A0A2K6DCM5_MACNE Loading...

Neurotensin/neuromedin N

Neurotensin may play an endocrine or paracrine role in the regulation of fat metabolism. It causes contraction of smooth muscle.

AlphaFold DB , UniProt , Accession A0A2K6DCM5, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene NTS, Length 170 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
1M49.9Very low70.4Confident226 Ų226116.9 Ų116.9100%1.11363%0.632SS**  0-30.80-83.3171159.700114.5A3M1-A3 PolarHBondContact O-N 3.33Å
2M54.8Low71.6Confident162 Ų162118 Ų11880%0.79863%0.632SS**Hα-helixtrans-69.1-22.9-177-76.5-175.8-9300116.7
3A58.3Low72.6Confident71 Ų71118.2 Ų118.259%0.58763%0.632SS**Hα-helixtrans-74.2-33-178.700000113.5M1 K6 I7M1-A3 PolarHBondContact O-N 3.33Å; A3-K6 PolarHBondContact O-N 3.28Å; A3-I7 PolarHBondContact O-N 3.39Å
4G59.5Low73.3Confident42 Ų42117.8 Ų117.843%0.43363%0.629SS.*Hα-helixtrans-67.9-39.3179.100000113.1K6 I7 Q8G4-K6 VanDerWaalsContact C-N 3.3Å; G4-K6 PolarHBondContact O-N 3.41Å; G4-I7 PolarHBondContact O-N 3.38Å; G4-Q8 PolarHBondContact O-N 3.02Å
5M68.6Low73.9Confident126 Ų126117.5 Ų117.562%0.62163%0.627SS**Hα-helixtrans-64.2-34.5176.1-74.2164.664.800112.4L9M5-L9 WeakPolarHBondContact O-CB 3.42Å; M5-L9 PolarHBondContact O-N 3.5Å
6K74Confident74.3Confident150 Ų150112.8 Ų112.865%0.65261%0.61SS**Hα-helixtrans-70.1-39.4177.4-69.5-165.6174.4-171.10112.2A3 G4 L9 V10A3-K6 PolarHBondContact O-N 3.28Å; G4-K6 VanDerWaalsContact C-N 3.3Å; G4-K6 PolarHBondContact O-N 3.41Å; K6-L9 PolarHBondContact O-N 3.38Å; K6-V10 VanDerWaalsContact O-CG2 3.28Å; K6-V10 WeakPolarHBondContact O-CG2 3.36Å; K6-V10 PolarHBondContact O-N 2.92Å
7I81.9Confident74.3Confident115 Ų115115.1 Ų115.159%0.5961%0.613SS**Hα-helixtrans-69.2-41177.3-69157.9000110.8A3 G4 L9 V10 C11A3-I7 PolarHBondContact O-N 3.39Å; G4-I7 PolarHBondContact O-N 3.38Å; I7-L9 PolarHBondContact O-N 2.86Å; I7-V10 PolarHBondContact O-N 3.41Å; I7-C11 PolarHBondContact O-N 3.37Å
8Q79.5Confident74.1Confident136 Ų136111.3 Ų111.364%0.63660%0.597SS**Hα-helixtrans-60.3-43.4172-95.2179-55.300112.2G4 V10 C11 M12G4-Q8 PolarHBondContact O-N 3.02Å; Q8-V10 PolarHBondContact O-N 3.34Å; Q8-C11 PolarHBondContact O-N 3.48Å; Q8-M12 WeakPolarHBondContact O-CB 3.3Å; Q8-M12 WeakPolarHBondContact O-CG 3.28Å; Q8-M12 PolarHBondContact O-N 3.48Å
9L81.7Confident73.9Confident110 Ų110109 Ų10958%0.57659%0.591SS**Hα-helixtrans-62.5-41.5176.7-89.7165.2000112.4M5 K6 I7 M12 L13M5-L9 WeakPolarHBondContact O-CB 3.42Å; M5-L9 PolarHBondContact O-N 3.5Å; K6-L9 PolarHBondContact O-N 3.38Å; I7-L9 PolarHBondContact O-N 2.86Å; L9-M12 PolarHBondContact O-N 3.38Å; L9-L13 WeakPolarHBondContact O-CB 3.19Å; L9-L13 PolarHBondContact O-N 2.96Å
10V85Confident73.5Confident83 Ų83114 Ų11450%0.50360%0.6SS.*Hα-helixtrans-65.6-42.9176.4172.50000111K6 I7 Q8 M12 L13 L14K6-V10 VanDerWaalsContact O-CG2 3.28Å; K6-V10 WeakPolarHBondContact O-CG2 3.36Å; K6-V10 PolarHBondContact O-N 2.92Å; I7-V10 PolarHBondContact O-N 3.41Å; Q8-V10 PolarHBondContact O-N 3.34Å; V10-M12 PolarHBondContact O-N 3.01Å; V10-L13 PolarHBondContact O-N 2.9Å; V10-L14 HydrophobicContact CG1-CD1 3.9Å; V10-L14 HydrophobicContact CG1-CG 4.44Å; V10-L14 WeakPolarHBondContact O-CB 3.32Å; V10-L14 VanDerWaalsContact O-CG 3.3Å; V10-L14 WeakPolarHBondContact O-CG 3.38Å; V10-L14 PolarHBondContact O-N 2.9Å
11C81.3Confident73Confident65 Ų65112.1 Ų112.144%0.43960%0.597SS.*Hα-helixtrans-62.9-40.9174.3-78.70000112.5I7 Q8 L14 L15I7-C11 PolarHBondContact O-N 3.37Å; Q8-C11 PolarHBondContact O-N 3.48Å; C11-L14 PolarHBondContact O-N 3.32Å; C11-L15 WeakPolarHBondContact O-CB 3.29Å; C11-L15 VanDerWaalsContact O-CG 3.29Å; C11-L15 WeakPolarHBondContact O-CG 3.44Å; C11-L15 PolarHBondContact O-N 2.99Å
12M85.2Confident73.5Confident130 Ų130107.4 Ų107.464%0.6458%0.576SS**Hα-helixtrans-67.3-38.3177.3-68.9-68.4-88.400111.8Q8 L9 V10 A16Q8-M12 WeakPolarHBondContact O-CB 3.3Å; Q8-M12 WeakPolarHBondContact O-CG 3.28Å; Q8-M12 PolarHBondContact O-N 3.48Å; L9-M12 PolarHBondContact O-N 3.38Å; V10-M12 PolarHBondContact O-N 3.01Å; M12-A16 VanDerWaalsContact O-CB 3.32Å; M12-A16 WeakPolarHBondContact O-CB 3.43Å; M12-A16 PolarHBondContact O-N 3.01Å
13L84.7Confident73.5Confident121 Ų121103.7 Ų103.763%0.63457%0.565SS**Hα-helixtrans-65.5-42.9173.5-98149.9000112.2L9 V10 A16 F17L9-L13 WeakPolarHBondContact O-CB 3.19Å; L9-L13 PolarHBondContact O-N 2.96Å; V10-L13 PolarHBondContact O-N 2.9Å; L13-A16 PolarHBondContact O-N 3.12Å; L13-F17 WeakPolarHBondContact O-CB 3.28Å; L13-F17 PolarHBondContact O-N 2.95Å
14L81.9Confident73.6Confident112 Ų112103.1 Ų103.159%0.58656%0.557SS**Hα-helixtrans-66.1-39.8177-74169.3000111.9V10 C11 F17 S18V10-L14 HydrophobicContact CG1-CD1 3.9Å; V10-L14 HydrophobicContact CG1-CG 4.44Å; V10-L14 WeakPolarHBondContact O-CB 3.32Å; V10-L14 VanDerWaalsContact O-CG 3.3Å; V10-L14 WeakPolarHBondContact O-CG 3.38Å; V10-L14 PolarHBondContact O-N 2.9Å; C11-L14 PolarHBondContact O-N 3.32Å; L14-F17 PolarHBondContact O-N 3.01Å; L14-S18 WeakPolarHBondContact O-CB 3.49Å; L14-S18 PolarHBondContact O-N 2.92Å; L14-S18 PolarHBondContact O-OG 2.94Å
15L82.3Confident73.7Confident113 Ų113105.9 Ų105.959%0.59256%0.561SS**Hα-helixtrans-67.3-37.2175-76.4168.4000112.6C11 S18 S19C11-L15 WeakPolarHBondContact O-CB 3.29Å; C11-L15 VanDerWaalsContact O-CG 3.29Å; C11-L15 WeakPolarHBondContact O-CG 3.44Å; C11-L15 PolarHBondContact O-N 2.99Å; L15-S18 PolarHBondContact O-OG 2.9Å; L15-S18 VanDerWaalsContact O-OG 3.12Å; L15-S19 VanDerWaalsContact O-CB 3.32Å; L15-S19 WeakPolarHBondContact O-CB 3.41Å; L15-S19 PolarHBondContact O-N 3.49Å; L15-S19 PolarHBondContact O-OG 3.47Å; L15-S19 VanDerWaalsContact O-OG 3.13Å
16A79.6Confident73.5Confident43 Ų43103.2 Ų103.236%0.35556%0.555SS.*Hα-helixtrans-70.3-35.6175.100000112.1M12 L13 S19 W20M12-A16 VanDerWaalsContact O-CB 3.32Å; M12-A16 WeakPolarHBondContact O-CB 3.43Å; M12-A16 PolarHBondContact O-N 3.01Å; L13-A16 PolarHBondContact O-N 3.12Å; A16-S19 WeakPolarHBondContact CA-OG 3.39Å; A16-S19 PolarHBondContact O-OG 3.18Å; A16-W20 PolarHBondContact O-N 3.42Å
17F74.9Confident73.2Confident151 Ų151100.6 Ų100.666%0.66255%0.545SS*.Hα-helixtrans-72.1-40.8177.9-166.8-97.8000111.9L13 L14 S21L13-F17 WeakPolarHBondContact O-CB 3.28Å; L13-F17 PolarHBondContact O-N 2.95Å; L14-F17 PolarHBondContact O-N 3.01Å; F17-S21 WeakPolarHBondContact O-CB 3.32Å; F17-S21 PolarHBondContact O-N 3.42Å
18S71.4Confident72.8Confident48 Ų48100.8 Ų100.834%0.33654%0.543SS..Hα-helixtrans-68.5-37.317564.20000112L14 L15 S21 L22L14-S18 WeakPolarHBondContact O-CB 3.49Å; L14-S18 PolarHBondContact O-N 2.92Å; L14-S18 PolarHBondContact O-OG 2.94Å; L15-S18 PolarHBondContact O-OG 2.9Å; L15-S18 VanDerWaalsContact O-OG 3.12Å; S18-S21 PolarHBondContact O-N 3.13Å; S18-L22 VanDerWaalsContact O-CB 3.28Å; S18-L22 WeakPolarHBondContact O-CB 3.32Å; S18-L22 WeakPolarHBondContact O-CD1 3.38Å; S18-L22 WeakPolarHBondContact O-CG 3.38Å; S18-L22 PolarHBondContact O-N 3.4Å
19S70.2Confident72.3Confident67 Ų6799.9 Ų99.947%0.46954%0.539SS..Hα-helixtrans-67.1-39.8175.967.60000112.3L15 A16 C23L15-S19 VanDerWaalsContact O-CB 3.32Å; L15-S19 WeakPolarHBondContact O-CB 3.41Å; L15-S19 PolarHBondContact O-N 3.49Å; L15-S19 PolarHBondContact O-OG 3.47Å; L15-S19 VanDerWaalsContact O-OG 3.13Å; A16-S19 WeakPolarHBondContact CA-OG 3.39Å; A16-S19 PolarHBondContact O-OG 3.18Å; S19-C23 VanDerWaalsContact O-CB 3.23Å; S19-C23 WeakPolarHBondContact O-CB 3.44Å; S19-C23 PolarHBondContact O-N 3.37Å; S19-C23 VanDerWaalsContact O-N 3.11Å
20W66.4Low71.7Confident208 Ų20897.8 Ų97.879%0.78853%0.527SS*.Hα-helixtrans-66.7-42.2173.6-86.3-23.5000113.3A16 S24A16-W20 PolarHBondContact O-N 3.42Å; W20-S24 PolarHBondContact O-N 3.11Å
21S62.3Low71.3Confident76 Ų7698.6 Ų98.653%0.53152%0.524SS..Hα-helixtrans-68.6-38.3-179.5-176.70000112.9F17 S18F17-S21 WeakPolarHBondContact O-CB 3.32Å; F17-S21 PolarHBondContact O-N 3.42Å; S18-S21 PolarHBondContact O-N 3.13Å
22L60Low71Confident126 Ų12698.1 Ų98.166%0.6653%0.525SS*.Hα-helixtrans-81.3-30.7-177.4-74.7159.4000112.8S18S18-L22 VanDerWaalsContact O-CB 3.28Å; S18-L22 WeakPolarHBondContact O-CB 3.32Å; S18-L22 WeakPolarHBondContact O-CD1 3.38Å; S18-L22 WeakPolarHBondContact O-CG 3.38Å; S18-L22 PolarHBondContact O-N 3.4Å
23C55.5Low70.3Confident85 Ų8597.6 Ų97.657%0.57452%0.524SS*.Hα-helixtrans-74.5-37.4179.8-135.20000112S19 S26 E27S19-C23 VanDerWaalsContact O-CB 3.23Å; S19-C23 WeakPolarHBondContact O-CB 3.44Å; S19-C23 PolarHBondContact O-N 3.37Å; S19-C23 VanDerWaalsContact O-N 3.11Å; C23-S26 PolarHBondContact O-N 3.23Å; C23-S26 PolarHBondContact O-OG 3.05Å; C23-E27 PolarHBondContact O-N 2.99Å
