A0A5K4FGQ0_SCHMA Loading...

Gp18-22 Sm

AlphaFold DB , UniProt , Accession A0A5K4FGQ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 136 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
1M47.7Very low59.3Low243 Ų243102.5 Ų102.5100%1.19749%0.485SS*.  0121.90-94.7178.316800107.3W3M1-W3 PolarHBondContact O-N 3.18Å
2N57.6Low59.7Low112 Ų112106.3 Ų106.360%0.59949%0.493SS*.  trans-64.1127.3-175.3-79.2-25.7000110.2I4 V5N2-I4 HydrophobicContact CB-CB 4.27Å; N2-I4 PolarHBondContact O-N 3.34Å; N2-V5 HydrophobicContact CB-CG2 4.13Å; N2-V5 WeakPolarHBondContact O-CB 3Å; N2-V5 PolarHBondContact O-N 2.83Å
3W59.9Low60.1Low131 Ų131103.2 Ų103.250%0.49648%0.481SS..Hα-helixtrans-47.3-32173.471.6-79.8000112.7M1 V5 W6 K7 M133M1-W3 PolarHBondContact O-N 3.18Å; W3-V5 PolarHBondContact O-N 3.29Å; W3-W6 WeakPolarHBondContact O-CB 3.14Å; W3-W6 PolarHBondContact O-N 2.93Å; W3-W6 VanDerWaalsContact O-N 3.1Å; W3-K7 HydrophobicContact CE3-CD 3.91Å; W3-K7 HydrophobicContact CE3-CG 4.3Å; W3-K7 HydrophobicContact CH2-CD 4.44Å; W3-K7 HydrophobicContact CZ3-CD 3.56Å; W3-K7 HydrophobicContact CZ3-CG 4.44Å; W3-K7 PolarHBondContact O-N 3.47Å; W3-M133 HydrophobicContact CH2-CE 4.43Å; W3-M133 HydrophobicContact CH2-SD 4.09Å; W3-M133 HydrophobicContact CZ2-CE 3.94Å; W3-M133 HydrophobicContact CZ2-SD 4.18Å
4I60.6Low60.2Low54 Ų5499.3 Ų99.328%0.27747%0.471SS..Hα-helixtrans-55.2-44.9173.1-63.1169.2000112.6N2 W6 K7 L8 M133N2-I4 HydrophobicContact CB-CB 4.27Å; N2-I4 PolarHBondContact O-N 3.34Å; I4-W6 PolarHBondContact O-N 3.41Å; I4-K7 PolarHBondContact O-N 2.89Å; I4-L8 HydrophobicContact CG2-CD1 4.26Å; I4-L8 WeakPolarHBondContact O-CG 3.29Å; I4-L8 PolarHBondContact O-N 3.23Å; I4-M133 HydrophobicContact CB-CE 4.31Å; I4-M133 HydrophobicContact CD1-CE 3.23Å; I4-M133 HydrophobicContact CG1-CE 3.29Å; I4-M133 HydrophobicContact CG1-SD 3.99Å; I4-M133 HydrophobicContact CG2-CE 4.15Å; I4-M133 HydrophobicContact CG2-SD 4.39Å
5V60.6Low60.4Low89 Ų8995.6 Ų95.654%0.53946%0.455SS..Hα-helixtrans-65.6-35179.7178.70000109.8N2 W3 L8 F9N2-V5 HydrophobicContact CB-CG2 4.13Å; N2-V5 WeakPolarHBondContact O-CB 3Å; N2-V5 PolarHBondContact O-N 2.83Å; W3-V5 PolarHBondContact O-N 3.29Å; V5-L8 PolarHBondContact O-N 3.5Å; V5-F9 VanDerWaalsContact O-CB 3.3Å; V5-F9 WeakPolarHBondContact O-CB 3.18Å; V5-F9 PolarHBondContact O-N 3.27Å
6W60.5Low60.7Low166 Ų16694.6 Ų94.663%0.62945%0.453SS*.Hα-helixtrans-70.7-40.5178-151.676.8000112W3 I4 F9 I10W3-W6 WeakPolarHBondContact O-CB 3.14Å; W3-W6 PolarHBondContact O-N 2.93Å; W3-W6 VanDerWaalsContact O-N 3.1Å; I4-W6 PolarHBondContact O-N 3.41Å; W6-F9 PolarHBondContact O-N 3.44Å; W6-I10 HydrophobicContact CD2-CD1 3.96Å; W6-I10 HydrophobicContact CE3-CD1 3.31Å; W6-I10 HydrophobicContact CE3-CG1 4.33Å; W6-I10 HydrophobicContact CH2-CD1 3.56Å; W6-I10 HydrophobicContact CZ2-CD1 4.15Å; W6-I10 HydrophobicContact CZ3-CD1 3.11Å; W6-I10 HydrophobicContact CZ3-CG1 4.33Å; W6-I10 PolarHBondContact O-N 3.28Å
7K61.4Low60.7Low39 Ų3995 Ų9517%0.1746%0.457CS..Hα-helixtrans-59.2-48.1171.2-77.7-163.8166.6-165.60111.7W3 I4 F9 I10 I11 L84 E87W3-K7 HydrophobicContact CE3-CD 3.91Å; W3-K7 HydrophobicContact CE3-CG 4.3Å; W3-K7 HydrophobicContact CH2-CD 4.44Å; W3-K7 HydrophobicContact CZ3-CD 3.56Å; W3-K7 HydrophobicContact CZ3-CG 4.44Å; W3-K7 PolarHBondContact O-N 3.47Å; I4-K7 PolarHBondContact O-N 2.89Å; K7-F9 VanDerWaalsContact C-N 3.29Å; K7-F9 PolarHBondContact O-N 2.78Å; K7-I10 PolarHBondContact O-N 3.46Å; K7-I11 WeakPolarHBondContact O-CD1 3.34Å; K7-I11 VanDerWaalsContact O-CG1 3.3Å; K7-I11 WeakPolarHBondContact O-CG1 3.46Å; K7-I11 PolarHBondContact O-N 3.43Å; K7-L84 HydrophobicContact CD-CD1 4.5Å; K7-E87 IonicContact NZ-OE1 3.52Å; K7-E87 IonicContact NZ-OE2 2.77Å; K7-E87 PolarHBondContact NZ-OE2 3.49Å
8L58.9Low60.9Low99 Ų9992.2 Ų92.252%0.51844%0.443SS..Hα-helixtrans-61-39.3176.8-71.3172.9000112I4 V5 I11 Y12I4-L8 HydrophobicContact CG2-CD1 4.26Å; I4-L8 WeakPolarHBondContact O-CG 3.29Å; I4-L8 PolarHBondContact O-N 3.23Å; V5-L8 PolarHBondContact O-N 3.5Å; L8-I11 PolarHBondContact O-N 3.38Å; L8-Y12 WeakPolarHBondContact O-CB 3.39Å; L8-Y12 PolarHBondContact O-N 2.99Å
9F60.7Low60.9Low121 Ų12190.1 Ų90.153%0.53144%0.439SS..Hα-helixtrans-64.4-45.6179-174.5-101000112.3V5 W6 K7 I11 Y12 I13V5-F9 VanDerWaalsContact O-CB 3.3Å; V5-F9 WeakPolarHBondContact O-CB 3.18Å; V5-F9 PolarHBondContact O-N 3.27Å; W6-F9 PolarHBondContact O-N 3.44Å; K7-F9 VanDerWaalsContact C-N 3.29Å; K7-F9 PolarHBondContact O-N 2.78Å; F9-I11 VanDerWaalsContact C-N 3.33Å; F9-I11 PolarHBondContact O-N 3.13Å; F9-Y12 PolarHBondContact O-N 3.12Å; F9-I13 HydrophobicContact CD1-CG1 4.2Å; F9-I13 HydrophobicContact CE1-CD1 4.36Å; F9-I13 HydrophobicContact CE1-CG1 3.85Å; F9-I13 HydrophobicContact CE2-CD1 4.36Å; F9-I13 HydrophobicContact CE2-CG1 4.31Å; F9-I13 HydrophobicContact CZ-CD1 3.97Å; F9-I13 HydrophobicContact CZ-CG1 3.91Å; F9-I13 VanDerWaalsContact O-CG1 3.28Å; F9-I13 WeakPolarHBondContact O-CG1 3.28Å; F9-I13 PolarHBondContact O-N 3.47Å
10I63.1Low60.8Low44 Ų4490.4 Ų90.423%0.22644%0.442CS..Hα-helixtrans-61.8-43.9178.1-71.1167.5000111.3W6 K7 I13 S14 L88W6-I10 HydrophobicContact CD2-CD1 3.96Å; W6-I10 HydrophobicContact CE3-CD1 3.31Å; W6-I10 HydrophobicContact CE3-CG1 4.33Å; W6-I10 HydrophobicContact CH2-CD1 3.56Å; W6-I10 HydrophobicContact CZ2-CD1 4.15Å; W6-I10 HydrophobicContact CZ3-CD1 3.11Å; W6-I10 HydrophobicContact CZ3-CG1 4.33Å; W6-I10 PolarHBondContact O-N 3.28Å; K7-I10 PolarHBondContact O-N 3.46Å; I10-I13 PolarHBondContact O-N 3.01Å; I10-S14 WeakPolarHBondContact O-CB 3.3Å; I10-S14 PolarHBondContact O-N 3.39Å; I10-S14 PolarHBondContact O-OG 2.96Å; I10-L88 HydrophobicContact CG2-CD1 4.39Å
11I61.1Low60.7Low29 Ų2993.7 Ų93.715%0.14945%0.454CS..Hα-helixtrans-66.9-42.1-178.2-65.3168.9000110K7 L8 F9 S14 L15 L91 L129K7-I11 WeakPolarHBondContact O-CD1 3.34Å; K7-I11 VanDerWaalsContact O-CG1 3.3Å; K7-I11 WeakPolarHBondContact O-CG1 3.46Å; K7-I11 PolarHBondContact O-N 3.43Å; L8-I11 PolarHBondContact O-N 3.38Å; F9-I11 VanDerWaalsContact C-N 3.33Å; F9-I11 PolarHBondContact O-N 3.13Å; I11-S14 PolarHBondContact O-N 3.03Å; I11-L15 HydrophobicContact CG2-CD1 3.91Å; I11-L15 WeakPolarHBondContact O-CB 3.35Å; I11-L15 PolarHBondContact O-N 3.36Å; I11-L91 HydrophobicContact CG1-CD2 4.31Å; I11-L129 HydrophobicContact CD1-CD1 3.52Å; I11-L129 HydrophobicContact CD1-CD2 3.69Å; I11-L129 HydrophobicContact CD1-CG 4.26Å; I11-L129 HydrophobicContact CG2-CD1 4.08Å
