A0A3Q0KQV4_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KQV4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 144 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
1M46.2Very low52.2Low130 Ų13081.7 Ų81.764%0.6442%0.415SS*.  0134.90-105.2168.848.900107.4K5 L41M1-K5 HydrophobicContact CB-CD 4.4Å; M1-K5 HydrophobicContact CE-CB 4.31Å; M1-K5 HydrophobicContact CE-CD 3.49Å; M1-K5 VanDerWaalsContact CE-CD 3.49Å; M1-K5 HydrophobicContact CG-CD 3.67Å; M1-K5 HydrophobicContact SD-CD 3.81Å; M1-K5 PolarHBondContact SD-NZ 3.42Å; M1-K5 VanDerWaalsContact SD-NZ 3.37Å; M1-L41 HydrophobicContact CE-CD2 3.36Å
2S45.2Very low53Low66 Ų6685.3 Ų85.346%0.46243%0.425SS..  trans-86.8157.5-17167.70000113.5V4 K5S2-V4 PolarHBondContact O-N 3.16Å; S2-K5 PolarHBondContact O-N 3.38Å
3L44.7Very low53.9Low82 Ų8279.4 Ų79.443%0.42940%0.396SS..Hα-helixtrans-44.8-23.1174.6-117147.6000113.8S6 K7 E45L3-S6 PolarHBondContact O-OG 3.33Å; L3-K7 WeakPolarHBondContact O-CB 3.47Å; L3-K7 WeakPolarHBondContact O-CG 3.24Å; L3-K7 PolarHBondContact O-N 3.25Å; L3-K7 VanDerWaalsContact O-N 3.13Å; L3-E45 VanDerWaalsContact CA-OE1 3.24Å; L3-E45 WeakPolarHBondContact CA-OE1 3.3Å; L3-E45 VanDerWaalsContact CA-OE2 3.32Å; L3-E45 WeakPolarHBondContact CA-OE2 3.26Å; L3-E45 WeakPolarHBondContact CB-OE1 3.44Å; L3-E45 WeakPolarHBondContact CG-OE1 3.25Å; L3-E45 PolarHBondContact N-OE1 3.46Å; L3-E45 PolarHBondContact N-OE2 3.04Å
4V50Low54.3Low103 Ų10385.5 Ų85.562%0.62441%0.412SS*.Hα-helixtrans-63.8-41.5173.8-176.10000111.3S2 L8S2-V4 PolarHBondContact O-N 3.16Å; V4-L8 VanDerWaalsContact O-CB 3.27Å; V4-L8 WeakPolarHBondContact O-CB 3.21Å; V4-L8 PolarHBondContact O-N 3.13Å
5K50.6Low55Low103 Ų10386 Ų8645%0.44841%0.414SS..Hα-helixtrans-71.9-40-179.9-70.6-163.3-172.6-178.80112.5M1 S2 L8 I9M1-K5 HydrophobicContact CB-CD 4.4Å; M1-K5 HydrophobicContact CE-CB 4.31Å; M1-K5 HydrophobicContact CE-CD 3.49Å; M1-K5 VanDerWaalsContact CE-CD 3.49Å; M1-K5 HydrophobicContact CG-CD 3.67Å; M1-K5 HydrophobicContact SD-CD 3.81Å; M1-K5 PolarHBondContact SD-NZ 3.42Å; M1-K5 VanDerWaalsContact SD-NZ 3.37Å; S2-K5 PolarHBondContact O-N 3.38Å; K5-L8 WeakPolarHBondContact O-CB 3.38Å; K5-L8 PolarHBondContact O-N 3.42Å; K5-I9 WeakPolarHBondContact O-CG1 3.29Å; K5-I9 PolarHBondContact O-N 2.94Å
6S47.5Very low55.5Low2 Ų285.3 Ų85.31%0.01441%0.409CS..Hα-helixtrans-64.6-44.9176.257.80000110.8L3 L8 I9 F10L3-S6 PolarHBondContact O-OG 3.33Å; S6-L8 VanDerWaalsContact C-N 3.34Å; S6-L8 PolarHBondContact O-N 3.32Å; S6-I9 PolarHBondContact O-N 3.47Å; S6-F10 WeakPolarHBondContact O-CD2 3.48Å; S6-F10 PolarHBondContact O-N 3.22Å
7K54.8Low55.4Low139 Ų13980.4 Ų80.460%0.60439%0.386SS*.Hα-helixtrans-57.7-43.3170.1-78.5-176.9178.4-179.50112.7L3 I9 F10 Q11L3-K7 WeakPolarHBondContact O-CB 3.47Å; L3-K7 WeakPolarHBondContact O-CG 3.24Å; L3-K7 PolarHBondContact O-N 3.25Å; L3-K7 VanDerWaalsContact O-N 3.13Å; K7-I9 VanDerWaalsContact C-N 3.31Å; K7-I9 PolarHBondContact O-N 2.86Å; K7-F10 PolarHBondContact O-N 2.98Å; K7-Q11 VanDerWaalsContact O-CB 3.3Å; K7-Q11 WeakPolarHBondContact O-CB 3.44Å; K7-Q11 PolarHBondContact O-N 3.08Å
8L58.6Low55.7Low81 Ų8180.6 Ų80.642%0.42439%0.386SS..Hα-helixtrans-62.6-38.7178-176.967.4000111.7V4 K5 S6 Q11 K12V4-L8 VanDerWaalsContact O-CB 3.27Å; V4-L8 WeakPolarHBondContact O-CB 3.21Å; V4-L8 PolarHBondContact O-N 3.13Å; K5-L8 WeakPolarHBondContact O-CB 3.38Å; K5-L8 PolarHBondContact O-N 3.42Å; S6-L8 VanDerWaalsContact C-N 3.34Å; S6-L8 PolarHBondContact O-N 3.32Å; L8-Q11 PolarHBondContact O-N 3.1Å; L8-K12 WeakPolarHBondContact O-CB 3.46Å; L8-K12 WeakPolarHBondContact O-CG 3.43Å; L8-K12 PolarHBondContact O-N 3.08Å
9I55.1Low55.9Low51 Ų5180.3 Ų80.326%0.26239%0.394SS..Hα-helixtrans-72.6-41178.8-70.1163.9000110.8K5 S6 K7 Q11 K12 L13 I38 L41K5-I9 WeakPolarHBondContact O-CG1 3.29Å; K5-I9 PolarHBondContact O-N 2.94Å; S6-I9 PolarHBondContact O-N 3.47Å; K7-I9 VanDerWaalsContact C-N 3.31Å; K7-I9 PolarHBondContact O-N 2.86Å; I9-Q11 VanDerWaalsContact C-N 3.29Å; I9-Q11 PolarHBondContact O-N 2.77Å; I9-K12 PolarHBondContact O-N 3.46Å; I9-L13 WeakPolarHBondContact O-CB 3.21Å; I9-L13 PolarHBondContact O-N 3.2Å; I9-I38 HydrophobicContact CB-CG1 4.44Å; I9-I38 HydrophobicContact CG2-CD1 4.08Å; I9-I38 HydrophobicContact CG2-CG1 3.55Å; I9-L41 HydrophobicContact CD1-CD1 3.06Å; I9-L41 HydrophobicContact CG1-CD1 4.43Å
10F58.7Low56Low38 Ų3879.2 Ų79.217%0.16739%0.387CS..Hα-helixtrans-56.5-45.9169.5-90.6-58.8000111.9S6 K7 L13 R14 I38 Y42 E115S6-F10 WeakPolarHBondContact O-CD2 3.48Å; S6-F10 PolarHBondContact O-N 3.22Å; K7-F10 PolarHBondContact O-N 2.98Å; F10-L13 PolarHBondContact O-N 2.87Å; F10-R14 VanDerWaalsContact O-CB 3.3Å; F10-R14 WeakPolarHBondContact O-CB 3.14Å; F10-R14 PolarHBondContact O-N 2.99Å; F10-I38 HydrophobicContact CD1-CD1 3.59Å; F10-I38 HydrophobicContact CD1-CG2 4.42Å; F10-I38 HydrophobicContact CD2-CG2 3.96Å; F10-I38 HydrophobicContact CE1-CD1 3.54Å; F10-I38 HydrophobicContact CE1-CG1 4.44Å; F10-I38 HydrophobicContact CE1-CG2 3.7Å; F10-I38 HydrophobicContact CE2-CG2 3.28Å; F10-I38 HydrophobicContact CG-CD1 4.09Å; F10-I38 HydrophobicContact CZ-CB 4.4Å; F10-I38 HydrophobicContact CZ-CD1 4.2Å; F10-I38 HydrophobicContact CZ-CG2 3.18Å; F10-Y42 HydrophobicContact CE2-CD2 4.49Å; F10-Y42 HydrophobicContact CE2-CE2 4.08Å; F10-E115 WeakPolarHBondContact CD1-OE1 3.35Å; F10-E115 HydrophobicContact CE1-CG 3.93Å; F10-E115 WeakPolarHBondContact CE1-OE1 3.42Å; F10-E115 WeakPolarHBondContact CE1-OE2 3.29Å; F10-E115 HydrophobicContact CZ-CG 4.27Å; F10-E115 VanDerWaalsContact CZ-OE2 3.31Å; F10-E115 WeakPolarHBondContact CZ-OE2 3.39Å
11Q62.5Low55.8Low104 Ų10484.2 Ų84.249%0.48640%0.402SS..Hα-helixtrans-62.2-46177.6-177.4174.9-8.200110.8K7 L8 I9 L13 R14 E15K7-Q11 VanDerWaalsContact O-CB 3.3Å; K7-Q11 WeakPolarHBondContact O-CB 3.44Å; K7-Q11 PolarHBondContact O-N 3.08Å; L8-Q11 PolarHBondContact O-N 3.1Å; I9-Q11 VanDerWaalsContact C-N 3.29Å; I9-Q11 PolarHBondContact O-N 2.77Å; Q11-L13 PolarHBondContact O-N 3.01Å; Q11-R14 CarbonylContact O-C 3.57Å; Q11-R14 WeakPolarHBondContact O-CB 2.99Å; Q11-R14 PolarHBondContact O-N 3.34Å; Q11-E15 HydrophobicContact CG-CG 4.32Å; Q11-E15 VanDerWaalsContact CG-OE1 3.31Å; Q11-E15 WeakPolarHBondContact CG-OE1 2.95Å; Q11-E15 PolarHBondContact NE2-OE1 2.91Å; Q11-E15 WeakPolarHBondContact O-CB 3.34Å; Q11-E15 VanDerWaalsContact O-CG 3.29Å; Q11-E15 WeakPolarHBondContact O-CG 3.33Å; Q11-E15 PolarHBondContact O-N 2.96Å
12K62.7Low55.9Low125 Ų12587.3 Ų87.354%0.54341%0.412SS..Hα-helixtrans-62.2-40.8175.6-78.8-176.3176.2-170.40112.8L8 I9 R14 E15 H16L8-K12 WeakPolarHBondContact O-CB 3.46Å; L8-K12 WeakPolarHBondContact O-CG 3.43Å; L8-K12 PolarHBondContact O-N 3.08Å; I9-K12 PolarHBondContact O-N 3.46Å; K12-R14 VanDerWaalsContact C-N 3.34Å; K12-E15 PolarHBondContact O-N 2.99Å; K12-H16 VanDerWaalsContact O-CB 3.23Å; K12-H16 WeakPolarHBondContact O-CB 3.38Å; K12-H16 PolarHBondContact O-N 2.99Å
13L64.3Low56.4Low8 Ų888.4 Ų88.44%0.04241%0.413CS..Hα-helixtrans-61.1-47.5174.7179.161.9000109.9I9 F10 Q11 H16 I17 Y30 C34 I38I9-L13 WeakPolarHBondContact O-CB 3.21Å; I9-L13 PolarHBondContact O-N 3.2Å; F10-L13 PolarHBondContact O-N 2.87Å; Q11-L13 PolarHBondContact O-N 3.01Å; L13-H16 PolarHBondContact O-N 3.47Å; L13-I17 HydrophobicContact CD1-CD1 3.83Å; L13-I17 HydrophobicContact CD1-CG1 4.34Å; L13-I17 HydrophobicContact CG-CD1 3.85Å; L13-I17 VanDerWaalsContact O-CB 3.3Å; L13-I17 WeakPolarHBondContact O-CB 3.27Å; L13-I17 WeakPolarHBondContact O-CD1 3.42Å; L13-I17 WeakPolarHBondContact O-CG1 3.47Å; L13-I17 PolarHBondContact O-N 2.83Å; L13-Y30 HydrophobicContact CD1-CE1 4.23Å; L13-C34 HydrophobicContact CD1-CB 3.44Å; L13-C34 VanDerWaalsContact CD1-CB 3.44Å; L13-C34 VanDerWaalsContact CD1-SG 3.59Å; L13-C34 HydrophobicContact CD2-CB 3.77Å; L13-C34 HydrophobicContact CG-CB 4.17Å; L13-I38 HydrophobicContact CD2-CD1 3.88Å
14R60Low57Low165 Ų16591 Ų9162%0.62343%0.427SS*.Hα-helixtrans-62.7-43.4178.1-164.5-177.8-165.6-1623.8111.7F10 Q11 K12 Q18F10-R14 VanDerWaalsContact O-CB 3.3Å; F10-R14 WeakPolarHBondContact O-CB 3.14Å; F10-R14 PolarHBondContact O-N 2.99Å; Q11-R14 CarbonylContact O-C 3.57Å; Q11-R14 WeakPolarHBondContact O-CB 2.99Å; Q11-R14 PolarHBondContact O-N 3.34Å; K12-R14 VanDerWaalsContact C-N 3.34Å; R14-Q18 VanDerWaalsContact O-CB 3.28Å; R14-Q18 WeakPolarHBondContact O-CB 3.36Å; R14-Q18 WeakPolarHBondContact O-CG 3.35Å; R14-Q18 PolarHBondContact O-N 2.8Å
15E64.6Low57.3Low93 Ų9389.4 Ų89.444%0.43542%0.418SS..Hα-helixtrans-65.2-43.1176.5-77.9172.5-173.700111.3Q11 K12 Q18 S19Q11-E15 HydrophobicContact CG-CG 4.32Å; Q11-E15 VanDerWaalsContact CG-OE1 3.31Å; Q11-E15 WeakPolarHBondContact CG-OE1 2.95Å; Q11-E15 PolarHBondContact NE2-OE1 2.91Å; Q11-E15 WeakPolarHBondContact O-CB 3.34Å; Q11-E15 VanDerWaalsContact O-CG 3.29Å; Q11-E15 WeakPolarHBondContact O-CG 3.33Å; Q11-E15 PolarHBondContact O-N 2.96Å; K12-E15 PolarHBondContact O-N 2.99Å; E15-Q18 CarbonylContact O-C 3.59Å; E15-Q18 PolarHBondContact O-N 3.34Å; E15-S19 WeakPolarHBondContact O-CB 2.88Å; E15-S19 PolarHBondContact O-N 2.98Å