24S60Low69.7Low59 Ų5994 Ų9441%0.41350%0.504SS..Hα-helixtrans-65-42-177.8-152.70000112.4W20 S26 E27 E28W20-S24 PolarHBondContact O-N 3.11Å; S24-S26 PolarHBondContact O-N 2.93Å; S24-E27 PolarHBondContact O-N 3.04Å; S24-E28 WeakPolarHBondContact O-CG 3.23Å; S24-E28 PolarHBondContact O-N 3.31Å; S24-E28 VanDerWaalsContact O-N 3.12Å
25D62.4Low69.5Low100 Ų10091 Ų9154%0.53550%0.495SS..Hα-helixtrans-63.7-42.4179.2-163.643.6000111.4E27 E28 E29D25-E27 VanDerWaalsContact C-N 3.35Å; D25-E27 PolarHBondContact O-N 3.26Å; D25-E28 PolarHBondContact O-N 3.01Å; D25-E29 WeakPolarHBondContact O-CG 3.4Å; D25-E29 PolarHBondContact O-N 3.33Å
26S63Low69.1Low70 Ų7090.5 Ų90.549%0.4949%0.493SS..Hα-helixtrans-65.8-33.917876.20000113.8C23 S24 M30C23-S26 PolarHBondContact O-N 3.23Å; C23-S26 PolarHBondContact O-OG 3.05Å; S24-S26 PolarHBondContact O-N 2.93Å; S26-M30 WeakPolarHBondContact O-CB 3.34Å; S26-M30 PolarHBondContact O-N 3.33Å
27E69Low68.8Low95 Ų9592 Ų9244%0.44450%0.495SS..Hα-helixtrans-73.8-36.6178.2-170.3-175.4155.400111.3C23 S24 D25 M30 K31C23-E27 PolarHBondContact O-N 2.99Å; S24-E27 PolarHBondContact O-N 3.04Å; D25-E27 VanDerWaalsContact C-N 3.35Å; D25-E27 PolarHBondContact O-N 3.26Å; E27-M30 HydrophobicContact CG-CE 4.33Å; E27-K31 VanDerWaalsContact O-CG 3.32Å; E27-K31 WeakPolarHBondContact O-CG 3.28Å; E27-K31 PolarHBondContact O-N 2.85Å; E27-K31 WeakPolarHBondContact OE1-CE 3.27Å; E27-K31 IonicContact OE1-NZ 2.67Å; E27-K31 PolarHBondContact OE1-NZ 2.98Å
28E73.2Confident68.6Low118 Ų11886.7 Ų86.755%0.55147%0.473SS*.Hα-helixtrans-69.9-45.9178.1-73.7175.3-157.300112S24 D25 M30 K31 A32S24-E28 WeakPolarHBondContact O-CG 3.23Å; S24-E28 PolarHBondContact O-N 3.31Å; S24-E28 VanDerWaalsContact O-N 3.12Å; D25-E28 PolarHBondContact O-N 3.01Å; E28-M30 VanDerWaalsContact C-N 3.29Å; E28-M30 PolarHBondContact O-N 3.17Å; E28-K31 PolarHBondContact O-N 3.4Å; E28-K31 VanDerWaalsContact O-N 3.17Å; E28-A32 PolarHBondContact O-N 2.9Å
29E69Low68.7Low117 Ų11787.8 Ų87.855%0.54748%0.478SS..Hα-helixtrans-59.6-40173.6-73.1-69.5141.500111.6D25 A32 L33D25-E29 WeakPolarHBondContact O-CG 3.4Å; D25-E29 PolarHBondContact O-N 3.33Å; E29-A32 PolarHBondContact O-N 3.12Å; E29-L33 WeakPolarHBondContact O-CG 3.39Å; E29-L33 PolarHBondContact O-N 3.4Å
30M69.6Low68.4Low66 Ų6687.1 Ų87.133%0.32547%0.474SS..Hα-helixtrans-64.8-42175.1-179-178.262.100112.1S26 E27 E28 A32 L33 E34 Q106S26-M30 WeakPolarHBondContact O-CB 3.34Å; S26-M30 PolarHBondContact O-N 3.33Å; E27-M30 HydrophobicContact CG-CE 4.33Å; E28-M30 VanDerWaalsContact C-N 3.29Å; E28-M30 PolarHBondContact O-N 3.17Å; M30-A32 VanDerWaalsContact C-N 3.3Å; M30-A32 PolarHBondContact O-N 2.88Å; M30-L33 PolarHBondContact O-N 2.93Å; M30-E34 WeakPolarHBondContact O-CB 3.5Å; M30-E34 PolarHBondContact O-N 3.48Å; M30-Q106 HydrophobicContact SD-CG 4.14Å; M30-Q106 PolarHBondContact SD-NE2 3.21Å; M30-Q106 VanDerWaalsContact SD-NE2 3.42Å
31K75.4Confident68.3Low100 Ų10077.6 Ų77.644%0.43544%0.438SS..Hα-helixtrans-65.1-36.2175.8-76.7172.9-175.2163.30111.6E27 E28 E34 A35E27-K31 VanDerWaalsContact O-CG 3.32Å; E27-K31 WeakPolarHBondContact O-CG 3.28Å; E27-K31 PolarHBondContact O-N 2.85Å; E27-K31 WeakPolarHBondContact OE1-CE 3.27Å; E27-K31 IonicContact OE1-NZ 2.67Å; E27-K31 PolarHBondContact OE1-NZ 2.98Å; E28-K31 PolarHBondContact O-N 3.4Å; E28-K31 VanDerWaalsContact O-N 3.17Å; K31-E34 PolarHBondContact O-N 3.18Å; K31-A35 WeakPolarHBondContact O-CB 3.3Å; K31-A35 PolarHBondContact O-N 3.37Å
32A75Confident68.3Low56 Ų5680 Ų8046%0.46344%0.44SS..Hα-helixtrans-65.8-43.8174.900000111.4E28 E29 M30 A35 D36E28-A32 PolarHBondContact O-N 2.9Å; E29-A32 PolarHBondContact O-N 3.12Å; M30-A32 VanDerWaalsContact C-N 3.3Å; M30-A32 PolarHBondContact O-N 2.88Å; A32-A35 PolarHBondContact O-N 2.96Å; A32-D36 WeakPolarHBondContact O-CB 3.22Å; A32-D36 PolarHBondContact O-N 3.17Å
33L71.4Confident68.3Low119 Ų11979.1 Ų79.162%0.62344%0.44SS*.Hα-helixtrans-64.8-39.1174.4-73.4170.2000112.7E29 M30 A35 D36 L37E29-L33 WeakPolarHBondContact O-CG 3.39Å; E29-L33 PolarHBondContact O-N 3.4Å; M30-L33 PolarHBondContact O-N 2.93Å; L33-A35 VanDerWaalsContact C-N 3.35Å; L33-D36 PolarHBondContact O-N 2.83Å; L33-L37 VanDerWaalsContact O-CB 3.26Å; L33-L37 WeakPolarHBondContact O-CB 3.4Å; L33-L37 PolarHBondContact O-N 2.83Å
34E72.4Confident68.3Low46 Ų4676.8 Ų76.822%0.21543%0.425CS..Hα-helixtrans-60.6-46.1172.8-175.2-178.6165.100110.3M30 K31 L37 L38 K109M30-E34 WeakPolarHBondContact O-CB 3.5Å; M30-E34 PolarHBondContact O-N 3.48Å; K31-E34 PolarHBondContact O-N 3.18Å; E34-L37 PolarHBondContact O-N 3.4Å; E34-L38 HydrophobicContact CG-CD1 4.18Å; E34-L38 WeakPolarHBondContact O-CB 3.29Å; E34-L38 WeakPolarHBondContact O-CG 3.36Å; E34-L38 PolarHBondContact O-N 2.81Å; E34-K109 IonicContact OE1-NZ 3.78Å; E34-K109 IonicContact OE2-NZ 2.76Å; E34-K109 PolarHBondContact OE2-NZ 2.96Å
35A77.4Confident67.8Low48 Ų4883.8 Ų83.840%0.39745%0.448SS..Hα-helixtrans-66.3-38.8177.500000112.5K31 A32 L33 L38 T39K31-A35 WeakPolarHBondContact O-CB 3.3Å; K31-A35 PolarHBondContact O-N 3.37Å; A32-A35 PolarHBondContact O-N 2.96Å; L33-A35 VanDerWaalsContact C-N 3.35Å; A35-L38 PolarHBondContact O-N 3.33Å; A35-T39 VanDerWaalsContact O-CB 3.32Å; A35-T39 WeakPolarHBondContact O-CB 3.32Å; A35-T39 WeakPolarHBondContact O-CG2 3.22Å; A35-T39 PolarHBondContact O-N 2.94Å; A35-T39 PolarHBondContact O-OG1 2.84Å
36D73.9Confident67.4Low103 Ų10383.1 Ų83.155%0.55144%0.443SS*.Hα-helixtrans-69.6-39.1177.8-166.247.8000111.7A32 L33 T39 S40A32-D36 WeakPolarHBondContact O-CB 3.22Å; A32-D36 PolarHBondContact O-N 3.17Å; L33-D36 PolarHBondContact O-N 2.83Å; D36-T39 VanDerWaalsContact CA-OG1 3.29Å; D36-T39 WeakPolarHBondContact CA-OG1 3.43Å; D36-T39 PolarHBondContact O-N 3.35Å; D36-T39 PolarHBondContact O-OG1 2.9Å; D36-T39 VanDerWaalsContact O-OG1 3.06Å; D36-S40 WeakPolarHBondContact O-CB 3.44Å; D36-S40 PolarHBondContact O-N 3.46Å; D36-S40 PolarHBondContact O-OG 2.86Å
37L72.5Confident66.7Low74 Ų7483.1 Ų83.139%0.38744%0.444SS..Hα-helixtrans-62.6-49.7171-170.9115.5000110.3L33 E34 T39 S40 M41L33-L37 VanDerWaalsContact O-CB 3.26Å; L33-L37 WeakPolarHBondContact O-CB 3.4Å; L33-L37 PolarHBondContact O-N 2.83Å; E34-L37 PolarHBondContact O-N 3.4Å; L37-T39 PolarHBondContact O-N 3.5Å; L37-S40 WeakPolarHBondContact CA-OG 3.21Å; L37-S40 PolarHBondContact O-N 3.48Å; L37-S40 PolarHBondContact O-OG 2.8Å; L37-M41 HydrophobicContact CD2-CE 3.32Å; L37-M41 HydrophobicContact CD2-SD 4.28Å; L37-M41 HydrophobicContact CG-CE 3.89Å; L37-M41 WeakPolarHBondContact O-CB 3.26Å; L37-M41 WeakPolarHBondContact O-CE 3.39Å; L37-M41 WeakPolarHBondContact O-CG 3.46Å; L37-M41 PolarHBondContact O-N 2.87Å
38L71.1Confident66Low40 Ų4088.8 Ų88.821%0.20947%0.467CS..Hα-helixtrans-60-44.5177.1-71.2173.2000112.3E34 A35 M41 H42 A115 W119E34-L38 HydrophobicContact CG-CD1 4.18Å; E34-L38 WeakPolarHBondContact O-CB 3.29Å; E34-L38 WeakPolarHBondContact O-CG 3.36Å; E34-L38 PolarHBondContact O-N 2.81Å; A35-L38 PolarHBondContact O-N 3.33Å; L38-M41 HydrophobicContact CD2-CE 3.65Å; L38-M41 HydrophobicContact CG-CE 4.3Å; L38-M41 WeakPolarHBondContact O-CB 3.45Å; L38-M41 PolarHBondContact O-N 3.42Å; L38-H42 PolarHBondContact O-CD2 3.38Å; L38-H42 PolarHBondContact O-N 3.27Å; L38-A115 HydrophobicContact CD2-CB 3.68Å; L38-W119 HydrophobicContact CD2-CH2 4.37Å
39T72.4Confident65.1Low70 Ų7087.5 Ų87.543%0.42948%0.476SS..Hα-helixtrans-70.3-38.8179.855.40000112.3A35 D36 L37 M41 H42 T43A35-T39 VanDerWaalsContact O-CB 3.32Å; A35-T39 WeakPolarHBondContact O-CB 3.32Å; A35-T39 WeakPolarHBondContact O-CG2 3.22Å; A35-T39 PolarHBondContact O-N 2.94Å; A35-T39 PolarHBondContact O-OG1 2.84Å; D36-T39 VanDerWaalsContact CA-OG1 3.29Å; D36-T39 WeakPolarHBondContact CA-OG1 3.43Å; D36-T39 PolarHBondContact O-N 3.35Å; D36-T39 PolarHBondContact O-OG1 2.9Å; D36-T39 VanDerWaalsContact O-OG1 3.06Å; L37-T39 PolarHBondContact O-N 3.5Å; T39-M41 VanDerWaalsContact C-N 3.28Å; T39-M41 PolarHBondContact O-N 3.48Å; T39-H42 PolarHBondContact O-N 3.01Å; T39-T43 WeakPolarHBondContact O-CB 3.31Å; T39-T43 VanDerWaalsContact O-CG2 3.26Å; T39-T43 WeakPolarHBondContact O-CG2 3.49Å; T39-T43 PolarHBondContact O-N 2.67Å; T39-T43 PolarHBondContact O-OG1 3.33Å
40S64.9Low64.4Low54 Ų5488.4 Ų88.438%0.37848%0.48SS..Hα-helixtrans-63.3-35.1171.764.70000111.6D36 L37 T43 S44D36-S40 WeakPolarHBondContact O-CB 3.44Å; D36-S40 PolarHBondContact O-N 3.46Å; D36-S40 PolarHBondContact O-OG 2.86Å; L37-S40 WeakPolarHBondContact CA-OG 3.21Å; L37-S40 PolarHBondContact O-N 3.48Å; L37-S40 PolarHBondContact O-OG 2.8Å; S40-T43 WeakPolarHBondContact CA-OG1 3.4Å; S40-T43 PolarHBondContact O-OG1 2.89Å; S40-S44 VanDerWaalsContact O-CB 3.22Å; S40-S44 WeakPolarHBondContact O-CB 3.49Å; S40-S44 PolarHBondContact O-N 2.91Å