12Y64Low61.2Low149 Ų14984.7 Ų84.758%0.58441%0.41SS*.Hα-helixtrans-58-49173.5178.4-99.4000112.2L8 F9 S14 L15 D16L8-Y12 WeakPolarHBondContact O-CB 3.39Å; L8-Y12 PolarHBondContact O-N 2.99Å; F9-Y12 PolarHBondContact O-N 3.12Å; Y12-S14 VanDerWaalsContact C-N 3.29Å; Y12-S14 PolarHBondContact O-N 2.92Å; Y12-L15 PolarHBondContact O-N 2.83Å; Y12-D16 WeakPolarHBondContact O-CB 3.26Å; Y12-D16 PolarHBondContact O-N 3.43Å
13I64.7Low61.1Low65 Ų6583.1 Ų83.133%0.33341%0.405SS..Hα-helixtrans-62.5-38.4177.3-66.6-71.5000111.2F9 I10 D16 L17F9-I13 HydrophobicContact CD1-CG1 4.2Å; F9-I13 HydrophobicContact CE1-CD1 4.36Å; F9-I13 HydrophobicContact CE1-CG1 3.85Å; F9-I13 HydrophobicContact CE2-CD1 4.36Å; F9-I13 HydrophobicContact CE2-CG1 4.31Å; F9-I13 HydrophobicContact CZ-CD1 3.97Å; F9-I13 HydrophobicContact CZ-CG1 3.91Å; F9-I13 VanDerWaalsContact O-CG1 3.28Å; F9-I13 WeakPolarHBondContact O-CG1 3.28Å; F9-I13 PolarHBondContact O-N 3.47Å; I10-I13 PolarHBondContact O-N 3.01Å; I13-D16 PolarHBondContact O-N 3.33Å; I13-L17 HydrophobicContact CG2-CD1 3.82Å; I13-L17 HydrophobicContact CG2-CG 4.34Å; I13-L17 WeakPolarHBondContact O-CB 3.12Å; I13-L17 VanDerWaalsContact O-CG 3.26Å; I13-L17 WeakPolarHBondContact O-CG 3.11Å; I13-L17 PolarHBondContact O-N 3.39Å
14S62.2Low60.7Low49 Ų4981 Ų8134%0.34340%0.403SS..Hα-helixtrans-68-39.7-180-57.70000111.7I10 I11 Y12 F18I10-S14 WeakPolarHBondContact O-CB 3.3Å; I10-S14 PolarHBondContact O-N 3.39Å; I10-S14 PolarHBondContact O-OG 2.96Å; I11-S14 PolarHBondContact O-N 3.03Å; Y12-S14 VanDerWaalsContact C-N 3.29Å; Y12-S14 PolarHBondContact O-N 2.92Å; S14-F18 WeakPolarHBondContact O-CB 3.39Å; S14-F18 PolarHBondContact O-N 3.44Å
15L62.5Low60.2Low44 Ų4482.4 Ų82.423%0.2342%0.418CS..Hα-helixtrans-64-46.7172.4-88.4152.1000111.5I11 Y12 F18 S19I11-L15 HydrophobicContact CG2-CD1 3.91Å; I11-L15 WeakPolarHBondContact O-CB 3.35Å; I11-L15 PolarHBondContact O-N 3.36Å; Y12-L15 PolarHBondContact O-N 2.83Å; L15-F18 PolarHBondContact O-N 3.02Å; L15-S19 PolarHBondContact O-N 3.48Å; L15-S19 PolarHBondContact O-OG 3.24Å
16D65.7Low59.5Low79 Ų7983.2 Ų83.242%0.42242%0.416SS..Hα-helixtrans-61.9-46179.7-166.562000111.4Y12 I13 F18 S19 L20Y12-D16 WeakPolarHBondContact O-CB 3.26Å; Y12-D16 PolarHBondContact O-N 3.43Å; I13-D16 PolarHBondContact O-N 3.33Å; D16-F18 VanDerWaalsContact C-N 3.31Å; D16-F18 PolarHBondContact O-N 3.28Å; D16-S19 PolarHBondContact O-N 3.1Å; D16-L20 WeakPolarHBondContact O-CB 3.49Å; D16-L20 PolarHBondContact O-N 2.9Å
17L61.4Low58.9Low102 Ų10281.6 Ų81.653%0.53442%0.415SS..Hα-helixtrans-61.4-37.5174.6-74.7169.6000112.7I13 K21I13-L17 HydrophobicContact CG2-CD1 3.82Å; I13-L17 HydrophobicContact CG2-CG 4.34Å; I13-L17 WeakPolarHBondContact O-CB 3.12Å; I13-L17 VanDerWaalsContact O-CG 3.26Å; I13-L17 WeakPolarHBondContact O-CG 3.11Å; I13-L17 PolarHBondContact O-N 3.39Å; L17-K21 PolarHBondContact O-N 3.32Å
18F63.5Low58Low44 Ų4485.1 Ų85.119%0.19344%0.436CS..Hα-helixtrans-68.3-45.5176.6-174.3-96.3000111.4S14 L15 D16 L20 K21 L22 L118S14-F18 WeakPolarHBondContact O-CB 3.39Å; S14-F18 PolarHBondContact O-N 3.44Å; L15-F18 PolarHBondContact O-N 3.02Å; D16-F18 VanDerWaalsContact C-N 3.31Å; D16-F18 PolarHBondContact O-N 3.28Å; F18-L20 VanDerWaalsContact C-N 3.33Å; F18-L20 PolarHBondContact O-N 2.95Å; F18-K21 PolarHBondContact O-N 3.48Å; F18-L22 HydrophobicContact CE1-CD1 4.07Å; F18-L22 HydrophobicContact CZ-CD1 4.13Å; F18-L22 PolarHBondContact O-N 3.18Å; F18-L118 HydrophobicContact CE1-CD2 4.42Å
19S61.3Low57.4Low53 Ų5384.3 Ų84.337%0.37144%0.439SS..Hα-helixtrans-58.8-43.9174.5-70.20000111.7L15 D16 L22 V23L15-S19 PolarHBondContact O-N 3.48Å; L15-S19 PolarHBondContact O-OG 3.24Å; D16-S19 PolarHBondContact O-N 3.1Å; S19-L22 PolarHBondContact O-N 2.92Å; S19-V23 WeakPolarHBondContact O-CG2 3.44Å; S19-V23 PolarHBondContact O-N 3.41Å
20L58.4Low56.5Low95 Ų9585.3 Ų85.350%0.49745%0.449SS..Hα-helixtrans-64.2-43.6179-140.9106.2000112D16 F18 L22 V23 N24D16-L20 WeakPolarHBondContact O-CB 3.49Å; D16-L20 PolarHBondContact O-N 2.9Å; F18-L20 VanDerWaalsContact C-N 3.33Å; F18-L20 PolarHBondContact O-N 2.95Å; L20-L22 VanDerWaalsContact C-N 3.31Å; L20-L22 PolarHBondContact O-N 3.5Å; L20-V23 PolarHBondContact O-N 3.14Å; L20-N24 WeakPolarHBondContact O-CB 3.32Å; L20-N24 PolarHBondContact O-N 2.89Å
21K59.7Low55.3Low161 Ų16187.1 Ų87.170%0.747%0.466SS*.Hα-helixtrans-63.7-36.8175.5-82.5-171.2175.1-175.60112.4L17 F18 S25L17-K21 PolarHBondContact O-N 3.32Å; F18-K21 PolarHBondContact O-N 3.48Å; K21-S25 VanDerWaalsContact O-CB 3.28Å; K21-S25 WeakPolarHBondContact O-CB 3.35Å; K21-S25 PolarHBondContact O-N 2.94Å
22L56.8Low54.2Low53 Ų5392.2 Ų92.228%0.27749%0.492SS..Hα-helixtrans-66.7-44179.1-149.695.7000111.1F18 S19 L20 S25 E26 L118F18-L22 HydrophobicContact CE1-CD1 4.07Å; F18-L22 HydrophobicContact CZ-CD1 4.13Å; F18-L22 PolarHBondContact O-N 3.18Å; S19-L22 PolarHBondContact O-N 2.92Å; L20-L22 VanDerWaalsContact C-N 3.31Å; L20-L22 PolarHBondContact O-N 3.5Å; L22-S25 PolarHBondContact O-N 3.33Å; L22-E26 PolarHBondContact O-N 2.91Å; L22-L118 HydrophobicContact CD2-CD1 4.1Å
23V55.3Low53Low79 Ų7992.6 Ų92.648%0.47950%0.503SS..Hα-helixtrans-64.1-48.2177173.90000110.9S19 L20 S25 E26 E27S19-V23 WeakPolarHBondContact O-CG2 3.44Å; S19-V23 PolarHBondContact O-N 3.41Å; L20-V23 PolarHBondContact O-N 3.14Å; V23-S25 VanDerWaalsContact C-N 3.29Å; V23-S25 PolarHBondContact O-N 3.4Å; V23-E26 PolarHBondContact O-N 2.95Å; V23-E26 VanDerWaalsContact O-N 3.11Å; V23-E27 PolarHBondContact O-N 3.18Å; V23-E27 VanDerWaalsContact O-N 3.1Å
24N51.9Low51.6Low87 Ų8795.3 Ų95.347%0.46552%0.522SS..Hα-helixtrans-66.1-30.4179.5-71.6-3.1000112.8L20 E26 N28L20-N24 WeakPolarHBondContact O-CB 3.32Å; L20-N24 PolarHBondContact O-N 2.89Å; N24-E26 VanDerWaalsContact C-N 3.3Å; N24-N28 WeakPolarHBondContact O-CB 3.49Å; N24-N28 PolarHBondContact O-N 3.38Å; N24-N28 VanDerWaalsContact O-N 3.12Å
25S50Low50.6Low83 Ų8399.8 Ų99.858%0.5854%0.543SS*.Hα-helixtrans-68.6-30.1174.9-175.20000112.4K21 L22 V23 S29K21-S25 VanDerWaalsContact O-CB 3.28Å; K21-S25 WeakPolarHBondContact O-CB 3.35Å; K21-S25 PolarHBondContact O-N 2.94Å; L22-S25 PolarHBondContact O-N 3.33Å; V23-S25 VanDerWaalsContact C-N 3.29Å; V23-S25 PolarHBondContact O-N 3.4Å; S25-S29 PolarHBondContact O-OG 2.87Å