16H61.9Low57.7Low75 Ų7584.5 Ų84.535%0.34740%0.397SS..Hα-helixtrans-64.2-46.3177.9-166.764.2000110.7K12 L13 Q18 S19 E20 Y30K12-H16 VanDerWaalsContact O-CB 3.23Å; K12-H16 WeakPolarHBondContact O-CB 3.38Å; K12-H16 PolarHBondContact O-N 2.99Å; L13-H16 PolarHBondContact O-N 3.47Å; H16-Q18 VanDerWaalsContact C-N 3.32Å; H16-Q18 PolarHBondContact O-N 2.8Å; H16-S19 WeakPolarHBondContact CA-OG 3.37Å; H16-S19 WeakPolarHBondContact O-CB 3.38Å; H16-S19 PolarHBondContact O-N 3.4Å; H16-S19 PolarHBondContact O-OG 2.86Å; H16-E20 PolarHBondContact O-N 3.05Å; H16-Y30 AromaticContact CD2-CE1 3.86Å; H16-Y30 AromaticContact CD2-CZ 3.89Å; H16-Y30 PolarHBondContact CD2-OH 3.34Å
17I55.3Low58.4Low2 Ų287.5 Ų87.51%0.0141%0.413CS..Hα-helixtrans-58.4-45.5172.6-71.9171.5000110.1L13 S19 E20 L26 R105 I112L13-I17 HydrophobicContact CD1-CD1 3.83Å; L13-I17 HydrophobicContact CD1-CG1 4.34Å; L13-I17 HydrophobicContact CG-CD1 3.85Å; L13-I17 VanDerWaalsContact O-CB 3.3Å; L13-I17 WeakPolarHBondContact O-CB 3.27Å; L13-I17 WeakPolarHBondContact O-CD1 3.42Å; L13-I17 WeakPolarHBondContact O-CG1 3.47Å; L13-I17 PolarHBondContact O-N 2.83Å; I17-S19 VanDerWaalsContact C-N 3.31Å; I17-S19 PolarHBondContact O-N 2.86Å; I17-E20 PolarHBondContact O-N 3.37Å; I17-L26 HydrophobicContact CG1-CD1 4.42Å; I17-L26 HydrophobicContact CG1-CD2 3.92Å; I17-L26 HydrophobicContact CG2-CD1 3.91Å; I17-R105 PolarHBondContact O-NH1 3.46Å; I17-R105 PolarHBondContact O-NH2 2.97Å; I17-I112 HydrophobicContact CD1-CD1 3.11Å; I17-I112 HydrophobicContact CD1-CG1 4.49Å
18Q60.3Low58.5Low83 Ų8381.3 Ų81.339%0.38839%0.386SS..Hα-helixtrans-63.2-32174-76.1177.42.300113.7R14 E15 H16 R21 R105R14-Q18 VanDerWaalsContact O-CB 3.28Å; R14-Q18 WeakPolarHBondContact O-CB 3.36Å; R14-Q18 WeakPolarHBondContact O-CG 3.35Å; R14-Q18 PolarHBondContact O-N 2.8Å; E15-Q18 CarbonylContact O-C 3.59Å; E15-Q18 PolarHBondContact O-N 3.34Å; H16-Q18 VanDerWaalsContact C-N 3.32Å; H16-Q18 PolarHBondContact O-N 2.8Å; Q18-R21 WeakPolarHBondContact O-CB 3.09Å; Q18-R21 WeakPolarHBondContact O-CD 3.45Å; Q18-R21 WeakPolarHBondContact O-CG 3.36Å; Q18-R21 PolarHBondContact O-N 2.93Å; Q18-R105 VanDerWaalsContact CA-NH2 3.29Å
19S60Low58.3Low76 Ų7684.4 Ų84.453%0.53140%0.399SS..Hα-helixtrans-73.1-33.2176.978.20000111.7E15 H16 I17 R21E15-S19 WeakPolarHBondContact O-CB 2.88Å; E15-S19 PolarHBondContact O-N 2.98Å; H16-S19 WeakPolarHBondContact CA-OG 3.37Å; H16-S19 WeakPolarHBondContact O-CB 3.38Å; H16-S19 PolarHBondContact O-N 3.4Å; H16-S19 PolarHBondContact O-OG 2.86Å; I17-S19 VanDerWaalsContact C-N 3.31Å; I17-S19 PolarHBondContact O-N 2.86Å; S19-R21 PolarHBondContact O-N 3.15Å
20E56.6Low58.5Low57 Ų5786.6 Ų86.627%0.26640%0.404SS..THydrogen-bonded Turntrans-73.830168.7-70.3-16614400112.6H16 I17 F22 N23 L26 R105H16-E20 PolarHBondContact O-N 3.05Å; I17-E20 PolarHBondContact O-N 3.37Å; E20-F22 PolarHBondContact O-N 3.41Å; E20-N23 PolarHBondContact O-N 3.08Å; E20-L26 VanDerWaalsContact OE2-CD2 3.23Å; E20-L26 WeakPolarHBondContact OE2-CD2 3.44Å; E20-R105 PolarHBondContact O-NH1 3.49Å
21R51.7Low58.6Low186 Ų18684.9 Ų84.970%0.70240%0.397SS*.THydrogen-bonded Turntrans-50.2-23.7177.2-109.4168.4-168.6-157.85.7114.3Q18 S19Q18-R21 WeakPolarHBondContact O-CB 3.09Å; Q18-R21 WeakPolarHBondContact O-CD 3.45Å; Q18-R21 WeakPolarHBondContact O-CG 3.36Å; Q18-R21 PolarHBondContact O-N 2.93Å; S19-R21 PolarHBondContact O-N 3.15Å
22F49.5Very low58.6Low195 Ų19580.4 Ų80.486%0.85538%0.377SS*.THydrogen-bonded Turntrans-91-10.2-179.3-60.7-74.9000114.4E20E20-F22 PolarHBondContact O-N 3.41Å
23N54.2Low58.5Low89 Ų8982.3 Ų82.348%0.47638%0.38SS..  trans-100.3103.9175.2-82.8-19.4000109.6E20 T25E20-N23 PolarHBondContact O-N 3.08Å; N23-T25 PolarHBondContact O-N 3.32Å; N23-T25 VanDerWaalsContact O-N 3.08Å
24D59.3Low58.2Low135 Ų13582.5 Ų82.572%0.72238%0.382SS*.SBendtrans-62.8-13.2173.9-74.3-34.7000112.9P104 R105D24-P104 WeakPolarHBondContact O-CA 3.38Å; D24-R105 PolarHBondContact O-N 3.42Å
25T54.9Low58.5Low70 Ų7074.7 Ų74.743%0.42935%0.352SS..EExtended strand (participates in β ladder)trans-123.4125179.366.30000111.3N23 K103N23-T25 PolarHBondContact O-N 3.32Å; N23-T25 VanDerWaalsContact O-N 3.08Å; T25-K103 VanDerWaalsContact CA-O 3.29Å; T25-K103 WeakPolarHBondContact CA-O 3.32Å
26L60.2Low58.4Low1 Ų173.5 Ų73.51%0.00535%0.347CS..EExtended strand (participates in β ladder)trans-99.7140.5173.4-93.8139.5000110I17 E20 V28 V31 S102 K103 R105 C108I17-L26 HydrophobicContact CG1-CD1 4.42Å; I17-L26 HydrophobicContact CG1-CD2 3.92Å; I17-L26 HydrophobicContact CG2-CD1 3.91Å; E20-L26 VanDerWaalsContact OE2-CD2 3.23Å; E20-L26 WeakPolarHBondContact OE2-CD2 3.44Å; L26-V28 PolarHBondContact O-N 2.73Å; L26-V31 HydrophobicContact CB-CG2 4.37Å; L26-V31 HydrophobicContact CD2-CG2 4.18Å; L26-S102 WeakPolarHBondContact O-CA 3.23Å; L26-K103 PolarHBondContact N-O 2.78Å; L26-K103 PolarHBondContact O-N 3.43Å; L26-R105 HydrophobicContact CD1-CB 4.15Å; L26-R105 HydrophobicContact CD1-CG 3.83Å; L26-C108 HydrophobicContact CB-CB 4.25Å; L26-C108 HydrophobicContact CD1-CB 4.06Å
27N60.5Low58.3Low65 Ų6574.1 Ų74.135%0.34835%0.35SS..EExtended strand (participates in β ladder)trans-67.5116.3172.8-174.9-22.7000109.2E29 Y30 V31 I101N27-E29 VanDerWaalsContact C-N 3.26Å; N27-E29 PolarHBondContact O-N 2.78Å; N27-E29 VanDerWaalsContact OD1-CB 3.25Å; N27-E29 WeakPolarHBondContact OD1-CB 3.28Å; N27-E29 PolarHBondContact OD1-N 3.33Å; N27-Y30 WeakPolarHBondContact O-CB 3.48Å; N27-Y30 PolarHBondContact O-N 3.2Å; N27-V31 PolarHBondContact O-N 3.32Å; N27-I101 VanDerWaalsContact CA-O 3.28Å; N27-I101 WeakPolarHBondContact CA-O 3.28Å; N27-I101 PolarHBondContact OD1-O 2.83Å; N27-I101 VanDerWaalsContact OD1-O 3.11Å
28V57.8Low58.4Low9 Ų974.2 Ų74.26%0.05535%0.35CS..Hα-helixtrans-62.4-38-177.6179.10000110.6L26 Y30 V31 L32 L97 I101 K103L26-V28 PolarHBondContact O-N 2.73Å; V28-Y30 VanDerWaalsContact C-N 3.28Å; V28-Y30 PolarHBondContact O-N 2.95Å; V28-V31 PolarHBondContact O-N 3.25Å; V28-L32 HydrophobicContact CG1-CD1 3.76Å; V28-L32 HydrophobicContact CG1-CG 3.98Å; V28-L32 WeakPolarHBondContact O-CB 3.48Å; V28-L32 WeakPolarHBondContact O-CG 3.3Å; V28-L32 PolarHBondContact O-N 3.41Å; V28-L97 HydrophobicContact CG1-CD2 4.27Å; V28-I101 PolarHBondContact N-O 3.43Å; V28-K103 HydrophobicContact CG2-CB 3.6Å; V28-K103 HydrophobicContact CG2-CG 3.3Å
29E55.2Low58.5Low146 Ų14672.5 Ų72.568%0.68234%0.34SS*.Hα-helixtrans-60.7-39.9178.5-171.8172.6-168.400111.6N27 L32 R33N27-E29 VanDerWaalsContact C-N 3.26Å; N27-E29 PolarHBondContact O-N 2.78Å; N27-E29 VanDerWaalsContact OD1-CB 3.25Å; N27-E29 WeakPolarHBondContact OD1-CB 3.28Å; N27-E29 PolarHBondContact OD1-N 3.33Å; E29-L32 PolarHBondContact O-N 3.45Å; E29-R33 WeakPolarHBondContact O-CB 3.32Å; E29-R33 PolarHBondContact O-N 3.43Å
30Y58.7Low58.4Low96 Ų9671.9 Ų71.938%0.37633%0.329SS..Hα-helixtrans-64.4-49.5175.9-179.2-97.7000111.5L13 H16 N27 V28 L32 R33 C34L13-Y30 HydrophobicContact CD1-CE1 4.23Å; H16-Y30 AromaticContact CD2-CE1 3.86Å; H16-Y30 AromaticContact CD2-CZ 3.89Å; H16-Y30 PolarHBondContact CD2-OH 3.34Å; N27-Y30 WeakPolarHBondContact O-CB 3.48Å; N27-Y30 PolarHBondContact O-N 3.2Å; V28-Y30 VanDerWaalsContact C-N 3.28Å; V28-Y30 PolarHBondContact O-N 2.95Å; Y30-L32 VanDerWaalsContact C-N 3.31Å; Y30-L32 PolarHBondContact O-N 2.91Å; Y30-R33 WeakPolarHBondContact O-CB 3.25Å; Y30-R33 PolarHBondContact O-N 3.09Å; Y30-R33 VanDerWaalsContact O-N 3.14Å; Y30-C34 VanDerWaalsContact CZ-SG 3.59Å; Y30-C34 PolarHBondContact O-N 3.45Å; Y30-C34 PolarHBondContact O-SG 3.17Å; Y30-C34 VanDerWaalsContact O-SG 3.36Å
31V60.6Low58.3Low3 Ų371.1 Ų71.12%0.01833%0.326CS..Hα-helixtrans-59-44.4177.9177.60000110.9L26 N27 V28 R33 C34 L35 C108 I112L26-V31 HydrophobicContact CB-CG2 4.37Å; L26-V31 HydrophobicContact CD2-CG2 4.18Å; N27-V31 PolarHBondContact O-N 3.32Å; V28-V31 PolarHBondContact O-N 3.25Å; V31-R33 VanDerWaalsContact C-N 3.34Å; V31-R33 PolarHBondContact O-N 2.89Å; V31-C34 PolarHBondContact O-N 2.84Å; V31-L35 HydrophobicContact CG1-CD1 3.98Å; V31-L35 HydrophobicContact CG1-CG 4.39Å; V31-L35 WeakPolarHBondContact O-CB 3.16Å; V31-L35 VanDerWaalsContact O-CG 3.25Å; V31-L35 WeakPolarHBondContact O-CG 3.18Å; V31-L35 PolarHBondContact O-N 3.5Å; V31-C108 HydrophobicContact CG2-CB 4.39Å; V31-I112 HydrophobicContact CG1-CD1 4.5Å; V31-I112 HydrophobicContact CG1-CG1 4.44Å
32L62.9Low58.3Low10 Ų1064.6 Ų64.65%0.05230%0.302CS..Hα-helixtrans-63.2-38.9177.5-67.6175.3000112.2V28 E29 Y30 L35 H36 I122 Y125V28-L32 HydrophobicContact CG1-CD1 3.76Å; V28-L32 HydrophobicContact CG1-CG 3.98Å; V28-L32 WeakPolarHBondContact O-CB 3.48Å; V28-L32 WeakPolarHBondContact O-CG 3.3Å; V28-L32 PolarHBondContact O-N 3.41Å; E29-L32 PolarHBondContact O-N 3.45Å; Y30-L32 VanDerWaalsContact C-N 3.31Å; Y30-L32 PolarHBondContact O-N 2.91Å; L32-L35 PolarHBondContact O-N 3.15Å; L32-H36 WeakPolarHBondContact O-CB 3.28Å; L32-H36 PolarHBondContact O-N 3.35Å; L32-I122 HydrophobicContact CB-CG2 4.41Å; L32-I122 HydrophobicContact CD2-CB 4.01Å; L32-I122 HydrophobicContact CD2-CD1 3.68Å; L32-I122 HydrophobicContact CD2-CG1 3.47Å; L32-I122 VanDerWaalsContact CD2-CG1 3.47Å; L32-I122 HydrophobicContact CD2-CG2 3.55Å; L32-Y125 HydrophobicContact CD1-CD1 4.28Å; L32-Y125 HydrophobicContact CD1-CE1 4.4Å