41M64.5Low63.9Low7 Ų787.8 Ų87.83%0.03448%0.48CS..Hα-helixtrans-66.3-43.1172.1-68.6-169.3-76.700112.4L37 L38 T39 S44 W54 W119L37-M41 HydrophobicContact CD2-CE 3.32Å; L37-M41 HydrophobicContact CD2-SD 4.28Å; L37-M41 HydrophobicContact CG-CE 3.89Å; L37-M41 WeakPolarHBondContact O-CB 3.26Å; L37-M41 WeakPolarHBondContact O-CE 3.39Å; L37-M41 WeakPolarHBondContact O-CG 3.46Å; L37-M41 PolarHBondContact O-N 2.87Å; L38-M41 HydrophobicContact CD2-CE 3.65Å; L38-M41 HydrophobicContact CG-CE 4.3Å; L38-M41 WeakPolarHBondContact O-CB 3.45Å; L38-M41 PolarHBondContact O-N 3.42Å; T39-M41 VanDerWaalsContact C-N 3.28Å; T39-M41 PolarHBondContact O-N 3.48Å; M41-S44 PolarHBondContact O-OG 3.08Å; M41-W54 HydrophobicContact CB-CH2 4.02Å; M41-W54 HydrophobicContact CG-CH2 3.23Å; M41-W54 HydrophobicContact CG-CZ2 3.88Å; M41-W54 HydrophobicContact CG-CZ3 3.82Å; M41-W54 HydrophobicContact SD-CH2 3.34Å; M41-W54 WeakPolarHBondContact SD-CH2 3.14Å; M41-W54 HydrophobicContact SD-CZ2 4.49Å; M41-W54 HydrophobicContact SD-CZ3 3.37Å; M41-W54 WeakPolarHBondContact SD-CZ3 3.32Å; M41-W119 HydrophobicContact CB-CH2 3.35Å; M41-W119 HydrophobicContact CB-CZ2 3.67Å; M41-W119 HydrophobicContact CB-CZ3 4.18Å; M41-W119 HydrophobicContact CE-CH2 3.42Å; M41-W119 VanDerWaalsContact CE-CH2 3.42Å; M41-W119 HydrophobicContact CE-CZ3 3.48Å; M41-W119 VanDerWaalsContact CE-CZ3 3.48Å; M41-W119 HydrophobicContact CG-CH2 3.93Å; M41-W119 HydrophobicContact CG-CZ3 4.32Å; M41-W119 HydrophobicContact SD-CE3 4.21Å; M41-W119 HydrophobicContact SD-CH2 3.37Å; M41-W119 WeakPolarHBondContact SD-CH2 3.22Å; M41-W119 HydrophobicContact SD-CZ2 4.44Å; M41-W119 HydrophobicContact SD-CZ3 3.19Å; M41-W119 WeakPolarHBondContact SD-CZ3 3.48Å
42H61.3Low63.5Low127 Ų12784.3 Ų84.359%0.58847%0.468SS*.Hα-helixtrans-68.8-35176.8-77.2-66.2000113.5L38 T39L38-H42 PolarHBondContact O-CD2 3.38Å; L38-H42 PolarHBondContact O-N 3.27Å; T39-H42 PolarHBondContact O-N 3.01Å
43T59.4Low63.1Low108 Ų10885.8 Ų85.866%0.66348%0.475SS*.Hα-helixtrans-90.5-15.4-178.259.40000113.1T39 S40 K45T39-T43 WeakPolarHBondContact O-CB 3.31Å; T39-T43 VanDerWaalsContact O-CG2 3.26Å; T39-T43 WeakPolarHBondContact O-CG2 3.49Å; T39-T43 PolarHBondContact O-N 2.67Å; T39-T43 PolarHBondContact O-OG1 3.33Å; S40-T43 WeakPolarHBondContact CA-OG1 3.4Å; S40-T43 PolarHBondContact O-OG1 2.89Å; T43-K45 VanDerWaalsContact C-N 3.35Å; T43-K45 PolarHBondContact O-N 2.91Å
44S57.1Low63.1Low36 Ų3684.6 Ų84.625%0.25246%0.462SS..SBendtrans-58.2102.6168.3730000107.8S40 M41 I46S40-S44 VanDerWaalsContact O-CB 3.22Å; S40-S44 WeakPolarHBondContact O-CB 3.49Å; S40-S44 PolarHBondContact O-N 2.91Å; M41-S44 PolarHBondContact O-OG 3.08Å; S44-I46 VanDerWaalsContact C-N 3.26Å; S44-I46 PolarHBondContact O-N 3.5Å
45K48.6Very low63.2Low205 Ų20583.5 Ų83.589%0.89146%0.456SS*.  trans-63.394.1178.7-154.5176.9-1701750105.9T43 S47T43-K45 VanDerWaalsContact C-N 3.35Å; T43-K45 PolarHBondContact O-N 2.91Å; K45-S47 VanDerWaalsContact C-N 3.31Å; K45-S47 PolarHBondContact O-N 3.38Å
46I54.8Low62.9Low86 Ų8685 Ų8544%0.44146%0.456SS..  trans-59.6100.1178.7-72.4144.4000106.1S44 K48 K55S44-I46 VanDerWaalsContact C-N 3.26Å; S44-I46 PolarHBondContact O-N 3.5Å; I46-K48 PolarHBondContact O-N 3.3Å; I46-K55 VanDerWaalsContact CD1-NZ 3.28Å
47S48.3Very low63.2Low71 Ų7184.2 Ų84.250%0.49746%0.456SS..  trans-54.7112160.1150.20000105.3K45 A49 H50K45-S47 VanDerWaalsContact C-N 3.31Å; K45-S47 PolarHBondContact O-N 3.38Å; S47-A49 PolarHBondContact O-N 2.99Å; S47-A49 PolarHBondContact OG-N 2.75Å; S47-H50 PolarHBondContact O-N 3.13Å
48K54Low63.6Low213 Ų21382.3 Ų82.393%0.92645%0.445SS*.THydrogen-bonded Turntrans-54.7-9.3177.5-69-174173.9-169.40113.4I46I46-K48 PolarHBondContact O-N 3.3Å
49A53.5Low63.9Low91 Ų9181.8 Ų81.875%0.75244%0.443SS*.THydrogen-bonded Turntrans-92.1-1618000000114.7S47S47-A49 PolarHBondContact O-N 2.99Å; S47-A49 PolarHBondContact OG-N 2.75Å
50H55.3Low64.3Low136 Ų13683.2 Ų83.263%0.6345%0.448SS*.  trans-153.3115.7-177.7-161.8-81.7000111.5S47 P52S47-H50 PolarHBondContact O-N 3.13Å; H50-P52 WeakPolarHBondContact O-CD 3.44Å
51V59.3Low65.2Low53 Ų5383.2 Ų83.232%0.32145%0.445SS..  trans-60.1126.7168.5179.60000107.6S53 K55V51-S53 PolarHBondContact O-N 2.79Å; V51-K55 HydrophobicContact CG1-CB 3.98Å; V51-K55 HydrophobicContact CG1-CD 4.16Å
52P66.3Low66.1Low27 Ų2783 Ų8318%0.17545%0.445CS..  trans-55.8131.7177.6-2531.9000110.9H50 W54 K55H50-P52 WeakPolarHBondContact O-CD 3.44Å; P52-W54 VanDerWaalsContact CB-CD1 3.46Å; P52-W54 HydrophobicContact CB-CD2 4.41Å; P52-W54 HydrophobicContact CB-CG 4.22Å; P52-W54 HydrophobicContact CB-CZ2 4.37Å; P52-W54 PolarHBondContact O-N 3.47Å; P52-W54 VanDerWaalsContact O-N 3.14Å; P52-K55 HydrophobicContact CB-CG 4.18Å; P52-K55 HydrophobicContact CG-CD 4.21Å; P52-K55 HydrophobicContact CG-CG 4.38Å; P52-K55 VanDerWaalsContact O-CB 3.3Å; P52-K55 WeakPolarHBondContact O-CB 3.49Å; P52-K55 PolarHBondContact O-N 2.82Å
53S66.5Low67Low87 Ų8779.8 Ų79.861%0.60844%0.436SS*.Hα-helixtrans-56.2-34-175.150.30000113.1V51 K55 M56 T57V51-S53 PolarHBondContact O-N 2.79Å; S53-K55 PolarHBondContact O-N 3.43Å; S53-M56 PolarHBondContact O-N 2.8Å; S53-T57 PolarHBondContact O-N 2.86Å; S53-T57 PolarHBondContact O-OG1 3.29Å
54W71.4Confident68.1Low94 Ų9479 Ų7936%0.35643%0.428SS..Hα-helixtrans-62.3-27.8175.967.8-102.2000113M41 P52 T57 L58M41-W54 HydrophobicContact CB-CH2 4.02Å; M41-W54 HydrophobicContact CG-CH2 3.23Å; M41-W54 HydrophobicContact CG-CZ2 3.88Å; M41-W54 HydrophobicContact CG-CZ3 3.82Å; M41-W54 HydrophobicContact SD-CH2 3.34Å; M41-W54 WeakPolarHBondContact SD-CH2 3.14Å; M41-W54 HydrophobicContact SD-CZ2 4.49Å; M41-W54 HydrophobicContact SD-CZ3 3.37Å; M41-W54 WeakPolarHBondContact SD-CZ3 3.32Å; P52-W54 VanDerWaalsContact CB-CD1 3.46Å; P52-W54 HydrophobicContact CB-CD2 4.41Å; P52-W54 HydrophobicContact CB-CG 4.22Å; P52-W54 HydrophobicContact CB-CZ2 4.37Å; P52-W54 PolarHBondContact O-N 3.47Å; P52-W54 VanDerWaalsContact O-N 3.14Å; W54-T57 WeakPolarHBondContact O-CB 3.26Å; W54-T57 PolarHBondContact O-N 2.79Å; W54-L58 HydrophobicContact CE3-CD1 4.15Å; W54-L58 HydrophobicContact CZ3-CD1 4.03Å; W54-L58 WeakPolarHBondContact O-CB 3.35Å; W54-L58 PolarHBondContact O-N 3.23Å
55K73.6Confident69.4Low23 Ų2377.6 Ų77.610%0.142%0.417CS..Hα-helixtrans-66.3-43.9177.9-69.8-167.9-176.1-174.50111.5I46 V51 P52 S53 T57 L58 L59I46-K55 VanDerWaalsContact CD1-NZ 3.28Å; V51-K55 HydrophobicContact CG1-CB 3.98Å; V51-K55 HydrophobicContact CG1-CD 4.16Å; P52-K55 HydrophobicContact CB-CG 4.18Å; P52-K55 HydrophobicContact CG-CD 4.21Å; P52-K55 HydrophobicContact CG-CG 4.38Å; P52-K55 VanDerWaalsContact O-CB 3.3Å; P52-K55 WeakPolarHBondContact O-CB 3.49Å; P52-K55 PolarHBondContact O-N 2.82Å; S53-K55 PolarHBondContact O-N 3.43Å; K55-T57 VanDerWaalsContact C-N 3.29Å; K55-T57 PolarHBondContact O-N 2.85Å; K55-L58 PolarHBondContact O-N 2.94Å; K55-L59 PolarHBondContact O-N 3.06Å
56M72.2Confident70.8Confident80 Ų8071 Ų7139%0.39439%0.392SS..Hα-helixtrans-62.7-41.2175.5-66.3-56.1-6200110.9S53 L58 N60 Q123S53-M56 PolarHBondContact O-N 2.8Å; M56-L58 VanDerWaalsContact C-N 3.34Å; M56-L58 PolarHBondContact O-N 3.42Å; M56-N60 WeakPolarHBondContact O-CB 3.22Å; M56-N60 PolarHBondContact O-N 3.42Å; M56-N60 PolarHBondContact O-ND2 3.48Å; M56-N60 VanDerWaalsContact O-ND2 3.07Å; M56-Q123 PolarHBondContact SD-NE2 3.42Å
57T80.1Confident71.7Confident87 Ų8772.1 Ų72.153%0.53440%0.399SS..Hα-helixtrans-61.2-43.2174.2-50.30000111.5S53 W54 K55 N60 V61S53-T57 PolarHBondContact O-N 2.86Å; S53-T57 PolarHBondContact O-OG1 3.29Å; W54-T57 WeakPolarHBondContact O-CB 3.26Å; W54-T57 PolarHBondContact O-N 2.79Å; K55-T57 VanDerWaalsContact C-N 3.29Å; K55-T57 PolarHBondContact O-N 2.85Å; T57-N60 PolarHBondContact O-N 2.83Å; T57-V61 VanDerWaalsContact O-CG2 3.28Å; T57-V61 WeakPolarHBondContact O-CG2 3.21Å; T57-V61 PolarHBondContact O-N 3.43Å
58L80.4Confident72.7Confident33 Ų3372.5 Ų72.517%0.17340%0.395CS..Hα-helixtrans-67.3-42.3-179.5-148.1157.1000111.7W54 K55 M56 N60 V61 C62 F116W54-L58 HydrophobicContact CE3-CD1 4.15Å; W54-L58 HydrophobicContact CZ3-CD1 4.03Å; W54-L58 WeakPolarHBondContact O-CB 3.35Å; W54-L58 PolarHBondContact O-N 3.23Å; K55-L58 PolarHBondContact O-N 2.94Å; M56-L58 VanDerWaalsContact C-N 3.34Å; M56-L58 PolarHBondContact O-N 3.42Å; L58-N60 VanDerWaalsContact C-N 3.35Å; L58-N60 PolarHBondContact O-N 2.93Å; L58-V61 PolarHBondContact O-N 3.14Å; L58-C62 WeakPolarHBondContact CD2-SG 3.44Å; L58-C62 WeakPolarHBondContact O-CB 3.37Å; L58-C62 PolarHBondContact O-N 2.87Å; L58-C62 PolarHBondContact O-SG 3.2Å; L58-C62 VanDerWaalsContact O-SG 3.37Å; L58-F116 HydrophobicContact CB-CE2 4.27Å; L58-F116 HydrophobicContact CD2-CD2 3.74Å; L58-F116 HydrophobicContact CD2-CE2 3.17Å; L58-F116 HydrophobicContact CD2-CZ 3.6Å; L58-F116 HydrophobicContact CG-CE2 4.19Å