26E46.9Very low49.4Very low107 Ų107106.6 Ų106.650%0.557%0.573SS.*Hα-helixtrans-78.3-38.4177.8-166.2169.4-172.600110.9L22 V23 N24 S29L22-E26 PolarHBondContact O-N 2.91Å; V23-E26 PolarHBondContact O-N 2.95Å; V23-E26 VanDerWaalsContact O-N 3.11Å; N24-E26 VanDerWaalsContact C-N 3.3Å; E26-S29 PolarHBondContact O-N 3.4Å; E26-S29 PolarHBondContact O-OG 3.47Å
27E46.5Very low48Very low131 Ų131109.3 Ų109.361%0.61259%0.588SS**Hα-helixtrans-65.9-36.6175.1-74.7-174.6163.500113V23 S29 N30V23-E27 PolarHBondContact O-N 3.18Å; V23-E27 VanDerWaalsContact O-N 3.1Å; E27-S29 VanDerWaalsContact C-N 3.3Å; E27-S29 PolarHBondContact O-N 2.98Å; E27-N30 PolarHBondContact O-N 3.46Å
28N44Very low46.9Very low114 Ų114114 Ų11461%0.6160%0.6SS**THydrogen-bonded Turntrans-79.4-10.4-179.9-149.733.3000113.9N24N24-N28 WeakPolarHBondContact O-CB 3.49Å; N24-N28 PolarHBondContact O-N 3.38Å; N24-N28 VanDerWaalsContact O-N 3.12Å
29S45.9Very low45.6Very low82 Ų82118.9 Ų118.957%0.57363%0.628SS**THydrogen-bonded Turntrans-88.3-10.8174.349.30000114.3S25 E26 E27S25-S29 PolarHBondContact O-OG 2.87Å; E26-S29 PolarHBondContact O-N 3.4Å; E26-S29 PolarHBondContact O-OG 3.47Å; E27-S29 VanDerWaalsContact C-N 3.3Å; E27-S29 PolarHBondContact O-N 2.98Å
30N41.1Very low44.7Very low141 Ų141124.4 Ų124.475%0.75465%0.647SS**SBendtrans-109.85.5-176.8-77.3-14.3000114.4E27E27-N30 PolarHBondContact O-N 3.46Å
31S37.4Very low43.7Very low82 Ų82130 Ų13057%0.57366%0.664SS**  trans-119.59.2-173.159.30000115.6
32I39.7Very low42.5Very low136 Ų136130.1 Ų130.170%0.69767%0.672SS**  trans-100.1120.4177-50.8178000109.2
33I38.4Very low41.9Very low158 Ų158132.4 Ų132.481%0.8169%0.692SS**SBendtrans101.166.4169.9-43.4160.4000114.2
34T35.9Very low41.1Very low122 Ų122133.6 Ų133.675%0.74870%0.704SS**  trans-144.9142.5138.64.30000107.4
35D39.9Very low40.6Very low143 Ų143137.4 Ų137.477%0.76572%0.723SS**  trans75.196.8168.9-50.4-22.2000114.8
36E37.4Very low39.8Very low187 Ų187140.3 Ų140.387%0.87473%0.732SS**  43.4107.475.1-71.9-169.1170.300113.2
37D35.6Very low39.5Very low136 Ų136139.9 Ų139.973%0.72774%0.741SS**  trans87.6143.4141.3-138.63.3000118.5
38Y38.6Very low39.2Very low200 Ų200138.9 Ų138.978%0.78475%0.748SS**  trans88.579.8174.4-69.6-89.2000119.7
39D36.7Very low39Very low147 Ų147140 Ų14079%0.78676%0.755SS**  2.7146.7126.5-71.8-35.1000119.9
40H43.6Very low38.6Very low168 Ų168142.6 Ų142.678%0.77876%0.762SS**  trans84.798.3146.9-126.6-52.7000116.8
41Y37.1Very low38.6Very low214 Ų214142.7 Ų142.784%0.83977%0.767SS**  -168.799.2121.7-118.5-90.8000110.8S43Y41-S43 PolarHBondContact O-N 2.92Å
42N34.8Very low38.8Very low163 Ų163148 Ų14887%0.87278%0.78SS**  trans-65.4122.6156.4-93.5-20.7000108.7
43S42.2Very low38.7Very low100 Ų100148.4 Ų148.470%0.69978%0.779SS**  trans-158.9103.5157.2171.10000109.8Y41Y41-S43 PolarHBondContact O-N 2.92Å
44S40.3Very low38.7Very low104 Ų104146.3 Ų146.373%0.72778%0.778SS**  trans-16.1128157.656.50000116.4
45L39.6Very low39Very low167 Ų167149 Ų14987%0.87478%0.782SS**  trans-139.298.1137-151.881.5000109.6S47L45-S47 PolarHBondContact O-N 3.28Å
46D33.5Very low38.9Very low144 Ų144149.6 Ų149.677%0.7778%0.78SS**  trans-62.7106.5168.6-147.1-9.1000108.6
47S40.8Very low39.1Very low99 Ų99145 Ų14569%0.69278%0.775SS**  trans-150.548.7171.4-173.50000110.8L45L45-S47 PolarHBondContact O-N 3.28Å
48S41.1Very low39.3Very low109 Ų109147.8 Ų147.876%0.76278%0.781SS**  trans-108.621175.3-1720000113.1
49N38.7Very low39.4Very low139 Ų139146.8 Ų146.874%0.74378%0.783SS**SBendtrans-1209.3-174.6-80.1-16.9000116.2
50N38.1Very low39.4Very low135 Ų135150.6 Ų150.672%0.72279%0.786SS**  trans-110.48.9-174.1-113-3.3000117
51V40.6Very low39.1Very low143 Ų143149.7 Ų149.787%0.86779%0.787SS**SBendtrans-90.61.1178.1-175.80000112.6
52K42.1Very low39.5Very low194 Ų194144.4 Ų144.484%0.84378%0.782SS**SBendtrans-104.72.2-177-99.6-176.7175.2-176.50116.5
53H38.8Very low40Very low145 Ų145143.6 Ų143.667%0.67178%0.777SS**SBendtrans-109.63.6-172.1-109.3-51.5000117.1
54S37.6Very low40.3Very low114 Ų114144.6 Ų144.680%0.79778%0.781SS**SBendtrans-97.74.6-17866.70000115.5
55Q41.4Very low40.7Very low179 Ų179146.8 Ų146.884%0.83679%0.785SS**SBendtrans-108.3-7.5-175.9-156162.8100114.6
56E38.9Very low40.8Very low154 Ų154141.6 Ų141.672%0.7277%0.772SS**SBendtrans-101.5-0.1-177.6-70.7-178.2164.900114.5F58E56-F58 VanDerWaalsContact C-N 3.28Å; E56-F58 PolarHBondContact O-N 3.38Å
57A40.3Very low41.1Very low92 Ų92143.6 Ų143.676%0.7677%0.774SS**THydrogen-bonded Turntrans-83.25.8-179.300000114.8
58F41.3Very low41.3Very low194 Ų194144.2 Ų144.285%0.85178%0.776SS**THydrogen-bonded Turntrans-99.813.6-176.6-119.1-88000115.1E56E56-F58 VanDerWaalsContact C-N 3.28Å; E56-F58 PolarHBondContact O-N 3.38Å
59H40Very low41.6Very low178 Ų178146.3 Ų146.382%0.82477%0.773SS**SBendtrans-124.162.7178.4-79.6-83.6000112.1
60R36.1Very low41.8Very low227 Ų227148 Ų14886%0.85777%0.771SS**SBendtrans-164.4128.3159.8-140.6164.3163.2174.8-6.2110
61N38.3Very low42Very low149 Ų149149.2 Ų149.280%0.79777%0.772SS**  trans96.576.5175.8-43.1-21.8000114
62S44.3Very low42Very low104 Ų104149.7 Ų149.773%0.72776%0.763SS**  trans-150.1121.3150.3-66.60000108.4
63D45.4Very low42.2Very low146 Ų146145.6 Ų145.678%0.78175%0.749SS**  trans-49146.9-179.1-95.1-53.4000113.5D65D63-D65 PolarHBondContact O-N 3.4Å
64P49.2Very low42.5Very low121 Ų121143.5 Ų143.579%0.78674%0.743SS**THydrogen-bonded Turntrans-73.83.4178.330.2-32.9000115
65D48Very low42.8Very low149 Ų149144.8 Ų144.880%0.79774%0.736SS**THydrogen-bonded Turntrans-12217.7-172.3-78.6-32.8000115D63D63-D65 PolarHBondContact O-N 3.4Å
66G42.8Very low43Very low59 Ų59139 Ų13961%0.60871%0.713SS**  trans-105.599.4-176.200000115
67F39.3Very low43.3Very low186 Ų186134.9 Ų134.982%0.81670%0.702SS**  trans15.5145.2152.3-77.1-98.6000121.8E69F67-E69 VanDerWaalsContact C-N 3.28Å; F67-E69 PolarHBondContact O-N 2.91Å
68P44.3Very low43.7Very low111 Ų111134.5 Ų134.572%0.72169%0.686SS**SBendtrans-78.757.9-170.636.6-37.8000114
69E47.3Very low44.1Very low153 Ų153130.9 Ų130.972%0.71567%0.672SS**  trans-92-18.3175.2-117.7178.6178.300113.1F67F67-E69 VanDerWaalsContact C-N 3.28Å; F67-E69 PolarHBondContact O-N 2.91Å
70Y43.4Very low44.6Very low175 Ų175127.3 Ų127.369%0.68666%0.658SS**Hα-helixtrans-77.3-25.5-177.6-79.8-81.7000114.4N74Y70-N74 PolarHBondContact O-N 2.72Å