33R60.2Low58.6Low165 Ų16559.1 Ų59.162%0.62328%0.276SS*.Hα-helixtrans-64.7-45176-176.5177175.5166.23111.5E29 Y30 V31 L35 H36 E37E29-R33 WeakPolarHBondContact O-CB 3.32Å; E29-R33 PolarHBondContact O-N 3.43Å; Y30-R33 WeakPolarHBondContact O-CB 3.25Å; Y30-R33 PolarHBondContact O-N 3.09Å; Y30-R33 VanDerWaalsContact O-N 3.14Å; V31-R33 VanDerWaalsContact C-N 3.34Å; V31-R33 PolarHBondContact O-N 2.89Å; R33-L35 VanDerWaalsContact C-N 3.35Å; R33-L35 PolarHBondContact O-N 3.09Å; R33-H36 WeakPolarHBondContact O-CB 3.45Å; R33-H36 PolarHBondContact O-N 3.18Å; R33-E37 IonicContact NE-OE1 3.66Å; R33-E37 PolarHBondContact NE-OE1 3.39Å; R33-E37 PolarHBondContact O-N 3.19Å
34C58.7Low58.4Low11 Ų1159.7 Ų59.77%0.07428%0.276CS..Hα-helixtrans-63.3-42.2176.4-640000111.8L13 Y30 V31 H36 E37 I38L13-C34 HydrophobicContact CD1-CB 3.44Å; L13-C34 VanDerWaalsContact CD1-CB 3.44Å; L13-C34 VanDerWaalsContact CD1-SG 3.59Å; L13-C34 HydrophobicContact CD2-CB 3.77Å; L13-C34 HydrophobicContact CG-CB 4.17Å; Y30-C34 VanDerWaalsContact CZ-SG 3.59Å; Y30-C34 PolarHBondContact O-N 3.45Å; Y30-C34 PolarHBondContact O-SG 3.17Å; Y30-C34 VanDerWaalsContact O-SG 3.36Å; V31-C34 PolarHBondContact O-N 2.84Å; C34-H36 VanDerWaalsContact C-N 3.31Å; C34-H36 PolarHBondContact O-N 2.96Å; C34-E37 PolarHBondContact O-N 3.02Å; C34-I38 WeakPolarHBondContact O-CB 3.36Å; C34-I38 WeakPolarHBondContact O-CD1 3.31Å; C34-I38 WeakPolarHBondContact O-CG1 2.96Å; C34-I38 PolarHBondContact O-N 2.98Å
35L64.9Low57.7Low1 Ų155 Ų551%0.00525%0.25CC..Hα-helixtrans-60.7-40.8174.1-73.4176.5000111.6V31 L32 R33 I38 R39 E115 M119 I122V31-L35 HydrophobicContact CG1-CD1 3.98Å; V31-L35 HydrophobicContact CG1-CG 4.39Å; V31-L35 WeakPolarHBondContact O-CB 3.16Å; V31-L35 VanDerWaalsContact O-CG 3.25Å; V31-L35 WeakPolarHBondContact O-CG 3.18Å; V31-L35 PolarHBondContact O-N 3.5Å; L32-L35 PolarHBondContact O-N 3.15Å; R33-L35 VanDerWaalsContact C-N 3.35Å; R33-L35 PolarHBondContact O-N 3.09Å; L35-I38 PolarHBondContact O-N 3.09Å; L35-R39 PolarHBondContact O-N 3.2Å; L35-E115 HydrophobicContact CD2-CG 3.57Å; L35-M119 HydrophobicContact CB-CE 3.63Å; L35-M119 HydrophobicContact CD2-CE 3.74Å; L35-M119 HydrophobicContact CG-CE 4.19Å; L35-M119 WeakPolarHBondContact O-CE 3.49Å; L35-I122 HydrophobicContact CD1-CD1 3.54Å
36H63.8Low57.1Low68 Ų6856.2 Ų56.232%0.31525%0.253SS..Hα-helixtrans-63-47.5174.5-176.6-80000112.3L32 R33 C34 I38 R39 E40 L126L32-H36 WeakPolarHBondContact O-CB 3.28Å; L32-H36 PolarHBondContact O-N 3.35Å; R33-H36 WeakPolarHBondContact O-CB 3.45Å; R33-H36 PolarHBondContact O-N 3.18Å; C34-H36 VanDerWaalsContact C-N 3.31Å; C34-H36 PolarHBondContact O-N 2.96Å; H36-I38 VanDerWaalsContact C-N 3.32Å; H36-I38 PolarHBondContact O-N 2.89Å; H36-R39 WeakPolarHBondContact O-CB 3.36Å; H36-R39 PolarHBondContact O-N 3.11Å; H36-R39 VanDerWaalsContact O-N 3.16Å; H36-E40 IonicContact CE1-OE1 3.97Å; H36-E40 WeakPolarHBondContact O-CG 2.99Å; H36-E40 PolarHBondContact O-N 3.2Å; H36-L126 HydrophobicContact CB-CD1 4.19Å
37E59.9Low56.3Low89 Ų8959.5 Ų59.542%0.41627%0.273SS..Hα-helixtrans-59.4-44177.5-74.9175-16700111.5R33 C34 R39 E40 L41R33-E37 IonicContact NE-OE1 3.66Å; R33-E37 PolarHBondContact NE-OE1 3.39Å; R33-E37 PolarHBondContact O-N 3.19Å; C34-E37 PolarHBondContact O-N 3.02Å; E37-R39 VanDerWaalsContact C-N 3.31Å; E37-R39 PolarHBondContact O-N 2.83Å; E37-E40 PolarHBondContact O-N 2.81Å; E37-L41 WeakPolarHBondContact O-CG 3.47Å; E37-L41 PolarHBondContact O-N 2.9Å
38I56.9Low55.7Low3 Ų361 Ų612%0.01528%0.28CS..Hα-helixtrans-60.2-41.9175.5-72166.1000111.6I9 F10 L13 C34 L35 H36 L41 Y42I9-I38 HydrophobicContact CB-CG1 4.44Å; I9-I38 HydrophobicContact CG2-CD1 4.08Å; I9-I38 HydrophobicContact CG2-CG1 3.55Å; F10-I38 HydrophobicContact CD1-CD1 3.59Å; F10-I38 HydrophobicContact CD1-CG2 4.42Å; F10-I38 HydrophobicContact CD2-CG2 3.96Å; F10-I38 HydrophobicContact CE1-CD1 3.54Å; F10-I38 HydrophobicContact CE1-CG1 4.44Å; F10-I38 HydrophobicContact CE1-CG2 3.7Å; F10-I38 HydrophobicContact CE2-CG2 3.28Å; F10-I38 HydrophobicContact CG-CD1 4.09Å; F10-I38 HydrophobicContact CZ-CB 4.4Å; F10-I38 HydrophobicContact CZ-CD1 4.2Å; F10-I38 HydrophobicContact CZ-CG2 3.18Å; L13-I38 HydrophobicContact CD2-CD1 3.88Å; C34-I38 WeakPolarHBondContact O-CB 3.36Å; C34-I38 WeakPolarHBondContact O-CD1 3.31Å; C34-I38 WeakPolarHBondContact O-CG1 2.96Å; C34-I38 PolarHBondContact O-N 2.98Å; L35-I38 PolarHBondContact O-N 3.09Å; H36-I38 VanDerWaalsContact C-N 3.32Å; H36-I38 PolarHBondContact O-N 2.89Å; I38-L41 WeakPolarHBondContact O-CB 3.49Å; I38-L41 PolarHBondContact O-N 3.01Å; I38-Y42 HydrophobicContact CG2-CD2 4.48Å; I38-Y42 PolarHBondContact O-N 2.68Å
39R61.4Low54.8Low48 Ų4861.9 Ų61.918%0.18129%0.292CS..Hα-helixtrans-62.4-48.8175.5176-173.9173-100.64.9111.3L35 H36 E37 L41 Y42 Y43 M119L35-R39 PolarHBondContact O-N 3.2Å; H36-R39 WeakPolarHBondContact O-CB 3.36Å; H36-R39 PolarHBondContact O-N 3.11Å; H36-R39 VanDerWaalsContact O-N 3.16Å; E37-R39 VanDerWaalsContact C-N 3.31Å; E37-R39 PolarHBondContact O-N 2.83Å; R39-L41 PolarHBondContact O-N 2.7Å; R39-Y42 CarbonylContact O-C 3.57Å; R39-Y42 PolarHBondContact O-N 3.05Å; R39-Y42 VanDerWaalsContact O-N 3.1Å; R39-Y43 WeakPolarHBondContact O-CB 3.21Å; R39-Y43 PolarHBondContact O-N 3.39Å; R39-M119 HydrophobicContact CB-SD 4.05Å
40E59.8Low54Low63 Ų6360.3 Ų60.329%0.29429%0.287SS..Hα-helixtrans-57.6-37.8178.5-71.1-58117.400110.7H36 E37 Y43 H44H36-E40 IonicContact CE1-OE1 3.97Å; H36-E40 WeakPolarHBondContact O-CG 2.99Å; H36-E40 PolarHBondContact O-N 3.2Å; E37-E40 PolarHBondContact O-N 2.81Å; E40-Y43 PolarHBondContact O-N 3.42Å; E40-H44 VanDerWaalsContact O-CB 3.31Å; E40-H44 WeakPolarHBondContact O-CB 3.25Å; E40-H44 PolarHBondContact O-CD2 3.4Å; E40-H44 PolarHBondContact O-N 3.42Å
41L53.5Low53Low40 Ų4061.1 Ų61.121%0.20930%0.302CS..Hα-helixtrans-68.2-42.9175.1-66.6175.8000113.1M1 I9 E37 I38 R39 Y43 E45M1-L41 HydrophobicContact CE-CD2 3.36Å; I9-L41 HydrophobicContact CD1-CD1 3.06Å; I9-L41 HydrophobicContact CG1-CD1 4.43Å; E37-L41 WeakPolarHBondContact O-CG 3.47Å; E37-L41 PolarHBondContact O-N 2.9Å; I38-L41 WeakPolarHBondContact O-CB 3.49Å; I38-L41 PolarHBondContact O-N 3.01Å; R39-L41 PolarHBondContact O-N 2.7Å; L41-Y43 VanDerWaalsContact C-N 3.35Å; L41-E45 VanDerWaalsContact O-CB 3.31Å; L41-E45 WeakPolarHBondContact O-CB 3.49Å; L41-E45 PolarHBondContact O-N 2.93Å
42Y52.2Low51.8Low50 Ų5065.8 Ų65.820%0.19634%0.335CS..Hα-helixtrans-65.8-37.3174.9-113.5-82.2000112.1F10 I38 R39 E45 L46 W116F10-Y42 HydrophobicContact CE2-CD2 4.49Å; F10-Y42 HydrophobicContact CE2-CE2 4.08Å; I38-Y42 HydrophobicContact CG2-CD2 4.48Å; I38-Y42 PolarHBondContact O-N 2.68Å; R39-Y42 CarbonylContact O-C 3.57Å; R39-Y42 PolarHBondContact O-N 3.05Å; R39-Y42 VanDerWaalsContact O-N 3.1Å; Y42-E45 PolarHBondContact O-N 3.13Å; Y42-L46 HydrophobicContact CD1-CD1 3.86Å; Y42-L46 HydrophobicContact CD1-CG 4.46Å; Y42-L46 VanDerWaalsContact O-CB 3.31Å; Y42-L46 WeakPolarHBondContact O-CB 3.41Å; Y42-L46 PolarHBondContact O-N 2.93Å; Y42-W116 AromaticContact CD1-CH2 3.85Å; Y42-W116 HydrophobicContact CD1-CH2 3.85Å; Y42-W116 HydrophobicContact CD2-CH2 4.19Å; Y42-W116 AromaticContact CE1-CH2 3.66Å; Y42-W116 HydrophobicContact CE1-CH2 3.66Å; Y42-W116 HydrophobicContact CE1-CZ2 4.36Å; Y42-W116 HydrophobicContact CE2-CH2 4.02Å; Y42-W116 HydrophobicContact CE2-CZ2 4.3Å; Y42-W116 HydrophobicContact CG-CH2 4.1Å; Y42-W116 AromaticContact CZ-CH2 3.74Å
43Y54.3Low50.2Low79 Ų7970.7 Ų70.731%0.3137%0.365SS..Hα-helixtrans-70.5-45.1177.5-174.7-92.5000110.9R39 E40 L41 E45 L46 V47 I76R39-Y43 WeakPolarHBondContact O-CB 3.21Å; R39-Y43 PolarHBondContact O-N 3.39Å; E40-Y43 PolarHBondContact O-N 3.42Å; L41-Y43 VanDerWaalsContact C-N 3.35Å; Y43-E45 PolarHBondContact O-N 3.45Å; Y43-L46 PolarHBondContact O-N 3.28Å; Y43-V47 HydrophobicContact CD1-CB 4.32Å; Y43-V47 HydrophobicContact CD1-CG2 4.26Å; Y43-V47 HydrophobicContact CD2-CG2 3.68Å; Y43-V47 HydrophobicContact CE1-CB 4.03Å; Y43-V47 HydrophobicContact CE1-CG1 4.22Å; Y43-V47 HydrophobicContact CE1-CG2 4.03Å; Y43-V47 HydrophobicContact CE2-CB 4.34Å; Y43-V47 HydrophobicContact CE2-CG2 3.44Å; Y43-V47 VanDerWaalsContact CE2-CG2 3.44Å; Y43-V47 HydrophobicContact CG-CG2 4.09Å; Y43-V47 WeakPolarHBondContact O-CA 3.46Å; Y43-V47 VanDerWaalsContact O-CB 3.23Å; Y43-V47 WeakPolarHBondContact O-CB 3.07Å; Y43-V47 PolarHBondContact O-N 3.36Å; Y43-I76 HydrophobicContact CE2-CD1 4.35Å
44H51Low48.9Very low102 Ų10268.5 Ų68.547%0.47238%0.375SS..Hα-helixtrans-59-35.3171.4-86.9-63.5000111.7E40 L48 G49E40-H44 VanDerWaalsContact O-CB 3.31Å; E40-H44 WeakPolarHBondContact O-CB 3.25Å; E40-H44 PolarHBondContact O-CD2 3.4Å; E40-H44 PolarHBondContact O-N 3.42Å; H44-L48 WeakPolarHBondContact ND1-CD1 3.35Å; H44-L48 CarbonylContact O-C 3.44Å; H44-L48 VanDerWaalsContact O-CA 3.32Å; H44-L48 WeakPolarHBondContact O-CA 3.17Å; H44-L48 WeakPolarHBondContact O-CB 3.41Å; H44-L48 PolarHBondContact O-N 2.95Å; H44-G49 PolarHBondContact O-N 3.37Å; H44-G49 VanDerWaalsContact O-N 3.07Å