59L78.1Confident73.2Confident30 Ų3066.2 Ų66.216%0.15737%0.371CS..Hα-helixtrans-59.3-43.3172.5-76.3164.9000112.5K55 V61 C62 S63 F116K55-L59 PolarHBondContact O-N 3.06Å; L59-V61 VanDerWaalsContact C-N 3.34Å; L59-V61 PolarHBondContact O-N 3.3Å; L59-C62 PolarHBondContact O-N 3.3Å; L59-S63 WeakPolarHBondContact O-CB 3.46Å; L59-S63 PolarHBondContact O-N 2.76Å; L59-S63 PolarHBondContact O-OG 3.21Å; L59-F116 HydrophobicContact CB-CZ 4.36Å; L59-F116 HydrophobicContact CD2-CE1 3.67Å; L59-F116 HydrophobicContact CD2-CE2 4.28Å; L59-F116 HydrophobicContact CD2-CZ 3.37Å; L59-F116 HydrophobicContact CG-CE1 4.49Å; L59-F116 HydrophobicContact CG-CE2 4.41Å; L59-F116 HydrophobicContact CG-CZ 3.72Å
60N81.3Confident73.6Confident100 Ų10065.6 Ų65.654%0.53536%0.362SS..Hα-helixtrans-65.3-37.4176.5-69.3-27.4000112.4M56 T57 L58 S63 L64M56-N60 WeakPolarHBondContact O-CB 3.22Å; M56-N60 PolarHBondContact O-N 3.42Å; M56-N60 PolarHBondContact O-ND2 3.48Å; M56-N60 VanDerWaalsContact O-ND2 3.07Å; T57-N60 PolarHBondContact O-N 2.83Å; L58-N60 VanDerWaalsContact C-N 3.35Å; L58-N60 PolarHBondContact O-N 2.93Å; N60-S63 PolarHBondContact O-OG 3.11Å; N60-L64 WeakPolarHBondContact O-CB 3.37Å; N60-L64 PolarHBondContact O-N 3.2Å; N60-L64 VanDerWaalsContact O-N 3.15Å
61V84.1Confident73.1Confident53 Ų5363.6 Ų63.632%0.32136%0.361SS..Hα-helixtrans-68.8-42.7175.21710000110.5T57 L58 L59 L64 V65 L107T57-V61 VanDerWaalsContact O-CG2 3.28Å; T57-V61 WeakPolarHBondContact O-CG2 3.21Å; T57-V61 PolarHBondContact O-N 3.43Å; L58-V61 PolarHBondContact O-N 3.14Å; L59-V61 VanDerWaalsContact C-N 3.34Å; L59-V61 PolarHBondContact O-N 3.3Å; V61-L64 WeakPolarHBondContact O-CB 3.46Å; V61-L64 PolarHBondContact O-N 2.89Å; V61-V65 HydrophobicContact CG1-CG2 4.28Å; V61-V65 VanDerWaalsContact O-CG2 3.29Å; V61-V65 WeakPolarHBondContact O-CG2 3.15Å; V61-V65 PolarHBondContact O-N 3.09Å; V61-L107 HydrophobicContact CG1-CD1 4.28Å
62C83.4Confident72.4Confident4 Ų465.9 Ų65.93%0.02739%0.385CS..Hα-helixtrans-67.3-39.4179.2-73.10000113.3L58 L59 L64 V65 N66 C111 F116L58-C62 WeakPolarHBondContact CD2-SG 3.44Å; L58-C62 WeakPolarHBondContact O-CB 3.37Å; L58-C62 PolarHBondContact O-N 2.87Å; L58-C62 PolarHBondContact O-SG 3.2Å; L58-C62 VanDerWaalsContact O-SG 3.37Å; L59-C62 PolarHBondContact O-N 3.3Å; C62-L64 VanDerWaalsContact C-N 3.32Å; C62-L64 PolarHBondContact O-N 3.29Å; C62-V65 PolarHBondContact O-N 3.34Å; C62-N66 VanDerWaalsContact O-CB 3.32Å; C62-N66 WeakPolarHBondContact O-CB 3.34Å; C62-N66 PolarHBondContact O-N 3.33Å; C62-N66 PolarHBondContact O-ND2 2.86Å; C62-C111 WeakPolarHBondContact CA-SG 3.5Å; C62-C111 HydrophobicContact CB-CB 3.55Å; C62-C111 WeakPolarHBondContact CB-SG 3.42Å; C62-C111 WeakPolarHBondContact SG-CA 3.19Å; C62-C111 WeakPolarHBondContact SG-CB 3.37Å; C62-C111 CovalentContact SG-SG 2.03Å; C62-C111 PolarHBondContact SG-SG 2.89Å; C62-F116 HydrophobicContact CB-CE1 3.69Å; C62-F116 HydrophobicContact CB-CZ 4.06Å
63S80Confident71.1Confident58 Ų5873.3 Ų73.341%0.40642%0.417SS..Hα-helixtrans-62.5-42.3172.570.80000110.7L59 N60 N67L59-S63 WeakPolarHBondContact O-CB 3.46Å; L59-S63 PolarHBondContact O-N 2.76Å; L59-S63 PolarHBondContact O-OG 3.21Å; N60-S63 PolarHBondContact O-OG 3.11Å; S63-N67 WeakPolarHBondContact O-CB 3.49Å; S63-N67 PolarHBondContact O-N 3.49Å; S63-N67 PolarHBondContact O-ND2 3.23Å
64L82.6Confident70Confident93 Ų9377.2 Ų77.249%0.48743%0.426SS..Hα-helixtrans-61.3-48.5176-175.969.1000112N60 V61 C62 N66 N67 L68N60-L64 WeakPolarHBondContact O-CB 3.37Å; N60-L64 PolarHBondContact O-N 3.2Å; N60-L64 VanDerWaalsContact O-N 3.15Å; V61-L64 WeakPolarHBondContact O-CB 3.46Å; V61-L64 PolarHBondContact O-N 2.89Å; C62-L64 VanDerWaalsContact C-N 3.32Å; C62-L64 PolarHBondContact O-N 3.29Å; L64-N66 PolarHBondContact O-N 3.17Å; L64-N67 PolarHBondContact O-N 2.03Å; L64-L68 HydrophobicContact CG-CD1 4.42Å; L64-L68 WeakPolarHBondContact O-CG 3.4Å; L64-L68 PolarHBondContact O-N 3.27Å
65V82.8Confident68.3Low6 Ų679.8 Ų79.84%0.03645%0.452CS..Hα-helixtrans-64.8-39.9-179172.20000111.7V61 C62 N67 L68 N69 I104 L107 H108V61-V65 HydrophobicContact CG1-CG2 4.28Å; V61-V65 VanDerWaalsContact O-CG2 3.29Å; V61-V65 WeakPolarHBondContact O-CG2 3.15Å; V61-V65 PolarHBondContact O-N 3.09Å; C62-V65 PolarHBondContact O-N 3.34Å; V65-N67 VanDerWaalsContact C-N 3.34Å; V65-N67 PolarHBondContact O-N 2.92Å; V65-L68 PolarHBondContact O-N 3.37Å; V65-N69 PolarHBondContact O-N 3.32Å; V65-I104 HydrophobicContact CG1-CG2 4.4Å; V65-L107 HydrophobicContact CG2-CB 4.29Å; V65-H108 HydrophobicContact CG1-CB 3.8Å
66N77.8Confident66.1Low65 Ų6582.3 Ų82.335%0.34849%0.485SS..Hα-helixtrans-65.8-37.9176.1-69.9-12.7000111.8C62 L64 L68 N69 S70 H112C62-N66 VanDerWaalsContact O-CB 3.32Å; C62-N66 WeakPolarHBondContact O-CB 3.34Å; C62-N66 PolarHBondContact O-N 3.33Å; C62-N66 PolarHBondContact O-ND2 2.86Å; L64-N66 PolarHBondContact O-N 3.17Å; N66-L68 VanDerWaalsContact C-N 3.33Å; N66-L68 PolarHBondContact O-N 3.07Å; N66-N69 PolarHBondContact O-N 3.01Å; N66-S70 PolarHBondContact O-N 3.37Å; N66-H112 PolarHBondContact OD1-CE1 2.71Å; N66-H112 VanDerWaalsContact OD1-CE1 3.25Å
67N74.2Confident64.2Low110 Ų11087.3 Ų87.359%0.58851%0.507SS*.Hα-helixtrans-67.7-31.1175.3-80.8-66.8000113.1S63 L64 V65 N69S63-N67 WeakPolarHBondContact O-CB 3.49Å; S63-N67 PolarHBondContact O-N 3.49Å; S63-N67 PolarHBondContact O-ND2 3.23Å; L64-N67 PolarHBondContact O-N 2.03Å; V65-N67 VanDerWaalsContact C-N 3.34Å; V65-N67 PolarHBondContact O-N 2.92Å; N67-N69 VanDerWaalsContact C-N 3.32Å
68L69.8Low62Low80 Ų8089.5 Ų89.542%0.41952%0.52SS..Hα-helixtrans-70.2-29.9176.1-71.7170000112.4L64 V65 N66 L89L64-L68 HydrophobicContact CG-CD1 4.42Å; L64-L68 WeakPolarHBondContact O-CG 3.4Å; L64-L68 PolarHBondContact O-N 3.27Å; V65-L68 PolarHBondContact O-N 3.37Å; N66-L68 VanDerWaalsContact C-N 3.33Å; N66-L68 PolarHBondContact O-N 3.07Å; L68-L89 HydrophobicContact CD2-CB 4.5Å; L68-L89 HydrophobicContact CD2-CD2 4.47Å
69N64.9Low59.6Low81 Ų8195.1 Ų95.143%0.43355%0.545SS..Hα-helixtrans-92.4-9.9-179.3-77.1-10.7000114.1V65 N66 N67 P71 H108V65-N69 PolarHBondContact O-N 3.32Å; N66-N69 PolarHBondContact O-N 3.01Å; N67-N69 VanDerWaalsContact C-N 3.32Å; N69-P71 VanDerWaalsContact O-CD 3.24Å; N69-P71 WeakPolarHBondContact O-CD 3.3Å; N69-H108 PolarHBondContact ND2-CD2 2.91Å; N69-H108 PolarHBondContact ND2-NE2 3.42Å
70S61.3Low57.7Low78 Ų78101.7 Ų101.755%0.54558%0.575SS.*SBendtrans-66.3115.2171-173.30000108N66 A72N66-S70 PolarHBondContact O-N 3.37Å; S70-A72 PolarHBondContact O-N 3.23Å
71P44Very low55.6Low94 Ų94104.7 Ų104.761%0.6159%0.586SS**  trans-55.7136.6170.425.7-32.3000107.1N69 E73N69-P71 VanDerWaalsContact O-CD 3.24Å; N69-P71 WeakPolarHBondContact O-CD 3.3Å; P71-E73 PolarHBondContact O-N 2.96Å
72A45.4Very low53.2Low100 Ų100110.3 Ų110.383%0.82661%0.609SS**  trans-61.688.6169.700000107.7S70 E74S70-A72 PolarHBondContact O-N 3.23Å; A72-E74 PolarHBondContact O-N 3.48Å
73E39.9Very low51.1Low183 Ų183115.8 Ų115.886%0.85564%0.637SS**  trans-67.7113.7165.4-79-170.5161.600107.4P71P71-E73 PolarHBondContact O-N 2.96Å
74E43Very low49.1Very low170 Ų170120.8 Ų120.879%0.79466%0.658SS**  trans-56.6152.1166.5-69.2177135.900110.8A72A72-E74 PolarHBondContact O-N 3.48Å
75T34.9Very low46.9Very low148 Ų148122.9 Ų122.991%0.90867%0.674SS**  trans69.2109.1158.637.40000119.1
76G28.8Very low44.9Very low76 Ų76131 Ų13178%0.78470%0.704SS**  trans151.287.2155.500000115.5
77E30.4Very low43.2Very low185 Ų185139 Ų13986%0.86473%0.73SS**  trans34.9118.8147.9-63.2-173.9167.900122.2
78V35Very low41.7Very low133 Ų133142 Ų14281%0.80674%0.737SS**  trans61.3105133.8-172.30000118.6
79H29.9Very low40.3Very low150 Ų150143 Ų14369%0.69474%0.742SS**  -165.5125.1110.3-16129000109.8E81H79-E81 VanDerWaalsContact C-N 3.29Å; H79-E81 PolarHBondContact O-N 3.01Å; H79-E81 VanDerWaalsContact O-N 3.15Å
80E37.1Very low39.2Very low168 Ų168143.4 Ų143.479%0.78575%0.75SS**THydrogen-bonded Turntrans-79.715.8-164.2-67.1-169.1136.100116
81E37.3Very low38.3Very low163 Ų163147 Ų14776%0.76277%0.769SS**THydrogen-bonded Turntrans-103.6-3.4-168.9-58.7-164.1178.200115.5H79H79-E81 VanDerWaalsContact C-N 3.29Å; H79-E81 PolarHBondContact O-N 3.01Å; H79-E81 VanDerWaalsContact O-N 3.15Å
82Q34.8Very low38.3Very low172 Ų172146.1 Ų146.180%0.80477%0.769SS**SBendtrans-11827.5-178.6-147.2172.818.800114
83L38.1Very low38.4Very low119 Ų119146 Ų14662%0.62375%0.754SS**  trans-86.6-3.2-173.3-70.8170.5000114.9
84I38.3Very low38.8Very low163 Ų163146.1 Ų146.184%0.83676%0.761SS**SBendtrans-95.4-20.4-171.8-52.8178.7000113.4
85T37.1Very low39.2Very low136 Ų136140.9 Ų140.983%0.83475%0.752SS**SBendtrans-103-7.9177.5-39.10000113.3R87T85-R87 PolarHBondContact O-N 3.15Å
86R41.7Very low40.3Very low178 Ų178138.6 Ų138.667%0.67273%0.73SS**  trans-8362.5174-158176.5-168.6171.53.7109.7K88R86-K88 PolarHBondContact O-N 2.84Å
