolarHBondContact O-N 2.79Å; L497-F500 WeakPolarHBondContact O-CB 3.29Å; L497-F500 PolarHBondContact O-N 3.43Å; L497-I501 HydrophobicContact CG-CD1 4.47Å; L497-I501 VanDerWaalsContact O-CG1 3.3Å; L497-I501 WeakPolarHBondContact O-CG1 3.37Å; L497-I501 PolarHBondContact O-N 3.28Å; L497-M530 HydrophobicContact CD1-CG 4.25Å; L497-M530 HydrophobicContact CD1-SD 4.25Å; L497-F534 HydrophobicContact CD2-CB 4.14Å; L497-F534 HydrophobicContact CD2-CD2 4.37Å
498W91.1Very high82.5Confident15 Ų1537.4 Ų37.46%0.05720%0.196CC..Hα-helixtrans-62.7-47.9172.3-179.8-118.6000112L494 P495 K496 F500 I501 C502 F534 I565 F568L494-W498 PolarHBondContact O-N 2.79Å; P495-W498 PolarHBondContact O-N 2.85Å; K496-W498 VanDerWaalsContact C-N 3.34Å; W498-F500 PolarHBondContact O-N 3.06Å; W498-I501 HydrophobicContact CE3-CB 4.33Å; W498-I501 HydrophobicContact CE3-CD1 4.32Å; W498-I501 HydrophobicContact CE3-CG2 4.14Å; W498-I501 HydrophobicContact CZ3-CG2 3.98Å; W498-I501 WeakPolarHBondContact O-CB 3.35Å; W498-I501 PolarHBondContact O-N 2.86Å; W498-I501 VanDerWaalsContact O-N 3.1Å; W498-C502 VanDerWaalsContact CE2-SG 3.6Å; W498-C502 PolarHBondContact O-N 3.13Å; W498-C502 PolarHBondContact O-SG 2.68Å; W498-C502 VanDerWaalsContact O-SG 3.42Å; W498-F534 HydrophobicContact CB-CD2 4.48Å; W498-F534 HydrophobicContact CB-CE2 3.66Å; W498-F534 HydrophobicContact CB-CZ 3.8Å; W498-F534 HydrophobicContact CD2-CE1 4.17Å; W498-F534 AromaticContact CD2-CZ 3.91Å; W498-F534 HydrophobicContact CD2-CZ 3.91Å; W498-F534 AromaticContact CE3-CD1 3.99Å; W498-F534 HydrophobicContact CE3-CD1 3.99Å; W498-F534 AromaticContact CE3-CE1 3.37Å; W498-F534 HydrophobicContact CE3-CE1 3.37Å; W498-F534 HydrophobicContact CE3-CE2 4.28Å; W498-F534 AromaticContact CE3-CZ 3.55Å; W498-F534 HydrophobicContact CE3-CZ 3.55Å; W498-F534 HydrophobicContact CG-CE2 4.38Å; W498-F534 HydrophobicContact CG-CZ 4.03Å; W498-F534 HydrophobicContact CZ3-CD1 4.35Å; W498-F534 AromaticContact CZ3-CE1 3.82Å; W498-F534 HydrophobicContact CZ3-CE1 3.82Å; W498-F534 HydrophobicContact CZ3-CZ 4.4Å; W498-I565 HydrophobicContact CD2-CD1 4.25Å; W498-I565 HydrophobicContact CD2-CG1 3.68Å; W498-I565 HydrophobicContact CE3-CG1 4.24Å; W498-I565 HydrophobicContact CG-CD1 4.2Å; W498-I565 HydrophobicContact CG-CG1 4.1Å; W498-I565 HydrophobicContact CH2-CG1 4.14Å; W498-I565 HydrophobicContact CZ2-CB 4.22Å; W498-I565 HydrophobicContact CZ2-CG1 3.56Å; W498-I565 HydrophobicContact CZ3-CG1 4.45Å; W498-F568 HydrophobicContact CH2-CB 3.81Å; W498-F568 AromaticContact CH2-CD1 3.96Å; W498-F568 HydrophobicContact CH2-CD1 3.96Å; W498-F568 HydrophobicContact CH2-CD2 4.03Å; W498-F568 AromaticContact CH2-CG 3.69Å; W498-F568 HydrophobicContact CH2-CG 3.69Å; W498-F568 HydrophobicContact CZ2-CB 4.36Å; W498-F568 HydrophobicContact CZ3-CD1 4.37Å; W498-F568 HydrophobicContact CZ3-CG 4.48Å
499A87.1Confident81.9Confident24 Ų2437.3 Ų37.320%0.19820%0.197CC..Hα-helixtrans-57-41.8174.900000111.5P495 K496 C502 E503P495-A499 PolarHBondContact O-N 3.09Å; K496-A499 PolarHBondContact O-N 3.13Å; A499-C502 PolarHBondContact O-N 3.25Å; A499-E503 WeakPolarHBondContact O-CG 3.42Å; A499-E503 PolarHBondContact O-N 2.85Å; A499-E503 VanDerWaalsContact O-N 3.15Å
500F88.4Confident82.1Confident8 Ų831.6 Ų31.64%0.03518%0.178CC..Hα-helixtrans-60-46174.6-172.8-92.5000112.2V401 K452 V459 V462 K496 L497 W498 C502 E503 L504 M530V401-F500 HydrophobicContact CG2-CD2 4.29Å; V401-F500 HydrophobicContact CG2-CG 4.49Å; K452-F500 HydrophobicContact CD-CD2 4.46Å; K452-F500 HydrophobicContact CD-CE2 4.09Å; V459-F500 HydrophobicContact CB-CZ 4.37Å; V459-F500 HydrophobicContact CG2-CE1 4.42Å; V459-F500 HydrophobicContact CG2-CZ 3.77Å; V462-F500 HydrophobicContact CB-CE1 4.11Å; V462-F500 HydrophobicContact CB-CZ 4.01Å; V462-F500 HydrophobicContact CG1-CD1 4.27Å; V462-F500 HydrophobicContact CG1-CE1 3.83Å; V462-F500 HydrophobicContact CG1-CZ 4.16Å; V462-F500 HydrophobicContact CG2-CE2 4.35Å; V462-F500 HydrophobicContact CG2-CZ 4Å; K496-F500 WeakPolarHBondContact O-CB 3.37Å; K496-F500 PolarHBondContact O-N 3.3Å; L497-F500 WeakPolarHBondContact O-CB 3.29Å; L497-F500 PolarHBondContact O-N 3.43Å; W498-F500 PolarHBondContact O-N 3.06Å; F500-C502 VanDerWaalsContact C-N 3.29Å; F500-C502 PolarHBondContact O-N 3.31Å; F500-E503 PolarHBondContact O-N 2.92Å; F500-E503 VanDerWaalsContact O-N 3.16Å; F500-L504 HydrophobicContact CE1-CD1 4.5Å; F500-L504 HydrophobicContact CE1-CD2 4.08Å; F500-L504 HydrophobicContact CZ-CD2 4.44Å; F500-L504 WeakPolarHBondContact O-CG 3.42Å; F500-M530 HydrophobicContact CD1-SD 3.97Å; F500-M530 HydrophobicContact CE1-SD 4.03Å
501I89.6Confident82.3Confident0 Ų036.2 Ų36.20%020%0.198CC..Hα-helixtrans-57.3-40.7175-73.1167.8000111.3L497 W498 E503 L504 F513 M530 F534L497-I501 HydrophobicContact CG-CD1 4.47Å; L497-I501 VanDerWaalsContact O-CG1 3.3Å; L497-I501 WeakPolarHBondContact O-CG1 3.37Å; L497-I501 PolarHBondContact O-N 3.28Å; W498-I501 HydrophobicContact CE3-CB 4.33Å; W498-I501 HydrophobicContact CE3-CD1 4.32Å; W498-I501 HydrophobicContact CE3-CG2 4.14Å; W498-I501 HydrophobicContact CZ3-CG2 3.98Å; W498-I501 WeakPolarHBondContact O-CB 3.35Å; W498-I501 PolarHBondContact O-N 2.86Å; W498-I501 VanDerWaalsContact O-N 3.1Å; I501-E503 VanDerWaalsContact C-N 3.33Å; I501-E503 PolarHBondContact O-N 3.49Å; I501-L504 PolarHBondContact O-N 3.45Å; I501-F513 HydrophobicContact CG2-CE2 3.61Å; I501-F513 HydrophobicContact CG2-CZ 4.03Å; I501-M530 HydrophobicContact CD1-CG 4.48Å; I501-M530 HydrophobicContact CG1-CE 3.69Å; I501-M530 HydrophobicContact CG1-CG 4.41Å; I501-M530 HydrophobicContact CG1-SD 4.2Å; I501-F534 HydrophobicContact CD1-CB 3.82Å; I501-F534 HydrophobicContact CD1-CD1 4.21Å; I501-F534 HydrophobicContact CD1-CD2 4.42Å; I501-F534 HydrophobicContact CD1-CG 3.88Å
502C85.9Confident83Confident31 Ų3132.7 Ų32.721%0.20918%0.179CC..Hα-helixtrans-70.3-25.3179-66.10000114.1W498 A499 F500W498-C502 VanDerWaalsContact CE2-SG 3.6Å; W498-C502 PolarHBondContact O-N 3.13Å; W498-C502 PolarHBondContact O-SG 2.68Å; W498-C502 VanDerWaalsContact O-SG 3.42Å; A499-C502 PolarHBondContact O-N 3.25Å; F500-C502 VanDerWaalsContact C-N 3.29Å; F500-C502 PolarHBondContact O-N 3.31Å
503E84.5Confident83.3Confident40 Ų4030.3 Ų30.319%0.18717%0.166CC..Hα-helixtrans-81.1-13.2179.6-73174.8-172.700114K404 G450 G451 K452 A499 F500 I501K404-E503 IonicContact NZ-OE1 3.62Å; K404-E503 PolarHBondContact NZ-OE1 3.38Å; K404-E503 IonicContact NZ-OE2 3.9Å; K404-E503 PolarHBondContact NZ-OE2 3.5Å; G450-E503 CarbonylContact C-O 3.57Å; G451-E503 PolarHBondContact N-O 3.3Å; K452-E503 VanDerWaalsContact CE-OE2 3.31Å; K452-E503 WeakPolarHBondContact CE-OE2 3.32Å; K452-E503 HydrophobicContact CG-CB 4.35Å; K452-E503 PolarHBondContact N-O 3.4Å; K452-E503 VanDerWaalsContact N-O 3.11Å; A499-E503 WeakPolarHBondContact O-CG 3.42Å; A499-E503 PolarHBondContact O-N 2.85Å; A499-E503 VanDerWaalsContact O-N 3.15Å; F500-E503 PolarHBondContact O-N 2.92Å; F500-E503 VanDerWaalsContact O-N 3.16Å; I501-E503 VanDerWaalsContact C-N 3.33Å; I501-E503 PolarHBondContact O-N 3.49Å
504L85.2Confident83.3Confident0 Ų032 Ų320%018%0.175CC..BIsolated β-bridgetrans-72.3128.8-176.9-64.5179.7000112.4K452 V459 F500 I501 G508 G509 L512 F513 L527 M530K452-L504 HydrophobicContact CB-CD2 4.33Å; V459-L504 HydrophobicContact CB-CD2 4.48Å; V459-L504 HydrophobicContact CG1-CD2 3.91Å; V459-L504 HydrophobicContact CG2-CD2 3.64Å; F500-L504 HydrophobicContact CE1-CD1 4.5Å; F500-L504 HydrophobicContact CE1-CD2 4.08Å; F500-L504 HydrophobicContact CZ-CD2 4.44Å; F500-L504 WeakPolarHBondContact O-CG 3.42Å; I501-L504 PolarHBondContact O-N 3.45Å; L504-G508 CarbonylContact O-C 3.55Å; L504-G508 VanDerWaalsContact O-CA 3.32Å; L504-G508 WeakPolarHBondContact O-CA 3.44Å; L504-G509 PolarHBondContact O-N 3.16Å; L504-L512 HydrophobicContact CB-CD2 3.63Å; L504-F513 HydrophobicContact CD1-CZ 4.28Å; L504-L527 HydrophobicContact CD1-CD2 3.87Å; L504-M530 HydrophobicContact CD1-CE 3.38Å
505G77Confident83.2Confident7 Ų736.1 Ų36.17%0.07219%0.194CC..SBendtrans84175.8174.300000114.6G450 G451 K452G450-G505 CarbonylContact C-O 3.55Å; G450-G505 WeakPolarHBondContact CA-O 2.93Å; G451-G505 PolarHBondContact N-O 3.46Å; K452-G505 PolarHBondContact O-N 3.04Å
506P65.1Low83.2Confident127 Ų12735.6 Ų35.683%0.82519%0.19SC*.SBendtrans-78.9-23.4-172.328.9-34.3000114.5
507Q63.4Low83Confident127 Ų12735.4 Ų35.459%0.59319%0.191SC*.SBendtrans-119.15.5179-63.1-171-20.100112.7K511Q507-K511 VanDerWaalsContact OE1-CD 3.29Å
508G60.9Low82.6Confident6 Ų641 Ų416%0.06222%0.221CC..  trans71.4146.5179.400000116.7L504 L510L504-G508 CarbonylContact O-C 3.55Å; L504-G508 VanDerWaalsContact O-CA 3.32Å; L504-G508 WeakPolarHBondContact O-CA 3.44Å; G508-L510 PolarHBondContact O-N 3.04Å
509G72.4Confident82.3Confident5 Ų544.5 Ų44.55%0.05224%0.241CC..THydrogen-bonded Turntrans39.7-98.1163.400000116.7L504 K511 L512 F513L504-G509 PolarHBondContact O-N 3.16Å; G509-K511 PolarHBondContact O-N 2.95Å; G509-L512 WeakPolarHBondContact O-CB 3.28Å; G509-L512 PolarHBondContact O-N 3.31Å; G509-L512 VanDerWaalsContact O-N 3.16Å; G509-F513 WeakPolarHBondContact O-CD2 3.34Å; G509-F513 PolarHBondContact O-N 3.42Å
510L85.3Confident82Confident52 Ų5249.9 Ų49.927%0.27227%0.266SS..Hα-helixtrans-56.4-45.3-161.2-177.863.6000113.9G508 L512 F513 L514 F568 F572G508-L510 PolarHBondContact O-N 3.04Å; L510-L512 VanDerWaalsContact C-N 3.34Å; L510-L512 PolarHBondContact O-N 3.47Å; L510-F513 PolarHBondContact O-N 3.39Å; L510-L514 HydrophobicContact CD1-CD1 4.17Å; L510-L514 HydrophobicContact CD1-CG 4.23Å; L510-L514 HydrophobicContact CG-CD1 3.99Å; L510-L514 HydrophobicContact CG-CG 4.44Å; L510-L514 VanDerWaalsContact O-CG 3.29Å; L510-L514 WeakPolarHBondContact O-CG 3.39Å; L510-L514 PolarHBondContact O-N 3.14Å; L510-F568 HydrophobicContact CB-CD2 3.74Å; L510-F568 HydrophobicContact CB-CE2 3.82Å; L510-F568 HydrophobicContact CD1-CD2 3.87Å; L510-F568 HydrophobicContact CD1-CE2 3.92Å; L510-F568 HydrophobicContact CD1-CG 4.29Å; L510-F568 HydrophobicContact CD1-CZ 4.32Å; L510-F568 HydrophobicContact CG-CD2 4.37Å; L510-F572 HydrophobicContact CD1-CB 4Å; L510-F572 HydrophobicContact CD1-CD2 4.08Å
511K85.4Confident82Confident105 Ų10552.4 Ų52.446%0.45728%0.282SS..Hα-helixtrans-63.7-42.4-177.7-169.8-175.4-178.9-172.30111.4Q507 G509 L514 E515Q507-K511 VanDerWaalsContact OE1-CD 3.29Å; G509-K511 PolarHBondContact O-N 2.95Å; K511-L514 PolarHBondContact O-N 3.4Å; K511-E515 VanDerWaalsContact CE-OE1 3.29Å; K511-E515 WeakPolarHBondContact CE-OE1 3.27Å; K511-E515 WeakPolarHBondContact O-CG 3.32Å; K511-E515 PolarHBondContact O-N 2.94Å
512L88.9Confident81.9Confident26 Ų2657.4 Ų57.414%0.13631%0.306CS..Hα-helixtrans-60-50.5177.5175.868.1000111V454 L504 G509 L510 L514 E515 C516 L527V454-L512 HydrophobicContact CG2-CD1 4.08Å; V454-L512 HydrophobicContact CG2-CD2 3.89Å; L504-L512 HydrophobicContact CB-CD2 3.63Å; G509-L512 WeakPolarHBondContact O-CB 3.28Å; G509-L512 PolarHBondContact O-N 3.31Å; G509-L512 VanDerWaalsContact O-N 3.16Å; L510-L512 VanDerWaalsContact C-N 3.34Å; L510-L512 PolarHBondContact O-N 3.47Å; L512-L514 VanDerWaalsContact C-N 3.31Å; L512-L514 PolarHBondContact O-N 2.93Å; L512-E515 WeakPolarHBondContact O-CB 3.27Å; L512-E515 PolarHBondContact O-N 2.91Å; L512-E515 VanDerWaalsContact O-N 3.14Å; L512-C516 PolarHBondContact O-N 3.49Å; L512-C516 PolarHBondContact O-SG 3.18Å; L512-L527 HydrophobicContact CD2-CD1 4.47Å
513F90.7Very high81.9Confident0 Ų060.5 Ų60.50%032%0.317CS..Hα-helixtrans-66.4-32.3-179.2-71.2-78.1000112.7I501 L504 G509 L510 C516 L517 L527 L528 M530 L531 F568 F572I501-F513 HydrophobicContact CG2-CE2 3.61Å; I501-F513 HydrophobicContact CG2-CZ 4.03Å; L504-F513 HydrophobicContact CD1-CZ 4.28Å; G509-F513 WeakPolarHBondContact O-CD2 3.34Å; G509-F513 PolarHBondContact O-N 3.42Å; L510-F513 PolarHBondContact O-N 3.39Å; F513-C516 WeakPolarHBondContact O-CB 3.45Å; F513-C516 PolarHBondContact O-N 3.34Å; F513-L517 PolarHBondContact O-N 3.11Å; F513-L527 HydrophobicContact CE1-CB 4.01Å; F513-L527 WeakPolarHBondContact CE1-O 3.45Å; F513-L528 HydrophobicContact CD1-CD2 4.21Å; F513-M530 HydrophobicContact CE1-CE 4.49Å; F513-M530 HydrophobicContact CZ-CE 3.9Å; F513-L531 HydrophobicContact CB-CD2 4.46Å; F513-L531 HydrophobicContact CD1-CB 4.2Å; F513-L531 HydrophobicContact CD1-CD2 4.01Å; F513-L531 HydrophobicContact CE1-CB 3.93Å; F513-L531 HydrophobicContact CG-CD2 4.19Å; F513-F568 HydrophobicContact CB-CZ 4.41Å; F513-F568 HydrophobicContact CD2-CE2 4.2Å; F513-F568 AromaticContact CD2-CZ 3.94Å; F513-F568 HydrophobicContact CD2-CZ 3.94Å; F513-F568 HydrophobicContact CG-CZ 4.35Å; F513-F572 HydrophobicContact CB-CD2 4.29Å; F513-F572 HydrophobicContact CB-CE2 3.62Å; F513-F572 HydrophobicContact CB-CZ 4.39Å
514L88.9Confident82.2Confident40 Ų4059 Ų5921%0.20931%0.311CS..Hα-helixtrans-68.3-35.4172.5-70.6175.3000112.4L510 K511 L512 L517 N518 F572 K575L510-L514 HydrophobicContact CD1-CD1 4.17Å; L510-L514 HydrophobicContact CD1-CG 4.23Å; L510-L514 HydrophobicContact CG-CD1 3.99Å; L510-L514 HydrophobicContact CG-CG 4.44Å; L510-L514 VanDerWaalsContact O-CG 3.29Å; L510-L514 WeakPolarHBondContact O-CG 3.39Å; L510-L514 PolarHBondContact O-N 3.14Å; K511-L514 PolarHBondContact O-N 3.4Å; L512-L514 VanDerWaalsContact C-N 3.31Å; L512-L514 PolarHBondContact O-N 2.93Å; L514-L517 HydrophobicContact CD2-CD1 4.05Å; L514-L517 PolarHBondContact O-N 3.47Å; L514-N518 PolarHBondContact O-ND2 3.17Å; L514-F572 HydrophobicContact CD2-CD2 3.68Å; L514-F572 HydrophobicContact CD2-CE2 4.02Å; L514-F572 HydrophobicContact CD2-CG 4.46Å; L514-F572 HydrophobicContact CG-CD2 4.15Å; L514-F572 HydrophobicContact CG-CE2 4.46Å; L514-K575 HydrophobicContact CD1-CG 4.3Å; L514-K575 HydrophobicContact CD2-CB 3.68Å; L514-K575 HydrophobicContact CD2-CG 4.14Å
515E88.1Confident82.4Confident90 Ų9061.8 Ų61.842%0.42132%0.323SS..Hα-helixtrans-66.5-40.7171.9-72.6169.4-169.500110.9K511 L512 L517 N518 N519K511-E515 VanDerWaalsContact CE-OE1 3.29Å; K511-E515 WeakPolarHBondContact CE-OE1 3.27Å; K511-E515 WeakPolarHBondContact O-CG 3.32Å; K511-E515 PolarHBondContact O-N 2.94Å; L512-E515 WeakPolarHBondContact O-CB 3.27Å; L512-E515 PolarHBondContact O-N 2.91Å; L512-E515 VanDerWaalsContact O-N 3.14Å; E515-L517 PolarHBondContact O-N 3.29Å; E515-N518 PolarHBondContact O-N 3.03Å; E515-N518 VanDerWaalsContact O-N 3.08Å; E515-N519 PolarHBondContact O-N 3.42Å; E515-N519 PolarHBondContact O-ND2 3.49Å
516C88.9Confident83.1Confident8 Ų865.8 Ų65.85%0.05434%0.336CS..Hα-helixtrans-60.5-30.1174.8-68.30000113.5L512 F513 N518 N519 L528L512-C516 PolarHBondContact O-N 3.49Å; L512-C516 PolarHBondContact O-SG 3.18Å; F513-C516 WeakPolarHBondContact O-CB 3.45Å; F513-C516 PolarHBondContact O-N 3.34Å; C516-N518 PolarHBondContact O-N 3.29Å; C516-N519 PolarHBondContact O-N 3.09Å; C516-N519 VanDerWaalsContact O-O 3.06Å; C516-L528 HydrophobicContact CB-CD1 4.41Å; C516-L528 HydrophobicContact CB-CD2 4.17Å; C516-L528 HydrophobicContact CB-CG 4.17Å
517L85.6Confident84.3Confident30 Ų3059.9 Ų59.916%0.15730%0.298CS..Hα-helixtrans-65.1-28.9175.5-74.5175.9000113.1F513 L514 E515 L528 F572 M576 I581 L592F513-L517 PolarHBondContact O-N 3.11Å; L514-L517 HydrophobicContact CD2-CD1 4.05Å; L514-L517 PolarHBondContact O-N 3.47Å; E515-L517 PolarHBondContact O-N 3.29Å; L517-L528 HydrophobicContact CD2-CD1 4.48Å; L517-L528 HydrophobicContact CD2-CD2 4.29Å; L517-F572 HydrophobicContact CD1-CE1 4.16Å; L517-F572 HydrophobicContact CD1-CE2 3.74Å; L517-F572 HydrophobicContact CD1-CZ 3.56Å; L517-F572 HydrophobicContact CD2-CE1 4.46Å; L517-F572 HydrophobicContact CD2-CZ 3.91Å; L517-F572 HydrophobicContact CG-CE2 4.12Å; L517-F572 HydrophobicContact CG-CZ 3.76Å; L517-M576 HydrophobicContact CD1-CG 3.6Å; L517-M576 HydrophobicContact CD1-SD 4.46Å; L517-M576 HydrophobicContact CD2-CE 4.2Å; L517-M576 HydrophobicContact CD2-CG 4.48Å; L517-I581 HydrophobicContact CB-CD1 4.04Å; L517-I581 HydrophobicContact CD1-CD1 4.07Å; L517-L592 HydrophobicContact CD2-CD2 3.58Å
518N82.7Confident85.8Confident121 Ų12155 Ų5565%0.64728%0.275SS*.Hα-helixtrans-92.5-11.8-178.4-65.7-56000112.8L514 E515 C516L514-N518 PolarHBondContact O-ND2 3.17Å; E515-N518 PolarHBondContact O-N 3.03Å; E515-N518 VanDerWaalsContact O-N 3.08Å; C516-N518 PolarHBondContact O-N 3.29Å
519N84.3Confident87.3Confident88 Ų8855.4 Ų55.447%0.47128%0.278SS..  trans-113.6114-175.3-67.4-21.6000110.7E515 C516 T521 S524E515-N519 PolarHBondContact O-N 3.42Å; E515-N519 PolarHBondContact O-ND2 3.49Å; C516-N519 PolarHBondContact O-N 3.09Å; C516-N519 VanDerWaalsContact O-O 3.06Å; N519-T521 PolarHBondContact O-N 3.37Å; N519-S524 WeakPolarHBondContact O-CB 3.39Å; N519-S524 PolarHBondContact O-OG 3.42Å
520D80.7Confident88.4Confident137 Ų13755.1 Ų55.173%0.73328%0.275SS*.  trans-85.851.4178.6-168.327.7000112.4K525D520-K525 WeakPolarHBondContact OD1-CE 3.49Å; D520-K525 IonicContact OD1-NZ 3.19Å; D520-K525 PolarHBondContact OD1-NZ 2.97Å
521T89Confident88.9Confident60 Ų6052.7 Ų52.737%0.36826%0.263SS..  trans-95.7153.217577.70000111.4N519 E523 S524 K525N519-T521 PolarHBondContact O-N 3.37Å; T521-E523 VanDerWaalsContact CB-OE2 3.26Å; T521-E523 WeakPolarHBondContact CB-OE2 3.4Å; T521-E523 PolarHBondContact O-N 2.89Å; T521-E523 PolarHBondContact OG1-OE2 3.06Å; T521-E523 VanDerWaalsContact OG1-OE2 3.06Å; T521-S524 WeakPolarHBondContact O-CB 3.35Å; T521-S524 PolarHBondContact O-N 2.71Å; T521-S524 PolarHBondContact OG1-N 3.42Å; T521-S524 PolarHBondContact OG1-OG 3.13Å; T521-K525 PolarHBondContact O-N 2.88Å
522E85.9Confident89.3Confident106 Ų10648.3 Ų48.350%0.49524%0.244SC..Hα-helixtrans-61.8-32.8177.7-70.7-61.2124.100112.2S524 K525 R526E522-S524 VanDerWaalsContact C-N 3.35Å; E522-K525 PolarHBondContact O-N 3.24Å; E522-K525 IonicContact OE1-NZ 3.99Å; E522-K525 PolarHBondContact OE1-NZ 3.45Å; E522-R526 VanDerWaalsContact O-CG 3.25Å; E522-R526 WeakPolarHBondContact O-CG 3.3Å; E522-R526 PolarHBondContact O-N 3.43Å; E522-R526 VanDerWaalsContact O-N 3.09Å
523E87.3Confident89.6Confident95 Ų9547.2 Ų47.244%0.44424%0.238SC..Hα-helixtrans-64.4-40.7172.8-5779.3-169.600111.6T521 R526 L527T521-E523 VanDerWaalsContact CB-OE2 3.26Å; T521-E523 WeakPolarHBondContact CB-OE2 3.4Å; T521-E523 PolarHBondContact O-N 2.89Å; T521-E523 PolarHBondContact OG1-OE2 3.06Å; T521-E523 VanDerWaalsContact OG1-OE2 3.06Å; E523-R526 PolarHBondContact O-N 3.25Å; E523-L527 WeakPolarHBondContact O-CG 3.4Å; E523-L527 PolarHBondContact O-N 3.36Å; E523-L527 VanDerWaalsContact O-N 3.08Å
524S89.4Confident89.9Confident9 Ų947.2 Ų47.26%0.06324%0.238CC..Hα-helixtrans-64.9-43.3178.5-600000110.9N519 T521 E522 R526 L527 L528N519-S524 WeakPolarHBondContact O-CB 3.39Å; N519-S524 PolarHBondContact O-OG 3.42Å; T521-S524 WeakPolarHBondContact O-CB 3.35Å; T521-S524 PolarHBondContact O-N 2.71Å; T521-S524 PolarHBondContact OG1-N 3.42Å; T521-S524 PolarHBondContact OG1-OG 3.13Å; E522-S524 VanDerWaalsContact C-N 3.35Å; S524-R526 PolarHBondContact O-N 3.03Å; S524-L527 PolarHBondContact O-N 2.96Å; S524-L528 VanDerWaalsContact O-CG 3.27Å; S524-L528 WeakPolarHBondContact O-CG 3.34Å; S524-L528 PolarHBondContact O-N 2.97Å
525K90Very high90.2Very high59 Ų5945.3 Ų45.326%0.25723%0.228SC..Hα-helixtrans-60.3-43.2175.1-66.6177.8-168.91640112.6D520 T521 E522 L527 L528 A529D520-K525 WeakPolarHBondContact OD1-CE 3.49Å; D520-K525 IonicContact OD1-NZ 3.19Å; D520-K525 PolarHBondContact OD1-NZ 2.97Å; T521-K525 PolarHBondContact O-N 2.88Å; E522-K525 PolarHBondContact O-N 3.24Å; E522-K525 IonicContact OE1-NZ 3.99Å; E522-K525 PolarHBondContact OE1-NZ 3.45Å; K525-L527 PolarHBondContact O-N 3.19Å; K525-L528 PolarHBondContact O-N 3.23Å; K525-A529 WeakPolarHBondContact O-CB 3.4Å; K525-A529 PolarHBondContact O-N 3.03Å
526R91.5Very high90.4Very high90 Ų9041.3 Ų41.334%0.3421%0.21SC..Hα-helixtrans-62-41.7177.5-73.1173.8-173.5177.65112.5C463 V467 E522 E523 S524 A529 M530C463-R526 HydrophobicContact CB-CB 4.04Å; V467-R526 HydrophobicContact CG2-CB 4.36Å; V467-R526 HydrophobicContact CG2-CG 4.09Å; E522-R526 VanDerWaalsContact O-CG 3.25Å; E522-R526 WeakPolarHBondContact O-CG 3.3Å; E522-R526 PolarHBondContact O-N 3.43Å; E522-R526 VanDerWaalsContact O-N 3.09Å; E523-R526 PolarHBondContact O-N 3.25Å; S524-R526 PolarHBondContact O-N 3.03Å; R526-A529 PolarHBondContact O-N 2.85Å; R526-M530 PolarHBondContact O-N 3.38Å
527L91.8Very high90.6Very high4 Ų441.1 Ų41.12%0.02121%0.209CC..Hα-helixtrans-63.9-47.6174.8-72.2168.8000111.1V454 L504 L512 F513 E523 S524 K525 A529 M530 L531V454-L527 HydrophobicContact CG1-CD1 3.77Å; V454-L527 HydrophobicContact CG1-CD2 4.43Å; V454-L527 HydrophobicContact CG1-CG 4.49Å; L504-L527 HydrophobicContact CD1-CD2 3.87Å; L512-L527 HydrophobicContact CD2-CD1 4.47Å; F513-L527 HydrophobicContact CE1-CB 4.01Å; F513-L527 WeakPolarHBondContact CE1-O 3.45Å; E523-L527 WeakPolarHBondContact O-CG 3.4Å; E523-L527 PolarHBondContact O-N 3.36Å; E523-L527 VanDerWaalsContact O-N 3.08Å; S524-L527 PolarHBondContact O-N 2.96Å; K525-L527 PolarHBondContact O-N 3.19Å; L527-A529 VanDerWaalsContact C-N 3.28Å; L527-A529 PolarHBondContact O-N 2.99Å; L527-M530 HydrophobicContact CD2-CE 4.31Å; L527-M530 WeakPolarHBondContact O-CB 3.31Å; L527-M530 PolarHBondContact O-N 2.97Å; L527-M530 VanDerWaalsContact O-N 3.08Å; L527-L531 PolarHBondContact O-N 3.31Å; L527-L531 VanDerWaalsContact O-N 3.12Å
528L93.6Very high91Very high24 Ų2439.7 Ų39.713%0.12620%0.201CC..Hα-helixtrans-60.8-38178.3-66.2172.2000111.8F513 C516 L517 S524 K525 M530 L531 M532 F572 L592F513-L528 HydrophobicContact CD1-CD2 4.21Å; C516-L528 HydrophobicContact CB-CD1 4.41Å; C516-L528 HydrophobicContact CB-CD2 4.17Å; C516-L528 HydrophobicContact CB-CG 4.17Å; L517-L528 HydrophobicContact CD2-CD1 4.48Å; L517-L528 HydrophobicContact CD2-CD2 4.29Å; S524-L528 VanDerWaalsContact O-CG 3.27Å; S524-L528 WeakPolarHBondContact O-CG 3.34Å; S524-L528 PolarHBondContact O-N 2.97Å; K525-L528 PolarHBondContact O-N 3.23Å; L528-M530 VanDerWaalsContact C-N 3.33Å; L528-M530 PolarHBondContact O-N 3.38Å; L528-L531 PolarHBondContact O-N 2.83Å; L528-M532 VanDerWaalsContact O-CG 3.29Å; L528-M532 WeakPolarHBondContact O-CG 3.43Å; L528-M532 PolarHBondContact O-N 3.47Å; L528-F572 HydrophobicContact CD2-CZ 4.31Å; L528-L592 HydrophobicContact CB-CD2 4.4Å; L528-L592 HydrophobicContact CD1-CD2 4.21Å; L528-L592 HydrophobicContact CD2-CD1 4.49Å; L528-L592 HydrophobicContact CD2-CD2 3.82Å; L528-L592 HydrophobicContact CG-CD2 4.36Å
529A93.3Very high91.3Very high14 Ų1436 Ų3612%0.11618%0.178CC..Hα-helixtrans-62.2-36.117400000113.1V467 Q470 K525 R526 L527 M532 L533V467-A529 HydrophobicContact CG2-CB 3.76Å; Q470-A529 HydrophobicContact CG-CB 4.38Å; Q470-A529 WeakPolarHBondContact CG-O 3.33Å; K525-A529 WeakPolarHBondContact O-CB 3.4Å; K525-A529 PolarHBondContact O-N 3.03Å; R526-A529 PolarHBondContact O-N 2.85Å; L527-A529 VanDerWaalsContact C-N 3.28Å; L527-A529 PolarHBondContact O-N 2.99Å; A529-M532 PolarHBondContact O-N 3.46Å; A529-L533 PolarHBondContact O-N 3Å
530M94.8Very high91.5Very high0 Ų033 Ų330%016%0.161CC..Hα-helixtrans-64.2-44.6172.2177.4-178.667.400111.7V462 C466 L497 F500 I501 L504 F513 R526 L527 L528 M532 L533 F534V462-M530 HydrophobicContact CG1-SD 4.26Å; C466-M530 HydrophobicContact CB-CB 3.88Å; C466-M530 HydrophobicContact CB-CG 4.28Å; L497-M530 HydrophobicContact CD1-CG 4.25Å; L497-M530 HydrophobicContact CD1-SD 4.25Å; F500-M530 HydrophobicContact CD1-SD 3.97Å; F500-M530 HydrophobicContact CE1-SD 4.03Å; I501-M530 HydrophobicContact CD1-CG 4.48Å; I501-M530 HydrophobicContact CG1-CE 3.69Å; I501-M530 HydrophobicContact CG1-CG 4.41Å; I501-M530 HydrophobicContact CG1-SD 4.2Å; L504-M530 HydrophobicContact CD1-CE 3.38Å; F513-M530 HydrophobicContact CE1-CE 4.49Å; F513-M530 HydrophobicContact CZ-CE 3.9Å; R526-M530 PolarHBondContact O-N 3.38Å; L527-M530 HydrophobicContact CD2-CE 4.31Å; L527-M530 WeakPolarHBondContact O-CB 3.31Å; L527-M530 PolarHBondContact O-N 2.97Å; L527-M530 VanDerWaalsContact O-N 3.08Å; L528-M530 VanDerWaalsContact C-N 3.33Å; L528-M530 PolarHBondContact O-N 3.38Å; M530-M532 VanDerWaalsContact C-N 3.33Å; M530-M532 PolarHBondContact O-N 2.87Å; M530-L533 PolarHBondContact O-N 3.25Å; M530-F534 PolarHBondContact O-N 3.44Å
531L95.1Very high91.8Very high0 Ų026.8 Ų26.80%013%0.128CC..Hα-helixtrans-62.3-41.5175.4179.761.5000111.4F513 L527 L528 F534 C535 F568 F572 V596F513-L531 HydrophobicContact CB-CD2 4.46Å; F513-L531 HydrophobicContact CD1-CB 4.2Å; F513-L531 HydrophobicContact CD1-CD2 4.01Å; F513-L531 HydrophobicContact CE1-CB 3.93Å; F513-L531 HydrophobicContact CG-CD2 4.19Å; L527-L531 PolarHBondContact O-N 3.31Å; L527-L531 VanDerWaalsContact O-N 3.12Å; L528-L531 PolarHBondContact O-N 2.83Å; L531-F534 PolarHBondContact O-N 2.95Å; L531-C535 PolarHBondContact O-N 3.31Å; L531-C535 PolarHBondContact O-SG 2.64Å; L531-F568 HydrophobicContact CD1-CE1 3.8Å; L531-F568 HydrophobicContact CD1-CZ 4.15Å; L531-F568 HydrophobicContact CD2-CE1 4.06Å; L531-F568 HydrophobicContact CD2-CZ 4.15Å; L531-F572 HydrophobicContact CD2-CE1 4.23Å; L531-F572 HydrophobicContact CD2-CE2 4.4Å; L531-F572 HydrophobicContact CD2-CZ 4.06Å; L531-V596 HydrophobicContact CD2-CG2 4.31Å; L531-V596 HydrophobicContact CG-CG2 4.38Å
532M95.1Very high91.7Very high13 Ų1324 Ų246%0.06411%0.111CC..Hα-helixtrans-58.8-47.9174.8-72.1173.162.500111.7L528 A529 M530 F534 C535 D536 E591 L592L528-M532 VanDerWaalsContact O-CG 3.29Å; L528-M532 WeakPolarHBondContact O-CG 3.43Å; L528-M532 PolarHBondContact O-N 3.47Å; A529-M532 PolarHBondContact O-N 3.46Å; M530-M532 VanDerWaalsContact C-N 3.33Å; M530-M532 PolarHBondContact O-N 2.87Å; M532-F534 VanDerWaalsContact C-N 3.35Å; M532-F534 PolarHBondContact O-N 3.42Å; M532-C535 PolarHBondContact O-N 2.89Å; M532-D536 WeakPolarHBondContact O-CB 3.48Å; M532-D536 PolarHBondContact O-N 3.49Å; M532-E591 HydrophobicContact CE-CB 3.67Å; M532-L592 HydrophobicContact CG-CB 4.03Å; M532-L592 HydrophobicContact CG-CD1 3.4Å; M532-L592 HydrophobicContact CG-CG 4.32Å; M532-L592 HydrophobicContact SD-CB 3.77Å; M532-L592 HydrophobicContact SD-CD1 4.11Å
533L95.6Very high91.4Very high4 Ų420.8 Ų20.82%0.02110%0.098CC..Hα-helixtrans-62.7-44.4-178.9-173.466.5000111.5C466 Y469 Q470 L473 L487 A529 M530 C535 D536 C537C466-L533 HydrophobicContact CB-CD2 3.93Å; Y469-L533 HydrophobicContact CD2-CD2 4.4Å; Y469-L533 HydrophobicContact CG-CD2 4.47Å; Q470-L533 HydrophobicContact CG-CB 4.05Å; Q470-L533 HydrophobicContact CG-CD1 4.41Å; L473-L533 HydrophobicContact CD1-CD1 3.71Å; L487-L533 HydrophobicContact CD1-CD1 4.1Å; A529-L533 PolarHBondContact O-N 3Å; M530-L533 PolarHBondContact O-N 3.25Å; L533-C535 VanDerWaalsContact C-N 3.34Å; L533-C535 PolarHBondContact O-N 3.38Å; L533-D536 PolarHBondContact O-N 3.24Å; L533-C537 WeakPolarHBondContact O-CB 3.16Å; L533-C537 PolarHBondContact O-N 3.27Å; L533-C537 PolarHBondContact O-SG 2.69Å
534F95.5Very high91Very high0 Ų019.9 Ų19.90%010%0.096CC..Hα-helixtrans-57.5-47.8175171.5-102.2000111.5L494 L497 W498 I501 M530 L531 M532 S538 F557 I565L494-F534 HydrophobicContact CB-CE2 4.45Å; L497-F534 HydrophobicContact CD2-CB 4.14Å; L497-F534 HydrophobicContact CD2-CD2 4.37Å; W498-F534 HydrophobicContact CB-CD2 4.48Å; W498-F534 HydrophobicContact CB-CE2 3.66Å; W498-F534 HydrophobicContact CB-CZ 3.8Å; W498-F534 HydrophobicContact CD2-CE1 4.17Å; W498-F534 AromaticContact CD2-CZ 3.91Å; W498-F534 HydrophobicContact CD2-CZ 3.91Å; W498-F534 AromaticContact CE3-CD1 3.99Å; W498-F534 HydrophobicContact CE3-CD1 3.99Å; W498-F534 AromaticContact CE3-CE1 3.37Å; W498-F534 HydrophobicContact CE3-CE1 3.37Å; W498-F534 HydrophobicContact CE3-CE2 4.28Å; W498-F534 AromaticContact CE3-CZ 3.55Å; W498-F534 HydrophobicContact CE3-CZ 3.55Å; W498-F534 HydrophobicContact CG-CE2 4.38Å; W498-F534 HydrophobicContact CG-CZ 4.03Å; W498-F534 HydrophobicContact CZ3-CD1 4.35Å; W498-F534 AromaticContact CZ3-CE1 3.82Å; W498-F534 HydrophobicContact CZ3-CE1 3.82Å; W498-F534 HydrophobicContact CZ3-CZ 4.4Å; I501-F534 HydrophobicContact CD1-CB 3.82Å; I501-F534 HydrophobicContact CD1-CD1 4.21Å; I501-F534 HydrophobicContact CD1-CD2 4.42Å; I501-F534 HydrophobicContact CD1-CG 3.88Å; M530-F534 PolarHBondContact O-N 3.44Å; L531-F534 PolarHBondContact O-N 2.95Å; M532-F534 VanDerWaalsContact C-N 3.35Å; M532-F534 PolarHBondContact O-N 3.42Å; F534-S538 VanDerWaalsContact CE2-OG 3.31Å; F534-S538 WeakPolarHBondContact CE2-OG 3.37Å; F534-S538 WeakPolarHBondContact O-CB 3.5Å; F534-S538 PolarHBondContact O-N 2.89Å; F534-S538 PolarHBondContact O-OG 3.47Å; F534-F557 HydrophobicContact CE2-CE1 4.22Å; F534-F557 AromaticContact CE2-CZ 3.86Å; F534-F557 HydrophobicContact CE2-CZ 3.86Å; F534-F557 HydrophobicContact CZ-CE1 4.3Å; F534-F557 HydrophobicContact CZ-CZ 4.09Å; F534-I565 HydrophobicContact CE1-CG2 4.39Å; F534-I565 HydrophobicContact CZ-CD1 4.05Å; F534-I565 HydrophobicContact CZ-CG1 4.42Å
535C95.6Very high90.5Very high0 Ų020 Ų200%010%0.096CC..Hα-helixtrans-64.9-44.8-179.9-65.70000112L531 M532 L533 R539 S595 W599L531-C535 PolarHBondContact O-N 3.31Å; L531-C535 PolarHBondContact O-SG 2.64Å; M532-C535 PolarHBondContact O-N 2.89Å; L533-C535 VanDerWaalsContact C-N 3.34Å; L533-C535 PolarHBondContact O-N 3.38Å; C535-R539 WeakPolarHBondContact O-CB 3.32Å; C535-R539 PolarHBondContact O-N 3.38Å; C535-S595 WeakPolarHBondContact CB-O 3.49Å; C535-W599 HydrophobicContact CB-CB 3.96Å; C535-W599 HydrophobicContact CB-CG 4.39Å
536D93.3Very high90Very high6 Ų617.5 Ų17.53%0.0329%0.085CC..Hα-helixtrans-64-43.5179.4-95.7-27000112.7R480 L484 M532 L533 R539 H540R480-D536 IonicContact CZ-OD2 2.59Å; R480-D536 IonicContact NH2-OD1 3.64Å; R480-D536 PolarHBondContact NH2-OD1 3.5Å; R480-D536 IonicContact NH2-OD2 3.96Å; R480-D536 PolarHBondContact NH2-OD2 3.37Å; L484-D536 HydrophobicContact CD2-CB 4.2Å; M532-D536 WeakPolarHBondContact O-CB 3.48Å; M532-D536 PolarHBondContact O-N 3.49Å; L533-D536 PolarHBondContact O-N 3.24Å; D536-R539 IonicContact OD1-CZ 3.88Å; D536-R539 IonicContact OD1-NE 3Å; D536-R539 IonicContact OD1-NH2 3.16Å; D536-R539 PolarHBondContact OD1-NH2 3.47Å; D536-H540 WeakPolarHBondContact O-CB 3.45Å; D536-H540 PolarHBondContact O-N 3.2Å
537C92.8Very high89.4Confident4 Ų414.3 Ų14.33%0.0278%0.075CC..Hα-helixtrans-70.1-43.8178.1-62.10000111.7T488 L494 L533 R539 H540 L541T488-C537 HydrophobicContact CG2-CB 4.1Å; T488-C537 VanDerWaalsContact CG2-O 3.28Å; T488-C537 WeakPolarHBondContact CG2-O 3.42Å; L494-C537 HydrophobicContact CD1-CB 4.12Å; L494-C537 HydrophobicContact CD2-CB 3.58Å; L494-C537 HydrophobicContact CG-CB 4.49Å; L533-C537 WeakPolarHBondContact O-CB 3.16Å; L533-C537 PolarHBondContact O-N 3.27Å; L533-C537 PolarHBondContact O-SG 2.69Å; C537-R539 PolarHBondContact O-N 2.61Å; C537-H540 PolarHBondContact O-N 2.79Å; C537-L541 WeakPolarHBondContact O-CB 3.43Å; C537-L541 PolarHBondContact O-N 2.79Å
538S92.8Very high88.9Confident0 Ų016.3 Ų16.30%09%0.085CC..Hα-helixtrans-64.9-41179.4-55.90000111.5F534 L541 I542F534-S538 VanDerWaalsContact CE2-OG 3.31Å; F534-S538 WeakPolarHBondContact CE2-OG 3.37Å; F534-S538 WeakPolarHBondContact O-CB 3.5Å; F534-S538 PolarHBondContact O-N 2.89Å; F534-S538 PolarHBondContact O-OG 3.47Å; S538-L541 PolarHBondContact O-N 3.39Å; S538-I542 WeakPolarHBondContact O-CB 3.24Å; S538-I542 WeakPolarHBondContact O-CG1 3.49Å; S538-I542 PolarHBondContact O-N 3.01Å
539R90.3Very high88.5Confident43 Ų4316.6 Ų16.616%0.1629%0.086CC..Hα-helixtrans-60.1-46.8173.3-178.2178.861.787.9-1.1111.8C535 D536 C537 T543 W599 V602C535-R539 WeakPolarHBondContact O-CB 3.32Å; C535-R539 PolarHBondContact O-N 3.38Å; D536-R539 IonicContact OD1-CZ 3.88Å; D536-R539 IonicContact OD1-NE 3Å; D536-R539 IonicContact OD1-NH2 3.16Å; D536-R539 PolarHBondContact OD1-NH2 3.47Å; C537-R539 PolarHBondContact O-N 2.61Å; R539-T543 WeakPolarHBondContact O-CB 3.29Å; R539-T543 PolarHBondContact O-N 2.89Å; R539-T543 VanDerWaalsContact O-N 3.13Å; R539-T543 PolarHBondContact O-OG1 3.19Å; R539-W599 VanDerWaalsContact CA-CE3 3.4Å; R539-W599 HydrophobicContact CB-CB 4.3Å; R539-W599 HydrophobicContact CB-CD2 4.32Å; R539-W599 HydrophobicContact CB-CE3 3.81Å; R539-W599 HydrophobicContact CG-CE3 4.38Å; R539-V602 HydrophobicContact CG-CG2 3.95Å
540H87.6Confident88.1Confident25 Ų2516.1 Ų16.112%0.1168%0.081CC..Hα-helixtrans-60.8-51177.2-176.773.1000111.6L484 T485 D536 C537 I542 T543 I544L484-H540 HydrophobicContact CB-CB 4.06Å; L484-H540 HydrophobicContact CD1-CB 4.21Å; T485-H540 PolarHBondContact OG1-NE2 3.37Å; D536-H540 WeakPolarHBondContact O-CB 3.45Å; D536-H540 PolarHBondContact O-N 3.2Å; C537-H540 PolarHBondContact O-N 2.79Å; H540-I542 PolarHBondContact O-N 3.41Å; H540-T543 PolarHBondContact O-N 3.06Å; H540-I544 PolarHBondContact O-N 3.27Å
541L87.3Confident87.7Confident7 Ų716.7 Ų16.74%0.0378%0.084CC..Hα-helixtrans-55.4-51.9178.4175.961.2000111.4T488 L494 C537 S538 T543 I544 L545 F557T488-L541 HydrophobicContact CG2-CB 3.77Å; L494-L541 HydrophobicContact CD1-CB 4.32Å; L494-L541 HydrophobicContact CD1-CD2 3.81Å; C537-L541 WeakPolarHBondContact O-CB 3.43Å; C537-L541 PolarHBondContact O-N 2.79Å; S538-L541 PolarHBondContact O-N 3.39Å; L541-T543 PolarHBondContact O-N 3.06Å; L541-I544 HydrophobicContact CD1-CD1 4.36Å; L541-I544 HydrophobicContact CD1-CG1 4.46Å; L541-I544 WeakPolarHBondContact O-CG1 3.31Å; L541-I544 PolarHBondContact O-N 3.1Å; L541-I544 VanDerWaalsContact O-N 3.09Å; L541-L545 HydrophobicContact CD1-CD1 3.9Å; L541-L545 HydrophobicContact CD1-CD2 4.17Å; L541-L545 HydrophobicContact CD1-CG 3.92Å; L541-L545 HydrophobicContact CD2-CD1 4.48Å; L541-L545 HydrophobicContact CG-CD1 3.87Å; L541-L545 HydrophobicContact CG-CG 4.26Å; L541-L545 WeakPolarHBondContact O-CG 3.25Å; L541-L545 PolarHBondContact O-N 3.46Å; L541-L545 VanDerWaalsContact O-N 3.09Å; L541-F557 HydrophobicContact CD2-CE2 4.46Å
542I86.3Confident87.2Confident2 Ų222.4 Ų22.41%0.0111%0.11CC..Hα-helixtrans-71.3-25-172.1-69.7-90.8000111.4S538 H540 I544 L545 V550 F557 W599 V602 R606S538-I542 WeakPolarHBondContact O-CB 3.24Å; S538-I542 WeakPolarHBondContact O-CG1 3.49Å; S538-I542 PolarHBondContact O-N 3.01Å; H540-I542 PolarHBondContact O-N 3.41Å; I542-I544 VanDerWaalsContact C-N 3.35Å; I542-L545 HydrophobicContact CD1-CD1 4.33Å; I542-V550 HydrophobicContact CD1-CG1 4.43Å; I542-V550 HydrophobicContact CD1-CG2 4.07Å; I542-F557 HydrophobicContact CD1-CD2 4.4Å; I542-W599 HydrophobicContact CB-CH2 3.6Å; I542-W599 HydrophobicContact CB-CZ3 3.6Å; I542-W599 HydrophobicContact CD1-CH2 4.23Å; I542-W599 HydrophobicContact CG1-CH2 3.42Å; I542-W599 VanDerWaalsContact CG1-CH2 3.42Å; I542-W599 HydrophobicContact CG1-CZ2 4.3Å; I542-W599 HydrophobicContact CG1-CZ3 3.97Å; I542-W599 HydrophobicContact CG2-CH2 3.81Å; I542-W599 HydrophobicContact CG2-CZ3 3.75Å; I542-V602 HydrophobicContact CG2-CG1 3.91Å; I542-R606 PolarHBondContact O-NH2 3.34Å
543T81.3Confident86.7Confident38 Ų3826.5 Ų26.523%0.23313%0.129CC..Hα-helixtrans-73.1-26.1174.1-52.50000112.7R539 H540 L541R539-T543 WeakPolarHBondContact O-CB 3.29Å; R539-T543 PolarHBondContact O-N 2.89Å; R539-T543 VanDerWaalsContact O-N 3.13Å; R539-T543 PolarHBondContact O-OG1 3.19Å; H540-T543 PolarHBondContact O-N 3.06Å; L541-T543 PolarHBondContact O-N 3.06Å
544I77.8Confident86.3Confident75 Ų7529.7 Ų29.739%0.38514%0.144SC..Hα-helixtrans-90.4-21.3178.362.6167.7000113.3H540 L541 I542H540-I544 PolarHBondContact O-N 3.27Å; L541-I544 HydrophobicContact CD1-CD1 4.36Å; L541-I544 HydrophobicContact CD1-CG1 4.46Å; L541-I544 WeakPolarHBondContact O-CG1 3.31Å; L541-I544 PolarHBondContact O-N 3.1Å; L541-I544 VanDerWaalsContact O-N 3.09Å; I542-I544 VanDerWaalsContact C-N 3.35Å
545L79.8Confident85.7Confident13 Ų1331.9 Ų31.97%0.06816%0.155CC..SBendtrans-77.5137.3177.5-66.4177.7000111.1L541 I542 E549 V550 I555 R606L541-L545 HydrophobicContact CD1-CD1 3.9Å; L541-L545 HydrophobicContact CD1-CD2 4.17Å; L541-L545 HydrophobicContact CD1-CG 3.92Å; L541-L545 HydrophobicContact CD2-CD1 4.48Å; L541-L545 HydrophobicContact CG-CD1 3.87Å; L541-L545 HydrophobicContact CG-CG 4.26Å; L541-L545 WeakPolarHBondContact O-CG 3.25Å; L541-L545 PolarHBondContact O-N 3.46Å; L541-L545 VanDerWaalsContact O-N 3.09Å; I542-L545 HydrophobicContact CD1-CD1 4.33Å; L545-E549 VanDerWaalsContact CA-OE2 3.27Å; L545-E549 WeakPolarHBondContact CA-OE2 3.49Å; L545-E549 HydrophobicContact CB-CB 4.2Å; L545-E549 HydrophobicContact CD2-CB 4.13Å; L545-E549 WeakPolarHBondContact CD2-OE2 3.05Å; L545-V550 HydrophobicContact CB-CG2 3.48Å; L545-V550 VanDerWaalsContact CB-CG2 3.48Å; L545-V550 HydrophobicContact CD1-CG2 3.85Å; L545-V550 HydrophobicContact CG-CG2 4.34Å; L545-I555 HydrophobicContact CD1-CB 4.38Å; L545-I555 HydrophobicContact CD1-CG2 4.48Å; L545-I555 HydrophobicContact CD2-CG2 4.39Å; L545-R606 PolarHBondContact O-NH2 3.13Å
546D78.1Confident85.2Confident6 Ų633 Ų333%0.03216%0.163CC..  trans-81.5177175.468.351.3000112.6I548 E549 V550 K836 R837D546-I548 VanDerWaalsContact C-N 3.31Å; D546-I548 PolarHBondContact O-N 3.1Å; D546-I548 WeakPolarHBondContact OD1-CB 3.48Å; D546-I548 PolarHBondContact OD1-N 3.22Å; D546-E549 PolarHBondContact N-OE2 3.44Å; D546-E549 PolarHBondContact O-N 2.86Å; D546-E549 WeakPolarHBondContact OD1-CG 3.29Å; D546-E549 PolarHBondContact OD1-N 3.28Å; D546-V550 PolarHBondContact O-N 2.83Å; D546-K836 IonicContact OD2-NZ 3.89Å; D546-K836 PolarHBondContact OD2-NZ 3.01Å; D546-R837 IonicContact OD1-NH2 3.64Å
547D79.5Confident84.9Confident22 Ų2232.9 Ų32.912%0.11816%0.162CC..Hα-helixtrans-64.5-35.4-177.2-791.1000113.8Y551 R609D547-Y551 HydrophobicContact CB-CD2 4.2Å; D547-Y551 WeakPolarHBondContact O-CB 3.49Å; D547-Y551 VanDerWaalsContact O-CD2 3.29Å; D547-Y551 WeakPolarHBondContact O-CD2 3.46Å; D547-Y551 PolarHBondContact O-N 2.81Å; D547-R609 IonicContact OD1-CZ 3.77Å; D547-R609 IonicContact OD1-NH1 2.91Å; D547-R609 PolarHBondContact OD1-NH1 3.18Å; D547-R609 IonicContact OD1-NH2 2.82Å; D547-R609 PolarHBondContact OD1-NH2 3.47Å; D547-R609 IonicContact OD2-CZ 3.76Å; D547-R609 IonicContact OD2-NH1 3.38Å; D547-R609 PolarHBondContact OD2-NH1 2.83Å; D547-R609 IonicContact OD2-NH2 2.94Å
548I81.3Confident84.8Confident46 Ų4637.4 Ų37.424%0.23618%0.181CC..Iπ-helixtrans-70-46.6-178.4-59.6171.2000107.2D546 V550 E552 E553D546-I548 VanDerWaalsContact C-N 3.31Å; D546-I548 PolarHBondContact O-N 3.1Å; D546-I548 WeakPolarHBondContact OD1-CB 3.48Å; D546-I548 PolarHBondContact OD1-N 3.22Å; I548-V550 VanDerWaalsContact C-N 3.33Å; I548-V550 PolarHBondContact O-N 3.29Å; I548-E552 HydrophobicContact CG2-CB 4.22Å; I548-E552 WeakPolarHBondContact O-CA 3.39Å; I548-E552 WeakPolarHBondContact O-CB 3.42Å; I548-E552 PolarHBondContact O-N 3.39Å; I548-E553 HydrophobicContact CG2-CG 4.14Å; I548-E553 WeakPolarHBondContact CG2-OE1 3.49Å; I548-E553 PolarHBondContact O-N 2.66Å
549E84.6Confident84.6Confident30 Ų3039.3 Ų39.314%0.1419%0.192CC..Iπ-helixtrans-58.4-40.8178.1-69.8173.3150.800112.7L545 D546 Q554 I555 K836L545-E549 VanDerWaalsContact CA-OE2 3.27Å; L545-E549 WeakPolarHBondContact CA-OE2 3.49Å; L545-E549 HydrophobicContact CB-CB 4.2Å; L545-E549 HydrophobicContact CD2-CB 4.13Å; L545-E549 WeakPolarHBondContact CD2-OE2 3.05Å; D546-E549 PolarHBondContact N-OE2 3.44Å; D546-E549 PolarHBondContact O-N 2.86Å; D546-E549 WeakPolarHBondContact OD1-CG 3.29Å; D546-E549 PolarHBondContact OD1-N 3.28Å; E549-Q554 WeakPolarHBondContact O-CA 3.45Å; E549-Q554 PolarHBondContact O-N 3.35Å; E549-I555 HydrophobicContact CB-CD1 3.8Å; E549-I555 HydrophobicContact CB-CG1 4.22Å; E549-I555 HydrophobicContact CG-CD1 3.65Å; E549-I555 PolarHBondContact O-N 3.33Å; E549-K836 IonicContact OE1-NZ 3.32Å; E549-K836 PolarHBondContact OE1-NZ 3.17Å; E549-K836 IonicContact OE2-NZ 3.51Å; E549-K836 PolarHBondContact OE2-NZ 2.94Å
550V85.8Confident84.5Confident5 Ų542.3 Ų42.33%0.0321%0.208CC..Iπ-helixtrans-85.2-44.9-177.4174.80000113.9I542 L545 D546 I548 Q554 L562I542-V550 HydrophobicContact CD1-CG1 4.43Å; I542-V550 HydrophobicContact CD1-CG2 4.07Å; L545-V550 HydrophobicContact CB-CG2 3.48Å; L545-V550 VanDerWaalsContact CB-CG2 3.48Å; L545-V550 HydrophobicContact CD1-CG2 3.85Å; L545-V550 HydrophobicContact CG-CG2 4.34Å; D546-V550 PolarHBondContact O-N 2.83Å; I548-V550 VanDerWaalsContact C-N 3.33Å; I548-V550 PolarHBondContact O-N 3.29Å; V550-Q554 WeakPolarHBondContact O-CA 3.16Å; V550-Q554 WeakPolarHBondContact O-CG 3.46Å; V550-L562 HydrophobicContact CG1-CD1 4.3Å
551Y85.8Confident84.6Confident12 Ų1242.6 Ų42.65%0.04721%0.209CC..Iπ-helixtrans-93.3-32.4-171.7-64.9-83.5000113.5D547 L559 R606 R610 F612D547-Y551 HydrophobicContact CB-CD2 4.2Å; D547-Y551 WeakPolarHBondContact O-CB 3.49Å; D547-Y551 VanDerWaalsContact O-CD2 3.29Å; D547-Y551 WeakPolarHBondContact O-CD2 3.46Å; D547-Y551 PolarHBondContact O-N 2.81Å; Y551-L559 HydrophobicContact CD1-CD2 4.01Å; Y551-R606 PolarHBondContact OH-O 3.11Å; Y551-R610 HydrophobicContact CD1-CG 4.03Å; Y551-R610 HydrophobicContact CE1-CB 3.92Å; Y551-R610 HydrophobicContact CE1-CG 3.83Å; Y551-R610 VanDerWaalsContact CE1-O 3.31Å; Y551-R610 WeakPolarHBondContact CE1-O 3.47Å; Y551-R610 HydrophobicContact CE2-CB 4.16Å; Y551-R610 HydrophobicContact CE2-CG 4.47Å; Y551-R610 HydrophobicContact CG-CG 4.41Å; Y551-R610 PolarHBondContact OH-O 3.41Å; Y551-F612 HydrophobicContact CE1-CB 4.36Å; Y551-F612 AromaticContact CE1-CD1 3.96Å; Y551-F612 HydrophobicContact CE1-CD1 3.96Å
552E85.4Confident84.8Confident120 Ų12042.4 Ų42.456%0.56121%0.208SC*.Iπ-helixtrans-101.2-53.5-173.9-61.7175.6-16100111.1I548 R610I548-E552 HydrophobicContact CG2-CB 4.22Å; I548-E552 WeakPolarHBondContact O-CA 3.39Å; I548-E552 WeakPolarHBondContact O-CB 3.42Å; I548-E552 PolarHBondContact O-N 3.39Å; E552-R610 IonicContact OE1-NH1 2.69Å; E552-R610 IonicContact OE1-NH2 3.68Å
553E84.5Confident85.2Confident98 Ų9843.9 Ų43.946%0.45822%0.217SC..SBendtrans-80.4-25.6179.4-60.5173.9-164.500111.9I548 I555 R837I548-E553 HydrophobicContact CG2-CG 4.14Å; I548-E553 WeakPolarHBondContact CG2-OE1 3.49Å; I548-E553 PolarHBondContact O-N 2.66Å; E553-I555 VanDerWaalsContact C-N 3.34Å; E553-I555 HydrophobicContact CB-CG1 4.04Å; E553-I555 PolarHBondContact O-N 3.18Å; E553-R837 IonicContact OE1-CZ 3.95Å; E553-R837 IonicContact OE1-NH1 3.7Å; E553-R837 IonicContact OE1-NH2 3.73Å; E553-R837 PolarHBondContact OE1-NH2 3.49Å
554Q87.4Confident85.6Confident72 Ų7244.2 Ų44.234%0.33622%0.219SC..  trans51.649.6-178.3-66.717959.700112.5E549 V550 S556 K558 L559E549-Q554 WeakPolarHBondContact O-CA 3.45Å; E549-Q554 PolarHBondContact O-N 3.35Å; V550-Q554 WeakPolarHBondContact O-CA 3.16Å; V550-Q554 WeakPolarHBondContact O-CG 3.46Å; Q554-S556 PolarHBondContact O-N 2.95Å; Q554-K558 VanDerWaalsContact OE1-CA 3.27Å; Q554-L559 HydrophobicContact CG-CG 4.25Å
555I82.3Confident86.3Confident45 Ų4540.7 Ų40.723%0.23120%0.201CC..  trans-60.6132.9177.8-61.1-173000109.9L545 E549 E553 F557L545-I555 HydrophobicContact CD1-CB 4.38Å; L545-I555 HydrophobicContact CD1-CG2 4.48Å; L545-I555 HydrophobicContact CD2-CG2 4.39Å; E549-I555 HydrophobicContact CB-CD1 3.8Å; E549-I555 HydrophobicContact CB-CG1 4.22Å; E549-I555 HydrophobicContact CG-CD1 3.65Å; E549-I555 PolarHBondContact O-N 3.33Å; E553-I555 VanDerWaalsContact C-N 3.34Å; E553-I555 HydrophobicContact CB-CG1 4.04Å; E553-I555 PolarHBondContact O-N 3.18Å; I555-F557 PolarHBondContact O-N 3.29Å
556S84.5Confident87.1Confident24 Ų2440 Ų4017%0.16820%0.197CC..SBendtrans62.1-59.5-174.2-58.50000114.9D491 P495 Q554D491-S556 PolarHBondContact O-OG 3.16Å; P495-S556 WeakPolarHBondContact CG-O 3.26Å; Q554-S556 PolarHBondContact O-N 2.95Å
557F88.6Confident87.8Confident3 Ų342.4 Ų42.41%0.01321%0.214CC..SBendtrans-112.5137.5-176-65.1-73.2000112.6L494 P495 F534 L541 I542 I555 L562 I565L494-F557 HydrophobicContact CB-CE1 4.48Å; L494-F557 HydrophobicContact CB-CE2 4.15Å; L494-F557 HydrophobicContact CB-CZ 3.65Å; L494-F557 HydrophobicContact CD1-CE2 4.35Å; P495-F557 HydrophobicContact CB-CE1 4.45Å; P495-F557 HydrophobicContact CG-CD1 4.25Å; P495-F557 HydrophobicContact CG-CE1 4.21Å; F534-F557 HydrophobicContact CE2-CE1 4.22Å; F534-F557 AromaticContact CE2-CZ 3.86Å; F534-F557 HydrophobicContact CE2-CZ 3.86Å; F534-F557 HydrophobicContact CZ-CE1 4.3Å; F534-F557 HydrophobicContact CZ-CZ 4.09Å; L541-F557 HydrophobicContact CD2-CE2 4.46Å; I542-F557 HydrophobicContact CD1-CD2 4.4Å; I555-F557 PolarHBondContact O-N 3.29Å; F557-L562 HydrophobicContact CB-CD2 3.6Å; F557-L562 HydrophobicContact CB-CG 4.03Å; F557-L562 HydrophobicContact CD2-CD2 4.19Å; F557-L562 HydrophobicContact CG-CD2 3.91Å; F557-I565 HydrophobicContact CD1-CD1 3.94Å; F557-I565 HydrophobicContact CE1-CD1 3.82Å; F557-I565 HydrophobicContact CZ-CD1 4.46Å
558K89.3Confident88.4Confident99 Ų9942.1 Ų42.143%0.4321%0.212SC..  trans-76.1152.8166.5-64-179.9-179.7176.80111.1Q554 E560 E561 L562Q554-K558 VanDerWaalsContact OE1-CA 3.27Å; K558-E560 PolarHBondContact O-N 2.83Å; K558-E561 HydrophobicContact CB-CG 4.15Å; K558-E561 PolarHBondContact N-OE2 3.03Å; K558-E561 WeakPolarHBondContact O-CA 3.46Å; K558-E561 WeakPolarHBondContact O-CB 3.24Å; K558-E561 PolarHBondContact O-N 3.23Å; K558-L562 PolarHBondContact O-N 3.04Å
559L90.1Very high89.1Confident41 Ų4140 Ų4022%0.21520%0.201CC..Hα-helixtrans-57-38.3176-64.4-179.4000112.2Y551 Q554 E561 L562 V563 F612Y551-L559 HydrophobicContact CD1-CD2 4.01Å; Q554-L559 HydrophobicContact CG-CG 4.25Å; L559-E561 VanDerWaalsContact C-N 3.32Å; L559-E561 PolarHBondContact O-N 3.25Å; L559-L562 HydrophobicContact CD2-CD1 4.26Å; L559-L562 PolarHBondContact O-N 2.96Å; L559-V563 WeakPolarHBondContact O-CG2 3.41Å; L559-V563 PolarHBondContact O-N 3.19Å; L559-F612 HydrophobicContact CD1-CB 4.32Å; L559-F612 HydrophobicContact CD2-CB 4.04Å; L559-F612 HydrophobicContact CD2-CG 4.31Å
560E88.1Confident89.6Confident106 Ų10638.6 Ų38.650%0.49520%0.195SC..Hα-helixtrans-62.3-38175.3-64.5179.8178.400112.4V442 L446 K558 V563 T564V442-E560 VanDerWaalsContact CG1-OE2 3.26Å; V442-E560 WeakPolarHBondContact CG1-OE2 3.5Å; L446-E560 HydrophobicContact CD2-CB 4.33Å; K558-E560 PolarHBondContact O-N 2.83Å; E560-V563 WeakPolarHBondContact O-CB 3.26Å; E560-V563 PolarHBondContact O-N 2.84Å; E560-T564 PolarHBondContact O-N 2.76Å; E560-T564 VanDerWaalsContact O-N 3.1Å
561E88.7Confident90Very high31 Ų3139 Ų3915%0.14520%0.197CC..Hα-helixtrans-67.2-42.8176.3-65.7172149.400110.2K558 L559 V563 T564 I565K558-E561 HydrophobicContact CB-CG 4.15Å; K558-E561 PolarHBondContact N-OE2 3.03Å; K558-E561 WeakPolarHBondContact O-CA 3.46Å; K558-E561 WeakPolarHBondContact O-CB 3.24Å; K558-E561 PolarHBondContact O-N 3.23Å; L559-E561 VanDerWaalsContact C-N 3.32Å; L559-E561 PolarHBondContact O-N 3.25Å; E561-V563 VanDerWaalsContact C-N 3.26Å; E561-V563 PolarHBondContact O-N 2.96Å; E561-T564 PolarHBondContact O-N 2.81Å; E561-T564 PolarHBondContact O-OG1 2.93Å; E561-I565 VanDerWaalsContact O-CG1 3.29Å; E561-I565 WeakPolarHBondContact O-CG1 3.46Å; E561-I565 PolarHBondContact O-N 2.88Å