45E45Very low47.6Very low35 Ų3572.9 Ų72.916%0.16441%0.406CS..Hα-helixtrans-75.8-46.6177.2-172.1172.2-174.500113.4L3 L41 Y42 Y43 G49L3-E45 VanDerWaalsContact CA-OE1 3.24Å; L3-E45 WeakPolarHBondContact CA-OE1 3.3Å; L3-E45 VanDerWaalsContact CA-OE2 3.32Å; L3-E45 WeakPolarHBondContact CA-OE2 3.26Å; L3-E45 WeakPolarHBondContact CB-OE1 3.44Å; L3-E45 WeakPolarHBondContact CG-OE1 3.25Å; L3-E45 PolarHBondContact N-OE1 3.46Å; L3-E45 PolarHBondContact N-OE2 3.04Å; L41-E45 VanDerWaalsContact O-CB 3.31Å; L41-E45 WeakPolarHBondContact O-CB 3.49Å; L41-E45 PolarHBondContact O-N 2.93Å; Y42-E45 PolarHBondContact O-N 3.13Å; Y43-E45 PolarHBondContact O-N 3.45Å; E45-G49 CarbonylContact O-C 3.59Å; E45-G49 WeakPolarHBondContact O-CA 3.19Å; E45-G49 PolarHBondContact O-N 3.34Å
46L42.9Very low46.3Very low97 Ų9778 Ų7851%0.50845%0.449SS..Hα-helixtrans-70.8-40.6178.5-83.1160.4000112.1Y42 Y43 I50Y42-L46 HydrophobicContact CD1-CD1 3.86Å; Y42-L46 HydrophobicContact CD1-CG 4.46Å; Y42-L46 VanDerWaalsContact O-CB 3.31Å; Y42-L46 WeakPolarHBondContact O-CB 3.41Å; Y42-L46 PolarHBondContact O-N 2.93Å; Y43-L46 PolarHBondContact O-N 3.28Å; L46-I50 HydrophobicContact CD2-CD1 4.45Å; L46-I50 WeakPolarHBondContact O-CD1 3.35Å; L46-I50 WeakPolarHBondContact O-CG1 3.48Å
47V43.5Very low44.8Very low69 Ų6985.1 Ų85.142%0.41847%0.473SS..Hα-helixtrans-92.3-38.2-173.4-177.40000111.8Y43Y43-V47 HydrophobicContact CD1-CB 4.32Å; Y43-V47 HydrophobicContact CD1-CG2 4.26Å; Y43-V47 HydrophobicContact CD2-CG2 3.68Å; Y43-V47 HydrophobicContact CE1-CB 4.03Å; Y43-V47 HydrophobicContact CE1-CG1 4.22Å; Y43-V47 HydrophobicContact CE1-CG2 4.03Å; Y43-V47 HydrophobicContact CE2-CB 4.34Å; Y43-V47 HydrophobicContact CE2-CG2 3.44Å; Y43-V47 VanDerWaalsContact CE2-CG2 3.44Å; Y43-V47 HydrophobicContact CG-CG2 4.09Å; Y43-V47 WeakPolarHBondContact O-CA 3.46Å; Y43-V47 VanDerWaalsContact O-CB 3.23Å; Y43-V47 WeakPolarHBondContact O-CB 3.07Å; Y43-V47 PolarHBondContact O-N 3.36Å
48L46.6Very low43.6Very low96 Ų9688 Ų8850%0.50349%0.491SS..Hα-helixtrans-103.7-15.4178.2-49.8-179000114.1H44 T51H44-L48 WeakPolarHBondContact ND1-CD1 3.35Å; H44-L48 CarbonylContact O-C 3.44Å; H44-L48 VanDerWaalsContact O-CA 3.32Å; H44-L48 WeakPolarHBondContact O-CA 3.17Å; H44-L48 WeakPolarHBondContact O-CB 3.41Å; H44-L48 PolarHBondContact O-N 2.95Å; L48-T51 PolarHBondContact O-OG1 3.14Å
49G38.9Very low42.7Very low29 Ų2995.4 Ų95.430%0.29953%0.531SS..SBendtrans-82.5-27.7175.400000112.9H44 E45 T51 S52H44-G49 PolarHBondContact O-N 3.37Å; H44-G49 VanDerWaalsContact O-N 3.07Å; E45-G49 CarbonylContact O-C 3.59Å; E45-G49 WeakPolarHBondContact O-CA 3.19Å; E45-G49 PolarHBondContact O-N 3.34Å; G49-T51 PolarHBondContact O-N 3.44Å; G49-S52 PolarHBondContact O-N 3.01Å
50I38.7Very low41.3Very low112 Ų112104.6 Ų104.657%0.57457%0.566SS**G310 helixtrans-67.7-21.4174.7-59.5177.5000111.4L46 S52L46-I50 HydrophobicContact CD2-CD1 4.45Å; L46-I50 WeakPolarHBondContact O-CD1 3.35Å; L46-I50 WeakPolarHBondContact O-CG1 3.48Å; I50-S52 PolarHBondContact O-N 3.06Å
51T37.9Very low40.2Very low113 Ų113107.3 Ų107.369%0.69359%0.586SS**G310 helixtrans-72.9-3.4170.234.70000114.1L48 G49L48-T51 PolarHBondContact O-OG1 3.14Å; G49-T51 PolarHBondContact O-N 3.44Å
52S34.1Very low39.3Very low101 Ų101111 Ų11171%0.70661%0.611SS**G310 helixtrans-103.119.5178.2-660000114.9G49 I50G49-S52 PolarHBondContact O-N 3.01Å; I50-S52 PolarHBondContact O-N 3.06Å
53T30.4Very low38.4Very low113 Ų113118.8 Ų118.869%0.69364%0.641SS**SBendtrans-131.174168.755.50000111.5
54S32.1Very low37.3Very low119 Ų119122.3 Ų122.383%0.83267%0.665SS**SBendtrans179.2142.4132.650.60000111.7
55S32.3Very low36.6Very low103 Ų103124.1 Ų124.172%0.7268%0.679SS**  trans74.471.6168-146.40000117.1R57S55-R57 PolarHBondContact O-N 2.92Å
56A37.4Very low36Very low110 Ų110129.2 Ų129.291%0.90971%0.707SS**  trans-55.684.4136.700000109.6
57R32.2Very low35.5Very low216 Ų216132.7 Ų132.782%0.81572%0.721SS**  trans-164.1100.9156.5-130.3171.9171.8159-3109.8S55S55-R57 PolarHBondContact O-N 2.92Å
58N35.3Very low35Very low149 Ų149137.9 Ų137.980%0.79774%0.74SS**  trans26.6109.3151.1-68.2-12.5000117.1
59D36.9Very low34.4Very low159 Ų159140.5 Ų140.585%0.8576%0.755SS**  -151.7136.3121.2-104.2-28.7000111V61D59-V61 PolarHBondContact O-N 3.48Å
60R33.6Very low34.2Very low242 Ų242150.4 Ų150.491%0.91378%0.783SS**  trans-63.793.9-177.3-72.2168.3165.1175.5-5.8109.7
61V36.1Very low33.9Very low120 Ų120153.4 Ų153.473%0.72780%0.799SS**  trans-95.899.1163.1-175.90000107.5D59 Y63D59-V61 PolarHBondContact O-N 3.48Å; V61-Y63 PolarHBondContact O-N 2.87Å
62T33.2Very low33.5Very low118 Ų118152.1 Ų152.172%0.72480%0.795SS**  trans-48.9110.2166.5-38.50000108.2N64T62-N64 VanDerWaalsContact C-N 3.31Å; T62-N64 PolarHBondContact O-N 3.38Å
63Y33.6Very low33.3Very low213 Ų213155.2 Ų155.284%0.83580%0.803SS**  trans-65.891.8172.7-80-95.5000108.2V61 N65V61-Y63 PolarHBondContact O-N 2.87Å; Y63-N65 VanDerWaalsContact C-N 3.27Å; Y63-N65 PolarHBondContact O-N 2.95Å
64N31.9Very low33.2Very low152 Ų152154.2 Ų154.281%0.81380%0.8SS**  trans-73.294159.3-94.1-2.3000106.9T62 N66T62-N64 VanDerWaalsContact C-N 3.31Å; T62-N64 PolarHBondContact O-N 3.38Å; N64-N66 PolarHBondContact O-N 3.35Å
65N36.2Very low33.3Very low141 Ų141152.3 Ų152.375%0.75479%0.785SS**  trans-57.2102.1158.6-78.6-17.5000107.7Y63Y63-N65 VanDerWaalsContact C-N 3.27Å; Y63-N65 PolarHBondContact O-N 2.95Å
66N31.4Very low33.1Very low142 Ų142149.8 Ų149.876%0.75976%0.763SS**  trans-161.8138147.1-93-14.5000108N64N64-N66 PolarHBondContact O-N 3.35Å
67E34.2Very low32.7Very low170 Ų170150.3 Ų150.379%0.79475%0.75SS**  trans82.870.8176.8-41.2-49123.200115.5
68E31.1Very low32.6Very low177 Ų177147.3 Ų147.383%0.82775%0.745SS**  trans-53.6165.8136.1-70.2-178.3148.900109.8
69D34.8Very low32.6Very low151 Ų151145.4 Ų145.481%0.80774%0.735SS**  trans9329.4165.4-69-14.7000121.2
70R33.8Very low32.5Very low237 Ų237141.6 Ų141.689%0.89471%0.713SS**  trans-13768.6148.6-68.7-167.2134.5117-2112.8S72R70-S72 PolarHBondContact O-N 3.33Å
71L33.5Very low32.6Very low176 Ų176135.3 Ų135.392%0.92171%0.706SS**  trans-62.575.1153.1-68.7172.8000108.5L73L71-L73 PolarHBondContact O-N 3.15Å
72S28.5Very low32.7Very low85 Ų85136.9 Ų136.959%0.59471%0.705SS**  trans-65.8112.9173.2123.60000106.9R70 S74R70-S72 PolarHBondContact O-N 3.33Å; S72-S74 PolarHBondContact O-N 2.89Å; S72-S74 PolarHBondContact OG-OG 3.25Å
73L30.7Very low33Very low167 Ų167133.5 Ų133.587%0.87469%0.685SS**  trans-71.854.1173.3-76.3165.1000111.7L71L71-L73 PolarHBondContact O-N 3.15Å
74S28.5Very low33.5Very low92 Ų92127.5 Ų127.564%0.64367%0.667SS**  trans-118.2121.6171.9-51.30000106.9S72S72-S74 PolarHBondContact O-N 2.89Å; S72-S74 PolarHBondContact OG-OG 3.25Å
75P34.2Very low34.2Very low78 Ų78125.1 Ų125.151%0.50666%0.66SS.*SBendcis-147.470.742.138.1-14.4000114.1
76I28.6Very low34.8Very low51 Ų51120.5 Ų120.526%0.26265%0.645SS.*SBendtrans-101.5-16.2171.3-64.8155000111.7Y43 E78 D79Y43-I76 HydrophobicContact CE2-CD1 4.35Å; I76-E78 PolarHBondContact O-N 3.01Å; I76-D79 PolarHBondContact O-N 2.96Å
77L27.9Very low35.4Very low120 Ų120117.7 Ų117.763%0.62863%0.627SS**SBendtrans-62.2-24173.6-85.1163.2000112.5M80L77-M80 HydrophobicContact CD2-CE 3.44Å; L77-M80 VanDerWaalsContact CD2-CE 3.44Å
78E31.2Very low36Very low154 Ų154111.4 Ų111.472%0.7260%0.602SS**G310 helixtrans-75-28.1177.8-77.3172.8159.700113.1I76 M80 S81I76-E78 PolarHBondContact O-N 3.01Å; E78-M80 PolarHBondContact O-N 3.49Å; E78-S81 PolarHBondContact O-OG 3.33Å
79D34.6Very low36.9Very low108 Ų108108.8 Ų108.858%0.57859%0.593SS**G310 helixtrans-80.3-2.1179.5-120.314000113.6I76 S81 E82I76-D79 PolarHBondContact O-N 2.96Å; D79-S81 PolarHBondContact O-N 3.37Å; D79-E82 PolarHBondContact O-N 3.22Å
80M34.7Very low37.5Very low79 Ų79108.2 Ų108.239%0.38958%0.583SS.*G310 helixtrans-70.3-17.8179-69.7-114.1-124.400113.4L77 E78 E82 L127L77-M80 HydrophobicContact CD2-CE 3.44Å; L77-M80 VanDerWaalsContact CD2-CE 3.44Å; E78-M80 PolarHBondContact O-N 3.49Å; M80-E82 VanDerWaalsContact C-N 3.32Å; M80-L127 HydrophobicContact CE-CD2 3.81Å
81S36.3Very low38.2Very low110 Ų11098 Ų9877%0.76955%0.545SS*.G310 helixtrans-74.8-20.418062.50000113.2E78 D79E78-S81 PolarHBondContact O-OG 3.33Å; D79-S81 PolarHBondContact O-N 3.37Å
82E38.1Very low39Very low153 Ų15394.2 Ų94.272%0.71552%0.523SS*.SBendtrans-84.6-15-177.6-66.8-162.816500114.5D79 M80 N84D79-E82 PolarHBondContact O-N 3.22Å; M80-E82 VanDerWaalsContact C-N 3.32Å; E82-N84 VanDerWaalsContact C-N 3.27Å; E82-N84 PolarHBondContact O-N 2.97Å
83V40Very low40.1Very low48 Ų4893.8 Ų93.829%0.29152%0.519SS..SBendtrans-78.284.6178.1-169.20000109.1P120V83-P120 HydrophobicContact CG2-CB 3.59Å
84N43.7Very low40.9Very low87 Ų8789.5 Ų89.547%0.46550%0.496SS..  trans-43.3122.4177.9174.6-19000110.6E82 G86 H87 S88E82-N84 VanDerWaalsContact C-N 3.27Å; E82-N84 PolarHBondContact O-N 2.97Å; N84-G86 PolarHBondContact O-N 2.88Å; N84-G86 VanDerWaalsContact O-N 3.08Å; N84-G86 PolarHBondContact OD1-N 3.48Å; N84-H87 WeakPolarHBondContact O-CA 3.49Å; N84-H87 VanDerWaalsContact O-CB 3.27Å; N84-H87 WeakPolarHBondContact O-CB 3.33Å; N84-H87 PolarHBondContact O-N 3.28Å; N84-S88 PolarHBondContact O-N 3.31Å