71E43.5Very low45.5Very low160 Ų160124.1 Ų124.175%0.74865%0.65SS**Hα-helixtrans-76.2-34.9-176.2-153.1163.9-156.500111.7N74 E75E71-N74 PolarHBondContact O-N 2.87Å; E71-E75 PolarHBondContact O-N 2.97Å
72F40.4Very low46.5Very low154 Ų154123 Ų12368%0.67564%0.64SS**Hα-helixtrans-74-36.6177.5-147.6-94.7000112.8N74 E75 T76F72-N74 VanDerWaalsContact C-N 3.28Å; F72-N74 PolarHBondContact O-N 2.77Å; F72-E75 PolarHBondContact O-N 3.35Å; F72-T76 PolarHBondContact O-N 3.05Å; F72-T76 PolarHBondContact O-OG1 3.42Å
73L44.7Very low47Very low108 Ų108123.3 Ų123.357%0.56563%0.63SS**Hα-helixtrans-66.6-30.3175.5-74.1171.9000112.4S77L73-S77 WeakPolarHBondContact O-CB 3.38Å; L73-S77 PolarHBondContact O-N 3.24Å
74N46.3Very low47.5Very low100 Ų100118.7 Ų118.754%0.53561%0.605SS.*Hα-helixtrans-70.4-40.7178.9-158.530.5000111Y70 E71 F72 S77 I78Y70-N74 PolarHBondContact O-N 2.72Å; E71-N74 PolarHBondContact O-N 2.87Å; F72-N74 VanDerWaalsContact C-N 3.28Å; F72-N74 PolarHBondContact O-N 2.77Å; N74-S77 PolarHBondContact O-N 3.12Å; N74-I78 WeakPolarHBondContact O-CB 3.3Å; N74-I78 WeakPolarHBondContact O-CD1 3.43Å; N74-I78 WeakPolarHBondContact O-CG1 3.4Å; N74-I78 PolarHBondContact O-N 2.98Å
75E44.6Very low48Very low141 Ų141114.8 Ų114.866%0.65959%0.587SS**Hα-helixtrans-68.5-46.3179.8-145.6168.9-159.300111.7E71 F72 S77 I78 E79E71-E75 PolarHBondContact O-N 2.97Å; F72-E75 PolarHBondContact O-N 3.35Å; E75-S77 VanDerWaalsContact C-N 3.35Å; E75-S77 PolarHBondContact O-N 3.45Å; E75-I78 PolarHBondContact O-N 3.47Å; E75-E79 PolarHBondContact O-N 3.28Å; E75-E79 VanDerWaalsContact O-N 3.12Å
76T45.4Very low48.8Very low57 Ų57113.7 Ų113.735%0.3558%0.577SS.*Hα-helixtrans-65.9-36.6173.515.60000112.1F72 I78 I80F72-T76 PolarHBondContact O-N 3.05Å; F72-T76 PolarHBondContact O-OG1 3.42Å; T76-I78 VanDerWaalsContact C-N 3.32Å; T76-I78 PolarHBondContact O-N 3.48Å; T76-I80 WeakPolarHBondContact O-CB 3.36Å; T76-I80 VanDerWaalsContact O-CD1 3.29Å; T76-I80 WeakPolarHBondContact O-CD1 3.46Å; T76-I80 WeakPolarHBondContact O-CG1 3.34Å; T76-I80 PolarHBondContact O-N 3.05Å
77S43.7Very low49.5Very low69 Ų69113.5 Ų113.548%0.48356%0.56SS.*Hα-helixtrans-67.6-31.5176.7-178.50000112.7L73 N74 E75 K81L73-S77 WeakPolarHBondContact O-CB 3.38Å; L73-S77 PolarHBondContact O-N 3.24Å; N74-S77 PolarHBondContact O-N 3.12Å; E75-S77 VanDerWaalsContact C-N 3.35Å; E75-S77 PolarHBondContact O-N 3.45Å; S77-K81 WeakPolarHBondContact O-CB 3.46Å; S77-K81 PolarHBondContact O-N 2.91Å; S77-K81 VanDerWaalsContact O-N 3.13Å
78I49.3Very low50.5Low84 Ų84108.5 Ų108.543%0.43154%0.541SS..Hα-helixtrans-71.9-46.9177.1-71162.4000109.5N74 E75 T76 I80 K81 E82N74-I78 WeakPolarHBondContact O-CB 3.3Å; N74-I78 WeakPolarHBondContact O-CD1 3.43Å; N74-I78 WeakPolarHBondContact O-CG1 3.4Å; N74-I78 PolarHBondContact O-N 2.98Å; E75-I78 PolarHBondContact O-N 3.47Å; T76-I78 VanDerWaalsContact C-N 3.32Å; T76-I78 PolarHBondContact O-N 3.48Å; I78-I80 PolarHBondContact O-N 3.36Å; I78-K81 PolarHBondContact O-N 2.91Å; I78-K81 VanDerWaalsContact O-N 3.14Å; I78-E82 PolarHBondContact O-N 2.94Å
79E49.8Very low51.4Low118 Ų118108.5 Ų108.555%0.55153%0.531SS*.Hα-helixtrans-61.4-45.8178.7-168.3171.9-156.400111.6E75 K81 E82 E83E75-E79 PolarHBondContact O-N 3.28Å; E75-E79 VanDerWaalsContact O-N 3.12Å; E79-K81 VanDerWaalsContact C-N 3.28Å; E79-K81 PolarHBondContact O-N 2.91Å; E79-E82 PolarHBondContact O-N 2.86Å; E79-E83 PolarHBondContact O-N 3.39Å
80I50.7Low52.2Low102 Ų102107.1 Ų107.152%0.52353%0.525SS..Hα-helixtrans-62.6-35.6176.1-66.7164.8000111.5T76 I78 L84T76-I80 WeakPolarHBondContact O-CB 3.36Å; T76-I80 VanDerWaalsContact O-CD1 3.29Å; T76-I80 WeakPolarHBondContact O-CD1 3.46Å; T76-I80 WeakPolarHBondContact O-CG1 3.34Å; T76-I80 PolarHBondContact O-N 3.05Å; I78-I80 PolarHBondContact O-N 3.36Å; I80-L84 WeakPolarHBondContact O-CB 3.28Å; I80-L84 PolarHBondContact O-N 2.93Å
81K53.9Low53.1Low161 Ų161100.6 Ų100.670%0.750%0.502SS*.Hα-helixtrans-72.3-34.2178.6-173.2-180178.2-173.50111.7S77 I78 E79 G85S77-K81 WeakPolarHBondContact O-CB 3.46Å; S77-K81 PolarHBondContact O-N 2.91Å; S77-K81 VanDerWaalsContact O-N 3.13Å; I78-K81 PolarHBondContact O-N 2.91Å; I78-K81 VanDerWaalsContact O-N 3.14Å; E79-K81 VanDerWaalsContact C-N 3.28Å; E79-K81 PolarHBondContact O-N 2.91Å; K81-G85 WeakPolarHBondContact O-CA 3.21Å; K81-G85 PolarHBondContact O-N 3.39Å
82E59.2Low53.8Low124 Ų12497.9 Ų97.958%0.57949%0.489SS*.Hα-helixtrans-70-48.2174.5-74.3-173.1179.100111.5I78 E79 L84 G85 Q86I78-E82 PolarHBondContact O-N 2.94Å; E79-E82 PolarHBondContact O-N 2.86Å; E82-L84 PolarHBondContact O-N 3.41Å; E82-G85 PolarHBondContact O-N 3.23Å; E82-Q86 WeakPolarHBondContact O-CG 3.44Å; E82-Q86 PolarHBondContact O-N 3.24Å
83E56.4Low55.1Low111 Ų11195.1 Ų95.152%0.51948%0.481SS..Hα-helixtrans-60.6-47.4176.3-72.1-171.3162.900111.5E79 G85 Q86 E87E79-E83 PolarHBondContact O-N 3.39Å; E83-G85 VanDerWaalsContact C-N 3.3Å; E83-G85 PolarHBondContact O-N 3.22Å; E83-Q86 PolarHBondContact O-N 3.03Å; E83-E87 WeakPolarHBondContact O-CG 3.29Å; E83-E87 PolarHBondContact O-N 3.35Å
84L55Low56.1Low49 Ų4994.5 Ų94.526%0.25748%0.477SS..Hα-helixtrans-65.2-36.1177.5-17159.1000111.9K7 I80 E82 L88K7-L84 HydrophobicContact CD-CD1 4.5Å; I80-L84 WeakPolarHBondContact O-CB 3.28Å; I80-L84 PolarHBondContact O-N 2.93Å; E82-L84 PolarHBondContact O-N 3.41Å; L84-L88 WeakPolarHBondContact O-CB 3.28Å; L84-L88 PolarHBondContact O-N 2.88Å
85G59.4Low56.8Low39 Ų3991.2 Ų91.240%0.40246%0.46SS..Hα-helixtrans-64.6-42.1175.500000112.2K81 E82 E83 L88 H89K81-G85 WeakPolarHBondContact O-CA 3.21Å; K81-G85 PolarHBondContact O-N 3.39Å; E82-G85 PolarHBondContact O-N 3.23Å; E83-G85 VanDerWaalsContact C-N 3.3Å; E83-G85 PolarHBondContact O-N 3.22Å; G85-L88 PolarHBondContact O-N 3.2Å; G85-H89 VanDerWaalsContact O-CB 3.28Å; G85-H89 WeakPolarHBondContact O-CB 3.42Å; G85-H89 PolarHBondContact O-N 2.84Å
86Q64.7Low57.8Low126 Ų12689.1 Ų89.159%0.58945%0.453SS*.Hα-helixtrans-65.8-45.4175.4-71.5-179.812.900111.7E82 E83 L88 H89 Q90E82-Q86 WeakPolarHBondContact O-CG 3.44Å; E82-Q86 PolarHBondContact O-N 3.24Å; E83-Q86 PolarHBondContact O-N 3.03Å; Q86-L88 VanDerWaalsContact C-N 3.34Å; Q86-L88 PolarHBondContact O-N 3.47Å; Q86-H89 PolarHBondContact O-N 3.37Å; Q86-Q90 WeakPolarHBondContact O-CG 3.45Å; Q86-Q90 PolarHBondContact O-N 3.05Å