562L92.8Very high90.4Very high3 Ų338.4 Ų38.42%0.01620%0.195CC..Hα-helixtrans-59.6-35.5174.6-61.3-175.9000112.3V550 F557 K558 L559 I565 S566 W599 L603 F612V550-L562 HydrophobicContact CG1-CD1 4.3Å; F557-L562 HydrophobicContact CB-CD2 3.6Å; F557-L562 HydrophobicContact CB-CG 4.03Å; F557-L562 HydrophobicContact CD2-CD2 4.19Å; F557-L562 HydrophobicContact CG-CD2 3.91Å; K558-L562 PolarHBondContact O-N 3.04Å; L559-L562 HydrophobicContact CD2-CD1 4.26Å; L559-L562 PolarHBondContact O-N 2.96Å; L562-I565 HydrophobicContact CD2-CD1 4.43Å; L562-S566 VanDerWaalsContact O-CB 3.32Å; L562-S566 WeakPolarHBondContact O-CB 3.31Å; L562-S566 PolarHBondContact O-N 3.32Å; L562-S566 PolarHBondContact O-OG 3.21Å; L562-W599 HydrophobicContact CD2-CZ2 4.37Å; L562-L603 HydrophobicContact CB-CD2 4.41Å; L562-L603 HydrophobicContact CD1-CD2 4.47Å; L562-L603 HydrophobicContact CD2-CD2 4.05Å; L562-F612 HydrophobicContact CB-CD2 4.35Å; L562-F612 HydrophobicContact CB-CE2 3.72Å; L562-F612 HydrophobicContact CB-CZ 4.29Å
563V92.7Very high90.8Very high32 Ų3232.7 Ų32.719%0.19417%0.168CC..Hα-helixtrans-64.5-44.8172.4174.50000110.9L559 E560 E561 S566 S567 F612 A613 H617L559-V563 WeakPolarHBondContact O-CG2 3.41Å; L559-V563 PolarHBondContact O-N 3.19Å; E560-V563 WeakPolarHBondContact O-CB 3.26Å; E560-V563 PolarHBondContact O-N 2.84Å; E561-V563 VanDerWaalsContact C-N 3.26Å; E561-V563 PolarHBondContact O-N 2.96Å; V563-S566 WeakPolarHBondContact CA-OG 3.37Å; V563-S566 PolarHBondContact O-OG 3.03Å; V563-S567 WeakPolarHBondContact O-CB 3.37Å; V563-S567 PolarHBondContact O-N 2.65Å; V563-F612 HydrophobicContact CG2-CD2 3.85Å; V563-F612 HydrophobicContact CG2-CE2 4.11Å; V563-A613 HydrophobicContact CG2-CB 4.42Å; V563-H617 PolarHBondContact O-CE1 3.32Å
564T90.3Very high91.3Very high46 Ų4628.2 Ų28.228%0.28215%0.147SC..Hα-helixtrans-65.3-42177.464.30000112.9L446 E560 E561 S567 F568L446-T564 HydrophobicContact CD2-CG2 3.53Å; E560-T564 PolarHBondContact O-N 2.76Å; E560-T564 VanDerWaalsContact O-N 3.1Å; E561-T564 PolarHBondContact O-N 2.81Å; E561-T564 PolarHBondContact O-OG1 2.93Å; T564-S567 PolarHBondContact O-N 3.42Å; T564-F568 PolarHBondContact O-N 3.36Å
565I93.8Very high91.6Very high0 Ų028.1 Ų28.10%015%0.146CC..Hα-helixtrans-62.1-51.6177.4-68.9162.5000109.6W498 F534 F557 E561 L562 S567 F568 L569 L603W498-I565 HydrophobicContact CD2-CD1 4.25Å; W498-I565 HydrophobicContact CD2-CG1 3.68Å; W498-I565 HydrophobicContact CE3-CG1 4.24Å; W498-I565 HydrophobicContact CG-CD1 4.2Å; W498-I565 HydrophobicContact CG-CG1 4.1Å; W498-I565 HydrophobicContact CH2-CG1 4.14Å; W498-I565 HydrophobicContact CZ2-CB 4.22Å; W498-I565 HydrophobicContact CZ2-CG1 3.56Å; W498-I565 HydrophobicContact CZ3-CG1 4.45Å; F534-I565 HydrophobicContact CE1-CG2 4.39Å; F534-I565 HydrophobicContact CZ-CD1 4.05Å; F534-I565 HydrophobicContact CZ-CG1 4.42Å; F557-I565 HydrophobicContact CD1-CD1 3.94Å; F557-I565 HydrophobicContact CE1-CD1 3.82Å; F557-I565 HydrophobicContact CZ-CD1 4.46Å; E561-I565 VanDerWaalsContact O-CG1 3.29Å; E561-I565 WeakPolarHBondContact O-CG1 3.46Å; E561-I565 PolarHBondContact O-N 2.88Å; L562-I565 HydrophobicContact CD2-CD1 4.43Å; I565-S567 VanDerWaalsContact C-N 3.32Å; I565-S567 PolarHBondContact O-N 3.42Å; I565-F568 WeakPolarHBondContact O-CB 3.29Å; I565-F568 PolarHBondContact O-N 2.69Å; I565-F568 VanDerWaalsContact O-N 3.13Å; I565-L569 HydrophobicContact CG2-CD1 3.61Å; I565-L569 HydrophobicContact CG2-CG 4.14Å; I565-L569 VanDerWaalsContact O-CG 3.26Å; I565-L569 WeakPolarHBondContact O-CG 3.33Å; I565-L569 PolarHBondContact O-N 3.47Å; I565-L603 HydrophobicContact CG2-CD1 3.95Å
566S95.1Very high92.1Very high0 Ų026 Ų260%014%0.135CC..Hα-helixtrans-60.8-38.5179.150.90000112.4L562 V563 L569 N570 H617L562-S566 VanDerWaalsContact O-CB 3.32Å; L562-S566 WeakPolarHBondContact O-CB 3.31Å; L562-S566 PolarHBondContact O-N 3.32Å; L562-S566 PolarHBondContact O-OG 3.21Å; V563-S566 WeakPolarHBondContact CA-OG 3.37Å; V563-S566 PolarHBondContact O-OG 3.03Å; S566-L569 PolarHBondContact O-N 2.81Å; S566-N570 WeakPolarHBondContact O-CB 3.31Å; S566-N570 PolarHBondContact O-N 2.69Å; S566-H617 PolarHBondContact OG-NE2 3.37Å
567S92.7Very high92.6Very high55 Ų5524.8 Ų24.839%0.38513%0.127SC..Hα-helixtrans-61-44.7173.3172.70000112.5V563 T564 I565 S571V563-S567 WeakPolarHBondContact O-CB 3.37Å; V563-S567 PolarHBondContact O-N 2.65Å; T564-S567 PolarHBondContact O-N 3.42Å; I565-S567 VanDerWaalsContact C-N 3.32Å; I565-S567 PolarHBondContact O-N 3.42Å; S567-S571 WeakPolarHBondContact O-CB 3.15Å; S567-S571 PolarHBondContact O-N 2.76Å; S567-S571 VanDerWaalsContact O-N 3.08Å; S567-S571 PolarHBondContact O-OG 2.9Å
568F93.4Very high92.7Very high17 Ų1726.6 Ų26.68%0.07513%0.134CC..Hα-helixtrans-59.6-53.1175.7172.4-80.4000110.8W498 L510 F513 L531 T564 I565 N570 S571 F572W498-F568 HydrophobicContact CH2-CB 3.81Å; W498-F568 AromaticContact CH2-CD1 3.96Å; W498-F568 HydrophobicContact CH2-CD1 3.96Å; W498-F568 HydrophobicContact CH2-CD2 4.03Å; W498-F568 AromaticContact CH2-CG 3.69Å; W498-F568 HydrophobicContact CH2-CG 3.69Å; W498-F568 HydrophobicContact CZ2-CB 4.36Å; W498-F568 HydrophobicContact CZ3-CD1 4.37Å; W498-F568 HydrophobicContact CZ3-CG 4.48Å; L510-F568 HydrophobicContact CB-CD2 3.74Å; L510-F568 HydrophobicContact CB-CE2 3.82Å; L510-F568 HydrophobicContact CD1-CD2 3.87Å; L510-F568 HydrophobicContact CD1-CE2 3.92Å; L510-F568 HydrophobicContact CD1-CG 4.29Å; L510-F568 HydrophobicContact CD1-CZ 4.32Å; L510-F568 HydrophobicContact CG-CD2 4.37Å; F513-F568 HydrophobicContact CB-CZ 4.41Å; F513-F568 HydrophobicContact CD2-CE2 4.2Å; F513-F568 AromaticContact CD2-CZ 3.94Å; F513-F568 HydrophobicContact CD2-CZ 3.94Å; F513-F568 HydrophobicContact CG-CZ 4.35Å; L531-F568 HydrophobicContact CD1-CE1 3.8Å; L531-F568 HydrophobicContact CD1-CZ 4.15Å; L531-F568 HydrophobicContact CD2-CE1 4.06Å; L531-F568 HydrophobicContact CD2-CZ 4.15Å; T564-F568 PolarHBondContact O-N 3.36Å; I565-F568 WeakPolarHBondContact O-CB 3.29Å; I565-F568 PolarHBondContact O-N 2.69Å; I565-F568 VanDerWaalsContact O-N 3.13Å; F568-N570 PolarHBondContact O-N 2.94Å; F568-S571 PolarHBondContact O-N 3.12Å; F568-F572 HydrophobicContact CE1-CB 4.44Å; F568-F572 WeakPolarHBondContact O-CB 3.24Å; F568-F572 PolarHBondContact O-N 3.17Å
569L95.6Very high92.8Very high0 Ų026 Ų260%014%0.135CC..Hα-helixtrans-64.4-43.1-176.4-61.7169.4000111.1I565 S566 S571 F572 V573 V596 W599 L600 L603I565-L569 HydrophobicContact CG2-CD1 3.61Å; I565-L569 HydrophobicContact CG2-CG 4.14Å; I565-L569 VanDerWaalsContact O-CG 3.26Å; I565-L569 WeakPolarHBondContact O-CG 3.33Å; I565-L569 PolarHBondContact O-N 3.47Å; S566-L569 PolarHBondContact O-N 2.81Å; L569-S571 VanDerWaalsContact C-N 3.29Å; L569-S571 PolarHBondContact O-N 3.12Å; L569-F572 PolarHBondContact O-N 3.01Å; L569-V573 WeakPolarHBondContact O-CB 3.47Å; L569-V573 VanDerWaalsContact O-CG2 3.31Å; L569-V573 WeakPolarHBondContact O-CG2 3.09Å; L569-V573 PolarHBondContact O-N 3.36Å; L569-V596 HydrophobicContact CB-CG1 4.37Å; L569-V596 HydrophobicContact CD2-CB 4.49Å; L569-V596 HydrophobicContact CD2-CG1 3.47Å; L569-V596 VanDerWaalsContact CD2-CG1 3.47Å; L569-V596 HydrophobicContact CG-CG1 4.5Å; L569-W599 HydrophobicContact CD1-CB 4.2Å; L569-W599 HydrophobicContact CD1-CG 3.83Å; L569-L600 HydrophobicContact CB-CB 4.09Å; L569-L600 HydrophobicContact CB-CD1 3.96Å; L569-L603 HydrophobicContact CD1-CD1 4.07Å
570N95Very high92.7Very high2 Ų225.1 Ų25.11%0.01114%0.136CC..Hα-helixtrans-62.1-39.9179.6-163.932000110.9S566 F568 F574 L600 W618 H648 V649S566-N570 WeakPolarHBondContact O-CB 3.31Å; S566-N570 PolarHBondContact O-N 2.69Å; F568-N570 PolarHBondContact O-N 2.94Å; N570-F574 WeakPolarHBondContact O-CB 3.47Å; N570-F574 PolarHBondContact O-N 3.28Å; N570-L600 HydrophobicContact CB-CD1 3.79Å; N570-W618 PolarHBondContact ND2-O 3.49Å; N570-H648 PolarHBondContact OD1-NE2 3.39Å; N570-V649 WeakPolarHBondContact OD1-CG1 3.37Å
571S93.6Very high92.8Very high12 Ų1221.9 Ų21.98%0.08412%0.122CC..Hα-helixtrans-67-44.6174-55.70000112.4S567 F568 L569 K575 R620S567-S571 WeakPolarHBondContact O-CB 3.15Å; S567-S571 PolarHBondContact O-N 2.76Å; S567-S571 VanDerWaalsContact O-N 3.08Å; S567-S571 PolarHBondContact O-OG 2.9Å; F568-S571 PolarHBondContact O-N 3.12Å; L569-S571 VanDerWaalsContact C-N 3.29Å; L569-S571 PolarHBondContact O-N 3.12Å; S571-K575 WeakPolarHBondContact O-CB 3.47Å; S571-K575 WeakPolarHBondContact O-CG 3.48Å; S571-K575 PolarHBondContact O-N 2.91Å; S571-R620 PolarHBondContact OG-NH1 2.89Å
572F94.3Very high92.9Very high0 Ų021.1 Ų21.10%012%0.119CC..Hα-helixtrans-66.5-50.1-176.5-169.2-93.4000111.9L510 F513 L514 L517 L528 L531 F568 L569 F574 K575 M576 L592 V596L510-F572 HydrophobicContact CD1-CB 4Å; L510-F572 HydrophobicContact CD1-CD2 4.08Å; F513-F572 HydrophobicContact CB-CD2 4.29Å; F513-F572 HydrophobicContact CB-CE2 3.62Å; F513-F572 HydrophobicContact CB-CZ 4.39Å; L514-F572 HydrophobicContact CD2-CD2 3.68Å; L514-F572 HydrophobicContact CD2-CE2 4.02Å; L514-F572 HydrophobicContact CD2-CG 4.46Å; L514-F572 HydrophobicContact CG-CD2 4.15Å; L514-F572 HydrophobicContact CG-CE2 4.46Å; L517-F572 HydrophobicContact CD1-CE1 4.16Å; L517-F572 HydrophobicContact CD1-CE2 3.74Å; L517-F572 HydrophobicContact CD1-CZ 3.56Å; L517-F572 HydrophobicContact CD2-CE1 4.46Å; L517-F572 HydrophobicContact CD2-CZ 3.91Å; L517-F572 HydrophobicContact CG-CE2 4.12Å; L517-F572 HydrophobicContact CG-CZ 3.76Å; L528-F572 HydrophobicContact CD2-CZ 4.31Å; L531-F572 HydrophobicContact CD2-CE1 4.23Å; L531-F572 HydrophobicContact CD2-CE2 4.4Å; L531-F572 HydrophobicContact CD2-CZ 4.06Å; F568-F572 HydrophobicContact CE1-CB 4.44Å; F568-F572 WeakPolarHBondContact O-CB 3.24Å; F568-F572 PolarHBondContact O-N 3.17Å; L569-F572 PolarHBondContact O-N 3.01Å; F572-F574 PolarHBondContact O-N 3.49Å; F572-K575 PolarHBondContact O-N 3.27Å; F572-M576 HydrophobicContact CD1-CG 4.18Å; F572-M576 HydrophobicContact CD1-SD 3.72Å; F572-M576 HydrophobicContact CE1-CG 4.08Å; F572-M576 HydrophobicContact CE1-SD 3.4Å; F572-M576 WeakPolarHBondContact CE1-SD 3.4Å; F572-M576 HydrophobicContact CZ-SD 4.36Å; F572-M576 WeakPolarHBondContact O-CG 3.46Å; F572-M576 PolarHBondContact O-N 3.22Å; F572-L592 HydrophobicContact CE1-CD2 4.34Å; F572-L592 HydrophobicContact CZ-CD2 4.39Å; F572-V596 HydrophobicContact CD1-CG1 3.87Å; F572-V596 HydrophobicContact CD1-CG2 4.39Å; F572-V596 HydrophobicContact CE1-CG2 4.27Å
573V95.4Very high92.6Very high0 Ų024.1 Ų24.10%013%0.133CC..Hα-helixtrans-63.9-41.6178.41780000111L569 K575 M576 I577 F593 V596 L600 I646L569-V573 WeakPolarHBondContact O-CB 3.47Å; L569-V573 VanDerWaalsContact O-CG2 3.31Å; L569-V573 WeakPolarHBondContact O-CG2 3.09Å; L569-V573 PolarHBondContact O-N 3.36Å; V573-K575 VanDerWaalsContact C-N 3.32Å; V573-K575 PolarHBondContact O-N 2.97Å; V573-M576 PolarHBondContact O-N 2.94Å; V573-I577 HydrophobicContact CG1-CD1 4.08Å; V573-I577 WeakPolarHBondContact O-CG1 3.44Å; V573-I577 PolarHBondContact O-N 2.72Å; V573-I577 VanDerWaalsContact O-N 3.1Å; V573-F593 HydrophobicContact CG1-CE2 3.83Å; V573-V596 HydrophobicContact CG2-CB 4.19Å; V573-V596 HydrophobicContact CG2-CG1 3.5Å; V573-L600 HydrophobicContact CB-CD2 3.97Å; V573-L600 HydrophobicContact CG1-CD2 4.27Å; V573-L600 HydrophobicContact CG2-CD2 3.97Å; V573-I646 HydrophobicContact CG1-CD1 4.35Å; V573-I646 HydrophobicContact CG1-CG2 3.69Å
574F94.9Very high92.1Very high4 Ų428.6 Ų28.62%0.01816%0.156CC..Hα-helixtrans-57-46.4174.2171.9-100.9000111.5N570 F572 I577 W578 R620 L623 L642 I646N570-F574 WeakPolarHBondContact O-CB 3.47Å; N570-F574 PolarHBondContact O-N 3.28Å; F572-F574 PolarHBondContact O-N 3.49Å; F574-I577 PolarHBondContact O-N 3.43Å; F574-W578 HydrophobicContact CE1-CB 4.25Å; F574-W578 HydrophobicContact CE1-CG 4.32Å; F574-W578 HydrophobicContact CE2-CB 4.24Å; F574-W578 HydrophobicContact CE2-CD2 4.3Å; F574-W578 HydrophobicContact CE2-CE3 4.23Å; F574-W578 HydrophobicContact CE2-CG 4.33Å; F574-W578 HydrophobicContact CZ-CB 4.05Å; F574-W578 HydrophobicContact CZ-CD2 4.05Å; F574-W578 HydrophobicContact CZ-CE3 4.41Å; F574-W578 AromaticContact CZ-CG 3.88Å; F574-W578 HydrophobicContact CZ-CG 3.88Å; F574-W578 WeakPolarHBondContact O-CB 3.24Å; F574-W578 PolarHBondContact O-N 2.9Å; F574-R620 HydrophobicContact CB-CG 4.37Å; F574-R620 HydrophobicContact CD1-CG 4.4Å; F574-R620 HydrophobicContact CD2-CG 3.99Å; F574-R620 HydrophobicContact CE2-CB 4.49Å; F574-R620 HydrophobicContact CE2-CG 4.42Å; F574-R620 HydrophobicContact CG-CG 3.99Å; F574-L623 HydrophobicContact CE2-CB 4.29Å; F574-L623 HydrophobicContact CE2-CD2 4.29Å; F574-L623 HydrophobicContact CZ-CB 4.26Å; F574-L642 HydrophobicContact CD2-CD1 3.93Å; F574-L642 HydrophobicContact CE2-CD1 3.71Å; F574-I646 HydrophobicContact CB-CD1 4.01Å; F574-I646 HydrophobicContact CD2-CD1 4.31Å
575K92.8Very high91.8Very high70 Ų7027.3 Ų27.330%0.30415%0.15SC..Hα-helixtrans-64.3-43.9178.1-78.9-73.4-178.9179.50112.8L514 S571 F572 V573 I577 W578 D579L514-K575 HydrophobicContact CD1-CG 4.3Å; L514-K575 HydrophobicContact CD2-CB 3.68Å; L514-K575 HydrophobicContact CD2-CG 4.14Å; S571-K575 WeakPolarHBondContact O-CB 3.47Å; S571-K575 WeakPolarHBondContact O-CG 3.48Å; S571-K575 PolarHBondContact O-N 2.91Å; F572-K575 PolarHBondContact O-N 3.27Å; V573-K575 VanDerWaalsContact C-N 3.32Å; V573-K575 PolarHBondContact O-N 2.97Å; K575-I577 VanDerWaalsContact C-N 3.26Å; K575-I577 PolarHBondContact O-N 2.91Å; K575-W578 PolarHBondContact O-N 2.95Å; K575-D579 WeakPolarHBondContact CD-OD2 3.31Å; K575-D579 IonicContact NZ-OD1 3.74Å; K575-D579 IonicContact NZ-OD2 2.65Å; K575-D579 VanDerWaalsContact O-CB 3.28Å; K575-D579 WeakPolarHBondContact O-CB 3.33Å; K575-D579 PolarHBondContact O-N 3.42Å
576M93.5Very high91.2Very high0 Ų037.7 Ų37.70%019%0.189CC..Hα-helixtrans-55.4-41.5175.1-71.1-175.978.600112.6L517 F572 V573 I581 V582 T589 L592 F593L517-M576 HydrophobicContact CD1-CG 3.6Å; L517-M576 HydrophobicContact CD1-SD 4.46Å; L517-M576 HydrophobicContact CD2-CE 4.2Å; L517-M576 HydrophobicContact CD2-CG 4.48Å; F572-M576 HydrophobicContact CD1-CG 4.18Å; F572-M576 HydrophobicContact CD1-SD 3.72Å; F572-M576 HydrophobicContact CE1-CG 4.08Å; F572-M576 HydrophobicContact CE1-SD 3.4Å; F572-M576 WeakPolarHBondContact CE1-SD 3.4Å; F572-M576 HydrophobicContact CZ-SD 4.36Å; F572-M576 WeakPolarHBondContact O-CG 3.46Å; F572-M576 PolarHBondContact O-N 3.22Å; V573-M576 PolarHBondContact O-N 2.94Å; M576-I581 WeakPolarHBondContact O-CB 3.44Å; M576-I581 PolarHBondContact O-N 3.48Å; M576-V582 HydrophobicContact CB-CG2 3.88Å; M576-V582 PolarHBondContact O-N 3.23Å; M576-T589 HydrophobicContact CE-CG2 4.42Å; M576-L592 HydrophobicContact CE-CD2 4.15Å; M576-L592 HydrophobicContact CE-CG 4.38Å; M576-F593 HydrophobicContact CE-CB 3.88Å; M576-F593 HydrophobicContact CE-CD2 4.27Å; M576-F593 HydrophobicContact SD-CD2 4.28Å
577I93.8Very high90.7Very high0 Ų040 Ų400%021%0.214CC..Hα-helixtrans-76.3-49.7179.1-64.8170.9000111.1V573 F574 K575 D579 G580 V582 F593 R638 L641 L642 I646V573-I577 HydrophobicContact CG1-CD1 4.08Å; V573-I577 WeakPolarHBondContact O-CG1 3.44Å; V573-I577 PolarHBondContact O-N 2.72Å; V573-I577 VanDerWaalsContact O-N 3.1Å; F574-I577 PolarHBondContact O-N 3.43Å; K575-I577 VanDerWaalsContact C-N 3.26Å; K575-I577 PolarHBondContact O-N 2.91Å; I577-D579 PolarHBondContact O-N 2.9Å; I577-G580 PolarHBondContact O-N 3.47Å; I577-G580 VanDerWaalsContact O-N 3.15Å; I577-V582 HydrophobicContact CG1-CB 4.44Å; I577-V582 HydrophobicContact CG1-CG2 3.94Å; I577-F593 HydrophobicContact CD1-CE2 3.95Å; I577-F593 HydrophobicContact CD1-CZ 4.14Å; I577-F593 HydrophobicContact CG1-CE2 3.87Å; I577-F593 HydrophobicContact CG1-CZ 4.36Å; I577-R638 WeakPolarHBondContact CG2-O 3.26Å; I577-L641 HydrophobicContact CG2-CB 3.78Å; I577-L642 HydrophobicContact CG2-CB 4.12Å; I577-I646 HydrophobicContact CD1-CD1 3.87Å; I577-I646 HydrophobicContact CD1-CG1 3.83Å
578W91.9Very high90.3Very high41 Ų4143.3 Ų43.316%0.15522%0.223CC..Hα-helixtrans-69-35.3-170.9-168.3-99.5000113.3F574 K575 G580 L623 V627 L628 R638 L642F574-W578 HydrophobicContact CE1-CB 4.25Å; F574-W578 HydrophobicContact CE1-CG 4.32Å; F574-W578 HydrophobicContact CE2-CB 4.24Å; F574-W578 HydrophobicContact CE2-CD2 4.3Å; F574-W578 HydrophobicContact CE2-CE3 4.23Å; F574-W578 HydrophobicContact CE2-CG 4.33Å; F574-W578 HydrophobicContact CZ-CB 4.05Å; F574-W578 HydrophobicContact CZ-CD2 4.05Å; F574-W578 HydrophobicContact CZ-CE3 4.41Å; F574-W578 AromaticContact CZ-CG 3.88Å; F574-W578 HydrophobicContact CZ-CG 3.88Å; F574-W578 WeakPolarHBondContact O-CB 3.24Å; F574-W578 PolarHBondContact O-N 2.9Å; K575-W578 PolarHBondContact O-N 2.95Å; W578-G580 PolarHBondContact O-N 2.88Å; W578-L623 HydrophobicContact CE3-CD1 4.14Å; W578-L623 HydrophobicContact CH2-CD1 3.38Å; W578-L623 HydrophobicContact CZ2-CD1 3.94Å; W578-L623 HydrophobicContact CZ3-CD1 3.5Å; W578-L623 VanDerWaalsContact CZ3-CD1 3.5Å; W578-V627 HydrophobicContact CH2-CG1 4.28Å; W578-V627 HydrophobicContact CZ2-CG1 4.2Å; W578-L628 HydrophobicContact CZ3-CD1 4.5Å; W578-R638 WeakPolarHBondContact O-CD 3.32Å; W578-L642 HydrophobicContact CE3-CD1 3.94Å; W578-L642 HydrophobicContact CZ3-CD1 4.22Å
579D91.1Very high90.1Very high86 Ų8645.2 Ų45.246%0.4624%0.236SC..THydrogen-bonded Turntrans-83.72.5177.7-59.1-16.3000111.8K575 I577K575-D579 WeakPolarHBondContact CD-OD2 3.31Å; K575-D579 IonicContact NZ-OD1 3.74Å; K575-D579 IonicContact NZ-OD2 2.65Å; K575-D579 VanDerWaalsContact O-CB 3.28Å; K575-D579 WeakPolarHBondContact O-CB 3.33Å; K575-D579 PolarHBondContact O-N 3.42Å; I577-D579 PolarHBondContact O-N 2.9Å
580G88.4Confident89.9Confident23 Ų2348.1 Ų48.124%0.23725%0.251CS..THydrogen-bonded Turntrans82.910170.800000115.8I577 W578 V582 E583I577-G580 PolarHBondContact O-N 3.47Å; I577-G580 VanDerWaalsContact O-N 3.15Å; W578-G580 PolarHBondContact O-N 2.88Å; G580-V582 PolarHBondContact O-N 2.99Å; G580-E583 PolarHBondContact O-N 2.71Å
581I88.9Confident89.7Confident37 Ų3752 Ų5219%0.1927%0.269CS..THydrogen-bonded Turntrans-65.9-39.4-177.9-59.8172.2000110.9L517 M576 E583 A585 T589L517-I581 HydrophobicContact CB-CD1 4.04Å; L517-I581 HydrophobicContact CD1-CD1 4.07Å; M576-I581 WeakPolarHBondContact O-CB 3.44Å; M576-I581 PolarHBondContact O-N 3.48Å; I581-E583 PolarHBondContact O-N 3.47Å; I581-A585 PolarHBondContact O-N 2.94Å; I581-T589 HydrophobicContact CG2-CG2 3.79Å
582V90.4Very high89.7Confident16 Ų1651.7 Ų51.710%0.09727%0.266CS..G310 helixtrans-70.4-30.4-177.8179.40000112.7M576 I577 G580 N584 A585 F593 L641M576-V582 HydrophobicContact CB-CG2 3.88Å; M576-V582 PolarHBondContact O-N 3.23Å; I577-V582 HydrophobicContact CG1-CB 4.44Å; I577-V582 HydrophobicContact CG1-CG2 3.94Å; G580-V582 PolarHBondContact O-N 2.99Å; V582-N584 PolarHBondContact O-N 3.31Å; V582-N584 VanDerWaalsContact O-N 3.1Å; V582-A585 PolarHBondContact O-N 2.81Å; V582-F593 HydrophobicContact CG1-CD1 4.47Å; V582-F593 HydrophobicContact CG1-CD2 4.46Å; V582-F593 HydrophobicContact CG1-CE1 4.38Å; V582-F593 HydrophobicContact CG1-CE2 4.35Å; V582-F593 HydrophobicContact CG1-CZ 4.32Å; V582-F593 HydrophobicContact CG2-CD2 3.49Å; V582-F593 VanDerWaalsContact CG2-CD2 3.49Å; V582-F593 HydrophobicContact CG2-CE2 3.67Å; V582-F593 HydrophobicContact CG2-CG 4.09Å; V582-F593 HydrophobicContact CG2-CZ 4.43Å; V582-L641 HydrophobicContact CB-CD1 4.44Å; V582-L641 HydrophobicContact CG1-CD1 4.25Å
583E87Confident89.7Confident65 Ų6551.7 Ų51.730%0.30427%0.267SS..G310 helixtrans-58.2-31.1-174.4-66.6-171.7-171.500113.3G580 I581 K637 R638 L641G580-E583 PolarHBondContact O-N 2.71Å; I581-E583 PolarHBondContact O-N 3.47Å; E583-K637 VanDerWaalsContact CD-CB 3.46Å; E583-K637 HydrophobicContact CG-CB 3.99Å; E583-K637 WeakPolarHBondContact OE1-CB 3.5Å; E583-R638 WeakPolarHBondContact OE1-CA 3.49Å; E583-R638 WeakPolarHBondContact OE1-CB 3.4Å; E583-R638 PolarHBondContact OE1-N 3.11Å; E583-L641 HydrophobicContact CG-CD1 3.7Å
584N81.3Confident89.6Confident126 Ų12656.1 Ų56.167%0.67429%0.287SS*.G310 helixtrans-121.513.3-178.6-61.8-50.5000113V582 R586V582-N584 PolarHBondContact O-N 3.31Å; V582-N584 VanDerWaalsContact O-N 3.1Å; N584-R586 PolarHBondContact O-N 3.27Å
585A84Confident89.6Confident19 Ų1956.3 Ų56.316%0.15729%0.289CS..  trans-63133.9-175.700000111.8I581 V582 T589 L590I581-A585 PolarHBondContact O-N 2.94Å; V582-A585 PolarHBondContact O-N 2.81Å; A585-T589 HydrophobicContact CB-CG2 4.06Å; A585-L590 HydrophobicContact CB-CB 4.22Å; A585-L590 HydrophobicContact CB-CD1 4.45Å
586R82.4Confident89.7Confident218 Ų21853 Ų5382%0.82327%0.274SS*.  trans-139.2155175.3-63-176.6-177-173.20.7109.4N584 E588N584-R586 PolarHBondContact O-N 3.27Å; R586-E588 PolarHBondContact O-N 2.92Å
587G85Confident89.8Confident50 Ų5053.9 Ų53.952%0.51528%0.278SS..THydrogen-bonded Turntrans57-131.2177.400000112.5T589 L590 E591G587-T589 VanDerWaalsContact C-N 3.31Å; G587-T589 PolarHBondContact O-N 2.92Å; G587-L590 WeakPolarHBondContact O-CB 3.4Å; G587-L590 PolarHBondContact O-N 3.33Å; G587-E591 PolarHBondContact O-N 3.02Å; G587-E591 VanDerWaalsContact O-N 3.14Å
588E84.3Confident89.7Confident123 Ų12353.9 Ų53.958%0.57528%0.278SS*.Hα-helixtrans-56.8-37.3-173.4-64.1176.3-175.700113.6R586 L590 E591 L592R586-E588 PolarHBondContact O-N 2.92Å; E588-L590 VanDerWaalsContact C-N 3.29Å; E588-L590 PolarHBondContact O-N 2.77Å; E588-E591 PolarHBondContact O-N 3.48Å; E588-L592 WeakPolarHBondContact O-CB 3.47Å; E588-L592 PolarHBondContact O-N 3.08Å
589T88.4Confident89.9Confident57 Ų5751.9 Ų51.935%0.3527%0.271SS..Hα-helixtrans-64.7-35.4178.7-47.70000112.2M576 I581 A585 G587 F593M576-T589 HydrophobicContact CE-CG2 4.42Å; I581-T589 HydrophobicContact CG2-CG2 3.79Å; A585-T589 HydrophobicContact CB-CG2 4.06Å; G587-T589 VanDerWaalsContact C-N 3.31Å; G587-T589 PolarHBondContact O-N 2.92Å; T589-F593 PolarHBondContact O-N 3.2Å
590L90.7Very high90.1Very high61 Ų6147.8 Ų47.832%0.31925%0.249SC..Hα-helixtrans-74.3-39.2177.2-177.364.7000110.9A585 G587 E588 L592 F593 H594A585-L590 HydrophobicContact CB-CB 4.22Å; A585-L590 HydrophobicContact CB-CD1 4.45Å; G587-L590 WeakPolarHBondContact O-CB 3.4Å; G587-L590 PolarHBondContact O-N 3.33Å; E588-L590 VanDerWaalsContact C-N 3.29Å; E588-L590 PolarHBondContact O-N 2.77Å; L590-L592 VanDerWaalsContact C-N 3.34Å; L590-F593 PolarHBondContact O-N 3.45Å; L590-H594 VanDerWaalsContact CG-CE1 3.49Å; L590-H594 WeakPolarHBondContact CG-CE1 3.48Å; L590-H594 PolarHBondContact O-N 2.88Å; L590-H594 PolarHBondContact O-ND1 3.02Å; L590-H594 VanDerWaalsContact O-ND1 3.14Å
591E91.1Very high90.3Very high85 Ų8547.8 Ų47.840%0.39724%0.243SC..Hα-helixtrans-63.1-40.4173.9-66.3-178.8172.900111.9M532 G587 E588 H594 S595M532-E591 HydrophobicContact CE-CB 3.67Å; G587-E591 PolarHBondContact O-N 3.02Å; G587-E591 VanDerWaalsContact O-N 3.14Å; E588-E591 PolarHBondContact O-N 3.48Å; E591-H594 PolarHBondContact O-N 3.42Å; E591-S595 WeakPolarHBondContact O-CB 3.21Å; E591-S595 PolarHBondContact O-N 3.32Å; E591-S595 PolarHBondContact O-OG 3.26Å
592L94.1Very high90.4Very high4 Ų446.3 Ų46.32%0.02124%0.236CC..Hα-helixtrans-58.2-50.9171.5172.969000111.1L517 L528 M532 F572 M576 E588 L590 H594 S595 V596L517-L592 HydrophobicContact CD2-CD2 3.58Å; L528-L592 HydrophobicContact CB-CD2 4.4Å; L528-L592 HydrophobicContact CD1-CD2 4.21Å; L528-L592 HydrophobicContact CD2-CD1 4.49Å; L528-L592 HydrophobicContact CD2-CD2 3.82Å; L528-L592 HydrophobicContact CG-CD2 4.36Å; M532-L592 HydrophobicContact CG-CB 4.03Å; M532-L592 HydrophobicContact CG-CD1 3.4Å; M532-L592 HydrophobicContact CG-CG 4.32Å; M532-L592 HydrophobicContact SD-CB 3.77Å; M532-L592 HydrophobicContact SD-CD1 4.11Å; F572-L592 HydrophobicContact CE1-CD2 4.34Å; F572-L592 HydrophobicContact CZ-CD2 4.39Å; M576-L592 HydrophobicContact CE-CD2 4.15Å; M576-L592 HydrophobicContact CE-CG 4.38Å; E588-L592 WeakPolarHBondContact O-CB 3.47Å; E588-L592 PolarHBondContact O-N 3.08Å; L590-L592 VanDerWaalsContact C-N 3.34Å; L592-H594 VanDerWaalsContact C-N 3.34Å; L592-H594 PolarHBondContact O-N 3.32Å; L592-S595 PolarHBondContact O-N 3.43Å; L592-V596 HydrophobicContact CD1-CG2 3.79Å; L592-V596 HydrophobicContact CG-CG2 4.39Å; L592-V596 WeakPolarHBondContact O-CG2 3.31Å; L592-V596 PolarHBondContact O-N 2.72Å
593F94.8Very high90.5Very high1 Ų145.6 Ų45.60%0.00423%0.231CC..Hα-helixtrans-55.6-49.5178.8176.7-101.4000111.2V573 M576 I577 V582 T589 L590 S595 V596 H597 Y645V573-F593 HydrophobicContact CG1-CE2 3.83Å; M576-F593 HydrophobicContact CE-CB 3.88Å; M576-F593 HydrophobicContact CE-CD2 4.27Å; M576-F593 HydrophobicContact SD-CD2 4.28Å; I577-F593 HydrophobicContact CD1-CE2 3.95Å; I577-F593 HydrophobicContact CD1-CZ 4.14Å; I577-F593 HydrophobicContact CG1-CE2 3.87Å; I577-F593 HydrophobicContact CG1-CZ 4.36Å; V582-F593 HydrophobicContact CG1-CD1 4.47Å; V582-F593 HydrophobicContact CG1-CD2 4.46Å; V582-F593 HydrophobicContact CG1-CE1 4.38Å; V582-F593 HydrophobicContact CG1-CE2 4.35Å; V582-F593 HydrophobicContact CG1-CZ 4.32Å; V582-F593 HydrophobicContact CG2-CD2 3.49Å; V582-F593 VanDerWaalsContact CG2-CD2 3.49Å; V582-F593 HydrophobicContact CG2-CE2 3.67Å; V582-F593 HydrophobicContact CG2-CG 4.09Å; V582-F593 HydrophobicContact CG2-CZ 4.43Å; T589-F593 PolarHBondContact O-N 3.2Å; L590-F593 PolarHBondContact O-N 3.45Å; F593-S595 VanDerWaalsContact C-N 3.33Å; F593-S595 PolarHBondContact O-N 3.1Å; F593-V596 PolarHBondContact O-N 3.41Å; F593-H597 HydrophobicContact CE1-CB 4.3Å; F593-H597 HydrophobicContact CE2-CB 4.43Å; F593-H597 HydrophobicContact CZ-CB 4.23Å; F593-H597 WeakPolarHBondContact O-CB 3.37Å; F593-H597 PolarHBondContact O-N 3.34Å; F593-Y645 AromaticContact CE1-CD1 3.88Å; F593-Y645 HydrophobicContact CE1-CD1 3.88Å; F593-Y645 HydrophobicContact CE1-CD2 4.3Å; F593-Y645 AromaticContact CE1-CE1 3.88Å; F593-Y645 HydrophobicContact CE1-CE1 3.88Å; F593-Y645 HydrophobicContact CE1-CE2 4.3Å; F593-Y645 HydrophobicContact CE1-CG 4.1Å; F593-Y645 AromaticContact CZ-CD1 3.94Å; F593-Y645 HydrophobicContact CZ-CD1 3.94Å; F593-Y645 AromaticContact CZ-CD2 3.97Å; F593-Y645 HydrophobicContact CZ-CD2 3.97Å; F593-Y645 HydrophobicContact CZ-CE1 4.37Å; F593-Y645 HydrophobicContact CZ-CE2 4.4Å; F593-Y645 AromaticContact CZ-CG 3.73Å; F593-Y645 HydrophobicContact CZ-CG 3.73Å
594H92.9Very high90.7Very high93 Ų9343.7 Ų43.743%0.43122%0.221SC..Hα-helixtrans-61.9-37.8178.9-66.1139.3000113.2L590 E591 L592 G598L590-H594 VanDerWaalsContact CG-CE1 3.49Å; L590-H594 WeakPolarHBondContact CG-CE1 3.48Å; L590-H594 PolarHBondContact O-N 2.88Å; L590-H594 PolarHBondContact O-ND1 3.02Å; L590-H594 VanDerWaalsContact O-ND1 3.14Å; E591-H594 PolarHBondContact O-N 3.42Å; L592-H594 VanDerWaalsContact C-N 3.34Å; L592-H594 PolarHBondContact O-N 3.32Å; H594-G598 WeakPolarHBondContact O-CA 3.47Å; H594-G598 PolarHBondContact O-N 3.32Å
595S94.1Very high90.9Very high7 Ų740.1 Ų40.15%0.04920%0.201CC..Hα-helixtrans-66-49.3179.2-55.60000111.3C535 E591 L592 F593 W599C535-S595 WeakPolarHBondContact CB-O 3.49Å; E591-S595 WeakPolarHBondContact O-CB 3.21Å; E591-S595 PolarHBondContact O-N 3.32Å; E591-S595 PolarHBondContact O-OG 3.26Å; L592-S595 PolarHBondContact O-N 3.43Å; F593-S595 VanDerWaalsContact C-N 3.33Å; F593-S595 PolarHBondContact O-N 3.1Å; S595-W599 PolarHBondContact O-N 3.42Å; S595-W599 VanDerWaalsContact O-N 3.15Å
596V95.8Very high91.1Very high0 Ų039.5 Ų39.50%020%0.195CC..Hα-helixtrans-72.9-44.6-177.8-177.30000111.3L531 L569 F572 V573 L592 F593 G598 W599 L600L531-V596 HydrophobicContact CD2-CG2 4.31Å; L531-V596 HydrophobicContact CG-CG2 4.38Å; L569-V596 HydrophobicContact CB-CG1 4.37Å; L569-V596 HydrophobicContact CD2-CB 4.49Å; L569-V596 HydrophobicContact CD2-CG1 3.47Å; L569-V596 VanDerWaalsContact CD2-CG1 3.47Å; L569-V596 HydrophobicContact CG-CG1 4.5Å; F572-V596 HydrophobicContact CD1-CG1 3.87Å; F572-V596 HydrophobicContact CD1-CG2 4.39Å; F572-V596 HydrophobicContact CE1-CG2 4.27Å; V573-V596 HydrophobicContact CG2-CB 4.19Å; V573-V596 HydrophobicContact CG2-CG1 3.5Å; L592-V596 HydrophobicContact CD1-CG2 3.79Å; L592-V596 HydrophobicContact CG-CG2 4.39Å; L592-V596 WeakPolarHBondContact O-CG2 3.31Å; L592-V596 PolarHBondContact O-N 2.72Å; F593-V596 PolarHBondContact O-N 3.41Å; V596-G598 VanDerWaalsContact C-N 3.35Å; V596-W599 PolarHBondContact O-N 2.94Å; V596-L600 WeakPolarHBondContact O-CB 3.5Å; V596-L600 PolarHBondContact O-N 3.33Å
597H95.2Very high91.4Very high19 Ų1929.8 Ų29.89%0.08816%0.159CC..Hα-helixtrans-60.8-44.9175.1173.3-103.6000111F593 W599 L600 M601 Y645F593-H597 HydrophobicContact CE1-CB 4.3Å; F593-H597 HydrophobicContact CE2-CB 4.43Å; F593-H597 HydrophobicContact CZ-CB 4.23Å; F593-H597 WeakPolarHBondContact O-CB 3.37Å; F593-H597 PolarHBondContact O-N 3.34Å; H597-W599 VanDerWaalsContact C-N 3.31Å; H597-W599 PolarHBondContact O-N 2.87Å; H597-L600 WeakPolarHBondContact O-CB 3.37Å; H597-L600 PolarHBondContact O-N 3.05Å; H597-M601 VanDerWaalsContact CE1-CG 3.48Å; H597-M601 WeakPolarHBondContact CE1-CG 3.4Å; H597-M601 WeakPolarHBondContact NE2-CG 3.29Å; H597-M601 WeakPolarHBondContact O-CG 3.5Å; H597-M601 PolarHBondContact O-N 3Å; H597-Y645 AromaticContact CE1-CD1 3.78Å; H597-Y645 AromaticContact NE2-CD1 3.92Å; H597-Y645 PolarHBondContact NE2-O 3.1Å
598G92.9Very high91.4Very high0 Ų029.4 Ų29.40%015%0.148CC..Hα-helixtrans-62.9-38.9179.700000112.7H594 V596 V602H594-G598 WeakPolarHBondContact O-CA 3.47Å; H594-G598 PolarHBondContact O-N 3.32Å; V596-G598 VanDerWaalsContact C-N 3.35Å; G598-V602 WeakPolarHBondContact O-CG2 3.3Å; G598-V602 PolarHBondContact O-N 3.14Å
599W94.5Very high91.3Very high0 Ų026.8 Ų26.80%013%0.132CC..Hα-helixtrans-69.2-40.5175.7-174.2-148.3000112.4C535 R539 I542 L562 L569 S595 V596 H597 M601 V602 L603C535-W599 HydrophobicContact CB-CB 3.96Å; C535-W599 HydrophobicContact CB-CG 4.39Å; R539-W599 VanDerWaalsContact CA-CE3 3.4Å; R539-W599 HydrophobicContact CB-CB 4.3Å; R539-W599 HydrophobicContact CB-CD2 4.32Å; R539-W599 HydrophobicContact CB-CE3 3.81Å; R539-W599 HydrophobicContact CG-CE3 4.38Å; I542-W599 HydrophobicContact CB-CH2 3.6Å; I542-W599 HydrophobicContact CB-CZ3 3.6Å; I542-W599 HydrophobicContact CD1-CH2 4.23Å; I542-W599 HydrophobicContact CG1-CH2 3.42Å; I542-W599 VanDerWaalsContact CG1-CH2 3.42Å; I542-W599 HydrophobicContact CG1-CZ2 4.3Å; I542-W599 HydrophobicContact CG1-CZ3 3.97Å; I542-W599 HydrophobicContact CG2-CH2 3.81Å; I542-W599 HydrophobicContact CG2-CZ3 3.75Å; L562-W599 HydrophobicContact CD2-CZ2 4.37Å; L569-W599 HydrophobicContact CD1-CB 4.2Å; L569-W599 HydrophobicContact CD1-CG 3.83Å; S595-W599 PolarHBondContact O-N 3.42Å; S595-W599 VanDerWaalsContact O-N 3.15Å; V596-W599 PolarHBondContact O-N 2.94Å; H597-W599 VanDerWaalsContact C-N 3.31Å; H597-W599 PolarHBondContact O-N 2.87Å; W599-M601 VanDerWaalsContact C-N 3.35Å; W599-M601 PolarHBondContact O-N 3.12Å; W599-V602 HydrophobicContact CE3-CB 4.03Å; W599-V602 HydrophobicContact CE3-CG1 4.19Å; W599-V602 HydrophobicContact CZ3-CB 4.08Å; W599-V602 HydrophobicContact CZ3-CG1 3.74Å; W599-V602 PolarHBondContact O-N 2.92Å; W599-L603 HydrophobicContact CD2-CD1 4.32Å; W599-L603 HydrophobicContact CD2-CG 4.27Å; W599-L603 HydrophobicContact CE3-CG 4.2Å; W599-L603 HydrophobicContact CH2-CD1 4.21Å; W599-L603 HydrophobicContact CH2-CD2 3.31Å; W599-L603 HydrophobicContact CH2-CG 3.68Å; W599-L603 HydrophobicContact CZ2-CD1 3.83Å; W599-L603 HydrophobicContact CZ2-CD2 3.68Å; W599-L603 HydrophobicContact CZ2-CG 3.84Å; W599-L603 HydrophobicContact CZ3-CD2 3.91Å; W599-L603 HydrophobicContact CZ3-CG 3.91Å; W599-L603 PolarHBondContact O-N 3.16Å
600L95.9Very high91.1Very high0 Ų028.8 Ų28.80%013%0.134CC..Hα-helixtrans-57-46.7174.1176.764.1000112.1L569 N570 V573 V596 H597 L603 Y604 W618 I646L569-L600 HydrophobicContact CB-CB 4.09Å; L569-L600 HydrophobicContact CB-CD1 3.96Å; N570-L600 HydrophobicContact CB-CD1 3.79Å; V573-L600 HydrophobicContact CB-CD2 3.97Å; V573-L600 HydrophobicContact CG1-CD2 4.27Å; V573-L600 HydrophobicContact CG2-CD2 3.97Å; V596-L600 WeakPolarHBondContact O-CB 3.5Å; V596-L600 PolarHBondContact O-N 3.33Å; H597-L600 WeakPolarHBondContact O-CB 3.37Å; H597-L600 PolarHBondContact O-N 3.05Å; L600-L603 PolarHBondContact O-N 3.15Å; L600-Y604 PolarHBondContact O-N 3.47Å; L600-W618 HydrophobicContact CD1-CE3 4.46Å; L600-W618 HydrophobicContact CD1-CZ3 3.67Å; L600-I646 HydrophobicContact CD2-CG2 3.87Å
601M91.9Very high91Very high22 Ų2233 Ų3311%0.10815%0.145CC..Hα-helixtrans-69.3-37.7-176.6-67.5-48.3-60.700112.5H597 W599 L603 Y604 E605 F814H597-M601 VanDerWaalsContact CE1-CG 3.48Å; H597-M601 WeakPolarHBondContact CE1-CG 3.4Å; H597-M601 WeakPolarHBondContact NE2-CG 3.29Å; H597-M601 WeakPolarHBondContact O-CG 3.5Å; H597-M601 PolarHBondContact O-N 3Å; W599-M601 VanDerWaalsContact C-N 3.35Å; W599-M601 PolarHBondContact O-N 3.12Å; M601-L603 VanDerWaalsContact C-N 3.31Å; M601-L603 PolarHBondContact O-N 2.92Å; M601-Y604 HydrophobicContact CE-CD1 3.76Å; M601-Y604 HydrophobicContact CE-CE1 4.45Å; M601-Y604 PolarHBondContact O-N 3.42Å; M601-E605 WeakPolarHBondContact O-CB 3.4Å; M601-E605 WeakPolarHBondContact O-CG 3.4Å; M601-E605 PolarHBondContact O-N 3.36Å; M601-F814 HydrophobicContact CB-CD2 3.82Å; M601-F814 HydrophobicContact CB-CE2 3.95Å; M601-F814 HydrophobicContact CB-CG 4.32Å; M601-F814 HydrophobicContact CG-CE2 4.3Å
602V90.9Very high91.1Very high6 Ų630.5 Ų30.54%0.03613%0.133CC..Hα-helixtrans-60.4-42.4173.7170.60000111.2R539 I542 G598 W599 R606 F814R539-V602 HydrophobicContact CG-CG2 3.95Å; I542-V602 HydrophobicContact CG2-CG1 3.91Å; G598-V602 WeakPolarHBondContact O-CG2 3.3Å; G598-V602 PolarHBondContact O-N 3.14Å; W599-V602 HydrophobicContact CE3-CB 4.03Å; W599-V602 HydrophobicContact CE3-CG1 4.19Å; W599-V602 HydrophobicContact CZ3-CB 4.08Å; W599-V602 HydrophobicContact CZ3-CG1 3.74Å; W599-V602 PolarHBondContact O-N 2.92Å; V602-R606 WeakPolarHBondContact O-CB 3.26Å; V602-R606 WeakPolarHBondContact O-CG 3.47Å; V602-R606 PolarHBondContact O-N 3.5Å; V602-F814 HydrophobicContact CG2-CB 3.97Å; V602-F814 HydrophobicContact CG2-CD1 3.65Å; V602-F814 HydrophobicContact CG2-CG 4.1Å
603L92.8Very high91Very high1 Ų130.6 Ų30.61%0.00513%0.134CC..Hα-helixtrans-65-41.6175.7-69.4177.4000112.4L562 I565 L569 W599 L600 M601 R606 D607 F612 W618L562-L603 HydrophobicContact CB-CD2 4.41Å; L562-L603 HydrophobicContact CD1-CD2 4.47Å; L562-L603 HydrophobicContact CD2-CD2 4.05Å; I565-L603 HydrophobicContact CG2-CD1 3.95Å; L569-L603 HydrophobicContact CD1-CD1 4.07Å; W599-L603 HydrophobicContact CD2-CD1 4.32Å; W599-L603 HydrophobicContact CD2-CG 4.27Å; W599-L603 HydrophobicContact CE3-CG 4.2Å; W599-L603 HydrophobicContact CH2-CD1 4.21Å; W599-L603 HydrophobicContact CH2-CD2 3.31Å; W599-L603 HydrophobicContact CH2-CG 3.68Å; W599-L603 HydrophobicContact CZ2-CD1 3.83Å; W599-L603 HydrophobicContact CZ2-CD2 3.68Å; W599-L603 HydrophobicContact CZ2-CG 3.84Å; W599-L603 HydrophobicContact CZ3-CD2 3.91Å; W599-L603 HydrophobicContact CZ3-CG 3.91Å; W599-L603 PolarHBondContact O-N 3.16Å; L600-L603 PolarHBondContact O-N 3.15Å; M601-L603 VanDerWaalsContact C-N 3.31Å; M601-L603 PolarHBondContact O-N 2.92Å; L603-R606 PolarHBondContact O-N 3.08Å; L603-D607 WeakPolarHBondContact O-CB 3.38Å; L603-D607 PolarHBondContact O-N 2.92Å; L603-F612 HydrophobicContact CD2-CZ 4.43Å; L603-W618 HydrophobicContact CB-CH2 4.08Å
604Y91.8Very high90.9Very high25 Ų2534.1 Ų34.110%0.09816%0.157CC..Hα-helixtrans-65.4-45178.2175.5-110.8000112.4L600 M601 R606 D607 C608 W618 H648L600-Y604 PolarHBondContact O-N 3.47Å; M601-Y604 HydrophobicContact CE-CD1 3.76Å; M601-Y604 HydrophobicContact CE-CE1 4.45Å; M601-Y604 PolarHBondContact O-N 3.42Å; Y604-R606 VanDerWaalsContact C-N 3.32Å; Y604-R606 PolarHBondContact O-N 3.01Å; Y604-D607 PolarHBondContact O-N 3.45Å; Y604-C608 VanDerWaalsContact CE2-SG 3.52Å; Y604-C608 PolarHBondContact O-N 3.25Å; Y604-C608 PolarHBondContact O-SG 2.82Å; Y604-W618 AromaticContact CD2-CD2 3.7Å; Y604-W618 HydrophobicContact CD2-CD2 3.7Å; Y604-W618 AromaticContact CD2-CE2 3.8Å; Y604-W618 HydrophobicContact CD2-CE3 4.05Å; Y604-W618 HydrophobicContact CD2-CG 4.01Å; Y604-W618 HydrophobicContact CD2-CZ2 4.23Å; Y604-W618 HydrophobicContact CD2-CZ3 4.44Å; Y604-W618 HydrophobicContact CE2-CD2 4.4Å; Y604-W618 HydrophobicContact CE2-CG 4.23Å; Y604-H648 HydrophobicContact CD1-CB 4.46Å; Y604-H648 HydrophobicContact CD2-CB 4.04Å; Y604-H648 HydrophobicContact CE1-CB 3.91Å; Y604-H648 HydrophobicContact CE2-CB 3.44Å; Y604-H648 VanDerWaalsContact CE2-CB 3.44Å; Y604-H648 AromaticContact CE2-CG 3.96Å
605E86.2Confident90.7Very high51 Ų5135.2 Ų35.224%0.23817%0.167CC..Hα-helixtrans-63-40.3177.3-73.5178.8-177.700111M601 C608 R609 F814M601-E605 WeakPolarHBondContact O-CB 3.4Å; M601-E605 WeakPolarHBondContact O-CG 3.4Å; M601-E605 PolarHBondContact O-N 3.36Å; E605-C608 PolarHBondContact O-N 3.22Å; E605-R609 PolarHBondContact O-N 2.83Å; E605-F814 VanDerWaalsContact OE2-CB 3.24Å; E605-F814 WeakPolarHBondContact OE2-CB 3.4Å
606R86.9Confident90.5Very high7 Ų740.4 Ų40.43%0.02619%0.194CC..Hα-helixtrans-62.8-44.8173.1-79.3-166168.2-132.8-7.8112.8I542 L545 Y551 V602 L603 Y604 C608 R609 R610 F612 D819I542-R606 PolarHBondContact O-NH2 3.34Å; L545-R606 PolarHBondContact O-NH2 3.13Å; Y551-R606 PolarHBondContact OH-O 3.11Å; V602-R606 WeakPolarHBondContact O-CB 3.26Å; V602-R606 WeakPolarHBondContact O-CG 3.47Å; V602-R606 PolarHBondContact O-N 3.5Å; L603-R606 PolarHBondContact O-N 3.08Å; Y604-R606 VanDerWaalsContact C-N 3.32Å; Y604-R606 PolarHBondContact O-N 3.01Å; R606-C608 VanDerWaalsContact C-N 3.33Å; R606-C608 PolarHBondContact O-N 2.77Å; R606-R609 PolarHBondContact O-N 3.02Å; R606-R610 PolarHBondContact O-N 3.44Å; R606-F612 HydrophobicContact CB-CE1 4.46Å; R606-D819 IonicContact CZ-OD2 3.97Å; R606-D819 IonicContact NE-OD2 2.7Å; R606-D819 IonicContact NH2-OD1 2.94Å; R606-D819 IonicContact NH2-OD2 3.54Å; R606-D819 PolarHBondContact NH2-OD2 3.42Å
607D90.4Very high90.3Very high13 Ų1342 Ų427%0.0720%0.201CC..Hα-helixtrans-64.7-37.2177.2-170.362.4000112.4L603 Y604 R609 R610 R611 F612 A613 W618L603-D607 WeakPolarHBondContact O-CB 3.38Å; L603-D607 PolarHBondContact O-N 2.92Å; Y604-D607 PolarHBondContact O-N 3.45Å; D607-R609 PolarHBondContact O-N 3.06Å; D607-R610 CarbonylContact O-C 3.53Å; D607-R611 WeakPolarHBondContact O-CA 3.14Å; D607-R611 PolarHBondContact O-N 3.49Å; D607-R611 WeakPolarHBondContact OD1-CA 3.31Å; D607-F612 HydrophobicContact CB-CD1 3.98Å; D607-F612 HydrophobicContact CB-CE1 3.57Å; D607-F612 HydrophobicContact CB-CZ 4.17Å; D607-F612 WeakPolarHBondContact OD1-CD1 3.31Å; D607-F612 PolarHBondContact OD1-N 3.04Å; D607-A613 WeakPolarHBondContact OD1-CB 3.27Å; D607-A613 PolarHBondContact OD1-N 2.95Å; D607-W618 HydrophobicContact CB-CZ2 3.81Å; D607-W618 PolarHBondContact OD2-NE1 3.15Å
608C84.9Confident90.3Very high42 Ų4242 Ų4228%0.28420%0.201SC..Hα-helixtrans-61.4-32.8175.5-73.70000112.9Y604 E605 R606Y604-C608 VanDerWaalsContact CE2-SG 3.52Å; Y604-C608 PolarHBondContact O-N 3.25Å; Y604-C608 PolarHBondContact O-SG 2.82Å; E605-C608 PolarHBondContact O-N 3.22Å; R606-C608 VanDerWaalsContact C-N 3.33Å; R606-C608 PolarHBondContact O-N 2.77Å
609R80.6Confident90.3Very high68 Ų6844.4 Ų44.426%0.25721%0.213SC..Hα-helixtrans-84.7-50.2-179.4-174.3174.759.395.916.8111.8D547 E605 R606 D607 D819D547-R609 IonicContact OD1-CZ 3.77Å; D547-R609 IonicContact OD1-NH1 2.91Å; D547-R609 PolarHBondContact OD1-NH1 3.18Å; D547-R609 IonicContact OD1-NH2 2.82Å; D547-R609 PolarHBondContact OD1-NH2 3.47Å; D547-R609 IonicContact OD2-CZ 3.76Å; D547-R609 IonicContact OD2-NH1 3.38Å; D547-R609 PolarHBondContact OD2-NH1 2.83Å; D547-R609 IonicContact OD2-NH2 2.94Å; E605-R609 PolarHBondContact O-N 2.83Å; R606-R609 PolarHBondContact O-N 3.02Å; D607-R609 PolarHBondContact O-N 3.06Å; R609-D819 PolarHBondContact NH1-O 3.26Å
610R85.7Confident90.1Very high99 Ų9946.7 Ų46.737%0.37422%0.221SC..SBendtrans-135.5107.6174.5-178.3175.4-179.6179.22.9109.1Y551 E552 R606 D607 F612Y551-R610 HydrophobicContact CD1-CG 4.03Å; Y551-R610 HydrophobicContact CE1-CB 3.92Å; Y551-R610 HydrophobicContact CE1-CG 3.83Å; Y551-R610 VanDerWaalsContact CE1-O 3.31Å; Y551-R610 WeakPolarHBondContact CE1-O 3.47Å; Y551-R610 HydrophobicContact CE2-CB 4.16Å; Y551-R610 HydrophobicContact CE2-CG 4.47Å; Y551-R610 HydrophobicContact CG-CG 4.41Å; Y551-R610 PolarHBondContact OH-O 3.41Å; E552-R610 IonicContact OE1-NH1 2.69Å; E552-R610 IonicContact OE1-NH2 3.68Å; R606-R610 PolarHBondContact O-N 3.44Å; D607-R610 CarbonylContact O-C 3.53Å; R610-F612 PolarHBondContact O-N 2.71Å
611R88.6Confident89.5Confident150 Ų15056 Ų5657%0.56626%0.262SS*.  trans-63.6127.2-173.5-160.8179.1-169.8179.39.2111.9D607 A613 D615D607-R611 WeakPolarHBondContact O-CA 3.14Å; D607-R611 PolarHBondContact O-N 3.49Å; D607-R611 WeakPolarHBondContact OD1-CA 3.31Å; R611-A613 PolarHBondContact NE-O 3.25Å; R611-D615 IonicContact CZ-OD1 2.8Å; R611-D615 IonicContact NH1-OD1 4Å; R611-D615 PolarHBondContact NH1-OD1 3.06Å; R611-D615 VanDerWaalsContact NH2-CA 3.31Å; R611-D615 IonicContact NH2-OD1 3.32Å; R611-D615 PolarHBondContact NH2-OD1 3.06Å
612F92.4Very high89Confident32 Ų3260.2 Ų60.214%0.1429%0.285CS..  trans-130.7-18.8171.468.1-91.1000112.4Y551 L559 L562 V563 L603 R606 D607 R610Y551-F612 HydrophobicContact CE1-CB 4.36Å; Y551-F612 AromaticContact CE1-CD1 3.96Å; Y551-F612 HydrophobicContact CE1-CD1 3.96Å; L559-F612 HydrophobicContact CD1-CB 4.32Å; L559-F612 HydrophobicContact CD2-CB 4.04Å; L559-F612 HydrophobicContact CD2-CG 4.31Å; L562-F612 HydrophobicContact CB-CD2 4.35Å; L562-F612 HydrophobicContact CB-CE2 3.72Å; L562-F612 HydrophobicContact CB-CZ 4.29Å; V563-F612 HydrophobicContact CG2-CD2 3.85Å; V563-F612 HydrophobicContact CG2-CE2 4.11Å; L603-F612 HydrophobicContact CD2-CZ 4.43Å; R606-F612 HydrophobicContact CB-CE1 4.46Å; D607-F612 HydrophobicContact CB-CD1 3.98Å; D607-F612 HydrophobicContact CB-CE1 3.57Å; D607-F612 HydrophobicContact CB-CZ 4.17Å; D607-F612 WeakPolarHBondContact OD1-CD1 3.31Å; D607-F612 PolarHBondContact OD1-N 3.04Å; R610-F612 PolarHBondContact O-N 2.71Å
613A92.6Very high88.8Confident6 Ų660.7 Ų60.75%0.0529%0.287CS..SBendtrans-86.7149.4176.400000112.2V563 D607 R611 H617V563-A613 HydrophobicContact CG2-CB 4.42Å; D607-A613 WeakPolarHBondContact OD1-CB 3.27Å; D607-A613 PolarHBondContact OD1-N 2.95Å; R611-A613 PolarHBondContact NE-O 3.25Å; A613-H617 HydrophobicContact CB-CB 4.01Å
614P92.2Very high88.5Confident75 Ų7567.4 Ų67.449%0.48732%0.316SS..PPolyproline II helixtrans-67.5167.8177.426.9-32.1000112.7H617P614-H617 HydrophobicContact CG-CB 4.09Å; P614-H617 VanDerWaalsContact O-CB 3.28Å; P614-H617 WeakPolarHBondContact O-CB 3.42Å; P614-H617 PolarHBondContact O-N 3.3Å
615D87.9Confident88.2Confident117 Ų11768.4 Ų68.463%0.62633%0.326SS*.THydrogen-bonded Turntrans-54.5142.1171.4-65.6-56000111.7R611 H617R611-D615 IonicContact CZ-OD1 2.8Å; R611-D615 IonicContact NH1-OD1 4Å; R611-D615 PolarHBondContact NH1-OD1 3.06Å; R611-D615 VanDerWaalsContact NH2-CA 3.31Å; R611-D615 IonicContact NH2-OD1 3.32Å; R611-D615 PolarHBondContact NH2-OD1 3.06Å; D615-H617 PolarHBondContact O-N 3.17Å
616D89.6Confident88.2Confident116 Ų11669.8 Ų69.862%0.6234%0.341SS*.THydrogen-bonded Turntrans59.66.4179.9-57.1-31.3000117W618 L619D616-W618 PolarHBondContact O-N 3.05Å; D616-L619 HydrophobicContact CB-CD1 3.93Å; D616-L619 HydrophobicContact CB-CG 4.37Å; D616-L619 WeakPolarHBondContact O-CB 3.4Å; D616-L619 PolarHBondContact O-N 3.23Å; D616-L619 VanDerWaalsContact OD1-CD1 3.28Å; D616-L619 WeakPolarHBondContact OD1-CD1 3.46Å
617H93.1Very high88.4Confident32 Ų3272 Ų7215%0.14836%0.356CS..THydrogen-bonded Turntrans-51.2-41.9-180178.270.6000113.9V563 S566 A613 P614 D615 L619V563-H617 PolarHBondContact O-CE1 3.32Å; S566-H617 PolarHBondContact OG-NE2 3.37Å; A613-H617 HydrophobicContact CB-CB 4.01Å; P614-H617 HydrophobicContact CG-CB 4.09Å; P614-H617 VanDerWaalsContact O-CB 3.28Å; P614-H617 WeakPolarHBondContact O-CB 3.42Å; P614-H617 PolarHBondContact O-N 3.3Å; D615-H617 PolarHBondContact O-N 3.17Å; H617-L619 VanDerWaalsContact C-N 3.33Å; H617-L619 PolarHBondContact O-N 3.25Å
618W94.3Very high88.3Confident21 Ų2171.5 Ų71.58%0.0835%0.353CS..THydrogen-bonded Turntrans-78.4-16.4-176.6-63110.3000113.4N570 L600 L603 Y604 D607 D616 H648 V649N570-W618 PolarHBondContact ND2-O 3.49Å; L600-W618 HydrophobicContact CD1-CE3 4.46Å; L600-W618 HydrophobicContact CD1-CZ3 3.67Å; L603-W618 HydrophobicContact CB-CH2 4.08Å; Y604-W618 AromaticContact CD2-CD2 3.7Å; Y604-W618 HydrophobicContact CD2-CD2 3.7Å; Y604-W618 AromaticContact CD2-CE2 3.8Å; Y604-W618 HydrophobicContact CD2-CE3 4.05Å; Y604-W618 HydrophobicContact CD2-CG 4.01Å; Y604-W618 HydrophobicContact CD2-CZ2 4.23Å; Y604-W618 HydrophobicContact CD2-CZ3 4.44Å; Y604-W618 HydrophobicContact CE2-CD2 4.4Å; Y604-W618 HydrophobicContact CE2-CG 4.23Å; D607-W618 HydrophobicContact CB-CZ2 3.81Å; D607-W618 PolarHBondContact OD2-NE1 3.15Å; D616-W618 PolarHBondContact O-N 3.05Å; W618-H648 AromaticContact CE3-CD2 3.94Å; W618-V649 WeakPolarHBondContact O-CA 3.5Å
619L93.1Very high88.4Confident49 Ų4971.8 Ų71.826%0.25735%0.349SS..  trans-80.6142.4-174.4-57.4-177.1000112.2D616 H617 P651D616-L619 HydrophobicContact CB-CD1 3.93Å; D616-L619 HydrophobicContact CB-CG 4.37Å; D616-L619 WeakPolarHBondContact O-CB 3.4Å; D616-L619 PolarHBondContact O-N 3.23Å; D616-L619 VanDerWaalsContact OD1-CD1 3.28Å; D616-L619 WeakPolarHBondContact OD1-CD1 3.46Å; H617-L619 VanDerWaalsContact C-N 3.33Å; H617-L619 PolarHBondContact O-N 3.25Å; L619-P651 HydrophobicContact CD1-CG 4.34Å; L619-P651 HydrophobicContact CD2-CG 4.3Å
620R91.4Very high88.8Confident48 Ų4873.3 Ų73.318%0.18136%0.359CS..  trans-97.6107.6175.2-68-55.6-50.6-179.9-0.3111.4S571 F574 D622 L623 V649S571-R620 PolarHBondContact OG-NH1 2.89Å; F574-R620 HydrophobicContact CB-CG 4.37Å; F574-R620 HydrophobicContact CD1-CG 4.4Å; F574-R620 HydrophobicContact CD2-CG 3.99Å; F574-R620 HydrophobicContact CE2-CB 4.49Å; F574-R620 HydrophobicContact CE2-CG 4.42Å; F574-R620 HydrophobicContact CG-CG 3.99Å; R620-D622 IonicContact CZ-OD2 2.74Å; R620-D622 IonicContact NE-OD2 3.75Å; R620-D622 IonicContact NH2-OD2 3.82Å; R620-D622 PolarHBondContact NH2-OD2 3.09Å; R620-D622 PolarHBondContact O-N 3.49Å; R620-L623 HydrophobicContact CB-CB 4.27Å; R620-L623 PolarHBondContact O-N 3.28Å; R620-L623 VanDerWaalsContact O-N 3.16Å; R620-V649 HydrophobicContact CB-CB 4.27Å; R620-V649 HydrophobicContact CG-CB 3.69Å; R620-V649 HydrophobicContact CG-CG1 3.81Å; R620-V649 PolarHBondContact N-O 3.42Å; R620-V649 VanDerWaalsContact N-O 3.16Å
621K83.1Confident89Confident197 Ų19769.6 Ų69.686%0.85735%0.346SS*.THydrogen-bonded Turntrans-61.1-27.8177.3-61.4-175.2-178.2-178.70113.3L623K621-L623 VanDerWaalsContact C-N 3.27Å; K621-L623 PolarHBondContact O-N 3.14Å
622D80.2Confident88.9Confident109 Ų10963.7 Ų63.758%0.58333%0.326SS*.THydrogen-bonded Turntrans-74.1-17.4-179.4-48.6-41.5000113R620R620-D622 IonicContact CZ-OD2 2.74Å; R620-D622 IonicContact NE-OD2 3.75Å; R620-D622 IonicContact NH2-OD2 3.82Å; R620-D622 PolarHBondContact NH2-OD2 3.09Å; R620-D622 PolarHBondContact O-N 3.49Å
623L86.5Confident88.7Confident16 Ų1667 Ų678%0.08435%0.345CS..  trans-95.9101.8-176.8-177.165000110.9F574 W578 R620 K621 L628 L642 V649 I650F574-L623 HydrophobicContact CE2-CB 4.29Å; F574-L623 HydrophobicContact CE2-CD2 4.29Å; F574-L623 HydrophobicContact CZ-CB 4.26Å; W578-L623 HydrophobicContact CE3-CD1 4.14Å; W578-L623 HydrophobicContact CH2-CD1 3.38Å; W578-L623 HydrophobicContact CZ2-CD1 3.94Å; W578-L623 HydrophobicContact CZ3-CD1 3.5Å; W578-L623 VanDerWaalsContact CZ3-CD1 3.5Å; R620-L623 HydrophobicContact CB-CB 4.27Å; R620-L623 PolarHBondContact O-N 3.28Å; R620-L623 VanDerWaalsContact O-N 3.16Å; K621-L623 VanDerWaalsContact C-N 3.27Å; K621-L623 PolarHBondContact O-N 3.14Å; L623-L628 HydrophobicContact CD1-CB 4.3Å; L623-L628 HydrophobicContact CD2-CD2 4.44Å; L623-L642 HydrophobicContact CD2-CD1 3.91Å; L623-L642 HydrophobicContact CD2-CD2 4.41Å; L623-V649 HydrophobicContact CD2-CG2 4.45Å; L623-I650 HydrophobicContact CD2-CG1 4.11Å