85P45.5Very low41.8Very low102 Ų10285.4 Ų85.466%0.66247%0.467SS*.Hα-helixtrans-59-26.9-174.818.9-29.9000113.5H87 S88 L89P85-H87 VanDerWaalsContact C-N 3.25Å; P85-H87 PolarHBondContact O-N 2.94Å; P85-S88 WeakPolarHBondContact O-CB 3.42Å; P85-S88 PolarHBondContact O-N 3.38Å; P85-S88 VanDerWaalsContact O-N 3.15Å; P85-L89 PolarHBondContact O-N 3.44Å
86G49.1Very low42.5Very low43 Ų4387.6 Ų87.644%0.44347%0.471SS..Hα-helixtrans-62.9-32.217300000113.1N84 K90N84-G86 PolarHBondContact O-N 2.88Å; N84-G86 VanDerWaalsContact O-N 3.08Å; N84-G86 PolarHBondContact OD1-N 3.48Å; G86-K90 PolarHBondContact O-N 3.1Å
87H45.5Very low43.4Very low84 Ų8486 Ų8639%0.38946%0.463SS..Hα-helixtrans-71.5-38.6173.8-73.9-104.9000111.3N84 P85 L89 K90 Y91N84-H87 WeakPolarHBondContact O-CA 3.49Å; N84-H87 VanDerWaalsContact O-CB 3.27Å; N84-H87 WeakPolarHBondContact O-CB 3.33Å; N84-H87 PolarHBondContact O-N 3.28Å; P85-H87 VanDerWaalsContact C-N 3.25Å; P85-H87 PolarHBondContact O-N 2.94Å; H87-L89 VanDerWaalsContact C-N 3.32Å; H87-L89 PolarHBondContact O-N 3.29Å; H87-K90 PolarHBondContact O-N 2.91Å; H87-Y91 VanDerWaalsContact C-CD2 3.48Å; H87-Y91 HydrophobicContact CB-CD2 3.98Å; H87-Y91 HydrophobicContact CB-CE2 3.47Å; H87-Y91 VanDerWaalsContact CB-CE2 3.47Å; H87-Y91 AromaticContact ND1-CZ 3.71Å; H87-Y91 PolarHBondContact ND1-OH 2.86Å; H87-Y91 VanDerWaalsContact ND1-OH 3.09Å; H87-Y91 WeakPolarHBondContact O-CB 3.38Å; H87-Y91 WeakPolarHBondContact O-CD2 3.49Å; H87-Y91 PolarHBondContact O-N 2.82Å
88S45.4Very low44.4Very low37 Ų3786.6 Ų86.626%0.25947%0.467SS..Hα-helixtrans-55.8-44.3176.7-174.70000112.3N84 P85 Y91 Q92N84-S88 PolarHBondContact O-N 3.31Å; P85-S88 WeakPolarHBondContact O-CB 3.42Å; P85-S88 PolarHBondContact O-N 3.38Å; P85-S88 VanDerWaalsContact O-N 3.15Å; S88-Y91 PolarHBondContact O-N 3.39Å; S88-Q92 WeakPolarHBondContact O-CB 3.3Å; S88-Q92 WeakPolarHBondContact O-CG 3.49Å; S88-Q92 PolarHBondContact O-N 3.49Å
89L49.9Very low45.1Very low123 Ų12387.6 Ų87.664%0.64447%0.471SS*.Hα-helixtrans-65.7-45.9176.7-79167.9000112.6P85 H87 Y91 Q92 S93P85-L89 PolarHBondContact O-N 3.44Å; H87-L89 VanDerWaalsContact C-N 3.32Å; H87-L89 PolarHBondContact O-N 3.29Å; L89-Y91 PolarHBondContact O-N 3.5Å; L89-Q92 PolarHBondContact O-N 2.93Å; L89-S93 WeakPolarHBondContact O-CB 3.34Å; L89-S93 PolarHBondContact O-N 3.5Å; L89-S93 PolarHBondContact O-OG 3.08Å
90K48.7Very low45.6Very low138 Ų13884.9 Ų84.960%0.646%0.458SS*.Hα-helixtrans-61-33.4176.2-170.2175.9-176.7175.60111.7G86 H87 S93 I94G86-K90 PolarHBondContact O-N 3.1Å; H87-K90 PolarHBondContact O-N 2.91Å; K90-S93 PolarHBondContact O-OG 3.03Å; K90-I94 HydrophobicContact CG-CD1 4.41Å; K90-I94 WeakPolarHBondContact O-CD1 3.26Å; K90-I94 WeakPolarHBondContact O-CG1 3.3Å; K90-I94 PolarHBondContact O-N 3.48Å; K90-I94 VanDerWaalsContact O-N 3.16Å
91Y48.9Very low46.7Very low23 Ų2387 Ų879%0.0947%0.47CS..Hα-helixtrans-79.1-47.7177.7-60.8-36.9000111.3H87 S88 L89 S93 I94 F95 Y118 F121H87-Y91 VanDerWaalsContact C-CD2 3.48Å; H87-Y91 HydrophobicContact CB-CD2 3.98Å; H87-Y91 HydrophobicContact CB-CE2 3.47Å; H87-Y91 VanDerWaalsContact CB-CE2 3.47Å; H87-Y91 AromaticContact ND1-CZ 3.71Å; H87-Y91 PolarHBondContact ND1-OH 2.86Å; H87-Y91 VanDerWaalsContact ND1-OH 3.09Å; H87-Y91 WeakPolarHBondContact O-CB 3.38Å; H87-Y91 WeakPolarHBondContact O-CD2 3.49Å; H87-Y91 PolarHBondContact O-N 2.82Å; S88-Y91 PolarHBondContact O-N 3.39Å; L89-Y91 PolarHBondContact O-N 3.5Å; Y91-S93 PolarHBondContact O-N 2.85Å; Y91-S93 VanDerWaalsContact O-N 3.13Å; Y91-I94 HydrophobicContact CD1-CD1 4.21Å; Y91-I94 PolarHBondContact O-N 3.27Å; Y91-F95 WeakPolarHBondContact O-CD2 3.45Å; Y91-F95 PolarHBondContact O-N 2.86Å; Y91-Y118 AromaticContact CD1-CD1 4Å; Y91-Y118 HydrophobicContact CD1-CD1 4Å; Y91-Y118 AromaticContact CD1-CE1 3.78Å; Y91-Y118 HydrophobicContact CD1-CE1 3.78Å; Y91-Y118 AromaticContact CE1-CD1 3.81Å; Y91-Y118 HydrophobicContact CE1-CD1 3.81Å; Y91-Y118 AromaticContact CE1-CE1 3.48Å; Y91-Y118 HydrophobicContact CE1-CE1 3.48Å; Y91-Y118 VanDerWaalsContact CE1-CE1 3.48Å; Y91-F121 HydrophobicContact CD2-CB 3.84Å; Y91-F121 AromaticContact CD2-CD2 3.8Å; Y91-F121 HydrophobicContact CD2-CD2 3.8Å; Y91-F121 AromaticContact CD2-CG 3.81Å; Y91-F121 HydrophobicContact CD2-CG 3.81Å; Y91-F121 HydrophobicContact CE2-CB 4.44Å; Y91-F121 HydrophobicContact CG-CB 4.45Å; Y91-F121 HydrophobicContact CG-CD1 4.45Å; Y91-F121 HydrophobicContact CG-CD2 4.21Å; Y91-F121 HydrophobicContact CG-CG 4.1Å
92Q49.2Very low47.7Very low97 Ų9784.4 Ų84.445%0.45345%0.451SS..Hα-helixtrans-52.2-38.5173.1-77.6-176.617.200112S88 L89 Q96 F121S88-Q92 WeakPolarHBondContact O-CB 3.3Å; S88-Q92 WeakPolarHBondContact O-CG 3.49Å; S88-Q92 PolarHBondContact O-N 3.49Å; L89-Q92 PolarHBondContact O-N 2.93Å; Q92-Q96 VanDerWaalsContact O-CA 3.24Å; Q92-Q96 WeakPolarHBondContact O-CA 3.4Å; Q92-Q96 PolarHBondContact O-N 3.26Å; Q92-F121 HydrophobicContact CB-CZ 4.44Å; Q92-F121 HydrophobicContact CG-CE2 4.04Å; Q92-F121 HydrophobicContact CG-CZ 3.74Å
93S52Low48.8Very low75 Ų7578.2 Ų78.252%0.52442%0.422SS..Hα-helixtrans-70.8-42.7176.4680000113.1L89 K90 Y91 F95 Q96L89-S93 WeakPolarHBondContact O-CB 3.34Å; L89-S93 PolarHBondContact O-N 3.5Å; L89-S93 PolarHBondContact O-OG 3.08Å; K90-S93 PolarHBondContact O-OG 3.03Å; Y91-S93 PolarHBondContact O-N 2.85Å; Y91-S93 VanDerWaalsContact O-N 3.13Å; S93-F95 VanDerWaalsContact C-N 3.27Å; S93-F95 PolarHBondContact O-N 3.24Å; S93-Q96 VanDerWaalsContact O-CG 3.26Å; S93-Q96 WeakPolarHBondContact O-CG 3.45Å; S93-Q96 PolarHBondContact O-N 3Å
94I46.7Very low49.7Very low77 Ų7779.4 Ų79.440%0.39543%0.431SS..Hα-helixtrans-56.9-45.4173.6-74.4164.6000110.5K90 Y91K90-I94 HydrophobicContact CG-CD1 4.41Å; K90-I94 WeakPolarHBondContact O-CD1 3.26Å; K90-I94 WeakPolarHBondContact O-CG1 3.3Å; K90-I94 PolarHBondContact O-N 3.48Å; K90-I94 VanDerWaalsContact O-N 3.16Å; Y91-I94 HydrophobicContact CD1-CD1 4.21Å; Y91-I94 PolarHBondContact O-N 3.27Å
95F47.8Very low50.6Low7 Ų777.2 Ų77.23%0.03142%0.416CS..Hα-helixtrans-88.6-14.6-173.8-68.3-86.5000113.7Y91 S93 L97 K103 L111 F121 I122Y91-F95 WeakPolarHBondContact O-CD2 3.45Å; Y91-F95 PolarHBondContact O-N 2.86Å; S93-F95 VanDerWaalsContact C-N 3.27Å; S93-F95 PolarHBondContact O-N 3.24Å; F95-L97 HydrophobicContact CB-CB 4.48Å; F95-L97 HydrophobicContact CB-CD1 3.6Å; F95-L97 HydrophobicContact CB-CD2 3.69Å; F95-L97 HydrophobicContact CB-CG 3.28Å; F95-L97 HydrophobicContact CD1-CD2 4.31Å; F95-L97 HydrophobicContact CD2-CD1 4.26Å; F95-L97 HydrophobicContact CG-CD1 4.03Å; F95-L97 HydrophobicContact CG-CD2 4.28Å; F95-L97 HydrophobicContact CG-CG 4.14Å; F95-L97 PolarHBondContact O-N 2.82Å; F95-K103 WeakPolarHBondContact O-CE 3.33Å; F95-K103 PolarHBondContact O-NZ 3.36Å; F95-L111 HydrophobicContact CD1-CD1 3.92Å; F95-L111 HydrophobicContact CD1-CD2 4.36Å; F95-L111 HydrophobicContact CE1-CD1 3.29Å; F95-L111 HydrophobicContact CE1-CD2 3.23Å; F95-L111 HydrophobicContact CE1-CG 3.85Å; F95-L111 HydrophobicContact CE2-CD2 4.07Å; F95-L111 HydrophobicContact CZ-CD1 4.09Å; F95-L111 HydrophobicContact CZ-CD2 3.05Å; F95-L111 HydrophobicContact CZ-CG 4.14Å; F95-F121 AromaticContact CD2-CD1 3.99Å; F95-F121 HydrophobicContact CD2-CD1 3.99Å; F95-F121 AromaticContact CD2-CE1 3.56Å; F95-F121 HydrophobicContact CD2-CE1 3.56Å; F95-F121 AromaticContact CE2-CD1 3.59Å; F95-F121 HydrophobicContact CE2-CD1 3.59Å; F95-F121 AromaticContact CE2-CE1 3.67Å; F95-F121 HydrophobicContact CE2-CE1 3.67Å; F95-F121 HydrophobicContact CZ-CD1 4.38Å; F95-I122 HydrophobicContact CZ-CG1 4.36Å
96Q48.7Very low51.5Low124 Ų12476.2 Ų76.258%0.57941%0.412SS*.THydrogen-bonded Turntrans31.750.4-169.5-55.1173.5-3200112Q92 S93 N98 K103Q92-Q96 VanDerWaalsContact O-CA 3.24Å; Q92-Q96 WeakPolarHBondContact O-CA 3.4Å; Q92-Q96 PolarHBondContact O-N 3.26Å; S93-Q96 VanDerWaalsContact O-CG 3.26Å; S93-Q96 WeakPolarHBondContact O-CG 3.45Å; S93-Q96 PolarHBondContact O-N 3Å; Q96-N98 PolarHBondContact O-N 3.47Å; Q96-K103 VanDerWaalsContact OE1-NZ 3.12Å
97L48.1Very low52Low17 Ų1775.6 Ų75.69%0.08940%0.402CS..THydrogen-bonded Turntrans-65.9-0.8-163.8-74.6162.1000115V28 F95 H99 F121 Y125V28-L97 HydrophobicContact CG1-CD2 4.27Å; F95-L97 HydrophobicContact CB-CB 4.48Å; F95-L97 HydrophobicContact CB-CD1 3.6Å; F95-L97 HydrophobicContact CB-CD2 3.69Å; F95-L97 HydrophobicContact CB-CG 3.28Å; F95-L97 HydrophobicContact CD1-CD2 4.31Å; F95-L97 HydrophobicContact CD2-CD1 4.26Å; F95-L97 HydrophobicContact CG-CD1 4.03Å; F95-L97 HydrophobicContact CG-CD2 4.28Å; F95-L97 HydrophobicContact CG-CG 4.14Å; F95-L97 PolarHBondContact O-N 2.82Å; L97-H99 VanDerWaalsContact C-N 3.28Å; L97-H99 PolarHBondContact O-N 2.75Å; L97-F121 HydrophobicContact CD1-CE1 3.65Å; L97-F121 HydrophobicContact CD1-CZ 4.05Å; L97-Y125 HydrophobicContact CB-CD2 4.15Å; L97-Y125 HydrophobicContact CB-CE2 3.44Å; L97-Y125 VanDerWaalsContact CB-CE2 3.44Å; L97-Y125 HydrophobicContact CD1-CD1 4.31Å; L97-Y125 HydrophobicContact CD1-CD2 3.55Å; L97-Y125 HydrophobicContact CD1-CE1 4.48Å; L97-Y125 HydrophobicContact CD1-CE2 3.73Å; L97-Y125 HydrophobicContact CD1-CG 3.83Å; L97-Y125 HydrophobicContact CD2-CE1 4.13Å; L97-Y125 HydrophobicContact CD2-CE2 4.32Å; L97-Y125 HydrophobicContact CG-CD2 4.3Å; L97-Y125 HydrophobicContact CG-CE2 3.97Å; L97-Y125 PolarHBondContact O-OH 3.22Å; L97-Y125 VanDerWaalsContact O-OH 3.05Å