87R40.7Very low42.6Very low233 Ų233138 Ų13888%0.87971%0.714SS**  trans-62.693.1161.3-99.6-174.9-171.7156.53.8106.3T85 L89T85-R87 PolarHBondContact O-N 3.15Å; R87-L89 PolarHBondContact O-N 3.46Å
88K44.2Very low44.9Very low172 Ų172135.4 Ų135.475%0.74871%0.705SS**  trans-53.198.2158.9-67.7-178177.7-175.60105.5R86R86-K88 PolarHBondContact O-N 2.84Å
89L39Very low47Very low100 Ų100136.1 Ų136.152%0.52470%0.7SS.*  trans-59.3126166.3-173.169000104.9L68 R87 T91L68-L89 HydrophobicContact CD2-CB 4.5Å; L68-L89 HydrophobicContact CD2-CD2 4.47Å; R87-L89 PolarHBondContact O-N 3.46Å; L89-T91 PolarHBondContact O-N 3.34Å; L89-T91 VanDerWaalsContact O-N 3.13Å
90P42.5Very low49.4Very low91 Ų91130 Ų13059%0.59168%0.675SS**  trans-54.9126.7-168.9-23.431.6000110.1A92P90-A92 HydrophobicContact CB-CB 4.38Å; P90-A92 PolarHBondContact O-N 2.89Å
91T42.9Very low51.5Low154 Ų154128 Ų12895%0.94567%0.667SS**SBendtrans-65.939.8168.5-34.80000111.3L89L89-T91 PolarHBondContact O-N 3.34Å; L89-T91 VanDerWaalsContact O-N 3.13Å
92A42.9Very low53.5Low75 Ų75124.5 Ų124.562%0.6265%0.653SS**  trans-139.662.6-17700000108.3P90P90-A92 HydrophobicContact CB-CB 4.38Å; P90-A92 PolarHBondContact O-N 2.89Å
93L47.6Very low55.8Low98 Ų98119.1 Ų119.151%0.51363%0.632SS.*  trans-125.579.6154.8-121.699.1000107.5G95 F96L93-G95 PolarHBondContact O-N 3.4Å; L93-F96 HydrophobicContact CB-CD2 3.33Å; L93-F96 HydrophobicContact CB-CE2 3.2Å; L93-F96 HydrophobicContact CB-CG 4.13Å; L93-F96 HydrophobicContact CB-CZ 3.93Å; L93-F96 HydrophobicContact CD2-CD1 3.72Å; L93-F96 HydrophobicContact CD2-CD2 3.82Å; L93-F96 HydrophobicContact CD2-CE1 3.73Å; L93-F96 HydrophobicContact CD2-CE2 3.81Å; L93-F96 HydrophobicContact CD2-CG 3.76Å; L93-F96 HydrophobicContact CD2-CZ 3.76Å; L93-F96 HydrophobicContact CG-CD2 4.2Å; L93-F96 HydrophobicContact CG-CE2 4.02Å; L93-F96 HydrophobicContact CG-CZ 4.28Å; L93-F96 PolarHBondContact O-N 3.34Å
94D48.5Very low57.9Low185 Ų185115.7 Ų115.799%0.98961%0.614SS**THydrogen-bonded Turntrans-67.431.6166.9-143.210000111.4
95G51.7Low59.9Low60 Ų60115.9 Ų115.962%0.61961%0.606SS**THydrogen-bonded Turntrans-167.722.6-166.400000113.6L93 S97L93-G95 PolarHBondContact O-N 3.4Å; G95-S97 PolarHBondContact O-N 3.26Å
96F58.7Low62Low99 Ų99113.4 Ų113.443%0.43459%0.585SS.*  trans-61.6122.2163-84.7-72.3000107.9L93 A100L93-F96 HydrophobicContact CB-CD2 3.33Å; L93-F96 HydrophobicContact CB-CE2 3.2Å; L93-F96 HydrophobicContact CB-CG 4.13Å; L93-F96 HydrophobicContact CB-CZ 3.93Å; L93-F96 HydrophobicContact CD2-CD1 3.72Å; L93-F96 HydrophobicContact CD2-CD2 3.82Å; L93-F96 HydrophobicContact CD2-CE1 3.73Å; L93-F96 HydrophobicContact CD2-CE2 3.81Å; L93-F96 HydrophobicContact CD2-CG 3.76Å; L93-F96 HydrophobicContact CD2-CZ 3.76Å; L93-F96 HydrophobicContact CG-CD2 4.2Å; L93-F96 HydrophobicContact CG-CE2 4.02Å; L93-F96 HydrophobicContact CG-CZ 4.28Å; L93-F96 PolarHBondContact O-N 3.34Å; F96-A100 HydrophobicContact CB-CB 4.38Å; F96-A100 HydrophobicContact CD1-CB 3.74Å
97S77.1Confident63.9Low65 Ų65108.1 Ų108.146%0.45557%0.569SS.*  trans-55.7145.3171.8610000109G95 E99 A100 M101G95-S97 PolarHBondContact O-N 3.26Å; S97-E99 PolarHBondContact O-N 3.27Å; S97-A100 WeakPolarHBondContact O-CA 3.48Å; S97-A100 WeakPolarHBondContact O-CB 3.41Å; S97-A100 PolarHBondContact O-N 3.27Å; S97-A100 PolarHBondContact OG-N 3.5Å; S97-M101 PolarHBondContact O-N 3.34Å; S97-M101 VanDerWaalsContact O-N 3.17Å
98L77.9Confident65.9Low130 Ų13099.2 Ų99.268%0.68154%0.538SS*.Hα-helixtrans-48.6-35.8174.4177.665.3000111.5M101 L102L98-M101 PolarHBondContact O-N 3.27Å; L98-L102 HydrophobicContact CG-CD1 4.11Å; L98-L102 WeakPolarHBondContact O-CB 3.23Å; L98-L102 VanDerWaalsContact O-CG 3.27Å; L98-L102 WeakPolarHBondContact O-CG 2.99Å; L98-L102 PolarHBondContact O-N 2.84Å
99E78.5Confident67.7Low148 Ų14895.7 Ų95.769%0.69252%0.522SS*.Hα-helixtrans-60-43.9173.3-172.5178-173.800113.2S97 M101 L102 T103S97-E99 PolarHBondContact O-N 3.27Å; E99-M101 VanDerWaalsContact C-N 3.35Å; E99-M101 PolarHBondContact O-N 3.05Å; E99-L102 PolarHBondContact O-N 3.49Å; E99-T103 VanDerWaalsContact O-CG2 3.28Å; E99-T103 WeakPolarHBondContact O-CG2 3.42Å; E99-T103 PolarHBondContact O-N 2.79Å; E99-T103 PolarHBondContact O-OG1 3.02Å
100A80.1Confident69.6Low22 Ų2293.1 Ų93.118%0.18251%0.508CS..Hα-helixtrans-66.1-37176.400000112.1F96 S97 T103 I104F96-A100 HydrophobicContact CB-CB 4.38Å; F96-A100 HydrophobicContact CD1-CB 3.74Å; S97-A100 WeakPolarHBondContact O-CA 3.48Å; S97-A100 WeakPolarHBondContact O-CB 3.41Å; S97-A100 PolarHBondContact O-N 3.27Å; S97-A100 PolarHBondContact OG-N 3.5Å; A100-T103 VanDerWaalsContact CA-OG1 3.3Å; A100-T103 WeakPolarHBondContact CA-OG1 3.43Å; A100-T103 PolarHBondContact O-OG1 2.8Å; A100-I104 WeakPolarHBondContact O-CD1 2.97Å; A100-I104 VanDerWaalsContact O-CG1 3.22Å; A100-I104 WeakPolarHBondContact O-CG1 3.49Å; A100-I104 PolarHBondContact O-N 2.75Å; A100-I104 VanDerWaalsContact O-N 3.08Å
101M81.1Confident71.5Confident125 Ų12589.1 Ų89.162%0.61648%0.483SS*.Hα-helixtrans-66.7-43.7174.8-175.6-179.4-72.200111.8S97 L98 E99 I104 Y105S97-M101 PolarHBondContact O-N 3.34Å; S97-M101 VanDerWaalsContact O-N 3.17Å; L98-M101 PolarHBondContact O-N 3.27Å; E99-M101 VanDerWaalsContact C-N 3.35Å; E99-M101 PolarHBondContact O-N 3.05Å; M101-I104 PolarHBondContact O-N 3.42Å; M101-Y105 WeakPolarHBondContact O-CB 3.42Å; M101-Y105 PolarHBondContact O-N 3.05Å
102L80.4Confident73.1Confident89 Ų8986.3 Ų86.347%0.46646%0.459SS..Hα-helixtrans-64-40.8178-72171.9000111.8L98 E99 Y105 Q106L98-L102 HydrophobicContact CG-CD1 4.11Å; L98-L102 WeakPolarHBondContact O-CB 3.23Å; L98-L102 VanDerWaalsContact O-CG 3.27Å; L98-L102 WeakPolarHBondContact O-CG 2.99Å; L98-L102 PolarHBondContact O-N 2.84Å; E99-L102 PolarHBondContact O-N 3.49Å; L102-Y105 WeakPolarHBondContact O-CB 3.28Å; L102-Y105 PolarHBondContact O-N 2.94Å; L102-Q106 WeakPolarHBondContact O-CB 3.42Å; L102-Q106 VanDerWaalsContact O-CG 3.22Å; L102-Q106 WeakPolarHBondContact O-CG 3.46Å; L102-Q106 PolarHBondContact O-N 2.7Å
103T82.1Confident74.8Confident59 Ų5983.7 Ų83.736%0.36244%0.436SS..Hα-helixtrans-66.6-39.4176.651.30000112.6E99 A100 Y105 Q106 L107E99-T103 VanDerWaalsContact O-CG2 3.28Å; E99-T103 WeakPolarHBondContact O-CG2 3.42Å; E99-T103 PolarHBondContact O-N 2.79Å; E99-T103 PolarHBondContact O-OG1 3.02Å; A100-T103 VanDerWaalsContact CA-OG1 3.3Å; A100-T103 WeakPolarHBondContact CA-OG1 3.43Å; A100-T103 PolarHBondContact O-OG1 2.8Å; T103-Y105 VanDerWaalsContact C-N 3.34Å; T103-Y105 PolarHBondContact O-N 3Å; T103-Q106 PolarHBondContact O-N 3.16Å; T103-L107 WeakPolarHBondContact O-CB 3.29Å; T103-L107 VanDerWaalsContact O-CG 3.31Å; T103-L107 WeakPolarHBondContact O-CG 3.49Å; T103-L107 PolarHBondContact O-N 3.15Å
104I82.6Confident75.5Confident47 Ų4789.4 Ų89.424%0.24145%0.45CS..Hα-helixtrans-63-42.1173.2-68.5165.9000110.7V65 A100 M101 L107 H108V65-I104 HydrophobicContact CG1-CG2 4.4Å; A100-I104 WeakPolarHBondContact O-CD1 2.97Å; A100-I104 VanDerWaalsContact O-CG1 3.22Å; A100-I104 WeakPolarHBondContact O-CG1 3.49Å; A100-I104 PolarHBondContact O-N 2.75Å; A100-I104 VanDerWaalsContact O-N 3.08Å; M101-I104 PolarHBondContact O-N 3.42Å; I104-L107 PolarHBondContact O-N 3.39Å; I104-H108 WeakPolarHBondContact O-CB 3.5Å; I104-H108 PolarHBondContact O-N 2.84Å
105Y81.6Confident76.2Confident167 Ų16781.6 Ų81.666%0.65541%0.412SS*.Hα-helixtrans-63.1-41.2176.1-178.9-98.1000112.4M101 L102 T103 H108 K109M101-Y105 WeakPolarHBondContact O-CB 3.42Å; M101-Y105 PolarHBondContact O-N 3.05Å; L102-Y105 WeakPolarHBondContact O-CB 3.28Å; L102-Y105 PolarHBondContact O-N 2.94Å; T103-Y105 VanDerWaalsContact C-N 3.34Å; T103-Y105 PolarHBondContact O-N 3Å; Y105-H108 WeakPolarHBondContact O-CB 3.49Å; Y105-H108 PolarHBondContact O-N 3.47Å; Y105-K109 PolarHBondContact O-N 3.25Å
106Q80Confident76.9Confident85 Ų8579.3 Ų79.340%0.39739%0.385SS..Hα-helixtrans-64.1-45.1175.5-73.6168.5-1600111.8M30 L102 T103 H108 K109 I110M30-Q106 HydrophobicContact SD-CG 4.14Å; M30-Q106 PolarHBondContact SD-NE2 3.21Å; M30-Q106 VanDerWaalsContact SD-NE2 3.42Å; L102-Q106 WeakPolarHBondContact O-CB 3.42Å; L102-Q106 VanDerWaalsContact O-CG 3.22Å; L102-Q106 WeakPolarHBondContact O-CG 3.46Å; L102-Q106 PolarHBondContact O-N 2.7Å; T103-Q106 PolarHBondContact O-N 3.16Å; Q106-H108 VanDerWaalsContact C-N 3.3Å; Q106-H108 PolarHBondContact O-N 3.41Å; Q106-K109 WeakPolarHBondContact O-CB 3.42Å; Q106-K109 PolarHBondContact O-N 3.09Å; Q106-I110 PolarHBondContact O-N 3.42Å