624K87.8Confident88.5Confident142 Ų14272.2 Ų72.262%0.61737%0.367SS*.  trans-73.3129171.6-68.2-174.7-178.8-179.40110.3S626 V627 L628K624-S626 VanDerWaalsContact C-N 3.25Å; K624-S626 PolarHBondContact O-N 2.93Å; K624-V627 HydrophobicContact CB-CB 4.46Å; K624-V627 HydrophobicContact CB-CG2 4Å; K624-V627 PolarHBondContact O-N 3Å; K624-L628 PolarHBondContact O-N 3.42Å
625P85.1Confident88.3Confident46 Ų4674.5 Ų74.530%0.29937%0.374SS..Hα-helixtrans-57.3-35.5-179.8-2735.2000114V627 L628 F629 N654P625-V627 VanDerWaalsContact C-N 3.34Å; P625-V627 PolarHBondContact O-N 2.93Å; P625-L628 PolarHBondContact O-N 3.44Å; P625-F629 HydrophobicContact CB-CE2 4.43Å; P625-F629 HydrophobicContact CB-CZ 4.48Å; P625-F629 WeakPolarHBondContact O-CD2 3.43Å; P625-F629 VanDerWaalsContact O-CG 3.25Å; P625-F629 WeakPolarHBondContact O-CG 3.18Å; P625-F629 PolarHBondContact O-N 3.24Å; P625-N654 WeakPolarHBondContact CB-ND2 3.2Å; P625-N654 WeakPolarHBondContact CG-ND2 2.92Å
626S86.9Confident88.5Confident81 Ų8173.8 Ų73.857%0.56637%0.366SS*.Hα-helixtrans-62.3-39.117751.50000113K624 F629 Q630K624-S626 VanDerWaalsContact C-N 3.25Å; K624-S626 PolarHBondContact O-N 2.93Å; S626-F629 PolarHBondContact O-N 3.08Å; S626-Q630 WeakPolarHBondContact O-CB 3.5Å; S626-Q630 PolarHBondContact O-N 3.26Å
627V89.4Confident88.5Confident54 Ų5474 Ų7433%0.32736%0.362SS..Hα-helixtrans-68-43.7176.9178.50000109.8W578 K624 P625 F629 Q630 E631W578-V627 HydrophobicContact CH2-CG1 4.28Å; W578-V627 HydrophobicContact CZ2-CG1 4.2Å; K624-V627 HydrophobicContact CB-CB 4.46Å; K624-V627 HydrophobicContact CB-CG2 4Å; K624-V627 PolarHBondContact O-N 3Å; P625-V627 VanDerWaalsContact C-N 3.34Å; P625-V627 PolarHBondContact O-N 2.93Å; V627-F629 PolarHBondContact O-N 2.8Å; V627-Q630 PolarHBondContact O-N 3.15Å; V627-E631 HydrophobicContact CG1-CG 4.37Å; V627-E631 VanDerWaalsContact O-CG 3.24Å; V627-E631 WeakPolarHBondContact O-CG 3.46Å; V627-E631 PolarHBondContact O-N 3.34Å
628L88.2Confident88.4Confident1 Ų175.9 Ų75.91%0.00537%0.367CS..Hα-helixtrans-58.3-47.2175.9179.569.2000111.6W578 L623 K624 P625 Q630 E631 L632 A639 I650 L658W578-L628 HydrophobicContact CZ3-CD1 4.5Å; L623-L628 HydrophobicContact CD1-CB 4.3Å; L623-L628 HydrophobicContact CD2-CD2 4.44Å; K624-L628 PolarHBondContact O-N 3.42Å; P625-L628 PolarHBondContact O-N 3.44Å; L628-Q630 PolarHBondContact O-N 3.43Å; L628-E631 PolarHBondContact O-N 3.09Å; L628-L632 HydrophobicContact CD1-CD1 4.35Å; L628-L632 HydrophobicContact CG-CD1 4.02Å; L628-L632 WeakPolarHBondContact O-CG 3.2Å; L628-L632 PolarHBondContact O-N 2.98Å; L628-A639 HydrophobicContact CD1-CB 4.02Å; L628-I650 HydrophobicContact CD2-CD1 3.4Å; L628-I650 HydrophobicContact CD2-CG1 3.79Å; L628-I650 HydrophobicContact CD2-CG2 4.32Å; L628-L658 HydrophobicContact CD2-CD1 4.36Å
629F87.1Confident88.2Confident48 Ų4874.9 Ų74.921%0.21136%0.363CS..Hα-helixtrans-62.4-42.9179.1-63.1-17.8000111.9P625 S626 V627 E631 L632 D633 N654 L658P625-F629 HydrophobicContact CB-CE2 4.43Å; P625-F629 HydrophobicContact CB-CZ 4.48Å; P625-F629 WeakPolarHBondContact O-CD2 3.43Å; P625-F629 VanDerWaalsContact O-CG 3.25Å; P625-F629 WeakPolarHBondContact O-CG 3.18Å; P625-F629 PolarHBondContact O-N 3.24Å; S626-F629 PolarHBondContact O-N 3.08Å; V627-F629 PolarHBondContact O-N 2.8Å; F629-E631 VanDerWaalsContact C-N 3.33Å; F629-E631 PolarHBondContact O-N 3.14Å; F629-L632 PolarHBondContact O-N 3.08Å; F629-D633 PolarHBondContact O-N 3.15Å; F629-N654 HydrophobicContact CZ-CB 4.27Å; F629-L658 HydrophobicContact CD1-CD1 4.34Å; F629-L658 HydrophobicContact CD1-CD2 3.33Å; F629-L658 HydrophobicContact CD1-CG 3.92Å; F629-L658 HydrophobicContact CE1-CD1 3.72Å; F629-L658 HydrophobicContact CE1-CD2 3.24Å; F629-L658 HydrophobicContact CE1-CG 3.27Å; F629-L658 HydrophobicContact CG-CD2 4.43Å; F629-L658 HydrophobicContact CZ-CD2 4.25Å; F629-L658 HydrophobicContact CZ-CG 4.08Å
630Q88.9Confident88.1Confident101 Ų10176.7 Ų76.747%0.47237%0.371SS..Hα-helixtrans-62.2-39.2176.2-170.5-176.222.600112.6S626 V627 L628 K634S626-Q630 WeakPolarHBondContact O-CB 3.5Å; S626-Q630 PolarHBondContact O-N 3.26Å; V627-Q630 PolarHBondContact O-N 3.15Å; L628-Q630 PolarHBondContact O-N 3.43Å; Q630-K634 HydrophobicContact CG-CD 4.45Å; Q630-K634 VanDerWaalsContact O-CG 3.3Å; Q630-K634 WeakPolarHBondContact O-CG 3.22Å; Q630-K634 PolarHBondContact O-N 2.78Å
631E90.3Very high88.1Confident20 Ų2075.8 Ų75.89%0.09337%0.369CS..Hα-helixtrans-69.4-37.6177.4-69.3-77.9138.200111.9V627 L628 F629 K634 D635 K636 R638 A639V627-E631 HydrophobicContact CG1-CG 4.37Å; V627-E631 VanDerWaalsContact O-CG 3.24Å; V627-E631 WeakPolarHBondContact O-CG 3.46Å; V627-E631 PolarHBondContact O-N 3.34Å; L628-E631 PolarHBondContact O-N 3.09Å; F629-E631 VanDerWaalsContact C-N 3.33Å; F629-E631 PolarHBondContact O-N 3.14Å; E631-K634 CarbonylContact O-C 3.58Å; E631-K634 PolarHBondContact O-N 3.19Å; E631-D635 PolarHBondContact O-N 3.37Å; E631-K636 HydrophobicContact CB-CB 4.24Å; E631-K636 HydrophobicContact CB-CG 4.49Å; E631-K636 WeakPolarHBondContact O-CB 3.26Å; E631-K636 PolarHBondContact O-N 3.47Å; E631-K636 WeakPolarHBondContact OE2-CB 3.11Å; E631-K636 VanDerWaalsContact OE2-CG 3.26Å; E631-K636 WeakPolarHBondContact OE2-CG 3.1Å; E631-R638 IonicContact OE1-NH2 3.82Å; E631-R638 PolarHBondContact OE1-NH2 2.94Å; E631-R638 IonicContact OE2-CZ 2.69Å; E631-R638 VanDerWaalsContact OE2-CZ 3.23Å; E631-R638 IonicContact OE2-NE 3.68Å; E631-R638 PolarHBondContact OE2-NE 3.03Å; E631-R638 IonicContact OE2-NH2 2.89Å; E631-R638 PolarHBondContact OE2-NH2 2.94Å; E631-A639 HydrophobicContact CB-CB 3.91Å
632L87.5Confident88.6Confident26 Ų2666.4 Ų66.414%0.13633%0.328CS..Hα-helixtrans-66.9-41.2174.2-72.3168.1000112L628 F629 K634 D635 A639 Q640 L643 L658L628-L632 HydrophobicContact CD1-CD1 4.35Å; L628-L632 HydrophobicContact CG-CD1 4.02Å; L628-L632 WeakPolarHBondContact O-CG 3.2Å; L628-L632 PolarHBondContact O-N 2.98Å; F629-L632 PolarHBondContact O-N 3.08Å; L632-K634 PolarHBondContact O-N 3.32Å; L632-D635 PolarHBondContact O-N 3.38Å; L632-A639 HydrophobicContact CD2-CB 3.74Å; L632-A639 HydrophobicContact CG-CB 3.93Å; L632-Q640 HydrophobicContact CD2-CG 4.49Å; L632-L643 HydrophobicContact CD1-CD1 3.88Å; L632-L643 HydrophobicContact CD2-CD1 3.67Å; L632-L643 HydrophobicContact CD2-CG 4.47Å; L632-L643 HydrophobicContact CG-CD1 4.45Å; L632-L658 HydrophobicContact CD1-CD1 4.15Å; L632-L658 HydrophobicContact CD1-CD2 3.7Å
633D87.1Confident89.1Confident102 Ų10262 Ų6255%0.54531%0.305SS..Hα-helixtrans-65.4-24.7175.3-73.4-29.9000112.5F629 D635 K665F629-D633 PolarHBondContact O-N 3.15Å; D633-D635 VanDerWaalsContact C-N 3.33Å; D633-K665 IonicContact OD1-NZ 3.06Å; D633-K665 PolarHBondContact OD1-NZ 3.05Å
634K89.8Confident89.2Confident116 Ų11666.3 Ų66.350%0.50432%0.324SS..THydrogen-bonded Turntrans-90.39.3173.3-69.4175.3-177.81750113.5Q630 E631 L632 K636Q630-K634 HydrophobicContact CG-CD 4.45Å; Q630-K634 VanDerWaalsContact O-CG 3.3Å; Q630-K634 WeakPolarHBondContact O-CG 3.22Å; Q630-K634 PolarHBondContact O-N 2.78Å; E631-K634 CarbonylContact O-C 3.58Å; E631-K634 PolarHBondContact O-N 3.19Å; L632-K634 PolarHBondContact O-N 3.32Å; K634-K636 HydrophobicContact CB-CG 4.05Å; K634-K636 PolarHBondContact O-N 3.13Å
635D86.9Confident89.3Confident122 Ų12262.3 Ų62.365%0.65231%0.306SS*.THydrogen-bonded Turntrans51.438.1-178.8-70-47.6000114.1E631 L632 D633E631-D635 PolarHBondContact O-N 3.37Å; L632-D635 PolarHBondContact O-N 3.38Å; D633-D635 VanDerWaalsContact C-N 3.33Å
636K91.4Very high89.8Confident102 Ų10260.1 Ų60.144%0.44329%0.292SS..  trans-75.1127.6179.6-67.7-75.7-173.5-177.40111.3E631 K634 R638 A639 Q640E631-K636 HydrophobicContact CB-CB 4.24Å; E631-K636 HydrophobicContact CB-CG 4.49Å; E631-K636 WeakPolarHBondContact O-CB 3.26Å; E631-K636 PolarHBondContact O-N 3.47Å; E631-K636 WeakPolarHBondContact OE2-CB 3.11Å; E631-K636 VanDerWaalsContact OE2-CG 3.26Å; E631-K636 WeakPolarHBondContact OE2-CG 3.1Å; K634-K636 HydrophobicContact CB-CG 4.05Å; K634-K636 PolarHBondContact O-N 3.13Å; K636-R638 HydrophobicContact CB-CG 4.48Å; K636-R638 PolarHBondContact O-N 3.17Å; K636-A639 PolarHBondContact O-N 3.42Å; K636-A639 VanDerWaalsContact O-N 3.17Å; K636-Q640 PolarHBondContact O-N 3.23Å
637K90Very high90Very high122 Ų12257 Ų5753%0.5327%0.269SS..Hα-helixtrans-56.6-47-176.6-76.1-175.1179.1-178.60113.5E583 A639 Q640 L641E583-K637 VanDerWaalsContact CD-CB 3.46Å; E583-K637 HydrophobicContact CG-CB 3.99Å; E583-K637 WeakPolarHBondContact OE1-CB 3.5Å; K637-A639 PolarHBondContact O-N 3.02Å; K637-A639 VanDerWaalsContact O-N 3.16Å; K637-Q640 WeakPolarHBondContact O-CB 3.47Å; K637-Q640 PolarHBondContact O-N 3.21Å; K637-L641 WeakPolarHBondContact O-CG 3.3Å; K637-L641 PolarHBondContact O-N 3.23Å
638R90.6Very high90.2Very high70 Ų7054.6 Ų54.626%0.26426%0.255SS..Hα-helixtrans-51.1-38.6176.561.5178.5179.6-180-2.4114.3I577 W578 E583 E631 K636 L642I577-R638 WeakPolarHBondContact CG2-O 3.26Å; W578-R638 WeakPolarHBondContact O-CD 3.32Å; E583-R638 WeakPolarHBondContact OE1-CA 3.49Å; E583-R638 WeakPolarHBondContact OE1-CB 3.4Å; E583-R638 PolarHBondContact OE1-N 3.11Å; E631-R638 IonicContact OE1-NH2 3.82Å; E631-R638 PolarHBondContact OE1-NH2 2.94Å; E631-R638 IonicContact OE2-CZ 2.69Å; E631-R638 VanDerWaalsContact OE2-CZ 3.23Å; E631-R638 IonicContact OE2-NE 3.68Å; E631-R638 PolarHBondContact OE2-NE 3.03Å; E631-R638 IonicContact OE2-NH2 2.89Å; E631-R638 PolarHBondContact OE2-NH2 2.94Å; K636-R638 HydrophobicContact CB-CG 4.48Å; K636-R638 PolarHBondContact O-N 3.17Å; R638-L642 WeakPolarHBondContact O-CB 3.28Å; R638-L642 PolarHBondContact O-N 3.38Å
639A91Very high90.5Very high0 Ų054.6 Ų54.60%026%0.255CS..Hα-helixtrans-73.7-38179.800000111.4L628 E631 L632 K636 K637 L642 L643L628-A639 HydrophobicContact CD1-CB 4.02Å; E631-A639 HydrophobicContact CB-CB 3.91Å; L632-A639 HydrophobicContact CD2-CB 3.74Å; L632-A639 HydrophobicContact CG-CB 3.93Å; K636-A639 PolarHBondContact O-N 3.42Å; K636-A639 VanDerWaalsContact O-N 3.17Å; K637-A639 PolarHBondContact O-N 3.02Å; K637-A639 VanDerWaalsContact O-N 3.16Å; A639-L642 PolarHBondContact O-N 3.47Å; A639-L643 PolarHBondContact O-N 3.48Å
640Q90.9Very high90.7Very high88 Ų8852.5 Ų52.541%0.41125%0.245SC..Hα-helixtrans-64.8-44.3173.5-63.1174.5-6.500111.5L632 K636 K637 L642 L643 Q644L632-Q640 HydrophobicContact CD2-CG 4.49Å; K636-Q640 PolarHBondContact O-N 3.23Å; K637-Q640 WeakPolarHBondContact O-CB 3.47Å; K637-Q640 PolarHBondContact O-N 3.21Å; Q640-L642 VanDerWaalsContact C-N 3.31Å; Q640-L642 PolarHBondContact O-N 3.33Å; Q640-L643 PolarHBondContact O-N 3.04Å; Q640-Q644 WeakPolarHBondContact O-CB 3.43Å; Q640-Q644 PolarHBondContact O-N 2.84Å
641L92.3Very high90.9Very high29 Ų2950 Ų5015%0.15224%0.238CC..Hα-helixtrans-62.9-37.3176.9-68.8173.6000111.8I577 V582 E583 K637 Q644 Y645I577-L641 HydrophobicContact CG2-CB 3.78Å; V582-L641 HydrophobicContact CB-CD1 4.44Å; V582-L641 HydrophobicContact CG1-CD1 4.25Å; E583-L641 HydrophobicContact CG-CD1 3.7Å; K637-L641 WeakPolarHBondContact O-CG 3.3Å; K637-L641 PolarHBondContact O-N 3.23Å; L641-Q644 PolarHBondContact O-N 3.44Å; L641-Y645 HydrophobicContact CB-CD2 4.37Å; L641-Y645 HydrophobicContact CD2-CD2 4.18Å; L641-Y645 HydrophobicContact CD2-CE2 3.72Å; L641-Y645 WeakPolarHBondContact O-CD2 3.22Å; L641-Y645 PolarHBondContact O-N 3.42Å
642L92.9Very high90.8Very high0 Ų050.4 Ų50.40%024%0.24CC..Hα-helixtrans-63.2-44.9176.2-172.2156.9000111.3F574 I577 W578 L623 R638 A639 Q640 Q644 I646 V649 I650F574-L642 HydrophobicContact CD2-CD1 3.93Å; F574-L642 HydrophobicContact CE2-CD1 3.71Å; I577-L642 HydrophobicContact CG2-CB 4.12Å; W578-L642 HydrophobicContact CE3-CD1 3.94Å; W578-L642 HydrophobicContact CZ3-CD1 4.22Å; L623-L642 HydrophobicContact CD2-CD1 3.91Å; L623-L642 HydrophobicContact CD2-CD2 4.41Å; R638-L642 WeakPolarHBondContact O-CB 3.28Å; R638-L642 PolarHBondContact O-N 3.38Å; A639-L642 PolarHBondContact O-N 3.47Å; Q640-L642 VanDerWaalsContact C-N 3.31Å; Q640-L642 PolarHBondContact O-N 3.33Å; L642-Q644 VanDerWaalsContact C-N 3.27Å; L642-Q644 PolarHBondContact O-N 3.21Å; L642-I646 HydrophobicContact CG-CD1 4.36Å; L642-I646 HydrophobicContact CG-CG1 4.12Å; L642-I646 CarbonylContact O-C 3.56Å; L642-I646 PolarHBondContact O-N 3.22Å; L642-V649 HydrophobicContact CD1-CG2 4.21Å; L642-V649 HydrophobicContact CD2-CG2 3.59Å; L642-V649 HydrophobicContact CG-CG2 4.01Å; L642-I650 HydrophobicContact CD2-CD1 3.46Å; L642-I650 VanDerWaalsContact CD2-CD1 3.46Å; L642-I650 HydrophobicContact CD2-CG1 3.83Å
643L90.3Very high90.8Very high17 Ų1755.1 Ų55.19%0.08926%0.259CS..Hα-helixtrans-64.6-31.7174-67.5-177.9000113L632 A639 Q640 I650 L658 M662 M916L632-L643 HydrophobicContact CD1-CD1 3.88Å; L632-L643 HydrophobicContact CD2-CD1 3.67Å; L632-L643 HydrophobicContact CD2-CG 4.47Å; L632-L643 HydrophobicContact CG-CD1 4.45Å; A639-L643 PolarHBondContact O-N 3.48Å; Q640-L643 PolarHBondContact O-N 3.04Å; L643-I650 HydrophobicContact CD2-CD1 3.41Å; L643-I650 VanDerWaalsContact CD2-CD1 3.41Å; L643-L658 HydrophobicContact CD2-CD1 4.05Å; L643-M662 HydrophobicContact CD1-CE 4.13Å; L643-M916 HydrophobicContact CD1-SD 4.07Å; L643-M916 HydrophobicContact CD2-CG 4.38Å; L643-M916 HydrophobicContact CD2-SD 3.78Å; L643-M916 HydrophobicContact CG-SD 4.36Å
644Q88.7Confident91Very high105 Ų10551.7 Ų51.749%0.49124%0.241SC..Hα-helixtrans-75.8-44-179.1-179179.2-1.100112.8Q640 L641 L642Q640-Q644 WeakPolarHBondContact O-CB 3.43Å; Q640-Q644 PolarHBondContact O-N 2.84Å; L641-Q644 PolarHBondContact O-N 3.44Å; L642-Q644 VanDerWaalsContact C-N 3.27Å; L642-Q644 PolarHBondContact O-N 3.21Å
645Y91.1Very high91.1Very high59 Ų5946.4 Ų46.423%0.23122%0.218CC..Hα-helixtrans-103.4-37-168.7-72-71.7000114F593 H597 L641F593-Y645 AromaticContact CE1-CD1 3.88Å; F593-Y645 HydrophobicContact CE1-CD1 3.88Å; F593-Y645 HydrophobicContact CE1-CD2 4.3Å; F593-Y645 AromaticContact CE1-CE1 3.88Å; F593-Y645 HydrophobicContact CE1-CE1 3.88Å; F593-Y645 HydrophobicContact CE1-CE2 4.3Å; F593-Y645 HydrophobicContact CE1-CG 4.1Å; F593-Y645 AromaticContact CZ-CD1 3.94Å; F593-Y645 HydrophobicContact CZ-CD1 3.94Å; F593-Y645 AromaticContact CZ-CD2 3.97Å; F593-Y645 HydrophobicContact CZ-CD2 3.97Å; F593-Y645 HydrophobicContact CZ-CE1 4.37Å; F593-Y645 HydrophobicContact CZ-CE2 4.4Å; F593-Y645 AromaticContact CZ-CG 3.73Å; F593-Y645 HydrophobicContact CZ-CG 3.73Å; H597-Y645 AromaticContact CE1-CD1 3.78Å; H597-Y645 AromaticContact NE2-CD1 3.92Å; H597-Y645 PolarHBondContact NE2-O 3.1Å; L641-Y645 HydrophobicContact CB-CD2 4.37Å; L641-Y645 HydrophobicContact CD2-CD2 4.18Å; L641-Y645 HydrophobicContact CD2-CE2 3.72Å; L641-Y645 WeakPolarHBondContact O-CD2 3.22Å; L641-Y645 PolarHBondContact O-N 3.42Å
646I93.8Very high91.3Very high0 Ų040.7 Ų40.70%019%0.187CC..  trans-138.151.5-173.856.4166.9000112.5V573 F574 I577 L600 L642 H648 V649V573-I646 HydrophobicContact CG1-CD1 4.35Å; V573-I646 HydrophobicContact CG1-CG2 3.69Å; F574-I646 HydrophobicContact CB-CD1 4.01Å; F574-I646 HydrophobicContact CD2-CD1 4.31Å; I577-I646 HydrophobicContact CD1-CD1 3.87Å; I577-I646 HydrophobicContact CD1-CG1 3.83Å; L600-I646 HydrophobicContact CD2-CG2 3.87Å; L642-I646 HydrophobicContact CG-CD1 4.36Å; L642-I646 HydrophobicContact CG-CG1 4.12Å; L642-I646 CarbonylContact O-C 3.56Å; L642-I646 PolarHBondContact O-N 3.22Å; I646-H648 PolarHBondContact O-N 2.89Å; I646-H648 VanDerWaalsContact O-N 3.11Å; I646-V649 HydrophobicContact CB-CG1 4.23Å; I646-V649 HydrophobicContact CD1-CG1 4.02Å; I646-V649 HydrophobicContact CD1-CG2 4.39Å; I646-V649 HydrophobicContact CG1-CG1 4.38Å; I646-V649 HydrophobicContact CG1-CG2 4.44Å; I646-V649 WeakPolarHBondContact O-CG2 3.49Å; I646-V649 PolarHBondContact O-N 3.18Å
647P92.8Very high91.3Very high14 Ų1437.5 Ų37.59%0.09118%0.175CC..G310 helixtrans-61.9-23.8-175.827-35.5000113.3V649 I650 R655 M916P647-V649 PolarHBondContact O-N 2.99Å; P647-V649 VanDerWaalsContact O-N 3.1Å; P647-I650 WeakPolarHBondContact O-CB 3.47Å; P647-I650 PolarHBondContact O-N 2.9Å; P647-R655 VanDerWaalsContact O-CD 3.23Å; P647-R655 WeakPolarHBondContact O-CD 3.37Å; P647-R655 PolarHBondContact O-NE 2.97Å; P647-M916 HydrophobicContact CB-CB 4.24Å; P647-M916 WeakPolarHBondContact CB-O 3.46Å
648H92.6Very high91.3Very high5 Ų532.2 Ų32.22%0.02315%0.152CC..G310 helixtrans-60.1-18.8178.760.4-88.2000114.3N570 Y604 W618 I646 I650N570-H648 PolarHBondContact OD1-NE2 3.39Å; Y604-H648 HydrophobicContact CD1-CB 4.46Å; Y604-H648 HydrophobicContact CD2-CB 4.04Å; Y604-H648 HydrophobicContact CE1-CB 3.91Å; Y604-H648 HydrophobicContact CE2-CB 3.44Å; Y604-H648 VanDerWaalsContact CE2-CB 3.44Å; Y604-H648 AromaticContact CE2-CG 3.96Å; W618-H648 AromaticContact CE3-CD2 3.94Å; I646-H648 PolarHBondContact O-N 2.89Å; I646-H648 VanDerWaalsContact O-N 3.11Å; H648-I650 PolarHBondContact O-N 2.79Å
649V94.1Very high91.4Very high1 Ų128.9 Ų28.91%0.00614%0.14CC..G310 helixtrans-68.5-15.2174.7-58.20000113.8N570 W618 R620 L623 L642 I646 P647N570-V649 WeakPolarHBondContact OD1-CG1 3.37Å; W618-V649 WeakPolarHBondContact O-CA 3.5Å; R620-V649 HydrophobicContact CB-CB 4.27Å; R620-V649 HydrophobicContact CG-CB 3.69Å; R620-V649 HydrophobicContact CG-CG1 3.81Å; R620-V649 PolarHBondContact N-O 3.42Å; R620-V649 VanDerWaalsContact N-O 3.16Å; L623-V649 HydrophobicContact CD2-CG2 4.45Å; L642-V649 HydrophobicContact CD1-CG2 4.21Å; L642-V649 HydrophobicContact CD2-CG2 3.59Å; L642-V649 HydrophobicContact CG-CG2 4.01Å; I646-V649 HydrophobicContact CB-CG1 4.23Å; I646-V649 HydrophobicContact CD1-CG1 4.02Å; I646-V649 HydrophobicContact CD1-CG2 4.39Å; I646-V649 HydrophobicContact CG1-CG1 4.38Å; I646-V649 HydrophobicContact CG1-CG2 4.44Å; I646-V649 WeakPolarHBondContact O-CG2 3.49Å; I646-V649 PolarHBondContact O-N 3.18Å; P647-V649 PolarHBondContact O-N 2.99Å; P647-V649 VanDerWaalsContact O-N 3.1Å
650I92.5Very high91.4Very high3 Ų331.3 Ų31.32%0.01515%0.149CC..SBendtrans-99.6132.9178.5-55.6158.8000108.7L623 L628 L642 L643 P647 H648 H652 N654 R655L623-I650 HydrophobicContact CD2-CG1 4.11Å; L628-I650 HydrophobicContact CD2-CD1 3.4Å; L628-I650 HydrophobicContact CD2-CG1 3.79Å; L628-I650 HydrophobicContact CD2-CG2 4.32Å; L642-I650 HydrophobicContact CD2-CD1 3.46Å; L642-I650 VanDerWaalsContact CD2-CD1 3.46Å; L642-I650 HydrophobicContact CD2-CG1 3.83Å; L643-I650 HydrophobicContact CD2-CD1 3.41Å; L643-I650 VanDerWaalsContact CD2-CD1 3.41Å; P647-I650 WeakPolarHBondContact O-CB 3.47Å; P647-I650 PolarHBondContact O-N 2.9Å; H648-I650 PolarHBondContact O-N 2.79Å; I650-H652 PolarHBondContact O-N 2.96Å; I650-N654 HydrophobicContact CG2-CB 3.84Å; I650-R655 HydrophobicContact CB-CG 3.85Å; I650-R655 HydrophobicContact CD1-CG 4.39Å; I650-R655 HydrophobicContact CG2-CG 3.77Å; I650-R655 PolarHBondContact O-NE 3.37Å
651P91.4Very high91.3Very high48 Ų4830.9 Ų30.931%0.31215%0.15SC..  trans-51.1136.6174.7-2733.7000112.3L619 K653 N654 R655L619-P651 HydrophobicContact CD1-CG 4.34Å; L619-P651 HydrophobicContact CD2-CG 4.3Å; P651-K653 VanDerWaalsContact C-N 3.29Å; P651-K653 PolarHBondContact O-N 3.34Å; P651-N654 WeakPolarHBondContact O-CB 3.48Å; P651-N654 PolarHBondContact O-N 3.27Å; P651-R655 PolarHBondContact O-N 3.23Å
652H89.3Confident91.2Very high29 Ų2931.9 Ų31.913%0.13415%0.154CC..Hα-helixtrans-50.2-47.5-177.2179.3-118.1000112.5I650 N654 R655 V656 F917 E921I650-H652 PolarHBondContact O-N 2.96Å; H652-N654 VanDerWaalsContact C-N 3.26Å; H652-N654 PolarHBondContact O-N 2.97Å; H652-R655 PolarHBondContact O-N 3.43Å; H652-V656 WeakPolarHBondContact O-CG2 3.45Å; H652-V656 PolarHBondContact O-N 3Å; H652-F917 AromaticContact NE2-CD1 3.98Å; H652-E921 IonicContact CD2-OE1 2.66Å; H652-E921 IonicContact CG-OE1 3.99Å
653K88.4Confident91.2Very high125 Ų12532.1 Ų32.154%0.54316%0.155SC..Hα-helixtrans-52.9-40.8177.1-173.5174.3-177.31700113.1P651 V656 L657 L987P651-K653 VanDerWaalsContact C-N 3.29Å; P651-K653 PolarHBondContact O-N 3.34Å; K653-V656 PolarHBondContact O-N 2.74Å; K653-L657 WeakPolarHBondContact O-CG 3.44Å; K653-L657 PolarHBondContact O-N 2.85Å; K653-L987 HydrophobicContact CG-CD2 3.86Å
654N90.2Very high91.1Very high30 Ų3034.4 Ų34.416%0.1617%0.17CC..Hα-helixtrans-74.2-33.5-178.8-63.7-10.5000111.9P625 F629 I650 P651 H652 L657 L658P625-N654 WeakPolarHBondContact CB-ND2 3.2Å; P625-N654 WeakPolarHBondContact CG-ND2 2.92Å; F629-N654 HydrophobicContact CZ-CB 4.27Å; I650-N654 HydrophobicContact CG2-CB 3.84Å; P651-N654 WeakPolarHBondContact O-CB 3.48Å; P651-N654 PolarHBondContact O-N 3.27Å; H652-N654 VanDerWaalsContact C-N 3.26Å; H652-N654 PolarHBondContact O-N 2.97Å; N654-L657 PolarHBondContact O-N 2.75Å; N654-L658 WeakPolarHBondContact O-CG 3.46Å; N654-L658 PolarHBondContact O-N 2.71Å
655R92.4Very high91.1Very high5 Ų534 Ų342%0.01917%0.167CC..Hα-helixtrans-67.4-36.4172.4-70.5-171.9-81.4117.5-1.7112.1P647 I650 P651 H652 L658 F659 M916 F917 E921P647-R655 VanDerWaalsContact O-CD 3.23Å; P647-R655 WeakPolarHBondContact O-CD 3.37Å; P647-R655 PolarHBondContact O-NE 2.97Å; I650-R655 HydrophobicContact CB-CG 3.85Å; I650-R655 HydrophobicContact CD1-CG 4.39Å; I650-R655 HydrophobicContact CG2-CG 3.77Å; I650-R655 PolarHBondContact O-NE 3.37Å; P651-R655 PolarHBondContact O-N 3.23Å; H652-R655 PolarHBondContact O-N 3.43Å; R655-L658 WeakPolarHBondContact O-CB 3.43Å; R655-L658 PolarHBondContact O-N 2.96Å; R655-F659 WeakPolarHBondContact O-CB 3.27Å; R655-F659 PolarHBondContact O-N 3.13Å; R655-M916 WeakPolarHBondContact CD-O 3.45Å; R655-M916 PolarHBondContact NH1-O 3.15Å; R655-F917 HydrophobicContact CB-CE1 3.88Å; R655-F917 HydrophobicContact CB-CZ 4.3Å; R655-E921 IonicContact CZ-OE1 2.68Å; R655-E921 IonicContact CZ-OE2 2.7Å; R655-E921 IonicContact NH1-OE1 3Å; R655-E921 IonicContact NH1-OE2 2.64Å; R655-E921 PolarHBondContact NH1-OE2 2.94Å; R655-E921 VanDerWaalsContact NH2-CD 3.27Å; R655-E921 IonicContact NH2-OE1 3.04Å; R655-E921 PolarHBondContact NH2-OE1 3.15Å; R655-E921 IonicContact NH2-OE2 3.61Å; R655-E921 PolarHBondContact NH2-OE2 3.47Å; R655-E921 VanDerWaalsContact NH2-OE2 3.14Å
656V91.1Very high91.1Very high2 Ų232 Ų321%0.01216%0.159CC..Hα-helixtrans-64.5-42.5172-179.30000110.9H652 K653 L658 F659 R660 F917 L925 L986 L987H652-V656 WeakPolarHBondContact O-CG2 3.45Å; H652-V656 PolarHBondContact O-N 3Å; K653-V656 PolarHBondContact O-N 2.74Å; V656-L658 PolarHBondContact O-N 3.43Å; V656-F659 WeakPolarHBondContact O-CB 3.24Å; V656-F659 PolarHBondContact O-N 3.35Å; V656-R660 WeakPolarHBondContact O-CG 3.16Å; V656-R660 PolarHBondContact O-N 3.18Å; V656-F917 HydrophobicContact CG2-CE1 3.85Å; V656-F917 HydrophobicContact CG2-CZ 4.33Å; V656-L925 HydrophobicContact CG1-CD1 4.34Å; V656-L986 HydrophobicContact CG1-CB 4.42Å; V656-L986 HydrophobicContact CG1-CD1 4.46Å; V656-L986 HydrophobicContact CG2-CD1 3.99Å; V656-L987 HydrophobicContact CB-CD2 4.09Å; V656-L987 HydrophobicContact CG1-CD1 3.97Å; V656-L987 HydrophobicContact CG1-CD2 3.93Å; V656-L987 HydrophobicContact CG1-CG 3.8Å
657L90Very high90.8Very high36 Ų3634 Ų3419%0.18817%0.168CC..Hα-helixtrans-60.6-43.9173.5-73.8167.9000112.1K653 N654 F659 R660 N661 L987 Y991K653-L657 WeakPolarHBondContact O-CG 3.44Å; K653-L657 PolarHBondContact O-N 2.85Å; N654-L657 PolarHBondContact O-N 2.75Å; L657-F659 PolarHBondContact O-N 2.9Å; L657-R660 PolarHBondContact O-N 3.12Å; L657-N661 VanDerWaalsContact O-CG 3.27Å; L657-N661 PolarHBondContact O-N 3.46Å; L657-L987 HydrophobicContact CD2-CD1 3.65Å; L657-L987 HydrophobicContact CD2-CD2 3.99Å; L657-L987 HydrophobicContact CD2-CG 4.43Å; L657-L987 HydrophobicContact CG-CD1 4.22Å; L657-L987 HydrophobicContact CG-CD2 3.81Å; L657-Y991 HydrophobicContact CD2-CE1 4.41Å
658L90.9Very high90.5Very high11 Ų1138.7 Ų38.76%0.05819%0.189CC..Hα-helixtrans-57-49.6173.8-80.5173.6000112L628 F629 L632 L643 N654 R655 V656 R660 N661 M662L628-L658 HydrophobicContact CD2-CD1 4.36Å; F629-L658 HydrophobicContact CD1-CD1 4.34Å; F629-L658 HydrophobicContact CD1-CD2 3.33Å; F629-L658 HydrophobicContact CD1-CG 3.92Å; F629-L658 HydrophobicContact CE1-CD1 3.72Å; F629-L658 HydrophobicContact CE1-CD2 3.24Å; F629-L658 HydrophobicContact CE1-CG 3.27Å; F629-L658 HydrophobicContact CG-CD2 4.43Å; F629-L658 HydrophobicContact CZ-CD2 4.25Å; F629-L658 HydrophobicContact CZ-CG 4.08Å; L632-L658 HydrophobicContact CD1-CD1 4.15Å; L632-L658 HydrophobicContact CD1-CD2 3.7Å; L643-L658 HydrophobicContact CD2-CD1 4.05Å; N654-L658 WeakPolarHBondContact O-CG 3.46Å; N654-L658 PolarHBondContact O-N 2.71Å; R655-L658 WeakPolarHBondContact O-CB 3.43Å; R655-L658 PolarHBondContact O-N 2.96Å; V656-L658 PolarHBondContact O-N 3.43Å; L658-R660 VanDerWaalsContact C-N 3.31Å; L658-R660 PolarHBondContact O-N 3.36Å; L658-N661 PolarHBondContact O-N 2.81Å; L658-M662 HydrophobicContact CB-CE 4.4Å; L658-M662 VanDerWaalsContact O-CG 3.31Å; L658-M662 WeakPolarHBondContact O-CG 3.4Å; L658-M662 PolarHBondContact O-N 2.89Å
659F92.7Very high90.2Very high0 Ų047.2 Ų47.20%023%0.226CC..Hα-helixtrans-54.6-48.5176.9171.9-97.2000111.3R655 V656 L657 N661 M662 V663 V788 I909 W913 M916 F917 L925R655-F659 WeakPolarHBondContact O-CB 3.27Å; R655-F659 PolarHBondContact O-N 3.13Å; V656-F659 WeakPolarHBondContact O-CB 3.24Å; V656-F659 PolarHBondContact O-N 3.35Å; L657-F659 PolarHBondContact O-N 2.9Å; F659-N661 PolarHBondContact O-N 3.16Å; F659-M662 PolarHBondContact O-N 2.86Å; F659-V663 HydrophobicContact CE1-CG2 4.03Å; F659-V663 HydrophobicContact CE2-CG2 4.19Å; F659-V663 HydrophobicContact CZ-CG2 3.81Å; F659-V663 WeakPolarHBondContact O-CG2 3.42Å; F659-V663 PolarHBondContact O-N 3.3Å; F659-V788 HydrophobicContact CE1-CG1 4.13Å; F659-V788 HydrophobicContact CZ-CG1 3.73Å; F659-I909 HydrophobicContact CE2-CG2 4.41Å; F659-I909 HydrophobicContact CZ-CD1 4.23Å; F659-W913 HydrophobicContact CD2-CB 3.89Å; F659-W913 HydrophobicContact CE2-CB 4.01Å; F659-W913 HydrophobicContact CE2-CE3 4.09Å; F659-M916 HydrophobicContact CB-CE 4.27Å; F659-F917 HydrophobicContact CB-CE2 4.16Å; F659-F917 HydrophobicContact CB-CZ 3.94Å; F659-F917 HydrophobicContact CD2-CE2 4.28Å; F659-F917 HydrophobicContact CG-CE2 4.32Å; F659-F917 HydrophobicContact CG-CZ 4.44Å; F659-L925 HydrophobicContact CD1-CD1 4.28Å; F659-L925 HydrophobicContact CE1-CD1 4.45Å; F659-L925 HydrophobicContact CE1-CD2 4.42Å
660R90.9Very high89.7Confident50 Ų5049.7 Ų49.719%0.18924%0.239CC..Hα-helixtrans-62.7-42.1178-65.8-64.9172.5-157.5-7.7112.2V656 L657 L658 M662 V663 T664 V788 G791 L987V656-R660 WeakPolarHBondContact O-CG 3.16Å; V656-R660 PolarHBondContact O-N 3.18Å; L657-R660 PolarHBondContact O-N 3.12Å; L658-R660 VanDerWaalsContact C-N 3.31Å; L658-R660 PolarHBondContact O-N 3.36Å; R660-M662 VanDerWaalsContact C-N 3.34Å; R660-M662 PolarHBondContact O-N 2.89Å; R660-V663 PolarHBondContact O-N 2.97Å; R660-T664 PolarHBondContact O-N 3.37Å; R660-T664 PolarHBondContact O-OG1 3.47Å; R660-V788 PolarHBondContact NH1-O 3.14Å; R660-G791 VanDerWaalsContact CZ-CA 3.48Å; R660-L987 HydrophobicContact CG-CD1 4.18Å
661N89.4Confident89.1Confident80 Ų8051.5 Ų51.543%0.42826%0.258SS..Hα-helixtrans-62.9-39.1176-70.1-11000112.2L657 L658 F659 T664 K665L657-N661 VanDerWaalsContact O-CG 3.27Å; L657-N661 PolarHBondContact O-N 3.46Å; L658-N661 PolarHBondContact O-N 2.81Å; F659-N661 PolarHBondContact O-N 3.16Å; N661-T664 PolarHBondContact O-N 3.09Å; N661-K665 WeakPolarHBondContact O-CB 3.46Å; N661-K665 WeakPolarHBondContact O-CG 3.37Å; N661-K665 PolarHBondContact O-N 3.48Å
662M90.9Very high88.3Confident49 Ų4950.2 Ų50.224%0.24125%0.248CC..Hα-helixtrans-64.7-41.8175.9-69176.7-167.300111.9L643 L658 F659 R660 E666 W913 M916L643-M662 HydrophobicContact CD1-CE 4.13Å; L658-M662 HydrophobicContact CB-CE 4.4Å; L658-M662 VanDerWaalsContact O-CG 3.31Å; L658-M662 WeakPolarHBondContact O-CG 3.4Å; L658-M662 PolarHBondContact O-N 2.89Å; F659-M662 PolarHBondContact O-N 2.86Å; R660-M662 VanDerWaalsContact C-N 3.34Å; R660-M662 PolarHBondContact O-N 2.89Å; M662-E666 PolarHBondContact O-N 3.4Å; M662-W913 HydrophobicContact CB-CD2 4.36Å; M662-W913 HydrophobicContact CB-CZ2 4.07Å; M662-W913 HydrophobicContact SD-CG 4.14Å; M662-M916 HydrophobicContact CE-CE 4.2Å; M662-M916 HydrophobicContact CE-SD 4.3Å; M662-M916 HydrophobicContact SD-CE 4.21Å
663V91Very high87.3Confident5 Ų552.2 Ų52.23%0.0326%0.262CS..Hα-helixtrans-62.4-47174170.20000110.9F659 R660 K665 E666 K667 Y789 W913F659-V663 HydrophobicContact CE1-CG2 4.03Å; F659-V663 HydrophobicContact CE2-CG2 4.19Å; F659-V663 HydrophobicContact CZ-CG2 3.81Å; F659-V663 WeakPolarHBondContact O-CG2 3.42Å; F659-V663 PolarHBondContact O-N 3.3Å; R660-V663 PolarHBondContact O-N 2.97Å; V663-K665 PolarHBondContact O-N 3.45Å; V663-E666 WeakPolarHBondContact O-CB 3.48Å; V663-E666 PolarHBondContact O-N 3.01Å; V663-E666 VanDerWaalsContact O-N 3.13Å; V663-K667 HydrophobicContact CG1-CD 4.4Å; V663-K667 PolarHBondContact O-N 3.29Å; V663-Y789 HydrophobicContact CB-CE2 4.49Å; V663-Y789 HydrophobicContact CG1-CD2 3.86Å; V663-Y789 HydrophobicContact CG1-CE1 4.46Å; V663-Y789 HydrophobicContact CG1-CE2 3.73Å; V663-Y789 HydrophobicContact CG1-CG 4.28Å; V663-Y789 WeakPolarHBondContact CG1-O 3.24Å; V663-Y789 HydrophobicContact CG2-CD2 4.19Å; V663-Y789 HydrophobicContact CG2-CE2 4.37Å; V663-W913 HydrophobicContact CG2-CE3 4.1Å; V663-W913 HydrophobicContact CG2-CH2 4.36Å; V663-W913 HydrophobicContact CG2-CZ3 3.71Å
664T89Confident85.8Confident65 Ų6552.5 Ų52.540%0.39927%0.266SS..Hα-helixtrans-60.2-47.5178-57.60000111.6R660 N661 E666 K667 E668R660-T664 PolarHBondContact O-N 3.37Å; R660-T664 PolarHBondContact O-OG1 3.47Å; N661-T664 PolarHBondContact O-N 3.09Å; T664-E666 PolarHBondContact O-N 3.21Å; T664-K667 WeakPolarHBondContact O-CB 3.33Å; T664-K667 PolarHBondContact O-N 3.5Å; T664-K667 VanDerWaalsContact O-N 3.1Å; T664-E668 WeakPolarHBondContact O-CG 3.41Å; T664-E668 PolarHBondContact O-N 2.98Å
665K88.8Confident83.8Confident97 Ų9756 Ų5642%0.42229%0.289SS..Hα-helixtrans-59.3-34175-74.8-179.1-179.5-177.20112.3D633 N661 V663 K669D633-K665 IonicContact OD1-NZ 3.06Å; D633-K665 PolarHBondContact OD1-NZ 3.05Å; N661-K665 WeakPolarHBondContact O-CB 3.46Å; N661-K665 WeakPolarHBondContact O-CG 3.37Å; N661-K665 PolarHBondContact O-N 3.48Å; V663-K665 PolarHBondContact O-N 3.45Å; K665-K669 VanDerWaalsContact O-CG 3.27Å; K665-K669 WeakPolarHBondContact O-CG 3.46Å; K665-K669 PolarHBondContact O-N 2.76Å; K665-K669 VanDerWaalsContact O-N 3.1Å
666E90.1Very high81.6Confident16 Ų1662 Ų628%0.07533%0.331CS..Hα-helixtrans-69.9-44.5173.7-173.9177.5-104.700111.8M662 V663 T664 E668 K669 L670 K709 Y789 K910 W913M662-E666 PolarHBondContact O-N 3.4Å; V663-E666 WeakPolarHBondContact O-CB 3.48Å; V663-E666 PolarHBondContact O-N 3.01Å; V663-E666 VanDerWaalsContact O-N 3.13Å; T664-E666 PolarHBondContact O-N 3.21Å; E666-E668 VanDerWaalsContact C-N 3.29Å; E666-E668 PolarHBondContact O-N 3.08Å; E666-K669 PolarHBondContact O-N 3.45Å; E666-L670 HydrophobicContact CG-CD1 3.95Å; E666-L670 HydrophobicContact CG-CG 4.35Å; E666-L670 WeakPolarHBondContact O-CB 3.29Å; E666-L670 WeakPolarHBondContact O-CG 3.45Å; E666-L670 PolarHBondContact O-N 3.03Å; E666-K709 VanDerWaalsContact CD-NZ 3.33Å; E666-K709 IonicContact OE1-NZ 3.55Å; E666-K709 PolarHBondContact OE1-NZ 3.25Å; E666-K709 IonicContact OE2-NZ 2.63Å; E666-K709 PolarHBondContact OE2-NZ 2.83Å; E666-Y789 VanDerWaalsContact OE2-CE2 3.24Å; E666-Y789 WeakPolarHBondContact OE2-CE2 3.49Å; E666-Y789 PolarHBondContact OE2-OH 2.95Å; E666-K910 WeakPolarHBondContact OE1-CE 3.2Å; E666-K910 IonicContact OE1-NZ 3.61Å; E666-K910 PolarHBondContact OE1-NZ 3.16Å; E666-W913 HydrophobicContact CB-CH2 3.9Å; E666-W913 HydrophobicContact CB-CZ2 4.38Å; E666-W913 HydrophobicContact CG-CH2 4.34Å
667K87.6Confident79.5Confident43 Ų4367.2 Ų67.219%0.18737%0.367CS..Hα-helixtrans-58.3-41.7175.3-72.3-176.2170.1-170.10111.7V663 T664 L670 G671 L672 V673 Y789 E790V663-K667 HydrophobicContact CG1-CD 4.4Å; V663-K667 PolarHBondContact O-N 3.29Å; T664-K667 WeakPolarHBondContact O-CB 3.33Å; T664-K667 PolarHBondContact O-N 3.5Å; T664-K667 VanDerWaalsContact O-N 3.1Å; K667-L670 PolarHBondContact O-N 3.07Å; K667-G671 PolarHBondContact O-N 2.88Å; K667-G671 VanDerWaalsContact O-N 3.14Å; K667-L672 HydrophobicContact CB-CB 4.28Å; K667-L672 PolarHBondContact O-N 2.96Å; K667-V673 HydrophobicContact CB-CG2 4.26Å; K667-Y789 HydrophobicContact CD-CE1 4.23Å; K667-Y789 HydrophobicContact CG-CE1 3.97Å; K667-Y789 WeakPolarHBondContact CG-OH 3.49Å; K667-E790 IonicContact NZ-OE1 3.58Å; K667-E790 IonicContact NZ-OE2 2.9Å; K667-E790 PolarHBondContact NZ-OE2 2.95Å
668E86.5Confident77.4Confident112 Ų11269.8 Ų69.852%0.52339%0.394SS..Hα-helixtrans-60.2-49.3173.9-72.5168.4-179.300111.8T664 E666 L670 G671 V673T664-E668 WeakPolarHBondContact O-CG 3.41Å; T664-E668 PolarHBondContact O-N 2.98Å; E666-E668 VanDerWaalsContact C-N 3.29Å; E666-E668 PolarHBondContact O-N 3.08Å; E668-L670 PolarHBondContact O-N 3.36Å; E668-G671 PolarHBondContact O-N 3.42Å; E668-V673 HydrophobicContact CB-CG2 4.33Å; E668-V673 HydrophobicContact CG-CG2 3.66Å
669K86.8Confident75.6Confident185 Ų18570.9 Ų70.980%0.80440%0.402SS*.Hα-helixtrans-61.1-32.5177.6-75.9176.2-178.3-173.90113.2K665 E666 G671K665-K669 VanDerWaalsContact O-CG 3.27Å; K665-K669 WeakPolarHBondContact O-CG 3.46Å; K665-K669 PolarHBondContact O-N 2.76Å; K665-K669 VanDerWaalsContact O-N 3.1Å; E666-K669 PolarHBondContact O-N 3.45Å; K669-G671 VanDerWaalsContact C-N 3.32Å
670L84.6Confident73.7Confident53 Ų5375.6 Ų75.628%0.27743%0.433SS..THydrogen-bonded Turntrans-85.7-1.1177.6-66.6176.1000113.3E666 K667 E668 L672 K709E666-L670 HydrophobicContact CG-CD1 3.95Å; E666-L670 HydrophobicContact CG-CG 4.35Å; E666-L670 WeakPolarHBondContact O-CB 3.29Å; E666-L670 WeakPolarHBondContact O-CG 3.45Å; E666-L670 PolarHBondContact O-N 3.03Å; K667-L670 PolarHBondContact O-N 3.07Å; E668-L670 PolarHBondContact O-N 3.36Å; L670-L672 VanDerWaalsContact C-N 3.26Å; L670-L672 HydrophobicContact CB-CD1 3.75Å; L670-L672 HydrophobicContact CB-CG 3.68Å; L670-L672 HydrophobicContact CD1-CD1 3.87Å; L670-L672 HydrophobicContact CG-CD1 4.48Å; L670-L672 PolarHBondContact O-N 2.96Å; L670-K709 HydrophobicContact CD1-CD 4.01Å
671G78.8Confident72.4Confident40 Ų4077.9 Ų77.941%0.41245%0.446SS..THydrogen-bonded Turntrans66.825.6-177.400000113.9K667 E668 K669K667-G671 PolarHBondContact O-N 2.88Å; K667-G671 VanDerWaalsContact O-N 3.14Å; E668-G671 PolarHBondContact O-N 3.42Å; K669-G671 VanDerWaalsContact C-N 3.32Å
672L75.6Confident71.7Confident22 Ų2276.2 Ų76.212%0.11544%0.438CS..  trans-92.84.1-176.1-59.5177.2000113.5K667 L670 H681 K709K667-L672 HydrophobicContact CB-CB 4.28Å; K667-L672 PolarHBondContact O-N 2.96Å; L670-L672 VanDerWaalsContact C-N 3.26Å; L670-L672 HydrophobicContact CB-CD1 3.75Å; L670-L672 HydrophobicContact CB-CG 3.68Å; L670-L672 HydrophobicContact CD1-CD1 3.87Å; L670-L672 HydrophobicContact CG-CD1 4.48Å; L670-L672 PolarHBondContact O-N 2.96Å; L672-H681 HydrophobicContact CD2-CB 3.86Å; L672-K709 HydrophobicContact CD1-CB 4.05Å
673V66.9Low71.3Confident70 Ų7075 Ų7542%0.42443%0.434SS..SBendtrans-84.1134.5177.4-176.80000109.2K667 E668 T675K667-V673 HydrophobicContact CB-CG2 4.26Å; E668-V673 HydrophobicContact CB-CG2 4.33Å; E668-V673 HydrophobicContact CG-CG2 3.66Å; V673-T675 PolarHBondContact O-N 2.96Å
674E57.8Low71Confident132 Ų13281 Ų8162%0.61746%0.461SS*.  trans-65.799.6177.5-71.4177.8163.100110.6
675T48.3Very low70.8Confident104 Ų10478 Ų7864%0.63844%0.443SS*.  trans-84.6139.2154.447.60000107.9V673 S677V673-T675 PolarHBondContact O-N 2.96Å; T675-S677 PolarHBondContact O-N 3.26Å
676S46.8Very low70.7Confident130 Ų13076.4 Ų76.491%0.90944%0.441SS*.SBendtrans-61.714.4-162.1-43.50000117.4
677S45.8Very low70.6Confident111 Ų11175.7 Ų75.778%0.77644%0.438SS*.SBendtrans-157.993.7176.1-55.20000109.9T675T675-S677 PolarHBondContact O-N 3.26Å
678A46.9Very low70.5Confident90 Ų9077.5 Ų77.574%0.74444%0.443SS*.  trans7496.8174.900000117.3P680A678-P680 WeakPolarHBondContact O-CD 3.41Å
679S52.3Low70.2Confident34 Ų3476.9 Ų76.924%0.23844%0.436CS..  trans-72.5121.4158.5-72.20000109.9H681S679-H681 PolarHBondContact O-N 3.19Å; S679-H681 VanDerWaalsContact O-N 3.1Å
680P52.4Low70Confident99 Ų9971 Ų7164%0.64342%0.419SS*.THydrogen-bonded Turntrans-74.54.2-174.727-32.1000115.1A678A678-P680 WeakPolarHBondContact O-CD 3.41Å
681H63.3Low70Confident99 Ų9975.2 Ų75.246%0.45843%0.431SS..THydrogen-bonded Turntrans-135.642.7-167.9-60.2-44.4000114.1L672 S679L672-H681 HydrophobicContact CD2-CB 3.86Å; S679-H681 PolarHBondContact O-N 3.19Å; S679-H681 VanDerWaalsContact O-N 3.1Å
682V75.3Confident70.3Confident45 Ų4573.7 Ų73.727%0.27341%0.413SS..EExtended strand (participates in β ladder)trans-85.6121.9171.8-176.70000109.5V711 R713V682-V711 WeakPolarHBondContact CA-O 3.39Å; V682-R713 HydrophobicContact CG1-CB 4.27Å; V682-R713 HydrophobicContact CG1-CG 3.68Å
683T82.8Confident70.7Confident24 Ų2473.5 Ų73.515%0.14741%0.412CS..EExtended strand (participates in β ladder)trans-96.9124.2175.4-56.70000109.5I685 L703 V711 I712 R713T683-I685 HydrophobicContact CG2-CG2 4.34Å; T683-L703 HydrophobicContact CG2-CD1 3.81Å; T683-L703 HydrophobicContact CG2-CD2 3.79Å; T683-L703 HydrophobicContact CG2-CG 4.48Å; T683-V711 PolarHBondContact N-O 3.02Å; T683-I712 CarbonylContact O-C 3.57Å; T683-I712 WeakPolarHBondContact O-CA 3.32Å; T683-R713 PolarHBondContact O-N 3.36Å
684H83.9Confident71.7Confident130 Ų13074.6 Ų74.660%0.60241%0.413SS*.EExtended strand (participates in β ladder)trans-98.7129.2175.9-70.6-92.7000110.3R713H684-R713 WeakPolarHBondContact CA-O 3.31Å
685I86.4Confident73.2Confident3 Ų368.8 Ų68.82%0.01539%0.386CS..EExtended strand (participates in β ladder)trans-122.8145173.368.1175.2000110.3T683 I687 Q699 L700 I712 R713 V714 K715 F736T683-I685 HydrophobicContact CG2-CG2 4.34Å; I685-I687 HydrophobicContact CD1-CD1 4.06Å; I685-I687 HydrophobicContact CD1-CG1 4.08Å; I685-I687 HydrophobicContact CG1-CD1 4.36Å; I685-I687 HydrophobicContact CG1-CG1 4.14Å; I685-Q699 HydrophobicContact CG2-CB 4.32Å; I685-L700 HydrophobicContact CD1-CD1 4.13Å; I685-L700 HydrophobicContact CD1-CD2 3.97Å; I685-L700 HydrophobicContact CD1-CG 4.16Å; I685-L700 HydrophobicContact CG2-CD2 3.84Å; I685-I712 HydrophobicContact CD1-CG2 3.95Å; I685-I712 HydrophobicContact CG1-CG2 4.13Å; I685-I712 HydrophobicContact CG2-CG2 4.37Å; I685-R713 PolarHBondContact N-O 3Å; I685-V714 HydrophobicContact CD1-CG1 4.46Å; I685-V714 HydrophobicContact CD1-CG2 3.72Å; I685-V714 HydrophobicContact CG1-CB 4.17Å; I685-V714 HydrophobicContact CG1-CG1 4.2Å; I685-V714 HydrophobicContact CG1-CG2 3.76Å; I685-K715 PolarHBondContact O-N 3.46Å; I685-F736 HydrophobicContact CD1-CD1 4.32Å; I685-F736 HydrophobicContact CD1-CE1 3.87Å; I685-F736 HydrophobicContact CD1-CZ 3.92Å
686T86.8Confident75.1Confident63 Ų6363.8 Ų63.839%0.38736%0.355SS..EExtended strand (participates in β ladder)trans-115.1121.8-179.4-560000109.6Q699 K715 V717T686-Q699 PolarHBondContact O-NE2 3.26Å; T686-K715 CarbonylContact C-O 3.46Å; T686-K715 WeakPolarHBondContact CA-O 3.1Å; T686-V717 HydrophobicContact CG2-CB 4.31Å; T686-V717 HydrophobicContact CG2-CG1 3.6Å; T686-V717 HydrophobicContact CG2-CG2 3.67Å
687I87.4Confident77Confident0 Ų059.1 Ų59.10%032%0.318CS..EExtended strand (participates in β ladder)trans-126.7132.2-168.1-57.9-62.6000110.4I685 M692 D695 V714 K715 F716 V717 F736I685-I687 HydrophobicContact CD1-CD1 4.06Å; I685-I687 HydrophobicContact CD1-CG1 4.08Å; I685-I687 HydrophobicContact CG1-CD1 4.36Å; I685-I687 HydrophobicContact CG1-CG1 4.14Å; I687-M692 HydrophobicContact CG2-CB 4.2Å; I687-M692 HydrophobicContact CG2-CG 3.87Å; I687-D695 HydrophobicContact CD1-CB 3.88Å; I687-V714 HydrophobicContact CB-CG1 4.21Å; I687-V714 HydrophobicContact CG1-CG1 3.75Å; I687-K715 PolarHBondContact N-O 2.74Å; I687-F716 HydrophobicContact CB-CD1 4.01Å; I687-F716 HydrophobicContact CB-CE1 4.04Å; I687-F716 HydrophobicContact CG2-CD1 4.09Å; I687-F716 HydrophobicContact CG2-CE1 3.81Å; I687-F716 WeakPolarHBondContact O-CA 3.42Å; I687-V717 PolarHBondContact O-N 2.92Å; I687-F736 HydrophobicContact CB-CD2 4.42Å; I687-F736 HydrophobicContact CB-CE2 4.35Å; I687-F736 HydrophobicContact CD1-CD2 4.4Å; I687-F736 HydrophobicContact CD1-CE2 3.59Å; I687-F736 HydrophobicContact CD1-CZ 4.02Å; I687-F736 HydrophobicContact CG1-CD2 3.91Å; I687-F736 HydrophobicContact CG1-CE2 3.6Å; I687-F736 HydrophobicContact CG1-CZ 4.31Å; I687-F736 HydrophobicContact CG2-CD2 3.98Å; I687-F736 HydrophobicContact CG2-CE2 3.88Å
688R85.4Confident79Confident81 Ų8159.7 Ų59.731%0.30631%0.308SS..EExtended strand (participates in β ladder)trans-88.7130.2167.1-67.1167.3-69.5-166.6-1.7110.2S690 R691 M692 D695 V717R688-S690 PolarHBondContact O-N 3.24Å; R688-R691 HydrophobicContact CB-CB 4.47Å; R688-R691 CarbonylContact O-C 3.47Å; R688-R691 VanDerWaalsContact O-C 3.29Å; R688-R691 PolarHBondContact O-N 3.48Å; R688-M692 WeakPolarHBondContact O-CA 3.45Å; R688-M692 PolarHBondContact O-N 2.97Å; R688-M692 VanDerWaalsContact O-N 3.07Å; R688-D695 WeakPolarHBondContact CB-OD2 3.4Å; R688-D695 IonicContact CZ-OD1 3.23Å; R688-D695 IonicContact CZ-OD2 2.79Å; R688-D695 PolarHBondContact N-OD2 3.42Å; R688-D695 IonicContact NE-OD1 3Å; R688-D695 IonicContact NE-OD2 2.68Å; R688-D695 PolarHBondContact NE-OD2 3.18Å; R688-D695 IonicContact NH2-OD1 2.8Å; R688-D695 PolarHBondContact NH2-OD1 3.4Å; R688-D695 IonicContact NH2-OD2 3.38Å; R688-V717 WeakPolarHBondContact CA-O 3.26Å; R688-V717 HydrophobicContact CG-CG2 3.67Å
689R79.9Confident81Confident99 Ų9958.4 Ų58.437%0.37429%0.287SS..G310 helixtrans-55.2-38.9178-72.1-173.9178.8-112.5-13.4112.2R691 F716 E724 E735R689-R691 VanDerWaalsContact C-N 3.3Å; R689-R691 PolarHBondContact O-N 3.28Å; R689-F716 HydrophobicContact CG-CD1 4.12Å; R689-E724 WeakPolarHBondContact CD-OE1 3.25Å; R689-E724 IonicContact CZ-OE2 3.53Å; R689-E724 IonicContact NE-OE1 3.65Å; R689-E724 PolarHBondContact NE-OE1 3.47Å; R689-E724 IonicContact NE-OE2 2.71Å; R689-E724 PolarHBondContact NE-OE2 3.43Å; R689-E724 IonicContact NH2-OE2 2.65Å; R689-E724 PolarHBondContact NH2-OE2 3.22Å; R689-E735 IonicContact CZ-OE1 3.16Å; R689-E735 IonicContact NH1-OE1 2.86Å; R689-E735 IonicContact NH2-OE1 3.99Å; R689-E735 PolarHBondContact NH2-OE1 3.14Å
690S82.1Confident82.7Confident63 Ų6357 Ų5744%0.44128%0.276SS..G310 helixtrans-65.5-27.2178.261.20000114R688 D719R688-S690 PolarHBondContact O-N 3.24Å; S690-D719 WeakPolarHBondContact CB-OD1 3.32Å; S690-D719 PolarHBondContact OG-OD1 3.32Å
691R84.9Confident84.1Confident140 Ų14057.5 Ų57.553%0.52827%0.266SS..G310 helixtrans-130.240-173.7-67.7-172.2171.3-171.8-2112.5R688 R689 L693 E694 D695R688-R691 HydrophobicContact CB-CB 4.47Å; R688-R691 CarbonylContact O-C 3.47Å; R688-R691 VanDerWaalsContact O-C 3.29Å; R688-R691 PolarHBondContact O-N 3.48Å; R689-R691 VanDerWaalsContact C-N 3.3Å; R689-R691 PolarHBondContact O-N 3.28Å; R691-L693 VanDerWaalsContact C-N 3.35Å; R691-L693 PolarHBondContact O-N 3.24Å; R691-E694 VanDerWaalsContact C-OE2 3.23Å; R691-E694 WeakPolarHBondContact CA-OE2 3.32Å; R691-E694 HydrophobicContact CB-CB 4.47Å; R691-E694 PolarHBondContact O-N 3.29Å; R691-D695 WeakPolarHBondContact O-CB 3.49Å; R691-D695 PolarHBondContact O-N 2.92Å
692M84.5Confident85Confident9 Ų960.3 Ų60.34%0.04428%0.279CS..Hα-helixtrans-61.7-40.6-172-175.4173.4-59.200113.8I687 R688 G696 F716 F736 E739 I740I687-M692 HydrophobicContact CG2-CB 4.2Å; I687-M692 HydrophobicContact CG2-CG 3.87Å; R688-M692 WeakPolarHBondContact O-CA 3.45Å; R688-M692 PolarHBondContact O-N 2.97Å; R688-M692 VanDerWaalsContact O-N 3.07Å; M692-G696 WeakPolarHBondContact O-CA 3.01Å; M692-G696 PolarHBondContact O-N 3.42Å; M692-F716 HydrophobicContact CE-CE1 3.62Å; M692-F716 HydrophobicContact CE-CZ 4.04Å; M692-F736 HydrophobicContact CG-CD2 3.76Å; M692-F736 HydrophobicContact CG-CE2 3.78Å; M692-F736 HydrophobicContact SD-CD2 3.97Å; M692-E739 HydrophobicContact CE-CB 4.29Å; M692-E739 WeakPolarHBondContact CE-OE2 3.17Å; M692-E739 HydrophobicContact SD-CB 3.54Å; M692-E739 VanDerWaalsContact SD-CB 3.54Å; M692-I740 HydrophobicContact CG-CD1 4.2Å; M692-I740 HydrophobicContact CG-CG1 3.75Å; M692-I740 HydrophobicContact SD-CG1 4.03Å
693L85.8Confident85.4Confident17 Ų1760.3 Ų60.39%0.08928%0.277CS..Hα-helixtrans-69.3-43.8-178.2178.459.2000110.4R691 Y697 I740 K743 V744 L749 F779R691-L693 VanDerWaalsContact C-N 3.35Å; R691-L693 PolarHBondContact O-N 3.24Å; L693-Y697 WeakPolarHBondContact O-CB 3.41Å; L693-Y697 PolarHBondContact O-N 3.49Å; L693-I740 HydrophobicContact CD1-CG2 4.42Å; L693-K743 HydrophobicContact CB-CD 4.25Å; L693-V744 HydrophobicContact CD1-CG2 3.44Å; L693-V744 VanDerWaalsContact CD1-CG2 3.44Å; L693-V744 HydrophobicContact CD2-CG2 4.22Å; L693-V744 HydrophobicContact CG-CG2 4.47Å; L693-L749 HydrophobicContact CD2-CD1 4.47Å; L693-F779 HydrophobicContact CD1-CE1 4.1Å
694E87.7Confident85.5Confident94 Ų9462.6 Ų62.644%0.43929%0.294SS..Hα-helixtrans-67.8-52.8-178-6179.7179.100111.2R691 G696 Y697 E698R691-E694 VanDerWaalsContact C-OE2 3.23Å; R691-E694 WeakPolarHBondContact CA-OE2 3.32Å; R691-E694 HydrophobicContact CB-CB 4.47Å; R691-E694 PolarHBondContact O-N 3.29Å; E694-G696 VanDerWaalsContact C-N 3.34Å; E694-G696 PolarHBondContact O-N 3.37Å; E694-Y697 PolarHBondContact O-N 3.38Å; E694-E698 WeakPolarHBondContact O-CB 3.21Å; E694-E698 PolarHBondContact O-N 2.9Å
695D88.3Confident85.5Confident9 Ų962.2 Ų62.25%0.04829%0.293CS..Hα-helixtrans-64.2-40.9179.8-69.5-9.4000111.1I687 R688 R691 Q699I687-D695 HydrophobicContact CD1-CB 3.88Å; R688-D695 WeakPolarHBondContact CB-OD2 3.4Å; R688-D695 IonicContact CZ-OD1 3.23Å; R688-D695 IonicContact CZ-OD2 2.79Å; R688-D695 PolarHBondContact N-OD2 3.42Å; R688-D695 IonicContact NE-OD1 3Å; R688-D695 IonicContact NE-OD2 2.68Å; R688-D695 PolarHBondContact NE-OD2 3.18Å; R688-D695 IonicContact NH2-OD1 2.8Å; R688-D695 PolarHBondContact NH2-OD1 3.4Å; R688-D695 IonicContact NH2-OD2 3.38Å; R691-D695 WeakPolarHBondContact O-CB 3.49Å; R691-D695 PolarHBondContact O-N 2.92Å; D695-Q699 WeakPolarHBondContact O-CB 3.15Å; D695-Q699 PolarHBondContact O-N 3.23Å; D695-Q699 VanDerWaalsContact O-N 3.17Å
696G87.4Confident85.4Confident0 Ų066.8 Ų66.80%032%0.317CS..Hα-helixtrans-64.5-45.8176.300000112.3M692 E694 L700M692-G696 WeakPolarHBondContact O-CA 3.01Å; M692-G696 PolarHBondContact O-N 3.42Å; E694-G696 VanDerWaalsContact C-N 3.34Å; E694-G696 PolarHBondContact O-N 3.37Å; G696-L700 WeakPolarHBondContact O-CB 3.46Å; G696-L700 WeakPolarHBondContact O-CG 3.47Å; G696-L700 PolarHBondContact O-N 3.03Å
697Y88.3Confident85.3Confident32 Ų3264.8 Ų64.813%0.12531%0.307CS..Hα-helixtrans-61-48176.8173.3-99.2000111.8L693 E694 R701 Q775 L776 F779L693-Y697 WeakPolarHBondContact O-CB 3.41Å; L693-Y697 PolarHBondContact O-N 3.49Å; E694-Y697 PolarHBondContact O-N 3.38Å; Y697-R701 WeakPolarHBondContact O-CB 3.23Å; Y697-R701 PolarHBondContact O-N 2.88Å; Y697-R701 VanDerWaalsContact O-N 3.1Å; Y697-R701 PolarHBondContact OH-NH1 2.89Å; Y697-Q775 HydrophobicContact CE2-CB 4.25Å; Y697-Q775 WeakPolarHBondContact OH-CB 3.32Å; Y697-L776 HydrophobicContact CD2-CD2 3.88Å; Y697-L776 HydrophobicContact CE2-CD2 4.04Å; Y697-L776 HydrophobicContact CG-CD2 4.35Å; Y697-F779 HydrophobicContact CD2-CB 3.69Å; Y697-F779 AromaticContact CD2-CD1 3.91Å; Y697-F779 HydrophobicContact CD2-CD1 3.91Å; Y697-F779 HydrophobicContact CD2-CD2 4.31Å; Y697-F779 AromaticContact CD2-CG 3.7Å; Y697-F779 HydrophobicContact CD2-CG 3.7Å; Y697-F779 HydrophobicContact CE2-CB 3.98Å; Y697-F779 HydrophobicContact CE2-CG 4.48Å