98N48.7Very low52.7Low133 Ų13371.7 Ų71.771%0.71138%0.384SS*.THydrogen-bonded Turntrans-67.7-30.4-174.5-71.9-21.7000111.8Q96Q96-N98 PolarHBondContact O-N 3.47Å
99H46.1Very low53.4Low174 Ų17473.1 Ų73.181%0.80639%0.389SS*.THydrogen-bonded Turntrans-147.7-1.2-172-71-65000117.3L97 I101L97-H99 VanDerWaalsContact C-N 3.28Å; L97-H99 PolarHBondContact O-N 2.75Å; H99-I101 PolarHBondContact O-N 3.41Å
100V45.5Very low54Low52 Ų5275 Ų7532%0.31539%0.388SS..  trans-101.8103-164.4-1740000111.1S102 K103V100-S102 VanDerWaalsContact C-N 3.26Å; V100-S102 WeakPolarHBondContact CG1-O 3.25Å; V100-K103 HydrophobicContact CB-CD 4.44Å; V100-K103 HydrophobicContact CG1-CD 3.79Å; V100-K103 HydrophobicContact CG1-CG 4Å
101I57.5Low54.3Low124 Ų12469.1 Ų69.164%0.63636%0.362SS*.SBendtrans-65.8-33.2173.9-60.8171.6000110N27 V28 H99N27-I101 VanDerWaalsContact CA-O 3.28Å; N27-I101 WeakPolarHBondContact CA-O 3.28Å; N27-I101 PolarHBondContact OD1-O 2.83Å; N27-I101 VanDerWaalsContact OD1-O 3.11Å; V28-I101 PolarHBondContact N-O 3.43Å; H99-I101 PolarHBondContact O-N 3.41Å
102S57.4Low54.7Low54 Ų5469.1 Ų69.138%0.37836%0.364SS..EExtended strand (participates in β ladder)trans-132125.5-173.1630000112.5L26 V100L26-S102 WeakPolarHBondContact O-CA 3.23Å; V100-S102 VanDerWaalsContact C-N 3.26Å; V100-S102 WeakPolarHBondContact CG1-O 3.25Å
103K60.1Low55.2Low24 Ų2468.7 Ų68.710%0.10437%0.372CS..EExtended strand (participates in β ladder)trans-111.9154.3179.3-78-71.6-177.7-174.60111.3T25 L26 V28 F95 Q96 V100 R105T25-K103 VanDerWaalsContact CA-O 3.29Å; T25-K103 WeakPolarHBondContact CA-O 3.32Å; L26-K103 PolarHBondContact N-O 2.78Å; L26-K103 PolarHBondContact O-N 3.43Å; V28-K103 HydrophobicContact CG2-CB 3.6Å; V28-K103 HydrophobicContact CG2-CG 3.3Å; F95-K103 WeakPolarHBondContact O-CE 3.33Å; F95-K103 PolarHBondContact O-NZ 3.36Å; Q96-K103 VanDerWaalsContact OE1-NZ 3.12Å; V100-K103 HydrophobicContact CB-CD 4.44Å; V100-K103 HydrophobicContact CG1-CD 3.79Å; V100-K103 HydrophobicContact CG1-CG 4Å; K103-R105 PolarHBondContact O-N 2.87Å
104P59.3Low55.5Low72 Ų7270.4 Ų70.447%0.46837%0.37SS..EExtended strand (participates in β ladder)trans-53.6133.8173-22.432000109.9D24 S106 A107 C108D24-P104 WeakPolarHBondContact O-CA 3.38Å; P104-S106 PolarHBondContact O-N 3.31Å; P104-S106 VanDerWaalsContact O-N 3.1Å; P104-A107 WeakPolarHBondContact O-CB 3.41Å; P104-A107 PolarHBondContact O-N 2.9Å; P104-C108 PolarHBondContact O-N 2.98Å
105R61.9Low55.8Low41 Ų4168 Ų6816%0.15536%0.357CS..Hα-helixtrans-51-37.6-178.3175.2170.4-179.1144.29.2113.6I17 Q18 E20 D24 L26 K103 A107 C108 D109I17-R105 PolarHBondContact O-NH1 3.46Å; I17-R105 PolarHBondContact O-NH2 2.97Å; Q18-R105 VanDerWaalsContact CA-NH2 3.29Å; E20-R105 PolarHBondContact O-NH1 3.49Å; D24-R105 PolarHBondContact O-N 3.42Å; L26-R105 HydrophobicContact CD1-CB 4.15Å; L26-R105 HydrophobicContact CD1-CG 3.83Å; K103-R105 PolarHBondContact O-N 2.87Å; R105-A107 PolarHBondContact O-N 2.88Å; R105-C108 CarbonylContact O-C 3.55Å; R105-C108 WeakPolarHBondContact O-CA 3.34Å; R105-C108 WeakPolarHBondContact O-CB 3.45Å; R105-C108 PolarHBondContact O-N 3.35Å; R105-D109 WeakPolarHBondContact CG-OD2 3.4Å; R105-D109 IonicContact NE-OD2 3.41Å; R105-D109 PolarHBondContact O-N 2.79Å
106S64.5Low55.9Low82 Ų8275.4 Ų75.457%0.57338%0.384SS*.Hα-helixtrans-58-31.4176.560.30000113.6P104 R110P104-S106 PolarHBondContact O-N 3.31Å; P104-S106 VanDerWaalsContact O-N 3.1Å; S106-R110 WeakPolarHBondContact O-CB 3.31Å; S106-R110 WeakPolarHBondContact O-CG 3.29Å; S106-R110 PolarHBondContact O-N 3.44Å; S106-R110 VanDerWaalsContact O-N 3.08Å
107A60.3Low56Low30 Ų3073.9 Ų73.925%0.24838%0.383CS..Hα-helixtrans-73.2-41.117400000111.3P104 R105 R110 L111P104-A107 WeakPolarHBondContact O-CB 3.41Å; P104-A107 PolarHBondContact O-N 2.9Å; R105-A107 PolarHBondContact O-N 2.88Å; A107-R110 PolarHBondContact O-N 3.29Å; A107-L111 WeakPolarHBondContact O-CD1 3.45Å; A107-L111 WeakPolarHBondContact O-CG 3.35Å; A107-L111 PolarHBondContact O-N 3.21Å
108C59.8Low56.2Low1 Ų174.2 Ų74.21%0.00738%0.384CS..Hα-helixtrans-65.1-43.5174.7-63.40000112.2L26 V31 P104 R105 R110 L111 I112L26-C108 HydrophobicContact CB-CB 4.25Å; L26-C108 HydrophobicContact CD1-CB 4.06Å; V31-C108 HydrophobicContact CG2-CB 4.39Å; P104-C108 PolarHBondContact O-N 2.98Å; R105-C108 CarbonylContact O-C 3.55Å; R105-C108 WeakPolarHBondContact O-CA 3.34Å; R105-C108 WeakPolarHBondContact O-CB 3.45Å; R105-C108 PolarHBondContact O-N 3.35Å; C108-R110 VanDerWaalsContact C-N 3.31Å; C108-R110 PolarHBondContact O-N 3.22Å; C108-L111 VanDerWaalsContact O-CB 3.28Å; C108-L111 WeakPolarHBondContact O-CB 3.33Å; C108-L111 PolarHBondContact O-N 2.99Å; C108-L111 VanDerWaalsContact O-N 3.09Å; C108-I112 WeakPolarHBondContact O-CG1 3.38Å; C108-I112 PolarHBondContact O-N 2.82Å
109D61.3Low56.4Low67 Ų6769.1 Ų69.136%0.35836%0.356SS..Hα-helixtrans-63.1-39.3175.5-71.6-23.4000110.9R105 L111 I112 S113R105-D109 WeakPolarHBondContact CG-OD2 3.4Å; R105-D109 IonicContact NE-OD2 3.41Å; R105-D109 PolarHBondContact O-N 2.79Å; D109-L111 VanDerWaalsContact C-N 3.31Å; D109-L111 PolarHBondContact O-N 3.41Å; D109-I112 PolarHBondContact O-N 3.22Å; D109-S113 WeakPolarHBondContact O-CB 3.4Å; D109-S113 PolarHBondContact O-N 3.41Å; D109-S113 PolarHBondContact O-OG 3.36Å
110R60.6Low56.8Low164 Ų16463.8 Ų63.862%0.61934%0.336SS*.Hα-helixtrans-62.7-37.6172.6-79.1176.8113.5-150.46.1112.2S106 A107 C108 S113 K114S106-R110 WeakPolarHBondContact O-CB 3.31Å; S106-R110 WeakPolarHBondContact O-CG 3.29Å; S106-R110 PolarHBondContact O-N 3.44Å; S106-R110 VanDerWaalsContact O-N 3.08Å; A107-R110 PolarHBondContact O-N 3.29Å; C108-R110 VanDerWaalsContact C-N 3.31Å; C108-R110 PolarHBondContact O-N 3.22Å; R110-S113 WeakPolarHBondContact CA-OG 3.2Å; R110-S113 PolarHBondContact O-N 2.82Å; R110-S113 PolarHBondContact O-OG 2.89Å; R110-K114 PolarHBondContact O-N 3.09Å
111L55.6Low57.1Low13 Ų1361.7 Ų61.77%0.06832%0.323CS..Hα-helixtrans-63.7-47176.8-80.1157.8000112.2F95 A107 C108 D109 K114 E115 Y118F95-L111 HydrophobicContact CD1-CD1 3.92Å; F95-L111 HydrophobicContact CD1-CD2 4.36Å; F95-L111 HydrophobicContact CE1-CD1 3.29Å; F95-L111 HydrophobicContact CE1-CD2 3.23Å; F95-L111 HydrophobicContact CE1-CG 3.85Å; F95-L111 HydrophobicContact CE2-CD2 4.07Å; F95-L111 HydrophobicContact CZ-CD1 4.09Å; F95-L111 HydrophobicContact CZ-CD2 3.05Å; F95-L111 HydrophobicContact CZ-CG 4.14Å; A107-L111 WeakPolarHBondContact O-CD1 3.45Å; A107-L111 WeakPolarHBondContact O-CG 3.35Å; A107-L111 PolarHBondContact O-N 3.21Å; C108-L111 VanDerWaalsContact O-CB 3.28Å; C108-L111 WeakPolarHBondContact O-CB 3.33Å; C108-L111 PolarHBondContact O-N 2.99Å; C108-L111 VanDerWaalsContact O-N 3.09Å; D109-L111 VanDerWaalsContact C-N 3.31Å; D109-L111 PolarHBondContact O-N 3.41Å; L111-K114 PolarHBondContact O-N 3.36Å; L111-E115 WeakPolarHBondContact O-CA 3.3Å; L111-E115 PolarHBondContact O-N 2.78Å; L111-E115 VanDerWaalsContact O-N 3.15Å; L111-Y118 HydrophobicContact CD2-CD2 3.74Å; L111-Y118 HydrophobicContact CD2-CE2 4.13Å; L111-Y118 HydrophobicContact CD2-CG 4Å
112I56.9Low56.9Low24 Ų2456 Ų5612%0.12329%0.294CS..Hα-helixtrans-63-48.9176.7-67.9164000109.2I17 V31 C108 D109 K114 E115I17-I112 HydrophobicContact CD1-CD1 3.11Å; I17-I112 HydrophobicContact CD1-CG1 4.49Å; V31-I112 HydrophobicContact CG1-CD1 4.5Å; V31-I112 HydrophobicContact CG1-CG1 4.44Å; C108-I112 WeakPolarHBondContact O-CG1 3.38Å; C108-I112 PolarHBondContact O-N 2.82Å; D109-I112 PolarHBondContact O-N 3.22Å; I112-K114 PolarHBondContact O-N 2.97Å; I112-K114 VanDerWaalsContact O-N 3.09Å; I112-E115 WeakPolarHBondContact CA-OE1 3.37Å; I112-E115 WeakPolarHBondContact CG2-OE1 3.42Å; I112-E115 VanDerWaalsContact O-CB 3.25Å; I112-E115 WeakPolarHBondContact O-CB 3.23Å; I112-E115 WeakPolarHBondContact O-CG 3.39Å; I112-E115 PolarHBondContact O-N 3.08Å; I112-E115 VanDerWaalsContact O-N 3.13Å
113S61.4Low56.7Low88 Ų8854.9 Ų54.962%0.61528%0.283SS*.Hα-helixtrans-63.5-23.3-177.6710000115.4D109 R110D109-S113 WeakPolarHBondContact O-CB 3.4Å; D109-S113 PolarHBondContact O-N 3.41Å; D109-S113 PolarHBondContact O-OG 3.36Å; R110-S113 WeakPolarHBondContact CA-OG 3.2Å; R110-S113 PolarHBondContact O-N 2.82Å; R110-S113 PolarHBondContact O-OG 2.89Å
114K57.7Low56.3Low111 Ų11155.7 Ų55.748%0.48329%0.294SS..THydrogen-bonded Turntrans-114.320.2-179.4-66.9-168.6176.7-161.70112.3R110 L111 I112 W116 V117 Y118R110-K114 PolarHBondContact O-N 3.09Å; L111-K114 PolarHBondContact O-N 3.36Å; I112-K114 PolarHBondContact O-N 2.97Å; I112-K114 VanDerWaalsContact O-N 3.09Å; K114-W116 VanDerWaalsContact C-N 3.26Å; K114-W116 PolarHBondContact O-N 2.89Å; K114-V117 PolarHBondContact O-N 3.45Å; K114-Y118 HydrophobicContact CB-CD2 3.9Å; K114-Y118 HydrophobicContact CB-CE2 3.4Å; K114-Y118 VanDerWaalsContact CB-CE2 3.4Å; K114-Y118 HydrophobicContact CD-CE2 4.17Å; K114-Y118 HydrophobicContact CG-CE2 4.34Å