107L82.5Confident77.2Confident67 Ų6779.2 Ų79.235%0.35139%0.386SS..Hα-helixtrans-61.4-41175.6-73.1172.1000111.5V61 V65 T103 I104 K109 I110 C111V61-L107 HydrophobicContact CG1-CD1 4.28Å; V65-L107 HydrophobicContact CG2-CB 4.29Å; T103-L107 WeakPolarHBondContact O-CB 3.29Å; T103-L107 VanDerWaalsContact O-CG 3.31Å; T103-L107 WeakPolarHBondContact O-CG 3.49Å; T103-L107 PolarHBondContact O-N 3.15Å; I104-L107 PolarHBondContact O-N 3.39Å; L107-K109 VanDerWaalsContact C-N 3.27Å; L107-K109 PolarHBondContact O-N 2.96Å; L107-I110 WeakPolarHBondContact O-CB 3.21Å; L107-I110 PolarHBondContact O-N 2.98Å; L107-I110 VanDerWaalsContact O-N 3.11Å; L107-C111 WeakPolarHBondContact O-CB 3.34Å; L107-C111 PolarHBondContact O-N 3.26Å; L107-C111 PolarHBondContact O-SG 3.49Å
108H82.7Confident76.5Confident46 Ų4681.4 Ų81.421%0.21339%0.389CS..Hα-helixtrans-57.9-40.6176.5-177.9-102.3000112.3V65 N69 I104 Y105 Q106 C111 H112V65-H108 HydrophobicContact CG1-CB 3.8Å; N69-H108 PolarHBondContact ND2-CD2 2.91Å; N69-H108 PolarHBondContact ND2-NE2 3.42Å; I104-H108 WeakPolarHBondContact O-CB 3.5Å; I104-H108 PolarHBondContact O-N 2.84Å; Y105-H108 WeakPolarHBondContact O-CB 3.49Å; Y105-H108 PolarHBondContact O-N 3.47Å; Q106-H108 VanDerWaalsContact C-N 3.3Å; Q106-H108 PolarHBondContact O-N 3.41Å; H108-C111 PolarHBondContact O-N 3.39Å; H108-H112 AromaticContact CD2-CE1 3.42Å; H108-H112 PolarHBondContact CD2-CE1 3.04Å; H108-H112 VanDerWaalsContact CD2-CE1 3.42Å; H108-H112 AromaticContact CD2-ND1 3.56Å; H108-H112 AromaticContact CE1-CE1 3.42Å; H108-H112 PolarHBondContact CE1-CE1 3.17Å; H108-H112 VanDerWaalsContact CE1-CE1 3.42Å; H108-H112 AromaticContact CE1-ND1 3.53Å; H108-H112 AromaticContact CE1-NE2 3.99Å; H108-H112 AromaticContact CG-ND1 3.85Å; H108-H112 AromaticContact ND1-ND1 3.81Å; H108-H112 AromaticContact NE2-CE1 2.96Å; H108-H112 PolarHBondContact NE2-CE1 3.29Å; H108-H112 AromaticContact NE2-ND1 3.42Å; H108-H112 PolarHBondContact NE2-ND1 3.5Å; H108-H112 AromaticContact NE2-NE2 3.75Å; H108-H112 WeakPolarHBondContact O-CB 3.49Å; H108-H112 PolarHBondContact O-N 3.36Å; H108-H112 PolarHBondContact O-ND1 2.92Å
109K81.1Confident75.9Confident98 Ų9876.9 Ų76.943%0.42636%0.362SS..Hα-helixtrans-62.7-41.9175.7-171.1-169.2174.9-148.30112E34 Y105 Q106 L107 H112 S113E34-K109 IonicContact OE1-NZ 3.78Å; E34-K109 IonicContact OE2-NZ 2.76Å; E34-K109 PolarHBondContact OE2-NZ 2.96Å; Y105-K109 PolarHBondContact O-N 3.25Å; Q106-K109 WeakPolarHBondContact O-CB 3.42Å; Q106-K109 PolarHBondContact O-N 3.09Å; L107-K109 VanDerWaalsContact C-N 3.27Å; L107-K109 PolarHBondContact O-N 2.96Å; K109-H112 PolarHBondContact O-N 3.42Å; K109-S113 PolarHBondContact O-N 2.97Å; K109-S113 VanDerWaalsContact O-N 3.15Å
110I80.1Confident75.1Confident45 Ų4574.9 Ų74.923%0.23135%0.353CS..Hα-helixtrans-64.7-43.4177-63.9168.3000110.4Q106 L107 H112 S113Q106-I110 PolarHBondContact O-N 3.42Å; L107-I110 WeakPolarHBondContact O-CB 3.21Å; L107-I110 PolarHBondContact O-N 2.98Å; L107-I110 VanDerWaalsContact O-N 3.11Å; I110-H112 VanDerWaalsContact C-N 3.31Å; I110-H112 PolarHBondContact O-N 2.94Å; I110-S113 WeakPolarHBondContact O-CB 3.32Å; I110-S113 PolarHBondContact O-N 3.2Å; I110-S113 VanDerWaalsContact O-N 3.09Å; I110-S113 PolarHBondContact O-OG 3.16Å
111C81.2Confident74.2Confident8 Ų879.1 Ų79.15%0.05437%0.372CS..Hα-helixtrans-66.3-30.4178.9-62.10000113.5C62 L107 H108 S113C62-C111 WeakPolarHBondContact CA-SG 3.5Å; C62-C111 HydrophobicContact CB-CB 3.55Å; C62-C111 WeakPolarHBondContact CB-SG 3.42Å; C62-C111 WeakPolarHBondContact SG-CA 3.19Å; C62-C111 WeakPolarHBondContact SG-CB 3.37Å; C62-C111 CovalentContact SG-SG 2.03Å; C62-C111 PolarHBondContact SG-SG 2.89Å; L107-C111 WeakPolarHBondContact O-CB 3.34Å; L107-C111 PolarHBondContact O-N 3.26Å; L107-C111 PolarHBondContact O-SG 3.49Å; H108-C111 PolarHBondContact O-N 3.39Å; C111-S113 VanDerWaalsContact C-N 3.33Å
112H77.3Confident73.2Confident94 Ų9476.3 Ų76.344%0.43536%0.359SS..THydrogen-bonded Turntrans-87.1-0.4173.9-76.472.6000113.6N66 H108 K109 I110N66-H112 PolarHBondContact OD1-CE1 2.71Å; N66-H112 VanDerWaalsContact OD1-CE1 3.25Å; H108-H112 AromaticContact CD2-CE1 3.42Å; H108-H112 PolarHBondContact CD2-CE1 3.04Å; H108-H112 VanDerWaalsContact CD2-CE1 3.42Å; H108-H112 AromaticContact CD2-ND1 3.56Å; H108-H112 AromaticContact CE1-CE1 3.42Å; H108-H112 PolarHBondContact CE1-CE1 3.17Å; H108-H112 VanDerWaalsContact CE1-CE1 3.42Å; H108-H112 AromaticContact CE1-ND1 3.53Å; H108-H112 AromaticContact CE1-NE2 3.99Å; H108-H112 AromaticContact CG-ND1 3.85Å; H108-H112 AromaticContact ND1-ND1 3.81Å; H108-H112 AromaticContact NE2-CE1 2.96Å; H108-H112 PolarHBondContact NE2-CE1 3.29Å; H108-H112 AromaticContact NE2-ND1 3.42Å; H108-H112 PolarHBondContact NE2-ND1 3.5Å; H108-H112 AromaticContact NE2-NE2 3.75Å; H108-H112 WeakPolarHBondContact O-CB 3.49Å; H108-H112 PolarHBondContact O-N 3.36Å; H108-H112 PolarHBondContact O-ND1 2.92Å; K109-H112 PolarHBondContact O-N 3.42Å; I110-H112 VanDerWaalsContact C-N 3.31Å; I110-H112 PolarHBondContact O-N 2.94Å
113S77.6Confident72.1Confident20 Ų2073.6 Ų73.614%0.1434%0.344CS..SBendtrans-65.6139.517974.40000110.7K109 I110 C111 A115 F116 Q117K109-S113 PolarHBondContact O-N 2.97Å; K109-S113 VanDerWaalsContact O-N 3.15Å; I110-S113 WeakPolarHBondContact O-CB 3.32Å; I110-S113 PolarHBondContact O-N 3.2Å; I110-S113 VanDerWaalsContact O-N 3.09Å; I110-S113 PolarHBondContact O-OG 3.16Å; C111-S113 VanDerWaalsContact C-N 3.33Å; S113-A115 PolarHBondContact O-N 3.49Å; S113-A115 VanDerWaalsContact O-N 3.16Å; S113-F116 WeakPolarHBondContact O-CB 3.24Å; S113-F116 PolarHBondContact O-N 2.95Å; S113-F116 WeakPolarHBondContact OG-CB 3.43Å; S113-Q117 PolarHBondContact O-N 3.19Å; S113-Q117 VanDerWaalsContact O-N 3.16Å
114R61.9Low70.9Confident218 Ų21876.5 Ų76.582%0.82335%0.353SS*.Hα-helixtrans-59.1-28.8179.6-172.3177.5178.9-169.70.2112.9F116 H118R114-F116 VanDerWaalsContact C-N 3.31Å; R114-H118 PolarHBondContact O-N 3.23Å
115A64.3Low69.5Low21 Ų2179.5 Ų79.517%0.17437%0.37CS..Hα-helixtrans-64.2-38174.600000111.5L38 S113 W119L38-A115 HydrophobicContact CD2-CB 3.68Å; S113-A115 PolarHBondContact O-N 3.49Å; S113-A115 VanDerWaalsContact O-N 3.16Å; A115-W119 HydrophobicContact CB-CH2 4.06Å; A115-W119 HydrophobicContact CB-CZ2 4.37Å; A115-W119 HydrophobicContact CB-CZ3 4.41Å; A115-W119 PolarHBondContact O-N 3.1Å
116F66.3Low68.2Low13 Ų1376 Ų766%0.05736%0.361CS..Hα-helixtrans-75.2-42.9-180-162.5-102.4000113L58 L59 C62 S113 R114 H118 W119 E120L58-F116 HydrophobicContact CB-CE2 4.27Å; L58-F116 HydrophobicContact CD2-CD2 3.74Å; L58-F116 HydrophobicContact CD2-CE2 3.17Å; L58-F116 HydrophobicContact CD2-CZ 3.6Å; L58-F116 HydrophobicContact CG-CE2 4.19Å; L59-F116 HydrophobicContact CB-CZ 4.36Å; L59-F116 HydrophobicContact CD2-CE1 3.67Å; L59-F116 HydrophobicContact CD2-CE2 4.28Å; L59-F116 HydrophobicContact CD2-CZ 3.37Å; L59-F116 HydrophobicContact CG-CE1 4.49Å; L59-F116 HydrophobicContact CG-CE2 4.41Å; L59-F116 HydrophobicContact CG-CZ 3.72Å; C62-F116 HydrophobicContact CB-CE1 3.69Å; C62-F116 HydrophobicContact CB-CZ 4.06Å; S113-F116 WeakPolarHBondContact O-CB 3.24Å; S113-F116 PolarHBondContact O-N 2.95Å; S113-F116 WeakPolarHBondContact OG-CB 3.43Å; R114-F116 VanDerWaalsContact C-N 3.31Å; F116-H118 PolarHBondContact O-N 3.28Å; F116-W119 HydrophobicContact CB-CE3 4.47Å; F116-W119 AromaticContact CD2-CE3 3.77Å; F116-W119 HydrophobicContact CD2-CE3 3.77Å; F116-W119 HydrophobicContact CD2-CZ3 4.19Å; F116-W119 HydrophobicContact CE2-CE3 4.48Å; F116-W119 WeakPolarHBondContact O-CA 3.4Å; F116-W119 WeakPolarHBondContact O-CB 3.45Å; F116-W119 PolarHBondContact O-N 3.09Å; F116-E120 PolarHBondContact O-N 3.4Å; F116-E120 VanDerWaalsContact O-N 3.1Å
117Q65.4Low66.9Low97 Ų9777.9 Ų77.945%0.45337%0.373SS..Hα-helixtrans-57.9-37.1174.9-68.4178-14.500112.3S113 W119S113-Q117 PolarHBondContact O-N 3.19Å; S113-Q117 VanDerWaalsContact O-N 3.16Å; Q117-W119 VanDerWaalsContact C-N 3.31Å; Q117-W119 PolarHBondContact O-N 3.46Å
118H62.3Low65.2Low111 Ų11180.9 Ų80.951%0.51439%0.39SS..Hα-helixtrans-68.8-30.6175.7-170.146000112.4R114 F116 I122R114-H118 PolarHBondContact O-N 3.23Å; F116-H118 PolarHBondContact O-N 3.28Å; H118-I122 WeakPolarHBondContact O-CD1 3.49Å; H118-I122 VanDerWaalsContact O-CG1 3.27Å; H118-I122 WeakPolarHBondContact O-CG1 3.48Å; H118-I122 PolarHBondContact O-N 3.27Å