698E88Confident85.3Confident123 Ų12365 Ų6558%0.57531%0.308SS*.Hα-helixtrans-65-43.3-175.7-170.3168.8-162.400112.3E694 Q702E694-E698 WeakPolarHBondContact O-CB 3.21Å; E694-E698 PolarHBondContact O-N 2.9Å; E698-Q702 WeakPolarHBondContact O-CG 3.47Å; E698-Q702 PolarHBondContact O-NE2 2.99Å
699Q88.9Confident85.4Confident63 Ų6361.9 Ų61.929%0.29430%0.297SS..Hα-helixtrans-78.5-44.5-177.7-71.7173.65800112.9I685 T686 D695I685-Q699 HydrophobicContact CG2-CB 4.32Å; T686-Q699 PolarHBondContact O-NE2 3.26Å; D695-Q699 WeakPolarHBondContact O-CB 3.15Å; D695-Q699 PolarHBondContact O-N 3.23Å; D695-Q699 VanDerWaalsContact O-N 3.17Å
700L86.8Confident85.6Confident3 Ų357.3 Ų57.32%0.01628%0.28CS..Hα-helixtrans-80.2-26.8-174-65.2176.6000113.2I685 G696 Q702 L703 M708 I712 F736 F779 M783I685-L700 HydrophobicContact CD1-CD1 4.13Å; I685-L700 HydrophobicContact CD1-CD2 3.97Å; I685-L700 HydrophobicContact CD1-CG 4.16Å; I685-L700 HydrophobicContact CG2-CD2 3.84Å; G696-L700 WeakPolarHBondContact O-CB 3.46Å; G696-L700 WeakPolarHBondContact O-CG 3.47Å; G696-L700 PolarHBondContact O-N 3.03Å; L700-Q702 VanDerWaalsContact C-N 3.26Å; L700-Q702 PolarHBondContact O-N 3.42Å; L700-L703 HydrophobicContact CD2-CD1 3.49Å; L700-L703 VanDerWaalsContact CD2-CD1 3.49Å; L700-L703 WeakPolarHBondContact O-CB 3.32Å; L700-L703 PolarHBondContact O-N 2.91Å; L700-M708 HydrophobicContact CD2-SD 4.4Å; L700-I712 HydrophobicContact CD2-CD1 4.06Å; L700-I712 HydrophobicContact CD2-CG2 4.38Å; L700-F736 HydrophobicContact CD1-CE1 3.58Å; L700-F736 HydrophobicContact CD1-CZ 3.85Å; L700-F779 HydrophobicContact CB-CE2 3.84Å; L700-F779 HydrophobicContact CD1-CE2 4.1Å; L700-F779 HydrophobicContact CD1-CZ 4.41Å; L700-M783 HydrophobicContact CB-CE 4.33Å; L700-M783 HydrophobicContact CD1-CE 3.99Å; L700-M783 HydrophobicContact CD1-SD 3.76Å
701R82.5Confident85.6Confident110 Ų11056.5 Ų56.542%0.41527%0.273SS..Hα-helixtrans-63.4-33.7177.3178.7179.1176.2-154-7.5112.4Y697 L703Y697-R701 WeakPolarHBondContact O-CB 3.23Å; Y697-R701 PolarHBondContact O-N 2.88Å; Y697-R701 VanDerWaalsContact O-N 3.1Å; Y697-R701 PolarHBondContact OH-NH1 2.89Å; R701-L703 VanDerWaalsContact C-N 3.28Å; R701-L703 PolarHBondContact O-N 3.49Å
702Q81.1Confident85.5Confident158 Ų15850.2 Ų50.274%0.73825%0.249SC*.THydrogen-bonded Turntrans-78.1-12.2-177.6-62.7-178.317.500113.2E698 L700E698-Q702 WeakPolarHBondContact O-CG 3.47Å; E698-Q702 PolarHBondContact O-NE2 2.99Å; L700-Q702 VanDerWaalsContact C-N 3.26Å; L700-Q702 PolarHBondContact O-N 3.42Å
703L85.3Confident85.4Confident45 Ų4553.9 Ų53.924%0.23626%0.263CS..SBendtrans-69.4143.4-178.8-62.3-179.2000112T683 L700 R701 A707 M708T683-L703 HydrophobicContact CG2-CD1 3.81Å; T683-L703 HydrophobicContact CG2-CD2 3.79Å; T683-L703 HydrophobicContact CG2-CG 4.48Å; L700-L703 HydrophobicContact CD2-CD1 3.49Å; L700-L703 VanDerWaalsContact CD2-CD1 3.49Å; L700-L703 WeakPolarHBondContact O-CB 3.32Å; L700-L703 PolarHBondContact O-N 2.91Å; R701-L703 VanDerWaalsContact C-N 3.28Å; R701-L703 PolarHBondContact O-N 3.49Å; L703-A707 HydrophobicContact CB-CB 4.32Å; L703-A707 HydrophobicContact CD2-CB 4.48Å; L703-M708 HydrophobicContact CD1-SD 4.35Å
704S85.2Confident85.3Confident73 Ų7353.3 Ų53.351%0.5126%0.26SS..  trans-66.2157.6168.472.40000111N706 A707 M708S704-N706 PolarHBondContact O-N 3.47Å; S704-A707 PolarHBondContact O-N 3.27Å; S704-A707 VanDerWaalsContact O-N 3.16Å; S704-A707 WeakPolarHBondContact OG-CB 3.44Å; S704-A707 PolarHBondContact OG-N 2.93Å; S704-M708 WeakPolarHBondContact O-CB 3.04Å; S704-M708 PolarHBondContact O-N 3.15Å
705Q83Confident85Confident121 Ų12152.9 Ų52.957%0.56526%0.257SS*.Hα-helixtrans-56.2-37.2177.9-66.7178.83.100112.5K709Q705-K709 WeakPolarHBondContact O-CG 3.31Å; Q705-K709 PolarHBondContact O-N 2.96Å; Q705-K709 VanDerWaalsContact O-N 3.1Å
706N83.4Confident84.7Confident99 Ų9953.2 Ų53.253%0.52926%0.258SS..Hα-helixtrans-70-43178.8-67.6-9.2000111.9S704 M708 K709 G710S704-N706 PolarHBondContact O-N 3.47Å; N706-M708 VanDerWaalsContact C-N 3.31Å; N706-M708 PolarHBondContact O-N 3.37Å; N706-K709 PolarHBondContact O-N 3.34Å; N706-G710 PolarHBondContact O-N 3Å; N706-G710 VanDerWaalsContact O-N 3.08Å
707A84.7Confident84.5Confident22 Ų2253.7 Ų53.718%0.18226%0.261CS..Hα-helixtrans-63.3-39.9176.200000111.3L703 S704 K709 G710L703-A707 HydrophobicContact CB-CB 4.32Å; L703-A707 HydrophobicContact CD2-CB 4.48Å; S704-A707 PolarHBondContact O-N 3.27Å; S704-A707 VanDerWaalsContact O-N 3.16Å; S704-A707 WeakPolarHBondContact OG-CB 3.44Å; S704-A707 PolarHBondContact OG-N 2.93Å; A707-K709 VanDerWaalsContact C-N 3.31Å; A707-K709 PolarHBondContact O-N 3.43Å; A707-G710 PolarHBondContact O-N 2.89Å; A707-G710 VanDerWaalsContact O-N 3.12Å
708M87.4Confident84Confident4 Ų455 Ų552%0.0227%0.27CS..Hα-helixtrans-64.9-32.7176.7-168.263.8-150.300112.7L700 L703 S704 N706 I712 M783 K786 I908L700-M708 HydrophobicContact CD2-SD 4.4Å; L703-M708 HydrophobicContact CD1-SD 4.35Å; S704-M708 WeakPolarHBondContact O-CB 3.04Å; S704-M708 PolarHBondContact O-N 3.15Å; N706-M708 VanDerWaalsContact C-N 3.31Å; N706-M708 PolarHBondContact O-N 3.37Å; M708-I712 HydrophobicContact CE-CD1 3.84Å; M708-I712 HydrophobicContact SD-CD1 3.88Å; M708-M783 HydrophobicContact CE-CE 3.2Å; M708-M783 HydrophobicContact CE-SD 4.08Å; M708-M783 HydrophobicContact SD-CE 4.05Å; M708-K786 HydrophobicContact CE-CB 3.76Å; M708-K786 HydrophobicContact CE-CD 4.23Å; M708-K786 HydrophobicContact CE-CG 3.75Å; M708-K786 WeakPolarHBondContact O-CD 3.34Å; M708-K786 VanDerWaalsContact O-CE 3.22Å; M708-K786 WeakPolarHBondContact O-CE 3.44Å; M708-K786 PolarHBondContact O-NZ 2.9Å; M708-I908 HydrophobicContact CB-CD1 3.88Å; M708-I908 HydrophobicContact CG-CD1 3.45Å; M708-I908 VanDerWaalsContact CG-CD1 3.45Å; M708-I908 HydrophobicContact CG-CG1 4.45Å
709K88.3Confident83.3Confident16 Ų1654.9 Ų54.97%0.0727%0.273CS..Hα-helixtrans-76.1-23173.6-73.6178.8178.1-161.40113.4E666 L670 L672 Q705 N706 A707 K786 Y789 I908E666-K709 VanDerWaalsContact CD-NZ 3.33Å; E666-K709 IonicContact OE1-NZ 3.55Å; E666-K709 PolarHBondContact OE1-NZ 3.25Å; E666-K709 IonicContact OE2-NZ 2.63Å; E666-K709 PolarHBondContact OE2-NZ 2.83Å; L670-K709 HydrophobicContact CD1-CD 4.01Å; L672-K709 HydrophobicContact CD1-CB 4.05Å; Q705-K709 WeakPolarHBondContact O-CG 3.31Å; Q705-K709 PolarHBondContact O-N 2.96Å; Q705-K709 VanDerWaalsContact O-N 3.1Å; N706-K709 PolarHBondContact O-N 3.34Å; A707-K709 VanDerWaalsContact C-N 3.31Å; A707-K709 PolarHBondContact O-N 3.43Å; K709-K786 PolarHBondContact O-NZ 2.86Å; K709-Y789 HydrophobicContact CB-CE1 4Å; K709-Y789 HydrophobicContact CD-CE2 4.48Å; K709-Y789 HydrophobicContact CG-CE1 4.19Å; K709-I908 WeakPolarHBondContact CE-O 3.44Å; K709-I908 HydrophobicContact CG-CD1 4.35Å; K709-I908 HydrophobicContact CG-CG2 4.32Å; K709-I908 PolarHBondContact NZ-O 3.3Å
710G83.3Confident82.5Confident2 Ų259.3 Ų59.32%0.02130%0.298CS..SBendtrans-70.4-178.8176.100000114.3N706 A707 I712 K786N706-G710 PolarHBondContact O-N 3Å; N706-G710 VanDerWaalsContact O-N 3.08Å; A707-G710 PolarHBondContact O-N 2.89Å; A707-G710 VanDerWaalsContact O-N 3.12Å; G710-I712 PolarHBondContact O-N 2.94Å; G710-K786 PolarHBondContact O-NZ 2.85Å
711V82.4Confident81.6Confident47 Ų4761.6 Ų61.629%0.28532%0.322SS..EExtended strand (participates in β ladder)trans-73.9124.4178.6-179.90000109V682 T683 R713V682-V711 WeakPolarHBondContact CA-O 3.39Å; T683-V711 PolarHBondContact N-O 3.02Å; V711-R713 HydrophobicContact CG1-CG 4.5Å
712I83.9Confident81.2Confident7 Ų760.4 Ų60.44%0.03633%0.327CS..EExtended strand (participates in β ladder)trans-104.6124.7176.4-59.6172.7000107.7T683 I685 L700 M708 G710 V714 F733T683-I712 CarbonylContact O-C 3.57Å; T683-I712 WeakPolarHBondContact O-CA 3.32Å; I685-I712 HydrophobicContact CD1-CG2 3.95Å; I685-I712 HydrophobicContact CG1-CG2 4.13Å; I685-I712 HydrophobicContact CG2-CG2 4.37Å; L700-I712 HydrophobicContact CD2-CD1 4.06Å; L700-I712 HydrophobicContact CD2-CG2 4.38Å; M708-I712 HydrophobicContact CE-CD1 3.84Å; M708-I712 HydrophobicContact SD-CD1 3.88Å; G710-I712 PolarHBondContact O-N 2.94Å; I712-V714 HydrophobicContact CG2-CG2 4.4Å; I712-F733 HydrophobicContact CB-CD2 3.66Å; I712-F733 HydrophobicContact CB-CE2 3.74Å; I712-F733 HydrophobicContact CB-CG 4.3Å; I712-F733 HydrophobicContact CB-CZ 4.44Å; I712-F733 HydrophobicContact CD1-CE2 3.8Å; I712-F733 HydrophobicContact CD1-CZ 4.12Å; I712-F733 HydrophobicContact CG1-CE2 4.33Å; I712-F733 HydrophobicContact CG2-CD2 3.63Å; I712-F733 HydrophobicContact CG2-CE2 3.82Å; I712-F733 WeakPolarHBondContact O-CB 3.42Å
713R82.6Confident80.7Confident87 Ų8757.1 Ų57.133%0.32831%0.314SS..EExtended strand (participates in β ladder)trans-106.7124.9174.2-71.4-170.8177.5176.6-5.3109.4V682 T683 H684 I685 V711 D730V682-R713 HydrophobicContact CG1-CB 4.27Å; V682-R713 HydrophobicContact CG1-CG 3.68Å; T683-R713 PolarHBondContact O-N 3.36Å; H684-R713 WeakPolarHBondContact CA-O 3.31Å; I685-R713 PolarHBondContact N-O 3Å; V711-R713 HydrophobicContact CG1-CG 4.5Å; R713-D730 IonicContact NH2-OD1 3.8Å
714V82.4Confident80Confident5 Ų558.5 Ų58.53%0.0332%0.32CS..EExtended strand (participates in β ladder)trans-102.9131.9-177.5-175.60000109I685 I687 I712 F716 V732 F733 F736I685-V714 HydrophobicContact CD1-CG1 4.46Å; I685-V714 HydrophobicContact CD1-CG2 3.72Å; I685-V714 HydrophobicContact CG1-CB 4.17Å; I685-V714 HydrophobicContact CG1-CG1 4.2Å; I685-V714 HydrophobicContact CG1-CG2 3.76Å; I687-V714 HydrophobicContact CB-CG1 4.21Å; I687-V714 HydrophobicContact CG1-CG1 3.75Å; I712-V714 HydrophobicContact CG2-CG2 4.4Å; V714-F716 HydrophobicContact CG1-CE1 4.29Å; V714-F716 HydrophobicContact CG1-CE2 4.38Å; V714-F716 HydrophobicContact CG1-CZ 4.18Å; V714-V732 HydrophobicContact CB-CB 4.26Å; V714-V732 HydrophobicContact CB-CG1 3.88Å; V714-V732 HydrophobicContact CG1-CG1 4.14Å; V714-V732 WeakPolarHBondContact O-CG1 3.34Å; V714-F733 HydrophobicContact CG2-CB 3.97Å; V714-F733 HydrophobicContact CG2-CD2 3.8Å; V714-F733 HydrophobicContact CG2-CG 4.4Å; V714-F736 HydrophobicContact CB-CB 4.48Å; V714-F736 HydrophobicContact CG1-CB 4.08Å; V714-F736 HydrophobicContact CG1-CD2 4.32Å; V714-F736 HydrophobicContact CG1-CG 4.19Å; V714-F736 HydrophobicContact CG2-CB 4.04Å; V714-F736 HydrophobicContact CG2-CD1 4.09Å; V714-F736 HydrophobicContact CG2-CG 4.1Å
715K82.6Confident78.6Confident85 Ų8560.5 Ų60.537%0.3734%0.341SS..EExtended strand (participates in β ladder)trans-114.9116.8174.3-167.4-174.7-166-159.60109.1I685 T686 I687 D723I685-K715 PolarHBondContact O-N 3.46Å; T686-K715 CarbonylContact C-O 3.46Å; T686-K715 WeakPolarHBondContact CA-O 3.1Å; I687-K715 PolarHBondContact N-O 2.74Å; K715-D723 WeakPolarHBondContact CE-OD1 3.39Å; K715-D723 WeakPolarHBondContact CE-OD2 3.45Å; K715-D723 IonicContact NZ-OD1 3.68Å; K715-D723 PolarHBondContact NZ-OD1 3.23Å; K715-D723 IonicContact NZ-OD2 3.64Å; K715-D723 PolarHBondContact NZ-OD2 3.09Å
716F82Confident77.1Confident15 Ų1557.6 Ų57.67%0.06634%0.344CS..EExtended strand (participates in β ladder)trans-84.6132.6175.8-72.2-65000111.3I687 R689 M692 V714 E724 V732 F736I687-F716 HydrophobicContact CB-CD1 4.01Å; I687-F716 HydrophobicContact CB-CE1 4.04Å; I687-F716 HydrophobicContact CG2-CD1 4.09Å; I687-F716 HydrophobicContact CG2-CE1 3.81Å; I687-F716 WeakPolarHBondContact O-CA 3.42Å; R689-F716 HydrophobicContact CG-CD1 4.12Å; M692-F716 HydrophobicContact CE-CE1 3.62Å; M692-F716 HydrophobicContact CE-CZ 4.04Å; V714-F716 HydrophobicContact CG1-CE1 4.29Å; V714-F716 HydrophobicContact CG1-CE2 4.38Å; V714-F716 HydrophobicContact CG1-CZ 4.18Å; F716-E724 HydrophobicContact CB-CB 4.44Å; F716-E724 HydrophobicContact CB-CG 4.41Å; F716-E724 PolarHBondContact O-N 2.88Å; F716-E724 VanDerWaalsContact O-N 3.09Å; F716-V732 HydrophobicContact CD2-CG1 3.35Å; F716-V732 HydrophobicContact CE2-CG1 3.23Å; F716-V732 HydrophobicContact CG-CG1 4.49Å; F716-V732 HydrophobicContact CZ-CG1 4.29Å; F716-F736 HydrophobicContact CZ-CB 4.04Å
717V82.8Confident75.4Confident11 Ų1160.3 Ų60.37%0.06736%0.356CS..EExtended strand (participates in β ladder)trans-126146.3175.4-640000109.7T686 I687 R688 V722T686-V717 HydrophobicContact CG2-CB 4.31Å; T686-V717 HydrophobicContact CG2-CG1 3.6Å; T686-V717 HydrophobicContact CG2-CG2 3.67Å; I687-V717 PolarHBondContact O-N 2.92Å; R688-V717 WeakPolarHBondContact CA-O 3.26Å; R688-V717 HydrophobicContact CG-CG2 3.67Å; V717-V722 WeakPolarHBondContact CA-O 3.44Å
718N78.3Confident73.8Confident59 Ų5964 Ų6432%0.31637%0.373SS..  trans-75.3176.3174.468.317000111.6L720 G721 V722N718-L720 PolarHBondContact O-N 2.84Å; N718-L720 WeakPolarHBondContact OD1-CA 3.31Å; N718-L720 WeakPolarHBondContact OD1-CB 3.17Å; N718-L720 PolarHBondContact OD1-N 3.05Å; N718-L720 VanDerWaalsContact OD1-N 3.09Å; N718-G721 PolarHBondContact O-N 3.37Å; N718-G721 PolarHBondContact OD1-N 3.05Å; N718-V722 PolarHBondContact N-O 3.4Å; N718-V722 PolarHBondContact OD1-N 3.49Å; N718-V722 PolarHBondContact OD1-O 3.32Å
719D72.8Confident72Confident121 Ų12170.2 Ų70.265%0.64740%0.402SS*.THydrogen-bonded Turntrans-61.7-17.9-178.8-67.3-38.6000113.8S690S690-D719 WeakPolarHBondContact CB-OD1 3.32Å; S690-D719 PolarHBondContact OG-OD1 3.32Å
720L71.8Confident70.4Confident156 Ų15674.2 Ų74.282%0.81742%0.424SS*.THydrogen-bonded Turntrans-91.82.8175.6-60.6173000112.8N718 V722N718-L720 PolarHBondContact O-N 2.84Å; N718-L720 WeakPolarHBondContact OD1-CA 3.31Å; N718-L720 WeakPolarHBondContact OD1-CB 3.17Å; N718-L720 PolarHBondContact OD1-N 3.05Å; N718-L720 VanDerWaalsContact OD1-N 3.09Å; L720-V722 VanDerWaalsContact C-N 3.28Å; L720-V722 HydrophobicContact CB-CG2 4.35Å; L720-V722 PolarHBondContact O-N 3.14Å
721G68.4Low69.2Low50 Ų5074.1 Ų74.152%0.51542%0.423SS..SBendtrans75.313.4179.800000114.5N718N718-G721 PolarHBondContact O-N 3.37Å; N718-G721 PolarHBondContact OD1-N 3.05Å
722V74.4Confident68.7Low86 Ų8673.1 Ų73.152%0.52142%0.417SS..PPolyproline II helixtrans-86.7135176.7-174.20000109.2V717 N718 L720 E724V717-V722 WeakPolarHBondContact CA-O 3.44Å; N718-V722 PolarHBondContact N-O 3.4Å; N718-V722 PolarHBondContact OD1-N 3.49Å; N718-V722 PolarHBondContact OD1-O 3.32Å; L720-V722 VanDerWaalsContact C-N 3.28Å; L720-V722 HydrophobicContact CB-CG2 4.35Å; L720-V722 PolarHBondContact O-N 3.14Å; V722-E724 PolarHBondContact O-N 3.23Å
723D70.4Confident68.5Low88 Ų8873.8 Ų73.847%0.47142%0.42SS..BIsolated β-bridgetrans-57.7128.8177.8-63.7-19.8000111.2K715 A725K715-D723 WeakPolarHBondContact CE-OD1 3.39Å; K715-D723 WeakPolarHBondContact CE-OD2 3.45Å; K715-D723 IonicContact NZ-OD1 3.68Å; K715-D723 PolarHBondContact NZ-OD1 3.23Å; K715-D723 IonicContact NZ-OD2 3.64Å; K715-D723 PolarHBondContact NZ-OD2 3.09Å; D723-A725 PolarHBondContact O-N 2.72Å
724E70.2Confident68.4Low74 Ų7470.4 Ų70.435%0.34641%0.408SS..PPolyproline II helixtrans-68.7127.3169.2-69.9-175.7-178.600109.3R689 F716 V722 G726R689-E724 WeakPolarHBondContact CD-OE1 3.25Å; R689-E724 IonicContact CZ-OE2 3.53Å; R689-E724 IonicContact NE-OE1 3.65Å; R689-E724 PolarHBondContact NE-OE1 3.47Å; R689-E724 IonicContact NE-OE2 2.71Å; R689-E724 PolarHBondContact NE-OE2 3.43Å; R689-E724 IonicContact NH2-OE2 2.65Å; R689-E724 PolarHBondContact NH2-OE2 3.22Å; F716-E724 HydrophobicContact CB-CB 4.44Å; F716-E724 HydrophobicContact CB-CG 4.41Å; F716-E724 PolarHBondContact O-N 2.88Å; F716-E724 VanDerWaalsContact O-N 3.09Å; V722-E724 PolarHBondContact O-N 3.23Å; E724-G726 PolarHBondContact O-N 2.81Å; E724-G726 VanDerWaalsContact O-N 3.11Å
725A54.6Low68.2Low115 Ų11570.9 Ų70.995%0.9541%0.409SS*.  trans-70.3107.2179.800000110.6D723D723-A725 PolarHBondContact O-N 2.72Å
726G52.3Low68.2Low61 Ų6166.9 Ų66.963%0.62939%0.392SS*.  trans-157.1143.317800000111.8E724 D728E724-G726 PolarHBondContact O-N 2.81Å; E724-G726 VanDerWaalsContact O-N 3.11Å; G726-D728 PolarHBondContact O-N 3.38Å; G726-D728 VanDerWaalsContact O-N 3.14Å
727I47.9Very low68.4Low156 Ų15666.1 Ų66.180%0.839%0.389SS*.  trans-68.9108.5-175.4-64.1168000109.2Q729I727-Q729 PolarHBondContact O-N 3.22Å
728D50.8Low68.3Low99 Ų9966.7 Ų66.753%0.52939%0.391SS..  trans-94.390.7-165.9-163.116.2000110.7G726G726-D728 PolarHBondContact O-N 3.38Å; G726-D728 VanDerWaalsContact O-N 3.14Å
729Q50.8Low68.5Low134 Ų13467.8 Ų67.863%0.62639%0.394SS*.SBendtrans-153120.2151.9-69-147.4-3.700109.7I727 G731 F1039I727-Q729 PolarHBondContact O-N 3.22Å; Q729-G731 PolarHBondContact O-N 2.91Å; Q729-F1039 WeakPolarHBondContact O-CE1 3.35Å; Q729-F1039 WeakPolarHBondContact O-CZ 3.39Å
730D52.9Low69.2Low100 Ų10062.1 Ų62.154%0.53536%0.364SS..SBendtrans73.6-16.5159.6-55-23.4000122.9R713R713-D730 IonicContact NH2-OD1 3.8Å
731G59.1Low70Confident0 Ų055.1 Ų55.10%033%0.327CS..SBendtrans-92.5-27.3-17600000117Q729 F733 K734 C1038Q729-G731 PolarHBondContact O-N 2.91Å; G731-F733 VanDerWaalsContact C-N 3.3Å; G731-F733 PolarHBondContact O-N 3.01Å; G731-K734 PolarHBondContact O-N 3.4Å; G731-K734 VanDerWaalsContact O-N 3.15Å; G731-C1038 WeakPolarHBondContact O-CB 3.37Å
732V71.9Confident70.7Confident27 Ų2760.7 Ų60.716%0.16434%0.337CS..Hα-helixtrans-67.6-27.2-164.2-165.60000113.3V714 F716 E735 F736V714-V732 HydrophobicContact CB-CB 4.26Å; V714-V732 HydrophobicContact CB-CG1 3.88Å; V714-V732 HydrophobicContact CG1-CG1 4.14Å; V714-V732 WeakPolarHBondContact O-CG1 3.34Å; F716-V732 HydrophobicContact CD2-CG1 3.35Å; F716-V732 HydrophobicContact CE2-CG1 3.23Å; F716-V732 HydrophobicContact CG-CG1 4.49Å; F716-V732 HydrophobicContact CZ-CG1 4.29Å; V732-E735 WeakPolarHBondContact O-CB 3.48Å; V732-F736 PolarHBondContact O-N 3.38Å
733F80.3Confident71.4Confident21 Ų2160.3 Ų60.39%0.09233%0.328CS..Hα-helixtrans-67.5-37176.3177.1-106.1000113.1I712 V714 G731 F736 L737 K786 I792I712-F733 HydrophobicContact CB-CD2 3.66Å; I712-F733 HydrophobicContact CB-CE2 3.74Å; I712-F733 HydrophobicContact CB-CG 4.3Å; I712-F733 HydrophobicContact CB-CZ 4.44Å; I712-F733 HydrophobicContact CD1-CE2 3.8Å; I712-F733 HydrophobicContact CD1-CZ 4.12Å; I712-F733 HydrophobicContact CG1-CE2 4.33Å; I712-F733 HydrophobicContact CG2-CD2 3.63Å; I712-F733 HydrophobicContact CG2-CE2 3.82Å; I712-F733 WeakPolarHBondContact O-CB 3.42Å; V714-F733 HydrophobicContact CG2-CB 3.97Å; V714-F733 HydrophobicContact CG2-CD2 3.8Å; V714-F733 HydrophobicContact CG2-CG 4.4Å; G731-F733 VanDerWaalsContact C-N 3.3Å; G731-F733 PolarHBondContact O-N 3.01Å; F733-F736 HydrophobicContact CD2-CD1 4.36Å; F733-F736 HydrophobicContact CE2-CD1 4.41Å; F733-F736 PolarHBondContact O-N 3.05Å; F733-L737 HydrophobicContact CE1-CD2 4.08Å; F733-L737 HydrophobicContact CZ-CD2 4.27Å; F733-L737 VanDerWaalsContact O-CB 3.32Å; F733-L737 WeakPolarHBondContact O-CB 3.5Å; F733-L737 PolarHBondContact O-N 3.4Å; F733-K786 HydrophobicContact CE1-CG 4.17Å; F733-K786 HydrophobicContact CZ-CD 4.48Å; F733-K786 HydrophobicContact CZ-CG 3.73Å; F733-I792 HydrophobicContact CE1-CD1 4.36Å
734K78.9Confident72.3Confident16 Ų1656.1 Ų56.17%0.0731%0.306CS..Hα-helixtrans-65.1-43.5178.4-174.5-174168.4-148.50110.6G731 L737 E738 I792 T979 T1037 N1040G731-K734 PolarHBondContact O-N 3.4Å; G731-K734 VanDerWaalsContact O-N 3.15Å; K734-L737 PolarHBondContact O-N 3.25Å; K734-E738 WeakPolarHBondContact CE-OE1 3.42Å; K734-E738 IonicContact NZ-OE1 2.83Å; K734-E738 WeakPolarHBondContact O-CG 3.45Å; K734-E738 PolarHBondContact O-N 3.43Å; K734-I792 HydrophobicContact CG-CD1 4.43Å; K734-I792 HydrophobicContact CG-CG2 4.16Å; K734-T979 PolarHBondContact NZ-O 3.1Å; K734-T1037 PolarHBondContact NZ-O 2.83Å; K734-N1040 PolarHBondContact NZ-OD1 3.14Å
735E78.3Confident73.2Confident15 Ų1553.1 Ų53.17%0.0729%0.292CS..Hα-helixtrans-53.8-56.6174.4-162.9178.6167.100111.1R689 V732 L737 E738 E739 C1038R689-E735 IonicContact CZ-OE1 3.16Å; R689-E735 IonicContact NH1-OE1 2.86Å; R689-E735 IonicContact NH2-OE1 3.99Å; R689-E735 PolarHBondContact NH2-OE1 3.14Å; V732-E735 WeakPolarHBondContact O-CB 3.48Å; E735-L737 VanDerWaalsContact C-N 3.31Å; E735-L737 PolarHBondContact O-N 2.81Å; E735-E738 PolarHBondContact O-N 3.28Å; E735-E739 WeakPolarHBondContact O-CG 3.48Å; E735-E739 PolarHBondContact O-N 3.35Å; E735-C1038 HydrophobicContact CB-CB 4.42Å; E735-C1038 WeakPolarHBondContact CB-SG 3.27Å; E735-C1038 VanDerWaalsContact CD-SG 3.59Å; E735-C1038 VanDerWaalsContact CG-SG 3.55Å; E735-C1038 PolarHBondContact OE2-SG 3.29Å
736F83.8Confident74.9Confident0 Ų051.4 Ų51.40%027%0.267CS..Hα-helixtrans-57.2-43.4-179.6168-98.1000112.4I685 I687 M692 L700 V714 F716 V732 F733 I740I685-F736 HydrophobicContact CD1-CD1 4.32Å; I685-F736 HydrophobicContact CD1-CE1 3.87Å; I685-F736 HydrophobicContact CD1-CZ 3.92Å; I687-F736 HydrophobicContact CB-CD2 4.42Å; I687-F736 HydrophobicContact CB-CE2 4.35Å; I687-F736 HydrophobicContact CD1-CD2 4.4Å; I687-F736 HydrophobicContact CD1-CE2 3.59Å; I687-F736 HydrophobicContact CD1-CZ 4.02Å; I687-F736 HydrophobicContact CG1-CD2 3.91Å; I687-F736 HydrophobicContact CG1-CE2 3.6Å; I687-F736 HydrophobicContact CG1-CZ 4.31Å; I687-F736 HydrophobicContact CG2-CD2 3.98Å; I687-F736 HydrophobicContact CG2-CE2 3.88Å; M692-F736 HydrophobicContact CG-CD2 3.76Å; M692-F736 HydrophobicContact CG-CE2 3.78Å; M692-F736 HydrophobicContact SD-CD2 3.97Å; L700-F736 HydrophobicContact CD1-CE1 3.58Å; L700-F736 HydrophobicContact CD1-CZ 3.85Å; V714-F736 HydrophobicContact CB-CB 4.48Å; V714-F736 HydrophobicContact CG1-CB 4.08Å; V714-F736 HydrophobicContact CG1-CD2 4.32Å; V714-F736 HydrophobicContact CG1-CG 4.19Å; V714-F736 HydrophobicContact CG2-CB 4.04Å; V714-F736 HydrophobicContact CG2-CD1 4.09Å; V714-F736 HydrophobicContact CG2-CG 4.1Å; F716-F736 HydrophobicContact CZ-CB 4.04Å; V732-F736 PolarHBondContact O-N 3.38Å; F733-F736 HydrophobicContact CD2-CD1 4.36Å; F733-F736 HydrophobicContact CE2-CD1 4.41Å; F733-F736 PolarHBondContact O-N 3.05Å; F736-I740 HydrophobicContact CD1-CD1 4.41Å; F736-I740 HydrophobicContact CD2-CD1 4.06Å; F736-I740 HydrophobicContact CD2-CG1 4.38Å; F736-I740 HydrophobicContact CE1-CD1 3.7Å; F736-I740 HydrophobicContact CE2-CD1 3.3Å; F736-I740 HydrophobicContact CE2-CG1 4.05Å; F736-I740 HydrophobicContact CZ-CD1 3.11Å; F736-I740 HydrophobicContact CZ-CG1 4.22Å; F736-I740 WeakPolarHBondContact O-CB 3.28Å; F736-I740 WeakPolarHBondContact O-CG1 3.25Å; F736-I740 PolarHBondContact O-N 3.06Å
737L85.6Confident76.6Confident0 Ų051.3 Ų51.30%026%0.255CS..Hα-helixtrans-65.2-44.4179.8-176.362.5000111.9F733 K734 E735 I741 M783 A787 I792F733-L737 HydrophobicContact CE1-CD2 4.08Å; F733-L737 HydrophobicContact CZ-CD2 4.27Å; F733-L737 VanDerWaalsContact O-CB 3.32Å; F733-L737 WeakPolarHBondContact O-CB 3.5Å; F733-L737 PolarHBondContact O-N 3.4Å; K734-L737 PolarHBondContact O-N 3.25Å; E735-L737 VanDerWaalsContact C-N 3.31Å; E735-L737 PolarHBondContact O-N 2.81Å; L737-I741 HydrophobicContact CD1-CD1 3.9Å; L737-I741 HydrophobicContact CD1-CG1 4.46Å; L737-I741 HydrophobicContact CG-CD1 3.97Å; L737-I741 VanDerWaalsContact O-CB 3.29Å; L737-I741 WeakPolarHBondContact O-CB 3.4Å; L737-I741 WeakPolarHBondContact O-CG1 3.42Å; L737-I741 PolarHBondContact O-N 3.06Å; L737-M783 HydrophobicContact CD1-CB 3.85Å; L737-M783 HydrophobicContact CD1-CG 4.39Å; L737-M783 HydrophobicContact CD1-SD 4.22Å; L737-A787 HydrophobicContact CD2-CB 3.81Å; L737-I792 HydrophobicContact CD2-CD1 3.86Å; L737-I792 HydrophobicContact CD2-CG2 4.45Å
738E80.5Confident78.5Confident23 Ų2348.1 Ų48.111%0.10725%0.251CS..Hα-helixtrans-64.7-44.3178-73.4178170.800112K734 E735 I741 K742 S980K734-E738 WeakPolarHBondContact CE-OE1 3.42Å; K734-E738 IonicContact NZ-OE1 2.83Å; K734-E738 WeakPolarHBondContact O-CG 3.45Å; K734-E738 PolarHBondContact O-N 3.43Å; E735-E738 PolarHBondContact O-N 3.28Å; E738-I741 PolarHBondContact O-N 2.84Å; E738-K742 WeakPolarHBondContact O-CB 3.41Å; E738-K742 PolarHBondContact O-N 3.46Å; E738-S980 VanDerWaalsContact OE1-CB 3.26Å; E738-S980 WeakPolarHBondContact OE1-CB 3.3Å; E738-S980 WeakPolarHBondContact OE2-CB 3.49Å; E738-S980 PolarHBondContact OE2-OG 2.64Å
739E83.3Confident80.4Confident81 Ų8146 Ų4638%0.37924%0.24SC..Hα-helixtrans-67.3-41.7-179.7-72.3-166.5159.200112.3M692 E735 K742 K743M692-E739 HydrophobicContact CE-CB 4.29Å; M692-E739 WeakPolarHBondContact CE-OE2 3.17Å; M692-E739 HydrophobicContact SD-CB 3.54Å; M692-E739 VanDerWaalsContact SD-CB 3.54Å; E735-E739 WeakPolarHBondContact O-CG 3.48Å; E735-E739 PolarHBondContact O-N 3.35Å; E739-K742 PolarHBondContact O-N 3.26Å; E739-K743 WeakPolarHBondContact O-CB 3.05Å; E739-K743 PolarHBondContact O-N 2.78Å
740I87.9Confident82.3Confident3 Ų341.6 Ų41.62%0.01522%0.221CC..Hα-helixtrans-61-48.1172.9-76-169.2000110.9M692 L693 F736 K742 K743 V744 F779 M783M692-I740 HydrophobicContact CG-CD1 4.2Å; M692-I740 HydrophobicContact CG-CG1 3.75Å; M692-I740 HydrophobicContact SD-CG1 4.03Å; L693-I740 HydrophobicContact CD1-CG2 4.42Å; F736-I740 HydrophobicContact CD1-CD1 4.41Å; F736-I740 HydrophobicContact CD2-CD1 4.06Å; F736-I740 HydrophobicContact CD2-CG1 4.38Å; F736-I740 HydrophobicContact CE1-CD1 3.7Å; F736-I740 HydrophobicContact CE2-CD1 3.3Å; F736-I740 HydrophobicContact CE2-CG1 4.05Å; F736-I740 HydrophobicContact CZ-CD1 3.11Å; F736-I740 HydrophobicContact CZ-CG1 4.22Å; F736-I740 WeakPolarHBondContact O-CB 3.28Å; F736-I740 WeakPolarHBondContact O-CG1 3.25Å; F736-I740 PolarHBondContact O-N 3.06Å; I740-K742 VanDerWaalsContact C-N 3.33Å; I740-K742 PolarHBondContact O-N 2.86Å; I740-K743 PolarHBondContact O-N 3.17Å; I740-V744 HydrophobicContact CG2-CG2 4.16Å; I740-V744 VanDerWaalsContact O-CG2 3.31Å; I740-V744 WeakPolarHBondContact O-CG2 3.46Å; I740-V744 PolarHBondContact O-N 2.84Å; I740-F779 HydrophobicContact CD1-CE1 4.42Å; I740-F779 HydrophobicContact CD1-CZ 4.15Å; I740-F779 HydrophobicContact CG2-CE1 4.11Å; I740-M783 HydrophobicContact CG2-CG 4.47Å
741I87.1Confident84.1Confident8 Ų837 Ų374%0.04120%0.196CC..Hα-helixtrans-59.7-47.5-179.3-77.9175.9000109.6L737 E738 K743 V744 F745 A787 V794 V796L737-I741 HydrophobicContact CD1-CD1 3.9Å; L737-I741 HydrophobicContact CD1-CG1 4.46Å; L737-I741 HydrophobicContact CG-CD1 3.97Å; L737-I741 VanDerWaalsContact O-CB 3.29Å; L737-I741 WeakPolarHBondContact O-CB 3.4Å; L737-I741 WeakPolarHBondContact O-CG1 3.42Å; L737-I741 PolarHBondContact O-N 3.06Å; E738-I741 PolarHBondContact O-N 2.84Å; I741-K743 VanDerWaalsContact C-N 3.35Å; I741-K743 PolarHBondContact O-N 3.5Å; I741-V744 PolarHBondContact O-N 3.47Å; I741-F745 HydrophobicContact CB-CD2 4.4Å; I741-F745 HydrophobicContact CB-CE2 4.48Å; I741-F745 HydrophobicContact CG2-CD2 3.63Å; I741-F745 HydrophobicContact CG2-CE2 3.81Å; I741-F745 WeakPolarHBondContact O-CB 3.48Å; I741-F745 WeakPolarHBondContact O-CD2 3.37Å; I741-F745 PolarHBondContact O-N 3.43Å; I741-A787 HydrophobicContact CD1-CB 4.45Å; I741-V794 HydrophobicContact CD1-CB 4.4Å; I741-V794 HydrophobicContact CD1-CG1 3.74Å; I741-V794 HydrophobicContact CD1-CG2 4.49Å; I741-V794 HydrophobicContact CG2-CB 4.21Å; I741-V794 HydrophobicContact CG2-CG1 4.48Å; I741-V796 HydrophobicContact CG2-CG2 3.52Å
742K84.8Confident85.8Confident167 Ų16737.1 Ų37.173%0.72620%0.197SC*.Hα-helixtrans-59-43.9176.5-173.8-179.8177.2-172.80112.3E738 E739 I740 D746E738-K742 WeakPolarHBondContact O-CB 3.41Å; E738-K742 PolarHBondContact O-N 3.46Å; E739-K742 PolarHBondContact O-N 3.26Å; I740-K742 VanDerWaalsContact C-N 3.33Å; I740-K742 PolarHBondContact O-N 2.86Å; K742-D746 PolarHBondContact O-N 2.61Å
743K87.2Confident86.8Confident78 Ų7840.5 Ų40.534%0.33921%0.209SC..Hα-helixtrans-65.5-46179.7-173.7171.7179.8-174.80111.5L693 E739 I740 I741 D746 L749L693-K743 HydrophobicContact CB-CD 4.25Å; E739-K743 WeakPolarHBondContact O-CB 3.05Å; E739-K743 PolarHBondContact O-N 2.78Å; I740-K743 PolarHBondContact O-N 3.17Å; I741-K743 VanDerWaalsContact C-N 3.35Å; I741-K743 PolarHBondContact O-N 3.5Å; K743-D746 VanDerWaalsContact O-CB 3.28Å; K743-D746 WeakPolarHBondContact O-CB 3.28Å; K743-D746 PolarHBondContact O-N 2.87Å; K743-L749 HydrophobicContact CG-CD1 4.12Å; K743-L749 WeakPolarHBondContact O-CD1 3.38Å
744V89.8Confident87.3Confident1 Ų142 Ų421%0.00622%0.221CC..Hα-helixtrans-73.8-33.3-174.9179.30000113L693 I740 I741 D746 L751 F752 V780L693-V744 HydrophobicContact CD1-CG2 3.44Å; L693-V744 VanDerWaalsContact CD1-CG2 3.44Å; L693-V744 HydrophobicContact CD2-CG2 4.22Å; L693-V744 HydrophobicContact CG-CG2 4.47Å; I740-V744 HydrophobicContact CG2-CG2 4.16Å; I740-V744 VanDerWaalsContact O-CG2 3.31Å; I740-V744 WeakPolarHBondContact O-CG2 3.46Å; I740-V744 PolarHBondContact O-N 2.84Å; I741-V744 PolarHBondContact O-N 3.47Å; V744-D746 PolarHBondContact O-N 3.2Å; V744-L751 HydrophobicContact CG1-CD1 3.65Å; V744-F752 HydrophobicContact CG1-CE2 4.14Å; V744-V780 HydrophobicContact CB-CG2 4.06Å; V744-V780 HydrophobicContact CG1-CB 4.37Å; V744-V780 HydrophobicContact CG1-CG1 4.29Å; V744-V780 HydrophobicContact CG1-CG2 3.16Å; V744-V780 HydrophobicContact CG2-CG2 4.21Å
745F90.5Very high87.8Confident10 Ų1041.7 Ų41.74%0.04422%0.22CC..THydrogen-bonded Turntrans-80.6-1.2176.6-72.8-62.1000113.8I741 P747 F752 L761 V780 V796 F798I741-F745 HydrophobicContact CB-CD2 4.4Å; I741-F745 HydrophobicContact CB-CE2 4.48Å; I741-F745 HydrophobicContact CG2-CD2 3.63Å; I741-F745 HydrophobicContact CG2-CE2 3.81Å; I741-F745 WeakPolarHBondContact O-CB 3.48Å; I741-F745 WeakPolarHBondContact O-CD2 3.37Å; I741-F745 PolarHBondContact O-N 3.43Å; F745-P747 VanDerWaalsContact O-CD 3.32Å; F745-P747 WeakPolarHBondContact O-CD 3.31Å; F745-F752 AromaticContact CD1-CD1 3.93Å; F745-F752 HydrophobicContact CD1-CD1 3.93Å; F745-F752 AromaticContact CD1-CD2 3.54Å; F745-F752 HydrophobicContact CD1-CD2 3.54Å; F745-F752 HydrophobicContact CD1-CE1 4.03Å; F745-F752 AromaticContact CD1-CE2 3.64Å; F745-F752 HydrophobicContact CD1-CE2 3.64Å; F745-F752 AromaticContact CD1-CG 3.71Å; F745-F752 HydrophobicContact CD1-CG 3.71Å; F745-F752 AromaticContact CD1-CZ 3.89Å; F745-F752 HydrophobicContact CD1-CZ 3.89Å; F745-F752 AromaticContact CE1-CD1 3.93Å; F745-F752 HydrophobicContact CE1-CD1 3.93Å; F745-F752 AromaticContact CE1-CD2 3.86Å; F745-F752 HydrophobicContact CE1-CD2 3.86Å; F745-F752 AromaticContact CE1-CE1 3.54Å; F745-F752 HydrophobicContact CE1-CE1 3.54Å; F745-F752 AromaticContact CE1-CE2 3.46Å; F745-F752 HydrophobicContact CE1-CE2 3.46Å; F745-F752 VanDerWaalsContact CE1-CE2 3.46Å; F745-F752 HydrophobicContact CE1-CG 4.1Å; F745-F752 AromaticContact CE1-CZ 3.29Å; F745-F752 HydrophobicContact CE1-CZ 3.29Å; F745-F752 HydrophobicContact CZ-CE2 4.36Å; F745-F752 HydrophobicContact CZ-CZ 4.18Å; F745-L761 HydrophobicContact CB-CD1 3.86Å; F745-L761 HydrophobicContact CD1-CD1 4.18Å; F745-L761 HydrophobicContact CG-CD1 4.26Å; F745-V780 HydrophobicContact CE1-CG1 4.24Å; F745-V780 HydrophobicContact CE2-CG1 4.18Å; F745-V780 HydrophobicContact CZ-CG1 3.63Å; F745-V796 HydrophobicContact CB-CG1 4.34Å; F745-V796 HydrophobicContact CD1-CG1 4.01Å; F745-V796 HydrophobicContact CD2-CB 4.45Å; F745-V796 HydrophobicContact CD2-CG1 3.79Å; F745-V796 HydrophobicContact CD2-CG2 3.77Å; F745-V796 HydrophobicContact CE1-CG1 4.3Å; F745-V796 HydrophobicContact CE2-CG1 4.13Å; F745-V796 HydrophobicContact CE2-CG2 4.18Å; F745-V796 HydrophobicContact CG-CG1 3.77Å; F745-V796 HydrophobicContact CG-CG2 4.43Å; F745-V796 HydrophobicContact CZ-CG1 4.38Å; F745-F798 HydrophobicContact CD1-CE1 4.14Å; F745-F798 AromaticContact CE1-CE1 3.43Å; F745-F798 HydrophobicContact CE1-CE1 3.43Å; F745-F798 VanDerWaalsContact CE1-CE1 3.43Å; F745-F798 AromaticContact CE1-CZ 3.67Å; F745-F798 HydrophobicContact CE1-CZ 3.67Å; F745-F798 HydrophobicContact CE2-CZ 4.25Å; F745-F798 AromaticContact CZ-CE1 3.83Å; F745-F798 HydrophobicContact CZ-CE1 3.83Å; F745-F798 AromaticContact CZ-CZ 3.54Å; F745-F798 HydrophobicContact CZ-CZ 3.54Å
746D89Confident87.7Confident80 Ų8044.6 Ų44.643%0.42824%0.242SC..  trans-65.3119.7172.1-170.1-21.1000110.4K742 K743 V744 A748 L749K742-D746 PolarHBondContact O-N 2.61Å; K743-D746 VanDerWaalsContact O-CB 3.28Å; K743-D746 WeakPolarHBondContact O-CB 3.28Å; K743-D746 PolarHBondContact O-N 2.87Å; V744-D746 PolarHBondContact O-N 3.2Å; D746-A748 PolarHBondContact O-N 3.39Å; D746-A748 VanDerWaalsContact O-N 3.09Å; D746-A748 VanDerWaalsContact OD1-CB 3.26Å; D746-A748 WeakPolarHBondContact OD1-CB 3.36Å; D746-A748 PolarHBondContact OD1-N 3.03Å; D746-L749 PolarHBondContact O-N 3.31Å
747P88.4Confident86.9Confident59 Ų5948 Ų4838%0.38328%0.276SS..G310 helixtrans-57-23.4176.6-25.135.7000114F745 L749 N750 T754 L761F745-P747 VanDerWaalsContact O-CD 3.32Å; F745-P747 WeakPolarHBondContact O-CD 3.31Å; P747-L749 PolarHBondContact O-N 3.04Å; P747-N750 PolarHBondContact O-N 3.37Å; P747-T754 HydrophobicContact CG-CG2 3.92Å; P747-L761 HydrophobicContact CG-CD2 4.2Å
748A88.7Confident86.2Confident88 Ų8853.9 Ų53.973%0.72731%0.308SS*.G310 helixtrans-62.9-27.5176.700000113.1D746 N750D746-A748 PolarHBondContact O-N 3.39Å; D746-A748 VanDerWaalsContact O-N 3.09Å; D746-A748 VanDerWaalsContact OD1-CB 3.26Å; D746-A748 WeakPolarHBondContact OD1-CB 3.36Å; D746-A748 PolarHBondContact OD1-N 3.03Å; A748-N750 VanDerWaalsContact C-N 3.25Å; A748-N750 PolarHBondContact O-N 3.3Å
749L89.1Confident86.3Confident55 Ų5559.8 Ų59.829%0.28834%0.336SS..G310 helixtrans-76.9-9.1173.1-71.3-173.8000113.1L693 K743 D746 P747 L751 H770L693-L749 HydrophobicContact CD2-CD1 4.47Å; K743-L749 HydrophobicContact CG-CD1 4.12Å; K743-L749 WeakPolarHBondContact O-CD1 3.38Å; D746-L749 PolarHBondContact O-N 3.31Å; P747-L749 PolarHBondContact O-N 3.04Å; L749-L751 PolarHBondContact O-N 3Å; L749-H770 PolarHBondContact O-CE1 3.37Å; L749-H770 PolarHBondContact O-NE2 3.37Å
750N91Very high86.6Confident42 Ų4260.1 Ų60.123%0.22533%0.333CS..THydrogen-bonded Turntrans54.823.1-178.1-166.339.7000115P747 A748 S764 T766 S767P747-N750 PolarHBondContact O-N 3.37Å; A748-N750 VanDerWaalsContact C-N 3.25Å; A748-N750 PolarHBondContact O-N 3.3Å; N750-S764 VanDerWaalsContact O-CB 3.29Å; N750-S764 WeakPolarHBondContact O-CB 3.09Å; N750-S764 PolarHBondContact OD1-OG 2.77Å; N750-T766 PolarHBondContact ND2-O 3.23Å; N750-T766 PolarHBondContact ND2-OG1 3.06Å; N750-T766 VanDerWaalsContact ND2-OG1 3.16Å; N750-T766 PolarHBondContact OD1-OG1 3.25Å; N750-S767 WeakPolarHBondContact O-CA 3.22Å
751L92.1Very high86.9Confident4 Ų460.6 Ų60.62%0.02134%0.336CS..SBendtrans-81.5-40.2165.1-69.7175.8000110.1V744 L749 S764 L776 F777V744-L751 HydrophobicContact CG1-CD1 3.65Å; L749-L751 PolarHBondContact O-N 3Å; L751-S764 WeakPolarHBondContact O-CB 3.22Å; L751-S764 PolarHBondContact O-N 3.14Å; L751-L776 HydrophobicContact CD1-CB 4.49Å; L751-L776 HydrophobicContact CD1-CD1 4.43Å; L751-L776 HydrophobicContact CD2-CD1 4.4Å; L751-F777 HydrophobicContact CB-CZ 4.5Å; L751-F777 HydrophobicContact CD2-CE2 4.33Å; L751-F777 WeakPolarHBondContact O-CZ 3.47Å
752F94.3Very high87.2Confident2 Ų260.8 Ų60.81%0.00934%0.336CS..EExtended strand (participates in β ladder)trans-119.2155.3175.4-67.8-93.4000110.7V744 F745 L761 Y762 P763 F777 V780 L901V744-F752 HydrophobicContact CG1-CE2 4.14Å; F745-F752 AromaticContact CD1-CD1 3.93Å; F745-F752 HydrophobicContact CD1-CD1 3.93Å; F745-F752 AromaticContact CD1-CD2 3.54Å; F745-F752 HydrophobicContact CD1-CD2 3.54Å; F745-F752 HydrophobicContact CD1-CE1 4.03Å; F745-F752 AromaticContact CD1-CE2 3.64Å; F745-F752 HydrophobicContact CD1-CE2 3.64Å; F745-F752 AromaticContact CD1-CG 3.71Å; F745-F752 HydrophobicContact CD1-CG 3.71Å; F745-F752 AromaticContact CD1-CZ 3.89Å; F745-F752 HydrophobicContact CD1-CZ 3.89Å; F745-F752 AromaticContact CE1-CD1 3.93Å; F745-F752 HydrophobicContact CE1-CD1 3.93Å; F745-F752 AromaticContact CE1-CD2 3.86Å; F745-F752 HydrophobicContact CE1-CD2 3.86Å; F745-F752 AromaticContact CE1-CE1 3.54Å; F745-F752 HydrophobicContact CE1-CE1 3.54Å; F745-F752 AromaticContact CE1-CE2 3.46Å; F745-F752 HydrophobicContact CE1-CE2 3.46Å; F745-F752 VanDerWaalsContact CE1-CE2 3.46Å; F745-F752 HydrophobicContact CE1-CG 4.1Å; F745-F752 AromaticContact CE1-CZ 3.29Å; F745-F752 HydrophobicContact CE1-CZ 3.29Å; F745-F752 HydrophobicContact CZ-CE2 4.36Å; F745-F752 HydrophobicContact CZ-CZ 4.18Å; F752-L761 HydrophobicContact CB-CD2 4.07Å; F752-Y762 CarbonylContact C-O 3.54Å; F752-Y762 VanDerWaalsContact CA-O 3.3Å; F752-Y762 WeakPolarHBondContact CA-O 3.36Å; F752-Y762 WeakPolarHBondContact CD1-O 3.27Å; F752-P763 HydrophobicContact CE1-CG 4.17Å; F752-F777 HydrophobicContact CD2-CE1 4.49Å; F752-F777 HydrophobicContact CE1-CE1 4.02Å; F752-F777 HydrophobicContact CE2-CD1 4.29Å; F752-F777 AromaticContact CE2-CE1 3.85Å; F752-F777 HydrophobicContact CE2-CE1 3.85Å; F752-F777 AromaticContact CZ-CD1 3.89Å; F752-F777 HydrophobicContact CZ-CD1 3.89Å; F752-F777 AromaticContact CZ-CE1 3.57Å; F752-F777 HydrophobicContact CZ-CE1 3.57Å; F752-V780 HydrophobicContact CE2-CG1 4.28Å; F752-V780 HydrophobicContact CZ-CG1 4.25Å; F752-L901 HydrophobicContact CE1-CD1 4.17Å; F752-L901 HydrophobicContact CZ-CD1 3.71Å
753K91.8Very high87.7Confident97 Ų9752.8 Ų52.842%0.42230%0.301SS..EExtended strand (participates in β ladder)trans-127.4153.5176-174.7169.7175.9-176.80109.3L761 Y762K753-L761 WeakPolarHBondContact O-CA 2.89Å; K753-Y762 HydrophobicContact CB-CE1 4.18Å; K753-Y762 HydrophobicContact CB-CE2 4.29Å; K753-Y762 WeakPolarHBondContact CD-OH 3.4Å; K753-Y762 HydrophobicContact CG-CE1 4.27Å; K753-Y762 PolarHBondContact N-O 3.02Å; K753-Y762 VanDerWaalsContact O-CD1 3.24Å; K753-Y762 WeakPolarHBondContact O-CD1 3.49Å; K753-Y762 PolarHBondContact O-N 3.46Å
754T91.7Very high88Confident54 Ų5449.1 Ų49.133%0.33129%0.286SS..EExtended strand (participates in β ladder)trans-91.8147.1176.449.30000111.8P747 R760 L761 Y762P747-T754 HydrophobicContact CG-CG2 3.92Å; T754-R760 CarbonylContact C-O 3.54Å; T754-R760 VanDerWaalsContact CA-O 3.26Å; T754-R760 WeakPolarHBondContact CA-O 3.28Å; T754-L761 HydrophobicContact CG2-CD2 3.94Å; T754-Y762 WeakPolarHBondContact O-CE1 3.47Å
755T88.9Confident88.1Confident9 Ų949.9 Ų49.96%0.05529%0.29CS..  trans-71.6155.417356.90000111.4G757 R760 Y762 A799 F801 S823 L824T755-G757 PolarHBondContact O-N 3.4Å; T755-G757 VanDerWaalsContact O-N 3.12Å; T755-R760 HydrophobicContact CG2-CB 4.24Å; T755-R760 WeakPolarHBondContact CG2-O 3.29Å; T755-R760 PolarHBondContact N-O 3.19Å; T755-R760 PolarHBondContact OG1-N 3.18Å; T755-Y762 HydrophobicContact CG2-CD1 3.78Å; T755-Y762 HydrophobicContact CG2-CE1 3.93Å; T755-A799 HydrophobicContact CG2-CB 3.81Å; T755-F801 HydrophobicContact CG2-CE1 4.38Å; T755-S823 WeakPolarHBondContact CG2-O 3.39Å; T755-L824 WeakPolarHBondContact CB-O 3.13Å
756S75.8Confident88.1Confident76 Ų7651.1 Ų51.153%0.53130%0.299SS..BIsolated β-bridgetrans-72.5101.8176.4-54.40000109.6L824S756-L824 PolarHBondContact N-O 3.29Å
757G68.8Low88.2Confident70 Ų7047.3 Ų47.372%0.72228%0.278SS*.THydrogen-bonded Turntrans122.3-66.5175.100000114.5T755T755-G757 PolarHBondContact O-N 3.4Å; T755-G757 VanDerWaalsContact O-N 3.12Å
758D69.6Low88.3Confident125 Ų12549.9 Ų49.967%0.66828%0.281SS*.THydrogen-bonded Turntrans-90.54.9-170.8-77.7-0.3000114.6R760D758-R760 HydrophobicContact CB-CG 4Å; D758-R760 PolarHBondContact O-N 3.39Å; D758-R760 IonicContact OD2-NE 3.52Å
759E83.4Confident88.2Confident147 Ų14749.9 Ų49.969%0.68727%0.268SS*.  trans50.930-178.7-60-172.8157.200114.5
760R89.7Confident88.1Confident88 Ų8850.4 Ų50.433%0.33227%0.269SS..  trans-82.8144.3-179.6-67.5178.6175.9-1063.1111.5T754 T755 D758 P797 F798 A799T754-R760 CarbonylContact C-O 3.54Å; T754-R760 VanDerWaalsContact CA-O 3.26Å; T754-R760 WeakPolarHBondContact CA-O 3.28Å; T755-R760 HydrophobicContact CG2-CB 4.24Å; T755-R760 WeakPolarHBondContact CG2-O 3.29Å; T755-R760 PolarHBondContact N-O 3.19Å; T755-R760 PolarHBondContact OG1-N 3.18Å; D758-R760 HydrophobicContact CB-CG 4Å; D758-R760 PolarHBondContact O-N 3.39Å; D758-R760 IonicContact OD2-NE 3.52Å; R760-P797 CarbonylContact C-O 3.57Å; R760-P797 WeakPolarHBondContact CA-O 3.48Å; R760-F798 PolarHBondContact NH1-O 3.32Å; R760-F798 VanDerWaalsContact NH1-O 3.08Å; R760-A799 HydrophobicContact CB-CB 4.11Å
761L92.7Very high87.8Confident12 Ų1257.2 Ų57.26%0.06330%0.299CS..EExtended strand (participates in β ladder)trans-89.7139.2-172.5-66.4164.2000113.2F745 P747 F752 K753 T754 V796 P797 F798 A799F745-L761 HydrophobicContact CB-CD1 3.86Å; F745-L761 HydrophobicContact CD1-CD1 4.18Å; F745-L761 HydrophobicContact CG-CD1 4.26Å; P747-L761 HydrophobicContact CG-CD2 4.2Å; F752-L761 HydrophobicContact CB-CD2 4.07Å; K753-L761 WeakPolarHBondContact O-CA 2.89Å; T754-L761 HydrophobicContact CG2-CD2 3.94Å; L761-V796 HydrophobicContact CD1-CG1 3.7Å; L761-P797 PolarHBondContact N-O 2.87Å; L761-F798 HydrophobicContact CB-CD1 4.38Å; L761-A799 PolarHBondContact O-N 2.92Å
762Y94.1Very high87.6Confident12 Ų1261 Ų615%0.04732%0.32CS..EExtended strand (participates in β ladder)trans-145.6160.9168.566.8-82.8000110.4F752 K753 T754 T755 S764 F801 L824F752-Y762 CarbonylContact C-O 3.54Å; F752-Y762 VanDerWaalsContact CA-O 3.3Å; F752-Y762 WeakPolarHBondContact CA-O 3.36Å; F752-Y762 WeakPolarHBondContact CD1-O 3.27Å; K753-Y762 HydrophobicContact CB-CE1 4.18Å; K753-Y762 HydrophobicContact CB-CE2 4.29Å; K753-Y762 WeakPolarHBondContact CD-OH 3.4Å; K753-Y762 HydrophobicContact CG-CE1 4.27Å; K753-Y762 PolarHBondContact N-O 3.02Å; K753-Y762 VanDerWaalsContact O-CD1 3.24Å; K753-Y762 WeakPolarHBondContact O-CD1 3.49Å; K753-Y762 PolarHBondContact O-N 3.46Å; T754-Y762 WeakPolarHBondContact O-CE1 3.47Å; T755-Y762 HydrophobicContact CG2-CD1 3.78Å; T755-Y762 HydrophobicContact CG2-CE1 3.93Å; Y762-S764 PolarHBondContact O-N 3.38Å; Y762-F801 HydrophobicContact CD1-CE1 4.38Å; Y762-F801 HydrophobicContact CD1-CZ 4.19Å; Y762-F801 AromaticContact CD2-CZ 3.89Å; Y762-F801 HydrophobicContact CD2-CZ 3.89Å; Y762-F801 HydrophobicContact CG-CE1 4.22Å; Y762-F801 AromaticContact CG-CZ 3.62Å; Y762-F801 HydrophobicContact CG-CZ 3.62Å; Y762-L824 HydrophobicContact CD1-CD1 4.26Å; Y762-L824 HydrophobicContact CD2-CD1 4.46Å; Y762-L824 HydrophobicContact CE1-CD1 3.79Å; Y762-L824 HydrophobicContact CE2-CD1 4.03Å
763P95.4Very high87.5Confident0 Ų063 Ų630%033%0.328CS..EExtended strand (participates in β ladder)trans-57.5135.3179.9-26.835.7000112.6F752 P765 F777 F802 I894 Q897F752-P763 HydrophobicContact CE1-CG 4.17Å; P763-P765 WeakPolarHBondContact O-CD 3.43Å; P763-F777 HydrophobicContact CB-CE1 3.84Å; P763-F777 HydrophobicContact CB-CZ 3.95Å; P763-F777 HydrophobicContact CG-CE1 4.29Å; P763-F802 VanDerWaalsContact CD-CD2 3.44Å; P763-F802 VanDerWaalsContact CD-CE2 3.47Å; P763-F802 HydrophobicContact CG-CD2 3.9Å; P763-F802 HydrophobicContact CG-CE2 3.42Å; P763-F802 VanDerWaalsContact CG-CE2 3.42Å; P763-F802 HydrophobicContact CG-CZ 3.9Å; P763-I894 HydrophobicContact CB-CB 4.34Å; P763-I894 HydrophobicContact CB-CG2 4.39Å; P763-I894 VanDerWaalsContact O-CG2 3.29Å; P763-I894 WeakPolarHBondContact O-CG2 3.4Å; P763-Q897 HydrophobicContact CB-CB 3.84Å
764S93.4Very high87.6Confident1 Ų161.1 Ų61.11%0.00732%0.322CS..  trans-71.5128177.8-178.50000110.8N750 L751 Y762 T766 S767 Q897N750-S764 VanDerWaalsContact O-CB 3.29Å; N750-S764 WeakPolarHBondContact O-CB 3.09Å; N750-S764 PolarHBondContact OD1-OG 2.77Å; L751-S764 WeakPolarHBondContact O-CB 3.22Å; L751-S764 PolarHBondContact O-N 3.14Å; Y762-S764 PolarHBondContact O-N 3.38Å; S764-T766 PolarHBondContact O-N 3.43Å; S764-T766 PolarHBondContact OG-N 2.92Å; S764-T766 PolarHBondContact OG-OG1 3.05Å; S764-S767 VanDerWaalsContact O-CB 3.31Å; S764-S767 WeakPolarHBondContact O-CB 3.26Å; S764-S767 PolarHBondContact O-N 3.16Å; S764-S767 PolarHBondContact O-OG 3.3Å; S764-Q897 PolarHBondContact O-NE2 3.48Å
765P91Very high87.6Confident16 Ų1661.4 Ų61.410%0.10432%0.319CS..THydrogen-bonded Turntrans-60-29.1173-2333.6000113P763 Y768 Q893 I894P763-P765 WeakPolarHBondContact O-CD 3.43Å; P765-Y768 VanDerWaalsContact O-CD1 3.24Å; P765-Y768 WeakPolarHBondContact O-CD1 3.33Å; P765-Y768 VanDerWaalsContact O-CE1 3.29Å; P765-Y768 WeakPolarHBondContact O-CE1 3.03Å; P765-Q893 HydrophobicContact CB-CB 4.41Å; P765-Q893 HydrophobicContact CB-CG 4.26Å; P765-Q893 HydrophobicContact CG-CG 4.07Å; P765-I894 HydrophobicContact CG-CG2 4Å
766T90.9Very high87.7Confident36 Ų3662.4 Ų62.422%0.22132%0.324CS..THydrogen-bonded Turntrans-95.113.4-178.959.90000113.6N750 S764 Y768 I769 V855N750-T766 PolarHBondContact ND2-O 3.23Å; N750-T766 PolarHBondContact ND2-OG1 3.06Å; N750-T766 VanDerWaalsContact ND2-OG1 3.16Å; N750-T766 PolarHBondContact OD1-OG1 3.25Å; S764-T766 PolarHBondContact O-N 3.43Å; S764-T766 PolarHBondContact OG-N 2.92Å; S764-T766 PolarHBondContact OG-OG1 3.05Å; T766-Y768 HydrophobicContact CG2-CE1 4.5Å; T766-Y768 PolarHBondContact O-N 3.21Å; T766-Y768 VanDerWaalsContact O-N 3.1Å; T766-I769 WeakPolarHBondContact O-CD1 3.45Å; T766-I769 VanDerWaalsContact O-CG1 3.25Å; T766-I769 WeakPolarHBondContact O-CG1 3.03Å; T766-I769 PolarHBondContact O-N 2.9Å; T766-V855 HydrophobicContact CG2-CG1 4.39Å
767S92.5Very high88.7Confident0 Ų058.9 Ų58.90%030%0.299CS..G310 helixtrans-60.6-19.1177.947.70000114.1N750 S764 I769 H770 Y773 Q897N750-S767 WeakPolarHBondContact O-CA 3.22Å; S764-S767 VanDerWaalsContact O-CB 3.31Å; S764-S767 WeakPolarHBondContact O-CB 3.26Å; S764-S767 PolarHBondContact O-N 3.16Å; S764-S767 PolarHBondContact O-OG 3.3Å; S767-I769 PolarHBondContact O-N 2.83Å; S767-H770 PolarHBondContact O-N 3.07Å; S767-Y773 WeakPolarHBondContact O-CB 3.38Å; S767-Q897 WeakPolarHBondContact OG-CG 3.23Å; S767-Q897 PolarHBondContact OG-NE2 3.05Å; S767-Q897 VanDerWaalsContact OG-NE2 3.1Å
768Y89Confident89.9Confident113 Ų11358.2 Ų58.244%0.44328%0.277SS..G310 helixtrans-62-9.7174.963-101.9000114.3P765 T766 H770 V855P765-Y768 VanDerWaalsContact O-CD1 3.24Å; P765-Y768 WeakPolarHBondContact O-CD1 3.33Å; P765-Y768 VanDerWaalsContact O-CE1 3.29Å; P765-Y768 WeakPolarHBondContact O-CE1 3.03Å; T766-Y768 HydrophobicContact CG2-CE1 4.5Å; T766-Y768 PolarHBondContact O-N 3.21Å; T766-Y768 VanDerWaalsContact O-N 3.1Å; Y768-H770 PolarHBondContact O-N 3.5Å; Y768-V855 VanDerWaalsContact OH-CG1 3.25Å; Y768-V855 WeakPolarHBondContact OH-CG1 3.35Å
769I87.2Confident90.9Very high88 Ų8852.4 Ų52.445%0.45125%0.246SC..G310 helixtrans-58.2-27.5169-67.9168.1000110.9T766 S767 M856T766-I769 WeakPolarHBondContact O-CD1 3.45Å; T766-I769 VanDerWaalsContact O-CG1 3.25Å; T766-I769 WeakPolarHBondContact O-CG1 3.03Å; T766-I769 PolarHBondContact O-N 2.9Å; S767-I769 PolarHBondContact O-N 2.83Å; I769-M856 HydrophobicContact CD1-SD 3.75Å; I769-M856 HydrophobicContact CG1-SD 4.48Å
770H86.4Confident91.4Very high67 Ų6745.7 Ų45.731%0.3122%0.215SC..SBendtrans-87.2128.3170.7-60.5-81.4000110.7L749 S767 Y768 N772 Y773L749-H770 PolarHBondContact O-CE1 3.37Å; L749-H770 PolarHBondContact O-NE2 3.37Å; S767-H770 PolarHBondContact O-N 3.07Å; Y768-H770 PolarHBondContact O-N 3.5Å; H770-N772 VanDerWaalsContact C-N 3.27Å; H770-N772 PolarHBondContact O-N 2.88Å; H770-Y773 WeakPolarHBondContact O-CB 3.46Å; H770-Y773 VanDerWaalsContact O-CD1 3.26Å; H770-Y773 WeakPolarHBondContact O-CD1 3.19Å; H770-Y773 PolarHBondContact O-N 3.01Å
771E85.3Confident91.6Very high184 Ų18441.5 Ų41.586%0.8620%0.199SC*.THydrogen-bonded Turntrans-57.6-36.6-177.7-64.2-175.8167.600113.7