115E52.5Low55.9Low26 Ų2654.7 Ų54.712%0.12128%0.281CS..Hα-helixtrans-29.8-49.1-172.1-108.7145-163.100116.2F10 L35 L111 I112 V117 Y118 M119F10-E115 WeakPolarHBondContact CD1-OE1 3.35Å; F10-E115 HydrophobicContact CE1-CG 3.93Å; F10-E115 WeakPolarHBondContact CE1-OE1 3.42Å; F10-E115 WeakPolarHBondContact CE1-OE2 3.29Å; F10-E115 HydrophobicContact CZ-CG 4.27Å; F10-E115 VanDerWaalsContact CZ-OE2 3.31Å; F10-E115 WeakPolarHBondContact CZ-OE2 3.39Å; L35-E115 HydrophobicContact CD2-CG 3.57Å; L111-E115 WeakPolarHBondContact O-CA 3.3Å; L111-E115 PolarHBondContact O-N 2.78Å; L111-E115 VanDerWaalsContact O-N 3.15Å; I112-E115 WeakPolarHBondContact CA-OE1 3.37Å; I112-E115 WeakPolarHBondContact CG2-OE1 3.42Å; I112-E115 VanDerWaalsContact O-CB 3.25Å; I112-E115 WeakPolarHBondContact O-CB 3.23Å; I112-E115 WeakPolarHBondContact O-CG 3.39Å; I112-E115 PolarHBondContact O-N 3.08Å; I112-E115 VanDerWaalsContact O-N 3.13Å; E115-V117 PolarHBondContact O-N 3.32Å; E115-Y118 PolarHBondContact O-N 3.09Å; E115-M119 WeakPolarHBondContact O-CG 3.44Å; E115-M119 PolarHBondContact O-N 3.18Å
116W50.3Low55.3Low162 Ų16255.3 Ų55.361%0.61429%0.287SS*.Hα-helixtrans-68.7-35-172.5-60.495.5000113.5Y42 K114 Y118Y42-W116 AromaticContact CD1-CH2 3.85Å; Y42-W116 HydrophobicContact CD1-CH2 3.85Å; Y42-W116 HydrophobicContact CD2-CH2 4.19Å; Y42-W116 AromaticContact CE1-CH2 3.66Å; Y42-W116 HydrophobicContact CE1-CH2 3.66Å; Y42-W116 HydrophobicContact CE1-CZ2 4.36Å; Y42-W116 HydrophobicContact CE2-CH2 4.02Å; Y42-W116 HydrophobicContact CE2-CZ2 4.3Å; Y42-W116 HydrophobicContact CG-CH2 4.1Å; Y42-W116 AromaticContact CZ-CH2 3.74Å; K114-W116 VanDerWaalsContact C-N 3.26Å; K114-W116 PolarHBondContact O-N 2.89Å; W116-Y118 VanDerWaalsContact C-N 3.3Å; W116-Y118 PolarHBondContact O-N 3.45Å
117V50.8Low54.7Low92 Ų9253.7 Ų53.756%0.55827%0.272SS*.Hα-helixtrans-76-24.1-174.6-175.60000111.4K114 E115K114-V117 PolarHBondContact O-N 3.45Å; E115-V117 PolarHBondContact O-N 3.32Å
118Y51.2Low54.2Low25 Ų2555.9 Ų55.910%0.09829%0.285CS..Hα-helixtrans-96.1-17-175.1-61.6-55.8000114.3Y91 L111 K114 E115 W116 P120 F121 I122Y91-Y118 AromaticContact CD1-CD1 4Å; Y91-Y118 HydrophobicContact CD1-CD1 4Å; Y91-Y118 AromaticContact CD1-CE1 3.78Å; Y91-Y118 HydrophobicContact CD1-CE1 3.78Å; Y91-Y118 AromaticContact CE1-CD1 3.81Å; Y91-Y118 HydrophobicContact CE1-CD1 3.81Å; Y91-Y118 AromaticContact CE1-CE1 3.48Å; Y91-Y118 HydrophobicContact CE1-CE1 3.48Å; Y91-Y118 VanDerWaalsContact CE1-CE1 3.48Å; L111-Y118 HydrophobicContact CD2-CD2 3.74Å; L111-Y118 HydrophobicContact CD2-CE2 4.13Å; L111-Y118 HydrophobicContact CD2-CG 4Å; K114-Y118 HydrophobicContact CB-CD2 3.9Å; K114-Y118 HydrophobicContact CB-CE2 3.4Å; K114-Y118 VanDerWaalsContact CB-CE2 3.4Å; K114-Y118 HydrophobicContact CD-CE2 4.17Å; K114-Y118 HydrophobicContact CG-CE2 4.34Å; E115-Y118 PolarHBondContact O-N 3.09Å; W116-Y118 VanDerWaalsContact C-N 3.3Å; W116-Y118 PolarHBondContact O-N 3.45Å; Y118-P120 VanDerWaalsContact C-CD 3.5Å; Y118-F121 PolarHBondContact O-N 3.37Å; Y118-I122 WeakPolarHBondContact O-CG1 3.48Å; Y118-I122 PolarHBondContact O-N 3.26Å
119M54.2Low53.7Low26 Ų2660.8 Ų60.813%0.12831%0.306CS..Hα-helixtrans-52.3-45.8-178.1-82.9-65.4167.500114.5L35 R39 E115 F121 I122 H123L35-M119 HydrophobicContact CB-CE 3.63Å; L35-M119 HydrophobicContact CD2-CE 3.74Å; L35-M119 HydrophobicContact CG-CE 4.19Å; L35-M119 WeakPolarHBondContact O-CE 3.49Å; R39-M119 HydrophobicContact CB-SD 4.05Å; E115-M119 WeakPolarHBondContact O-CG 3.44Å; E115-M119 PolarHBondContact O-N 3.18Å; M119-F121 PolarHBondContact O-N 3.44Å; M119-I122 PolarHBondContact O-N 3.13Å; M119-H123 WeakPolarHBondContact O-CB 3.38Å; M119-H123 PolarHBondContact O-N 3.23Å
120P53Low52.8Low61 Ų6160.4 Ų60.440%0.39631%0.309SS..Hα-helixtrans-60.5-35.1179.4-23.433.9000112.7V83 Y118 H123 A124V83-P120 HydrophobicContact CG2-CB 3.59Å; Y118-P120 VanDerWaalsContact C-CD 3.5Å; P120-H123 WeakPolarHBondContact O-CB 3.41Å; P120-A124 PolarHBondContact O-N 2.88Å
121F52.9Low52.2Low8 Ų856.6 Ų56.64%0.03530%0.297CS..Hα-helixtrans-76.2-43.3179.7-178.7-95.2000112.5Y91 Q92 F95 L97 Y118 M119 H123 A124 Y125Y91-F121 HydrophobicContact CD2-CB 3.84Å; Y91-F121 AromaticContact CD2-CD2 3.8Å; Y91-F121 HydrophobicContact CD2-CD2 3.8Å; Y91-F121 AromaticContact CD2-CG 3.81Å; Y91-F121 HydrophobicContact CD2-CG 3.81Å; Y91-F121 HydrophobicContact CE2-CB 4.44Å; Y91-F121 HydrophobicContact CG-CB 4.45Å; Y91-F121 HydrophobicContact CG-CD1 4.45Å; Y91-F121 HydrophobicContact CG-CD2 4.21Å; Y91-F121 HydrophobicContact CG-CG 4.1Å; Q92-F121 HydrophobicContact CB-CZ 4.44Å; Q92-F121 HydrophobicContact CG-CE2 4.04Å; Q92-F121 HydrophobicContact CG-CZ 3.74Å; F95-F121 AromaticContact CD2-CD1 3.99Å; F95-F121 HydrophobicContact CD2-CD1 3.99Å; F95-F121 AromaticContact CD2-CE1 3.56Å; F95-F121 HydrophobicContact CD2-CE1 3.56Å; F95-F121 AromaticContact CE2-CD1 3.59Å; F95-F121 HydrophobicContact CE2-CD1 3.59Å; F95-F121 AromaticContact CE2-CE1 3.67Å; F95-F121 HydrophobicContact CE2-CE1 3.67Å; F95-F121 HydrophobicContact CZ-CD1 4.38Å; L97-F121 HydrophobicContact CD1-CE1 3.65Å; L97-F121 HydrophobicContact CD1-CZ 4.05Å; Y118-F121 PolarHBondContact O-N 3.37Å; M119-F121 PolarHBondContact O-N 3.44Å; F121-H123 PolarHBondContact O-N 2.91Å; F121-A124 PolarHBondContact O-N 3.38Å; F121-A124 VanDerWaalsContact O-N 3.15Å; F121-Y125 PolarHBondContact O-N 3.44Å
122I52.7Low51.7Low4 Ų462.5 Ų62.52%0.02132%0.322CS..Hα-helixtrans-56.3-43.5174-67.8173000109.7L32 L35 F95 Y118 M119 Y125 L126L32-I122 HydrophobicContact CB-CG2 4.41Å; L32-I122 HydrophobicContact CD2-CB 4.01Å; L32-I122 HydrophobicContact CD2-CD1 3.68Å; L32-I122 HydrophobicContact CD2-CG1 3.47Å; L32-I122 VanDerWaalsContact CD2-CG1 3.47Å; L32-I122 HydrophobicContact CD2-CG2 3.55Å; L35-I122 HydrophobicContact CD1-CD1 3.54Å; F95-I122 HydrophobicContact CZ-CG1 4.36Å; Y118-I122 WeakPolarHBondContact O-CG1 3.48Å; Y118-I122 PolarHBondContact O-N 3.26Å; M119-I122 PolarHBondContact O-N 3.13Å; I122-Y125 PolarHBondContact O-N 3.03Å; I122-L126 HydrophobicContact CG2-CD1 3.93Å; I122-L126 HydrophobicContact CG2-CG 4.47Å; I122-L126 WeakPolarHBondContact O-CB 3.41Å; I122-L126 WeakPolarHBondContact O-CG 3.49Å; I122-L126 PolarHBondContact O-N 2.93Å
123H53.6Low50.4Low32 Ų3266 Ų6615%0.14834%0.34CS..Hα-helixtrans-58.7-52.8173.9-177.8-102000111.8M119 P120 F121 Y125 L126 L127M119-H123 WeakPolarHBondContact O-CB 3.38Å; M119-H123 PolarHBondContact O-N 3.23Å; P120-H123 WeakPolarHBondContact O-CB 3.41Å; F121-H123 PolarHBondContact O-N 2.91Å; H123-Y125 VanDerWaalsContact C-N 3.28Å; H123-Y125 PolarHBondContact O-N 2.89Å; H123-L126 PolarHBondContact O-N 3.34Å; H123-L127 WeakPolarHBondContact O-CB 3.36Å; H123-L127 PolarHBondContact O-N 3.48Å
124A52.6Low48.9Very low40 Ų4067.6 Ų67.633%0.33134%0.34SS..Hα-helixtrans-58.3-38.8178.800000112.9P120 F121 S128P120-A124 PolarHBondContact O-N 2.88Å; F121-A124 PolarHBondContact O-N 3.38Å; F121-A124 VanDerWaalsContact O-N 3.15Å; A124-S128 VanDerWaalsContact O-CB 3.3Å; A124-S128 WeakPolarHBondContact O-CB 3.36Å; A124-S128 PolarHBondContact O-N 3.26Å
125Y50Low48.4Very low51 Ų5170.2 Ų70.220%0.235%0.346CS..Hα-helixtrans-67-49.6177.1-179.7-101.8000112.4L32 L97 F121 I122 H123 L127 S128 K129L32-Y125 HydrophobicContact CD1-CD1 4.28Å; L32-Y125 HydrophobicContact CD1-CE1 4.4Å; L97-Y125 HydrophobicContact CB-CD2 4.15Å; L97-Y125 HydrophobicContact CB-CE2 3.44Å; L97-Y125 VanDerWaalsContact CB-CE2 3.44Å; L97-Y125 HydrophobicContact CD1-CD1 4.31Å; L97-Y125 HydrophobicContact CD1-CD2 3.55Å; L97-Y125 HydrophobicContact CD1-CE1 4.48Å; L97-Y125 HydrophobicContact CD1-CE2 3.73Å; L97-Y125 HydrophobicContact CD1-CG 3.83Å; L97-Y125 HydrophobicContact CD2-CE1 4.13Å; L97-Y125 HydrophobicContact CD2-CE2 4.32Å; L97-Y125 HydrophobicContact CG-CD2 4.3Å; L97-Y125 HydrophobicContact CG-CE2 3.97Å; L97-Y125 PolarHBondContact O-OH 3.22Å; L97-Y125 VanDerWaalsContact O-OH 3.05Å; F121-Y125 PolarHBondContact O-N 3.44Å; I122-Y125 PolarHBondContact O-N 3.03Å; H123-Y125 VanDerWaalsContact C-N 3.28Å; H123-Y125 PolarHBondContact O-N 2.89Å; Y125-L127 VanDerWaalsContact C-N 3.31Å; Y125-L127 PolarHBondContact O-N 2.75Å; Y125-S128 WeakPolarHBondContact O-CB 3.41Å; Y125-S128 PolarHBondContact O-N 3.01Å; Y125-K129 HydrophobicContact CE1-CG 4.07Å; Y125-K129 HydrophobicContact CE2-CG 4.47Å; Y125-K129 PolarHBondContact O-N 3.1Å; Y125-K129 WeakPolarHBondContact OH-CE 3.42Å
126L48.9Very low47.6Very low54 Ų5475.3 Ų75.328%0.28337%0.368SS..Hα-helixtrans-61.2-41.3177.8-72173.6000111.2H36 I122 H123 S128 K129 S130H36-L126 HydrophobicContact CB-CD1 4.19Å; I122-L126 HydrophobicContact CG2-CD1 3.93Å; I122-L126 HydrophobicContact CG2-CG 4.47Å; I122-L126 WeakPolarHBondContact O-CB 3.41Å; I122-L126 WeakPolarHBondContact O-CG 3.49Å; I122-L126 PolarHBondContact O-N 2.93Å; H123-L126 PolarHBondContact O-N 3.34Å; L126-S128 PolarHBondContact O-N 3.28Å; L126-K129 PolarHBondContact O-N 2.92Å; L126-S130 WeakPolarHBondContact O-CB 3.33Å; L126-S130 PolarHBondContact O-N 3.16Å; L126-S130 PolarHBondContact O-OG 3.42Å