87E57.9Low58.9Low56 Ų5689 Ų8926%0.26245%0.449SS..Hα-helixtrans-58.8-45.3175.1-76.1-179.8-169.600111.5K7 E83 Q90 L91 F132K7-E87 IonicContact NZ-OE1 3.52Å; K7-E87 IonicContact NZ-OE2 2.77Å; K7-E87 PolarHBondContact NZ-OE2 3.49Å; E83-E87 WeakPolarHBondContact O-CG 3.29Å; E83-E87 PolarHBondContact O-N 3.35Å; E87-Q90 PolarHBondContact O-N 3.26Å; E87-L91 WeakPolarHBondContact O-CB 3.37Å; E87-L91 PolarHBondContact O-N 3.27Å; E87-F132 VanDerWaalsContact OE1-CE1 3.28Å; E87-F132 WeakPolarHBondContact OE1-CE1 3.44Å; E87-F132 WeakPolarHBondContact OE1-CZ 3.41Å
88L59.6Low59.8Low80 Ų8086.9 Ų86.942%0.41943%0.431SS..Hα-helixtrans-69.4-36.5-178.6-158.9140.4000111.5I10 L84 G85 Q86 L91 Q92I10-L88 HydrophobicContact CG2-CD1 4.39Å; L84-L88 WeakPolarHBondContact O-CB 3.28Å; L84-L88 PolarHBondContact O-N 2.88Å; G85-L88 PolarHBondContact O-N 3.2Å; Q86-L88 VanDerWaalsContact C-N 3.34Å; Q86-L88 PolarHBondContact O-N 3.47Å; L88-L91 PolarHBondContact O-N 3.41Å; L88-Q92 VanDerWaalsContact O-CB 3.29Å; L88-Q92 WeakPolarHBondContact O-CB 3.45Å; L88-Q92 PolarHBondContact O-N 3.1Å
89H65.1Low60.3Low111 Ų11183.4 Ų83.451%0.51442%0.415SS..Hα-helixtrans-65.1-41.8172.4-174.5-95.7000111.9G85 Q86 Q92 L93G85-H89 VanDerWaalsContact O-CB 3.28Å; G85-H89 WeakPolarHBondContact O-CB 3.42Å; G85-H89 PolarHBondContact O-N 2.84Å; Q86-H89 PolarHBondContact O-N 3.37Å; H89-Q92 PolarHBondContact O-N 3.34Å; H89-L93 WeakPolarHBondContact O-CG 3.21Å; H89-L93 PolarHBondContact O-N 2.99Å
90Q64.2Low61.2Low125 Ų12585.4 Ų85.458%0.58442%0.417SS*.Hα-helixtrans-62.9-44173.5-74.8-174.9-0.700111.8Q86 E87 Q92 L93 I94Q86-Q90 WeakPolarHBondContact O-CG 3.45Å; Q86-Q90 PolarHBondContact O-N 3.05Å; E87-Q90 PolarHBondContact O-N 3.26Å; Q90-Q92 VanDerWaalsContact C-N 3.28Å; Q90-Q92 PolarHBondContact O-N 3.42Å; Q90-L93 PolarHBondContact O-N 3.26Å; Q90-I94 VanDerWaalsContact O-CG1 3.29Å; Q90-I94 WeakPolarHBondContact O-CG1 3.32Å; Q90-I94 PolarHBondContact O-N 2.86Å
91L60.3Low61.8Low37 Ų3787.6 Ų87.619%0.19442%0.419CS..Hα-helixtrans-60.4-41.7175.7-174.766.6000111.1I11 E87 L88 I94 L95 I125I11-L91 HydrophobicContact CG1-CD2 4.31Å; E87-L91 WeakPolarHBondContact O-CB 3.37Å; E87-L91 PolarHBondContact O-N 3.27Å; L88-L91 PolarHBondContact O-N 3.41Å; L91-I94 PolarHBondContact O-N 3.11Å; L91-L95 HydrophobicContact CG-CD1 3.98Å; L91-L95 WeakPolarHBondContact O-CB 3.27Å; L91-L95 WeakPolarHBondContact O-CG 3.16Å; L91-L95 PolarHBondContact O-N 3.29Å; L91-I125 HydrophobicContact CD1-CG2 4.17Å
92Q58.3Low62.1Low103 Ų10380.8 Ų80.848%0.48139%0.39SS..Hα-helixtrans-64.1-42.3177.5-165.7172-1.800111.8L88 H89 Q90 I94 L95 D96L88-Q92 VanDerWaalsContact O-CB 3.29Å; L88-Q92 WeakPolarHBondContact O-CB 3.45Å; L88-Q92 PolarHBondContact O-N 3.1Å; H89-Q92 PolarHBondContact O-N 3.34Å; Q90-Q92 VanDerWaalsContact C-N 3.28Å; Q90-Q92 PolarHBondContact O-N 3.42Å; Q92-I94 VanDerWaalsContact C-N 3.34Å; Q92-I94 PolarHBondContact O-N 2.87Å; Q92-L95 PolarHBondContact O-N 3.3Å; Q92-D96 WeakPolarHBondContact O-CB 3.28Å; Q92-D96 PolarHBondContact O-N 3.23Å
93L69.3Low62.2Low96 Ų9684.6 Ų84.650%0.50340%0.399SS..Hα-helixtrans-61.6-41.1173.2-72172.9000112.2H89 Q90 D96 E97H89-L93 WeakPolarHBondContact O-CG 3.21Å; H89-L93 PolarHBondContact O-N 2.99Å; Q90-L93 PolarHBondContact O-N 3.26Å; L93-D96 PolarHBondContact O-N 3.45Å; L93-E97 WeakPolarHBondContact O-CB 3.41Å; L93-E97 PolarHBondContact O-N 2.85Å
94I65.8Low62.7Low96 Ų9683.1 Ų83.149%0.49241%0.406SS..Hα-helixtrans-65.1-42.3176.6-67.7165.2000110.4Q90 L91 Q92 E97 L98Q90-I94 VanDerWaalsContact O-CG1 3.29Å; Q90-I94 WeakPolarHBondContact O-CG1 3.32Å; Q90-I94 PolarHBondContact O-N 2.86Å; L91-I94 PolarHBondContact O-N 3.11Å; Q92-I94 VanDerWaalsContact C-N 3.34Å; Q92-I94 PolarHBondContact O-N 2.87Å; I94-E97 PolarHBondContact O-N 3.27Å; I94-L98 VanDerWaalsContact O-CB 3.29Å; I94-L98 WeakPolarHBondContact O-CB 3.46Å; I94-L98 PolarHBondContact O-N 2.94Å
95L60.8Low62.8Low31 Ų3183.4 Ų83.416%0.16241%0.409CS..Hα-helixtrans-64.5-41.8176.5-81.7158.6000111.9L91 Q92 L98 S99L91-L95 HydrophobicContact CG-CD1 3.98Å; L91-L95 WeakPolarHBondContact O-CB 3.27Å; L91-L95 WeakPolarHBondContact O-CG 3.16Å; L91-L95 PolarHBondContact O-N 3.29Å; Q92-L95 PolarHBondContact O-N 3.3Å; L95-L98 PolarHBondContact O-N 3.42Å; L95-S99 VanDerWaalsContact O-CB 3.25Å; L95-S99 WeakPolarHBondContact O-CB 3.29Å; L95-S99 PolarHBondContact O-N 3.27Å
96D64.2Low62.6Low96 Ų9685.6 Ų85.651%0.51342%0.417SS..Hα-helixtrans-65.1-41.2176-79.5-19.2000111.3Q92 L93 S99 R100Q92-D96 WeakPolarHBondContact O-CB 3.28Å; Q92-D96 PolarHBondContact O-N 3.23Å; L93-D96 PolarHBondContact O-N 3.45Å; D96-S99 PolarHBondContact O-N 2.73Å; D96-R100 WeakPolarHBondContact O-CB 3.42Å; D96-R100 PolarHBondContact O-N 3.44Å
97E69.8Low62.1Low56 Ų5686.6 Ų86.626%0.26243%0.426SS..Hα-helixtrans-64.3-42.8174.3-179.858.8-161.700111.7L93 I94 R100 R101L93-E97 WeakPolarHBondContact O-CB 3.41Å; L93-E97 PolarHBondContact O-N 2.85Å; I94-E97 PolarHBondContact O-N 3.27Å; E97-R100 WeakPolarHBondContact O-CB 3.42Å; E97-R100 PolarHBondContact O-N 2.86Å; E97-R100 IonicContact OE1-CZ 3.95Å; E97-R100 IonicContact OE1-NE 2.93Å; E97-R100 IonicContact OE1-NH2 3.63Å; E97-R100 PolarHBondContact OE1-NH2 3.22Å; E97-R100 IonicContact OE2-CZ 3.41Å; E97-R100 IonicContact OE2-NE 2.9Å; E97-R100 PolarHBondContact OE2-NE 2.97Å; E97-R100 IonicContact OE2-NH1 3.78Å; E97-R100 IonicContact OE2-NH2 3.74Å; E97-R100 PolarHBondContact OE2-NH2 3.28Å; E97-R101 VanDerWaalsContact O-CG 3.31Å; E97-R101 WeakPolarHBondContact O-CG 3.44Å; E97-R101 PolarHBondContact O-N 3.46Å; E97-R101 IonicContact OE1-CZ 2.98Å; E97-R101 IonicContact OE1-NE 2.68Å; E97-R101 PolarHBondContact OE1-NE 2.95Å; E97-R101 IonicContact OE1-NH2 2.99Å; E97-R101 PolarHBondContact OE1-NH2 3.46Å
98L61.9Low61.7Low23 Ų2389.1 Ų89.112%0.1245%0.45CS..Hα-helixtrans-62.6-46.4176.1-170.777000110.8I94 L95 R100 R101 I102 F117 S121I94-L98 VanDerWaalsContact O-CB 3.29Å; I94-L98 WeakPolarHBondContact O-CB 3.46Å; I94-L98 PolarHBondContact O-N 2.94Å; L95-L98 PolarHBondContact O-N 3.42Å; L98-R100 VanDerWaalsContact C-N 3.34Å; L98-R100 PolarHBondContact O-N 3.47Å; L98-R101 PolarHBondContact O-N 3.31Å; L98-I102 HydrophobicContact CD2-CD1 4.45Å; L98-I102 HydrophobicContact CG-CD1 4.07Å; L98-I102 VanDerWaalsContact O-CG1 3.28Å; L98-I102 WeakPolarHBondContact O-CG1 3.37Å; L98-I102 PolarHBondContact O-N 2.94Å; L98-F117 HydrophobicContact CD1-CD1 4.26Å; L98-F117 HydrophobicContact CD1-CE1 3.28Å; L98-F117 HydrophobicContact CD1-CZ 3.63Å; L98-F117 HydrophobicContact CG-CE1 4Å; L98-S121 WeakPolarHBondContact CD2-OG 3.31Å