772N87.9Confident91.6Very high84 Ų8442.3 Ų42.345%0.44920%0.203SC..THydrogen-bonded Turntrans-107.726.5-176.4-66.7-50.9000113.6H770 L774 Q775 L776H770-N772 VanDerWaalsContact C-N 3.27Å; H770-N772 PolarHBondContact O-N 2.88Å; N772-L774 VanDerWaalsContact C-N 3.34Å; N772-L774 PolarHBondContact O-N 2.86Å; N772-Q775 VanDerWaalsContact C-OE1 3.29Å; N772-Q775 PolarHBondContact O-N 3.16Å; N772-Q775 PolarHBondContact O-OE1 2.97Å; N772-L776 WeakPolarHBondContact O-CG 3.37Å; N772-L776 PolarHBondContact O-N 3.49Å
773Y91.6Very high91.5Very high45 Ų4541.9 Ų41.918%0.17620%0.201CC..Hα-helixtrans-55.9-42.2-17374.9-74.9000113.7S767 H770 Q775 L776 F777 Q897S767-Y773 WeakPolarHBondContact O-CB 3.38Å; H770-Y773 WeakPolarHBondContact O-CB 3.46Å; H770-Y773 VanDerWaalsContact O-CD1 3.26Å; H770-Y773 WeakPolarHBondContact O-CD1 3.19Å; H770-Y773 PolarHBondContact O-N 3.01Å; Y773-Q775 PolarHBondContact O-N 3.41Å; Y773-L776 WeakPolarHBondContact O-CB 3.3Å; Y773-L776 PolarHBondContact O-N 2.96Å; Y773-F777 HydrophobicContact CD2-CD2 4.23Å; Y773-F777 HydrophobicContact CD2-CE2 4.09Å; Y773-F777 WeakPolarHBondContact O-CD2 3.19Å; Y773-F777 PolarHBondContact O-N 3.23Å; Y773-Q897 HydrophobicContact CD2-CG 4.05Å; Y773-Q897 HydrophobicContact CE2-CG 3.96Å
774L94.4Very high91.4Very high56 Ų5641.9 Ų41.929%0.29320%0.201SC..Hα-helixtrans-63.5-44.5-179.4-66178.4000112N772 L776 F777 E778 S896 A900N772-L774 VanDerWaalsContact C-N 3.34Å; N772-L774 PolarHBondContact O-N 2.86Å; L774-L776 VanDerWaalsContact C-N 3.29Å; L774-L776 PolarHBondContact O-N 3.33Å; L774-F777 PolarHBondContact O-N 3.49Å; L774-E778 PolarHBondContact O-N 3.35Å; L774-S896 WeakPolarHBondContact CD2-O 3.07Å; L774-A900 HydrophobicContact CB-CB 4.4Å; L774-A900 HydrophobicContact CD2-CB 4.36Å; L774-A900 VanDerWaalsContact O-CB 3.31Å; L774-A900 WeakPolarHBondContact O-CB 3.44Å
775Q92Very high91.3Very high60 Ų6041.9 Ų41.928%0.2820%0.201SC..Hα-helixtrans-68.6-33.2179.2-59.684-1200110.9Y697 N772 Y773 E778 F779Y697-Q775 HydrophobicContact CE2-CB 4.25Å; Y697-Q775 WeakPolarHBondContact OH-CB 3.32Å; N772-Q775 VanDerWaalsContact C-OE1 3.29Å; N772-Q775 PolarHBondContact O-N 3.16Å; N772-Q775 PolarHBondContact O-OE1 2.97Å; Y773-Q775 PolarHBondContact O-N 3.41Å; Q775-E778 PolarHBondContact O-N 2.74Å; Q775-F779 WeakPolarHBondContact O-CB 3.4Å; Q775-F779 PolarHBondContact O-N 2.87Å
776L91.5Very high91.4Very high31 Ų3141.2 Ų41.216%0.16220%0.196CC..Hα-helixtrans-63.4-45.7170.9-72168.9000111.1Y697 L751 N772 Y773 L774 E778 F779 V780Y697-L776 HydrophobicContact CD2-CD2 3.88Å; Y697-L776 HydrophobicContact CE2-CD2 4.04Å; Y697-L776 HydrophobicContact CG-CD2 4.35Å; L751-L776 HydrophobicContact CD1-CB 4.49Å; L751-L776 HydrophobicContact CD1-CD1 4.43Å; L751-L776 HydrophobicContact CD2-CD1 4.4Å; N772-L776 WeakPolarHBondContact O-CG 3.37Å; N772-L776 PolarHBondContact O-N 3.49Å; Y773-L776 WeakPolarHBondContact O-CB 3.3Å; Y773-L776 PolarHBondContact O-N 2.96Å; L774-L776 VanDerWaalsContact C-N 3.29Å; L774-L776 PolarHBondContact O-N 3.33Å; L776-E778 VanDerWaalsContact C-N 3.34Å; L776-E778 PolarHBondContact O-N 3.45Å; L776-F779 WeakPolarHBondContact O-CB 3.24Å; L776-F779 PolarHBondContact O-N 3.03Å; L776-F779 VanDerWaalsContact O-N 3.16Å; L776-V780 WeakPolarHBondContact O-CG2 3.35Å; L776-V780 PolarHBondContact O-N 3.42Å
777F94.9Very high91.3Very high1 Ų139.5 Ų39.50%0.00419%0.186CC..Hα-helixtrans-59.3-42.2174.2-81.7-69.7000112.7L751 F752 P763 Y773 L774 F779 V780 G781 Q897 A900 L901L751-F777 HydrophobicContact CB-CZ 4.5Å; L751-F777 HydrophobicContact CD2-CE2 4.33Å; L751-F777 WeakPolarHBondContact O-CZ 3.47Å; F752-F777 HydrophobicContact CD2-CE1 4.49Å; F752-F777 HydrophobicContact CE1-CE1 4.02Å; F752-F777 HydrophobicContact CE2-CD1 4.29Å; F752-F777 AromaticContact CE2-CE1 3.85Å; F752-F777 HydrophobicContact CE2-CE1 3.85Å; F752-F777 AromaticContact CZ-CD1 3.89Å; F752-F777 HydrophobicContact CZ-CD1 3.89Å; F752-F777 AromaticContact CZ-CE1 3.57Å; F752-F777 HydrophobicContact CZ-CE1 3.57Å; P763-F777 HydrophobicContact CB-CE1 3.84Å; P763-F777 HydrophobicContact CB-CZ 3.95Å; P763-F777 HydrophobicContact CG-CE1 4.29Å; Y773-F777 HydrophobicContact CD2-CD2 4.23Å; Y773-F777 HydrophobicContact CD2-CE2 4.09Å; Y773-F777 WeakPolarHBondContact O-CD2 3.19Å; Y773-F777 PolarHBondContact O-N 3.23Å; L774-F777 PolarHBondContact O-N 3.49Å; F777-F779 VanDerWaalsContact C-N 3.34Å; F777-F779 PolarHBondContact O-N 3.05Å; F777-V780 PolarHBondContact O-N 2.92Å; F777-G781 PolarHBondContact O-N 3.48Å; F777-Q897 HydrophobicContact CD1-CB 4.42Å; F777-Q897 HydrophobicContact CD2-CB 3.78Å; F777-Q897 HydrophobicContact CD2-CG 3.88Å; F777-Q897 HydrophobicContact CE1-CB 4.2Å; F777-Q897 HydrophobicContact CE2-CB 3.56Å; F777-Q897 HydrophobicContact CE2-CG 3.34Å; F777-Q897 HydrophobicContact CG-CB 4.22Å; F777-Q897 HydrophobicContact CZ-CB 3.76Å; F777-Q897 HydrophobicContact CZ-CG 3.79Å; F777-A900 HydrophobicContact CB-CB 3.97Å; F777-L901 HydrophobicContact CB-CB 4.22Å; F777-L901 HydrophobicContact CD1-CB 4.37Å; F777-L901 HydrophobicContact CD1-CD1 4.12Å; F777-L901 WeakPolarHBondContact O-CA 3.16Å
778E94.2Very high91.3Very high56 Ų5639.5 Ų39.526%0.26219%0.186SC..Hα-helixtrans-60.6-44.1174.5-168.1-163.1149.300111.5L774 Q775 L776 G781 K782 A900 G904L774-E778 PolarHBondContact O-N 3.35Å; Q775-E778 PolarHBondContact O-N 2.74Å; L776-E778 VanDerWaalsContact C-N 3.34Å; L776-E778 PolarHBondContact O-N 3.45Å; E778-G781 PolarHBondContact O-N 3.03Å; E778-K782 WeakPolarHBondContact O-CG 3.46Å; E778-K782 PolarHBondContact O-N 3.43Å; E778-K782 WeakPolarHBondContact OE1-CE 3.19Å; E778-K782 IonicContact OE1-NZ 2.68Å; E778-K782 PolarHBondContact OE1-NZ 3.45Å; E778-A900 VanDerWaalsContact CA-O 3.3Å; E778-A900 WeakPolarHBondContact CA-O 3.4Å; E778-G904 VanDerWaalsContact O-CA 3.32Å; E778-G904 WeakPolarHBondContact O-CA 3.37Å
779F92.4Very high91.3Very high3 Ų334.2 Ų34.21%0.01317%0.165CC..Hα-helixtrans-61.6-45.4175.8171.7-111.7000112.2L693 Y697 L700 I740 Q775 L776 F777 G781 K782 M783L693-F779 HydrophobicContact CD1-CE1 4.1Å; Y697-F779 HydrophobicContact CD2-CB 3.69Å; Y697-F779 AromaticContact CD2-CD1 3.91Å; Y697-F779 HydrophobicContact CD2-CD1 3.91Å; Y697-F779 HydrophobicContact CD2-CD2 4.31Å; Y697-F779 AromaticContact CD2-CG 3.7Å; Y697-F779 HydrophobicContact CD2-CG 3.7Å; Y697-F779 HydrophobicContact CE2-CB 3.98Å; Y697-F779 HydrophobicContact CE2-CG 4.48Å; L700-F779 HydrophobicContact CB-CE2 3.84Å; L700-F779 HydrophobicContact CD1-CE2 4.1Å; L700-F779 HydrophobicContact CD1-CZ 4.41Å; I740-F779 HydrophobicContact CD1-CE1 4.42Å; I740-F779 HydrophobicContact CD1-CZ 4.15Å; I740-F779 HydrophobicContact CG2-CE1 4.11Å; Q775-F779 WeakPolarHBondContact O-CB 3.4Å; Q775-F779 PolarHBondContact O-N 2.87Å; L776-F779 WeakPolarHBondContact O-CB 3.24Å; L776-F779 PolarHBondContact O-N 3.03Å; L776-F779 VanDerWaalsContact O-N 3.16Å; F777-F779 VanDerWaalsContact C-N 3.34Å; F777-F779 PolarHBondContact O-N 3.05Å; F779-G781 VanDerWaalsContact C-N 3.32Å; F779-G781 PolarHBondContact O-N 3.38Å; F779-K782 WeakPolarHBondContact O-CB 3.26Å; F779-K782 PolarHBondContact O-N 3.22Å; F779-K782 VanDerWaalsContact O-N 3.1Å; F779-M783 HydrophobicContact CD2-CE 3.85Å; F779-M783 HydrophobicContact CD2-CG 4.32Å; F779-M783 HydrophobicContact CE1-CG 4.08Å; F779-M783 HydrophobicContact CE2-CE 3.42Å; F779-M783 VanDerWaalsContact CE2-CE 3.42Å; F779-M783 HydrophobicContact CE2-CG 3.82Å; F779-M783 HydrophobicContact CE2-SD 3.73Å; F779-M783 HydrophobicContact CZ-CE 4.19Å; F779-M783 HydrophobicContact CZ-CG 3.7Å; F779-M783 HydrophobicContact CZ-SD 3.89Å; F779-M783 WeakPolarHBondContact O-CG 3.44Å; F779-M783 PolarHBondContact O-N 2.87Å
780V92.9Very high91.3Very high7 Ų732.3 Ų32.34%0.04215%0.154CC..Hα-helixtrans-60.4-43.4175.7174.50000111.2V744 F745 F752 L776 F777 K782 M783 L784 L901V744-V780 HydrophobicContact CB-CG2 4.06Å; V744-V780 HydrophobicContact CG1-CB 4.37Å; V744-V780 HydrophobicContact CG1-CG1 4.29Å; V744-V780 HydrophobicContact CG1-CG2 3.16Å; V744-V780 HydrophobicContact CG2-CG2 4.21Å; F745-V780 HydrophobicContact CE1-CG1 4.24Å; F745-V780 HydrophobicContact CE2-CG1 4.18Å; F745-V780 HydrophobicContact CZ-CG1 3.63Å; F752-V780 HydrophobicContact CE2-CG1 4.28Å; F752-V780 HydrophobicContact CZ-CG1 4.25Å; L776-V780 WeakPolarHBondContact O-CG2 3.35Å; L776-V780 PolarHBondContact O-N 3.42Å; F777-V780 PolarHBondContact O-N 2.92Å; V780-K782 VanDerWaalsContact C-N 3.31Å; V780-K782 PolarHBondContact O-N 3.1Å; V780-M783 PolarHBondContact O-N 3.43Å; V780-L784 WeakPolarHBondContact O-CB 3.33Å; V780-L784 PolarHBondContact O-N 2.87Å; V780-L901 HydrophobicContact CG1-CD1 4.24Å
781G93.8Very high91.2Very high0 Ų030.1 Ų30.10%015%0.149CC..Hα-helixtrans-56.5-45.2173.100000112.1F777 E778 F779 L784 G785 L901 G904 F905F777-G781 PolarHBondContact O-N 3.48Å; E778-G781 PolarHBondContact O-N 3.03Å; F779-G781 VanDerWaalsContact C-N 3.32Å; F779-G781 PolarHBondContact O-N 3.38Å; G781-L784 PolarHBondContact O-N 3.38Å; G781-G785 PolarHBondContact O-N 2.86Å; G781-L901 WeakPolarHBondContact CA-O 3.43Å; G781-G904 VanDerWaalsContact C-C 3.46Å; G781-F905 VanDerWaalsContact C-N 3.31Å; G781-F905 WeakPolarHBondContact O-CA 3.25Å; G781-F905 PolarHBondContact O-N 3.38Å
782K92Very high91.1Very high29 Ų2922.2 Ų22.213%0.12611%0.113CC..Hα-helixtrans-61.5-44.7175.4-72.3176-174.61660112E778 F779 V780 G785 K786 G904 S907E778-K782 WeakPolarHBondContact O-CG 3.46Å; E778-K782 PolarHBondContact O-N 3.43Å; E778-K782 WeakPolarHBondContact OE1-CE 3.19Å; E778-K782 IonicContact OE1-NZ 2.68Å; E778-K782 PolarHBondContact OE1-NZ 3.45Å; F779-K782 WeakPolarHBondContact O-CB 3.26Å; F779-K782 PolarHBondContact O-N 3.22Å; F779-K782 VanDerWaalsContact O-N 3.1Å; V780-K782 VanDerWaalsContact C-N 3.31Å; V780-K782 PolarHBondContact O-N 3.1Å; K782-G785 PolarHBondContact O-N 2.89Å; K782-K786 VanDerWaalsContact O-CB 3.32Å; K782-K786 WeakPolarHBondContact O-CB 3.19Å; K782-K786 PolarHBondContact O-N 3.5Å; K782-G904 WeakPolarHBondContact CG-O 3.33Å; K782-S907 WeakPolarHBondContact CG-OG 3.36Å
783M91.8Very high90.9Very high2 Ų219.3 Ų19.31%0.0110%0.098CC..Hα-helixtrans-64.5-44.8179.2-66.7-48.698.200111.5L700 M708 L737 I740 F779 V780 G785 K786 A787L700-M783 HydrophobicContact CB-CE 4.33Å; L700-M783 HydrophobicContact CD1-CE 3.99Å; L700-M783 HydrophobicContact CD1-SD 3.76Å; M708-M783 HydrophobicContact CE-CE 3.2Å; M708-M783 HydrophobicContact CE-SD 4.08Å; M708-M783 HydrophobicContact SD-CE 4.05Å; L737-M783 HydrophobicContact CD1-CB 3.85Å; L737-M783 HydrophobicContact CD1-CG 4.39Å; L737-M783 HydrophobicContact CD1-SD 4.22Å; I740-M783 HydrophobicContact CG2-CG 4.47Å; F779-M783 HydrophobicContact CD2-CE 3.85Å; F779-M783 HydrophobicContact CD2-CG 4.32Å; F779-M783 HydrophobicContact CE1-CG 4.08Å; F779-M783 HydrophobicContact CE2-CE 3.42Å; F779-M783 VanDerWaalsContact CE2-CE 3.42Å; F779-M783 HydrophobicContact CE2-CG 3.82Å; F779-M783 HydrophobicContact CE2-SD 3.73Å; F779-M783 HydrophobicContact CZ-CE 4.19Å; F779-M783 HydrophobicContact CZ-CG 3.7Å; F779-M783 HydrophobicContact CZ-SD 3.89Å; F779-M783 WeakPolarHBondContact O-CG 3.44Å; F779-M783 PolarHBondContact O-N 2.87Å; V780-M783 PolarHBondContact O-N 3.43Å; M783-G785 PolarHBondContact O-N 3.25Å; M783-K786 WeakPolarHBondContact O-CB 3.31Å; M783-K786 PolarHBondContact O-N 3.07Å; M783-A787 PolarHBondContact O-N 3.23Å
784L93.3Very high90.5Very high1 Ų117.4 Ų17.41%0.0059%0.091CC..Hα-helixtrans-63.3-42.9176.2-173.364.3000111.5V780 G781 K786 A787 V788 V794 F798 F905 I926V780-L784 WeakPolarHBondContact O-CB 3.33Å; V780-L784 PolarHBondContact O-N 2.87Å; G781-L784 PolarHBondContact O-N 3.38Å; L784-K786 VanDerWaalsContact C-N 3.32Å; L784-K786 PolarHBondContact O-N 3.1Å; L784-A787 WeakPolarHBondContact O-CB 3.21Å; L784-A787 PolarHBondContact O-N 3.49Å; L784-V788 WeakPolarHBondContact O-CG2 3.29Å; L784-V788 PolarHBondContact O-N 3.45Å; L784-V788 VanDerWaalsContact O-N 3.09Å; L784-V794 HydrophobicContact CD1-CG2 3.95Å; L784-F798 HydrophobicContact CD1-CE2 4.41Å; L784-F798 HydrophobicContact CD2-CE2 4.01Å; L784-F798 HydrophobicContact CD2-CZ 3.89Å; L784-F905 HydrophobicContact CB-CD2 4.29Å; L784-F905 HydrophobicContact CD2-CD2 4.29Å; L784-F905 HydrophobicContact CD2-CE2 4.44Å; L784-F905 HydrophobicContact CG-CD2 4.18Å; L784-F905 HydrophobicContact CG-CE2 4.17Å; L784-I926 HydrophobicContact CD1-CG2 3.85Å; L784-I926 HydrophobicContact CD2-CD1 4.49Å
785G93.3Very high90Very high0 Ų017.4 Ų17.40%09%0.092CC..Hα-helixtrans-61.5-40174.400000112.1G781 K782 M783 V788 Y789 I909G781-G785 PolarHBondContact O-N 2.86Å; K782-G785 PolarHBondContact O-N 2.89Å; M783-G785 PolarHBondContact O-N 3.25Å; G785-V788 PolarHBondContact O-N 3.43Å; G785-Y789 VanDerWaalsContact O-CB 3.3Å; G785-Y789 WeakPolarHBondContact O-CB 3.31Å; G785-Y789 PolarHBondContact O-N 2.87Å; G785-I909 WeakPolarHBondContact O-CD1 3.18Å
786K91.3Very high89.7Confident2 Ų214.9 Ų14.91%0.0098%0.08CC..Hα-helixtrans-64.4-43.3174.9-179.261.1170.3-175.80112.1M708 K709 G710 F733 K782 M783 L784 V788 Y789 E790M708-K786 HydrophobicContact CE-CB 3.76Å; M708-K786 HydrophobicContact CE-CD 4.23Å; M708-K786 HydrophobicContact CE-CG 3.75Å; M708-K786 WeakPolarHBondContact O-CD 3.34Å; M708-K786 VanDerWaalsContact O-CE 3.22Å; M708-K786 WeakPolarHBondContact O-CE 3.44Å; M708-K786 PolarHBondContact O-NZ 2.9Å; K709-K786 PolarHBondContact O-NZ 2.86Å; G710-K786 PolarHBondContact O-NZ 2.85Å; F733-K786 HydrophobicContact CE1-CG 4.17Å; F733-K786 HydrophobicContact CZ-CD 4.48Å; F733-K786 HydrophobicContact CZ-CG 3.73Å; K782-K786 VanDerWaalsContact O-CB 3.32Å; K782-K786 WeakPolarHBondContact O-CB 3.19Å; K782-K786 PolarHBondContact O-N 3.5Å; M783-K786 WeakPolarHBondContact O-CB 3.31Å; M783-K786 PolarHBondContact O-N 3.07Å; L784-K786 VanDerWaalsContact C-N 3.32Å; L784-K786 PolarHBondContact O-N 3.1Å; K786-V788 PolarHBondContact O-N 3.03Å; K786-Y789 PolarHBondContact O-N 3.19Å; K786-E790 HydrophobicContact CD-CG 3.98Å; K786-E790 WeakPolarHBondContact CE-OE1 3.34Å; K786-E790 IonicContact NZ-OE1 2.79Å; K786-E790 PolarHBondContact NZ-OE1 3.37Å; K786-E790 WeakPolarHBondContact O-CG 3.46Å; K786-E790 PolarHBondContact O-N 2.76Å
787A89.6Confident89.5Confident0 Ų015.9 Ų15.90%09%0.088CC..Hα-helixtrans-56.3-50.9174.800000111.1L737 I741 M783 L784 Y789 E790 G791 I792 V794L737-A787 HydrophobicContact CD2-CB 3.81Å; I741-A787 HydrophobicContact CD1-CB 4.45Å; M783-A787 PolarHBondContact O-N 3.23Å; L784-A787 WeakPolarHBondContact O-CB 3.21Å; L784-A787 PolarHBondContact O-N 3.49Å; A787-Y789 VanDerWaalsContact C-N 3.34Å; A787-Y789 PolarHBondContact O-N 2.98Å; A787-E790 PolarHBondContact O-N 3.35Å; A787-G791 PolarHBondContact O-N 2.77Å; A787-I792 CarbonylContact C-O 3.58Å; A787-I792 HydrophobicContact CB-CB 4.45Å; A787-I792 PolarHBondContact O-N 2.88Å; A787-V794 HydrophobicContact CB-CG1 4.13Å
788V91.6Very high89.4Confident1 Ų115.8 Ų15.81%0.0069%0.088CC..Hα-helixtrans-62-40.9178.4174.80000111.6F659 R660 L784 G785 K786 G791 F905 I909 L925 I926F659-V788 HydrophobicContact CE1-CG1 4.13Å; F659-V788 HydrophobicContact CZ-CG1 3.73Å; R660-V788 PolarHBondContact NH1-O 3.14Å; L784-V788 WeakPolarHBondContact O-CG2 3.29Å; L784-V788 PolarHBondContact O-N 3.45Å; L784-V788 VanDerWaalsContact O-N 3.09Å; G785-V788 PolarHBondContact O-N 3.43Å; K786-V788 PolarHBondContact O-N 3.03Å; V788-G791 PolarHBondContact O-N 3.38Å; V788-F905 HydrophobicContact CG2-CE2 4.24Å; V788-I909 HydrophobicContact CB-CD1 4.34Å; V788-I909 HydrophobicContact CB-CG1 4.47Å; V788-I909 HydrophobicContact CG1-CD1 4.1Å; V788-I909 HydrophobicContact CG1-CG1 4.38Å; V788-L925 HydrophobicContact CG1-CD2 4.09Å; V788-L925 HydrophobicContact CG1-CG 4.31Å; V788-I926 HydrophobicContact CG2-CG1 3.86Å
789Y91Very high89.2Confident2 Ų213.1 Ų13.11%0.0088%0.076CC..Hα-helixtrans-62.6-44.2178.2-169.6-104.6000112.3V663 E666 K667 K709 G785 K786 A787 G791 I908 I909 W913V663-Y789 HydrophobicContact CB-CE2 4.49Å; V663-Y789 HydrophobicContact CG1-CD2 3.86Å; V663-Y789 HydrophobicContact CG1-CE1 4.46Å; V663-Y789 HydrophobicContact CG1-CE2 3.73Å; V663-Y789 HydrophobicContact CG1-CG 4.28Å; V663-Y789 WeakPolarHBondContact CG1-O 3.24Å; V663-Y789 HydrophobicContact CG2-CD2 4.19Å; V663-Y789 HydrophobicContact CG2-CE2 4.37Å; E666-Y789 VanDerWaalsContact OE2-CE2 3.24Å; E666-Y789 WeakPolarHBondContact OE2-CE2 3.49Å; E666-Y789 PolarHBondContact OE2-OH 2.95Å; K667-Y789 HydrophobicContact CD-CE1 4.23Å; K667-Y789 HydrophobicContact CG-CE1 3.97Å; K667-Y789 WeakPolarHBondContact CG-OH 3.49Å; K709-Y789 HydrophobicContact CB-CE1 4Å; K709-Y789 HydrophobicContact CD-CE2 4.48Å; K709-Y789 HydrophobicContact CG-CE1 4.19Å; G785-Y789 VanDerWaalsContact O-CB 3.3Å; G785-Y789 WeakPolarHBondContact O-CB 3.31Å; G785-Y789 PolarHBondContact O-N 2.87Å; K786-Y789 PolarHBondContact O-N 3.19Å; A787-Y789 VanDerWaalsContact C-N 3.34Å; A787-Y789 PolarHBondContact O-N 2.98Å; Y789-G791 VanDerWaalsContact C-N 3.3Å; Y789-I908 HydrophobicContact CD2-CG2 4.21Å; Y789-I908 HydrophobicContact CG-CG2 3.98Å; Y789-I909 HydrophobicContact CD2-CD1 4.01Å; Y789-I909 HydrophobicContact CG-CD1 4.43Å; Y789-W913 HydrophobicContact CE2-CZ3 4.32Å
790E85.7Confident89Confident48 Ų4814.5 Ų14.522%0.2249%0.085CC..Hα-helixtrans-76.8-18.1177.8-62.8-53.2152.600113.5K667 K786 A787 I792K667-E790 IonicContact NZ-OE1 3.58Å; K667-E790 IonicContact NZ-OE2 2.9Å; K667-E790 PolarHBondContact NZ-OE2 2.95Å; K786-E790 HydrophobicContact CD-CG 3.98Å; K786-E790 WeakPolarHBondContact CE-OE1 3.34Å; K786-E790 IonicContact NZ-OE1 2.79Å; K786-E790 PolarHBondContact NZ-OE1 3.37Å; K786-E790 WeakPolarHBondContact O-CG 3.46Å; K786-E790 PolarHBondContact O-N 2.76Å; A787-E790 PolarHBondContact O-N 3.35Å; E790-I792 HydrophobicContact CB-CD1 3.9Å; E790-I792 HydrophobicContact CB-CG1 3.96Å
791G84.3Confident88.8Confident20 Ų2014.1 Ų14.121%0.2068%0.083CC..THydrogen-bonded Turntrans80.925.4-174.100000113.6R660 A787 V788 Y789R660-G791 VanDerWaalsContact CZ-CA 3.48Å; A787-G791 PolarHBondContact O-N 2.77Å; V788-G791 PolarHBondContact O-N 3.38Å; Y789-G791 VanDerWaalsContact C-N 3.3Å
792I84.3Confident88.7Confident18 Ų1814.2 Ų14.29%0.0928%0.084CC..  trans-84.4121.8171.2-59.1169000107.2F733 K734 L737 A787 E790F733-I792 HydrophobicContact CE1-CD1 4.36Å; K734-I792 HydrophobicContact CG-CD1 4.43Å; K734-I792 HydrophobicContact CG-CG2 4.16Å; L737-I792 HydrophobicContact CD2-CD1 3.86Å; L737-I792 HydrophobicContact CD2-CG2 4.45Å; A787-I792 CarbonylContact C-O 3.58Å; A787-I792 HydrophobicContact CB-CB 4.45Å; A787-I792 PolarHBondContact O-N 2.88Å; E790-I792 HydrophobicContact CB-CD1 3.9Å; E790-I792 HydrophobicContact CB-CG1 3.96Å
793V82.9Confident88.6Confident23 Ų2312.9 Ų12.914%0.1398%0.078CC..  trans-85.2140.6176.1-68.70000110.2I926 C981V793-I926 CarbonylContact C-O 3.47Å; V793-I926 WeakPolarHBondContact CA-O 3.22Å; V793-C981 HydrophobicContact CG2-CB 3.76Å; V793-C981 VanDerWaalsContact CG2-SG 3.57Å
794V84.3Confident88.5Confident6 Ų613.3 Ų13.34%0.0368%0.081CC..  trans-128.6130.3-178.3-61.50000111.1I741 L784 A787 V796 I926 S927I741-V794 HydrophobicContact CD1-CB 4.4Å; I741-V794 HydrophobicContact CD1-CG1 3.74Å; I741-V794 HydrophobicContact CD1-CG2 4.49Å; I741-V794 HydrophobicContact CG2-CB 4.21Å; I741-V794 HydrophobicContact CG2-CG1 4.48Å; L784-V794 HydrophobicContact CD1-CG2 3.95Å; A787-V794 HydrophobicContact CB-CG1 4.13Å; V794-V796 VanDerWaalsContact C-N 3.27Å; V794-V796 HydrophobicContact CB-CG2 4.34Å; V794-V796 HydrophobicContact CG2-CG2 4.19Å; V794-V796 PolarHBondContact O-N 3.44Å; V794-I926 HydrophobicContact CG2-CG2 3.51Å; V794-I926 PolarHBondContact N-O 3.12Å; V794-S927 WeakPolarHBondContact O-CA 3.39Å; V794-S927 VanDerWaalsContact O-CB 3.25Å; V794-S927 WeakPolarHBondContact O-CB 3.25Å; V794-S927 PolarHBondContact O-OG 3.38Å
795D82.4Confident88.3Confident56 Ų5613.3 Ų13.330%0.2998%0.081SC..  trans-79.269.3-174.9-164.313.8000111K976 S982D795-K976 IonicContact OD2-NZ 2.89Å; D795-K976 PolarHBondContact OD2-NZ 2.85Å; D795-S982 PolarHBondContact OD2-OG 3.45Å
796V85.5Confident88.1Confident7 Ų713.3 Ų13.34%0.0428%0.081CC..  trans-126.4108.3-177.3-174.20000110.4I741 F745 L761 V794 F798 Q923 S927I741-V796 HydrophobicContact CG2-CG2 3.52Å; F745-V796 HydrophobicContact CB-CG1 4.34Å; F745-V796 HydrophobicContact CD1-CG1 4.01Å; F745-V796 HydrophobicContact CD2-CB 4.45Å; F745-V796 HydrophobicContact CD2-CG1 3.79Å; F745-V796 HydrophobicContact CD2-CG2 3.77Å; F745-V796 HydrophobicContact CE1-CG1 4.3Å; F745-V796 HydrophobicContact CE2-CG1 4.13Å; F745-V796 HydrophobicContact CE2-CG2 4.18Å; F745-V796 HydrophobicContact CG-CG1 3.77Å; F745-V796 HydrophobicContact CG-CG2 4.43Å; F745-V796 HydrophobicContact CZ-CG1 4.38Å; L761-V796 HydrophobicContact CD1-CG1 3.7Å; V794-V796 VanDerWaalsContact C-N 3.27Å; V794-V796 HydrophobicContact CB-CG2 4.34Å; V794-V796 HydrophobicContact CG2-CG2 4.19Å; V794-V796 PolarHBondContact O-N 3.44Å; V796-F798 HydrophobicContact CB-CE2 4.2Å; V796-F798 HydrophobicContact CB-CZ 4.29Å; V796-F798 HydrophobicContact CG1-CD1 4.35Å; V796-F798 HydrophobicContact CG1-CD2 4.39Å; V796-F798 HydrophobicContact CG1-CE1 3.82Å; V796-F798 HydrophobicContact CG1-CE2 3.87Å; V796-F798 HydrophobicContact CG1-CZ 3.55Å; V796-F798 PolarHBondContact O-N 3.46Å; V796-Q923 PolarHBondContact O-NE2 3.35Å; V796-S927 PolarHBondContact O-OG 2.89Å
797P88.2Confident87.9Confident51 Ų5113.4 Ų13.433%0.3318%0.082SC..  trans-83.4104.6-179.431.7-32.6000111R760 L761R760-P797 CarbonylContact C-O 3.57Å; R760-P797 WeakPolarHBondContact CA-O 3.48Å; L761-P797 PolarHBondContact N-O 2.87Å
798F91.9Very high87.5Confident0 Ų014.3 Ų14.30%09%0.091CC..BIsolated β-bridgetrans-84.9151.9175.8-67.5-67.3000112.4F745 R760 L761 L784 V796 F802 L803 I926F745-F798 HydrophobicContact CD1-CE1 4.14Å; F745-F798 AromaticContact CE1-CE1 3.43Å; F745-F798 HydrophobicContact CE1-CE1 3.43Å; F745-F798 VanDerWaalsContact CE1-CE1 3.43Å; F745-F798 AromaticContact CE1-CZ 3.67Å; F745-F798 HydrophobicContact CE1-CZ 3.67Å; F745-F798 HydrophobicContact CE2-CZ 4.25Å; F745-F798 AromaticContact CZ-CE1 3.83Å; F745-F798 HydrophobicContact CZ-CE1 3.83Å; F745-F798 AromaticContact CZ-CZ 3.54Å; F745-F798 HydrophobicContact CZ-CZ 3.54Å; R760-F798 PolarHBondContact NH1-O 3.32Å; R760-F798 VanDerWaalsContact NH1-O 3.08Å; L761-F798 HydrophobicContact CB-CD1 4.38Å; L784-F798 HydrophobicContact CD1-CE2 4.41Å; L784-F798 HydrophobicContact CD2-CE2 4.01Å; L784-F798 HydrophobicContact CD2-CZ 3.89Å; V796-F798 HydrophobicContact CB-CE2 4.2Å; V796-F798 HydrophobicContact CB-CZ 4.29Å; V796-F798 HydrophobicContact CG1-CD1 4.35Å; V796-F798 HydrophobicContact CG1-CD2 4.39Å; V796-F798 HydrophobicContact CG1-CE1 3.82Å; V796-F798 HydrophobicContact CG1-CE2 3.87Å; V796-F798 HydrophobicContact CG1-CZ 3.55Å; V796-F798 PolarHBondContact O-N 3.46Å; F798-F802 HydrophobicContact CB-CD1 4.26Å; F798-F802 AromaticContact CD1-CD1 3.69Å; F798-F802 HydrophobicContact CD1-CD1 3.69Å; F798-F802 AromaticContact CD1-CE1 3.63Å; F798-F802 HydrophobicContact CD1-CE1 3.63Å; F798-F802 HydrophobicContact CE1-CD1 4.38Å; F798-F802 AromaticContact CE1-CE1 3.85Å; F798-F802 HydrophobicContact CE1-CE1 3.85Å; F798-F802 HydrophobicContact CG-CD1 4.19Å; F798-F802 HydrophobicContact CG-CE1 4.35Å; F798-L803 HydrophobicContact CB-CD1 4.03Å; F798-L803 HydrophobicContact CB-CD2 3.77Å; F798-L803 HydrophobicContact CB-CG 3.71Å; F798-L803 HydrophobicContact CD2-CD2 3.94Å; F798-L803 HydrophobicContact CG-CD2 4.08Å; F798-I926 HydrophobicContact CD2-CD1 4.32Å; F798-I926 HydrophobicContact CE2-CD1 4.2Å; F798-I926 HydrophobicContact CE2-CG2 4.23Å
799A90.8Very high86.8Confident0 Ų016.6 Ų16.60%010%0.102CC..  trans-68.5141169.500000110.6T755 R760 L761 F801 F802 L803T755-A799 HydrophobicContact CG2-CB 3.81Å; R760-A799 HydrophobicContact CB-CB 4.11Å; L761-A799 PolarHBondContact O-N 2.92Å; A799-F801 HydrophobicContact CB-CD1 3.66Å; A799-F801 HydrophobicContact CB-CE1 3.39Å; A799-F801 HydrophobicContact CB-CZ 4.27Å; A799-F801 PolarHBondContact O-N 3.22Å; A799-F802 HydrophobicContact CB-CB 4.39Å; A799-F802 WeakPolarHBondContact O-CB 3.41Å; A799-F802 PolarHBondContact O-N 3.17Å; A799-F802 VanDerWaalsContact O-N 3.15Å; A799-L803 PolarHBondContact O-N 2.87Å; A799-L803 VanDerWaalsContact O-N 3.14Å
800S87.9Confident85.6Confident31 Ų3118.3 Ų18.322%0.21711%0.11CC..Hα-helixtrans-57.9-49-176.7-177.30000111.9F802 L803 S804 E820S800-F802 PolarHBondContact O-N 3.11Å; S800-F802 VanDerWaalsContact O-N 3.15Å; S800-L803 PolarHBondContact O-N 2.97Å; S800-L803 VanDerWaalsContact O-N 3.08Å; S800-S804 PolarHBondContact O-N 3.39Å; S800-S804 PolarHBondContact O-OG 2.98Å; S800-E820 PolarHBondContact OG-OE2 3.32Å
801F88.4Confident84.5Confident0 Ų023.1 Ų23.10%013%0.132CC..Hα-helixtrans-58-32.7179.878.9-90.3000112.8T755 Y762 A799 Q805 E820 L824 M890 I894T755-F801 HydrophobicContact CG2-CE1 4.38Å; Y762-F801 HydrophobicContact CD1-CE1 4.38Å; Y762-F801 HydrophobicContact CD1-CZ 4.19Å; Y762-F801 AromaticContact CD2-CZ 3.89Å; Y762-F801 HydrophobicContact CD2-CZ 3.89Å; Y762-F801 HydrophobicContact CG-CE1 4.22Å; Y762-F801 AromaticContact CG-CZ 3.62Å; Y762-F801 HydrophobicContact CG-CZ 3.62Å; A799-F801 HydrophobicContact CB-CD1 3.66Å; A799-F801 HydrophobicContact CB-CE1 3.39Å; A799-F801 HydrophobicContact CB-CZ 4.27Å; A799-F801 PolarHBondContact O-N 3.22Å; F801-Q805 WeakPolarHBondContact O-CG 3.43Å; F801-Q805 PolarHBondContact O-N 2.97Å; F801-E820 WeakPolarHBondContact CA-OE2 3.3Å; F801-E820 HydrophobicContact CB-CB 4Å; F801-E820 PolarHBondContact N-OE2 3.37Å; F801-L824 HydrophobicContact CD1-CB 3.96Å; F801-L824 HydrophobicContact CE1-CB 3.76Å; F801-L824 HydrophobicContact CE1-CD1 3.71Å; F801-L824 HydrophobicContact CE1-CG 4.27Å; F801-L824 HydrophobicContact CZ-CB 4.38Å; F801-L824 HydrophobicContact CZ-CD1 3.75Å; F801-L824 HydrophobicContact CZ-CG 4.49Å; F801-M890 HydrophobicContact CB-SD 4.02Å; F801-M890 HydrophobicContact CD2-CB 4.09Å; F801-M890 HydrophobicContact CD2-CG 4.35Å; F801-M890 HydrophobicContact CD2-SD 4.4Å; F801-M890 HydrophobicContact CE2-CB 4.46Å; F801-M890 HydrophobicContact CG-SD 4.19Å; F801-I894 HydrophobicContact CE2-CD1 4.04Å
802F91.8Very high83.7Confident1 Ų123.7 Ų23.70%0.00413%0.133CC..Hα-helixtrans-74.2-40.7178.1174.7-117.1000111.8P763 F798 A799 S800 S804 Q805 L806 T898 L901P763-F802 VanDerWaalsContact CD-CD2 3.44Å; P763-F802 VanDerWaalsContact CD-CE2 3.47Å; P763-F802 HydrophobicContact CG-CD2 3.9Å; P763-F802 HydrophobicContact CG-CE2 3.42Å; P763-F802 VanDerWaalsContact CG-CE2 3.42Å; P763-F802 HydrophobicContact CG-CZ 3.9Å; F798-F802 HydrophobicContact CB-CD1 4.26Å; F798-F802 AromaticContact CD1-CD1 3.69Å; F798-F802 HydrophobicContact CD1-CD1 3.69Å; F798-F802 AromaticContact CD1-CE1 3.63Å; F798-F802 HydrophobicContact CD1-CE1 3.63Å; F798-F802 HydrophobicContact CE1-CD1 4.38Å; F798-F802 AromaticContact CE1-CE1 3.85Å; F798-F802 HydrophobicContact CE1-CE1 3.85Å; F798-F802 HydrophobicContact CG-CD1 4.19Å; F798-F802 HydrophobicContact CG-CE1 4.35Å; A799-F802 HydrophobicContact CB-CB 4.39Å; A799-F802 WeakPolarHBondContact O-CB 3.41Å; A799-F802 PolarHBondContact O-N 3.17Å; A799-F802 VanDerWaalsContact O-N 3.15Å; S800-F802 PolarHBondContact O-N 3.11Å; S800-F802 VanDerWaalsContact O-N 3.15Å; F802-S804 VanDerWaalsContact C-N 3.32Å; F802-S804 PolarHBondContact O-N 3.02Å; F802-Q805 WeakPolarHBondContact O-CA 3.45Å; F802-Q805 WeakPolarHBondContact O-CB 3.45Å; F802-Q805 PolarHBondContact O-N 2.85Å; F802-Q805 VanDerWaalsContact O-N 3.09Å; F802-L806 PolarHBondContact O-N 2.9Å; F802-T898 HydrophobicContact CD2-CG2 4.48Å; F802-T898 HydrophobicContact CE2-CG2 4.11Å; F802-L901 HydrophobicContact CZ-CD1 4.01Å; F802-L901 HydrophobicContact CZ-CD2 3.94Å
803L90.8Very high82.5Confident2 Ų228 Ų281%0.0116%0.16CC..Hα-helixtrans-63.1-39.3173.4-69.2173.8000112.1F798 A799 S800 Q805 L806 L807 A919 L922 Q923 I926F798-L803 HydrophobicContact CB-CD1 4.03Å; F798-L803 HydrophobicContact CB-CD2 3.77Å; F798-L803 HydrophobicContact CB-CG 3.71Å; F798-L803 HydrophobicContact CD2-CD2 3.94Å; F798-L803 HydrophobicContact CG-CD2 4.08Å; A799-L803 PolarHBondContact O-N 2.87Å; A799-L803 VanDerWaalsContact O-N 3.14Å; S800-L803 PolarHBondContact O-N 2.97Å; S800-L803 VanDerWaalsContact O-N 3.08Å; L803-Q805 PolarHBondContact O-N 3.4Å; L803-L806 HydrophobicContact CD2-CD2 4.44Å; L803-L806 WeakPolarHBondContact O-CB 3.28Å; L803-L806 PolarHBondContact O-N 3.4Å; L803-L806 VanDerWaalsContact O-N 3.15Å; L803-L807 WeakPolarHBondContact O-CG 3.45Å; L803-L807 PolarHBondContact O-N 2.87Å; L803-A919 HydrophobicContact CB-CB 3.89Å; L803-A919 WeakPolarHBondContact CD1-O 3.5Å; L803-L922 HydrophobicContact CD2-CD2 4.2Å; L803-L922 HydrophobicContact CD2-CG 4.43Å; L803-Q923 HydrophobicContact CD1-CB 3.7Å; L803-Q923 HydrophobicContact CD1-CG 4.44Å; L803-I926 HydrophobicContact CD2-CD1 4.29Å
804S88.5Confident81.6Confident11 Ų1128.8 Ų28.88%0.07716%0.161CC..Hα-helixtrans-59.5-36.8172.3-64.90000111.6S800 F802 G808 H809S800-S804 PolarHBondContact O-N 3.39Å; S800-S804 PolarHBondContact O-OG 2.98Å; F802-S804 VanDerWaalsContact C-N 3.32Å; F802-S804 PolarHBondContact O-N 3.02Å; S804-G808 PolarHBondContact O-N 2.96Å; S804-H809 WeakPolarHBondContact O-CB 3.21Å; S804-H809 PolarHBondContact O-N 2.68Å
805Q89.3Confident81Confident0 Ų030.1 Ų30.10%017%0.166CC..Hα-helixtrans-67.3-42.8172.6-74.2-179.755.600112.7F801 F802 L803 L807 G808 H810 M890 H891 T898 I902F801-Q805 WeakPolarHBondContact O-CG 3.43Å; F801-Q805 PolarHBondContact O-N 2.97Å; F802-Q805 WeakPolarHBondContact O-CA 3.45Å; F802-Q805 WeakPolarHBondContact O-CB 3.45Å; F802-Q805 PolarHBondContact O-N 2.85Å; F802-Q805 VanDerWaalsContact O-N 3.09Å; L803-Q805 PolarHBondContact O-N 3.4Å; Q805-L807 VanDerWaalsContact C-N 3.33Å; Q805-L807 PolarHBondContact O-N 3.25Å; Q805-G808 WeakPolarHBondContact O-CA 3.42Å; Q805-G808 PolarHBondContact O-N 2.99Å; Q805-H810 HydrophobicContact CG-CB 3.83Å; Q805-H810 PolarHBondContact O-CE1 2.89Å; Q805-H810 PolarHBondContact O-ND1 3.01Å; Q805-M890 PolarHBondContact NE2-O 3.43Å; Q805-H891 PolarHBondContact OE1-ND1 3.46Å; Q805-T898 HydrophobicContact CB-CG2 4.02Å; Q805-I902 WeakPolarHBondContact O-CD1 3.47Å
806L88.9Confident80.8Confident0 Ų027.9 Ų27.90%016%0.155CC..Hα-helixtrans-59.2-41.9177.8-176.958.5000112.4F802 L803 G808 L901 I902 F905 L922F802-L806 PolarHBondContact O-N 2.9Å; L803-L806 HydrophobicContact CD2-CD2 4.44Å; L803-L806 WeakPolarHBondContact O-CB 3.28Å; L803-L806 PolarHBondContact O-N 3.4Å; L803-L806 VanDerWaalsContact O-N 3.15Å; L806-G808 PolarHBondContact O-N 2.89Å; L806-L901 HydrophobicContact CD1-CD2 3.97Å; L806-I902 HydrophobicContact CD1-CG1 3.78Å; L806-F905 HydrophobicContact CD1-CB 4.14Å; L806-F905 HydrophobicContact CD1-CD1 3.96Å; L806-F905 HydrophobicContact CD1-CG 3.98Å; L806-L922 HydrophobicContact CD2-CD2 3.96Å; L806-L922 HydrophobicContact CG-CD2 4.29Å
807L87.1Confident80.5Confident4 Ų428.2 Ų28.22%0.02116%0.158CC..Hα-helixtrans-66.9-16.4173.7-71.4168.3000113.4L803 Q805 H809 I914 A919 L922L803-L807 WeakPolarHBondContact O-CG 3.45Å; L803-L807 PolarHBondContact O-N 2.87Å; Q805-L807 VanDerWaalsContact C-N 3.33Å; Q805-L807 PolarHBondContact O-N 3.25Å; L807-H809 WeakPolarHBondContact CB-CD2 3.49Å; L807-I914 HydrophobicContact CD2-CB 4.01Å; L807-I914 HydrophobicContact CD2-CD1 4.38Å; L807-I914 HydrophobicContact CD2-CG1 4.29Å; L807-I914 VanDerWaalsContact CD2-O 3.29Å; L807-I914 WeakPolarHBondContact CD2-O 3.46Å; L807-A919 HydrophobicContact CD1-CB 4.31Å; L807-L922 HydrophobicContact CD1-CB 4.48Å; L807-L922 HydrophobicContact CD1-CD2 4.31Å; L807-L922 HydrophobicContact CD2-CB 4.5Å; L807-L922 HydrophobicContact CD2-CD2 3.76Å; L807-L922 HydrophobicContact CG-CD2 3.74Å
808G81.3Confident80.3Confident20 Ų2026.7 Ų26.721%0.20615%0.147CC..THydrogen-bonded Turntrans84.112.7-176.200000114.1S804 Q805 L806 H810S804-G808 PolarHBondContact O-N 2.96Å; Q805-G808 WeakPolarHBondContact O-CA 3.42Å; Q805-G808 PolarHBondContact O-N 2.99Å; L806-G808 PolarHBondContact O-N 2.89Å; G808-H810 VanDerWaalsContact C-N 3.26Å; G808-H810 PolarHBondContact O-N 2.64Å
809H76.7Confident79.7Confident48 Ų4827.6 Ų27.622%0.22215%0.152CC..G310 helixtrans-71.5-16.2179.8-65.9-57.4000113.6S804 L807 H811 S812 Y815S804-H809 WeakPolarHBondContact O-CB 3.21Å; S804-H809 PolarHBondContact O-N 2.68Å; L807-H809 WeakPolarHBondContact CB-CD2 3.49Å; H809-H811 PolarHBondContact O-N 3.14Å; H809-H811 VanDerWaalsContact O-N 3.13Å; H809-S812 WeakPolarHBondContact O-CA 3.41Å; H809-S812 WeakPolarHBondContact O-CB 3.47Å; H809-S812 PolarHBondContact O-N 2.69Å; H809-Y815 WeakPolarHBondContact O-CB 3.48Å
810H66.1Low79.3Confident38 Ų3828.7 Ų28.718%0.17616%0.157CC..G310 helixtrans-62.5-19.8176.962.7-79.1000114.9Q805 G808 Y815 H891Q805-H810 HydrophobicContact CG-CB 3.83Å; Q805-H810 PolarHBondContact O-CE1 2.89Å; Q805-H810 PolarHBondContact O-ND1 3.01Å; G808-H810 VanDerWaalsContact C-N 3.26Å; G808-H810 PolarHBondContact O-N 2.64Å; H810-Y815 HydrophobicContact CB-CD1 4.41Å; H810-Y815 HydrophobicContact CB-CE1 4.39Å; H810-H891 AromaticContact CD2-CE1 3.63Å; H810-H891 AromaticContact NE2-CE1 3.91Å
811H62.6Low79.3Confident149 Ų14927.2 Ų27.269%0.6915%0.147SC*.G310 helixtrans-93.1-1.8170.1-60.3118.2000112.9H809H809-H811 PolarHBondContact O-N 3.14Å; H809-H811 VanDerWaalsContact O-N 3.13Å
812S67.3Low79.2Confident32 Ų3229.3 Ų29.322%0.22416%0.16CC..SBendtrans-66.5139.3175.7-173.50000109.1H809 F814 Y815H809-S812 WeakPolarHBondContact O-CA 3.41Å; H809-S812 WeakPolarHBondContact O-CB 3.47Å; H809-S812 PolarHBondContact O-N 2.69Å; S812-F814 PolarHBondContact O-N 3.46Å; S812-F814 VanDerWaalsContact O-N 3.11Å; S812-F814 WeakPolarHBondContact OG-CD2 3.44Å; S812-F814 PolarHBondContact OG-N 2.94Å; S812-Y815 PolarHBondContact O-N 2.77Å
813V59.1Low78.8Confident108 Ų10830.9 Ų30.966%0.65517%0.172SC*.THydrogen-bonded Turntrans-61.4-17.3171.1-178.40000111.3
814F64Low78.7Confident40 Ų4031.2 Ų31.218%0.17517%0.173CC..THydrogen-bonded Turntrans-91.1-10.4-177.9-44.4-48.3000113.5M601 V602 E605 S812 S816M601-F814 HydrophobicContact CB-CD2 3.82Å; M601-F814 HydrophobicContact CB-CE2 3.95Å; M601-F814 HydrophobicContact CB-CG 4.32Å; M601-F814 HydrophobicContact CG-CE2 4.3Å; V602-F814 HydrophobicContact CG2-CB 3.97Å; V602-F814 HydrophobicContact CG2-CD1 3.65Å; V602-F814 HydrophobicContact CG2-CG 4.1Å; E605-F814 VanDerWaalsContact OE2-CB 3.24Å; E605-F814 WeakPolarHBondContact OE2-CB 3.4Å; S812-F814 PolarHBondContact O-N 3.46Å; S812-F814 VanDerWaalsContact O-N 3.11Å; S812-F814 WeakPolarHBondContact OG-CD2 3.44Å; S812-F814 PolarHBondContact OG-N 2.94Å; F814-S816 PolarHBondContact O-N 3.12Å
815Y73.4Confident78.7Confident34 Ų3432.3 Ų32.313%0.13318%0.178CC..  trans-81.8112.7-177.1-175.4-95.7000111.8H809 H810 S812 E820H809-Y815 WeakPolarHBondContact O-CB 3.48Å; H810-Y815 HydrophobicContact CB-CD1 4.41Å; H810-Y815 HydrophobicContact CB-CE1 4.39Å; S812-Y815 PolarHBondContact O-N 2.77Å; Y815-E820 HydrophobicContact CE2-CG 3.73Å
816S76.5Confident78.5Confident10 Ų1035 Ų357%0.0720%0.197CC..  trans-95.8118.3170.2173.60000110.2F814 V818 D819 E820F814-S816 PolarHBondContact O-N 3.12Å; S816-V818 PolarHBondContact O-N 3.39Å; S816-V818 PolarHBondContact OG-N 3.13Å; S816-D819 WeakPolarHBondContact CB-OD1 3.25Å; S816-D819 PolarHBondContact O-N 3.1Å; S816-D819 VanDerWaalsContact OG-CG 3.26Å; S816-D819 PolarHBondContact OG-N 3.22Å; S816-D819 PolarHBondContact OG-OD1 3.11Å; S816-E820 PolarHBondContact O-N 3.1Å
817S81.1Confident78.4Confident14 Ų1441.3 Ų41.310%0.09823%0.227CC..Hα-helixtrans-65-22.9172.5-65.80000112.4L821 M890S817-L821 PolarHBondContact O-N 3.38Å; S817-M890 VanDerWaalsContact C-CE 3.42Å; S817-M890 WeakPolarHBondContact O-CE 3.37Å
818V82.3Confident78.4Confident18 Ų1842.9 Ų42.911%0.10923%0.233CC..Hα-helixtrans-77.4-38.7179.31790000110.3S816 E820 L821 Y829 I882 H883 A886S816-V818 PolarHBondContact O-N 3.39Å; S816-V818 PolarHBondContact OG-N 3.13Å; V818-E820 VanDerWaalsContact C-N 3.34Å; V818-E820 PolarHBondContact O-N 2.82Å; V818-L821 WeakPolarHBondContact O-CB 3.36Å; V818-L821 PolarHBondContact O-N 2.94Å; V818-Y829 HydrophobicContact CG1-CE2 4.16Å; V818-I882 HydrophobicContact CG1-CG2 4.47Å; V818-I882 HydrophobicContact CG2-CG2 3.96Å; V818-H883 WeakPolarHBondContact CG2-ND1 3.3Å; V818-A886 HydrophobicContact CG2-CB 4.06Å
819D80.2Confident78.6Confident19 Ų1942.9 Ų42.910%0.10223%0.227CC..Hα-helixtrans-69.6-30.7-176.9-62.219.5000112.4R606 R609 S816 P822R606-D819 IonicContact CZ-OD2 3.97Å; R606-D819 IonicContact NE-OD2 2.7Å; R606-D819 IonicContact NH2-OD1 2.94Å; R606-D819 IonicContact NH2-OD2 3.54Å; R606-D819 PolarHBondContact NH2-OD2 3.42Å; R609-D819 PolarHBondContact NH1-O 3.26Å; S816-D819 WeakPolarHBondContact CB-OD1 3.25Å; S816-D819 PolarHBondContact O-N 3.1Å; S816-D819 VanDerWaalsContact OG-CG 3.26Å; S816-D819 PolarHBondContact OG-N 3.22Å; S816-D819 PolarHBondContact OG-OD1 3.11Å; D819-P822 WeakPolarHBondContact O-CD 3.37Å
820E83.2Confident79.1Confident24 Ų2447.2 Ų47.211%0.11225%0.245CC..Hα-helixtrans-87.9-14.8178.2-70.8-71140.900113S800 F801 Y815 S816 V818 S823 M890S800-E820 PolarHBondContact OG-OE2 3.32Å; F801-E820 WeakPolarHBondContact CA-OE2 3.3Å; F801-E820 HydrophobicContact CB-CB 4Å; F801-E820 PolarHBondContact N-OE2 3.37Å; Y815-E820 HydrophobicContact CE2-CG 3.73Å; S816-E820 PolarHBondContact O-N 3.1Å; V818-E820 VanDerWaalsContact C-N 3.34Å; V818-E820 PolarHBondContact O-N 2.82Å; E820-S823 VanDerWaalsContact O-CB 3.31Å; E820-S823 WeakPolarHBondContact O-CB 3.33Å; E820-S823 PolarHBondContact O-N 3.01Å; E820-S823 PolarHBondContact O-OG 2.88Å; E820-M890 HydrophobicContact CB-CE 3.94Å; E820-M890 HydrophobicContact CB-SD 3.99Å
821L87.5Confident80.1Confident0 Ų049.5 Ų49.50%026%0.259CS..Hα-helixtrans-56.2-38.3-177.7-169.763.3000114.2S817 V818 S823 L824 D825 F828 Y829 L832 A886 M890S817-L821 PolarHBondContact O-N 3.38Å; V818-L821 WeakPolarHBondContact O-CB 3.36Å; V818-L821 PolarHBondContact O-N 2.94Å; L821-S823 PolarHBondContact O-N 2.78Å; L821-S823 VanDerWaalsContact O-N 3.12Å; L821-L824 HydrophobicContact CD1-CD2 4.31Å; L821-L824 PolarHBondContact O-N 3.08Å; L821-D825 PolarHBondContact O-N 3.19Å; L821-F828 HydrophobicContact CD1-CD1 4.04Å; L821-F828 HydrophobicContact CD1-CE1 4.47Å; L821-F828 HydrophobicContact CD2-CD1 3.9Å; L821-F828 HydrophobicContact CD2-CE1 4.28Å; L821-F828 HydrophobicContact CG-CD1 4.3Å; L821-Y829 HydrophobicContact CB-CD2 4.25Å; L821-Y829 HydrophobicContact CD2-CD2 4.33Å; L821-L832 HydrophobicContact CD2-CD1 3.67Å; L821-A886 HydrophobicContact CD2-CB 4.17Å; L821-M890 HydrophobicContact CB-SD 4.36Å; L821-M890 HydrophobicContact CD1-CG 4.08Å; L821-M890 HydrophobicContact CD1-SD 4.19Å
822P85Confident81.3Confident43 Ų4342.7 Ų42.728%0.27923%0.227SC..Hα-helixtrans-56.4-27.3173.6-24.733.4000113.9D819 L824 Y829D819-P822 WeakPolarHBondContact O-CD 3.37Å; P822-L824 VanDerWaalsContact C-N 3.34Å; P822-Y829 HydrophobicContact CG-CD1 3.89Å; P822-Y829 HydrophobicContact CG-CD2 3.77Å; P822-Y829 HydrophobicContact CG-CE1 4.15Å; P822-Y829 HydrophobicContact CG-CE2 4.03Å; P822-Y829 HydrophobicContact CG-CG 3.68Å
823S84.3Confident82.2Confident35 Ų3541.7 Ų41.725%0.24522%0.22CC..Hα-helixtrans-76.7-19.8177.979.60000113.6T755 E820 L821T755-S823 WeakPolarHBondContact CG2-O 3.39Å; E820-S823 VanDerWaalsContact O-CB 3.31Å; E820-S823 WeakPolarHBondContact O-CB 3.33Å; E820-S823 PolarHBondContact O-N 3.01Å; E820-S823 PolarHBondContact O-OG 2.88Å; L821-S823 PolarHBondContact O-N 2.78Å; L821-S823 VanDerWaalsContact O-N 3.12Å
824L88.5Confident83.4Confident8 Ų839.9 Ų39.94%0.04221%0.212CC..Hα-helixtrans-88.4-55.2171.2171.563.1000110.4T755 S756 Y762 F801 L821 P822 R889 M890T755-L824 WeakPolarHBondContact CB-O 3.13Å; S756-L824 PolarHBondContact N-O 3.29Å; Y762-L824 HydrophobicContact CD1-CD1 4.26Å; Y762-L824 HydrophobicContact CD2-CD1 4.46Å; Y762-L824 HydrophobicContact CE1-CD1 3.79Å; Y762-L824 HydrophobicContact CE2-CD1 4.03Å; F801-L824 HydrophobicContact CD1-CB 3.96Å; F801-L824 HydrophobicContact CE1-CB 3.76Å; F801-L824 HydrophobicContact CE1-CD1 3.71Å; F801-L824 HydrophobicContact CE1-CG 4.27Å; F801-L824 HydrophobicContact CZ-CB 4.38Å; F801-L824 HydrophobicContact CZ-CD1 3.75Å; F801-L824 HydrophobicContact CZ-CG 4.49Å; L821-L824 HydrophobicContact CD1-CD2 4.31Å; L821-L824 PolarHBondContact O-N 3.08Å; P822-L824 VanDerWaalsContact C-N 3.34Å; L824-R889 HydrophobicContact CD2-CB 4.15Å; L824-M890 HydrophobicContact CB-CG 4.46Å; L824-M890 HydrophobicContact CD2-CG 3.76Å
825D87.8Confident84.5Confident34 Ų3438.8 Ų38.818%0.18221%0.208CC..BIsolated β-bridgetrans-154.9104.4-173.8-170.8-28.7000110.9L821 E827 F828 Y829L821-D825 PolarHBondContact O-N 3.19Å; D825-E827 VanDerWaalsContact C-N 3.33Å; D825-E827 PolarHBondContact O-N 3.06Å; D825-E827 PolarHBondContact OD1-N 3.21Å; D825-F828 HydrophobicContact CB-CB 3.84Å; D825-F828 VanDerWaalsContact CG-CB 3.48Å; D825-F828 PolarHBondContact OD1-N 3.48Å; D825-Y829 PolarHBondContact O-N 3.39Å; D825-Y829 VanDerWaalsContact O-N 3.12Å
826S84.8Confident85Confident56 Ų5639.4 Ų39.439%0.39221%0.211SC..Hα-helixtrans-69.6-26.8-178.472.10000113.9K830S826-K830 WeakPolarHBondContact O-CG 3.45Å; S826-K830 PolarHBondContact O-N 2.82Å
827E87Confident85.2Confident134 Ų13444.1 Ų44.163%0.62623%0.228SC*.Hα-helixtrans-77.2-44.6178.7-174.3176-179.300110D825 Y829 K830 N831D825-E827 VanDerWaalsContact C-N 3.33Å; D825-E827 PolarHBondContact O-N 3.06Å; D825-E827 PolarHBondContact OD1-N 3.21Å; E827-Y829 VanDerWaalsContact C-N 3.3Å; E827-Y829 PolarHBondContact O-N 3.38Å; E827-K830 WeakPolarHBondContact O-CB 3.49Å; E827-K830 PolarHBondContact O-N 2.9Å; E827-K830 VanDerWaalsContact O-N 3.12Å; E827-N831 PolarHBondContact O-N 2.74Å
828F87.4Confident85.4Confident37 Ų3747.6 Ų47.616%0.16224%0.239CC..Hα-helixtrans-61.2-39175.1-171.3-107.6000112.4L821 D825 N831 L832 M885 R889L821-F828 HydrophobicContact CD1-CD1 4.04Å; L821-F828 HydrophobicContact CD1-CE1 4.47Å; L821-F828 HydrophobicContact CD2-CD1 3.9Å; L821-F828 HydrophobicContact CD2-CE1 4.28Å; L821-F828 HydrophobicContact CG-CD1 4.3Å; D825-F828 HydrophobicContact CB-CB 3.84Å; D825-F828 VanDerWaalsContact CG-CB 3.48Å; D825-F828 PolarHBondContact OD1-N 3.48Å; F828-N831 PolarHBondContact O-N 2.96Å; F828-L832 HydrophobicContact CD1-CD1 4.23Å; F828-L832 HydrophobicContact CD1-CG 4.46Å; F828-L832 HydrophobicContact CE1-CD1 3.67Å; F828-L832 HydrophobicContact CE1-CG 4.09Å; F828-L832 HydrophobicContact CZ-CD1 4.19Å; F828-L832 HydrophobicContact CZ-CD2 4.34Å; F828-L832 HydrophobicContact CZ-CG 4.28Å; F828-L832 PolarHBondContact O-N 3.21Å; F828-M885 HydrophobicContact CE1-CG 3.94Å; F828-M885 HydrophobicContact CZ-CG 3.52Å; F828-M885 HydrophobicContact CZ-SD 4.07Å; F828-R889 HydrophobicContact CE1-CG 3.9Å; F828-R889 HydrophobicContact CZ-CG 4.18Å
829Y87Confident85.1Confident19 Ų1954.9 Ų54.98%0.07528%0.277CS..Hα-helixtrans-57.8-47.5171.6171.4-100.6000112.2V818 L821 P822 D825 E827 N831 L832 T833V818-Y829 HydrophobicContact CG1-CE2 4.16Å; L821-Y829 HydrophobicContact CB-CD2 4.25Å; L821-Y829 HydrophobicContact CD2-CD2 4.33Å; P822-Y829 HydrophobicContact CG-CD1 3.89Å; P822-Y829 HydrophobicContact CG-CD2 3.77Å; P822-Y829 HydrophobicContact CG-CE1 4.15Å; P822-Y829 HydrophobicContact CG-CE2 4.03Å; P822-Y829 HydrophobicContact CG-CG 3.68Å; D825-Y829 PolarHBondContact O-N 3.39Å; D825-Y829 VanDerWaalsContact O-N 3.12Å; E827-Y829 VanDerWaalsContact C-N 3.3Å; E827-Y829 PolarHBondContact O-N 3.38Å; Y829-N831 VanDerWaalsContact C-N 3.27Å; Y829-N831 PolarHBondContact O-N 3.08Å; Y829-L832 PolarHBondContact O-N 3.35Å; Y829-T833 PolarHBondContact O-N 3.04Å; Y829-T833 PolarHBondContact O-OG1 2.7Å; Y829-T833 VanDerWaalsContact O-OG1 3.06Å
830K85.9Confident85.3Confident139 Ų13955.4 Ų55.460%0.60429%0.287SS*.Hα-helixtrans-59-40.1177.1-71.4169.5-175.3173.40111.7S826 E827 T833 S834S826-K830 WeakPolarHBondContact O-CG 3.45Å; S826-K830 PolarHBondContact O-N 2.82Å; E827-K830 WeakPolarHBondContact O-CB 3.49Å; E827-K830 PolarHBondContact O-N 2.9Å; E827-K830 VanDerWaalsContact O-N 3.12Å; K830-T833 PolarHBondContact O-N 3.31Å; K830-S834 PolarHBondContact O-N 2.85Å
831N87.9Confident85.3Confident86 Ų8657.9 Ų57.946%0.4630%0.302SS..Hα-helixtrans-63.3-45.5177.1-67.5-21000111.8E827 F828 Y829 S834 I835E827-N831 PolarHBondContact O-N 2.74Å; F828-N831 PolarHBondContact O-N 2.96Å; Y829-N831 VanDerWaalsContact C-N 3.27Å; Y829-N831 PolarHBondContact O-N 3.08Å; N831-S834 WeakPolarHBondContact O-CB 3.4Å; N831-S834 PolarHBondContact O-N 3.42Å; N831-S834 PolarHBondContact O-OG 3.29Å; N831-I835 PolarHBondContact O-N 2.96Å
832L88.1Confident85.3Confident6 Ų657.9 Ų57.93%0.03130%0.302CS..Hα-helixtrans-67-38.6176.1-67.5-172.3000113L821 F828 Y829 S834 I835 K836 Y881 I882 M885L821-L832 HydrophobicContact CD2-CD1 3.67Å; F828-L832 HydrophobicContact CD1-CD1 4.23Å; F828-L832 HydrophobicContact CD1-CG 4.46Å; F828-L832 HydrophobicContact CE1-CD1 3.67Å; F828-L832 HydrophobicContact CE1-CG 4.09Å; F828-L832 HydrophobicContact CZ-CD1 4.19Å; F828-L832 HydrophobicContact CZ-CD2 4.34Å; F828-L832 HydrophobicContact CZ-CG 4.28Å; F828-L832 PolarHBondContact O-N 3.21Å; Y829-L832 PolarHBondContact O-N 3.35Å; L832-S834 VanDerWaalsContact C-N 3.26Å; L832-S834 PolarHBondContact O-N 3.22Å; L832-I835 HydrophobicContact CD2-CD1 4.1Å; L832-I835 WeakPolarHBondContact O-CB 3.44Å; L832-I835 PolarHBondContact O-N 2.92Å; L832-I835 VanDerWaalsContact O-N 3.14Å; L832-K836 PolarHBondContact O-N 3.44Å; L832-Y881 HydrophobicContact CD2-CE1 4.34Å; L832-I882 HydrophobicContact CB-CG2 4.26Å; L832-I882 HydrophobicContact CD1-CG2 4.37Å; L832-M885 HydrophobicContact CD1-CB 4.27Å; L832-M885 HydrophobicContact CD1-CG 4.11Å; L832-M885 HydrophobicContact CD2-CG 4.18Å
833T84.5Confident85.3Confident12 Ų1258.1 Ų58.17%0.07430%0.304CS..Hα-helixtrans-65.1-31.5175.7-580000111.7Y829 K830 I835 K836 R837Y829-T833 PolarHBondContact O-N 3.04Å; Y829-T833 PolarHBondContact O-OG1 2.7Å; Y829-T833 VanDerWaalsContact O-OG1 3.06Å; K830-T833 PolarHBondContact O-N 3.31Å; T833-I835 VanDerWaalsContact C-N 3.29Å; T833-I835 PolarHBondContact O-N 3.33Å; T833-K836 WeakPolarHBondContact O-CB 3.28Å; T833-K836 PolarHBondContact O-N 2.58Å; T833-R837 PolarHBondContact O-N 3.1Å; T833-R837 VanDerWaalsContact O-N 3.12Å
834S86.1Confident85.4Confident69 Ų6962.2 Ų62.248%0.48332%0.323SS..Hα-helixtrans-63-34.9173.281.20000112.7K830 N831 L832 R837 Y838K830-S834 PolarHBondContact O-N 2.85Å; N831-S834 WeakPolarHBondContact O-CB 3.4Å; N831-S834 PolarHBondContact O-N 3.42Å; N831-S834 PolarHBondContact O-OG 3.29Å; L832-S834 VanDerWaalsContact C-N 3.26Å; L832-S834 PolarHBondContact O-N 3.22Å; S834-R837 CarbonylContact O-C 2.94Å; S834-R837 PolarHBondContact O-N 2.99Å; S834-Y838 PolarHBondContact O-N 3.37Å
835I86.6Confident85.3Confident17 Ų1765.6 Ų65.69%0.08734%0.341CS..Hα-helixtrans-67.1-39175-59.6170.8000110.5N831 L832 T833 R837 Y838 I842 L847 Y881N831-I835 PolarHBondContact O-N 2.96Å; L832-I835 HydrophobicContact CD2-CD1 4.1Å; L832-I835 WeakPolarHBondContact O-CB 3.44Å; L832-I835 PolarHBondContact O-N 2.92Å; L832-I835 VanDerWaalsContact O-N 3.14Å; T833-I835 VanDerWaalsContact C-N 3.29Å; T833-I835 PolarHBondContact O-N 3.33Å; I835-R837 VanDerWaalsContact C-N 3.31Å; I835-R837 PolarHBondContact O-N 2.99Å; I835-Y838 PolarHBondContact O-N 2.69Å; I835-I842 HydrophobicContact CG2-CD1 4.12Å; I835-I842 HydrophobicContact CG2-CG2 4.45Å; I835-L847 HydrophobicContact CD1-CD1 3.82Å; I835-L847 HydrophobicContact CG1-CD1 4.48Å; I835-Y881 HydrophobicContact CD1-CE1 3.86Å