119W64.8Low63.5Low34 Ų3481.3 Ų81.313%0.12940%0.396CS..Hα-helixtrans-75.3-33.9177.7-68.2-28.2000113.9L38 M41 A115 F116 Q117 L121 I122 Q123L38-W119 HydrophobicContact CD2-CH2 4.37Å; M41-W119 HydrophobicContact CB-CH2 3.35Å; M41-W119 HydrophobicContact CB-CZ2 3.67Å; M41-W119 HydrophobicContact CB-CZ3 4.18Å; M41-W119 HydrophobicContact CE-CH2 3.42Å; M41-W119 VanDerWaalsContact CE-CH2 3.42Å; M41-W119 HydrophobicContact CE-CZ3 3.48Å; M41-W119 VanDerWaalsContact CE-CZ3 3.48Å; M41-W119 HydrophobicContact CG-CH2 3.93Å; M41-W119 HydrophobicContact CG-CZ3 4.32Å; M41-W119 HydrophobicContact SD-CE3 4.21Å; M41-W119 HydrophobicContact SD-CH2 3.37Å; M41-W119 WeakPolarHBondContact SD-CH2 3.22Å; M41-W119 HydrophobicContact SD-CZ2 4.44Å; M41-W119 HydrophobicContact SD-CZ3 3.19Å; M41-W119 WeakPolarHBondContact SD-CZ3 3.48Å; A115-W119 HydrophobicContact CB-CH2 4.06Å; A115-W119 HydrophobicContact CB-CZ2 4.37Å; A115-W119 HydrophobicContact CB-CZ3 4.41Å; A115-W119 PolarHBondContact O-N 3.1Å; F116-W119 HydrophobicContact CB-CE3 4.47Å; F116-W119 AromaticContact CD2-CE3 3.77Å; F116-W119 HydrophobicContact CD2-CE3 3.77Å; F116-W119 HydrophobicContact CD2-CZ3 4.19Å; F116-W119 HydrophobicContact CE2-CE3 4.48Å; F116-W119 WeakPolarHBondContact O-CA 3.4Å; F116-W119 WeakPolarHBondContact O-CB 3.45Å; F116-W119 PolarHBondContact O-N 3.09Å; Q117-W119 VanDerWaalsContact C-N 3.31Å; Q117-W119 PolarHBondContact O-N 3.46Å; W119-L121 VanDerWaalsContact C-N 3.35Å; W119-I122 PolarHBondContact O-N 3.23Å; W119-Q123 PolarHBondContact O-N 3.06Å; W119-Q123 VanDerWaalsContact O-N 3.09Å
120E62Low61.8Low106 Ų10679.9 Ų79.950%0.49541%0.409SS..Hα-helixtrans-58-48.2172.9-172169.6-15400110.8F116 I122 Q123 E124F116-E120 PolarHBondContact O-N 3.4Å; F116-E120 VanDerWaalsContact O-N 3.1Å; E120-I122 PolarHBondContact O-N 2.75Å; E120-Q123 PolarHBondContact O-N 3.04Å; E120-E124 PolarHBondContact O-N 3.46Å
121L61.4Low60Low111 Ų11183.8 Ų83.858%0.58143%0.43SS*.Hα-helixtrans-63.3-40177.3-72.8165.5000113.8W119 Q123 D125W119-L121 VanDerWaalsContact C-N 3.35Å; L121-Q123 VanDerWaalsContact C-N 3.29Å; L121-Q123 PolarHBondContact O-N 3.1Å; L121-D125 PolarHBondContact O-N 3.1Å
122I59.3Low58.3Low66 Ų6688.5 Ų88.534%0.33846%0.455SS..Hα-helixtrans-68-32.2178.5-69.4164.4000111H118 W119 E120 I126H118-I122 WeakPolarHBondContact O-CD1 3.49Å; H118-I122 VanDerWaalsContact O-CG1 3.27Å; H118-I122 WeakPolarHBondContact O-CG1 3.48Å; H118-I122 PolarHBondContact O-N 3.27Å; W119-I122 PolarHBondContact O-N 3.23Å; E120-I122 PolarHBondContact O-N 2.75Å; I122-I126 HydrophobicContact CG2-CD1 3.75Å; I122-I126 HydrophobicContact CG2-CG1 4.44Å; I122-I126 WeakPolarHBondContact O-CD1 3.41Å; I122-I126 VanDerWaalsContact O-CG1 3.27Å; I122-I126 WeakPolarHBondContact O-CG1 3.37Å; I122-I126 PolarHBondContact O-N 3.37Å; I122-I126 VanDerWaalsContact O-N 3.15Å
123Q58.2Low57.1Low33 Ų3392.7 Ų92.715%0.15447%0.472CS..Hα-helixtrans-73.9-36.9-179.7-169.8174.9-51.900112.3M56 W119 E120 L121 D125 I126 L127M56-Q123 PolarHBondContact SD-NE2 3.42Å; W119-Q123 PolarHBondContact O-N 3.06Å; W119-Q123 VanDerWaalsContact O-N 3.09Å; E120-Q123 PolarHBondContact O-N 3.04Å; L121-Q123 VanDerWaalsContact C-N 3.29Å; L121-Q123 PolarHBondContact O-N 3.1Å; Q123-D125 VanDerWaalsContact C-N 3.33Å; Q123-I126 PolarHBondContact O-N 3.15Å; Q123-L127 HydrophobicContact CG-CD1 3.94Å; Q123-L127 HydrophobicContact CG-CG 4.4Å; Q123-L127 WeakPolarHBondContact O-CB 3.27Å; Q123-L127 WeakPolarHBondContact O-CG 3.5Å; Q123-L127 PolarHBondContact O-N 3.4Å
124E57.6Low55.8Low120 Ų12096.7 Ų96.756%0.56149%0.492SS*.Hα-helixtrans-58.3-46171.6-74.7176.8161.800110.9E120 I126 L127 D128E120-E124 PolarHBondContact O-N 3.46Å; E124-I126 PolarHBondContact O-N 2.62Å; E124-L127 PolarHBondContact O-N 3.33Å; E124-D128 WeakPolarHBondContact O-CB 3.37Å; E124-D128 PolarHBondContact O-N 3.23Å
125D51.3Low55.3Low110 Ų11091.9 Ų91.959%0.58848%0.479SS*.Hα-helixtrans-62.3-40.4178.5-164.840.5000112.5L121 Q123 T129L121-D125 PolarHBondContact O-N 3.1Å; Q123-D125 VanDerWaalsContact C-N 3.33Å; D125-T129 WeakPolarHBondContact O-CB 3.27Å; D125-T129 PolarHBondContact O-N 3.41Å; D125-T129 PolarHBondContact O-OG1 3.42Å
126I54.6Low54.7Low93 Ų9399 Ų9948%0.47751%0.506SS..Hα-helixtrans-71-37.9177.9-66.3166.2000112.1I122 Q123 E124 G130I122-I126 HydrophobicContact CG2-CD1 3.75Å; I122-I126 HydrophobicContact CG2-CG1 4.44Å; I122-I126 WeakPolarHBondContact O-CD1 3.41Å; I122-I126 VanDerWaalsContact O-CG1 3.27Å; I122-I126 WeakPolarHBondContact O-CG1 3.37Å; I122-I126 PolarHBondContact O-N 3.37Å; I122-I126 VanDerWaalsContact O-N 3.15Å; Q123-I126 PolarHBondContact O-N 3.15Å; E124-I126 PolarHBondContact O-N 2.62Å; I126-G130 PolarHBondContact O-N 2.97Å
127L53.3Low54.1Low124 Ų124104.6 Ų104.665%0.64953%0.532SS*.Hα-helixtrans-70.1-34177.5-75.3167.8000111.5Q123 E124Q123-L127 HydrophobicContact CG-CD1 3.94Å; Q123-L127 HydrophobicContact CG-CG 4.4Å; Q123-L127 WeakPolarHBondContact O-CB 3.27Å; Q123-L127 WeakPolarHBondContact O-CG 3.5Å; Q123-L127 PolarHBondContact O-N 3.4Å; E124-L127 PolarHBondContact O-N 3.33Å
128D47.5Very low53.4Low130 Ų130106.5 Ų106.570%0.69554%0.541SS*.Hα-helixtrans-77.6-35.4178.5-143.114.3000112.1E124 G130 N131E124-D128 WeakPolarHBondContact O-CB 3.37Å; E124-D128 PolarHBondContact O-N 3.23Å; D128-G130 PolarHBondContact O-N 2.95Å; D128-N131 PolarHBondContact O-N 3.31Å
129T46.4Very low53Low55 Ų55106.4 Ų106.434%0.33755%0.548SS..Hα-helixtrans-65.5-21174.2-490000112.6D125 N131 D132D125-T129 WeakPolarHBondContact O-CB 3.27Å; D125-T129 PolarHBondContact O-N 3.41Å; D125-T129 PolarHBondContact O-OG1 3.42Å; T129-N131 PolarHBondContact O-N 2.96Å; T129-D132 PolarHBondContact O-N 3.21Å
130G44.7Very low52.5Low69 Ų69109.7 Ų109.771%0.71157%0.567SS**THydrogen-bonded Turntrans-67.1-11.5176.900000115.2I126 D128I126-G130 PolarHBondContact O-N 2.97Å; D128-G130 PolarHBondContact O-N 2.95Å
131N43.2Very low52.2Low126 Ų126111.7 Ų111.767%0.67457%0.574SS**THydrogen-bonded Turntrans-89.5-11.5178.1-165.322.5000113.4D128 T129 K133D128-N131 PolarHBondContact O-N 3.31Å; T129-N131 PolarHBondContact O-N 2.96Å; N131-K133 PolarHBondContact O-N 3.47Å
132D45.5Very low52.2Low107 Ų107117.1 Ų117.157%0.57259%0.587SS**  trans-81.793179.2-106.5-28000111.1T129 N134 E135T129-D132 PolarHBondContact O-N 3.21Å; D132-N134 PolarHBondContact O-N 3.15Å; D132-E135 PolarHBondContact O-N 3.3Å
133K51.8Low52.4Low183 Ų183123.6 Ų123.680%0.79661%0.612SS**THydrogen-bonded Turntrans-56.10.4171.8-69.7174.3179.7167.40114.3N131N131-K133 PolarHBondContact O-N 3.47Å
134N50.2Low52.9Low103 Ų103125 Ų12555%0.55162%0.621SS**THydrogen-bonded Turntrans-91.1-20.8-177.1-72-25.9000114.5D132 K136 E137 E138D132-N134 PolarHBondContact O-N 3.15Å; N134-K136 VanDerWaalsContact C-N 3.28Å; N134-K136 PolarHBondContact O-N 2.95Å; N134-E137 PolarHBondContact O-N 3.15Å; N134-E137 VanDerWaalsContact O-N 3.11Å; N134-E138 PolarHBondContact O-N 3.44Å
135E51.3Low53.9Low118 Ų118122.8 Ų122.855%0.55162%0.616SS**Hα-helixtrans-66.5-31.4-178.8-68.3-161.4151.800112.8D132 E137 E138 V139D132-E135 PolarHBondContact O-N 3.3Å; E135-E137 PolarHBondContact O-N 3.46Å; E135-E138 PolarHBondContact O-N 3.27Å; E135-V139 WeakPolarHBondContact O-CG2 3.36Å; E135-V139 PolarHBondContact O-N 3.19Å
136K52.4Low54.7Low170 Ų170125.3 Ų125.374%0.73962%0.619SS**Hα-helixtrans-63.1-30.6176.3-66.8-173.4-177.7177.80111.5N134 I140N134-K136 VanDerWaalsContact C-N 3.28Å; N134-K136 PolarHBondContact O-N 2.95Å; K136-I140 WeakPolarHBondContact O-CD1 3.04Å; K136-I140 WeakPolarHBondContact O-CG1 3.38Å; K136-I140 PolarHBondContact O-N 3.32Å
137E52.1Low55.7Low130 Ų130125.3 Ų125.361%0.60762%0.619SS**Hα-helixtrans-78.7-30.2-179.7-164.1169.5-175.700112.7N134 E135N134-E137 PolarHBondContact O-N 3.15Å; N134-E137 VanDerWaalsContact O-N 3.11Å; E135-E137 PolarHBondContact O-N 3.46Å
138E52.4Low56.5Low138 Ų138124.1 Ų124.165%0.64561%0.613SS**Hα-helixtrans-81.9-34.8178.3-63.3-155.2151.900113.4N134 E135 K141N134-E138 PolarHBondContact O-N 3.44Å; E135-E138 PolarHBondContact O-N 3.27Å; E138-K141 PolarHBondContact O-N 3.45Å
139V52.8Low57.5Low108 Ų108123.7 Ų123.766%0.65561%0.605SS**Hα-helixtrans-70.7-32.5177.5177.10000111.6E135 K141 R142E135-V139 WeakPolarHBondContact O-CG2 3.36Å; E135-V139 PolarHBondContact O-N 3.19Å; V139-K141 PolarHBondContact O-N 3.07Å; V139-R142 PolarHBondContact O-N 3.46Å
140I55.3Low58.5Low103 Ų103128.3 Ų128.353%0.52862%0.616SS.*THydrogen-bonded Turntrans-65.8-18.6177.1-69.3167.4000112K136 R142 I144K136-I140 WeakPolarHBondContact O-CD1 3.04Å; K136-I140 WeakPolarHBondContact O-CG1 3.38Å; K136-I140 PolarHBondContact O-N 3.32Å; I140-R142 PolarHBondContact O-N 3.49Å; I140-I144 HydrophobicContact CG2-CD1 3.68Å; I140-I144 HydrophobicContact CG2-CG1 4.05Å; I140-I144 WeakPolarHBondContact O-CD1 2.96Å; I140-I144 WeakPolarHBondContact O-CG1 3.34Å
141K54.4Low59.6Low149 Ų149130.3 Ų130.365%0.64861%0.607SS**THydrogen-bonded Turntrans-74.3-11.3179-66.1174-171.9169.10113.6E138 V139 K143E138-K141 PolarHBondContact O-N 3.45Å; V139-K141 PolarHBondContact O-N 3.07Å; K141-K143 PolarHBondContact O-N 2.91Å
142R62.5Low60.5Low225 Ų225129.5 Ų129.585%0.84960%0.602SS**SBendtrans-99.993.5-179.9-63.3-174.2-174.3168.44.6110.6V139 I140V139-R142 PolarHBondContact O-N 3.46Å; I140-R142 PolarHBondContact O-N 3.49Å
143K64Low61.2Low201 Ų201131.3 Ų131.387%0.87460%0.602SS**  trans67.361.7167.3-146.4179.5-171-177.90115.2K141 P145K141-K143 PolarHBondContact O-N 2.91Å; K143-P145 WeakPolarHBondContact O-CD 3.22Å