99S60.1Low61.3Low12 Ų1286 Ų868%0.08444%0.436CS..Hα-helixtrans-58.3-45175.1-178.30000111.3L95 D96 R101 I102 R103L95-S99 VanDerWaalsContact O-CB 3.25Å; L95-S99 WeakPolarHBondContact O-CB 3.29Å; L95-S99 PolarHBondContact O-N 3.27Å; D96-S99 PolarHBondContact O-N 2.73Å; S99-R101 PolarHBondContact O-N 3.29Å; S99-I102 PolarHBondContact O-N 2.92Å; S99-R103 WeakPolarHBondContact O-CG 3.3Å; S99-R103 PolarHBondContact O-N 2.93Å
100R68.1Low60.8Low160 Ų16085.3 Ų85.360%0.60444%0.436SS*.Hα-helixtrans-59.9-44.5175-172.5178.372.8159.26.4111.5D96 E97 L98 R103 A104D96-R100 WeakPolarHBondContact O-CB 3.42Å; D96-R100 PolarHBondContact O-N 3.44Å; E97-R100 WeakPolarHBondContact O-CB 3.42Å; E97-R100 PolarHBondContact O-N 2.86Å; E97-R100 IonicContact OE1-CZ 3.95Å; E97-R100 IonicContact OE1-NE 2.93Å; E97-R100 IonicContact OE1-NH2 3.63Å; E97-R100 PolarHBondContact OE1-NH2 3.22Å; E97-R100 IonicContact OE2-CZ 3.41Å; E97-R100 IonicContact OE2-NE 2.9Å; E97-R100 PolarHBondContact OE2-NE 2.97Å; E97-R100 IonicContact OE2-NH1 3.78Å; E97-R100 IonicContact OE2-NH2 3.74Å; E97-R100 PolarHBondContact OE2-NH2 3.28Å; L98-R100 VanDerWaalsContact C-N 3.34Å; L98-R100 PolarHBondContact O-N 3.47Å; R100-R103 PolarHBondContact O-N 3.42Å; R100-A104 VanDerWaalsContact O-CB 3.3Å; R100-A104 WeakPolarHBondContact O-CB 3.48Å; R100-A104 PolarHBondContact O-N 3.49Å
101R64.7Low60.4Low148 Ų14887.4 Ų87.456%0.55844%0.443SS*.Hα-helixtrans-66-39.5177.2-72.5176.3-175.8-148.92.8112.5E97 L98 S99 A104 T105E97-R101 VanDerWaalsContact O-CG 3.31Å; E97-R101 WeakPolarHBondContact O-CG 3.44Å; E97-R101 PolarHBondContact O-N 3.46Å; E97-R101 IonicContact OE1-CZ 2.98Å; E97-R101 IonicContact OE1-NE 2.68Å; E97-R101 PolarHBondContact OE1-NE 2.95Å; E97-R101 IonicContact OE1-NH2 2.99Å; E97-R101 PolarHBondContact OE1-NH2 3.46Å; L98-R101 PolarHBondContact O-N 3.31Å; S99-R101 PolarHBondContact O-N 3.29Å; R101-A104 PolarHBondContact O-N 3.45Å; R101-T105 PolarHBondContact O-N 3.24Å; R101-T105 PolarHBondContact O-OG1 3.43Å
102I60.1Low60.1Low18 Ų1893.7 Ų93.79%0.09247%0.465CS..Hα-helixtrans-63.8-45.3175.2-68.9167.4000110L98 S99 A104 T105 F117 L118L98-I102 HydrophobicContact CD2-CD1 4.45Å; L98-I102 HydrophobicContact CG-CD1 4.07Å; L98-I102 VanDerWaalsContact O-CG1 3.28Å; L98-I102 WeakPolarHBondContact O-CG1 3.37Å; L98-I102 PolarHBondContact O-N 2.94Å; S99-I102 PolarHBondContact O-N 2.92Å; I102-A104 VanDerWaalsContact C-N 3.33Å; I102-A104 PolarHBondContact O-N 2.93Å; I102-T105 VanDerWaalsContact O-CB 3.26Å; I102-T105 WeakPolarHBondContact O-CB 3.37Å; I102-T105 PolarHBondContact O-N 3.37Å; I102-T105 VanDerWaalsContact O-N 3.13Å; I102-F117 HydrophobicContact CD1-CD1 3.96Å; I102-F117 HydrophobicContact CD1-CE1 4.07Å; I102-F117 HydrophobicContact CG1-CD1 3.59Å; I102-F117 HydrophobicContact CG1-CE1 3.57Å; I102-L118 HydrophobicContact CD1-CD2 3.82Å; I102-L118 HydrophobicContact CD1-CG 4.41Å
103R61.4Low60.1Low204 Ų20494.5 Ų94.577%0.7747%0.471SS*.Hα-helixtrans-66.6-33.2177.1-70.4-179.3-164.9-172.72.8113.2S99 R100 T105S99-R103 WeakPolarHBondContact O-CG 3.3Å; S99-R103 PolarHBondContact O-N 2.93Å; R100-R103 PolarHBondContact O-N 3.42Å; R103-T105 PolarHBondContact O-N 3.35Å
104A66.8Low59.4Low80 Ų8092.5 Ų92.566%0.66146%0.458SS*.Hα-helixtrans-75.2-14.1174.600000112.9R100 R101 I102 P106R100-A104 VanDerWaalsContact O-CB 3.3Å; R100-A104 WeakPolarHBondContact O-CB 3.48Å; R100-A104 PolarHBondContact O-N 3.49Å; R101-A104 PolarHBondContact O-N 3.45Å; I102-A104 VanDerWaalsContact C-N 3.33Å; I102-A104 PolarHBondContact O-N 2.93Å; A104-P106 WeakPolarHBondContact O-CD 3.33Å
105T56.1Low59Low54 Ų5492.5 Ų92.533%0.33146%0.459SS..SBendtrans-71.2121.4175-57.40000108.3R101 I102 R103 N107 A109R101-T105 PolarHBondContact O-N 3.24Å; R101-T105 PolarHBondContact O-OG1 3.43Å; I102-T105 VanDerWaalsContact O-CB 3.26Å; I102-T105 WeakPolarHBondContact O-CB 3.37Å; I102-T105 PolarHBondContact O-N 3.37Å; I102-T105 VanDerWaalsContact O-N 3.13Å; R103-T105 PolarHBondContact O-N 3.35Å; T105-N107 PolarHBondContact O-N 2.89Å; T105-A109 HydrophobicContact CG2-CB 3.74Å
106P55.6Low58.8Low86 Ų8697.5 Ų97.556%0.55848%0.481SS*.  trans-58.2141.6-177.821.4-31.1000110.9A104 S108 A109A104-P106 WeakPolarHBondContact O-CD 3.33Å; P106-S108 PolarHBondContact O-N 2.72Å; P106-A109 PolarHBondContact O-N 3.28Å
107N53.4Low58.7Low147 Ų14796.7 Ų96.779%0.78647%0.474SS*.THydrogen-bonded Turntrans-59.7-1.1179.2-88.8-15.4000114.6T105 A109 K114T105-N107 PolarHBondContact O-N 2.89Å; N107-A109 VanDerWaalsContact C-N 3.25Å; N107-K114 PolarHBondContact OD1-NZ 3.34Å
108S49.4Very low58.3Low108 Ų10896 Ų9676%0.75547%0.471SS*.THydrogen-bonded Turntrans-74.6-11.1167.857.80000113.7P106 N110P106-S108 PolarHBondContact O-N 2.72Å; S108-N110 PolarHBondContact O-N 3.35Å
109A51.9Low58.3Low15 Ų15100.3 Ų100.312%0.12449%0.492CS..SBendtrans-70.7110.9171.500000110T105 P106 N107 M113T105-A109 HydrophobicContact CG2-CB 3.74Å; P106-A109 PolarHBondContact O-N 3.28Å; N107-A109 VanDerWaalsContact C-N 3.25Å; A109-M113 HydrophobicContact CB-CB 4.27Å; A109-M113 HydrophobicContact CB-SD 4.39Å
110N55.4Low58.3Low97 Ų97102.7 Ų102.752%0.51951%0.509SS..  trans-48.8143.3176-170-2.9000110.3S108 Y112 M113 K114S108-N110 PolarHBondContact O-N 3.35Å; N110-Y112 CarbonylContact O-C 3.55Å; N110-Y112 PolarHBondContact O-N 3.29Å; N110-Y112 WeakPolarHBondContact OD1-CD2 3.37Å; N110-M113 PolarHBondContact O-N 2.96Å; N110-K114 PolarHBondContact O-N 3.3Å
111K55Low58Low168 Ų16895.7 Ų95.773%0.7348%0.484SS*.Hα-helixtrans-44-34.1179.7-173.9175-178.1173.40112.8K114 N115K111-K114 PolarHBondContact O-N 3.39Å; K111-N115 WeakPolarHBondContact O-CB 3.49Å; K111-N115 PolarHBondContact O-N 2.84Å
112Y54.5Low57.9Low169 Ų16990.4 Ų90.466%0.66347%0.47SS*.Hα-helixtrans-60.5-43.7173.6-66.5-83.4000114.4N110 N115 E116N110-Y112 CarbonylContact O-C 3.55Å; N110-Y112 PolarHBondContact O-N 3.29Å; N110-Y112 WeakPolarHBondContact OD1-CD2 3.37Å; Y112-N115 PolarHBondContact O-N 3.31Å; Y112-E116 WeakPolarHBondContact O-CB 3.31Å; Y112-E116 WeakPolarHBondContact O-CG 3.49Å; Y112-E116 PolarHBondContact O-N 2.83Å