836K83Confident85.2Confident48 Ų4867 Ų6721%0.20936%0.363CS..Hα-helixtrans-58.6-45.2175.1-175.6-179.3167.9-168.10110.9D546 E549 L832 T833 Y838 K878 I879 I882D546-K836 IonicContact OD2-NZ 3.89Å; D546-K836 PolarHBondContact OD2-NZ 3.01Å; E549-K836 IonicContact OE1-NZ 3.32Å; E549-K836 PolarHBondContact OE1-NZ 3.17Å; E549-K836 IonicContact OE2-NZ 3.51Å; E549-K836 PolarHBondContact OE2-NZ 2.94Å; L832-K836 PolarHBondContact O-N 3.44Å; T833-K836 WeakPolarHBondContact O-CB 3.28Å; T833-K836 PolarHBondContact O-N 2.58Å; K836-Y838 VanDerWaalsContact C-N 3.34Å; K836-K878 PolarHBondContact O-NZ 3.46Å; K836-K878 VanDerWaalsContact O-NZ 3.1Å; K836-I879 HydrophobicContact CG-CD1 4.1Å; K836-I882 HydrophobicContact CB-CD1 3.81Å
837R82Confident85.6Confident109 Ų10966.5 Ų66.541%0.41136%0.356SS..THydrogen-bonded Turntrans-86.86.8-176.5-62.5-179.7178.7-145.5-10.3114.4D546 E553 T833 S834 I835 D839D546-R837 IonicContact OD1-NH2 3.64Å; E553-R837 IonicContact OE1-CZ 3.95Å; E553-R837 IonicContact OE1-NH1 3.7Å; E553-R837 IonicContact OE1-NH2 3.73Å; E553-R837 PolarHBondContact OE1-NH2 3.49Å; T833-R837 PolarHBondContact O-N 3.1Å; T833-R837 VanDerWaalsContact O-N 3.12Å; S834-R837 CarbonylContact O-C 2.94Å; S834-R837 PolarHBondContact O-N 2.99Å; I835-R837 VanDerWaalsContact C-N 3.31Å; I835-R837 PolarHBondContact O-N 2.99Å; R837-D839 PolarHBondContact O-N 2.96Å
838Y84.2Confident85.8Confident86 Ų8662.3 Ų62.334%0.33734%0.34SS..  trans-73.3120.6178.1-171.5-105.5000110.6S834 I835 K836 G840 D841 I842S834-Y838 PolarHBondContact O-N 3.37Å; I835-Y838 PolarHBondContact O-N 2.69Å; K836-Y838 VanDerWaalsContact C-N 3.34Å; Y838-G840 WeakPolarHBondContact CD1-O 3.17Å; Y838-D841 WeakPolarHBondContact CE1-O 3.41Å; Y838-I842 HydrophobicContact CD1-CG1 3.72Å; Y838-I842 HydrophobicContact CG-CG1 4.46Å
839D77.1Confident86Confident171 Ų17161.2 Ų61.291%0.91434%0.335SS*.  trans-81-17.3-177.2-70.9-36.2000113.7R837R837-D839 PolarHBondContact O-N 2.96Å
840G84.3Confident86.2Confident30 Ų3060.9 Ų60.931%0.30934%0.336SS..SBendtrans-85.9-171.2-18000000114.4Y838 I842 N875Y838-G840 WeakPolarHBondContact CD1-O 3.17Å; G840-I842 PolarHBondContact O-N 3.32Å; G840-N875 PolarHBondContact O-ND2 3.45Å
841D83.1Confident86.5Confident77 Ų7756.2 Ų56.241%0.41232%0.315SS..  trans-77.7118.2169.5-165.9-5000110.3Y838 S843 D844Y838-D841 WeakPolarHBondContact CE1-O 3.41Å; D841-S843 PolarHBondContact O-N 3.24Å; D841-S843 PolarHBondContact OD1-N 2.96Å; D841-D844 VanDerWaalsContact O-CB 3.25Å; D841-D844 WeakPolarHBondContact O-CB 3.29Å; D841-D844 PolarHBondContact O-N 2.84Å
842I87.8Confident86.6Confident0 Ų056.3 Ų56.30%032%0.315CS..G310 helixtrans-65.3-22.7-178.3-70.9172.5000111.9I835 Y838 G840 D844 L845 V873 N875 K878I835-I842 HydrophobicContact CG2-CD1 4.12Å; I835-I842 HydrophobicContact CG2-CG2 4.45Å; Y838-I842 HydrophobicContact CD1-CG1 3.72Å; Y838-I842 HydrophobicContact CG-CG1 4.46Å; G840-I842 PolarHBondContact O-N 3.32Å; I842-D844 PolarHBondContact O-N 3.4Å; I842-D844 VanDerWaalsContact O-N 3.14Å; I842-L845 HydrophobicContact CG2-CD1 4.44Å; I842-L845 WeakPolarHBondContact O-CB 3.38Å; I842-L845 PolarHBondContact O-N 3.33Å; I842-V873 HydrophobicContact CG2-CB 4.19Å; I842-V873 HydrophobicContact CG2-CG1 3.71Å; I842-N875 WeakPolarHBondContact CD1-OD1 3.5Å; I842-K878 HydrophobicContact CD1-CB 3.44Å; I842-K878 VanDerWaalsContact CD1-CB 3.44Å; I842-K878 HydrophobicContact CD1-CD 3.07Å; I842-K878 HydrophobicContact CD1-CG 3.87Å; I842-K878 HydrophobicContact CG1-CD 4.49Å
843S84.7Confident86.6Confident48 Ų4857.5 Ų57.534%0.33632%0.32SS..G310 helixtrans-60.3-21.6173.9-65.90000112.8D841 L845 G846 V873D841-S843 PolarHBondContact O-N 3.24Å; D841-S843 PolarHBondContact OD1-N 2.96Å; S843-L845 PolarHBondContact O-N 2.64Å; S843-G846 PolarHBondContact O-N 3.35Å; S843-V873 WeakPolarHBondContact CA-O 3.43Å; S843-V873 PolarHBondContact OG-O 3.34Å; S843-V873 VanDerWaalsContact OG-O 3.07Å
844D84.9Confident86.6Confident120 Ų12062.3 Ų62.364%0.64235%0.346SS*.G310 helixtrans-66.2-23.9173.7-62.8-24.7000113D841 I842 G846D841-D844 VanDerWaalsContact O-CB 3.25Å; D841-D844 WeakPolarHBondContact O-CB 3.29Å; D841-D844 PolarHBondContact O-N 2.84Å; I842-D844 PolarHBondContact O-N 3.4Å; I842-D844 VanDerWaalsContact O-N 3.14Å; D844-G846 PolarHBondContact O-N 3.17Å
845L86.4Confident86.5Confident80 Ų8060 Ų6042%0.41933%0.328SS..G310 helixtrans-76.6-7.4179.2-60.8177.4000113I842 S843 L847I842-L845 HydrophobicContact CG2-CD1 4.44Å; I842-L845 WeakPolarHBondContact O-CB 3.38Å; I842-L845 PolarHBondContact O-N 3.33Å; S843-L845 PolarHBondContact O-N 2.64Å; L845-L847 HydrophobicContact CB-CD1 4.14Å; L845-L847 HydrophobicContact CB-CG 3.9Å; L845-L847 HydrophobicContact CD1-CD1 4.17Å; L845-L847 PolarHBondContact O-N 3.25Å; L845-L847 VanDerWaalsContact O-N 3.15Å
846G86.8Confident86.3Confident62 Ų6267 Ų6764%0.63936%0.363SS*.THydrogen-bonded Turntrans63.918.6178.800000114.5S843 D844S843-G846 PolarHBondContact O-N 3.35Å; D844-G846 PolarHBondContact O-N 3.17Å
847L91.9Very high86.4Confident46 Ų4667.9 Ų67.924%0.24139%0.386CS..  trans-72.7144.2179.5-61.9175.4000110.6I835 L845 V873 Y881I835-L847 HydrophobicContact CD1-CD1 3.82Å; I835-L847 HydrophobicContact CG1-CD1 4.48Å; L845-L847 HydrophobicContact CB-CD1 4.14Å; L845-L847 HydrophobicContact CB-CG 3.9Å; L845-L847 HydrophobicContact CD1-CD1 4.17Å; L845-L847 PolarHBondContact O-N 3.25Å; L845-L847 VanDerWaalsContact O-N 3.15Å; L847-V873 HydrophobicContact CB-CB 3.9Å; L847-V873 HydrophobicContact CB-CG2 3.71Å; L847-V873 PolarHBondContact O-N 3.45Å; L847-Y881 HydrophobicContact CD1-CE1 4.12Å
848T92.5Very high86.6Confident47 Ų4769.4 Ų69.429%0.28840%0.398SS..BIsolated β-bridgetrans-120.8164.6173.850.90000109.5S850 I871 Y881T848-S850 PolarHBondContact O-N 2.78Å; T848-S850 PolarHBondContact OG1-OG 3Å; T848-I871 WeakPolarHBondContact CA-O 3.39Å; T848-Y881 WeakPolarHBondContact O-CE2 3.45Å
849L90.4Very high86.8Confident14 Ų1471 Ų717%0.07341%0.411CS..SBendtrans-75.249.5173.6-65.9179.3000111.9L864 V865 G868 I871 V873 Y881 L884L849-L864 WeakPolarHBondContact O-CB 3.32Å; L849-L864 PolarHBondContact O-N 2.85Å; L849-V865 HydrophobicContact CB-CG2 3.96Å; L849-V865 HydrophobicContact CD1-CG2 3.72Å; L849-G868 PolarHBondContact N-O 3.29Å; L849-G868 WeakPolarHBondContact O-CA 3.44Å; L849-I871 HydrophobicContact CD1-CB 4.03Å; L849-I871 HydrophobicContact CD1-CD1 4.4Å; L849-I871 HydrophobicContact CD1-CG2 3.63Å; L849-I871 HydrophobicContact CG-CB 4.35Å; L849-I871 HydrophobicContact CG-CG2 4.18Å; L849-I871 PolarHBondContact N-O 2.79Å; L849-V873 HydrophobicContact CD2-CG2 4.17Å; L849-Y881 HydrophobicContact CD2-CD2 3.82Å; L849-Y881 HydrophobicContact CD2-CG 4.29Å; L849-L884 HydrophobicContact CD2-CD1 4.43Å
850S92.6Very high87.4Confident11 Ų1165.1 Ų65.18%0.07738%0.382CS..EExtended strand (participates in β ladder)trans-141.7163.8175.642.10000111.8T848 H862T848-S850 PolarHBondContact O-N 2.78Å; T848-S850 PolarHBondContact OG1-OG 3Å; S850-H862 CarbonylContact C-O 3Å; S850-H862 WeakPolarHBondContact CA-O 3.36Å; S850-H862 VanDerWaalsContact CB-O 3.22Å; S850-H862 WeakPolarHBondContact CB-O 3.41Å
851Y91.4Very high87.7Confident42 Ų4265.5 Ų65.517%0.16538%0.379CS..EExtended strand (participates in β ladder)trans-128.4123.6178176.9-113.9000110E853 H862 M885 F888 R889Y851-E853 HydrophobicContact CD1-CB 4.22Å; Y851-E853 HydrophobicContact CE1-CB 3.68Å; Y851-E853 HydrophobicContact CE1-CG 4.1Å; Y851-H862 PolarHBondContact N-O 3.5Å; Y851-H862 PolarHBondContact O-N 2.89Å; Y851-M885 HydrophobicContact CD2-CE 3.87Å; Y851-M885 HydrophobicContact CD2-SD 3.71Å; Y851-M885 HydrophobicContact CG-CE 4.27Å; Y851-M885 HydrophobicContact CG-SD 3.97Å; Y851-F888 HydrophobicContact CD1-CD1 4.06Å; Y851-F888 AromaticContact CD1-CE1 3.49Å; Y851-F888 HydrophobicContact CD1-CE1 3.49Å; Y851-F888 VanDerWaalsContact CD1-CE1 3.49Å; Y851-F888 HydrophobicContact CD1-CZ 4.34Å; Y851-F888 HydrophobicContact CE1-CE1 4.07Å; Y851-F888 HydrophobicContact CG-CE1 4.31Å; Y851-R889 PolarHBondContact OH-NH1 3.41Å
852D89.8Confident88.1Confident87 Ų8764.6 Ų64.647%0.46537%0.372SS..EExtended strand (participates in β ladder)trans-95.2121175.4-65.5-27.6000109.7L859 C861D852-L859 HydrophobicContact CB-CD1 4.29Å; D852-L859 HydrophobicContact CB-CD2 4.21Å; D852-L859 HydrophobicContact CB-CG 4.23Å; D852-C861 WeakPolarHBondContact OD1-CA 3.49Å; D852-C861 WeakPolarHBondContact OD1-CB 2.98Å; D852-C861 PolarHBondContact OD1-SG 2.64Å
853E87.5Confident88.2Confident31 Ų3168.9 Ų68.915%0.14539%0.392CS..EExtended strand (participates in β ladder)trans-115.9133.5178.2-168.5164.9-13900110.3Y851 V855 V860 H862 R889Y851-E853 HydrophobicContact CD1-CB 4.22Å; Y851-E853 HydrophobicContact CE1-CB 3.68Å; Y851-E853 HydrophobicContact CE1-CG 4.1Å; E853-V855 HydrophobicContact CB-CG2 4.41Å; E853-V855 HydrophobicContact CG-CG2 4.08Å; E853-V855 PolarHBondContact O-N 3.22Å; E853-V860 PolarHBondContact N-O 3.31Å; E853-V860 PolarHBondContact O-N 3.09Å; E853-H862 IonicContact OE2-NE2 3.14Å; E853-R889 IonicContact OE1-NH1 2.77Å; E853-R889 PolarHBondContact OE1-NH1 3.1Å
854D86.1Confident88.5Confident114 Ų11467.8 Ų67.861%0.6138%0.383SS*.EExtended strand (participates in β ladder)trans-83.2109.7169-175.2-9.2000109.4G857D854-G857 WeakPolarHBondContact OD1-CA 3.48Å; D854-G857 PolarHBondContact OD1-N 3.49Å
855V83.6Confident88.5Confident19 Ų1964 Ų6412%0.11536%0.363CS..EExtended strand (participates in β ladder)trans-110.3101.4176.8-177.90000108.3T766 Y768 E853 G857 Q858 V860T766-V855 HydrophobicContact CG2-CG1 4.39Å; Y768-V855 VanDerWaalsContact OH-CG1 3.25Å; Y768-V855 WeakPolarHBondContact OH-CG1 3.35Å; E853-V855 HydrophobicContact CB-CG2 4.41Å; E853-V855 HydrophobicContact CG-CG2 4.08Å; E853-V855 PolarHBondContact O-N 3.22Å; V855-G857 VanDerWaalsContact C-N 3.26Å; V855-G857 PolarHBondContact O-N 3.46Å; V855-Q858 PolarHBondContact N-O 3.45Å; V855-Q858 PolarHBondContact O-N 2.89Å; V855-V860 HydrophobicContact CB-CG2 4.15Å; V855-V860 HydrophobicContact CG2-CB 4.35Å; V855-V860 HydrophobicContact CG2-CG2 4.06Å
856M81.8Confident88.5Confident164 Ų16466.2 Ų66.281%0.80838%0.383SS*.THydrogen-bonded Turntrans55.936177.6-55.6178.57400113.8I769I769-M856 HydrophobicContact CD1-SD 3.75Å; I769-M856 HydrophobicContact CG1-SD 4.48Å
857G84.9Confident88.6Confident68 Ų6864.7 Ų64.770%0.70137%0.368SS*.THydrogen-bonded Turntrans89-1-179.100000114.2D854 V855D854-G857 WeakPolarHBondContact OD1-CA 3.48Å; D854-G857 PolarHBondContact OD1-N 3.49Å; V855-G857 VanDerWaalsContact C-N 3.26Å; V855-G857 PolarHBondContact O-N 3.46Å
858Q86.8Confident88.5Confident140 Ų14062.5 Ų62.565%0.65436%0.356SS*.EExtended strand (participates in β ladder)trans-104.3122.8173.1-175176.3-4.200110.2V855 V860V855-Q858 PolarHBondContact N-O 3.45Å; V855-Q858 PolarHBondContact O-N 2.89Å; Q858-V860 HydrophobicContact CG-CG2 4.43Å; Q858-V860 PolarHBondContact O-N 2.94Å
859L88.3Confident88.3Confident119 Ų11964.8 Ų64.862%0.62336%0.362SS*.EExtended strand (participates in β ladder)trans-73.4111.4173.3-159.291.7000109.8D852D852-L859 HydrophobicContact CB-CD1 4.29Å; D852-L859 HydrophobicContact CB-CD2 4.21Å; D852-L859 HydrophobicContact CB-CG 4.23Å
860V89.8Confident88.2Confident48 Ų4869.9 Ų69.929%0.29139%0.394SS..EExtended strand (participates in β ladder)trans-104.9120.8175.8-176.70000108.9E853 V855 Q858 H862E853-V860 PolarHBondContact N-O 3.31Å; E853-V860 PolarHBondContact O-N 3.09Å; V855-V860 HydrophobicContact CB-CG2 4.15Å; V855-V860 HydrophobicContact CG2-CB 4.35Å; V855-V860 HydrophobicContact CG2-CG2 4.06Å; Q858-V860 HydrophobicContact CG-CG2 4.43Å; Q858-V860 PolarHBondContact O-N 2.94Å; V860-H862 WeakPolarHBondContact CG1-NE2 3.48Å
861C90.3Very high88.1Confident38 Ų3872.2 Ų72.226%0.25741%0.405SS..EExtended strand (participates in β ladder)trans-99.8109.9-178.5178.10000110.9D852 K869D852-C861 WeakPolarHBondContact OD1-CA 3.49Å; D852-C861 WeakPolarHBondContact OD1-CB 2.98Å; D852-C861 PolarHBondContact OD1-SG 2.64Å; C861-K869 VanDerWaalsContact CB-NZ 3.34Å; C861-K869 PolarHBondContact O-NZ 3.38Å; C861-K869 VanDerWaalsContact O-NZ 3.11Å; C861-K869 WeakPolarHBondContact SG-CE 3.41Å; C861-K869 PolarHBondContact SG-NZ 3.3Å
862H90.9Very high88Confident58 Ų5873.5 Ų73.527%0.26942%0.418SS..EExtended strand (participates in β ladder)trans-92.4126.2179.8-62.4-84000111.6S850 Y851 E853 V860 F888S850-H862 CarbonylContact C-O 3Å; S850-H862 WeakPolarHBondContact CA-O 3.36Å; S850-H862 VanDerWaalsContact CB-O 3.22Å; S850-H862 WeakPolarHBondContact CB-O 3.41Å; Y851-H862 PolarHBondContact N-O 3.5Å; Y851-H862 PolarHBondContact O-N 2.89Å; E853-H862 IonicContact OE2-NE2 3.14Å; V860-H862 WeakPolarHBondContact CG1-NE2 3.48Å; H862-F888 HydrophobicContact CB-CE1 4.38Å; H862-F888 HydrophobicContact CB-CE2 3.8Å; H862-F888 HydrophobicContact CB-CZ 3.6Å; H862-F888 AromaticContact CD2-CZ 3.93Å; H862-F888 AromaticContact CG-CZ 3.5Å; H862-F888 VanDerWaalsContact CG-CZ 3.5Å; H862-F888 AromaticContact ND1-CZ 3.82Å
863E91.5Very high88Confident90 Ų9069.4 Ų69.442%0.42140%0.396SS..EExtended strand (participates in β ladder)trans-82.2126.2175.1-64.7-16616400111.2V865 G867 K869E863-V865 WeakPolarHBondContact CB-O 3.19Å; E863-G867 PolarHBondContact OE2-N 3.32Å; E863-K869 HydrophobicContact CG-CD 4.2Å; E863-K869 VanDerWaalsContact CG-CE 3.43Å; E863-K869 HydrophobicContact CG-CG 3.85Å; E863-K869 WeakPolarHBondContact OE1-CD 2.85Å; E863-K869 VanDerWaalsContact OE1-CE 3.32Å; E863-K869 WeakPolarHBondContact OE1-CE 3.49Å; E863-K869 WeakPolarHBondContact OE1-CG 3.35Å
864L90.3Very high88Confident25 Ų2569.8 Ų69.813%0.13140%0.401CS..SBendtrans-77.1-29.2177.5-59.7178000112L849 Y881 L884 M885 F888L849-L864 WeakPolarHBondContact O-CB 3.32Å; L849-L864 PolarHBondContact O-N 2.85Å; L864-Y881 HydrophobicContact CD1-CD2 3.91Å; L864-Y881 HydrophobicContact CD1-CE2 3.94Å; L864-L884 HydrophobicContact CB-CB 4.18Å; L864-L884 HydrophobicContact CD1-CB 4.15Å; L864-M885 HydrophobicContact CD1-CB 4.42Å; L864-M885 HydrophobicContact CD1-CE 4.02Å; L864-M885 HydrophobicContact CD2-SD 4.48Å; L864-F888 HydrophobicContact CD2-CB 3.63Å; L864-F888 HydrophobicContact CD2-CD1 4.47Å; L864-F888 HydrophobicContact CD2-CD2 4.25Å; L864-F888 HydrophobicContact CD2-CG 3.86Å
865V85.3Confident87.8Confident40 Ų4067.8 Ų67.824%0.24239%0.39CS..SBendtrans-135.8154.6172-630000108.7L849 E863 G867 G868 I871 L884L849-V865 HydrophobicContact CB-CG2 3.96Å; L849-V865 HydrophobicContact CD1-CG2 3.72Å; E863-V865 WeakPolarHBondContact CB-O 3.19Å; V865-G867 PolarHBondContact O-N 2.8Å; V865-G867 VanDerWaalsContact O-N 3.16Å; V865-G868 WeakPolarHBondContact O-CA 3.5Å; V865-G868 PolarHBondContact O-N 3.21Å; V865-I871 HydrophobicContact CG2-CD1 4.07Å; V865-L884 HydrophobicContact CG1-CD1 3.7Å; V865-L884 HydrophobicContact CG1-CD2 4.28Å
866P86.9Confident87.4Confident127 Ų12776 Ų7683%0.82543%0.427SS*.THydrogen-bonded Turntrans-53.7122176.7-26.135000112.2G868P866-G868 VanDerWaalsContact C-N 3.31Å
867G87.9Confident87.4Confident31 Ų3169.6 Ų69.632%0.3240%0.396SS..THydrogen-bonded Turntrans7812.4-17700000114.6E863 V865 K869 T870E863-G867 PolarHBondContact OE2-N 3.32Å; V865-G867 PolarHBondContact O-N 2.8Å; V865-G867 VanDerWaalsContact O-N 3.16Å; G867-K869 PolarHBondContact O-N 2.91Å; G867-K869 VanDerWaalsContact O-N 3.12Å; G867-T870 PolarHBondContact O-N 3.09Å; G867-T870 PolarHBondContact O-OG1 3.22Å
868G89Confident87.4Confident0 Ų068.2 Ų68.20%037%0.371CS..G310 helixtrans-58.5-25.9-172.900000115.2L849 V865 P866 T870 I871L849-G868 PolarHBondContact N-O 3.29Å; L849-G868 WeakPolarHBondContact O-CA 3.44Å; V865-G868 WeakPolarHBondContact O-CA 3.5Å; V865-G868 PolarHBondContact O-N 3.21Å; P866-G868 VanDerWaalsContact C-N 3.31Å; G868-T870 PolarHBondContact O-N 3.19Å; G868-T870 VanDerWaalsContact O-N 3.15Å; G868-I871 PolarHBondContact O-N 3.25Å
869K89.3Confident87.2Confident95 Ų9565.1 Ų65.141%0.41336%0.358SS..G310 helixtrans-59.5-25.9175.2-62-179.5-163.5-154.70113.3C861 E863 G867C861-K869 VanDerWaalsContact CB-NZ 3.34Å; C861-K869 PolarHBondContact O-NZ 3.38Å; C861-K869 VanDerWaalsContact O-NZ 3.11Å; C861-K869 WeakPolarHBondContact SG-CE 3.41Å; C861-K869 PolarHBondContact SG-NZ 3.3Å; E863-K869 HydrophobicContact CG-CD 4.2Å; E863-K869 VanDerWaalsContact CG-CE 3.43Å; E863-K869 HydrophobicContact CG-CG 3.85Å; E863-K869 WeakPolarHBondContact OE1-CD 2.85Å; E863-K869 VanDerWaalsContact OE1-CE 3.32Å; E863-K869 WeakPolarHBondContact OE1-CE 3.49Å; E863-K869 WeakPolarHBondContact OE1-CG 3.35Å; G867-K869 PolarHBondContact O-N 2.91Å; G867-K869 VanDerWaalsContact O-N 3.12Å
870T88.8Confident86.9Confident120 Ų12062.7 Ų62.774%0.73635%0.351SS*.G310 helixtrans-97.1-5.4-17964.40000113.2G867 G868 P872G867-T870 PolarHBondContact O-N 3.09Å; G867-T870 PolarHBondContact O-OG1 3.22Å; G868-T870 PolarHBondContact O-N 3.19Å; G868-T870 VanDerWaalsContact O-N 3.15Å; T870-P872 WeakPolarHBondContact O-CD 3.22Å
871I89.1Confident86.9Confident61 Ų6161.2 Ų61.231%0.31334%0.341SS..SBendtrans-102.6110.8-175.9-55.1174000108.3T848 L849 V865 G868T848-I871 WeakPolarHBondContact CA-O 3.39Å; L849-I871 HydrophobicContact CD1-CB 4.03Å; L849-I871 HydrophobicContact CD1-CD1 4.4Å; L849-I871 HydrophobicContact CD1-CG2 3.63Å; L849-I871 HydrophobicContact CG-CB 4.35Å; L849-I871 HydrophobicContact CG-CG2 4.18Å; L849-I871 PolarHBondContact N-O 2.79Å; V865-I871 HydrophobicContact CG2-CD1 4.07Å; G868-I871 PolarHBondContact O-N 3.25Å
872P90.6Very high86.8Confident69 Ų6960 Ų6045%0.44833%0.331SS..BIsolated β-bridgetrans-71.3150.5177.429.8-34.3000111.3T870 N877T870-P872 WeakPolarHBondContact O-CD 3.22Å; P872-N877 PolarHBondContact O-ND2 3.28Å
873V89.6Confident86.5Confident0 Ų060.5 Ų60.50%033%0.334CS..  trans-79.7127.8169.5-172.90000108.9I842 S843 L847 L849 N877 K878 Y881I842-V873 HydrophobicContact CG2-CB 4.19Å; I842-V873 HydrophobicContact CG2-CG1 3.71Å; S843-V873 WeakPolarHBondContact CA-O 3.43Å; S843-V873 PolarHBondContact OG-O 3.34Å; S843-V873 VanDerWaalsContact OG-O 3.07Å; L847-V873 HydrophobicContact CB-CB 3.9Å; L847-V873 HydrophobicContact CB-CG2 3.71Å; L847-V873 PolarHBondContact O-N 3.45Å; L849-V873 HydrophobicContact CD2-CG2 4.17Å; V873-N877 VanDerWaalsContact CA-OD1 3.24Å; V873-N877 WeakPolarHBondContact CA-OD1 3.32Å; V873-N877 WeakPolarHBondContact CG1-OD1 3.43Å; V873-K878 HydrophobicContact CG1-CB 4.4Å; V873-Y881 HydrophobicContact CG1-CD1 4.3Å; V873-Y881 HydrophobicContact CG1-CG 4.12Å; V873-Y881 HydrophobicContact CG2-CD1 4.35Å; V873-Y881 HydrophobicContact CG2-CD2 3.7Å; V873-Y881 HydrophobicContact CG2-CE2 4.15Å; V873-Y881 HydrophobicContact CG2-CG 3.78Å
874T87.7Confident86.3Confident39 Ų3958.7 Ų58.724%0.23933%0.327CS..  trans-124.7168.6-17971.40000109.7E876 N877 K878T874-E876 PolarHBondContact O-N 3.09Å; T874-E876 VanDerWaalsContact O-N 3.14Å; T874-E876 PolarHBondContact OG1-N 3.08Å; T874-N877 PolarHBondContact N-OD1 3.15Å; T874-N877 PolarHBondContact O-N 3.49Å; T874-N877 VanDerWaalsContact O-N 3.12Å; T874-N877 PolarHBondContact O-OD1 2.96Å; T874-N877 VanDerWaalsContact O-OD1 3.13Å; T874-N877 PolarHBondContact OG1-N 2.7Å; T874-K878 WeakPolarHBondContact O-CB 2.88Å; T874-K878 PolarHBondContact O-N 3.24Å
875N81.1Confident86.3Confident73 Ų7357.7 Ų57.739%0.3932%0.321SS..THydrogen-bonded Turntrans-58.3-25.6174-84.6-44.5000114.1G840 I842G840-N875 PolarHBondContact O-ND2 3.45Å; I842-N875 WeakPolarHBondContact CD1-OD1 3.5Å
876E76.6Confident86.5Confident190 Ų19055.8 Ų55.889%0.88831%0.31SS*.THydrogen-bonded Turntrans-76.6-31.9177.8-60.8-175.5170.600112.7T874T874-E876 PolarHBondContact O-N 3.09Å; T874-E876 VanDerWaalsContact O-N 3.14Å; T874-E876 PolarHBondContact OG1-N 3.08Å
877N81.2Confident86.6Confident31 Ų3153.4 Ų53.417%0.16629%0.288CS..THydrogen-bonded Turntrans-111-0-175.274.518.5000114.2P872 V873 T874 I879 S880 Y881P872-N877 PolarHBondContact O-ND2 3.28Å; V873-N877 VanDerWaalsContact CA-OD1 3.24Å; V873-N877 WeakPolarHBondContact CA-OD1 3.32Å; V873-N877 WeakPolarHBondContact CG1-OD1 3.43Å; T874-N877 PolarHBondContact N-OD1 3.15Å; T874-N877 PolarHBondContact O-N 3.49Å; T874-N877 VanDerWaalsContact O-N 3.12Å; T874-N877 PolarHBondContact O-OD1 2.96Å; T874-N877 VanDerWaalsContact O-OD1 3.13Å; T874-N877 PolarHBondContact OG1-N 2.7Å; N877-I879 VanDerWaalsContact C-N 3.28Å; N877-I879 PolarHBondContact O-N 3.47Å; N877-S880 WeakPolarHBondContact O-CA 3.29Å; N877-S880 WeakPolarHBondContact O-CB 3.32Å; N877-S880 PolarHBondContact O-N 2.99Å; N877-Y881 PolarHBondContact O-N 3.29Å
878K85.6Confident86.8Confident38 Ų3852.6 Ų52.617%0.16528%0.275CS..Hα-helixtrans-53.3-41.2-177.472.3179.5-176.3174.30114.1K836 I842 V873 T874 Y881 I882K836-K878 PolarHBondContact O-NZ 3.46Å; K836-K878 VanDerWaalsContact O-NZ 3.1Å; I842-K878 HydrophobicContact CD1-CB 3.44Å; I842-K878 VanDerWaalsContact CD1-CB 3.44Å; I842-K878 HydrophobicContact CD1-CD 3.07Å; I842-K878 HydrophobicContact CD1-CG 3.87Å; I842-K878 HydrophobicContact CG1-CD 4.49Å; V873-K878 HydrophobicContact CG1-CB 4.4Å; T874-K878 WeakPolarHBondContact O-CB 2.88Å; T874-K878 PolarHBondContact O-N 3.24Å; K878-Y881 PolarHBondContact O-N 3.02Å; K878-I882 WeakPolarHBondContact O-CG1 3.49Å; K878-I882 PolarHBondContact O-N 3Å; K878-I882 VanDerWaalsContact O-N 3.1Å
879I82.4Confident86.8Confident75 Ų7554.1 Ų54.139%0.38528%0.281SS..Hα-helixtrans-67.9-43.5179.7-56.7-58000109.5K836 N877 Y881 I882 H883K836-I879 HydrophobicContact CG-CD1 4.1Å; N877-I879 VanDerWaalsContact C-N 3.28Å; N877-I879 PolarHBondContact O-N 3.47Å; I879-Y881 VanDerWaalsContact C-N 3.33Å; I879-Y881 PolarHBondContact O-N 2.84Å; I879-I882 PolarHBondContact O-N 3.11Å; I879-H883 PolarHBondContact O-CD2 3.41Å; I879-H883 VanDerWaalsContact O-CD2 3.22Å; I879-H883 PolarHBondContact O-N 3Å; I879-H883 VanDerWaalsContact O-N 3.1Å
880S82Confident86.8Confident69 Ų6949.6 Ų49.648%0.48326%0.261SS..Hα-helixtrans-60.1-42175-55.70000112.1N877 H883 L884N877-S880 WeakPolarHBondContact O-CA 3.29Å; N877-S880 WeakPolarHBondContact O-CB 3.32Å; N877-S880 PolarHBondContact O-N 2.99Å; S880-H883 PolarHBondContact O-N 3.43Å; S880-L884 WeakPolarHBondContact O-CB 3.46Å; S880-L884 WeakPolarHBondContact O-CD1 3.3Å; S880-L884 WeakPolarHBondContact O-CG 3.42Å; S880-L884 PolarHBondContact O-N 3.04Å
881Y87.9Confident86.8Confident17 Ų1745 Ų457%0.06723%0.232CC..Hα-helixtrans-58.1-48174.6170.4-105000112.2L832 I835 L847 T848 L849 L864 V873 N877 K878 I879 H883 L884 M885L832-Y881 HydrophobicContact CD2-CE1 4.34Å; I835-Y881 HydrophobicContact CD1-CE1 3.86Å; L847-Y881 HydrophobicContact CD1-CE1 4.12Å; T848-Y881 WeakPolarHBondContact O-CE2 3.45Å; L849-Y881 HydrophobicContact CD2-CD2 3.82Å; L849-Y881 HydrophobicContact CD2-CG 4.29Å; L864-Y881 HydrophobicContact CD1-CD2 3.91Å; L864-Y881 HydrophobicContact CD1-CE2 3.94Å; V873-Y881 HydrophobicContact CG1-CD1 4.3Å; V873-Y881 HydrophobicContact CG1-CG 4.12Å; V873-Y881 HydrophobicContact CG2-CD1 4.35Å; V873-Y881 HydrophobicContact CG2-CD2 3.7Å; V873-Y881 HydrophobicContact CG2-CE2 4.15Å; V873-Y881 HydrophobicContact CG2-CG 3.78Å; N877-Y881 PolarHBondContact O-N 3.29Å; K878-Y881 PolarHBondContact O-N 3.02Å; I879-Y881 VanDerWaalsContact C-N 3.33Å; I879-Y881 PolarHBondContact O-N 2.84Å; Y881-H883 PolarHBondContact O-N 3.08Å; Y881-L884 PolarHBondContact O-N 3.33Å; Y881-M885 HydrophobicContact CE2-CE 3.66Å; Y881-M885 VanDerWaalsContact O-CB 3.29Å; Y881-M885 WeakPolarHBondContact O-CB 3.41Å; Y881-M885 PolarHBondContact O-N 3.21Å; Y881-M885 VanDerWaalsContact OH-CE 3.23Å; Y881-M885 WeakPolarHBondContact OH-CE 3.06Å
882I88.4Confident86.8Confident11 Ų1145 Ų456%0.05624%0.235CC..Hα-helixtrans-58-47.9178.9-68.4165.2000111.1V818 L832 K836 K878 I879 M885 A886V818-I882 HydrophobicContact CG1-CG2 4.47Å; V818-I882 HydrophobicContact CG2-CG2 3.96Å; L832-I882 HydrophobicContact CB-CG2 4.26Å; L832-I882 HydrophobicContact CD1-CG2 4.37Å; K836-I882 HydrophobicContact CB-CD1 3.81Å; K878-I882 WeakPolarHBondContact O-CG1 3.49Å; K878-I882 PolarHBondContact O-N 3Å; K878-I882 VanDerWaalsContact O-N 3.1Å; I879-I882 PolarHBondContact O-N 3.11Å; I882-M885 PolarHBondContact O-N 3.2Å; I882-A886 WeakPolarHBondContact O-CB 3.36Å; I882-A886 PolarHBondContact O-N 3.27Å
883H85.9Confident86.8Confident70 Ų7042.9 Ų42.932%0.32422%0.219SC..Hα-helixtrans-65.3-43.2178.6-78.8-80.2000112.6V818 I879 S880 Y881 M885 A886 H887V818-H883 WeakPolarHBondContact CG2-ND1 3.3Å; I879-H883 PolarHBondContact O-CD2 3.41Å; I879-H883 VanDerWaalsContact O-CD2 3.22Å; I879-H883 PolarHBondContact O-N 3Å; I879-H883 VanDerWaalsContact O-N 3.1Å; S880-H883 PolarHBondContact O-N 3.43Å; Y881-H883 PolarHBondContact O-N 3.08Å; H883-M885 VanDerWaalsContact C-N 3.35Å; H883-A886 PolarHBondContact O-N 3.2Å; H883-H887 VanDerWaalsContact O-CB 3.24Å; H883-H887 WeakPolarHBondContact O-CB 3.3Å; H883-H887 PolarHBondContact O-N 3.03Å
884L87.1Confident87Confident52 Ų5243 Ų4327%0.27222%0.219SC..Hα-helixtrans-63.1-42178.3-75168.5000111.6L849 L864 V865 S880 Y881 H887 F888L849-L884 HydrophobicContact CD2-CD1 4.43Å; L864-L884 HydrophobicContact CB-CB 4.18Å; L864-L884 HydrophobicContact CD1-CB 4.15Å; V865-L884 HydrophobicContact CG1-CD1 3.7Å; V865-L884 HydrophobicContact CG1-CD2 4.28Å; S880-L884 WeakPolarHBondContact O-CB 3.46Å; S880-L884 WeakPolarHBondContact O-CD1 3.3Å; S880-L884 WeakPolarHBondContact O-CG 3.42Å; S880-L884 PolarHBondContact O-N 3.04Å; Y881-L884 PolarHBondContact O-N 3.33Å; L884-H887 PolarHBondContact O-N 3.19Å; L884-F888 WeakPolarHBondContact O-CB 3.43Å; L884-F888 PolarHBondContact O-N 3.07Å
885M90.5Very high87.2Confident3 Ų347.1 Ų47.12%0.01523%0.234CC..Hα-helixtrans-64.7-48.2177.4-174.462.478.500111.5F828 L832 Y851 L864 Y881 I882 H883 H887 F888 R889F828-M885 HydrophobicContact CE1-CG 3.94Å; F828-M885 HydrophobicContact CZ-CG 3.52Å; F828-M885 HydrophobicContact CZ-SD 4.07Å; L832-M885 HydrophobicContact CD1-CB 4.27Å; L832-M885 HydrophobicContact CD1-CG 4.11Å; L832-M885 HydrophobicContact CD2-CG 4.18Å; Y851-M885 HydrophobicContact CD2-CE 3.87Å; Y851-M885 HydrophobicContact CD2-SD 3.71Å; Y851-M885 HydrophobicContact CG-CE 4.27Å; Y851-M885 HydrophobicContact CG-SD 3.97Å; L864-M885 HydrophobicContact CD1-CB 4.42Å; L864-M885 HydrophobicContact CD1-CE 4.02Å; L864-M885 HydrophobicContact CD2-SD 4.48Å; Y881-M885 HydrophobicContact CE2-CE 3.66Å; Y881-M885 VanDerWaalsContact O-CB 3.29Å; Y881-M885 WeakPolarHBondContact O-CB 3.41Å; Y881-M885 PolarHBondContact O-N 3.21Å; Y881-M885 VanDerWaalsContact OH-CE 3.23Å; Y881-M885 WeakPolarHBondContact OH-CE 3.06Å; I882-M885 PolarHBondContact O-N 3.2Å; H883-M885 VanDerWaalsContact C-N 3.35Å; M885-H887 PolarHBondContact O-N 3.42Å; M885-F888 PolarHBondContact O-N 2.96Å; M885-R889 WeakPolarHBondContact O-CG 3.18Å; M885-R889 PolarHBondContact O-N 3.22Å
886A89.9Confident87.9Confident0 Ų046 Ų460%023%0.232CC..Hα-helixtrans-60.3-44.7176.700000111.7V818 L821 I882 H883 F888 R889 M890V818-A886 HydrophobicContact CG2-CB 4.06Å; L821-A886 HydrophobicContact CD2-CB 4.17Å; I882-A886 WeakPolarHBondContact O-CB 3.36Å; I882-A886 PolarHBondContact O-N 3.27Å; H883-A886 PolarHBondContact O-N 3.2Å; A886-F888 PolarHBondContact O-N 3.43Å; A886-R889 PolarHBondContact O-N 3.2Å; A886-M890 WeakPolarHBondContact O-CB 3.15Å; A886-M890 WeakPolarHBondContact O-CG 3.26Å; A886-M890 PolarHBondContact O-N 3.32Å
887H89Confident88.8Confident78 Ų7837.2 Ų37.236%0.36119%0.19SC..Hα-helixtrans-63.1-40.6176.1177.7-90.9000112.1H883 L884 M885 H891 T892H883-H887 VanDerWaalsContact O-CB 3.24Å; H883-H887 WeakPolarHBondContact O-CB 3.3Å; H883-H887 PolarHBondContact O-N 3.03Å; L884-H887 PolarHBondContact O-N 3.19Å; M885-H887 PolarHBondContact O-N 3.42Å; H887-H891 AromaticContact CE1-CD2 3.79Å; H887-H891 AromaticContact NE2-CD2 3.52Å; H887-H891 WeakPolarHBondContact O-CA 3.49Å; H887-H891 WeakPolarHBondContact O-CB 2.97Å; H887-H891 PolarHBondContact O-N 3.43Å; H887-T892 PolarHBondContact CE1-OG1 3.39Å; H887-T892 PolarHBondContact ND1-OG1 2.96Å; H887-T892 PolarHBondContact O-N 3.34Å; H887-T892 VanDerWaalsContact O-N 3.16Å
888F91.2Very high89.4Confident14 Ų1435.9 Ų35.96%0.06118%0.184CC..Hα-helixtrans-60.5-51.3176.5175.6-92.8000111.7Y851 H862 L864 L884 M885 A886 M890 T892 Q893Y851-F888 HydrophobicContact CD1-CD1 4.06Å; Y851-F888 AromaticContact CD1-CE1 3.49Å; Y851-F888 HydrophobicContact CD1-CE1 3.49Å; Y851-F888 VanDerWaalsContact CD1-CE1 3.49Å; Y851-F888 HydrophobicContact CD1-CZ 4.34Å; Y851-F888 HydrophobicContact CE1-CE1 4.07Å; Y851-F888 HydrophobicContact CG-CE1 4.31Å; H862-F888 HydrophobicContact CB-CE1 4.38Å; H862-F888 HydrophobicContact CB-CE2 3.8Å; H862-F888 HydrophobicContact CB-CZ 3.6Å; H862-F888 AromaticContact CD2-CZ 3.93Å; H862-F888 AromaticContact CG-CZ 3.5Å; H862-F888 VanDerWaalsContact CG-CZ 3.5Å; H862-F888 AromaticContact ND1-CZ 3.82Å; L864-F888 HydrophobicContact CD2-CB 3.63Å; L864-F888 HydrophobicContact CD2-CD1 4.47Å; L864-F888 HydrophobicContact CD2-CD2 4.25Å; L864-F888 HydrophobicContact CD2-CG 3.86Å; L884-F888 WeakPolarHBondContact O-CB 3.43Å; L884-F888 PolarHBondContact O-N 3.07Å; M885-F888 PolarHBondContact O-N 2.96Å; A886-F888 PolarHBondContact O-N 3.43Å; F888-M890 PolarHBondContact O-N 2.86Å; F888-T892 HydrophobicContact CD2-CG2 3.85Å; F888-T892 HydrophobicContact CE2-CG2 4.18Å; F888-T892 PolarHBondContact O-N 3.48Å; F888-Q893 HydrophobicContact CE1-CB 4.32Å; F888-Q893 HydrophobicContact CZ-CB 4.21Å; F888-Q893 WeakPolarHBondContact O-CG 3.07Å; F888-Q893 PolarHBondContact O-N 3.46Å
889R89.9Confident89.8Confident32 Ų3236.7 Ų36.712%0.12120%0.197CC..Hα-helixtrans-65.6-37.8-177.7-68.5-65.8-69.1171-16113L824 F828 Y851 E853 M885 A886 Q893L824-R889 HydrophobicContact CD2-CB 4.15Å; F828-R889 HydrophobicContact CE1-CG 3.9Å; F828-R889 HydrophobicContact CZ-CG 4.18Å; Y851-R889 PolarHBondContact OH-NH1 3.41Å; E853-R889 IonicContact OE1-NH1 2.77Å; E853-R889 PolarHBondContact OE1-NH1 3.1Å; M885-R889 WeakPolarHBondContact O-CG 3.18Å; M885-R889 PolarHBondContact O-N 3.22Å; A886-R889 PolarHBondContact O-N 3.2Å; R889-Q893 VanDerWaalsContact O-CD 3.24Å; R889-Q893 WeakPolarHBondContact O-CG 3.42Å; R889-Q893 PolarHBondContact O-NE2 2.9Å
890M88.1Confident90.5Very high0 Ų034 Ų340%019%0.186CC..Hα-helixtrans-91.4-27.9-176.3-65.1-161.5-49.300114.2F801 Q805 S817 E820 L821 L824 A886 F888 I894F801-M890 HydrophobicContact CB-SD 4.02Å; F801-M890 HydrophobicContact CD2-CB 4.09Å; F801-M890 HydrophobicContact CD2-CG 4.35Å; F801-M890 HydrophobicContact CD2-SD 4.4Å; F801-M890 HydrophobicContact CE2-CB 4.46Å; F801-M890 HydrophobicContact CG-SD 4.19Å; Q805-M890 PolarHBondContact NE2-O 3.43Å; S817-M890 VanDerWaalsContact C-CE 3.42Å; S817-M890 WeakPolarHBondContact O-CE 3.37Å; E820-M890 HydrophobicContact CB-CE 3.94Å; E820-M890 HydrophobicContact CB-SD 3.99Å; L821-M890 HydrophobicContact CB-SD 4.36Å; L821-M890 HydrophobicContact CD1-CG 4.08Å; L821-M890 HydrophobicContact CD1-SD 4.19Å; L824-M890 HydrophobicContact CB-CG 4.46Å; L824-M890 HydrophobicContact CD2-CG 3.76Å; A886-M890 WeakPolarHBondContact O-CB 3.15Å; A886-M890 WeakPolarHBondContact O-CG 3.26Å; A886-M890 PolarHBondContact O-N 3.32Å; F888-M890 PolarHBondContact O-N 2.86Å; M890-I894 VanDerWaalsContact O-CD1 3.26Å; M890-I894 WeakPolarHBondContact O-CD1 3.14Å; M890-I894 WeakPolarHBondContact O-CG1 3.35Å
891H88.8Confident91.1Very high24 Ų2430.7 Ų30.711%0.11116%0.163CC..THydrogen-bonded Turntrans-123.3-58.6-173.2-177.866.8000112.9Q805 H810 H887 Q893 I894 K895Q805-H891 PolarHBondContact OE1-ND1 3.46Å; H810-H891 AromaticContact CD2-CE1 3.63Å; H810-H891 AromaticContact NE2-CE1 3.91Å; H887-H891 AromaticContact CE1-CD2 3.79Å; H887-H891 AromaticContact NE2-CD2 3.52Å; H887-H891 WeakPolarHBondContact O-CA 3.49Å; H887-H891 WeakPolarHBondContact O-CB 2.97Å; H887-H891 PolarHBondContact O-N 3.43Å; H891-Q893 PolarHBondContact O-N 3.4Å; H891-I894 CarbonylContact O-C 3.21Å; H891-I894 PolarHBondContact O-N 3.04Å; H891-K895 WeakPolarHBondContact O-CA 3.34Å; H891-K895 WeakPolarHBondContact O-CB 3.22Å; H891-K895 PolarHBondContact O-N 3.21Å
892T90.1Very high91.4Very high61 Ų6130.5 Ų30.537%0.37416%0.163SC..G310 helixtrans-57.3-46.5-169.7-54.10000112.6H887 F888 I894 K895H887-T892 PolarHBondContact CE1-OG1 3.39Å; H887-T892 PolarHBondContact ND1-OG1 2.96Å; H887-T892 PolarHBondContact O-N 3.34Å; H887-T892 VanDerWaalsContact O-N 3.16Å; F888-T892 HydrophobicContact CD2-CG2 3.85Å; F888-T892 HydrophobicContact CE2-CG2 4.18Å; F888-T892 PolarHBondContact O-N 3.48Å; T892-I894 VanDerWaalsContact C-N 3.28Å; T892-I894 PolarHBondContact O-N 3.14Å; T892-K895 WeakPolarHBondContact O-CB 3.46Å; T892-K895 PolarHBondContact O-N 3.4Å
893Q90.1Very high91.6Very high24 Ų2433.1 Ų33.111%0.11218%0.182CC..G310 helixtrans-69.3-22.1-175.870.9179.811.200114.2P765 F888 R889 H891P765-Q893 HydrophobicContact CB-CB 4.41Å; P765-Q893 HydrophobicContact CB-CG 4.26Å; P765-Q893 HydrophobicContact CG-CG 4.07Å; F888-Q893 HydrophobicContact CE1-CB 4.32Å; F888-Q893 HydrophobicContact CZ-CB 4.21Å; F888-Q893 WeakPolarHBondContact O-CG 3.07Å; F888-Q893 PolarHBondContact O-N 3.46Å; R889-Q893 VanDerWaalsContact O-CD 3.24Å; R889-Q893 WeakPolarHBondContact O-CG 3.42Å; R889-Q893 PolarHBondContact O-NE2 2.9Å; H891-Q893 PolarHBondContact O-N 3.4Å
894I92.8Very high92Very high1 Ų129.8 Ų29.81%0.00517%0.167CC..G310 helixtrans-111.58.4178.863.2170.7000113.3P763 P765 F801 M890 H891 T892 S896 Q897 T898P763-I894 HydrophobicContact CB-CB 4.34Å; P763-I894 HydrophobicContact CB-CG2 4.39Å; P763-I894 VanDerWaalsContact O-CG2 3.29Å; P763-I894 WeakPolarHBondContact O-CG2 3.4Å; P765-I894 HydrophobicContact CG-CG2 4Å; F801-I894 HydrophobicContact CE2-CD1 4.04Å; M890-I894 VanDerWaalsContact O-CD1 3.26Å; M890-I894 WeakPolarHBondContact O-CD1 3.14Å; M890-I894 WeakPolarHBondContact O-CG1 3.35Å; H891-I894 CarbonylContact O-C 3.21Å; H891-I894 PolarHBondContact O-N 3.04Å; T892-I894 VanDerWaalsContact C-N 3.28Å; T892-I894 PolarHBondContact O-N 3.14Å; I894-S896 VanDerWaalsContact C-N 3.31Å; I894-S896 PolarHBondContact O-N 3.03Å; I894-Q897 PolarHBondContact O-N 3.25Å; I894-Q897 PolarHBondContact O-OE1 3.15Å; I894-T898 WeakPolarHBondContact O-CB 3.4Å; I894-T898 PolarHBondContact O-N 3.47Å; I894-T898 PolarHBondContact O-OG1 3.29Å
895K92.9Very high92.3Very high127 Ų12727.3 Ų27.355%0.55215%0.154SC*.Hα-helixtrans-56.4-44.3-168.1-178.6178.1179.6178.80112.6H891 T892 A899H891-K895 WeakPolarHBondContact O-CA 3.34Å; H891-K895 WeakPolarHBondContact O-CB 3.22Å; H891-K895 PolarHBondContact O-N 3.21Å; T892-K895 WeakPolarHBondContact O-CB 3.46Å; T892-K895 PolarHBondContact O-N 3.4Å; K895-A899 WeakPolarHBondContact O-CB 3.43Å; K895-A899 PolarHBondContact O-N 2.94Å
896S94.6Very high92.4Very high50 Ų5031.8 Ų31.835%0.3517%0.17SC..Hα-helixtrans-68.5-43-176.668.50000112.2L774 I894 A899 A900L774-S896 WeakPolarHBondContact CD2-O 3.07Å; I894-S896 VanDerWaalsContact C-N 3.31Å; I894-S896 PolarHBondContact O-N 3.03Å; S896-A899 PolarHBondContact O-N 2.83Å; S896-A900 WeakPolarHBondContact O-CB 3.43Å; S896-A900 PolarHBondContact O-N 3.38Å
897Q95.3Very high92.5Very high4 Ų432.6 Ų32.62%0.01918%0.176CC..Hα-helixtrans-64.1-51178.8-61.884.8-22.300110.8P763 S764 S767 Y773 F777 I894 A899 A900 L901P763-Q897 HydrophobicContact CB-CB 3.84Å; S764-Q897 PolarHBondContact O-NE2 3.48Å; S767-Q897 WeakPolarHBondContact OG-CG 3.23Å; S767-Q897 PolarHBondContact OG-NE2 3.05Å; S767-Q897 VanDerWaalsContact OG-NE2 3.1Å; Y773-Q897 HydrophobicContact CD2-CG 4.05Å; Y773-Q897 HydrophobicContact CE2-CG 3.96Å; F777-Q897 HydrophobicContact CD1-CB 4.42Å; F777-Q897 HydrophobicContact CD2-CB 3.78Å; F777-Q897 HydrophobicContact CD2-CG 3.88Å; F777-Q897 HydrophobicContact CE1-CB 4.2Å; F777-Q897 HydrophobicContact CE2-CB 3.56Å; F777-Q897 HydrophobicContact CE2-CG 3.34Å; F777-Q897 HydrophobicContact CG-CB 4.22Å; F777-Q897 HydrophobicContact CZ-CB 3.76Å; F777-Q897 HydrophobicContact CZ-CG 3.79Å; I894-Q897 PolarHBondContact O-N 3.25Å; I894-Q897 PolarHBondContact O-OE1 3.15Å; Q897-A899 PolarHBondContact O-N 3.34Å; Q897-A900 PolarHBondContact O-N 2.92Å; Q897-L901 PolarHBondContact O-N 3.24Å
898T94.5Very high92.7Very high4 Ų428.9 Ų28.93%0.02516%0.159CC..Hα-helixtrans-62.5-42.3179-61.60000111.3F802 Q805 I894 A900 L901 I902F802-T898 HydrophobicContact CD2-CG2 4.48Å; F802-T898 HydrophobicContact CE2-CG2 4.11Å; Q805-T898 HydrophobicContact CB-CG2 4.02Å; I894-T898 WeakPolarHBondContact O-CB 3.4Å; I894-T898 PolarHBondContact O-N 3.47Å; I894-T898 PolarHBondContact O-OG1 3.29Å; T898-A900 PolarHBondContact O-N 3.45Å; T898-L901 PolarHBondContact O-N 2.96Å; T898-I902 HydrophobicContact CG2-CD1 3.56Å; T898-I902 HydrophobicContact CG2-CG1 4.23Å; T898-I902 VanDerWaalsContact O-CB 3.31Å; T898-I902 WeakPolarHBondContact O-CB 3.35Å; T898-I902 WeakPolarHBondContact O-CG1 3.32Å; T898-I902 PolarHBondContact O-N 3.46Å
899A94.8Very high92.9Very high55 Ų5528.2 Ų28.246%0.45516%0.156SC..Hα-helixtrans-62.5-42.4176.900000112.4K895 S896 Q897 I902 S903K895-A899 WeakPolarHBondContact O-CB 3.43Å; K895-A899 PolarHBondContact O-N 2.94Å; S896-A899 PolarHBondContact O-N 2.83Å; Q897-A899 PolarHBondContact O-N 3.34Å; A899-I902 PolarHBondContact O-N 3.09Å; A899-S903 WeakPolarHBondContact O-CB 3.48Å; A899-S903 PolarHBondContact O-N 2.59Å
900A95.6Very high92.9Very high17 Ų1730.9 Ų30.914%0.1417%0.169CC..Hα-helixtrans-64-46.3177.200000111.9L774 F777 E778 S896 Q897 T898 I902 S903 G904L774-A900 HydrophobicContact CB-CB 4.4Å; L774-A900 HydrophobicContact CD2-CB 4.36Å; L774-A900 VanDerWaalsContact O-CB 3.31Å; L774-A900 WeakPolarHBondContact O-CB 3.44Å; F777-A900 HydrophobicContact CB-CB 3.97Å; E778-A900 VanDerWaalsContact CA-O 3.3Å; E778-A900 WeakPolarHBondContact CA-O 3.4Å; S896-A900 WeakPolarHBondContact O-CB 3.43Å; S896-A900 PolarHBondContact O-N 3.38Å; Q897-A900 PolarHBondContact O-N 2.92Å; T898-A900 PolarHBondContact O-N 3.45Å; A900-I902 PolarHBondContact O-N 2.95Å; A900-S903 WeakPolarHBondContact O-CB 3.39Å; A900-S903 PolarHBondContact O-N 3.16Å; A900-G904 PolarHBondContact O-N 3.16Å
901L95.3Very high93Very high0 Ų032.4 Ų32.40%018%0.179CC..Hα-helixtrans-61.9-44.8176.3-174.9148.4000112.2F752 F777 V780 G781 F802 L806 Q897 T898 S903 G904 F905F752-L901 HydrophobicContact CE1-CD1 4.17Å; F752-L901 HydrophobicContact CZ-CD1 3.71Å; F777-L901 HydrophobicContact CB-CB 4.22Å; F777-L901 HydrophobicContact CD1-CB 4.37Å; F777-L901 HydrophobicContact CD1-CD1 4.12Å; F777-L901 WeakPolarHBondContact O-CA 3.16Å; V780-L901 HydrophobicContact CG1-CD1 4.24Å; G781-L901 WeakPolarHBondContact CA-O 3.43Å; F802-L901 HydrophobicContact CZ-CD1 4.01Å; F802-L901 HydrophobicContact CZ-CD2 3.94Å; L806-L901 HydrophobicContact CD1-CD2 3.97Å; Q897-L901 PolarHBondContact O-N 3.24Å; T898-L901 PolarHBondContact O-N 2.96Å; L901-S903 VanDerWaalsContact C-N 3.3Å; L901-S903 PolarHBondContact O-N 2.89Å; L901-G904 PolarHBondContact O-N 2.89Å; L901-F905 WeakPolarHBondContact O-CB 3.38Å; L901-F905 PolarHBondContact O-N 2.99Å
902I94.1Very high92.9Very high13 Ų1336.7 Ų36.77%0.06720%0.199CC..Hα-helixtrans-60.8-41.6176.2-72.7171.1000110.7Q805 L806 T898 A899 A900 G904 F905 R906Q805-I902 WeakPolarHBondContact O-CD1 3.47Å; L806-I902 HydrophobicContact CD1-CG1 3.78Å; T898-I902 HydrophobicContact CG2-CD1 3.56Å; T898-I902 HydrophobicContact CG2-CG1 4.23Å; T898-I902 VanDerWaalsContact O-CB 3.31Å; T898-I902 WeakPolarHBondContact O-CB 3.35Å; T898-I902 WeakPolarHBondContact O-CG1 3.32Å; T898-I902 PolarHBondContact O-N 3.46Å; A899-I902 PolarHBondContact O-N 3.09Å; A900-I902 PolarHBondContact O-N 2.95Å; I902-G904 PolarHBondContact O-N 3.49Å; I902-F905 PolarHBondContact O-N 2.98Å; I902-R906 HydrophobicContact CG2-CG 4.1Å; I902-R906 VanDerWaalsContact CG2-NE 3.26Å; I902-R906 VanDerWaalsContact O-CB 3.26Å; I902-R906 WeakPolarHBondContact O-CB 3.32Å; I902-R906 VanDerWaalsContact O-CG 3.24Å; I902-R906 WeakPolarHBondContact O-CG 3.39Å; I902-R906 PolarHBondContact O-N 3.06Å
903S93.9Very high92.9Very high66 Ų6634.9 Ų34.946%0.46219%0.185SC..Hα-helixtrans-58-48.4176-176.80000111.2A899 A900 L901 R906 S907A899-S903 WeakPolarHBondContact O-CB 3.48Å; A899-S903 PolarHBondContact O-N 2.59Å; A900-S903 WeakPolarHBondContact O-CB 3.39Å; A900-S903 PolarHBondContact O-N 3.16Å; L901-S903 VanDerWaalsContact C-N 3.3Å; L901-S903 PolarHBondContact O-N 2.89Å; S903-R906 PolarHBondContact O-N 3.38Å; S903-S907 PolarHBondContact O-N 3.17Å; S903-S907 VanDerWaalsContact O-N 3.07Å
904G93.3Very high93Very high0 Ų033.8 Ų33.80%018%0.18CC..Hα-helixtrans-60-49.117600000113.1E778 G781 K782 A900 L901 I902 R906 S907E778-G904 VanDerWaalsContact O-CA 3.32Å; E778-G904 WeakPolarHBondContact O-CA 3.37Å; G781-G904 VanDerWaalsContact C-C 3.46Å; K782-G904 WeakPolarHBondContact CG-O 3.33Å; A900-G904 PolarHBondContact O-N 3.16Å; L901-G904 PolarHBondContact O-N 2.89Å; I902-G904 PolarHBondContact O-N 3.49Å; G904-R906 PolarHBondContact O-N 2.83Å; G904-S907 WeakPolarHBondContact O-CB 3.27Å; G904-S907 PolarHBondContact O-N 2.74Å; G904-S907 PolarHBondContact O-OG 3.38Å
905F93.9Very high92.7Very high0 Ų039.9 Ų39.90%020%0.203CC..Hα-helixtrans-61.2-44.7179.6-174.4-91.7000112.1G781 L784 V788 L806 L901 I902 S907 I908 I909 I914G781-F905 VanDerWaalsContact C-N 3.31Å; G781-F905 WeakPolarHBondContact O-CA 3.25Å; G781-F905 PolarHBondContact O-N 3.38Å; L784-F905 HydrophobicContact CB-CD2 4.29Å; L784-F905 HydrophobicContact CD2-CD2 4.29Å; L784-F905 HydrophobicContact CD2-CE2 4.44Å; L784-F905 HydrophobicContact CG-CD2 4.18Å; L784-F905 HydrophobicContact CG-CE2 4.17Å; V788-F905 HydrophobicContact CG2-CE2 4.24Å; L806-F905 HydrophobicContact CD1-CB 4.14Å; L806-F905 HydrophobicContact CD1-CD1 3.96Å; L806-F905 HydrophobicContact CD1-CG 3.98Å; L901-F905 WeakPolarHBondContact O-CB 3.38Å; L901-F905 PolarHBondContact O-N 2.99Å; I902-F905 PolarHBondContact O-N 2.98Å; F905-S907 VanDerWaalsContact C-N 3.27Å; F905-S907 PolarHBondContact O-N 3.31Å; F905-I908 PolarHBondContact O-N 3.49Å; F905-I909 HydrophobicContact CD1-CB 4.24Å; F905-I909 HydrophobicContact CE1-CB 3.77Å; F905-I909 HydrophobicContact CE1-CG1 4.1Å; F905-I909 HydrophobicContact CE1-CG2 3.94Å; F905-I909 HydrophobicContact CE2-CG1 4.36Å; F905-I909 HydrophobicContact CZ-CB 4.13Å; F905-I909 HydrophobicContact CZ-CG1 3.94Å; F905-I909 HydrophobicContact CZ-CG2 4.31Å; F905-I909 PolarHBondContact O-N 2.95Å; F905-I914 HydrophobicContact CE1-CD1 4.08Å; F905-I914 HydrophobicContact CE1-CG2 4.13Å; F905-I914 HydrophobicContact CZ-CG2 4.48Å
906R92.6Very high92.6Very high97 Ų9734 Ų3437%0.36618%0.177SC..Hα-helixtrans-70.2-20.3179.9-71.5-179.6-179.9172.86.5114I902 S903 G904 I908 I909 P911I902-R906 HydrophobicContact CG2-CG 4.1Å; I902-R906 VanDerWaalsContact CG2-NE 3.26Å; I902-R906 VanDerWaalsContact O-CB 3.26Å; I902-R906 WeakPolarHBondContact O-CB 3.32Å; I902-R906 VanDerWaalsContact O-CG 3.24Å; I902-R906 WeakPolarHBondContact O-CG 3.39Å; I902-R906 PolarHBondContact O-N 3.06Å; S903-R906 PolarHBondContact O-N 3.38Å; G904-R906 PolarHBondContact O-N 2.83Å; R906-I908 PolarHBondContact O-N 2.85Å; R906-I909 VanDerWaalsContact CA-O 3.3Å; R906-I909 WeakPolarHBondContact CA-O 3.4Å; R906-P911 HydrophobicContact CG-CG 4.11Å
907S92.4Very high92.4Very high17 Ų1731.8 Ų31.812%0.11916%0.162CC..Hα-helixtrans-65.7-22.8173.1790000112.6K782 S903 G904 F905K782-S907 WeakPolarHBondContact CG-OG 3.36Å; S903-S907 PolarHBondContact O-N 3.17Å; S903-S907 VanDerWaalsContact O-N 3.07Å; G904-S907 WeakPolarHBondContact O-CB 3.27Å; G904-S907 PolarHBondContact O-N 2.74Å; G904-S907 PolarHBondContact O-OG 3.38Å; F905-S907 VanDerWaalsContact C-N 3.27Å; F905-S907 PolarHBondContact O-N 3.31Å
908I93.2Very high92.1Very high1 Ų132.4 Ų32.41%0.00517%0.166CC..Hα-helixtrans-105.1-51.1177.5-51.6-56.4000110.9M708 K709 Y789 F905 R906M708-I908 HydrophobicContact CB-CD1 3.88Å; M708-I908 HydrophobicContact CG-CD1 3.45Å; M708-I908 VanDerWaalsContact CG-CD1 3.45Å; M708-I908 HydrophobicContact CG-CG1 4.45Å; K709-I908 WeakPolarHBondContact CE-O 3.44Å; K709-I908 HydrophobicContact CG-CD1 4.35Å; K709-I908 HydrophobicContact CG-CG2 4.32Å; K709-I908 PolarHBondContact NZ-O 3.3Å; Y789-I908 HydrophobicContact CD2-CG2 4.21Å; Y789-I908 HydrophobicContact CG-CG2 3.98Å; F905-I908 PolarHBondContact O-N 3.49Å; R906-I908 PolarHBondContact O-N 2.85Å
909I93.7Very high91.8Very high0 Ų032.6 Ų32.60%017%0.168CC..SBendtrans-99.8124.3-175.5-58.1-60.4000110.7F659 G785 V788 Y789 F905 R906 W913 I914F659-I909 HydrophobicContact CE2-CG2 4.41Å; F659-I909 HydrophobicContact CZ-CD1 4.23Å; G785-I909 WeakPolarHBondContact O-CD1 3.18Å; V788-I909 HydrophobicContact CB-CD1 4.34Å; V788-I909 HydrophobicContact CB-CG1 4.47Å; V788-I909 HydrophobicContact CG1-CD1 4.1Å; V788-I909 HydrophobicContact CG1-CG1 4.38Å; Y789-I909 HydrophobicContact CD2-CD1 4.01Å; Y789-I909 HydrophobicContact CG-CD1 4.43Å; F905-I909 HydrophobicContact CD1-CB 4.24Å; F905-I909 HydrophobicContact CE1-CB 3.77Å; F905-I909 HydrophobicContact CE1-CG1 4.1Å; F905-I909 HydrophobicContact CE1-CG2 3.94Å; F905-I909 HydrophobicContact CE2-CG1 4.36Å; F905-I909 HydrophobicContact CZ-CB 4.13Å; F905-I909 HydrophobicContact CZ-CG1 3.94Å; F905-I909 HydrophobicContact CZ-CG2 4.31Å; F905-I909 PolarHBondContact O-N 2.95Å; R906-I909 VanDerWaalsContact CA-O 3.3Å; R906-I909 WeakPolarHBondContact CA-O 3.4Å; I909-W913 HydrophobicContact CG2-CE3 4.5Å; I909-I914 HydrophobicContact CG2-CG2 3.46Å; I909-I914 VanDerWaalsContact CG2-CG2 3.46Å
910K91.3Very high91.5Very high87 Ų8732.8 Ų32.838%0.37817%0.165SC..  trans-67133.9177-71.6-178.7172.7147.90111.6E666 E912 W913E666-K910 WeakPolarHBondContact OE1-CE 3.2Å; E666-K910 IonicContact OE1-NZ 3.61Å; E666-K910 PolarHBondContact OE1-NZ 3.16Å; K910-E912 WeakPolarHBondContact CB-OE2 3.31Å; K910-E912 PolarHBondContact O-N 3.14Å; K910-W913 HydrophobicContact CB-CD2 3.77Å; K910-W913 HydrophobicContact CB-CE3 4.11Å; K910-W913 HydrophobicContact CB-CG 4.03Å; K910-W913 HydrophobicContact CB-CZ2 4.46Å; K910-W913 HydrophobicContact CD-CD2 4.48Å; K910-W913 HydrophobicContact CD-CH2 4.2Å; K910-W913 HydrophobicContact CD-CZ2 3.69Å; K910-W913 HydrophobicContact CG-CD2 4.45Å; K910-W913 HydrophobicContact CG-CH2 4.47Å; K910-W913 HydrophobicContact CG-CZ2 4.31Å; K910-W913 WeakPolarHBondContact O-CB 3.32Å; K910-W913 PolarHBondContact O-N 3.23Å; K910-W913 VanDerWaalsContact O-N 3.09Å
911P89.1Confident91.3Very high33 Ų3332.7 Ų32.721%0.21416%0.161CC..Hα-helixtrans-56.5-33.7-179.5-26.234.7000114.1R906 W913 I914 R915R906-P911 HydrophobicContact CG-CG 4.11Å; P911-W913 PolarHBondContact O-N 3.26Å; P911-I914 WeakPolarHBondContact O-CG1 3.28Å; P911-I914 PolarHBondContact O-N 3.19Å; P911-R915 VanDerWaalsContact O-CG 3.31Å; P911-R915 WeakPolarHBondContact O-CG 3.49Å; P911-R915 PolarHBondContact O-N 3.21Å
912E87.9Confident91.1Very high114 Ų11432.7 Ų32.753%0.53316%0.161SC..Hα-helixtrans-64.3-29.3-178.9-58.873.4-156.600112K910K910-E912 WeakPolarHBondContact CB-OE2 3.31Å; K910-E912 PolarHBondContact O-N 3.14Å