127L51.3Low46.1Very low49 Ų4973.4 Ų73.426%0.25737%0.367SS..Hα-helixtrans-65.7-37.2176.9-141.996.9000112.3M80 H123 Y125 S130 K131M80-L127 HydrophobicContact CE-CD2 3.81Å; H123-L127 WeakPolarHBondContact O-CB 3.36Å; H123-L127 PolarHBondContact O-N 3.48Å; Y125-L127 VanDerWaalsContact C-N 3.31Å; Y125-L127 PolarHBondContact O-N 2.75Å; L127-S130 WeakPolarHBondContact CA-OG 3.27Å; L127-S130 PolarHBondContact O-OG 2.77Å; L127-K131 VanDerWaalsContact O-CB 3.3Å; L127-K131 WeakPolarHBondContact O-CB 3.38Å; L127-K131 VanDerWaalsContact O-CG 3.26Å; L127-K131 WeakPolarHBondContact O-CG 3.35Å; L127-K131 PolarHBondContact O-N 3.47Å
128S50.2Low45.4Very low76 Ų7676.2 Ų76.253%0.53137%0.372SS..Hα-helixtrans-66.1-43.3174.9-179.20000111.5A124 Y125 L126 K131 K132A124-S128 VanDerWaalsContact O-CB 3.3Å; A124-S128 WeakPolarHBondContact O-CB 3.36Å; A124-S128 PolarHBondContact O-N 3.26Å; Y125-S128 WeakPolarHBondContact O-CB 3.41Å; Y125-S128 PolarHBondContact O-N 3.01Å; L126-S128 PolarHBondContact O-N 3.28Å; S128-K131 PolarHBondContact O-N 2.86Å; S128-K132 WeakPolarHBondContact O-CB 3.37Å; S128-K132 PolarHBondContact O-N 2.95Å
129K49Very low44.9Very low103 Ų10384 Ų8445%0.44840%0.401SS..Hα-helixtrans-63.7-46.3174.4-84.5-93.6-172.9156.90111.8Y125 L126 K131 K132 I133Y125-K129 HydrophobicContact CE1-CG 4.07Å; Y125-K129 HydrophobicContact CE2-CG 4.47Å; Y125-K129 PolarHBondContact O-N 3.1Å; Y125-K129 WeakPolarHBondContact OH-CE 3.42Å; L126-K129 PolarHBondContact O-N 2.92Å; K129-K131 PolarHBondContact O-N 3.19Å; K129-K132 WeakPolarHBondContact O-CB 3.24Å; K129-K132 PolarHBondContact O-N 2.76Å; K129-K132 VanDerWaalsContact O-N 3.1Å; K129-I133 WeakPolarHBondContact O-CG1 3.5Å; K129-I133 PolarHBondContact O-N 3.41Å
130S43.1Very low43.7Very low60 Ų6087.6 Ų87.642%0.4242%0.42SS..Hα-helixtrans-63.2-42.4177.970.80000111.3L126 L127 K132 I133 M134L126-S130 WeakPolarHBondContact O-CB 3.33Å; L126-S130 PolarHBondContact O-N 3.16Å; L126-S130 PolarHBondContact O-OG 3.42Å; L127-S130 WeakPolarHBondContact CA-OG 3.27Å; L127-S130 PolarHBondContact O-OG 2.77Å; S130-K132 VanDerWaalsContact C-N 3.32Å; S130-K132 PolarHBondContact O-N 3.44Å; S130-I133 PolarHBondContact O-N 3.3Å; S130-M134 VanDerWaalsContact O-CB 3.29Å; S130-M134 WeakPolarHBondContact O-CB 3.21Å; S130-M134 PolarHBondContact O-N 2.63Å
131K47.4Very low42.5Very low84 Ų8489.7 Ų89.737%0.36543%0.431SS..Hα-helixtrans-60.1-39.4171.3-77.4177.1-179.2178.80112.1L127 S128 K129 R135L127-K131 VanDerWaalsContact O-CB 3.3Å; L127-K131 WeakPolarHBondContact O-CB 3.38Å; L127-K131 VanDerWaalsContact O-CG 3.26Å; L127-K131 WeakPolarHBondContact O-CG 3.35Å; L127-K131 PolarHBondContact O-N 3.47Å; S128-K131 PolarHBondContact O-N 2.86Å; K129-K131 PolarHBondContact O-N 3.19Å; K131-R135 WeakPolarHBondContact O-CB 3.5Å; K131-R135 VanDerWaalsContact O-CG 3.25Å; K131-R135 WeakPolarHBondContact O-CG 3.45Å; K131-R135 PolarHBondContact O-N 2.9Å
132K46Very low42.4Very low136 Ų13693.6 Ų93.659%0.59146%0.46SS*.Hα-helixtrans-67.4-40.5176.9-166.8173.3-176.8175.20111.6S128 K129 S130 K136S128-K132 WeakPolarHBondContact O-CB 3.37Å; S128-K132 PolarHBondContact O-N 2.95Å; K129-K132 WeakPolarHBondContact O-CB 3.24Å; K129-K132 PolarHBondContact O-N 2.76Å; K129-K132 VanDerWaalsContact O-N 3.1Å; S130-K132 VanDerWaalsContact C-N 3.32Å; S130-K132 PolarHBondContact O-N 3.44Å; K132-K136 WeakPolarHBondContact O-CG 3.32Å; K132-K136 PolarHBondContact O-N 2.77Å
133I29.7Very low42.4Very low98 Ų9898.3 Ų98.350%0.50349%0.493SS..Hα-helixtrans-65-48.6174.6-67.8166.5000110K129 S130 R135 K136 M137K129-I133 WeakPolarHBondContact O-CG1 3.5Å; K129-I133 PolarHBondContact O-N 3.41Å; S130-I133 PolarHBondContact O-N 3.3Å; I133-R135 PolarHBondContact O-N 3.34Å; I133-K136 CarbonylContact O-C 3.46Å; I133-K136 WeakPolarHBondContact O-CA 3Å; I133-K136 WeakPolarHBondContact O-CB 3.31Å; I133-K136 PolarHBondContact O-N 2.85Å; I133-K136 VanDerWaalsContact O-N 3.08Å; I133-M137 HydrophobicContact CG2-SD 4.4Å; I133-M137 PolarHBondContact O-N 3.19Å
134M29.3Very low42Very low122 Ų122107.9 Ų107.960%0.60154%0.535SS*.Hα-helixtrans-61.7-40.8178.1-174.8175.66000112S130 M137 K138S130-M134 VanDerWaalsContact O-CB 3.29Å; S130-M134 WeakPolarHBondContact O-CB 3.21Å; S130-M134 PolarHBondContact O-N 2.63Å; M134-M137 PolarHBondContact O-N 3.02Å; M134-K138 WeakPolarHBondContact O-CB 2.87Å; M134-K138 PolarHBondContact O-N 2.8Å
135R47Very low41.5Very low166 Ų166111.3 Ų111.363%0.62655%0.545SS*.Hα-helixtrans-63.5-39.6172.7-77.2176.8-173.1165.51.4112.1K131 I133 R139K131-R135 WeakPolarHBondContact O-CB 3.5Å; K131-R135 VanDerWaalsContact O-CG 3.25Å; K131-R135 WeakPolarHBondContact O-CG 3.45Å; K131-R135 PolarHBondContact O-N 2.9Å; I133-R135 PolarHBondContact O-N 3.34Å; R135-R139 WeakPolarHBondContact O-CG 3.45Å; R135-R139 PolarHBondContact O-N 3.49Å; R135-R139 VanDerWaalsContact O-N 3.08Å
136K36Very low41Very low132 Ų132114.4 Ų114.457%0.57456%0.563SS**Hα-helixtrans-63.5-47.4173.8-81.4-174.3172.9-168.60111K132 I133 K138 R139 I140K132-K136 WeakPolarHBondContact O-CG 3.32Å; K132-K136 PolarHBondContact O-N 2.77Å; I133-K136 CarbonylContact O-C 3.46Å; I133-K136 WeakPolarHBondContact O-CA 3Å; I133-K136 WeakPolarHBondContact O-CB 3.31Å; I133-K136 PolarHBondContact O-N 2.85Å; I133-K136 VanDerWaalsContact O-N 3.08Å; K136-K138 PolarHBondContact O-N 2.84Å; K136-R139 PolarHBondContact O-N 3.18Å; K136-I140 WeakPolarHBondContact O-CG1 3.32Å; K136-I140 PolarHBondContact O-N 3.37Å
137M18.7Very low40.6Very low122 Ų122117.8 Ų117.860%0.60158%0.579SS**Hα-helixtrans-59.1-45.9175.7-83.8178.4156.900111.9I133 M134 R139 I140 V141I133-M137 HydrophobicContact CG2-SD 4.4Å; I133-M137 PolarHBondContact O-N 3.19Å; M134-M137 PolarHBondContact O-N 3.02Å; M137-R139 VanDerWaalsContact C-N 3.31Å; M137-R139 PolarHBondContact O-N 3.32Å; M137-I140 WeakPolarHBondContact O-CB 3.23Å; M137-I140 PolarHBondContact O-N 3.24Å; M137-I140 VanDerWaalsContact O-N 3.09Å; M137-V141 WeakPolarHBondContact O-CG2 2.98Å; M137-V141 PolarHBondContact O-N 3.07Å
138K36.9Very low40Very low152 Ų152121.8 Ų121.866%0.66160%0.598SS**Hα-helixtrans-60.5-40178.1-163.4173.4-175.2176.70111.9M134 K136 V141 S142M134-K138 WeakPolarHBondContact O-CB 2.87Å; M134-K138 PolarHBondContact O-N 2.8Å; K136-K138 PolarHBondContact O-N 2.84Å; K138-V141 PolarHBondContact O-N 3.03Å; K138-S142 WeakPolarHBondContact O-CB 3.31Å; K138-S142 PolarHBondContact O-N 2.72Å; K138-S142 PolarHBondContact O-OG 2.89Å
139R39.9Very low39.3Very low187 Ų187124.7 Ų124.771%0.70660%0.602SS**Hα-helixtrans-65-38173.7-73.4-178.7-163.1170.71.1113.1R135 K136 M137 S143R135-R139 WeakPolarHBondContact O-CG 3.45Å; R135-R139 PolarHBondContact O-N 3.49Å; R135-R139 VanDerWaalsContact O-N 3.08Å; K136-R139 PolarHBondContact O-N 3.18Å; M137-R139 VanDerWaalsContact C-N 3.31Å; M137-R139 PolarHBondContact O-N 3.32Å; R139-S143 WeakPolarHBondContact O-CB 3.21Å; R139-S143 PolarHBondContact O-N 3.07Å
140I29Very low38.7Very low102 Ų102126.1 Ų126.152%0.52361%0.612SS.*Hα-helixtrans-64.6-48.6176.4-67.3164.4000109.4K136 M137 S142 S143 F144K136-I140 WeakPolarHBondContact O-CG1 3.32Å; K136-I140 PolarHBondContact O-N 3.37Å; M137-I140 WeakPolarHBondContact O-CB 3.23Å; M137-I140 PolarHBondContact O-N 3.24Å; M137-I140 VanDerWaalsContact O-N 3.09Å; I140-S142 PolarHBondContact O-N 3.05Å; I140-S143 WeakPolarHBondContact O-CB 3.14Å; I140-S143 PolarHBondContact O-N 2.93Å; I140-S143 VanDerWaalsContact O-N 3.09Å; I140-F144 HydrophobicContact CG2-CD2 4.48Å; I140-F144 HydrophobicContact CG2-CE2 4.15Å; I140-F144 WeakPolarHBondContact O-CD2 3.31Å
141V29.1Very low38.4Very low105 Ų105130.9 Ų130.964%0.63663%0.626SS**Hα-helixtrans-63.9-38.7179.1175.60000111.8M137 K138 S143 F144M137-V141 WeakPolarHBondContact O-CG2 2.98Å; M137-V141 PolarHBondContact O-N 3.07Å; K138-V141 PolarHBondContact O-N 3.03Å; V141-S143 PolarHBondContact O-N 3.07Å; V141-F144 PolarHBondContact O-N 2.87Å
142S50.7Low37.7Very low90 Ų90134.5 Ų134.563%0.62965%0.646SS**THydrogen-bonded Turntrans-74.9-5.3175.8-58.40000114.5K138 I140K138-S142 WeakPolarHBondContact O-CB 3.31Å; K138-S142 PolarHBondContact O-N 2.72Å; K138-S142 PolarHBondContact O-OG 2.89Å; I140-S142 PolarHBondContact O-N 3.05Å
143S50.9Low37Very low103 Ų103134.3 Ų134.372%0.7265%0.65SS**THydrogen-bonded Turntrans-96.5-6.3175.3-172.80000112.6R139 I140 V141R139-S143 WeakPolarHBondContact O-CB 3.21Å; R139-S143 PolarHBondContact O-N 3.07Å; I140-S143 WeakPolarHBondContact O-CB 3.14Å; I140-S143 PolarHBondContact O-N 2.93Å; I140-S143 VanDerWaalsContact O-N 3.09Å; V141-S143 PolarHBondContact O-N 3.07Å
144F46.4Very low37.6Very low233 Ų233137.6 Ų137.6100%1.02266%0.664SS**  trans-1000166.7-75.5-80.6000109.1I140 V141I140-F144 HydrophobicContact CG2-CD2 4.48Å; I140-F144 HydrophobicContact CG2-CE2 4.15Å; I140-F144 WeakPolarHBondContact O-CD2 3.31Å; V141-F144 PolarHBondContact O-N 2.87Å

Retrieved 144 of 144 residues in 158.6 ms (Link to these results)

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