144I67.6Low61.6Low64 Ų64128.1 Ų128.133%0.32859%0.59SS.*  trans-61.1126.3166.8-52176.1000109.3I140 L148I140-I144 HydrophobicContact CG2-CD1 3.68Å; I140-I144 HydrophobicContact CG2-CG1 4.05Å; I140-I144 WeakPolarHBondContact O-CD1 2.96Å; I140-I144 WeakPolarHBondContact O-CG1 3.34Å; I144-L148 HydrophobicContact CG2-CB 3.48Å; I144-L148 VanDerWaalsContact CG2-CB 3.48Å
145P79.1Confident62Low72 Ų72129.6 Ų129.647%0.46860%0.598SS.*  trans-55.5145.5173.7-22.731.4000111.8K143 I147 L148 K149K143-P145 WeakPolarHBondContact O-CD 3.22Å; P145-I147 PolarHBondContact O-N 3.36Å; P145-L148 HydrophobicContact CB-CD1 4.36Å; P145-L148 HydrophobicContact CG-CD1 3.91Å; P145-L148 PolarHBondContact O-N 3.16Å; P145-K149 PolarHBondContact O-N 3.24Å; P145-K149 VanDerWaalsContact O-N 3.1Å
146Y67.9Low62.4Low163 Ų163130.4 Ų130.464%0.63960%0.599SS**Hα-helixtrans-56.1-29.9-176.274.8-85.4000113.5K149 R150Y146-K149 PolarHBondContact O-N 3.21Å; Y146-R150 PolarHBondContact O-N 3.31Å
147I74.5Confident62.9Low94 Ų94128 Ų12848%0.48260%0.601SS.*Hα-helixtrans-63.7-50.4177.1-69.8152.6000110.8P145 K149 R150 Q151P145-I147 PolarHBondContact O-N 3.36Å; I147-K149 VanDerWaalsContact C-N 3.31Å; I147-K149 PolarHBondContact O-N 3.29Å; I147-R150 PolarHBondContact O-N 3.3Å; I147-R150 VanDerWaalsContact O-N 3.15Å; I147-Q151 WeakPolarHBondContact O-CG 3.24Å; I147-Q151 PolarHBondContact O-N 3.3Å; I147-Q151 VanDerWaalsContact O-N 3.1Å
148L70.6Confident63.6Low99 Ų99133.3 Ų133.352%0.51862%0.615SS.*Hα-helixtrans-65-36.7177.8-84148.2000111.6I144 P145 Q151 L152I144-L148 HydrophobicContact CG2-CB 3.48Å; I144-L148 VanDerWaalsContact CG2-CB 3.48Å; P145-L148 HydrophobicContact CB-CD1 4.36Å; P145-L148 HydrophobicContact CG-CD1 3.91Å; P145-L148 PolarHBondContact O-N 3.16Å; L148-Q151 PolarHBondContact O-N 2.94Å; L148-L152 WeakPolarHBondContact O-CG 3.03Å; L148-L152 PolarHBondContact O-N 2.82Å; L148-L152 VanDerWaalsContact O-N 3.16Å
149K69.1Low64.3Low121 Ų121138 Ų13853%0.52663%0.627SS.*Hα-helixtrans-60.7-45.6172.6-155.7175.4-168.1178.30110.5P145 Y146 I147 Q151 L152 Y153P145-K149 PolarHBondContact O-N 3.24Å; P145-K149 VanDerWaalsContact O-N 3.1Å; Y146-K149 PolarHBondContact O-N 3.21Å; I147-K149 VanDerWaalsContact C-N 3.31Å; I147-K149 PolarHBondContact O-N 3.29Å; K149-Q151 PolarHBondContact O-N 3.03Å; K149-L152 PolarHBondContact O-N 3.27Å; K149-Y153 HydrophobicContact CG-CD2 3.96Å; K149-Y153 HydrophobicContact CG-CE2 3.87Å; K149-Y153 VanDerWaalsContact O-CD2 3.24Å; K149-Y153 WeakPolarHBondContact O-CD2 3.33Å; K149-Y153 PolarHBondContact O-N 3.11Å
150R66.1Low64.9Low151 Ų151138.2 Ų138.257%0.5763%0.631SS**Hα-helixtrans-63.1-43.9-178.9-150.2-169.5-72.9-167.1-4.7112.2Y146 I147 L152 Y153 E154Y146-R150 PolarHBondContact O-N 3.31Å; I147-R150 PolarHBondContact O-N 3.3Å; I147-R150 VanDerWaalsContact O-N 3.15Å; R150-L152 VanDerWaalsContact C-N 3.32Å; R150-L152 PolarHBondContact O-N 3.4Å; R150-Y153 PolarHBondContact O-N 3.3Å; R150-E154 WeakPolarHBondContact CD-OE1 3.39Å; R150-E154 HydrophobicContact CG-CG 4.14Å; R150-E154 VanDerWaalsContact CG-OE1 3.22Å; R150-E154 WeakPolarHBondContact CG-OE1 3.36Å; R150-E154 WeakPolarHBondContact O-CB 3.32Å; R150-E154 VanDerWaalsContact O-CG 3.32Å; R150-E154 WeakPolarHBondContact O-CG 3.04Å; R150-E154 PolarHBondContact O-N 3.19Å
151Q68.1Low65.2Low112 Ų112142.2 Ų142.252%0.52364%0.641SS.*Hα-helixtrans-62.6-34.7177.8-64-65-54.800113.2I147 L148 K149 N155I147-Q151 WeakPolarHBondContact O-CG 3.24Å; I147-Q151 PolarHBondContact O-N 3.3Å; I147-Q151 VanDerWaalsContact O-N 3.1Å; L148-Q151 PolarHBondContact O-N 2.94Å; K149-Q151 PolarHBondContact O-N 3.03Å; Q151-N155 PolarHBondContact O-ND2 3.46Å
152L62.5Low65.7Low108 Ų108142.8 Ų142.857%0.56565%0.649SS**Hα-helixtrans-73.6-30.3177.2-75165.8000113.6L148 K149 R150L148-L152 WeakPolarHBondContact O-CG 3.03Å; L148-L152 PolarHBondContact O-N 2.82Å; L148-L152 VanDerWaalsContact O-N 3.16Å; K149-L152 PolarHBondContact O-N 3.27Å; R150-L152 VanDerWaalsContact C-N 3.32Å; R150-L152 PolarHBondContact O-N 3.4Å
153Y60.8Low65.7Low146 Ų146138.4 Ų138.457%0.57364%0.642SS**Hα-helixtrans-98.2-18.8-177.3-75.4-83.7000114.1K149 R150 N155K149-Y153 HydrophobicContact CG-CD2 3.96Å; K149-Y153 HydrophobicContact CG-CE2 3.87Å; K149-Y153 VanDerWaalsContact O-CD2 3.24Å; K149-Y153 WeakPolarHBondContact O-CD2 3.33Å; K149-Y153 PolarHBondContact O-N 3.11Å; R150-Y153 PolarHBondContact O-N 3.3Å; Y153-N155 VanDerWaalsContact C-N 3.31Å
154E60Low65.4Low116 Ų116137.3 Ų137.354%0.54264%0.637SS.*Hα-helixtrans-72.4-21.7175.8-80.5176.1173.900113.4R150 K156R150-E154 WeakPolarHBondContact CD-OE1 3.39Å; R150-E154 HydrophobicContact CG-CG 4.14Å; R150-E154 VanDerWaalsContact CG-OE1 3.22Å; R150-E154 WeakPolarHBondContact CG-OE1 3.36Å; R150-E154 WeakPolarHBondContact O-CB 3.32Å; R150-E154 VanDerWaalsContact O-CG 3.32Å; R150-E154 WeakPolarHBondContact O-CG 3.04Å; R150-E154 PolarHBondContact O-N 3.19Å; E154-K156 VanDerWaalsContact C-N 3.32Å; E154-K156 PolarHBondContact O-N 3.46Å
155N58.4Low65.1Low134 Ų134145.4 Ų145.472%0.71766%0.664SS**THydrogen-bonded Turntrans-85.33.1179-74.4-59.9000114.5Q151 Y153Q151-N155 PolarHBondContact O-ND2 3.46Å; Y153-N155 VanDerWaalsContact C-N 3.31Å
156K60.7Low63.9Low135 Ų135148 Ų14859%0.58767%0.674SS**SBendtrans-86122.3173.4-66-171.8-178.1-1730108.7E154 R158E154-K156 VanDerWaalsContact C-N 3.32Å; E154-K156 PolarHBondContact O-N 3.46Å; K156-R158 PolarHBondContact O-N 3.03Å
157P62.6Low63.6Low120 Ų120145.9 Ų145.978%0.77968%0.682SS**  trans-56.8116.217222.6-30.6000107.9R159P157-R159 PolarHBondContact O-N 2.98Å
158R65.8Low62.8Low241 Ų241150 Ų15091%0.90969%0.693SS**  trans-57.6114.9173.9-78.8-178.3168.3133.4-2.3106.8K156 P160K156-R158 PolarHBondContact O-N 3.03Å; R158-P160 WeakPolarHBondContact O-CD 3.42Å; R158-P160 VanDerWaalsContact O-N 3.15Å
159R68.6Low61.8Low235 Ų235155.3 Ų155.389%0.88771%0.708SS**PPolyproline II helixtrans-58121171.5-66-172.4-177.3-159.20.7106.3P157 Y161P157-R159 PolarHBondContact O-N 2.98Å; R159-Y161 PolarHBondContact O-N 2.86Å; R159-Y161 VanDerWaalsContact O-N 3.07Å
160P63.9Low60.8Low114 Ų114164.1 Ų164.174%0.7474%0.74SS**PPolyproline II helixtrans-58.6122.6174.823.3-29.8000106.4R158 I162R158-P160 WeakPolarHBondContact O-CD 3.42Å; R158-P160 VanDerWaalsContact O-N 3.15Å; P160-I162 PolarHBondContact O-N 3.06Å
161Y62.2Low60.5Low187 Ų187164.8 Ų164.873%0.73375%0.748SS**PPolyproline II helixtrans-59118167.543.6-87.1000105.5R159 L163R159-Y161 PolarHBondContact O-N 2.86Å; R159-Y161 VanDerWaalsContact O-N 3.07Å; Y161-L163 HydrophobicContact CD2-CD2 4Å; Y161-L163 HydrophobicContact CD2-CG 3.85Å; Y161-L163 HydrophobicContact CE2-CD1 4.26Å; Y161-L163 HydrophobicContact CE2-CD2 3.98Å; Y161-L163 HydrophobicContact CE2-CG 3.87Å; Y161-L163 PolarHBondContact O-N 3.07Å
162I65.4Low60.1Low161 Ų161167.6 Ų167.683%0.82676%0.76SS**  trans-62.4101.4165.5-62.9167.7000103.3P160 K164P160-I162 PolarHBondContact O-N 3.06Å; I162-K164 VanDerWaalsContact C-N 3.27Å; I162-K164 PolarHBondContact O-N 2.85Å
163L62.8Low60Low132 Ų132170.9 Ų170.969%0.69177%0.771SS**  trans-54.8104.1163.1-76.7164.9000104.6Y161 R165Y161-L163 HydrophobicContact CD2-CD2 4Å; Y161-L163 HydrophobicContact CD2-CG 3.85Å; Y161-L163 HydrophobicContact CE2-CD1 4.26Å; Y161-L163 HydrophobicContact CE2-CD2 3.98Å; Y161-L163 HydrophobicContact CE2-CG 3.87Å; Y161-L163 PolarHBondContact O-N 3.07Å; L163-R165 VanDerWaalsContact C-N 3.26Å; L163-R165 PolarHBondContact O-N 2.84Å
164K57.6Low59.9Low178 Ų178172.4 Ų172.477%0.77478%0.783SS**  trans-55.1105.5161.2-99.6-173.7173.5-177.20104.3I162 D166I162-K164 VanDerWaalsContact C-N 3.27Å; I162-K164 PolarHBondContact O-N 2.85Å; K164-D166 PolarHBondContact O-N 2.89Å
165R59.7Low59.9Low235 Ų235175.9 Ų175.989%0.88780%0.798SS**  trans-67.290163.9-73.7-177.6178.9122.6-2.6104.6L163 S167L163-R165 VanDerWaalsContact C-N 3.26Å; L163-R165 PolarHBondContact O-N 2.84Å; R165-S167 VanDerWaalsContact C-N 3.25Å; R165-S167 PolarHBondContact O-N 2.9Å
166D55.2Low60Low127 Ų127178.7 Ų178.768%0.67980%0.803SS**  trans-66.699.4157.8-70.5-26.7000104.9K164 Y168K164-D166 PolarHBondContact O-N 2.89Å; D166-Y168 HydrophobicContact CB-CD2 4.44Å; D166-Y168 PolarHBondContact O-N 3.03Å
167S60.6Low60Low117 Ų117181.8 Ų181.882%0.81882%0.819SS**  trans-71.382.3173.356.60000108.2R165R165-S167 VanDerWaalsContact C-N 3.25Å; R165-S167 PolarHBondContact O-N 2.9Å
168Y57.9Low59.8Low182 Ų182186.5 Ų186.571%0.71482%0.822SS**  trans-101.4118.4165-96.6-90.3000108.7D166D166-Y168 HydrophobicContact CB-CD2 4.44Å; D166-Y168 PolarHBondContact O-N 3.03Å
169Y49Very low59.3Low209 Ų209182 Ų18282%0.8281%0.814SS**  trans82.689.5170.4-49.6-73.6000117.7
170Y48.3Very low58.4Low307 Ų307177.2 Ų177.2100%1.20481%0.808SS**  -162.90106.8-141.9-92.1000110.5

Retrieved 170 of 170 residues in 26.6 ms (Link to these results)