913W90.7Very high91Very high22 Ų2232.7 Ų32.78%0.08316%0.161CC..Hα-helixtrans-75.9-37.4-178.4-61.6-10.2000112.3F659 M662 V663 E666 Y789 I909 K910 P911 M916F659-W913 HydrophobicContact CD2-CB 3.89Å; F659-W913 HydrophobicContact CE2-CB 4.01Å; F659-W913 HydrophobicContact CE2-CE3 4.09Å; M662-W913 HydrophobicContact CB-CD2 4.36Å; M662-W913 HydrophobicContact CB-CZ2 4.07Å; M662-W913 HydrophobicContact SD-CG 4.14Å; V663-W913 HydrophobicContact CG2-CE3 4.1Å; V663-W913 HydrophobicContact CG2-CH2 4.36Å; V663-W913 HydrophobicContact CG2-CZ3 3.71Å; E666-W913 HydrophobicContact CB-CH2 3.9Å; E666-W913 HydrophobicContact CB-CZ2 4.38Å; E666-W913 HydrophobicContact CG-CH2 4.34Å; Y789-W913 HydrophobicContact CE2-CZ3 4.32Å; I909-W913 HydrophobicContact CG2-CE3 4.5Å; K910-W913 HydrophobicContact CB-CD2 3.77Å; K910-W913 HydrophobicContact CB-CE3 4.11Å; K910-W913 HydrophobicContact CB-CG 4.03Å; K910-W913 HydrophobicContact CB-CZ2 4.46Å; K910-W913 HydrophobicContact CD-CD2 4.48Å; K910-W913 HydrophobicContact CD-CH2 4.2Å; K910-W913 HydrophobicContact CD-CZ2 3.69Å; K910-W913 HydrophobicContact CG-CD2 4.45Å; K910-W913 HydrophobicContact CG-CH2 4.47Å; K910-W913 HydrophobicContact CG-CZ2 4.31Å; K910-W913 WeakPolarHBondContact O-CB 3.32Å; K910-W913 PolarHBondContact O-N 3.23Å; K910-W913 VanDerWaalsContact O-N 3.09Å; P911-W913 PolarHBondContact O-N 3.26Å; W913-M916 WeakPolarHBondContact O-CE 3.42Å
914I90.4Very high90.8Very high1 Ų132.9 Ų32.91%0.00515%0.152CC..Hα-helixtrans-81.6-25.8-17857.9171.2000112.9L807 F905 I909 P911 M916 F917L807-I914 HydrophobicContact CD2-CB 4.01Å; L807-I914 HydrophobicContact CD2-CD1 4.38Å; L807-I914 HydrophobicContact CD2-CG1 4.29Å; L807-I914 VanDerWaalsContact CD2-O 3.29Å; L807-I914 WeakPolarHBondContact CD2-O 3.46Å; F905-I914 HydrophobicContact CE1-CD1 4.08Å; F905-I914 HydrophobicContact CE1-CG2 4.13Å; F905-I914 HydrophobicContact CZ-CG2 4.48Å; I909-I914 HydrophobicContact CG2-CG2 3.46Å; I909-I914 VanDerWaalsContact CG2-CG2 3.46Å; P911-I914 WeakPolarHBondContact O-CG1 3.28Å; P911-I914 PolarHBondContact O-N 3.19Å; I914-M916 PolarHBondContact O-N 3.18Å; I914-F917 PolarHBondContact O-N 3.49Å
915R86.9Confident90.6Very high129 Ų12933.1 Ų33.149%0.48715%0.153SC..THydrogen-bonded Turntrans-58.6-17.1175.9-79.6174.6-179.3-179.91.3113.9P911 F917P911-R915 VanDerWaalsContact O-CG 3.31Å; P911-R915 WeakPolarHBondContact O-CG 3.49Å; P911-R915 PolarHBondContact O-N 3.21Å; R915-F917 PolarHBondContact O-N 3.23Å
916M90.5Very high90.4Very high4 Ų433.1 Ų33.12%0.0215%0.153CC..THydrogen-bonded Turntrans-69.1-17.9174.5-64-172.2-70.100112.9L643 P647 R655 F659 M662 W913 I914L643-M916 HydrophobicContact CD1-SD 4.07Å; L643-M916 HydrophobicContact CD2-CG 4.38Å; L643-M916 HydrophobicContact CD2-SD 3.78Å; L643-M916 HydrophobicContact CG-SD 4.36Å; P647-M916 HydrophobicContact CB-CB 4.24Å; P647-M916 WeakPolarHBondContact CB-O 3.46Å; R655-M916 WeakPolarHBondContact CD-O 3.45Å; R655-M916 PolarHBondContact NH1-O 3.15Å; F659-M916 HydrophobicContact CB-CE 4.27Å; M662-M916 HydrophobicContact CE-CE 4.2Å; M662-M916 HydrophobicContact CE-SD 4.3Å; M662-M916 HydrophobicContact SD-CE 4.21Å; W913-M916 WeakPolarHBondContact O-CE 3.42Å; I914-M916 PolarHBondContact O-N 3.18Å
917F91.3Very high90.1Very high4 Ų428.5 Ų28.52%0.01814%0.136CC..SBendtrans-111.6142.6-172-56-76.5000112H652 R655 V656 F659 I914 R915 E921 L925H652-F917 AromaticContact NE2-CD1 3.98Å; R655-F917 HydrophobicContact CB-CE1 3.88Å; R655-F917 HydrophobicContact CB-CZ 4.3Å; V656-F917 HydrophobicContact CG2-CE1 3.85Å; V656-F917 HydrophobicContact CG2-CZ 4.33Å; F659-F917 HydrophobicContact CB-CE2 4.16Å; F659-F917 HydrophobicContact CB-CZ 3.94Å; F659-F917 HydrophobicContact CD2-CE2 4.28Å; F659-F917 HydrophobicContact CG-CE2 4.32Å; F659-F917 HydrophobicContact CG-CZ 4.44Å; I914-F917 PolarHBondContact O-N 3.49Å; R915-F917 PolarHBondContact O-N 3.23Å; F917-E921 WeakPolarHBondContact CA-OE2 3.35Å; F917-E921 HydrophobicContact CB-CB 3.89Å; F917-E921 HydrophobicContact CD1-CB 4.19Å; F917-L925 HydrophobicContact CD2-CD2 4.2Å; F917-L925 HydrophobicContact CE2-CD2 3.95Å; F917-L925 HydrophobicContact CZ-CD2 4.38Å
918S89.1Confident89.6Confident16 Ų1627.7 Ų27.711%0.11213%0.13CC..  trans-75.2168.4166.868.40000111.7E921 L922S918-E921 PolarHBondContact N-OE2 3.25Å; S918-E921 WeakPolarHBondContact O-CB 3.33Å; S918-E921 PolarHBondContact O-N 2.83Å; S918-E921 VanDerWaalsContact OG-CG 3.28Å; S918-E921 WeakPolarHBondContact OG-CG 3.49Å; S918-E921 PolarHBondContact OG-OE2 2.67Å; S918-L922 PolarHBondContact O-N 3.1Å
919A88.9Confident88.9Confident9 Ų929.7 Ų29.77%0.07414%0.141CC..Hα-helixtrans-56.1-46.9179.200000113.4L803 L807 E921 L922 Q923L803-A919 HydrophobicContact CB-CB 3.89Å; L803-A919 WeakPolarHBondContact CD1-O 3.5Å; L807-A919 HydrophobicContact CD1-CB 4.31Å; A919-E921 VanDerWaalsContact C-N 3.27Å; A919-E921 PolarHBondContact O-N 3.18Å; A919-L922 PolarHBondContact O-N 3.19Å; A919-Q923 PolarHBondContact O-N 3.18Å
920P88.4Confident88Confident58 Ų5835 Ų3538%0.37717%0.169SC..Hα-helixtrans-62.3-30.9173.7-23.834.1000114R924P920-R924 PolarHBondContact O-N 3.32Å
921E90.5Very high87.3Confident15 Ų1533.5 Ų33.57%0.0717%0.173CC..Hα-helixtrans-74.7-39.2177.3-70.4176.215500112.5H652 R655 F917 S918 A919 Q923 R924 L925H652-E921 IonicContact CD2-OE1 2.66Å; H652-E921 IonicContact CG-OE1 3.99Å; R655-E921 IonicContact CZ-OE1 2.68Å; R655-E921 IonicContact CZ-OE2 2.7Å; R655-E921 IonicContact NH1-OE1 3Å; R655-E921 IonicContact NH1-OE2 2.64Å; R655-E921 PolarHBondContact NH1-OE2 2.94Å; R655-E921 VanDerWaalsContact NH2-CD 3.27Å; R655-E921 IonicContact NH2-OE1 3.04Å; R655-E921 PolarHBondContact NH2-OE1 3.15Å; R655-E921 IonicContact NH2-OE2 3.61Å; R655-E921 PolarHBondContact NH2-OE2 3.47Å; R655-E921 VanDerWaalsContact NH2-OE2 3.14Å; F917-E921 WeakPolarHBondContact CA-OE2 3.35Å; F917-E921 HydrophobicContact CB-CB 3.89Å; F917-E921 HydrophobicContact CD1-CB 4.19Å; S918-E921 PolarHBondContact N-OE2 3.25Å; S918-E921 WeakPolarHBondContact O-CB 3.33Å; S918-E921 PolarHBondContact O-N 2.83Å; S918-E921 VanDerWaalsContact OG-CG 3.28Å; S918-E921 WeakPolarHBondContact OG-CG 3.49Å; S918-E921 PolarHBondContact OG-OE2 2.67Å; A919-E921 VanDerWaalsContact C-N 3.27Å; A919-E921 PolarHBondContact O-N 3.18Å; E921-Q923 VanDerWaalsContact C-N 3.31Å; E921-Q923 PolarHBondContact O-N 2.8Å; E921-R924 WeakPolarHBondContact O-CB 3.48Å; E921-R924 PolarHBondContact O-N 3.45Å; E921-R924 VanDerWaalsContact O-N 3.17Å; E921-L925 PolarHBondContact O-N 2.83Å
922L91.4Very high86.8Confident0 Ų038.5 Ų38.50%019%0.193CC..Hα-helixtrans-63-40.2172.7-179.361.2000111L803 L806 L807 S918 A919 R924 L925 I926L803-L922 HydrophobicContact CD2-CD2 4.2Å; L803-L922 HydrophobicContact CD2-CG 4.43Å; L806-L922 HydrophobicContact CD2-CD2 3.96Å; L806-L922 HydrophobicContact CG-CD2 4.29Å; L807-L922 HydrophobicContact CD1-CB 4.48Å; L807-L922 HydrophobicContact CD1-CD2 4.31Å; L807-L922 HydrophobicContact CD2-CB 4.5Å; L807-L922 HydrophobicContact CD2-CD2 3.76Å; L807-L922 HydrophobicContact CG-CD2 3.74Å; S918-L922 PolarHBondContact O-N 3.1Å; A919-L922 PolarHBondContact O-N 3.19Å; L922-R924 VanDerWaalsContact C-N 3.27Å; L922-R924 PolarHBondContact O-N 3.05Å; L922-L925 HydrophobicContact CD1-CD2 4.2Å; L922-L925 WeakPolarHBondContact O-CB 3.42Å; L922-L925 PolarHBondContact O-N 2.79Å; L922-L925 VanDerWaalsContact O-N 3.11Å; L922-I926 HydrophobicContact CD1-CD1 4.21Å; L922-I926 HydrophobicContact CD1-CG1 4.37Å; L922-I926 HydrophobicContact CG-CD1 4Å; L922-I926 WeakPolarHBondContact O-CG1 3.33Å; L922-I926 PolarHBondContact O-N 3.13Å
923Q91.2Very high86.7Confident14 Ų1434 Ų347%0.06517%0.173CC..Hα-helixtrans-56.1-44.5172.4-177.762.765.700111.5V796 L803 A919 E921 L925 I926 S927V796-Q923 PolarHBondContact O-NE2 3.35Å; L803-Q923 HydrophobicContact CD1-CB 3.7Å; L803-Q923 HydrophobicContact CD1-CG 4.44Å; A919-Q923 PolarHBondContact O-N 3.18Å; E921-Q923 VanDerWaalsContact C-N 3.31Å; E921-Q923 PolarHBondContact O-N 2.8Å; Q923-L925 VanDerWaalsContact C-N 3.35Å; Q923-I926 PolarHBondContact O-N 3.2Å; Q923-S927 PolarHBondContact NE2-OG 3.27Å; Q923-S927 PolarHBondContact O-N 2.93Å
924R89.5Confident86.5Confident69 Ų6937.3 Ų37.326%0.2619%0.192SC..Hα-helixtrans-65.4-36.7176-78.5-168.9-67176-5112.6P920 E921 L922 I926 G928 L986P920-R924 PolarHBondContact O-N 3.32Å; E921-R924 WeakPolarHBondContact O-CB 3.48Å; E921-R924 PolarHBondContact O-N 3.45Å; E921-R924 VanDerWaalsContact O-N 3.17Å; L922-R924 VanDerWaalsContact C-N 3.27Å; L922-R924 PolarHBondContact O-N 3.05Å; R924-I926 VanDerWaalsContact C-N 3.28Å; R924-I926 PolarHBondContact O-N 3.29Å; R924-G928 WeakPolarHBondContact CA-O 3.36Å; R924-G928 CarbonylContact O-C 3.55Å; R924-G928 VanDerWaalsContact O-CA 3.3Å; R924-G928 WeakPolarHBondContact O-CA 3.45Å; R924-G928 PolarHBondContact O-N 2.72Å; R924-L986 HydrophobicContact CB-CD1 4.31Å; R924-L986 HydrophobicContact CB-CD2 3.94Å; R924-L986 WeakPolarHBondContact O-CD1 3.33Å
925L89.9Confident86.5Confident5 Ų538.3 Ų38.33%0.02620%0.197CC..Hα-helixtrans-64.9-35176.2-174.365.4000112V656 F659 V788 F917 E921 L922 Q923 L986V656-L925 HydrophobicContact CG1-CD1 4.34Å; F659-L925 HydrophobicContact CD1-CD1 4.28Å; F659-L925 HydrophobicContact CE1-CD1 4.45Å; F659-L925 HydrophobicContact CE1-CD2 4.42Å; V788-L925 HydrophobicContact CG1-CD2 4.09Å; V788-L925 HydrophobicContact CG1-CG 4.31Å; F917-L925 HydrophobicContact CD2-CD2 4.2Å; F917-L925 HydrophobicContact CE2-CD2 3.95Å; F917-L925 HydrophobicContact CZ-CD2 4.38Å; E921-L925 PolarHBondContact O-N 2.83Å; L922-L925 HydrophobicContact CD1-CD2 4.2Å; L922-L925 WeakPolarHBondContact O-CB 3.42Å; L922-L925 PolarHBondContact O-N 2.79Å; L922-L925 VanDerWaalsContact O-N 3.11Å; Q923-L925 VanDerWaalsContact C-N 3.35Å; L925-L986 HydrophobicContact CB-CD1 4.44Å; L925-L986 HydrophobicContact CD1-CD1 4.3Å
926I89.4Confident86.7Confident1 Ų138.4 Ų38.41%0.00520%0.203CC..Hα-helixtrans-78.5-47.3178.2-66.8168000111.2L784 V788 V793 V794 F798 L803 L922 Q923 R924L784-I926 HydrophobicContact CD1-CG2 3.85Å; L784-I926 HydrophobicContact CD2-CD1 4.49Å; V788-I926 HydrophobicContact CG2-CG1 3.86Å; V793-I926 CarbonylContact C-O 3.47Å; V793-I926 WeakPolarHBondContact CA-O 3.22Å; V794-I926 HydrophobicContact CG2-CG2 3.51Å; V794-I926 PolarHBondContact N-O 3.12Å; F798-I926 HydrophobicContact CD2-CD1 4.32Å; F798-I926 HydrophobicContact CE2-CD1 4.2Å; F798-I926 HydrophobicContact CE2-CG2 4.23Å; L803-I926 HydrophobicContact CD2-CD1 4.29Å; L922-I926 HydrophobicContact CD1-CD1 4.21Å; L922-I926 HydrophobicContact CD1-CG1 4.37Å; L922-I926 HydrophobicContact CG-CD1 4Å; L922-I926 WeakPolarHBondContact O-CG1 3.33Å; L922-I926 PolarHBondContact O-N 3.13Å; Q923-I926 PolarHBondContact O-N 3.2Å; R924-I926 VanDerWaalsContact C-N 3.28Å; R924-I926 PolarHBondContact O-N 3.29Å
927S85.8Confident86.7Confident0 Ų040 Ų400%021%0.211CC..Hα-helixtrans-107.6-1.1-167.5-56.90000116.1V794 V796 Q923 R983V794-S927 WeakPolarHBondContact O-CA 3.39Å; V794-S927 VanDerWaalsContact O-CB 3.25Å; V794-S927 WeakPolarHBondContact O-CB 3.25Å; V794-S927 PolarHBondContact O-OG 3.38Å; V796-S927 PolarHBondContact O-OG 2.89Å; Q923-S927 PolarHBondContact NE2-OG 3.27Å; Q923-S927 PolarHBondContact O-N 2.93Å; S927-R983 WeakPolarHBondContact O-CB 3.41Å; S927-R983 WeakPolarHBondContact O-CD 3.02Å
928G82.5Confident86.6Confident0 Ų039.8 Ų39.80%021%0.211CC..  trans87.8177.4-173.900000113.1R924 P984R924-G928 WeakPolarHBondContact CA-O 3.36Å; R924-G928 CarbonylContact O-C 3.55Å; R924-G928 VanDerWaalsContact O-CA 3.3Å; R924-G928 WeakPolarHBondContact O-CA 3.45Å; R924-G928 PolarHBondContact O-N 2.72Å; G928-P984 WeakPolarHBondContact CA-O 3.12Å
929D79.3Confident86.7Confident42 Ų4242.8 Ų42.823%0.22522%0.222CC..  trans-81150.2-175-148.2-10.6000112.3A931 R983 P984 L986D929-A931 VanDerWaalsContact C-N 3.25Å; D929-A931 HydrophobicContact CB-CB 4.46Å; D929-R983 VanDerWaalsContact O-CB 3.25Å; D929-R983 WeakPolarHBondContact O-CB 3.45Å; D929-R983 WeakPolarHBondContact O-CG 3.27Å; D929-P984 HydrophobicContact CB-CG 4.32Å; D929-P984 PolarHBondContact N-O 2.69Å; D929-P984 WeakPolarHBondContact O-CD 3.36Å; D929-L986 HydrophobicContact CB-CD2 3.7Å
930N73.7Confident86.8Confident113 Ų11350.2 Ų50.260%0.60425%0.253SS*.  trans-88.33.6175.3-65.8-9.3000112.2R983N930-R983 WeakPolarHBondContact OD1-CD 3.33Å; N930-R983 VanDerWaalsContact OD1-CZ 3.26Å; N930-R983 PolarHBondContact OD1-NE 3.36Å; N930-R983 PolarHBondContact OD1-NH1 3.17Å
931A75.9Confident87Confident54 Ų5450.2 Ų50.245%0.44625%0.247SC..SBendtrans-69.4152.1177.500000111.4D929D929-A931 VanDerWaalsContact C-N 3.25Å; D929-A931 HydrophobicContact CB-CB 4.46Å
932E79.4Confident87Confident139 Ų13950 Ų5065%0.6525%0.247SC*.  trans-56.9147.1170-68.9-171.6-176.200110.7D934E932-D934 PolarHBondContact O-N 2.9Å; E932-D934 VanDerWaalsContact O-N 3.14Å
933I85.2Confident87Confident20 Ų2052.5 Ų52.510%0.10326%0.262CS..  trans-67.6114.8-179.8-64.6162.1000109L935 L938 R971 L975 F989I933-L935 HydrophobicContact CG2-CD2 4.1Å; I933-L935 PolarHBondContact O-N 2.95Å; I933-L938 HydrophobicContact CG2-CD2 4.31Å; I933-R971 VanDerWaalsContact CD1-C 3.44Å; I933-R971 HydrophobicContact CD1-CB 4.04Å; I933-R971 WeakPolarHBondContact CD1-O 3.26Å; I933-L975 HydrophobicContact CD1-CB 3.66Å; I933-L975 HydrophobicContact CD1-CD2 3.78Å; I933-L975 HydrophobicContact CD1-CG 4.33Å; I933-L975 HydrophobicContact CG1-CD2 4Å; I933-F989 HydrophobicContact CG2-CE2 4.03Å; I933-F989 HydrophobicContact CG2-CZ 3.95Å
934D88.2Confident86.9Confident91 Ų9154.1 Ų54.149%0.48727%0.268SS..  trans-70.298.3169.1-173.3-19000109.3E932 E936 D937 L938E932-D934 PolarHBondContact O-N 2.9Å; E932-D934 VanDerWaalsContact O-N 3.14Å; D934-E936 VanDerWaalsContact C-N 3.26Å; D934-E936 PolarHBondContact O-N 3.22Å; D934-E936 PolarHBondContact OD1-N 3.33Å; D934-D937 HydrophobicContact CB-CB 3.91Å; D934-D937 PolarHBondContact O-N 2.92Å; D934-D937 PolarHBondContact OD1-N 3.4Å; D934-L938 WeakPolarHBondContact O-CB 3.35Å; D934-L938 PolarHBondContact O-N 3.18Å
935L89.8Confident86.6Confident21 Ų2156.4 Ų56.411%0.1128%0.277CS..Hα-helixtrans-65.6-29.2-179.5-66.5176.7000112.3I933 K939 W959 L962 A963I933-L935 HydrophobicContact CG2-CD2 4.1Å; I933-L935 PolarHBondContact O-N 2.95Å; L935-K939 WeakPolarHBondContact O-CB 3.25Å; L935-K939 PolarHBondContact O-N 3.28Å; L935-W959 HydrophobicContact CD2-CZ3 4.49Å; L935-L962 HydrophobicContact CD1-CB 4.12Å; L935-L962 HydrophobicContact CD2-CB 4.18Å; L935-A963 HydrophobicContact CD1-CB 4.1Å
936E90Very high86Confident131 Ų13158.5 Ų58.561%0.61230%0.3SS*.Hα-helixtrans-73.5-41.3177.9-68.8-58.6137.200110.7D934 K939 K940D934-E936 VanDerWaalsContact C-N 3.26Å; D934-E936 PolarHBondContact O-N 3.22Å; D934-E936 PolarHBondContact OD1-N 3.33Å; E936-K939 PolarHBondContact O-N 2.87Å; E936-K940 VanDerWaalsContact O-CB 3.26Å; E936-K940 WeakPolarHBondContact O-CB 3.46Å; E936-K940 PolarHBondContact O-N 3.41Å
937D90.6Very high85.4Confident37 Ų3761.4 Ų61.420%0.19833%0.331CS..Hα-helixtrans-63.7-42.7172.8-172.251.3000112D934 K940 H941 G988 F989D934-D937 HydrophobicContact CB-CB 3.91Å; D934-D937 PolarHBondContact O-N 2.92Å; D934-D937 PolarHBondContact OD1-N 3.4Å; D937-K940 PolarHBondContact O-N 3.4Å; D937-H941 PolarHBondContact O-N 2.97Å; D937-H941 PolarHBondContact O-ND1 2.8Å; D937-H941 IonicContact OD1-CE1 2.64Å; D937-H941 PolarHBondContact OD1-CE1 3.49Å; D937-H941 IonicContact OD1-ND1 2.61Å; D937-H941 PolarHBondContact OD1-ND1 3.47Å; D937-G988 VanDerWaalsContact OD2-CA 3.3Å; D937-G988 WeakPolarHBondContact OD2-CA 3.4Å; D937-F989 HydrophobicContact CB-CD2 4.36Å; D937-F989 PolarHBondContact OD2-N 3.03Å
938L90.3Very high85.4Confident0 Ų062 Ų620%033%0.333CS..Hα-helixtrans-61.4-48176.3-178.760.2000111.2I933 D934 K940 H941 T942 W959 F974 F989 F996I933-L938 HydrophobicContact CG2-CD2 4.31Å; D934-L938 WeakPolarHBondContact O-CB 3.35Å; D934-L938 PolarHBondContact O-N 3.18Å; L938-K940 PolarHBondContact O-N 3.28Å; L938-H941 CarbonylContact O-C 3.55Å; L938-H941 PolarHBondContact O-N 3.25Å; L938-T942 PolarHBondContact O-N 2.91Å; L938-T942 VanDerWaalsContact O-N 3.09Å; L938-T942 PolarHBondContact O-OG1 2.9Å; L938-W959 HydrophobicContact CB-CH2 4.42Å; L938-W959 HydrophobicContact CB-CZ3 4.46Å; L938-W959 HydrophobicContact CD2-CH2 3.98Å; L938-W959 HydrophobicContact CD2-CZ3 3.95Å; L938-W959 HydrophobicContact CG-CH2 3.8Å; L938-W959 HydrophobicContact CG-CZ3 4.11Å; L938-F974 HydrophobicContact CD2-CE1 4.44Å; L938-F989 VanDerWaalsContact CA-CD2 3.49Å; L938-F989 HydrophobicContact CB-CD2 3.59Å; L938-F989 HydrophobicContact CB-CE2 3.66Å; L938-F989 HydrophobicContact CB-CG 4.1Å; L938-F989 HydrophobicContact CB-CZ 4.24Å; L938-F989 HydrophobicContact CD1-CB 4.31Å; L938-F989 HydrophobicContact CD1-CD1 3.46Å; L938-F989 VanDerWaalsContact CD1-CD1 3.46Å; L938-F989 HydrophobicContact CD1-CD2 3.97Å; L938-F989 HydrophobicContact CD1-CE1 3.63Å; L938-F989 HydrophobicContact CD1-CE2 4.1Å; L938-F989 HydrophobicContact CD1-CG 3.63Å; L938-F989 HydrophobicContact CD1-CZ 3.93Å; L938-F989 HydrophobicContact CD2-CZ 4.46Å; L938-F989 HydrophobicContact CG-CD2 4.34Å; L938-F989 HydrophobicContact CG-CE2 4.31Å; L938-F989 HydrophobicContact CG-CG 4.46Å; L938-F989 HydrophobicContact CG-CZ 4.42Å; L938-F996 HydrophobicContact CD1-CB 3.96Å; L938-F996 HydrophobicContact CD1-CD1 4.11Å; L938-F996 HydrophobicContact CD1-CD2 3.8Å; L938-F996 HydrophobicContact CD1-CE2 4.28Å; L938-F996 HydrophobicContact CD1-CG 3.7Å
939K91Very high85.6Confident80 Ų8066.3 Ų66.335%0.34835%0.353SS..Hα-helixtrans-62.1-41.9178.9178.3178.4177.5-171.10112.2L935 E936 H941 T942 W959L935-K939 WeakPolarHBondContact O-CB 3.25Å; L935-K939 PolarHBondContact O-N 3.28Å; E936-K939 PolarHBondContact O-N 2.87Å; K939-H941 VanDerWaalsContact C-N 3.27Å; K939-H941 PolarHBondContact O-N 2.81Å; K939-T942 PolarHBondContact O-N 3.31Å; K939-W959 HydrophobicContact CB-CD2 4Å; K939-W959 HydrophobicContact CB-CE3 4.11Å; K939-W959 HydrophobicContact CB-CH2 4.05Å; K939-W959 HydrophobicContact CB-CZ2 3.87Å; K939-W959 HydrophobicContact CB-CZ3 4.14Å; K939-W959 HydrophobicContact CD-CD2 4.02Å; K939-W959 HydrophobicContact CD-CG 3.9Å; K939-W959 HydrophobicContact CG-CD2 4Å; K939-W959 HydrophobicContact CG-CG 4.28Å; K939-W959 HydrophobicContact CG-CZ2 4.14Å
940K91.2Very high85.9Confident165 Ų16566.1 Ų66.172%0.71736%0.362SS*.Hα-helixtrans-61.3-35.1178.8-179.2179175.2-176.10112.7E936 D937 L938E936-K940 VanDerWaalsContact O-CB 3.26Å; E936-K940 WeakPolarHBondContact O-CB 3.46Å; E936-K940 PolarHBondContact O-N 3.41Å; D937-K940 PolarHBondContact O-N 3.4Å; L938-K940 PolarHBondContact O-N 3.28Å
941H91.6Very high86.5Confident57 Ų5764.9 Ų64.926%0.26436%0.362SS..THydrogen-bonded Turntrans-103.712.3-177.2-58.4102.5000113.6D937 L938 K939 F989D937-H941 PolarHBondContact O-N 2.97Å; D937-H941 PolarHBondContact O-ND1 2.8Å; D937-H941 IonicContact OD1-CE1 2.64Å; D937-H941 PolarHBondContact OD1-CE1 3.49Å; D937-H941 IonicContact OD1-ND1 2.61Å; D937-H941 PolarHBondContact OD1-ND1 3.47Å; L938-H941 CarbonylContact O-C 3.55Å; L938-H941 PolarHBondContact O-N 3.25Å; K939-H941 VanDerWaalsContact C-N 3.27Å; K939-H941 PolarHBondContact O-N 2.81Å; H941-F989 HydrophobicContact CB-CB 4.22Å
942T91.7Very high87.1Confident12 Ų1263.4 Ų63.47%0.07435%0.346CS..  trans-80.1129.8175.2-670000111.2L938 K939 Y944 W959 F996 I998L938-T942 PolarHBondContact O-N 2.91Å; L938-T942 VanDerWaalsContact O-N 3.09Å; L938-T942 PolarHBondContact O-OG1 2.9Å; K939-T942 PolarHBondContact O-N 3.31Å; T942-Y944 HydrophobicContact CG2-CD1 4.25Å; T942-Y944 HydrophobicContact CG2-CE1 3.75Å; T942-Y944 HydrophobicContact CG2-CE2 4.06Å; T942-W959 HydrophobicContact CG2-CZ2 4.37Å; T942-F996 CarbonylContact C-O 3.59Å; T942-F996 WeakPolarHBondContact CA-O 3.42Å; T942-F996 HydrophobicContact CG2-CD1 3.84Å; T942-F996 HydrophobicContact CG2-CE1 4.25Å; T942-F996 WeakPolarHBondContact OG1-CD1 3.1Å; T942-I998 HydrophobicContact CG2-CD1 3.84Å; T942-I998 HydrophobicContact CG2-CG1 3.75Å
943V90.6Very high87.5Confident52 Ų5260.4 Ų60.432%0.31533%0.328SS..EExtended strand (participates in β ladder)trans-96.6134.6174.2-172.90000110Y945 P995 F996 S997 I998V943-Y945 HydrophobicContact CB-CE2 4.09Å; V943-Y945 HydrophobicContact CG1-CD2 4.37Å; V943-Y945 HydrophobicContact CG1-CE1 4.26Å; V943-Y945 HydrophobicContact CG1-CE2 3.6Å; V943-P995 HydrophobicContact CG2-CB 4.16Å; V943-P995 HydrophobicContact CG2-CG 4.26Å; V943-F996 PolarHBondContact N-O 3.3Å; V943-S997 CarbonylContact O-C 3.6Å; V943-S997 WeakPolarHBondContact O-CA 3.39Å; V943-I998 PolarHBondContact O-N 2.98Å
944Y88.6Confident87.7Confident48 Ų4859.4 Ų59.419%0.18832%0.323CS..EExtended strand (participates in β ladder)trans-109.5140.3-178.1-56.7-86.3000111.7T942 F948 I955 W959 I998T942-Y944 HydrophobicContact CG2-CD1 4.25Å; T942-Y944 HydrophobicContact CG2-CE1 3.75Å; T942-Y944 HydrophobicContact CG2-CE2 4.06Å; Y944-F948 WeakPolarHBondContact CB-O 3.24Å; Y944-F948 HydrophobicContact CD1-CB 4.29Å; Y944-I955 HydrophobicContact CD1-CD1 4.04Å; Y944-I955 HydrophobicContact CD1-CG1 4.15Å; Y944-I955 HydrophobicContact CD1-CG2 4.44Å; Y944-I955 HydrophobicContact CE1-CB 4.35Å; Y944-I955 HydrophobicContact CE1-CD1 3.84Å; Y944-I955 HydrophobicContact CE1-CG1 3.93Å; Y944-I955 HydrophobicContact CE1-CG2 3.47Å; Y944-I955 VanDerWaalsContact CE1-CG2 3.47Å; Y944-W959 PolarHBondContact OH-NE1 3.39Å; Y944-W959 VanDerWaalsContact OH-NE1 3.14Å; Y944-I998 CarbonylContact C-O 3.44Å; Y944-I998 WeakPolarHBondContact CA-O 3.35Å; Y944-I998 HydrophobicContact CD1-CB 4.11Å; Y944-I998 HydrophobicContact CE1-CB 4.43Å; Y944-I998 HydrophobicContact CE1-CD1 4Å
945Y84.2Confident87.9Confident116 Ų11655.1 Ų55.146%0.45530%0.3SS..EExtended strand (participates in β ladder)trans-133.8162.7179.9-61.4-80.5000111.6V943 I998 R999 C1000V943-Y945 HydrophobicContact CB-CE2 4.09Å; V943-Y945 HydrophobicContact CG1-CD2 4.37Å; V943-Y945 HydrophobicContact CG1-CE1 4.26Å; V943-Y945 HydrophobicContact CG1-CE2 3.6Å; Y945-I998 PolarHBondContact N-O 3.46Å; Y945-R999 WeakPolarHBondContact O-CA 3.48Å; Y945-C1000 PolarHBondContact O-N 3.37Å; Y945-C1000 VanDerWaalsContact O-N 3.16Å
946G78Confident88Confident49 Ų4958.4 Ų58.451%0.50532%0.317SS..THydrogen-bonded Turntrans68.433.517400000114.3F948 C1000G946-F948 PolarHBondContact O-N 3.2Å; G946-C1000 WeakPolarHBondContact O-CB 3.48Å
947G75.4Confident88.1Confident63 Ų6355.1 Ų55.165%0.64930%0.299SS*.THydrogen-bonded Turntrans88-7.7178.400000115.3
948F86.4Confident88.3Confident11 Ų1153.3 Ų53.35%0.04829%0.29CS..  trans-73.8147.2167.1-73.9-16.3000111.9Y944 G946 H952 V954 I955 I998 C1000 L1044Y944-F948 WeakPolarHBondContact CB-O 3.24Å; Y944-F948 HydrophobicContact CD1-CB 4.29Å; G946-F948 PolarHBondContact O-N 3.2Å; F948-H952 HydrophobicContact CD1-CB 4.47Å; F948-H952 AromaticContact CD1-CE1 3.68Å; F948-H952 AromaticContact CD1-CG 3.75Å; F948-H952 AromaticContact CD1-ND1 3.52Å; F948-H952 AromaticContact CD1-NE2 3.97Å; F948-H952 AromaticContact CE1-CE1 3.34Å; F948-H952 WeakPolarHBondContact CE1-CE1 3.49Å; F948-H952 AromaticContact CE1-ND1 3.51Å; F948-H952 AromaticContact CE1-NE2 3.91Å; F948-V954 HydrophobicContact CZ-CB 4.46Å; F948-V954 HydrophobicContact CZ-CG1 4.34Å; F948-I955 HydrophobicContact CB-CD1 4.26Å; F948-I955 HydrophobicContact CB-CG1 4.12Å; F948-I955 HydrophobicContact CD2-CD1 3.73Å; F948-I955 HydrophobicContact CD2-CG1 4.31Å; F948-I955 HydrophobicContact CE2-CD1 4.23Å; F948-I955 HydrophobicContact CG-CD1 4.04Å; F948-I955 HydrophobicContact CG-CG1 4.1Å; F948-I998 HydrophobicContact CD2-CG2 4.04Å; F948-I998 HydrophobicContact CE2-CG2 4.46Å; F948-C1000 HydrophobicContact CD1-CB 3.87Å; F948-C1000 HydrophobicContact CD2-CB 3.74Å; F948-C1000 HydrophobicContact CE1-CB 3.77Å; F948-C1000 VanDerWaalsContact CE1-SG 3.54Å; F948-C1000 VanDerWaalsContact CE2-CA 3.47Å; F948-C1000 HydrophobicContact CE2-CB 3.64Å; F948-C1000 HydrophobicContact CG-CB 3.87Å; F948-C1000 HydrophobicContact CZ-CB 3.66Å; F948-C1000 WeakPolarHBondContact CZ-SG 3.33Å; F948-L1044 HydrophobicContact CE2-CB 4.04Å; F948-L1044 HydrophobicContact CE2-CD2 4.27Å; F948-L1044 HydrophobicContact CE2-CG 4.39Å; F948-L1044 WeakPolarHBondContact CE2-O 3.47Å
949H87.3Confident88.5Confident91 Ų9154 Ų5442%0.42129%0.292SS..  trans-150.5167.5173.356.287.6000108.8S951 H952H949-S951 PolarHBondContact CE1-OG 3.17Å; H949-S951 PolarHBondContact ND1-N 3.04Å; H949-S951 PolarHBondContact ND1-OG 2.81Å; H949-S951 PolarHBondContact O-N 3.26Å; H949-H952 VanDerWaalsContact O-CB 3.25Å; H949-H952 WeakPolarHBondContact O-CB 3.13Å; H949-H952 PolarHBondContact O-N 3.36Å
950G85.1Confident88.5Confident39 Ų3953 Ų5340%0.40229%0.29SS..THydrogen-bonded Turntrans-58.9-22.5-171.600000116.1
951S86.2Confident88.6Confident87 Ų8745.1 Ų45.161%0.60826%0.256SS*.THydrogen-bonded Turntrans-97.83.2176.6490000114.5H949 I956H949-S951 PolarHBondContact CE1-OG 3.17Å; H949-S951 PolarHBondContact ND1-N 3.04Å; H949-S951 PolarHBondContact ND1-OG 2.81Å; H949-S951 PolarHBondContact O-N 3.26Å; S951-I956 WeakPolarHBondContact O-CD1 3.32Å
952H88.2Confident88.7Confident23 Ų2342.4 Ų42.411%0.10624%0.244CC..SBendtrans-67.8138.9177.9-173.5-87.4000111.2F948 H949 V954 I955 I956F948-H952 HydrophobicContact CD1-CB 4.47Å; F948-H952 AromaticContact CD1-CE1 3.68Å; F948-H952 AromaticContact CD1-CG 3.75Å; F948-H952 AromaticContact CD1-ND1 3.52Å; F948-H952 AromaticContact CD1-NE2 3.97Å; F948-H952 AromaticContact CE1-CE1 3.34Å; F948-H952 WeakPolarHBondContact CE1-CE1 3.49Å; F948-H952 AromaticContact CE1-ND1 3.51Å; F948-H952 AromaticContact CE1-NE2 3.91Å; H949-H952 VanDerWaalsContact O-CB 3.25Å; H949-H952 WeakPolarHBondContact O-CB 3.13Å; H949-H952 PolarHBondContact O-N 3.36Å; H952-V954 VanDerWaalsContact C-N 3.31Å; H952-V954 PolarHBondContact ND1-N 2.92Å; H952-V954 PolarHBondContact O-N 3.35Å; H952-V954 VanDerWaalsContact O-N 3.17Å; H952-I955 HydrophobicContact CB-CB 4.35Å; H952-I955 HydrophobicContact CB-CG1 4.08Å; H952-I955 WeakPolarHBondContact O-CB 3.35Å; H952-I955 PolarHBondContact O-N 3.03Å; H952-I956 PolarHBondContact O-N 3.16Å
953R89.2Confident88.7Confident75 Ų7543.8 Ų43.828%0.28326%0.257SS..Hα-helixtrans-51.7-45.5-172.681.8179.493.1162.85.4113.5I955 I956 W957 T1009 D1011R953-I955 VanDerWaalsContact C-N 3.34Å; R953-I955 PolarHBondContact O-N 3.36Å; R953-I956 PolarHBondContact O-N 3.17Å; R953-W957 HydrophobicContact CG-CH2 4.23Å; R953-W957 HydrophobicContact CG-CZ2 4.37Å; R953-W957 HydrophobicContact CG-CZ3 4.41Å; R953-W957 PolarHBondContact O-N 2.76Å; R953-T1009 PolarHBondContact NH2-O 3.32Å; R953-T1009 VanDerWaalsContact NH2-O 3.1Å; R953-D1011 IonicContact CZ-OD2 3.9Å; R953-D1011 IonicContact NE-OD2 2.83Å; R953-D1011 IonicContact NH2-OD2 3.82Å; R953-D1011 PolarHBondContact NH2-OD2 3.5Å
954V87.6Confident88.7Confident0 Ų047.2 Ų47.20%027%0.273CS..Hα-helixtrans-70.1-32.4-177.5177.30000111.6F948 H952 W957 L958 L1044 N1046 L1053F948-V954 HydrophobicContact CZ-CB 4.46Å; F948-V954 HydrophobicContact CZ-CG1 4.34Å; H952-V954 VanDerWaalsContact C-N 3.31Å; H952-V954 PolarHBondContact ND1-N 2.92Å; H952-V954 PolarHBondContact O-N 3.35Å; H952-V954 VanDerWaalsContact O-N 3.17Å; V954-W957 HydrophobicContact CG2-CE3 4.26Å; V954-W957 HydrophobicContact CG2-CZ3 4.33Å; V954-W957 PolarHBondContact O-N 2.9Å; V954-L958 WeakPolarHBondContact O-CB 3.35Å; V954-L958 PolarHBondContact O-N 3.41Å; V954-L1044 HydrophobicContact CG1-CD2 3.77Å; V954-L1044 HydrophobicContact CG1-CG 4.36Å; V954-N1046 WeakPolarHBondContact CG2-OD1 3.45Å; V954-L1053 HydrophobicContact CG1-CD2 4.17Å
955I92.3Very high88.8Confident0 Ų047.2 Ų47.20%028%0.276CS..Hα-helixtrans-71.5-42.3176.5-63.3-53.3000110.3Y944 F948 H952 R953 W957 L958 W959 I998 L1044Y944-I955 HydrophobicContact CD1-CD1 4.04Å; Y944-I955 HydrophobicContact CD1-CG1 4.15Å; Y944-I955 HydrophobicContact CD1-CG2 4.44Å; Y944-I955 HydrophobicContact CE1-CB 4.35Å; Y944-I955 HydrophobicContact CE1-CD1 3.84Å; Y944-I955 HydrophobicContact CE1-CG1 3.93Å; Y944-I955 HydrophobicContact CE1-CG2 3.47Å; Y944-I955 VanDerWaalsContact CE1-CG2 3.47Å; F948-I955 HydrophobicContact CB-CD1 4.26Å; F948-I955 HydrophobicContact CB-CG1 4.12Å; F948-I955 HydrophobicContact CD2-CD1 3.73Å; F948-I955 HydrophobicContact CD2-CG1 4.31Å; F948-I955 HydrophobicContact CE2-CD1 4.23Å; F948-I955 HydrophobicContact CG-CD1 4.04Å; F948-I955 HydrophobicContact CG-CG1 4.1Å; H952-I955 HydrophobicContact CB-CB 4.35Å; H952-I955 HydrophobicContact CB-CG1 4.08Å; H952-I955 WeakPolarHBondContact O-CB 3.35Å; H952-I955 PolarHBondContact O-N 3.03Å; R953-I955 VanDerWaalsContact C-N 3.34Å; R953-I955 PolarHBondContact O-N 3.36Å; I955-W957 VanDerWaalsContact C-N 3.32Å; I955-W957 PolarHBondContact O-N 3.47Å; I955-L958 WeakPolarHBondContact O-CB 3.43Å; I955-L958 PolarHBondContact O-N 3.1Å; I955-W959 PolarHBondContact O-N 2.9Å; I955-W959 VanDerWaalsContact O-N 3.1Å; I955-I998 HydrophobicContact CD1-CD1 4.26Å; I955-I998 HydrophobicContact CD1-CG2 3.96Å; I955-L1044 HydrophobicContact CD1-CD2 4.45Å
956I91.9Very high89.2Confident90 Ų9042 Ų4246%0.46226%0.256SS..Hα-helixtrans-59.6-45.7173.4-63.8170.6000110.1S951 H952 R953 L958 W959 D960S951-I956 WeakPolarHBondContact O-CD1 3.32Å; H952-I956 PolarHBondContact O-N 3.16Å; R953-I956 PolarHBondContact O-N 3.17Å; I956-L958 PolarHBondContact O-N 3.43Å; I956-W959 PolarHBondContact O-N 2.98Å; I956-D960 VanDerWaalsContact O-CB 3.27Å; I956-D960 WeakPolarHBondContact O-CB 3.43Å; I956-D960 PolarHBondContact O-N 3.4Å
957W93.6Very high89.8Confident62 Ų6241.7 Ų41.724%0.23525%0.246CC..Hα-helixtrans-61.3-41.4176-66.1-13.7000113R953 V954 I955 D960 I961 Y1047 S1048 K1050 L1053R953-W957 HydrophobicContact CG-CH2 4.23Å; R953-W957 HydrophobicContact CG-CZ2 4.37Å; R953-W957 HydrophobicContact CG-CZ3 4.41Å; R953-W957 PolarHBondContact O-N 2.76Å; V954-W957 HydrophobicContact CG2-CE3 4.26Å; V954-W957 HydrophobicContact CG2-CZ3 4.33Å; V954-W957 PolarHBondContact O-N 2.9Å; I955-W957 VanDerWaalsContact C-N 3.32Å; I955-W957 PolarHBondContact O-N 3.47Å; W957-D960 PolarHBondContact O-N 3.25Å; W957-I961 WeakPolarHBondContact O-CB 3.31Å; W957-I961 VanDerWaalsContact O-CD1 3.32Å; W957-I961 WeakPolarHBondContact O-CD1 3.43Å; W957-I961 WeakPolarHBondContact O-CG1 3.48Å; W957-I961 PolarHBondContact O-N 2.87Å; W957-Y1047 WeakPolarHBondContact CZ3-O 3.21Å; W957-S1048 WeakPolarHBondContact CH2-O 3.5Å; W957-K1050 HydrophobicContact CB-CB 4.48Å; W957-K1050 HydrophobicContact CB-CG 4.06Å; W957-K1050 HydrophobicContact CD2-CB 3.82Å; W957-K1050 HydrophobicContact CD2-CG 4.35Å; W957-K1050 HydrophobicContact CE3-CB 4.14Å; W957-K1050 HydrophobicContact CG-CB 3.97Å; W957-K1050 HydrophobicContact CG-CD 4.36Å; W957-K1050 HydrophobicContact CG-CG 3.96Å; W957-L1053 HydrophobicContact CB-CD2 3.8Å
958L93.4Very high90.3Very high0 Ų041.4 Ų41.40%023%0.233CC..Hα-helixtrans-57.6-53176.9174.667.3000111.1V954 I955 I956 D960 I961 L962 F974 I998 L1042 L1044 L1053 L1057V954-L958 WeakPolarHBondContact O-CB 3.35Å; V954-L958 PolarHBondContact O-N 3.41Å; I955-L958 WeakPolarHBondContact O-CB 3.43Å; I955-L958 PolarHBondContact O-N 3.1Å; I956-L958 PolarHBondContact O-N 3.43Å; L958-D960 VanDerWaalsContact C-N 3.33Å; L958-D960 PolarHBondContact O-N 3.45Å; L958-I961 PolarHBondContact O-N 3.28Å; L958-L962 HydrophobicContact CD1-CD1 4.18Å; L958-L962 HydrophobicContact CD1-CG 4.39Å; L958-L962 HydrophobicContact CG-CD1 4.15Å; L958-L962 WeakPolarHBondContact O-CG 3.36Å; L958-L962 PolarHBondContact O-N 3Å; L958-F974 HydrophobicContact CD1-CE2 4.38Å; L958-I998 HydrophobicContact CD2-CD1 3.61Å; L958-L1042 HydrophobicContact CD2-CD2 4.04Å; L958-L1044 HydrophobicContact CD2-CD2 4.21Å; L958-L1053 HydrophobicContact CB-CD2 4.23Å; L958-L1057 HydrophobicContact CD1-CD2 3.48Å; L958-L1057 VanDerWaalsContact CD1-CD2 3.48Å
959W94.3Very high90.3Very high15 Ų1546.8 Ų46.86%0.05726%0.258CS..Hα-helixtrans-64.3-38.5-179.3-67.1117.8000112.3L935 L938 K939 T942 Y944 I955 I956 L962 A963 I998L935-W959 HydrophobicContact CD2-CZ3 4.49Å; L938-W959 HydrophobicContact CB-CH2 4.42Å; L938-W959 HydrophobicContact CB-CZ3 4.46Å; L938-W959 HydrophobicContact CD2-CH2 3.98Å; L938-W959 HydrophobicContact CD2-CZ3 3.95Å; L938-W959 HydrophobicContact CG-CH2 3.8Å; L938-W959 HydrophobicContact CG-CZ3 4.11Å; K939-W959 HydrophobicContact CB-CD2 4Å; K939-W959 HydrophobicContact CB-CE3 4.11Å; K939-W959 HydrophobicContact CB-CH2 4.05Å; K939-W959 HydrophobicContact CB-CZ2 3.87Å; K939-W959 HydrophobicContact CB-CZ3 4.14Å; K939-W959 HydrophobicContact CD-CD2 4.02Å; K939-W959 HydrophobicContact CD-CG 3.9Å; K939-W959 HydrophobicContact CG-CD2 4Å; K939-W959 HydrophobicContact CG-CG 4.28Å; K939-W959 HydrophobicContact CG-CZ2 4.14Å; T942-W959 HydrophobicContact CG2-CZ2 4.37Å; Y944-W959 PolarHBondContact OH-NE1 3.39Å; Y944-W959 VanDerWaalsContact OH-NE1 3.14Å; I955-W959 PolarHBondContact O-N 2.9Å; I955-W959 VanDerWaalsContact O-N 3.1Å; I956-W959 PolarHBondContact O-N 2.98Å; W959-L962 HydrophobicContact CE3-CD1 3.93Å; W959-L962 HydrophobicContact CZ3-CD1 3.94Å; W959-L962 PolarHBondContact O-N 3.07Å; W959-A963 VanDerWaalsContact O-CB 3.31Å; W959-A963 WeakPolarHBondContact O-CB 3.34Å; W959-A963 PolarHBondContact O-N 3.42Å; W959-I998 HydrophobicContact CZ2-CD1 4.39Å
960D92.4Very high90.4Very high57 Ų5744.1 Ų44.131%0.30525%0.246SC..Hα-helixtrans-64.4-40.7175.6-17533000112.2I956 W957 L958 A963 N964 K1050I956-D960 VanDerWaalsContact O-CB 3.27Å; I956-D960 WeakPolarHBondContact O-CB 3.43Å; I956-D960 PolarHBondContact O-N 3.4Å; W957-D960 PolarHBondContact O-N 3.25Å; L958-D960 VanDerWaalsContact C-N 3.33Å; L958-D960 PolarHBondContact O-N 3.45Å; D960-A963 PolarHBondContact O-N 3.42Å; D960-N964 WeakPolarHBondContact O-CB 3.35Å; D960-N964 PolarHBondContact O-N 3.44Å; D960-N964 PolarHBondContact OD1-ND2 2.73Å; D960-K1050 VanDerWaalsContact OD2-CE 3.27Å; D960-K1050 WeakPolarHBondContact OD2-CE 3.49Å; D960-K1050 IonicContact OD2-NZ 3.72Å; D960-K1050 PolarHBondContact OD2-NZ 3.39Å
961I93.4Very high90.7Very high0 Ų044.4 Ų44.40%024%0.235CC..Iπ-helixtrans-63.6-47.1173.8-71.7160.8000110.8W957 L958 A963 D965 F966 K1050 L1053 R1054W957-I961 WeakPolarHBondContact O-CB 3.31Å; W957-I961 VanDerWaalsContact O-CD1 3.32Å; W957-I961 WeakPolarHBondContact O-CD1 3.43Å; W957-I961 WeakPolarHBondContact O-CG1 3.48Å; W957-I961 PolarHBondContact O-N 2.87Å; L958-I961 PolarHBondContact O-N 3.28Å; I961-A963 VanDerWaalsContact C-N 3.3Å; I961-A963 PolarHBondContact O-N 2.99Å; I961-D965 HydrophobicContact CG2-CB 4.14Å; I961-D965 WeakPolarHBondContact O-CA 3.31Å; I961-D965 WeakPolarHBondContact O-CB 3.44Å; I961-D965 PolarHBondContact O-N 3Å; I961-F966 HydrophobicContact CG2-CD1 3.76Å; I961-F966 HydrophobicContact CG2-CE1 3.47Å; I961-F966 VanDerWaalsContact CG2-CE1 3.47Å; I961-F966 HydrophobicContact CG2-CZ 4Å; I961-F966 PolarHBondContact O-N 3.41Å; I961-F966 VanDerWaalsContact O-N 3.13Å; I961-K1050 HydrophobicContact CD1-CG 4.04Å; I961-K1050 HydrophobicContact CG1-CG 4.3Å; I961-L1053 HydrophobicContact CD1-CB 4.13Å; I961-L1053 HydrophobicContact CD1-CD2 3.73Å; I961-L1053 HydrophobicContact CD1-CG 3.68Å; I961-R1054 HydrophobicContact CD1-CB 3.77Å; I961-R1054 HydrophobicContact CG1-CB 4.12Å; I961-R1054 HydrophobicContact CG1-CG 4.42Å; I961-R1054 HydrophobicContact CG2-CB 4.29Å; I961-R1054 HydrophobicContact CG2-CG 3.97Å
962L92.6Very high90.7Very high0 Ų041.5 Ų41.50%022%0.216CC..Iπ-helixtrans-62.3-38.3179-68.7172.7000112L935 L958 W959 F966 R971 F974L935-L962 HydrophobicContact CD1-CB 4.12Å; L935-L962 HydrophobicContact CD2-CB 4.18Å; L958-L962 HydrophobicContact CD1-CD1 4.18Å; L958-L962 HydrophobicContact CD1-CG 4.39Å; L958-L962 HydrophobicContact CG-CD1 4.15Å; L958-L962 WeakPolarHBondContact O-CG 3.36Å; L958-L962 PolarHBondContact O-N 3Å; W959-L962 HydrophobicContact CE3-CD1 3.93Å; W959-L962 HydrophobicContact CZ3-CD1 3.94Å; W959-L962 PolarHBondContact O-N 3.07Å; L962-F966 HydrophobicContact CD2-CD2 3.64Å; L962-F966 HydrophobicContact CD2-CE2 3.93Å; L962-F966 HydrophobicContact CD2-CG 4.42Å; L962-R971 PolarHBondContact O-NE 2.64Å; L962-R971 PolarHBondContact O-NH2 3.21Å; L962-F974 HydrophobicContact CD1-CD1 4Å; L962-F974 HydrophobicContact CD1-CE1 3.61Å; L962-F974 HydrophobicContact CD1-CE2 4.45Å; L962-F974 HydrophobicContact CD1-CZ 3.85Å; L962-F974 HydrophobicContact CD2-CB 4.12Å; L962-F974 HydrophobicContact CD2-CD1 3.8Å; L962-F974 HydrophobicContact CD2-CD2 4.08Å; L962-F974 HydrophobicContact CD2-CE1 4.22Å; L962-F974 HydrophobicContact CD2-CE2 4.47Å; L962-F974 HydrophobicContact CD2-CG 3.71Å
963A91.9Very high90.6Very high42 Ų4244.1 Ų44.135%0.34723%0.229SC..Iπ-helixtrans-76.6-42.8-178.500000113.5L935 W959 D960 I961 R971L935-A963 HydrophobicContact CD1-CB 4.1Å; W959-A963 VanDerWaalsContact O-CB 3.31Å; W959-A963 WeakPolarHBondContact O-CB 3.34Å; W959-A963 PolarHBondContact O-N 3.42Å; D960-A963 PolarHBondContact O-N 3.42Å; I961-A963 VanDerWaalsContact C-N 3.3Å; I961-A963 PolarHBondContact O-N 2.99Å; A963-R971 PolarHBondContact O-NH2 3.15Å
964N91.1Very high90.7Very high124 Ų12440.7 Ų40.766%0.66322%0.216SC*.Iπ-helixtrans-110.6-27.5-168.4-65.6-47000114.4D960D960-N964 WeakPolarHBondContact O-CB 3.35Å; D960-N964 PolarHBondContact O-N 3.44Å; D960-N964 PolarHBondContact OD1-ND2 2.73Å
965D89.5Confident90.7Very high47 Ų4740.7 Ų40.725%0.25122%0.216SC..Iπ-helixtrans-101.5-21.7-175.3-70.6-74.2000113.4I961 K1050 R1054 R1058I961-D965 HydrophobicContact CG2-CB 4.14Å; I961-D965 WeakPolarHBondContact O-CA 3.31Å; I961-D965 WeakPolarHBondContact O-CB 3.44Å; I961-D965 PolarHBondContact O-N 3Å; D965-K1050 IonicContact OD2-NZ 3.58Å; D965-R1054 HydrophobicContact CB-CG 4.47Å; D965-R1054 IonicContact OD1-CZ 3.59Å; D965-R1054 IonicContact OD1-NH1 3.8Å; D965-R1054 PolarHBondContact OD1-NH1 3.1Å; D965-R1058 PolarHBondContact O-NH2 2.99Å
966F92.4Very high90.4Very high7 Ų744.6 Ų44.63%0.03123%0.233CC..  trans-104.5137.7-174-80.424.4000113.5I961 L962 E970 R971 R1054 L1057 R1058 I1061I961-F966 HydrophobicContact CG2-CD1 3.76Å; I961-F966 HydrophobicContact CG2-CE1 3.47Å; I961-F966 VanDerWaalsContact CG2-CE1 3.47Å; I961-F966 HydrophobicContact CG2-CZ 4Å; I961-F966 PolarHBondContact O-N 3.41Å; I961-F966 VanDerWaalsContact O-N 3.13Å; L962-F966 HydrophobicContact CD2-CD2 3.64Å; L962-F966 HydrophobicContact CD2-CE2 3.93Å; L962-F966 HydrophobicContact CD2-CG 4.42Å; F966-E970 VanDerWaalsContact CA-OE2 3.25Å; F966-E970 WeakPolarHBondContact CA-OE2 3.43Å; F966-E970 HydrophobicContact CB-CB 3.9Å; F966-E970 HydrophobicContact CD2-CB 3.86Å; F966-E970 HydrophobicContact CG-CB 3.95Å; F966-R971 HydrophobicContact CB-CG 4.22Å; F966-R971 PolarHBondContact O-NE 3.09Å; F966-R971 PolarHBondContact O-NH2 3.44Å; F966-R1054 HydrophobicContact CE1-CG 4.41Å; F966-L1057 HydrophobicContact CE2-CD2 4Å; F966-L1057 HydrophobicContact CE2-CG 4.18Å; F966-L1057 HydrophobicContact CZ-CB 4.36Å; F966-L1057 HydrophobicContact CZ-CD2 3.9Å; F966-L1057 HydrophobicContact CZ-CG 3.99Å; F966-R1058 HydrophobicContact CE1-CB 4.21Å; F966-R1058 HydrophobicContact CZ-CB 4.06Å; F966-I1061 HydrophobicContact CD2-CD1 4.14Å; F966-I1061 HydrophobicContact CE2-CD1 3.52Å; F966-I1061 HydrophobicContact CZ-CD1 4.16Å
967S90.8Very high90.1Very high42 Ų4240.4 Ų40.429%0.29421%0.212SC..  trans-72.4164.8172.985.70000112.4E969 E970 R971S967-E969 VanDerWaalsContact CB-OE2 3.28Å; S967-E969 WeakPolarHBondContact CB-OE2 3.44Å; S967-E969 PolarHBondContact O-N 3.11Å; S967-E969 PolarHBondContact OG-N 2.68Å; S967-E969 PolarHBondContact OG-OE2 2.83Å; S967-E970 PolarHBondContact N-OE2 3.44Å; S967-E970 VanDerWaalsContact N-OE2 3.12Å; S967-E970 PolarHBondContact O-N 3.12Å; S967-E970 VanDerWaalsContact O-N 3.09Å; S967-E970 PolarHBondContact OG-N 3.4Å; S967-R971 WeakPolarHBondContact O-CG 3.42Å; S967-R971 PolarHBondContact O-N 3.08Å
968P87.6Confident89.7Confident58 Ų5837.4 Ų37.438%0.37720%0.201SC..Hα-helixtrans-53.4-38.6173.4-26.436.1000113.2R971 A972P968-R971 PolarHBondContact O-N 3.24Å; P968-A972 PolarHBondContact O-N 2.68Å
969E86.4Confident89.1Confident124 Ų12437.6 Ų37.658%0.57920%0.202SC*.Hα-helixtrans-67.3-42.1175.9-55.976.5-16500111.6S967 R971 A972 M973S967-E969 VanDerWaalsContact CB-OE2 3.28Å; S967-E969 WeakPolarHBondContact CB-OE2 3.44Å; S967-E969 PolarHBondContact O-N 3.11Å; S967-E969 PolarHBondContact OG-N 2.68Å; S967-E969 PolarHBondContact OG-OE2 2.83Å; E969-R971 VanDerWaalsContact C-N 3.32Å; E969-R971 PolarHBondContact O-N 2.89Å; E969-A972 WeakPolarHBondContact O-CB 3.44Å; E969-A972 PolarHBondContact O-N 2.79Å; E969-M973 WeakPolarHBondContact O-CG 3.36Å; E969-M973 PolarHBondContact O-N 3.47Å
970E88.5Confident88.3Confident35 Ų3538.9 Ų38.916%0.16421%0.213CC..Hα-helixtrans-65.5-34.8175.6-67.4-174.1125.800112.2F966 S967 M973 F974 R1058 I1061F966-E970 VanDerWaalsContact CA-OE2 3.25Å; F966-E970 WeakPolarHBondContact CA-OE2 3.43Å; F966-E970 HydrophobicContact CB-CB 3.9Å; F966-E970 HydrophobicContact CD2-CB 3.86Å; F966-E970 HydrophobicContact CG-CB 3.95Å; S967-E970 PolarHBondContact N-OE2 3.44Å; S967-E970 VanDerWaalsContact N-OE2 3.12Å; S967-E970 PolarHBondContact O-N 3.12Å; S967-E970 VanDerWaalsContact O-N 3.09Å; S967-E970 PolarHBondContact OG-N 3.4Å; E970-M973 HydrophobicContact CB-CE 4.26Å; E970-M973 HydrophobicContact CG-CE 3.83Å; E970-M973 PolarHBondContact O-N 3.29Å; E970-F974 WeakPolarHBondContact O-CB 3.31Å; E970-F974 PolarHBondContact O-N 2.72Å; E970-R1058 IonicContact OE1-CZ 3.3Å; E970-R1058 IonicContact OE1-NE 3.19Å; E970-R1058 PolarHBondContact OE1-NE 2.7Å; E970-R1058 IonicContact OE1-NH2 3.87Å; E970-R1058 PolarHBondContact OE1-NH2 3.17Å; E970-R1058 IonicContact OE2-CZ 3Å; E970-R1058 IonicContact OE2-NE 2.74Å; E970-R1058 IonicContact OE2-NH2 3.45Å; E970-R1058 PolarHBondContact OE2-NH2 2.9Å; E970-I1061 HydrophobicContact CB-CD1 4.34Å; E970-I1061 WeakPolarHBondContact O-CD1 3.3Å
971R90.7Very high87.6Confident45 Ų4536.3 Ų36.317%0.1720%0.199CC..Hα-helixtrans-66.1-41172.3-66.6170.9-169.91665.3111.4I933 L962 A963 F966 S967 P968 E969 F974 L975I933-R971 VanDerWaalsContact CD1-C 3.44Å; I933-R971 HydrophobicContact CD1-CB 4.04Å; I933-R971 WeakPolarHBondContact CD1-O 3.26Å; L962-R971 PolarHBondContact O-NE 2.64Å; L962-R971 PolarHBondContact O-NH2 3.21Å; A963-R971 PolarHBondContact O-NH2 3.15Å; F966-R971 HydrophobicContact CB-CG 4.22Å; F966-R971 PolarHBondContact O-NE 3.09Å; F966-R971 PolarHBondContact O-NH2 3.44Å; S967-R971 WeakPolarHBondContact O-CG 3.42Å; S967-R971 PolarHBondContact O-N 3.08Å; P968-R971 PolarHBondContact O-N 3.24Å; E969-R971 VanDerWaalsContact C-N 3.32Å; E969-R971 PolarHBondContact O-N 2.89Å; R971-F974 WeakPolarHBondContact O-CB 3.47Å; R971-F974 PolarHBondContact O-N 2.91Å; R971-L975 PolarHBondContact O-N 3.25Å
972A86.4Confident86.9Confident26 Ų2637.7 Ų37.722%0.21521%0.209CC..Hα-helixtrans-63.6-41.1174.400000111.7P968 E969 L975 K976P968-A972 PolarHBondContact O-N 2.68Å; E969-A972 WeakPolarHBondContact O-CB 3.44Å; E969-A972 PolarHBondContact O-N 2.79Å; A972-L975 PolarHBondContact O-N 3.13Å; A972-K976 WeakPolarHBondContact O-CB 3.37Å; A972-K976 PolarHBondContact O-N 3.02Å
973M86.9Confident86.5Confident77 Ų7740.6 Ų40.638%0.37922%0.22SC..Hα-helixtrans-63.8-39.1172.4-72.2-171-70.400112.1E969 E970 K976 F977 I1061E969-M973 WeakPolarHBondContact O-CG 3.36Å; E969-M973 PolarHBondContact O-N 3.47Å; E970-M973 HydrophobicContact CB-CE 4.26Å; E970-M973 HydrophobicContact CG-CE 3.83Å; E970-M973 PolarHBondContact O-N 3.29Å; M973-K976 PolarHBondContact O-N 3.28Å; M973-F977 VanDerWaalsContact O-CB 3.24Å; M973-F977 WeakPolarHBondContact O-CB 3.44Å; M973-F977 PolarHBondContact O-N 3.41Å; M973-I1061 HydrophobicContact CB-CB 4.43Å; M973-I1061 HydrophobicContact CB-CD1 4.22Å
974F90.4Very high86.1Confident3 Ų339.1 Ų39.11%0.01321%0.207CC..Hα-helixtrans-62.8-46.2173.8169.7-100.5000112.1L938 L958 L962 E970 R971 K976 F977 V978 F996 L1042 L1057 I1061L938-F974 HydrophobicContact CD2-CE1 4.44Å; L958-F974 HydrophobicContact CD1-CE2 4.38Å; L962-F974 HydrophobicContact CD1-CD1 4Å; L962-F974 HydrophobicContact CD1-CE1 3.61Å; L962-F974 HydrophobicContact CD1-CE2 4.45Å; L962-F974 HydrophobicContact CD1-CZ 3.85Å; L962-F974 HydrophobicContact CD2-CB 4.12Å; L962-F974 HydrophobicContact CD2-CD1 3.8Å; L962-F974 HydrophobicContact CD2-CD2 4.08Å; L962-F974 HydrophobicContact CD2-CE1 4.22Å; L962-F974 HydrophobicContact CD2-CE2 4.47Å; L962-F974 HydrophobicContact CD2-CG 3.71Å; E970-F974 WeakPolarHBondContact O-CB 3.31Å; E970-F974 PolarHBondContact O-N 2.72Å; R971-F974 WeakPolarHBondContact O-CB 3.47Å; R971-F974 PolarHBondContact O-N 2.91Å; F974-K976 VanDerWaalsContact C-N 3.31Å; F974-K976 PolarHBondContact O-N 3.29Å; F974-F977 WeakPolarHBondContact O-CB 3.43Å; F974-F977 PolarHBondContact O-N 2.83Å; F974-V978 HydrophobicContact CD2-CG2 4.43Å; F974-V978 HydrophobicContact CE2-CG2 4.01Å; F974-V978 HydrophobicContact CZ-CG2 4.15Å; F974-V978 PolarHBondContact O-N 2.99Å; F974-V978 VanDerWaalsContact O-N 3.09Å; F974-F996 HydrophobicContact CE1-CE2 4.44Å; F974-F996 AromaticContact CE1-CZ 3.96Å; F974-F996 HydrophobicContact CE1-CZ 3.96Å; F974-F996 AromaticContact CZ-CZ 3.87Å; F974-F996 HydrophobicContact CZ-CZ 3.87Å; F974-L1042 HydrophobicContact CE2-CD2 3.95Å; F974-L1042 HydrophobicContact CZ-CD2 4.13Å; F974-L1057 HydrophobicContact CD2-CD1 4.07Å; F974-L1057 HydrophobicContact CD2-CD2 4.44Å; F974-L1057 HydrophobicContact CE2-CD1 4.12Å; F974-I1061 HydrophobicContact CB-CG2 4.24Å; F974-I1061 HydrophobicContact CD2-CG2 4.24Å
975L88.6Confident85.7Confident1 Ų134 Ų341%0.00518%0.18CC..Hα-helixtrans-62.5-41.9176.5-175.165.2000110.8I933 R971 A972 F977 V978 T979 C981 F989I933-L975 HydrophobicContact CD1-CB 3.66Å; I933-L975 HydrophobicContact CD1-CD2 3.78Å; I933-L975 HydrophobicContact CD1-CG 4.33Å; I933-L975 HydrophobicContact CG1-CD2 4Å; R971-L975 PolarHBondContact O-N 3.25Å; A972-L975 PolarHBondContact O-N 3.13Å; L975-F977 VanDerWaalsContact C-N 3.34Å; L975-F977 PolarHBondContact O-N 2.85Å; L975-V978 PolarHBondContact O-N 3.31Å; L975-T979 HydrophobicContact CD1-CG2 3.63Å; L975-T979 HydrophobicContact CG-CG2 4.39Å; L975-T979 WeakPolarHBondContact O-CA 3.14Å; L975-T979 WeakPolarHBondContact O-CB 3.39Å; L975-T979 PolarHBondContact O-N 2.87Å; L975-T979 PolarHBondContact O-OG1 3.5Å; L975-C981 CarbonylContact C-O 3.38Å; L975-C981 VanDerWaalsContact C-O 3.23Å; L975-C981 WeakPolarHBondContact CG-O 3.01Å; L975-F989 HydrophobicContact CD1-CE1 3.73Å; L975-F989 HydrophobicContact CD1-CZ 4.1Å; L975-F989 HydrophobicContact CD2-CE1 4.28Å; L975-F989 HydrophobicContact CD2-CZ 4.16Å
976K84.8Confident85.2Confident81 Ų8133.2 Ų33.235%0.35218%0.176SC..Hα-helixtrans-61.9-42.7174.6-172.3167-173.5151.80111.8D795 A972 M973 F974 V978 T979 S980 C981D795-K976 IonicContact OD2-NZ 2.89Å; D795-K976 PolarHBondContact OD2-NZ 2.85Å; A972-K976 WeakPolarHBondContact O-CB 3.37Å; A972-K976 PolarHBondContact O-N 3.02Å; M973-K976 PolarHBondContact O-N 3.28Å; F974-K976 VanDerWaalsContact C-N 3.31Å; F974-K976 PolarHBondContact O-N 3.29Å; K976-V978 VanDerWaalsContact C-N 3.27Å; K976-V978 PolarHBondContact O-N 3.13Å; K976-T979 PolarHBondContact O-N 2.9Å; K976-S980 WeakPolarHBondContact O-CA 3.37Å; K976-S980 PolarHBondContact O-N 3.49Å; K976-C981 WeakPolarHBondContact CA-O 3.42Å; K976-C981 PolarHBondContact N-O 3.02Å; K976-C981 VanDerWaalsContact N-O 3.08Å
977F85.4Confident84.8Confident2 Ų233.7 Ų33.71%0.00918%0.178CC..Hα-helixtrans-58.9-39.6177.9175.6-107.4000111.8M973 F974 L975 S1035 T1037 L1042 A1060 I1061M973-F977 VanDerWaalsContact O-CB 3.24Å; M973-F977 WeakPolarHBondContact O-CB 3.44Å; M973-F977 PolarHBondContact O-N 3.41Å; F974-F977 WeakPolarHBondContact O-CB 3.43Å; F974-F977 PolarHBondContact O-N 2.83Å; L975-F977 VanDerWaalsContact C-N 3.34Å; L975-F977 PolarHBondContact O-N 2.85Å; F977-S1035 WeakPolarHBondContact O-CB 3.47Å; F977-S1035 PolarHBondContact O-OG 3.21Å; F977-T1037 WeakPolarHBondContact O-CG2 3.21Å; F977-L1042 HydrophobicContact CD1-CD1 4.3Å; F977-L1042 HydrophobicContact CE1-CD1 3.79Å; F977-A1060 HydrophobicContact CE2-CB 4.3Å; F977-A1060 HydrophobicContact CZ-CB 4.03Å; F977-I1061 HydrophobicContact CB-CB 4.3Å; F977-I1061 HydrophobicContact CB-CG2 3.83Å; F977-I1061 HydrophobicContact CD1-CG2 3.95Å; F977-I1061 HydrophobicContact CG-CG2 3.87Å