113M57Low58Low121 Ų12194.2 Ų94.260%0.59649%0.489SS*.Hα-helixtrans-67.4-37.9178.4-70-176.891.800112.1A109 N110 N115 E116 F117A109-M113 HydrophobicContact CB-CB 4.27Å; A109-M113 HydrophobicContact CB-SD 4.39Å; N110-M113 PolarHBondContact O-N 2.96Å; M113-N115 VanDerWaalsContact C-N 3.34Å; M113-E116 PolarHBondContact O-N 3Å; M113-F117 WeakPolarHBondContact O-CB 3.41Å; M113-F117 PolarHBondContact O-N 2.99Å
114K56Low58Low54 Ų5488.2 Ų88.224%0.23548%0.475CS..Hα-helixtrans-64.9-41.7174.6-67.2-174-176.1179.50110.7N107 N110 K111 F117 L118N107-K114 PolarHBondContact OD1-NZ 3.34Å; N110-K114 PolarHBondContact O-N 3.3Å; K111-K114 PolarHBondContact O-N 3.39Å; K114-F117 PolarHBondContact O-N 2.9Å; K114-L118 WeakPolarHBondContact O-CG 3.44Å; K114-L118 PolarHBondContact O-N 3.45Å
115N56.5Low57.7Low95 Ų9585.6 Ų85.651%0.50845%0.45SS..Hα-helixtrans-66.7-42.5176.6-166.841000112.4K111 Y112 M113 F117 L118 M119K111-N115 WeakPolarHBondContact O-CB 3.49Å; K111-N115 PolarHBondContact O-N 2.84Å; Y112-N115 PolarHBondContact O-N 3.31Å; M113-N115 VanDerWaalsContact C-N 3.34Å; N115-F117 VanDerWaalsContact C-N 3.34Å; N115-F117 PolarHBondContact O-N 3.46Å; N115-L118 PolarHBondContact O-N 3.41Å; N115-M119 WeakPolarHBondContact O-CB 3.22Å; N115-M119 VanDerWaalsContact O-CG 3.3Å; N115-M119 WeakPolarHBondContact O-CG 3.47Å; N115-M119 PolarHBondContact O-N 2.8Å
116E57.7Low57.9Low137 Ų13786.7 Ų86.764%0.6446%0.456SS*.Hα-helixtrans-62.3-41.5174.7-78.5-175.9-179.500111.6Y112 M113 M119 S120Y112-E116 WeakPolarHBondContact O-CB 3.31Å; Y112-E116 WeakPolarHBondContact O-CG 3.49Å; Y112-E116 PolarHBondContact O-N 2.83Å; M113-E116 PolarHBondContact O-N 3Å; E116-M119 PolarHBondContact O-N 3.34Å; E116-S120 VanDerWaalsContact O-CB 3.31Å; E116-S120 WeakPolarHBondContact O-CB 3.4Å; E116-S120 PolarHBondContact O-N 2.91Å
117F61Low58.2Low79 Ų7987.1 Ų87.135%0.34645%0.454SS..Hα-helixtrans-63.9-41.7176.7-170.9-99.3000112L98 I102 M113 K114 N115 S120 S121L98-F117 HydrophobicContact CD1-CD1 4.26Å; L98-F117 HydrophobicContact CD1-CE1 3.28Å; L98-F117 HydrophobicContact CD1-CZ 3.63Å; L98-F117 HydrophobicContact CG-CE1 4Å; I102-F117 HydrophobicContact CD1-CD1 3.96Å; I102-F117 HydrophobicContact CD1-CE1 4.07Å; I102-F117 HydrophobicContact CG1-CD1 3.59Å; I102-F117 HydrophobicContact CG1-CE1 3.57Å; M113-F117 WeakPolarHBondContact O-CB 3.41Å; M113-F117 PolarHBondContact O-N 2.99Å; K114-F117 PolarHBondContact O-N 2.9Å; N115-F117 VanDerWaalsContact C-N 3.34Å; N115-F117 PolarHBondContact O-N 3.46Å; F117-S120 PolarHBondContact O-N 3.4Å; F117-S121 WeakPolarHBondContact O-CB 3.28Å; F117-S121 PolarHBondContact O-N 2.84Å; F117-S121 PolarHBondContact O-OG 3.48Å
118L61.7Low58.3Low40 Ų4084.8 Ų84.821%0.20944%0.441CS..Hα-helixtrans-62.7-47.8173.6-76.5168.8000111.6F18 L22 I102 K114 N115 S120 S121 C122F18-L118 HydrophobicContact CE1-CD2 4.42Å; L22-L118 HydrophobicContact CD2-CD1 4.1Å; I102-L118 HydrophobicContact CD1-CD2 3.82Å; I102-L118 HydrophobicContact CD1-CG 4.41Å; K114-L118 WeakPolarHBondContact O-CG 3.44Å; K114-L118 PolarHBondContact O-N 3.45Å; N115-L118 PolarHBondContact O-N 3.41Å; L118-S120 PolarHBondContact O-N 2.94Å; L118-S121 WeakPolarHBondContact CA-OG 3.46Å; L118-S121 PolarHBondContact O-N 3.18Å; L118-S121 PolarHBondContact O-OG 2.86Å; L118-C122 WeakPolarHBondContact O-CB 3.49Å; L118-C122 PolarHBondContact O-N 3.46Å
119M61.7Low58.6Low115 Ų11582 Ų8257%0.56742%0.417SS*.Hα-helixtrans-62.4-42.4177.5-70.7-66-82.200111.8N115 E116 C122 I123N115-M119 WeakPolarHBondContact O-CB 3.22Å; N115-M119 VanDerWaalsContact O-CG 3.3Å; N115-M119 WeakPolarHBondContact O-CG 3.47Å; N115-M119 PolarHBondContact O-N 2.8Å; E116-M119 PolarHBondContact O-N 3.34Å; M119-C122 WeakPolarHBondContact O-CB 3.37Å; M119-C122 PolarHBondContact O-N 2.85Å; M119-I123 VanDerWaalsContact O-CG1 3.26Å; M119-I123 WeakPolarHBondContact O-CG1 3.45Å; M119-I123 PolarHBondContact O-N 3.29Å
120S59.8Low58.9Low61 Ų6187.8 Ų87.843%0.42744%0.44SS..Hα-helixtrans-62.5-44.5176.1118.50000111.2E116 F117 L118 C122 I123 V124E116-S120 VanDerWaalsContact O-CB 3.31Å; E116-S120 WeakPolarHBondContact O-CB 3.4Å; E116-S120 PolarHBondContact O-N 2.91Å; F117-S120 PolarHBondContact O-N 3.4Å; L118-S120 PolarHBondContact O-N 2.94Å; S120-C122 VanDerWaalsContact C-N 3.32Å; S120-C122 PolarHBondContact O-N 3.47Å; S120-I123 PolarHBondContact O-N 2.88Å; S120-V124 WeakPolarHBondContact O-CG2 3.35Å; S120-V124 PolarHBondContact O-N 2.68Å
121S62.5Low58.9Low13 Ų1388.1 Ų88.19%0.09144%0.441CS..Hα-helixtrans-63.3-39.517771.60000111.8L98 F117 L118 V124 I125L98-S121 WeakPolarHBondContact CD2-OG 3.31Å; F117-S121 WeakPolarHBondContact O-CB 3.28Å; F117-S121 PolarHBondContact O-N 2.84Å; F117-S121 PolarHBondContact O-OG 3.48Å; L118-S121 WeakPolarHBondContact CA-OG 3.46Å; L118-S121 PolarHBondContact O-N 3.18Å; L118-S121 PolarHBondContact O-OG 2.86Å; S121-V124 PolarHBondContact O-N 2.99Å; S121-I125 WeakPolarHBondContact O-CB 3.29Å; S121-I125 WeakPolarHBondContact O-CD1 3.25Å; S121-I125 WeakPolarHBondContact O-CG1 3.37Å; S121-I125 PolarHBondContact O-N 3.32Å
122C62Low58.7Low38 Ų3885.1 Ų85.126%0.25743%0.428SS..Hα-helixtrans-63.6-42.8176.2-170.90000111.7L118 M119 S120 I125 T126L118-C122 WeakPolarHBondContact O-CB 3.49Å; L118-C122 PolarHBondContact O-N 3.46Å; M119-C122 WeakPolarHBondContact O-CB 3.37Å; M119-C122 PolarHBondContact O-N 2.85Å; S120-C122 VanDerWaalsContact C-N 3.32Å; S120-C122 PolarHBondContact O-N 3.47Å; C122-I125 PolarHBondContact O-N 2.79Å; C122-T126 WeakPolarHBondContact O-CB 3.33Å; C122-T126 PolarHBondContact O-N 3.48Å; C122-T126 PolarHBondContact O-OG1 3.48Å
123I62.3Low58.6Low98 Ų9879.4 Ų79.450%0.50341%0.408SS..Hα-helixtrans-62.7-46.9175.3-67.7163.5000110.9M119 S120 I125 T126 L127M119-I123 VanDerWaalsContact O-CG1 3.26Å; M119-I123 WeakPolarHBondContact O-CG1 3.45Å; M119-I123 PolarHBondContact O-N 3.29Å; S120-I123 PolarHBondContact O-N 2.88Å; I123-I125 VanDerWaalsContact C-N 3.34Å; I123-I125 PolarHBondContact O-N 3.29Å; I123-T126 PolarHBondContact O-N 3.5Å; I123-L127 HydrophobicContact CG2-CD1 3.77Å; I123-L127 HydrophobicContact CG2-CG 4.32Å; I123-L127 WeakPolarHBondContact O-CB 3.33Å; I123-L127 WeakPolarHBondContact O-CG 3.46Å; I123-L127 PolarHBondContact O-N 3.05Å