978V86.1Confident84.5Confident0 Ų032.5 Ų32.50%017%0.173CC..Hα-helixtrans-90.7-29.8-178-175.80000113.5F974 L975 K976 F996 T1037 N1040 L1042F974-V978 HydrophobicContact CD2-CG2 4.43Å; F974-V978 HydrophobicContact CE2-CG2 4.01Å; F974-V978 HydrophobicContact CZ-CG2 4.15Å; F974-V978 PolarHBondContact O-N 2.99Å; F974-V978 VanDerWaalsContact O-N 3.09Å; L975-V978 PolarHBondContact O-N 3.31Å; K976-V978 VanDerWaalsContact C-N 3.27Å; K976-V978 PolarHBondContact O-N 3.13Å; V978-F996 HydrophobicContact CB-CE2 3.64Å; V978-F996 HydrophobicContact CB-CZ 4.15Å; V978-F996 HydrophobicContact CG1-CD2 3.93Å; V978-F996 HydrophobicContact CG1-CE2 3.31Å; V978-F996 HydrophobicContact CG1-CZ 3.73Å; V978-F996 HydrophobicContact CG2-CE2 4.12Å; V978-F996 HydrophobicContact CG2-CZ 4.15Å; V978-T1037 VanDerWaalsContact O-CA 3.31Å; V978-T1037 WeakPolarHBondContact O-CA 3.42Å; V978-N1040 WeakPolarHBondContact O-CA 3.26Å; V978-L1042 HydrophobicContact CG1-CB 4.09Å; V978-L1042 HydrophobicContact CG2-CB 3.97Å; V978-L1042 HydrophobicContact CG2-CD1 3.96Å; V978-L1042 HydrophobicContact CG2-CG 4.39Å
979T80.2Confident84.4Confident4 Ų430 Ų303%0.02516%0.156CC..Hα-helixtrans-120.3-4.6-16973.30000114.9K734 L975 K976 C981 L992 F996 N1040K734-T979 PolarHBondContact NZ-O 3.1Å; L975-T979 HydrophobicContact CD1-CG2 3.63Å; L975-T979 HydrophobicContact CG-CG2 4.39Å; L975-T979 WeakPolarHBondContact O-CA 3.14Å; L975-T979 WeakPolarHBondContact O-CB 3.39Å; L975-T979 PolarHBondContact O-N 2.87Å; L975-T979 PolarHBondContact O-OG1 3.5Å; K976-T979 PolarHBondContact O-N 2.9Å; T979-C981 PolarHBondContact O-N 3.03Å; T979-C981 PolarHBondContact OG1-N 3.45Å; T979-C981 PolarHBondContact OG1-O 2.91Å; T979-L992 HydrophobicContact CG2-CD2 4.23Å; T979-F996 HydrophobicContact CG2-CD2 3.95Å; T979-F996 HydrophobicContact CG2-CE2 4.25Å; T979-N1040 VanDerWaalsContact CA-OD1 3.3Å; T979-N1040 WeakPolarHBondContact CA-OD1 3.45Å; T979-N1040 VanDerWaalsContact CB-OD1 3.31Å; T979-N1040 WeakPolarHBondContact CB-OD1 3.35Å; T979-N1040 HydrophobicContact CG2-CB 4.18Å
980S78.1Confident84.3Confident42 Ų4226.7 Ų26.729%0.29415%0.15SC..SBendtrans68-7.4-169.1-124.50000115.3E738 K976E738-S980 VanDerWaalsContact OE1-CB 3.26Å; E738-S980 WeakPolarHBondContact OE1-CB 3.3Å; E738-S980 WeakPolarHBondContact OE2-CB 3.49Å; E738-S980 PolarHBondContact OE2-OG 2.64Å; K976-S980 WeakPolarHBondContact O-CA 3.37Å; K976-S980 PolarHBondContact O-N 3.49Å
981C77.6Confident83.9Confident3 Ų331 Ų312%0.0217%0.166CC..  trans-111.8132.9178.8-167.20000110.8V793 L975 K976 T979 R983V793-C981 HydrophobicContact CG2-CB 3.76Å; V793-C981 VanDerWaalsContact CG2-SG 3.57Å; L975-C981 CarbonylContact C-O 3.38Å; L975-C981 VanDerWaalsContact C-O 3.23Å; L975-C981 WeakPolarHBondContact CG-O 3.01Å; K976-C981 WeakPolarHBondContact CA-O 3.42Å; K976-C981 PolarHBondContact N-O 3.02Å; K976-C981 VanDerWaalsContact N-O 3.08Å; T979-C981 PolarHBondContact O-N 3.03Å; T979-C981 PolarHBondContact OG1-N 3.45Å; T979-C981 PolarHBondContact OG1-O 2.91Å; C981-R983 PolarHBondContact O-N 2.7Å; C981-R983 PolarHBondContact SG-N 3.09Å; C981-R983 VanDerWaalsContact SG-N 3.44Å; C981-R983 PolarHBondContact SG-O 2.97Å; C981-R983 VanDerWaalsContact SG-O 3.35Å
982S79.8Confident83.4Confident28 Ų2829.8 Ų29.820%0.19616%0.162CC..SBendtrans-77.2-9.8174.8540000113.3D795D795-S982 PolarHBondContact OD2-OG 3.45Å
983R83Confident82.5Confident62 Ų6235.6 Ų35.623%0.23418%0.183CC..SBendtrans-120.1138.3-168.8-68.3-175.9-164.1173.99.5112.2S927 D929 N930 C981S927-R983 WeakPolarHBondContact O-CB 3.41Å; S927-R983 WeakPolarHBondContact O-CD 3.02Å; D929-R983 VanDerWaalsContact O-CB 3.25Å; D929-R983 WeakPolarHBondContact O-CB 3.45Å; D929-R983 WeakPolarHBondContact O-CG 3.27Å; N930-R983 WeakPolarHBondContact OD1-CD 3.33Å; N930-R983 VanDerWaalsContact OD1-CZ 3.26Å; N930-R983 PolarHBondContact OD1-NE 3.36Å; N930-R983 PolarHBondContact OD1-NH1 3.17Å; C981-R983 PolarHBondContact O-N 2.7Å; C981-R983 PolarHBondContact SG-N 3.09Å; C981-R983 VanDerWaalsContact SG-N 3.44Å; C981-R983 PolarHBondContact SG-O 2.97Å; C981-R983 VanDerWaalsContact SG-O 3.35Å
984P83.3Confident82Confident11 Ų1133.8 Ų33.87%0.07118%0.177CC..  trans-68.7154.4177.528.7-35.1000112.1G928 D929 F989G928-P984 WeakPolarHBondContact CA-O 3.12Å; D929-P984 HydrophobicContact CB-CG 4.32Å; D929-P984 PolarHBondContact N-O 2.69Å; D929-P984 WeakPolarHBondContact O-CD 3.36Å; P984-F989 HydrophobicContact CB-CE1 4.36Å; P984-F989 HydrophobicContact CB-CE2 4.1Å; P984-F989 HydrophobicContact CB-CZ 3.71Å
985P82.5Confident81.6Confident17 Ų1736.6 Ų36.611%0.1120%0.195CC..  trans-64.5144.3172-18.831.1000112.4L987 G988 F989 L992P985-L987 PolarHBondContact O-N 3.41Å; P985-L987 VanDerWaalsContact O-N 3.11Å; P985-G988 PolarHBondContact O-N 2.9Å; P985-F989 HydrophobicContact CG-CD1 4.44Å; P985-L992 HydrophobicContact CG-CB 4.03Å; P985-L992 HydrophobicContact CG-CD1 3.65Å; P985-L992 HydrophobicContact CG-CG 4.41Å
986L80.8Confident81.7Confident29 Ų2936.6 Ų36.615%0.15220%0.196CC..THydrogen-bonded Turntrans-60.4-25.2-176.2-69.5171.4000115.8V656 R924 L925 D929V656-L986 HydrophobicContact CG1-CB 4.42Å; V656-L986 HydrophobicContact CG1-CD1 4.46Å; V656-L986 HydrophobicContact CG2-CD1 3.99Å; R924-L986 HydrophobicContact CB-CD1 4.31Å; R924-L986 HydrophobicContact CB-CD2 3.94Å; R924-L986 WeakPolarHBondContact O-CD1 3.33Å; L925-L986 HydrophobicContact CB-CD1 4.44Å; L925-L986 HydrophobicContact CD1-CD1 4.3Å; D929-L986 HydrophobicContact CB-CD2 3.7Å
987L82.9Confident81.9Confident17 Ų1733.1 Ų33.19%0.08918%0.181CC..THydrogen-bonded Turntrans-100.69.6-179.8-62.2179.9000112.6K653 V656 L657 R660 P985 Y991K653-L987 HydrophobicContact CG-CD2 3.86Å; V656-L987 HydrophobicContact CB-CD2 4.09Å; V656-L987 HydrophobicContact CG1-CD1 3.97Å; V656-L987 HydrophobicContact CG1-CD2 3.93Å; V656-L987 HydrophobicContact CG1-CG 3.8Å; L657-L987 HydrophobicContact CD2-CD1 3.65Å; L657-L987 HydrophobicContact CD2-CD2 3.99Å; L657-L987 HydrophobicContact CD2-CG 4.43Å; L657-L987 HydrophobicContact CG-CD1 4.22Å; L657-L987 HydrophobicContact CG-CD2 3.81Å; R660-L987 HydrophobicContact CG-CD1 4.18Å; P985-L987 PolarHBondContact O-N 3.41Å; P985-L987 VanDerWaalsContact O-N 3.11Å; L987-Y991 HydrophobicContact CB-CD1 4.29Å; L987-Y991 HydrophobicContact CB-CD2 3.36Å; L987-Y991 HydrophobicContact CB-CE2 3.87Å; L987-Y991 HydrophobicContact CB-CG 3.6Å; L987-Y991 HydrophobicContact CD1-CD1 3.78Å; L987-Y991 HydrophobicContact CD1-CD2 4.29Å; L987-Y991 HydrophobicContact CD1-CE1 3.94Å; L987-Y991 HydrophobicContact CD1-CE2 4.44Å; L987-Y991 HydrophobicContact CD1-CG 3.96Å; L987-Y991 HydrophobicContact CG-CD2 4.47Å; L987-Y991 HydrophobicContact CG-CG 4.45Å; L987-Y991 WeakPolarHBondContact O-CD2 3.39Å
988G83.9Confident82.2Confident17 Ų1733 Ų3318%0.17518%0.181CC..  trans85.2174.9-171.700000112.9D937 P985 A990 Y991D937-G988 VanDerWaalsContact OD2-CA 3.3Å; D937-G988 WeakPolarHBondContact OD2-CA 3.4Å; P985-G988 PolarHBondContact O-N 2.9Å; G988-A990 PolarHBondContact O-N 3.27Å; G988-Y991 PolarHBondContact O-N 3.31Å; G988-Y991 VanDerWaalsContact O-N 3.17Å
989F86.1Confident82.3Confident6 Ų639 Ų393%0.02620%0.204CC..G310 helixtrans-70.8-16.2-173.7-70.8-73.8000113.9I933 D937 L938 H941 L975 P984 P985 Y991 L992I933-F989 HydrophobicContact CG2-CE2 4.03Å; I933-F989 HydrophobicContact CG2-CZ 3.95Å; D937-F989 HydrophobicContact CB-CD2 4.36Å; D937-F989 PolarHBondContact OD2-N 3.03Å; L938-F989 VanDerWaalsContact CA-CD2 3.49Å; L938-F989 HydrophobicContact CB-CD2 3.59Å; L938-F989 HydrophobicContact CB-CE2 3.66Å; L938-F989 HydrophobicContact CB-CG 4.1Å; L938-F989 HydrophobicContact CB-CZ 4.24Å; L938-F989 HydrophobicContact CD1-CB 4.31Å; L938-F989 HydrophobicContact CD1-CD1 3.46Å; L938-F989 VanDerWaalsContact CD1-CD1 3.46Å; L938-F989 HydrophobicContact CD1-CD2 3.97Å; L938-F989 HydrophobicContact CD1-CE1 3.63Å; L938-F989 HydrophobicContact CD1-CE2 4.1Å; L938-F989 HydrophobicContact CD1-CG 3.63Å; L938-F989 HydrophobicContact CD1-CZ 3.93Å; L938-F989 HydrophobicContact CD2-CZ 4.46Å; L938-F989 HydrophobicContact CG-CD2 4.34Å; L938-F989 HydrophobicContact CG-CE2 4.31Å; L938-F989 HydrophobicContact CG-CG 4.46Å; L938-F989 HydrophobicContact CG-CZ 4.42Å; H941-F989 HydrophobicContact CB-CB 4.22Å; L975-F989 HydrophobicContact CD1-CE1 3.73Å; L975-F989 HydrophobicContact CD1-CZ 4.1Å; L975-F989 HydrophobicContact CD2-CE1 4.28Å; L975-F989 HydrophobicContact CD2-CZ 4.16Å; P984-F989 HydrophobicContact CB-CE1 4.36Å; P984-F989 HydrophobicContact CB-CE2 4.1Å; P984-F989 HydrophobicContact CB-CZ 3.71Å; P985-F989 HydrophobicContact CG-CD1 4.44Å; F989-Y991 PolarHBondContact O-N 2.96Å; F989-L992 HydrophobicContact CD1-CD2 4.23Å; F989-L992 WeakPolarHBondContact O-CB 3.49Å; F989-L992 PolarHBondContact O-N 3Å; F989-L992 VanDerWaalsContact O-N 3.1Å
990A84.8Confident82.4Confident55 Ų5539.7 Ų39.746%0.45521%0.208SC..G310 helixtrans-57.5-26.1169.600000113.5G988G988-A990 PolarHBondContact O-N 3.27Å
991Y79.1Confident82.4Confident125 Ų12538.8 Ų38.849%0.4920%0.201SC..G310 helixtrans-103.76.2-178.9-67.2-96.7000112.7L657 L987 G988 F989 K993L657-Y991 HydrophobicContact CD2-CE1 4.41Å; L987-Y991 HydrophobicContact CB-CD1 4.29Å; L987-Y991 HydrophobicContact CB-CD2 3.36Å; L987-Y991 HydrophobicContact CB-CE2 3.87Å; L987-Y991 HydrophobicContact CB-CG 3.6Å; L987-Y991 HydrophobicContact CD1-CD1 3.78Å; L987-Y991 HydrophobicContact CD1-CD2 4.29Å; L987-Y991 HydrophobicContact CD1-CE1 3.94Å; L987-Y991 HydrophobicContact CD1-CE2 4.44Å; L987-Y991 HydrophobicContact CD1-CG 3.96Å; L987-Y991 HydrophobicContact CG-CD2 4.47Å; L987-Y991 HydrophobicContact CG-CG 4.45Å; L987-Y991 WeakPolarHBondContact O-CD2 3.39Å; G988-Y991 PolarHBondContact O-N 3.31Å; G988-Y991 VanDerWaalsContact O-N 3.17Å; F989-Y991 PolarHBondContact O-N 2.96Å; Y991-K993 PolarHBondContact O-N 3.31Å
992L80.1Confident81.6Confident19 Ų1947 Ų4710%0.09924%0.239CC..  trans-69.6123.7171.2-171.469.6000108.9T979 P985 F989 P994 F996 N1040T979-L992 HydrophobicContact CG2-CD2 4.23Å; P985-L992 HydrophobicContact CG-CB 4.03Å; P985-L992 HydrophobicContact CG-CD1 3.65Å; P985-L992 HydrophobicContact CG-CG 4.41Å; F989-L992 HydrophobicContact CD1-CD2 4.23Å; F989-L992 WeakPolarHBondContact O-CB 3.49Å; F989-L992 PolarHBondContact O-N 3Å; F989-L992 VanDerWaalsContact O-N 3.1Å; L992-P994 CarbonylContact C-O 3.59Å; L992-P994 CarbonylContact O-C 3.52Å; L992-F996 HydrophobicContact CD2-CB 3.99Å; L992-N1040 HydrophobicContact CD2-CB 4.15Å; L992-N1040 WeakPolarHBondContact CG-ND2 3.38Å
993K69Low80.2Confident148 Ų14847.8 Ų47.864%0.64324%0.242SC*.SBendtrans-121.7125.4176.8-71.6-167.6174.7-1690110.5Y991Y991-K993 PolarHBondContact O-N 3.31Å
994P75.4Confident78.4Confident40 Ų4049 Ų4926%0.2626%0.261SS..SBendcis-61.3164.2-12.923.9-31.4000113.2L992 C1038 N1040L992-P994 CarbonylContact C-O 3.59Å; L992-P994 CarbonylContact O-C 3.52Å; P994-C1038 WeakPolarHBondContact CG-O 3.34Å; P994-N1040 PolarHBondContact O-ND2 2.87Å
995P83.1Confident76.5Confident61 Ų6153.4 Ų53.440%0.39628%0.284SS..PPolyproline II helixtrans-65.5150.2-179.327.8-35.1000112.1V943 S997V943-P995 HydrophobicContact CG2-CB 4.16Å; V943-P995 HydrophobicContact CG2-CG 4.26Å; P995-S997 PolarHBondContact O-N 3.19Å; P995-S997 PolarHBondContact O-OG 3.48Å
996F89.4Confident74.9Confident2 Ų259.6 Ų59.61%0.00932%0.316CS..PPolyproline II helixtrans-62.3127.5175.7-171.7-85.2000109.9L938 T942 V943 F974 V978 T979 L992 I998L938-F996 HydrophobicContact CD1-CB 3.96Å; L938-F996 HydrophobicContact CD1-CD1 4.11Å; L938-F996 HydrophobicContact CD1-CD2 3.8Å; L938-F996 HydrophobicContact CD1-CE2 4.28Å; L938-F996 HydrophobicContact CD1-CG 3.7Å; T942-F996 CarbonylContact C-O 3.59Å; T942-F996 WeakPolarHBondContact CA-O 3.42Å; T942-F996 HydrophobicContact CG2-CD1 3.84Å; T942-F996 HydrophobicContact CG2-CE1 4.25Å; T942-F996 WeakPolarHBondContact OG1-CD1 3.1Å; V943-F996 PolarHBondContact N-O 3.3Å; F974-F996 HydrophobicContact CE1-CE2 4.44Å; F974-F996 AromaticContact CE1-CZ 3.96Å; F974-F996 HydrophobicContact CE1-CZ 3.96Å; F974-F996 AromaticContact CZ-CZ 3.87Å; F974-F996 HydrophobicContact CZ-CZ 3.87Å; V978-F996 HydrophobicContact CB-CE2 3.64Å; V978-F996 HydrophobicContact CB-CZ 4.15Å; V978-F996 HydrophobicContact CG1-CD2 3.93Å; V978-F996 HydrophobicContact CG1-CE2 3.31Å; V978-F996 HydrophobicContact CG1-CZ 3.73Å; V978-F996 HydrophobicContact CG2-CE2 4.12Å; V978-F996 HydrophobicContact CG2-CZ 4.15Å; T979-F996 HydrophobicContact CG2-CD2 3.95Å; T979-F996 HydrophobicContact CG2-CE2 4.25Å; L992-F996 HydrophobicContact CD2-CB 3.99Å; F996-I998 HydrophobicContact CD1-CG1 4.38Å; F996-I998 HydrophobicContact CE1-CD1 4.03Å; F996-I998 HydrophobicContact CE1-CG1 3.77Å
997S89.2Confident73.5Confident8 Ų862 Ų626%0.05633%0.326CS..EExtended strand (participates in β ladder)trans-131.9144-169.5-62.50000111.6V943 P995 N1040 L1041 L1042V943-S997 CarbonylContact O-C 3.6Å; V943-S997 WeakPolarHBondContact O-CA 3.39Å; P995-S997 PolarHBondContact O-N 3.19Å; P995-S997 PolarHBondContact O-OG 3.48Å; S997-N1040 PolarHBondContact N-O 3.4Å; S997-L1041 CarbonylContact O-C 3.34Å; S997-L1041 WeakPolarHBondContact O-CA 3.46Å; S997-L1042 PolarHBondContact O-N 3.2Å
998I91.2Very high71.7Confident0 Ų064.8 Ų64.80%034%0.341CS..EExtended strand (participates in β ladder)trans-125.9125.4173.6-52.4-178.9000109.2T942 V943 Y944 Y945 F948 I955 L958 W959 F996 L1042 L1044T942-I998 HydrophobicContact CG2-CD1 3.84Å; T942-I998 HydrophobicContact CG2-CG1 3.75Å; V943-I998 PolarHBondContact O-N 2.98Å; Y944-I998 CarbonylContact C-O 3.44Å; Y944-I998 WeakPolarHBondContact CA-O 3.35Å; Y944-I998 HydrophobicContact CD1-CB 4.11Å; Y944-I998 HydrophobicContact CE1-CB 4.43Å; Y944-I998 HydrophobicContact CE1-CD1 4Å; Y945-I998 PolarHBondContact N-O 3.46Å; F948-I998 HydrophobicContact CD2-CG2 4.04Å; F948-I998 HydrophobicContact CE2-CG2 4.46Å; I955-I998 HydrophobicContact CD1-CD1 4.26Å; I955-I998 HydrophobicContact CD1-CG2 3.96Å; L958-I998 HydrophobicContact CD2-CD1 3.61Å; W959-I998 HydrophobicContact CZ2-CD1 4.39Å; F996-I998 HydrophobicContact CD1-CG1 4.38Å; F996-I998 HydrophobicContact CE1-CD1 4.03Å; F996-I998 HydrophobicContact CE1-CG1 3.77Å; I998-L1042 CarbonylContact C-O 3.55Å; I998-L1042 WeakPolarHBondContact CA-O 3.47Å; I998-L1042 HydrophobicContact CD1-CD2 4.4Å; I998-L1042 HydrophobicContact CG1-CB 4.26Å; I998-L1042 HydrophobicContact CG1-CD2 4.42Å; I998-L1042 HydrophobicContact CG2-CB 4.48Å; I998-L1042 HydrophobicContact CG2-CD2 4.38Å; I998-L1044 HydrophobicContact CG2-CB 4.14Å; I998-L1044 HydrophobicContact CG2-CD2 4.46Å
999R88.3Confident70.3Confident126 Ų12668.5 Ų68.548%0.47536%0.36SS..EExtended strand (participates in β ladder)trans-117.4132.4176.8178.9172.8179.5-179.51.6110.7Y945 V1001 L1041 L1042 K1043 L1044Y945-R999 WeakPolarHBondContact O-CA 3.48Å; R999-V1001 PolarHBondContact O-N 3.01Å; R999-L1041 HydrophobicContact CB-CD1 3.76Å; R999-L1042 PolarHBondContact N-O 3.1Å; R999-K1043 WeakPolarHBondContact O-CA 3.25Å; R999-L1044 PolarHBondContact O-N 3.1Å
1000C83.4Confident68.7Low17 Ų1770.4 Ų70.412%0.11538%0.382CS..EExtended strand (participates in β ladder)trans-66.3130.6167.6-168.70000110.1Y945 G946 F948 L1044Y945-C1000 PolarHBondContact O-N 3.37Å; Y945-C1000 VanDerWaalsContact O-N 3.16Å; G946-C1000 WeakPolarHBondContact O-CB 3.48Å; F948-C1000 HydrophobicContact CD1-CB 3.87Å; F948-C1000 HydrophobicContact CD2-CB 3.74Å; F948-C1000 HydrophobicContact CE1-CB 3.77Å; F948-C1000 VanDerWaalsContact CE1-SG 3.54Å; F948-C1000 VanDerWaalsContact CE2-CA 3.47Å; F948-C1000 HydrophobicContact CE2-CB 3.64Å; F948-C1000 HydrophobicContact CG-CB 3.87Å; F948-C1000 HydrophobicContact CZ-CB 3.66Å; F948-C1000 WeakPolarHBondContact CZ-SG 3.33Å; C1000-L1044 WeakPolarHBondContact CA-O 3.24Å
1001V78.3Confident67.2Low24 Ų2473.5 Ų73.515%0.14539%0.391CS..EExtended strand (participates in β ladder)trans-98.7115.5167.5-174.20000107.4R999 V1003 K1043 L1044R999-V1001 PolarHBondContact O-N 3.01Å; V1001-V1003 PolarHBondContact O-N 3.48Å; V1001-V1003 VanDerWaalsContact O-N 3.16Å; V1001-K1043 HydrophobicContact CG2-CB 3.56Å; V1001-K1043 HydrophobicContact CG2-CG 4.31Å; V1001-L1044 PolarHBondContact N-O 2.9Å; V1001-L1044 VanDerWaalsContact N-O 3.13Å
1002E59.4Low66.1Low174 Ų17470.8 Ų70.881%0.81339%0.388SS*.  trans-61.6117.8173-72.5177.1-17900108.9
1003V51.8Low64.7Low45 Ų4578 Ų7827%0.27343%0.425SS..  trans-79.2125.5164.1-174.70000104.7V1001 D1005 P1045V1001-V1003 PolarHBondContact O-N 3.48Å; V1001-V1003 VanDerWaalsContact O-N 3.16Å; V1003-D1005 PolarHBondContact O-N 2.98Å; V1003-P1045 HydrophobicContact CG2-CB 4.12Å
1004S44.6Very low63.9Low89 Ų8973.2 Ų73.262%0.62242%0.418SS*.  trans-21.8125.4178.249.20000113.6D1006S1004-D1006 PolarHBondContact O-N 3.17Å
1005D43.3Very low62.8Low103 Ų10372.3 Ų72.355%0.55141%0.413SS*.SBendtrans-7.4-15.1175.9-85.1-20.8000122.5V1003 R1018V1003-D1005 PolarHBondContact O-N 2.98Å; D1005-R1018 IonicContact OD1-CZ 3.28Å; D1005-R1018 IonicContact OD1-NH1 2.74Å; D1005-R1018 PolarHBondContact OD1-NH1 3.45Å; D1005-R1018 IonicContact OD1-NH2 2.76Å; D1005-R1018 IonicContact OD2-CZ 2.94Å; D1005-R1018 IonicContact OD2-NH1 3.78Å; D1005-R1018 IonicContact OD2-NH2 3.86Å; D1005-R1018 PolarHBondContact OD2-NH2 3.05Å
1006D49.8Very low61.3Low146 Ų14674.9 Ų74.978%0.78143%0.427SS*.SBendtrans-101.77.3-174.2-64.3-20000114.1S1004S1004-D1006 PolarHBondContact O-N 3.17Å
1007Q49.4Very low59.4Low80 Ų8082.1 Ų82.137%0.37447%0.465SS..  trans-126.414.1-179-63.9-16912.700115.6T1009Q1007-T1009 PolarHBondContact O-N 3.46Å; Q1007-T1009 VanDerWaalsContact O-N 3.11Å
1008D46.8Very low57.5Low76 Ų7688.2 Ų88.241%0.40649%0.487SS..  trans-8192.1176.1-158.88000111G1010 T1012 S1015D1008-G1010 VanDerWaalsContact C-N 3.27Å; D1008-G1010 PolarHBondContact O-N 3.34Å; D1008-G1010 VanDerWaalsContact O-N 3.13Å; D1008-T1012 PolarHBondContact OD2-OG1 3.14Å; D1008-S1015 PolarHBondContact OD2-OG 3.38Å; D1008-S1015 VanDerWaalsContact OD2-OG 3.08Å
1009T53.3Low55.4Low94 Ų9491.5 Ų91.558%0.57752%0.521SS*.  trans-82.372.5167.437.40000111.2R953 Q1007R953-T1009 PolarHBondContact NH2-O 3.32Å; R953-T1009 VanDerWaalsContact NH2-O 3.1Å; Q1007-T1009 PolarHBondContact O-N 3.46Å; Q1007-T1009 VanDerWaalsContact O-N 3.11Å
1010G52.9Low53.4Low47 Ų4794 Ų9449%0.48554%0.536SS..SBend89.414.5128.200000120.6D1008D1008-G1010 VanDerWaalsContact C-N 3.27Å; D1008-G1010 PolarHBondContact O-N 3.34Å; D1008-G1010 VanDerWaalsContact O-N 3.13Å
1011D54.3Low51.5Low119 Ų119101.9 Ų101.964%0.63657%0.568SS**  trans-115.62.7179-73.2-24.4000114.8R953R953-D1011 IonicContact CZ-OD2 3.9Å; R953-D1011 IonicContact NE-OD2 2.83Å; R953-D1011 IonicContact NH2-OD2 3.82Å; R953-D1011 PolarHBondContact NH2-OD2 3.5Å
1012T55Low49.7Very low69 Ų69107.1 Ų107.142%0.42360%0.6SS.*SBendtrans-98.1147177.154.10000111.5D1008 G1014 S1015D1008-T1012 PolarHBondContact OD2-OG1 3.14Å; T1012-G1014 PolarHBondContact O-N 3.24Å; T1012-G1014 VanDerWaalsContact O-N 3.07Å; T1012-S1015 WeakPolarHBondContact O-CB 3.39Å; T1012-S1015 PolarHBondContact O-N 2.93Å; T1012-S1015 PolarHBondContact OG1-OG 3Å; T1012-S1015 VanDerWaalsContact OG1-OG 3.06Å
1013L51.4Low48.8Very low169 Ų169106.9 Ų106.989%0.88560%0.603SS**THydrogen-bonded Turntrans-55.2-25.9175.2-92.5154.3000113.1
1014G51Low48.4Very low48 Ų48116.5 Ų116.550%0.49563%0.634SS.*THydrogen-bonded Turntrans-73.5-27.3173.200000114.5T1012 V1016 L1017 R1018T1012-G1014 PolarHBondContact O-N 3.24Å; T1012-G1014 VanDerWaalsContact O-N 3.07Å; G1014-V1016 PolarHBondContact O-N 3.48Å; G1014-L1017 PolarHBondContact O-N 3.43Å; G1014-R1018 PolarHBondContact O-N 3.04Å
1015S52.7Low47.9Very low22 Ų22122.4 Ų122.415%0.15465%0.649CS.*Hα-helixtrans-70.4-28.1-178-810000113.6D1008 T1012 L1017 R1018 G1019D1008-S1015 PolarHBondContact OD2-OG 3.38Å; D1008-S1015 VanDerWaalsContact OD2-OG 3.08Å; T1012-S1015 WeakPolarHBondContact O-CB 3.39Å; T1012-S1015 PolarHBondContact O-N 2.93Å; T1012-S1015 PolarHBondContact OG1-OG 3Å; T1012-S1015 VanDerWaalsContact OG1-OG 3.06Å; S1015-L1017 VanDerWaalsContact C-N 3.3Å; S1015-L1017 PolarHBondContact O-N 2.9Å; S1015-R1018 PolarHBondContact O-N 3.5Å; S1015-G1019 PolarHBondContact O-N 3.45Å
1016V52.6Low47.6Very low115 Ų115127.4 Ų127.470%0.69767%0.666SS**Hα-helixtrans-69-30.1178.2-173.90000111.7G1014G1014-V1016 PolarHBondContact O-N 3.48Å
1017L48.8Very low47.4Very low153 Ų153129 Ų12980%0.80167%0.668SS**Hα-helixtrans-82.9-28.8177.5-74.7162.7000112.7G1014 S1015G1014-L1017 PolarHBondContact O-N 3.43Å; S1015-L1017 VanDerWaalsContact C-N 3.3Å; S1015-L1017 PolarHBondContact O-N 2.9Å
1018R50.1Low47Very low136 Ų136129.4 Ų129.451%0.51368%0.678SS.*Hα-helixtrans-85.5-20.2-176.5-140.4177.3-169.9170.13.5113.5D1005 G1014 S1015 F1020 F1021D1005-R1018 IonicContact OD1-CZ 3.28Å; D1005-R1018 IonicContact OD1-NH1 2.74Å; D1005-R1018 PolarHBondContact OD1-NH1 3.45Å; D1005-R1018 IonicContact OD1-NH2 2.76Å; D1005-R1018 IonicContact OD2-CZ 2.94Å; D1005-R1018 IonicContact OD2-NH1 3.78Å; D1005-R1018 IonicContact OD2-NH2 3.86Å; D1005-R1018 PolarHBondContact OD2-NH2 3.05Å; G1014-R1018 PolarHBondContact O-N 3.04Å; S1015-R1018 PolarHBondContact O-N 3.5Å; R1018-F1020 PolarHBondContact O-N 2.96Å; R1018-F1021 PolarHBondContact O-N 3.29Å
1019G47.2Very low47.3Very low69 Ų69129.5 Ų129.571%0.71170%0.696SS**THydrogen-bonded Turntrans-62.1-8.7-178.700000116.6S1015S1015-G1019 PolarHBondContact O-N 3.45Å
1020F44.8Very low47.8Very low180 Ų180126.2 Ų126.279%0.78968%0.682SS**THydrogen-bonded Turntrans-88.1-15.6179.2-87.4-84.9000115R1018R1018-F1020 PolarHBondContact O-N 2.96Å
1021F45.2Very low48.8Very low182 Ų182128.7 Ų128.780%0.79868%0.676SS**SBendtrans-148.390.9-177.4-71.1-84.2000111.3R1018R1018-F1021 PolarHBondContact O-N 3.29Å
1022T39.7Very low50.1Low134 Ų134124.8 Ų124.882%0.82266%0.655SS**  trans175150.4134.432.50000114.6
1023I40.7Very low51.6Low169 Ų169121.5 Ų121.587%0.86764%0.635SS**  trans-84.1141-172.5-70.9161.6000111.5
1024R42.2Very low53.1Low246 Ų246114 Ų11493%0.92860%0.597SS**  trans-63.6128.5-178.7-68.2177.7174.9175-1.8113.5
1025K35.5Very low54.7Low213 Ų213112.2 Ų112.293%0.92658%0.576SS**  trans-123.3153159-109.4-178.2179.3178.40111.3
1026K37.2Very low55.9Low209 Ų209111.5 Ų111.591%0.90957%0.571SS**PPolyproline II helixtrans-82.5149.6-161.4-149.3175.1-178.1-178.40112.9
1027E45.7Very low57Low180 Ų180107.2 Ų107.284%0.84155%0.545SS*.PPolyproline II helixtrans-55.6140.5-166.3-57.9-173.4162.800118.1
1028P41.1Very low58Low88 Ų88100.1 Ų100.157%0.57151%0.508SS*.PPolyproline II helixtrans-102.6138.715019-0.9000111.6G1030P1028-G1030 PolarHBondContact O-N 3.27Å
1029G51.7Low59.1Low77 Ų7796.9 Ų96.979%0.79450%0.498SS*.PPolyproline II helixtrans-53.5118.1176.800000112.3
1030G63.2Low60.9Low26 Ų2693.6 Ų93.627%0.26846%0.464SS..PPolyproline II helixtrans-55.8145.3-171.800000114.8P1028 K1056P1028-G1030 PolarHBondContact O-N 3.27Å; G1030-K1056 PolarHBondContact O-NZ 3.47Å
1031R73.9Confident62.9Low98 Ų9886 Ų8637%0.3743%0.432SS..PPolyproline II helixtrans-49.1143.8173.1-170.1175.2179154.57.2110.6P1045 Y1047 S1070R1031-P1045 HydrophobicContact CB-CG 4.24Å; R1031-Y1047 PolarHBondContact O-OH 2.62Å; R1031-S1070 PolarHBondContact NH2-OXT 3.07Å
1032L82.1Confident65Low38 Ų3877.4 Ų77.420%0.19939%0.394CS..PPolyproline II helixtrans-71.4153.9173.4-74.5166.8000110.8T1034 K1056 Y1059L1032-T1034 PolarHBondContact O-N 2.97Å; L1032-K1056 HydrophobicContact CD2-CB 4.15Å; L1032-K1056 HydrophobicContact CD2-CD 3.49Å; L1032-K1056 VanDerWaalsContact CD2-CD 3.49Å; L1032-K1056 HydrophobicContact CD2-CG 4.46Å; L1032-K1056 HydrophobicContact CG-CD 4.44Å; L1032-Y1059 HydrophobicContact CD1-CD1 3.93Å; L1032-Y1059 HydrophobicContact CD1-CE1 3.94Å; L1032-Y1059 HydrophobicContact CD2-CD1 3.8Å
1033P86.1Confident67.3Low0 Ų073.6 Ų73.60%037%0.366CS..PPolyproline II helixtrans-59.1137.4163.8-14.531000108.5L1042 L1044 Y1047 L1057 A1060P1033-L1042 HydrophobicContact CB-CD1 4.3Å; P1033-L1044 HydrophobicContact CB-CD1 3.97Å; P1033-L1044 HydrophobicContact CG-CD1 4.04Å; P1033-Y1047 WeakPolarHBondContact CD-OH 3.41Å; P1033-Y1047 HydrophobicContact CG-CE2 4.29Å; P1033-Y1047 WeakPolarHBondContact CG-OH 3.36Å; P1033-L1057 HydrophobicContact CB-CD1 4.41Å; P1033-L1057 HydrophobicContact CG-CD1 4.26Å; P1033-A1060 HydrophobicContact CG-CB 4.41Å
1034T84.3Confident69.5Low12 Ų1265.5 Ų65.57%0.07433%0.325CS..EExtended strand (participates in β ladder)trans-122.1158.9174.955.70000108.7L1032 K1043L1032-T1034 PolarHBondContact O-N 2.97Å; T1034-K1043 PolarHBondContact N-O 3.48Å; T1034-K1043 WeakPolarHBondContact O-CA 3.35Å; T1034-K1043 WeakPolarHBondContact O-CB 3.21Å; T1034-K1043 PolarHBondContact O-N 3.32Å; T1034-K1043 WeakPolarHBondContact OG1-CB 3.35Å
1035S83.6Confident71.7Confident9 Ų954 Ų546%0.06328%0.281CS..EExtended strand (participates in β ladder)trans-122.2158.8175.759.40000111.5F977 L1041F977-S1035 WeakPolarHBondContact O-CB 3.47Å; F977-S1035 PolarHBondContact O-OG 3.21Å; S1035-L1041 CarbonylContact C-O 3.37Å; S1035-L1041 VanDerWaalsContact CA-O 3.32Å; S1035-L1041 WeakPolarHBondContact CA-O 3.26Å
1036S79.1Confident74Confident7 Ų746 Ų465%0.04925%0.249CC..EExtended strand (participates in β ladder)trans-126.488.5163.8-590000106.5C1038 F1039 N1040 L1041 K1043S1036-C1038 PolarHBondContact O-N 2.9Å; S1036-F1039 PolarHBondContact O-N 2.8Å; S1036-N1040 PolarHBondContact O-N 3.14Å; S1036-L1041 PolarHBondContact N-O 3.3Å; S1036-L1041 PolarHBondContact O-N 3.34Å; S1036-L1041 VanDerWaalsContact O-N 3.13Å; S1036-K1043 VanDerWaalsContact OG-CE 3.25Å; S1036-K1043 WeakPolarHBondContact OG-CE 3.37Å; S1036-K1043 PolarHBondContact OG-NZ 3Å
1037T75.3Confident76.2Confident26 Ų2636.5 Ų36.516%0.1621%0.207CC..G310 helixtrans-56.8-31.7-173.549.90000113.3K734 F977 V978 F1039 N1040K734-T1037 PolarHBondContact NZ-O 2.83Å; F977-T1037 WeakPolarHBondContact O-CG2 3.21Å; V978-T1037 VanDerWaalsContact O-CA 3.31Å; V978-T1037 WeakPolarHBondContact O-CA 3.42Å; T1037-F1039 PolarHBondContact O-N 2.65Å; T1037-N1040 PolarHBondContact O-N 3.42Å; T1037-N1040 VanDerWaalsContact O-N 3.12Å; T1037-N1040 PolarHBondContact O-OD1 3.04Å
1038C68.5Low77.9Confident3 Ų331.2 Ų31.22%0.0219%0.19CC..G310 helixtrans-49.4-38.8170.6-41.90000113.4G731 E735 P994 S1036G731-C1038 WeakPolarHBondContact O-CB 3.37Å; E735-C1038 HydrophobicContact CB-CB 4.42Å; E735-C1038 WeakPolarHBondContact CB-SG 3.27Å; E735-C1038 VanDerWaalsContact CD-SG 3.59Å; E735-C1038 VanDerWaalsContact CG-SG 3.55Å; E735-C1038 PolarHBondContact OE2-SG 3.29Å; P994-C1038 WeakPolarHBondContact CG-O 3.34Å; S1036-C1038 PolarHBondContact O-N 2.9Å
1039F75Confident80Confident69 Ų6933.2 Ų33.230%0.30319%0.19SC..G310 helixtrans-106.93.4-176.1-66.7-72.5000113.2Q729 S1036 T1037 L1041Q729-F1039 WeakPolarHBondContact O-CE1 3.35Å; Q729-F1039 WeakPolarHBondContact O-CZ 3.39Å; S1036-F1039 PolarHBondContact O-N 2.8Å; T1037-F1039 PolarHBondContact O-N 2.65Å; F1039-L1041 HydrophobicContact CB-CB 3.76Å; F1039-L1041 PolarHBondContact O-N 2.95Å
1040N84.1Confident81.7Confident0 Ų032.6 Ų32.60%017%0.166CC..THydrogen-bonded Turntrans48.539.1-166.2-61.9-38.1000111.5K734 V978 T979 L992 P994 S997 S1036 T1037K734-N1040 PolarHBondContact NZ-OD1 3.14Å; V978-N1040 WeakPolarHBondContact O-CA 3.26Å; T979-N1040 VanDerWaalsContact CA-OD1 3.3Å; T979-N1040 WeakPolarHBondContact CA-OD1 3.45Å; T979-N1040 VanDerWaalsContact CB-OD1 3.31Å; T979-N1040 WeakPolarHBondContact CB-OD1 3.35Å; T979-N1040 HydrophobicContact CG2-CB 4.18Å; L992-N1040 HydrophobicContact CD2-CB 4.15Å; L992-N1040 WeakPolarHBondContact CG-ND2 3.38Å; P994-N1040 PolarHBondContact O-ND2 2.87Å; S997-N1040 PolarHBondContact N-O 3.4Å; S1036-N1040 PolarHBondContact O-N 3.14Å; T1037-N1040 PolarHBondContact O-N 3.42Å; T1037-N1040 VanDerWaalsContact O-N 3.12Å; T1037-N1040 PolarHBondContact O-OD1 3.04Å
1041L85.9Confident82.8Confident21 Ų2133.9 Ų33.911%0.1117%0.171CC..EExtended strand (participates in β ladder)trans-106.1118.4-169.9177.265.6000111.3S997 R999 S1035 S1036 F1039 K1043S997-L1041 CarbonylContact O-C 3.34Å; S997-L1041 WeakPolarHBondContact O-CA 3.46Å; R999-L1041 HydrophobicContact CB-CD1 3.76Å; S1035-L1041 CarbonylContact C-O 3.37Å; S1035-L1041 VanDerWaalsContact CA-O 3.32Å; S1035-L1041 WeakPolarHBondContact CA-O 3.26Å; S1036-L1041 PolarHBondContact N-O 3.3Å; S1036-L1041 PolarHBondContact O-N 3.34Å; S1036-L1041 VanDerWaalsContact O-N 3.13Å; F1039-L1041 HydrophobicContact CB-CB 3.76Å; F1039-L1041 PolarHBondContact O-N 2.95Å; L1041-K1043 HydrophobicContact CD2-CG 4.25Å; L1041-K1043 HydrophobicContact CG-CG 4.32Å
1042L90.1Very high83.4Confident0 Ų031.9 Ų31.90%017%0.166CC..EExtended strand (participates in β ladder)trans-88.9117.3166.8179.366.5000109.7L958 F974 F977 V978 S997 I998 R999 P1033 L1044L958-L1042 HydrophobicContact CD2-CD2 4.04Å; F974-L1042 HydrophobicContact CE2-CD2 3.95Å; F974-L1042 HydrophobicContact CZ-CD2 4.13Å; F977-L1042 HydrophobicContact CD1-CD1 4.3Å; F977-L1042 HydrophobicContact CE1-CD1 3.79Å; V978-L1042 HydrophobicContact CG1-CB 4.09Å; V978-L1042 HydrophobicContact CG2-CB 3.97Å; V978-L1042 HydrophobicContact CG2-CD1 3.96Å; V978-L1042 HydrophobicContact CG2-CG 4.39Å; S997-L1042 PolarHBondContact O-N 3.2Å; I998-L1042 CarbonylContact C-O 3.55Å; I998-L1042 WeakPolarHBondContact CA-O 3.47Å; I998-L1042 HydrophobicContact CD1-CD2 4.4Å; I998-L1042 HydrophobicContact CG1-CB 4.26Å; I998-L1042 HydrophobicContact CG1-CD2 4.42Å; I998-L1042 HydrophobicContact CG2-CB 4.48Å; I998-L1042 HydrophobicContact CG2-CD2 4.38Å; R999-L1042 PolarHBondContact N-O 3.1Å; P1033-L1042 HydrophobicContact CB-CD1 4.3Å; L1042-L1044 HydrophobicContact CD2-CB 4.42Å; L1042-L1044 HydrophobicContact CD2-CD1 4.49Å; L1042-L1044 HydrophobicContact CG-CB 4.25Å
1043K87.8Confident83.7Confident54 Ų5430 Ų3024%0.23516%0.157CC..EExtended strand (participates in β ladder)trans-92.2102.8172.1-69176.6-175.7169.70108.3R999 V1001 T1034 S1036 L1041R999-K1043 WeakPolarHBondContact O-CA 3.25Å; V1001-K1043 HydrophobicContact CG2-CB 3.56Å; V1001-K1043 HydrophobicContact CG2-CG 4.31Å; T1034-K1043 PolarHBondContact N-O 3.48Å; T1034-K1043 WeakPolarHBondContact O-CA 3.35Å; T1034-K1043 WeakPolarHBondContact O-CB 3.21Å; T1034-K1043 PolarHBondContact O-N 3.32Å; T1034-K1043 WeakPolarHBondContact OG1-CB 3.35Å; S1036-K1043 VanDerWaalsContact OG-CE 3.25Å; S1036-K1043 WeakPolarHBondContact OG-CE 3.37Å; S1036-K1043 PolarHBondContact OG-NZ 3Å; L1041-K1043 HydrophobicContact CD2-CG 4.25Å; L1041-K1043 HydrophobicContact CG-CG 4.32Å
1044L87.4Confident83.9Confident0 Ų034 Ų340%017%0.172CC..EExtended strand (participates in β ladder)trans-113.5121.2-170.2-172.470.3000111F948 V954 I955 L958 I998 R999 C1000 V1001 P1033 L1042 Y1047 L1053F948-L1044 HydrophobicContact CE2-CB 4.04Å; F948-L1044 HydrophobicContact CE2-CD2 4.27Å; F948-L1044 HydrophobicContact CE2-CG 4.39Å; F948-L1044 WeakPolarHBondContact CE2-O 3.47Å; V954-L1044 HydrophobicContact CG1-CD2 3.77Å; V954-L1044 HydrophobicContact CG1-CG 4.36Å; I955-L1044 HydrophobicContact CD1-CD2 4.45Å; L958-L1044 HydrophobicContact CD2-CD2 4.21Å; I998-L1044 HydrophobicContact CG2-CB 4.14Å; I998-L1044 HydrophobicContact CG2-CD2 4.46Å; R999-L1044 PolarHBondContact O-N 3.1Å; C1000-L1044 WeakPolarHBondContact CA-O 3.24Å; V1001-L1044 PolarHBondContact N-O 2.9Å; V1001-L1044 VanDerWaalsContact N-O 3.13Å; P1033-L1044 HydrophobicContact CB-CD1 3.97Å; P1033-L1044 HydrophobicContact CG-CD1 4.04Å; L1042-L1044 HydrophobicContact CD2-CB 4.42Å; L1042-L1044 HydrophobicContact CD2-CD1 4.49Å; L1042-L1044 HydrophobicContact CG-CB 4.25Å; L1044-Y1047 HydrophobicContact CD1-CE2 3.93Å; L1044-L1053 HydrophobicContact CD1-CD1 3.71Å; L1044-L1053 HydrophobicContact CD2-CD1 4.45Å
1045P87.1Confident84.1Confident3 Ų339.3 Ų39.32%0.01920%0.196CC..EExtended strand (participates in β ladder)trans-64.7151.5172.5-2435.1000112.8V1003 R1031 Y1047V1003-P1045 HydrophobicContact CG2-CB 4.12Å; R1031-P1045 HydrophobicContact CB-CG 4.24Å; P1045-Y1047 VanDerWaalsContact C-N 3.33Å; P1045-Y1047 HydrophobicContact CB-CD2 4.5Å; P1045-Y1047 HydrophobicContact CB-CE1 4.16Å; P1045-Y1047 HydrophobicContact CB-CE2 4.09Å; P1045-Y1047 HydrophobicContact CG-CE1 4.42Å; P1045-Y1047 HydrophobicContact CG-CE2 4.23Å; P1045-Y1047 VanDerWaalsContact O-CD2 3.26Å; P1045-Y1047 WeakPolarHBondContact O-CD2 3.46Å; P1045-Y1047 PolarHBondContact O-N 3.39Å
1046N84.1Confident84.3Confident45 Ų4542 Ų4224%0.24121%0.207CC..  trans-76.780.1173.5-169.213.5000111.1V954V954-N1046 WeakPolarHBondContact CG2-OD1 3.45Å
1047Y84.5Confident84.8Confident10 Ų1041.7 Ų41.74%0.03920%0.204CC..  trans-67.9141.4-179-63.3-73000112.7W957 R1031 P1033 L1044 P1045 I1052 L1053 K1056W957-Y1047 WeakPolarHBondContact CZ3-O 3.21Å; R1031-Y1047 PolarHBondContact O-OH 2.62Å; P1033-Y1047 WeakPolarHBondContact CD-OH 3.41Å; P1033-Y1047 HydrophobicContact CG-CE2 4.29Å; P1033-Y1047 WeakPolarHBondContact CG-OH 3.36Å; L1044-Y1047 HydrophobicContact CD1-CE2 3.93Å; P1045-Y1047 VanDerWaalsContact C-N 3.33Å; P1045-Y1047 HydrophobicContact CB-CD2 4.5Å; P1045-Y1047 HydrophobicContact CB-CE1 4.16Å; P1045-Y1047 HydrophobicContact CB-CE2 4.09Å; P1045-Y1047 HydrophobicContact CG-CE1 4.42Å; P1045-Y1047 HydrophobicContact CG-CE2 4.23Å; P1045-Y1047 VanDerWaalsContact O-CD2 3.26Å; P1045-Y1047 WeakPolarHBondContact O-CD2 3.46Å; P1045-Y1047 PolarHBondContact O-N 3.39Å; Y1047-I1052 HydrophobicContact CD1-CG2 3.72Å; Y1047-I1052 HydrophobicContact CE1-CG2 4.19Å; Y1047-I1052 HydrophobicContact CG-CG2 4.48Å; Y1047-L1053 HydrophobicContact CD2-CB 3.89Å; Y1047-L1053 HydrophobicContact CD2-CD1 3.63Å; Y1047-L1053 HydrophobicContact CD2-CG 4.31Å; Y1047-L1053 HydrophobicContact CE2-CD1 3.7Å; Y1047-L1053 HydrophobicContact CG-CB 4.28Å; Y1047-K1056 HydrophobicContact CE1-CB 4.4Å; Y1047-K1056 HydrophobicContact CE1-CG 4.29Å
1048S80.5Confident85.5Confident69 Ų6944.2 Ų44.248%0.48321%0.211SC..SBendtrans-76.2-32.4175.158.10000113.5W957W957-S1048 WeakPolarHBondContact CH2-O 3.5Å
1049K85.3Confident86.4Confident131 Ų13149.8 Ų49.857%0.5723%0.232SC*.  trans-98124.7-178.538.5144.6171.5166.10117.2S1051 I1052 L1053K1049-S1051 VanDerWaalsContact C-N 3.32Å; K1049-S1051 PolarHBondContact O-N 3.16Å; K1049-I1052 HydrophobicContact CB-CD1 4.48Å; K1049-I1052 HydrophobicContact CD-CD1 4.46Å; K1049-I1052 HydrophobicContact CG-CD1 4.04Å; K1049-I1052 PolarHBondContact O-N 2.9Å; K1049-L1053 PolarHBondContact O-N 3.16Å; K1049-L1053 VanDerWaalsContact O-N 3.08Å
1050K87.1Confident86.9Confident64 Ų6446.5 Ų46.528%0.27822%0.218SC..Hα-helixtrans-58.2-43.7162.5-176.9-177.9176.4-159.80111.6W957 D960 I961 D965 I1052 L1053 R1054W957-K1050 HydrophobicContact CB-CB 4.48Å; W957-K1050 HydrophobicContact CB-CG 4.06Å; W957-K1050 HydrophobicContact CD2-CB 3.82Å; W957-K1050 HydrophobicContact CD2-CG 4.35Å; W957-K1050 HydrophobicContact CE3-CB 4.14Å; W957-K1050 HydrophobicContact CG-CB 3.97Å; W957-K1050 HydrophobicContact CG-CD 4.36Å; W957-K1050 HydrophobicContact CG-CG 3.96Å; D960-K1050 VanDerWaalsContact OD2-CE 3.27Å; D960-K1050 WeakPolarHBondContact OD2-CE 3.49Å; D960-K1050 IonicContact OD2-NZ 3.72Å; D960-K1050 PolarHBondContact OD2-NZ 3.39Å; I961-K1050 HydrophobicContact CD1-CG 4.04Å; I961-K1050 HydrophobicContact CG1-CG 4.3Å; D965-K1050 IonicContact OD2-NZ 3.58Å; K1050-I1052 VanDerWaalsContact C-N 3.33Å; K1050-I1052 PolarHBondContact O-N 2.94Å; K1050-L1053 PolarHBondContact O-N 3.47Å; K1050-R1054 PolarHBondContact O-N 2.65Å
1051S86.8Confident87.1Confident53 Ų5346.9 Ų46.937%0.37122%0.22SC..Hα-helixtrans-62.1-39.2178.2550000112.8K1049 R1054 E1055K1049-S1051 VanDerWaalsContact C-N 3.32Å; K1049-S1051 PolarHBondContact O-N 3.16Å; S1051-R1054 PolarHBondContact O-N 3.11Å; S1051-E1055 PolarHBondContact O-N 2.71Å
1052I86.6Confident86.9Confident55 Ų5549.2 Ų49.228%0.28224%0.238SC..Hα-helixtrans-64.2-46.6177.5-58.9176.3000110.1Y1047 K1049 K1050 R1054 E1055 K1056Y1047-I1052 HydrophobicContact CD1-CG2 3.72Å; Y1047-I1052 HydrophobicContact CE1-CG2 4.19Å; Y1047-I1052 HydrophobicContact CG-CG2 4.48Å; K1049-I1052 HydrophobicContact CB-CD1 4.48Å; K1049-I1052 HydrophobicContact CD-CD1 4.46Å; K1049-I1052 HydrophobicContact CG-CD1 4.04Å; K1049-I1052 PolarHBondContact O-N 2.9Å; K1050-I1052 VanDerWaalsContact C-N 3.33Å; K1050-I1052 PolarHBondContact O-N 2.94Å; I1052-R1054 VanDerWaalsContact C-N 3.32Å; I1052-R1054 PolarHBondContact O-N 3.18Å; I1052-E1055 PolarHBondContact O-N 2.94Å; I1052-K1056 HydrophobicContact CG2-CG 4.07Å; I1052-K1056 VanDerWaalsContact O-CB 3.22Å; I1052-K1056 WeakPolarHBondContact O-CB 3.39Å; I1052-K1056 WeakPolarHBondContact O-CG 3.48Å; I1052-K1056 PolarHBondContact O-N 3.03Å
1053L89Confident86.1Confident0 Ų054.5 Ų54.50%026%0.264CS..Hα-helixtrans-56.6-46.8174.3170.761000111V954 W957 L958 I961 L1044 Y1047 K1049 K1050 L1057V954-L1053 HydrophobicContact CG1-CD2 4.17Å; W957-L1053 HydrophobicContact CB-CD2 3.8Å; L958-L1053 HydrophobicContact CB-CD2 4.23Å; I961-L1053 HydrophobicContact CD1-CB 4.13Å; I961-L1053 HydrophobicContact CD1-CD2 3.73Å; I961-L1053 HydrophobicContact CD1-CG 3.68Å; L1044-L1053 HydrophobicContact CD1-CD1 3.71Å; L1044-L1053 HydrophobicContact CD2-CD1 4.45Å; Y1047-L1053 HydrophobicContact CD2-CB 3.89Å; Y1047-L1053 HydrophobicContact CD2-CD1 3.63Å; Y1047-L1053 HydrophobicContact CD2-CG 4.31Å; Y1047-L1053 HydrophobicContact CE2-CD1 3.7Å; Y1047-L1053 HydrophobicContact CG-CB 4.28Å; K1049-L1053 PolarHBondContact O-N 3.16Å; K1049-L1053 VanDerWaalsContact O-N 3.08Å; K1050-L1053 PolarHBondContact O-N 3.47Å; L1053-L1057 HydrophobicContact CD1-CB 4.48Å; L1053-L1057 WeakPolarHBondContact O-CB 3.27Å; L1053-L1057 PolarHBondContact O-N 2.83Å
1054R90.8Very high84.8Confident82 Ų8256.7 Ų56.731%0.30928%0.278SS..Hα-helixtrans-59.7-52.1-179.5-174.8179.767.6177.91.8112.3I961 D965 F966 K1050 S1051 I1052 R1058I961-R1054 HydrophobicContact CD1-CB 3.77Å; I961-R1054 HydrophobicContact CG1-CB 4.12Å; I961-R1054 HydrophobicContact CG1-CG 4.42Å; I961-R1054 HydrophobicContact CG2-CB 4.29Å; I961-R1054 HydrophobicContact CG2-CG 3.97Å; D965-R1054 HydrophobicContact CB-CG 4.47Å; D965-R1054 IonicContact OD1-CZ 3.59Å; D965-R1054 IonicContact OD1-NH1 3.8Å; D965-R1054 PolarHBondContact OD1-NH1 3.1Å; F966-R1054 HydrophobicContact CE1-CG 4.41Å; K1050-R1054 PolarHBondContact O-N 2.65Å; S1051-R1054 PolarHBondContact O-N 3.11Å; I1052-R1054 VanDerWaalsContact C-N 3.32Å; I1052-R1054 PolarHBondContact O-N 3.18Å; R1054-R1058 VanDerWaalsContact O-CB 3.28Å; R1054-R1058 WeakPolarHBondContact O-CB 3.44Å; R1054-R1058 PolarHBondContact O-N 3.1Å
1055E87.8Confident83.1Confident124 Ų12457.9 Ų57.958%0.57929%0.285SS*.Hα-helixtrans-64.6-44.9-178.5-74171.4-165.200111.7S1051 I1052 Y1059S1051-E1055 PolarHBondContact O-N 2.71Å; I1052-E1055 PolarHBondContact O-N 2.94Å; E1055-Y1059 VanDerWaalsContact O-CB 3.31Å; E1055-Y1059 WeakPolarHBondContact O-CB 3.34Å; E1055-Y1059 PolarHBondContact O-N 2.83Å
1056K87.6Confident81.2Confident67 Ų6759.6 Ų59.629%0.29130%0.303SS..Hα-helixtrans-69-37.8-179.6-68.5-79.4178.2165.60112.3G1030 L1032 Y1047 I1052 A1060G1030-K1056 PolarHBondContact O-NZ 3.47Å; L1032-K1056 HydrophobicContact CD2-CB 4.15Å; L1032-K1056 HydrophobicContact CD2-CD 3.49Å; L1032-K1056 VanDerWaalsContact CD2-CD 3.49Å; L1032-K1056 HydrophobicContact CD2-CG 4.46Å; L1032-K1056 HydrophobicContact CG-CD 4.44Å; Y1047-K1056 HydrophobicContact CE1-CB 4.4Å; Y1047-K1056 HydrophobicContact CE1-CG 4.29Å; I1052-K1056 HydrophobicContact CG2-CG 4.07Å; I1052-K1056 VanDerWaalsContact O-CB 3.22Å; I1052-K1056 WeakPolarHBondContact O-CB 3.39Å; I1052-K1056 WeakPolarHBondContact O-CG 3.48Å; I1052-K1056 PolarHBondContact O-N 3.03Å; K1056-A1060 WeakPolarHBondContact O-CB 3.46Å; K1056-A1060 PolarHBondContact O-N 2.77Å
1057L89.3Confident79.1Confident0 Ų061.8 Ų61.80%031%0.311CS..Hα-helixtrans-66.9-49.2175.4-176.164.6000111L958 F966 F974 P1033 L1053 Y1059 A1060 I1061L958-L1057 HydrophobicContact CD1-CD2 3.48Å; L958-L1057 VanDerWaalsContact CD1-CD2 3.48Å; F966-L1057 HydrophobicContact CE2-CD2 4Å; F966-L1057 HydrophobicContact CE2-CG 4.18Å; F966-L1057 HydrophobicContact CZ-CB 4.36Å; F966-L1057 HydrophobicContact CZ-CD2 3.9Å; F966-L1057 HydrophobicContact CZ-CG 3.99Å; F974-L1057 HydrophobicContact CD2-CD1 4.07Å; F974-L1057 HydrophobicContact CD2-CD2 4.44Å; F974-L1057 HydrophobicContact CE2-CD1 4.12Å; P1033-L1057 HydrophobicContact CB-CD1 4.41Å; P1033-L1057 HydrophobicContact CG-CD1 4.26Å; L1053-L1057 HydrophobicContact CD1-CB 4.48Å; L1053-L1057 WeakPolarHBondContact O-CB 3.27Å; L1053-L1057 PolarHBondContact O-N 2.83Å; L1057-Y1059 VanDerWaalsContact C-N 3.27Å; L1057-Y1059 PolarHBondContact O-N 3.08Å; L1057-A1060 PolarHBondContact O-N 3.13Å; L1057-A1060 VanDerWaalsContact O-N 3.14Å; L1057-I1061 HydrophobicContact CD1-CG2 4.24Å; L1057-I1061 WeakPolarHBondContact O-CG1 3.13Å; L1057-I1061 WeakPolarHBondContact O-CG2 3.07Å; L1057-I1061 PolarHBondContact O-N 3.08Å
1058R90.3Very high76.8Confident79 Ų7970.3 Ų70.330%0.29835%0.351SS..Hα-helixtrans-58.4-40.3177-177.9173.1-83144.2-2.9111.7D965 F966 E970 R1054 I1061 S1062D965-R1058 PolarHBondContact O-NH2 2.99Å; F966-R1058 HydrophobicContact CE1-CB 4.21Å; F966-R1058 HydrophobicContact CZ-CB 4.06Å; E970-R1058 IonicContact OE1-CZ 3.3Å; E970-R1058 IonicContact OE1-NE 3.19Å; E970-R1058 PolarHBondContact OE1-NE 2.7Å; E970-R1058 IonicContact OE1-NH2 3.87Å; E970-R1058 PolarHBondContact OE1-NH2 3.17Å; E970-R1058 IonicContact OE2-CZ 3Å; E970-R1058 IonicContact OE2-NE 2.74Å; E970-R1058 IonicContact OE2-NH2 3.45Å; E970-R1058 PolarHBondContact OE2-NH2 2.9Å; R1054-R1058 VanDerWaalsContact O-CB 3.28Å; R1054-R1058 WeakPolarHBondContact O-CB 3.44Å; R1054-R1058 PolarHBondContact O-N 3.1Å; R1058-I1061 WeakPolarHBondContact O-CG1 3.38Å; R1058-S1062 WeakPolarHBondContact O-CB 3.25Å; R1058-S1062 PolarHBondContact O-N 2.71Å; R1058-S1062 PolarHBondContact O-OG 3.02Å
1059Y87.9Confident74.5Confident120 Ų12073 Ų7347%0.47136%0.36SS..Hα-helixtrans-64.6-46.1174-173.4-91.5000112.4L1032 E1055 L1057 I1061 S1062 M1063L1032-Y1059 HydrophobicContact CD1-CD1 3.93Å; L1032-Y1059 HydrophobicContact CD1-CE1 3.94Å; L1032-Y1059 HydrophobicContact CD2-CD1 3.8Å; E1055-Y1059 VanDerWaalsContact O-CB 3.31Å; E1055-Y1059 WeakPolarHBondContact O-CB 3.34Å; E1055-Y1059 PolarHBondContact O-N 2.83Å; L1057-Y1059 VanDerWaalsContact C-N 3.27Å; L1057-Y1059 PolarHBondContact O-N 3.08Å; Y1059-I1061 PolarHBondContact O-N 2.81Å; Y1059-S1062 WeakPolarHBondContact CA-OG 3.45Å; Y1059-S1062 PolarHBondContact O-N 3.33Å; Y1059-S1062 PolarHBondContact O-OG 3.41Å; Y1059-M1063 PolarHBondContact O-N 3.37Å; Y1059-M1063 WeakPolarHBondContact O-CB 3.36Å; Y1059-M1063 HydrophobicContact CE2-CG 4.01Å; Y1059-M1063 HydrophobicContact CE2-CE 4.18Å; Y1059-M1063 HydrophobicContact CE1-CG 3.95Å; Y1059-M1063 HydrophobicContact CE1-CB 4.43Å; Y1059-M1063 HydrophobicContact CD2-CG 4.38Å; Y1059-M1063 HydrophobicContact CD1-CG 4.33Å
1060A85.5Confident71.8Confident0 Ų071.4 Ų71.40%037%0.365CS..Hα-helixtrans-64.5-41.1-178.800000113.1F977 P1033 K1056 L1057 N1064F977-A1060 HydrophobicContact CE2-CB 4.3Å; F977-A1060 HydrophobicContact CZ-CB 4.03Å; P1033-A1060 HydrophobicContact CG-CB 4.41Å; K1056-A1060 WeakPolarHBondContact O-CB 3.46Å; K1056-A1060 PolarHBondContact O-N 2.77Å; L1057-A1060 PolarHBondContact O-N 3.13Å; L1057-A1060 VanDerWaalsContact O-N 3.14Å; A1060-N1064 PolarHBondContact O-N 3.06Å
1061I88.6Confident71.1Confident8 Ų871.8 Ų71.84%0.04137%0.369CS..Hα-helixtrans-71.9-29.1179.166.6168.8000112.7F966 E970 M973 F974 F977 L1057 R1058 Y1059F966-I1061 HydrophobicContact CD2-CD1 4.14Å; F966-I1061 HydrophobicContact CE2-CD1 3.52Å; F966-I1061 HydrophobicContact CZ-CD1 4.16Å; E970-I1061 HydrophobicContact CB-CD1 4.34Å; E970-I1061 WeakPolarHBondContact O-CD1 3.3Å; M973-I1061 HydrophobicContact CB-CB 4.43Å; M973-I1061 HydrophobicContact CB-CD1 4.22Å; F974-I1061 HydrophobicContact CB-CG2 4.24Å; F974-I1061 HydrophobicContact CD2-CG2 4.24Å; F977-I1061 HydrophobicContact CB-CB 4.3Å; F977-I1061 HydrophobicContact CB-CG2 3.83Å; F977-I1061 HydrophobicContact CD1-CG2 3.95Å; F977-I1061 HydrophobicContact CG-CG2 3.87Å; L1057-I1061 HydrophobicContact CD1-CG2 4.24Å; L1057-I1061 WeakPolarHBondContact O-CG1 3.13Å; L1057-I1061 WeakPolarHBondContact O-CG2 3.07Å; L1057-I1061 PolarHBondContact O-N 3.08Å; R1058-I1061 WeakPolarHBondContact O-CG1 3.38Å; Y1059-I1061 PolarHBondContact O-N 2.81Å
1062S81.4Confident70.2Confident69 Ų6972.8 Ų72.848%0.48337%0.369SS..Hα-helixtrans-82.1-33.3179.951.80000112.9R1058 Y1059 N1064R1058-S1062 WeakPolarHBondContact O-CB 3.25Å; R1058-S1062 PolarHBondContact O-N 2.71Å; R1058-S1062 PolarHBondContact O-OG 3.02Å; Y1059-S1062 WeakPolarHBondContact CA-OG 3.45Å; Y1059-S1062 PolarHBondContact O-N 3.33Å; Y1059-S1062 PolarHBondContact O-OG 3.41Å; S1062-N1064 VanDerWaalsContact C-N 3.34Å
1063M73.9Confident69.3Low111 Ų11173.8 Ų73.855%0.54737%0.374SS..THydrogen-bonded Turntrans-88.9-1.5177.9-67-67.3166.600113.5Y1059 T1065Y1059-M1063 PolarHBondContact O-N 3.37Å; Y1059-M1063 WeakPolarHBondContact O-CB 3.36Å; Y1059-M1063 HydrophobicContact CE2-CG 4.01Å; Y1059-M1063 HydrophobicContact CE2-CE 4.18Å; Y1059-M1063 HydrophobicContact CE1-CG 3.95Å; Y1059-M1063 HydrophobicContact CE1-CB 4.43Å; Y1059-M1063 HydrophobicContact CD2-CG 4.38Å; Y1059-M1063 HydrophobicContact CD1-CG 4.33Å; M1063-T1065 HydrophobicContact CB-CG2 3.83Å; M1063-T1065 PolarHBondContact O-N 3.45Å; M1063-T1065 VanDerWaalsContact O-N 3.1Å
1064N59.4Low68.2Low101 Ų10178.1 Ų78.154%0.5440%0.396SS..THydrogen-bonded Turntrans47.740.6178.3-148.625.1000113A1060 S1062 G1066A1060-N1064 PolarHBondContact O-N 3.06Å; S1062-N1064 VanDerWaalsContact C-N 3.34Å; N1064-G1066 PolarHBondContact O-N 3.39Å
1065T52.2Low66.8Low25 Ų2577.9 Ų77.915%0.15340%0.401CS..  trans-70.887.3-173.3520000110.4M1063 L1069M1063-T1065 HydrophobicContact CB-CG2 3.83Å; M1063-T1065 PolarHBondContact O-N 3.45Å; M1063-T1065 VanDerWaalsContact O-N 3.1Å; T1065-L1069 HydrophobicContact CG2-CD1 4.01Å
1066G47.4Very low65.4Low38 Ų3874.8 Ų74.839%0.39239%0.389SS..  trans-100144.3172.200000111.7N1064 E1068N1064-G1066 PolarHBondContact O-N 3.39Å; G1066-E1068 PolarHBondContact O-N 2.89Å
1067F40.2Very low63.8Low91 Ų9175.4 Ų75.440%0.39940%0.396SS..SBendtrans45.9-35.9171.8-86.3-86.9000121.1L1069 S1070F1067-L1069 VanDerWaalsContact C-N 3.27Å; F1067-L1069 PolarHBondContact O-N 3.22Å; F1067-S1070 PolarHBondContact O-OG 3.44Å
1068E35.5Very low61.8Low190 Ų19081.2 Ų81.289%0.88843%0.427SS*.THydrogen-bonded Turntrans-75.1-9.8-170.8-65-172.4164.900114.7G1066G1066-E1068 PolarHBondContact O-N 2.89Å
1069L32.6Very low59.4Low126 Ų12681.3 Ų81.366%0.6644%0.438SS*.THydrogen-bonded Turntrans-118.712.6-177.1-71.6164.2000113.6T1065 F1067T1065-L1069 HydrophobicContact CG2-CD1 4.01Å; F1067-L1069 VanDerWaalsContact C-N 3.27Å; F1067-L1069 PolarHBondContact O-N 3.22Å
1070S28.5Very low56.8Low97 Ų9777.8 Ų77.868%0.67844%0.435SS*.  trans-93.40-178.363.20000114.7R1031 F1067R1031-S1070 PolarHBondContact NH2-OXT 3.07Å; F1067-S1070 PolarHBondContact O-OG 3.44Å

Retrieved 1,070 of 1,070 residues in 426.9 ms (Link to these results)

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