124V61.6Low58.4Low77 Ų7783 Ų8347%0.46742%0.416SS..Hα-helixtrans-62.5-42-179.7172.30000111.2S120 S121 L127 N128S120-V124 WeakPolarHBondContact O-CG2 3.35Å; S120-V124 PolarHBondContact O-N 2.68Å; S121-V124 PolarHBondContact O-N 2.99Å; V124-L127 PolarHBondContact O-N 2.81Å; V124-N128 WeakPolarHBondContact CG1-ND2 3.26Å; V124-N128 PolarHBondContact O-N 3Å; V124-N128 PolarHBondContact O-ND2 3.42Å
125I60.4Low58Low25 Ų2589.6 Ų89.613%0.12845%0.445CS..Hα-helixtrans-65.9-45.4177.5-67.3164.9000110L91 S121 C122 I123 L127 N128 L129L91-I125 HydrophobicContact CD1-CG2 4.17Å; S121-I125 WeakPolarHBondContact O-CB 3.29Å; S121-I125 WeakPolarHBondContact O-CD1 3.25Å; S121-I125 WeakPolarHBondContact O-CG1 3.37Å; S121-I125 PolarHBondContact O-N 3.32Å; C122-I125 PolarHBondContact O-N 2.79Å; I123-I125 VanDerWaalsContact C-N 3.34Å; I123-I125 PolarHBondContact O-N 3.29Å; I125-L127 VanDerWaalsContact C-N 3.35Å; I125-L127 PolarHBondContact O-N 2.9Å; I125-N128 PolarHBondContact O-N 3.48Å; I125-L129 HydrophobicContact CG2-CD1 3.85Å; I125-L129 WeakPolarHBondContact O-CD1 3.5Å; I125-L129 VanDerWaalsContact O-CG 3.27Å; I125-L129 WeakPolarHBondContact O-CG 3.35Å; I125-L129 PolarHBondContact O-N 3.5Å
126T61.3Low57.4Low77 Ų7791 Ų9147%0.47246%0.462SS..Hα-helixtrans-60.9-42.1178-560000111.8C122 I123 L129 F130C122-T126 WeakPolarHBondContact O-CB 3.33Å; C122-T126 PolarHBondContact O-N 3.48Å; C122-T126 PolarHBondContact O-OG1 3.48Å; I123-T126 PolarHBondContact O-N 3.5Å; T126-L129 PolarHBondContact O-N 2.92Å; T126-F130 WeakPolarHBondContact O-CB 3.26Å; T126-F130 PolarHBondContact O-N 3.03Å
127L60.7Low57.4Low96 Ų9688.7 Ų88.750%0.50345%0.453SS..Hα-helixtrans-66.4-43177-77.4170.1000112.4I123 V124 I125 L129 F130 I131I123-L127 HydrophobicContact CG2-CD1 3.77Å; I123-L127 HydrophobicContact CG2-CG 4.32Å; I123-L127 WeakPolarHBondContact O-CB 3.33Å; I123-L127 WeakPolarHBondContact O-CG 3.46Å; I123-L127 PolarHBondContact O-N 3.05Å; V124-L127 PolarHBondContact O-N 2.81Å; I125-L127 VanDerWaalsContact C-N 3.35Å; I125-L127 PolarHBondContact O-N 2.9Å; L127-L129 VanDerWaalsContact C-N 3.31Å; L127-L129 PolarHBondContact O-N 2.95Å; L127-F130 PolarHBondContact O-N 3.47Å; L127-I131 VanDerWaalsContact O-CG1 3.31Å; L127-I131 WeakPolarHBondContact O-CG1 3.31Å; L127-I131 PolarHBondContact O-N 3.18Å
128N56.2Low57.2Low98 Ų9889.2 Ų89.252%0.52446%0.459SS..Hα-helixtrans-62.9-40.6176.8-83.1-71.2000111.5V124 I125 I131 F132V124-N128 WeakPolarHBondContact CG1-ND2 3.26Å; V124-N128 PolarHBondContact O-N 3Å; V124-N128 PolarHBondContact O-ND2 3.42Å; I125-N128 PolarHBondContact O-N 3.48Å; N128-I131 PolarHBondContact O-N 2.89Å; N128-F132 WeakPolarHBondContact O-CB 3.3Å; N128-F132 PolarHBondContact O-N 2.82Å
129L55.5Low57Low48 Ų4891.9 Ų91.925%0.25147%0.473SS..Hα-helixtrans-63.3-41.4174.2-69.7163.4000111.7I11 I125 T126 L127 F132 M133I11-L129 HydrophobicContact CD1-CD1 3.52Å; I11-L129 HydrophobicContact CD1-CD2 3.69Å; I11-L129 HydrophobicContact CD1-CG 4.26Å; I11-L129 HydrophobicContact CG2-CD1 4.08Å; I125-L129 HydrophobicContact CG2-CD1 3.85Å; I125-L129 WeakPolarHBondContact O-CD1 3.5Å; I125-L129 VanDerWaalsContact O-CG 3.27Å; I125-L129 WeakPolarHBondContact O-CG 3.35Å; I125-L129 PolarHBondContact O-N 3.5Å; T126-L129 PolarHBondContact O-N 2.92Å; L127-L129 VanDerWaalsContact C-N 3.31Å; L127-L129 PolarHBondContact O-N 2.95Å; L129-F132 PolarHBondContact O-N 3.13Å; L129-M133 VanDerWaalsContact O-CB 3.32Å; L129-M133 WeakPolarHBondContact O-CB 3.45Å; L129-M133 WeakPolarHBondContact O-CG 3.46Å; L129-M133 PolarHBondContact O-N 3.41Å
130F58.3Low56.7Low137 Ų13790.6 Ų90.660%0.60147%0.467SS*.Hα-helixtrans-63.4-41.9176.4-168.7-93.8000112.3T126 L127 M133 Y134T126-F130 WeakPolarHBondContact O-CB 3.26Å; T126-F130 PolarHBondContact O-N 3.03Å; L127-F130 PolarHBondContact O-N 3.47Å; F130-M133 PolarHBondContact O-N 2.9Å; F130-Y134 PolarHBondContact O-N 2.74Å
131I54.5Low56.5Low105 Ų10592.4 Ų92.454%0.53847%0.47SS..Hα-helixtrans-66.1-42.1177.1-67.7165.2000110.9L127 N128 M133 Y134 K135L127-I131 VanDerWaalsContact O-CG1 3.31Å; L127-I131 WeakPolarHBondContact O-CG1 3.31Å; L127-I131 PolarHBondContact O-N 3.18Å; N128-I131 PolarHBondContact O-N 2.89Å; I131-M133 VanDerWaalsContact C-N 3.33Å; I131-Y134 PolarHBondContact O-N 3.22Å; I131-K135 PolarHBondContact O-N 3.37Å
132F51.9Low56.1Low104 Ų10497.7 Ų97.746%0.45650%0.495SS..Hα-helixtrans-61.4-44.3176.2-173-97.8000111.2E87 N128 L129 Y134 K135 S136E87-F132 VanDerWaalsContact OE1-CE1 3.28Å; E87-F132 WeakPolarHBondContact OE1-CE1 3.44Å; E87-F132 WeakPolarHBondContact OE1-CZ 3.41Å; N128-F132 WeakPolarHBondContact O-CB 3.3Å; N128-F132 PolarHBondContact O-N 2.82Å; L129-F132 PolarHBondContact O-N 3.13Å; F132-Y134 VanDerWaalsContact C-N 3.29Å; F132-Y134 PolarHBondContact O-N 2.97Å; F132-K135 PolarHBondContact O-N 2.93Å; F132-S136 PolarHBondContact O-N 2.84Å
133M52.6Low55.7Low50 Ų50102 Ų10225%0.24651%0.512CS..Hα-helixtrans-62.8-29.5175.4-78-59.1-35.800114.3W3 I4 L129 F130 I131W3-M133 HydrophobicContact CH2-CE 4.43Å; W3-M133 HydrophobicContact CH2-SD 4.09Å; W3-M133 HydrophobicContact CZ2-CE 3.94Å; W3-M133 HydrophobicContact CZ2-SD 4.18Å; I4-M133 HydrophobicContact CB-CE 4.31Å; I4-M133 HydrophobicContact CD1-CE 3.23Å; I4-M133 HydrophobicContact CG1-CE 3.29Å; I4-M133 HydrophobicContact CG1-SD 3.99Å; I4-M133 HydrophobicContact CG2-CE 4.15Å; I4-M133 HydrophobicContact CG2-SD 4.39Å; L129-M133 VanDerWaalsContact O-CB 3.32Å; L129-M133 WeakPolarHBondContact O-CB 3.45Å; L129-M133 WeakPolarHBondContact O-CG 3.46Å; L129-M133 PolarHBondContact O-N 3.41Å; F130-M133 PolarHBondContact O-N 2.9Å; I131-M133 VanDerWaalsContact C-N 3.33Å
134Y52.4Low55.2Low196 Ų196102.3 Ų102.377%0.76951%0.513SS*.Hα-helixtrans-83.5-16.1179.3-154.2-90.9000112.8F130 I131 F132F130-Y134 PolarHBondContact O-N 2.74Å; I131-Y134 PolarHBondContact O-N 3.22Å; F132-Y134 VanDerWaalsContact C-N 3.29Å; F132-Y134 PolarHBondContact O-N 2.97Å
135K48.1Very low54.7Low192 Ų192104.4 Ų104.484%0.83552%0.516SS*.Hα-helixtrans-98.8-17.7-178.2-163.9171.7177.3179.30113.1I131 F132I131-K135 PolarHBondContact O-N 3.37Å; F132-K135 PolarHBondContact O-N 2.93Å
136S44.2Very low54.1Low125 Ų125111.6 Ų111.687%0.87455%0.552SS**  trans-97.10172.4-169.80000111.6F132F132-S136 PolarHBondContact O-N 2.84Å

Retrieved 136 of 136 residues in 54.5 ms (Link to these results)

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