A0A077ZEV5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZEV5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 108 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
1M39.8Very low58Low241 Ų241100.5 Ų100.5100%1.18753%0.526SS*.  0121.20-79.1167.9143.800105.4S3M1-S3 PolarHBondContact O-N 3.41Å
2Y48Very low58.5Low182 Ų182100.9 Ų100.971%0.71452%0.516SS*.  trans-63.7121.6173.8-79.1-80.3000107.9E6Y2-E6 WeakPolarHBondContact CA-OE2 2.84Å; Y2-E6 VanDerWaalsContact CD1-OE2 3.3Å; Y2-E6 WeakPolarHBondContact CD1-OE2 3.2Å
3S53.7Low58.9Low46 Ų4697.8 Ų97.832%0.32250%0.498SS..  trans-68.8144.6-179.4-167.10000108.6M1 S5 E6 I7M1-S3 PolarHBondContact O-N 3.41Å; S3-S5 VanDerWaalsContact CB-OG 3.28Å; S3-S5 WeakPolarHBondContact CB-OG 3.23Å; S3-S5 PolarHBondContact O-N 2.92Å; S3-S5 PolarHBondContact OG-OG 3.28Å; S3-S5 VanDerWaalsContact OG-OG 3.08Å; S3-E6 PolarHBondContact N-OE2 3.06Å; S3-E6 WeakPolarHBondContact O-CB 3.23Å; S3-E6 PolarHBondContact O-N 2.97Å; S3-I7 PolarHBondContact O-N 2.68Å
4I60.1Low59.7Low152 Ų15295.4 Ų95.478%0.77949%0.491SS*.Hα-helixtrans-55-28.6179.3-66170.7000110.3G8I4-G8 PolarHBondContact O-N 3.37Å
5S57.2Low60.4Low43 Ų4398 Ų9830%0.30149%0.492SS..Hα-helixtrans-61.1-46.3172.451.80000113S3 I7 G8 I9S3-S5 VanDerWaalsContact CB-OG 3.28Å; S3-S5 WeakPolarHBondContact CB-OG 3.23Å; S3-S5 PolarHBondContact O-N 2.92Å; S3-S5 PolarHBondContact OG-OG 3.28Å; S3-S5 VanDerWaalsContact OG-OG 3.08Å; S5-I7 PolarHBondContact O-N 3.16Å; S5-G8 PolarHBondContact O-N 3.12Å; S5-I9 VanDerWaalsContact O-CG1 3.29Å; S5-I9 WeakPolarHBondContact O-CG1 3.09Å; S5-I9 PolarHBondContact O-N 3.02Å
6E53Low60.8Low45 Ų4595.3 Ų95.321%0.2148%0.478CS..Hα-helixtrans-63.2-45.1180-65.2-179.2118.500111.1Y2 S3 G8 I9 F10Y2-E6 WeakPolarHBondContact CA-OE2 2.84Å; Y2-E6 VanDerWaalsContact CD1-OE2 3.3Å; Y2-E6 WeakPolarHBondContact CD1-OE2 3.2Å; S3-E6 PolarHBondContact N-OE2 3.06Å; S3-E6 WeakPolarHBondContact O-CB 3.23Å; S3-E6 PolarHBondContact O-N 2.97Å; E6-G8 VanDerWaalsContact C-N 3.27Å; E6-G8 PolarHBondContact O-N 3.36Å; E6-I9 PolarHBondContact O-N 2.94Å; E6-F10 VanDerWaalsContact O-CD2 3.22Å; E6-F10 WeakPolarHBondContact O-CD2 3.41Å; E6-F10 PolarHBondContact O-N 3.17Å
7I62.5Low61.1Low94 Ų9496.1 Ų96.148%0.48248%0.483SS..Hα-helixtrans-62.5-38.5177.5-58.9173.6000110.4S3 S5 S11S3-I7 PolarHBondContact O-N 2.68Å; S5-I7 PolarHBondContact O-N 3.16Å; I7-S11 VanDerWaalsContact O-CB 3.25Å; I7-S11 WeakPolarHBondContact O-CB 3.33Å; I7-S11 PolarHBondContact O-N 2.88Å; I7-S11 PolarHBondContact O-OG 2.79Å
8G64.7Low61.5Low39 Ų39100.2 Ų100.240%0.40249%0.492SS..Hα-helixtrans-62.2-46.1174.700000112.5I4 S5 E6 S11 W12I4-G8 PolarHBondContact O-N 3.37Å; S5-G8 PolarHBondContact O-N 3.12Å; E6-G8 VanDerWaalsContact C-N 3.27Å; E6-G8 PolarHBondContact O-N 3.36Å; G8-S11 PolarHBondContact O-N 2.81Å; G8-W12 WeakPolarHBondContact O-CB 3.45Å; G8-W12 PolarHBondContact O-N 3.06Å
9I65Low61.6Low68 Ų6898.7 Ų98.735%0.34949%0.486SS..Hα-helixtrans-63.9-47.4177.8-65.8163.5000110.6S5 E6 S11 W12 Q13S5-I9 VanDerWaalsContact O-CG1 3.29Å; S5-I9 WeakPolarHBondContact O-CG1 3.09Å; S5-I9 PolarHBondContact O-N 3.02Å; E6-I9 PolarHBondContact O-N 2.94Å; I9-S11 PolarHBondContact O-N 3.43Å; I9-W12 PolarHBondContact O-N 3.19Å; I9-Q13 HydrophobicContact CG2-CG 4.35Å; I9-Q13 WeakPolarHBondContact O-CB 3.42Å; I9-Q13 WeakPolarHBondContact O-CG 3.15Å; I9-Q13 PolarHBondContact O-N 2.79Å
10F65.9Low61.6Low123 Ų12397.9 Ų97.954%0.53948%0.483SS..Hα-helixtrans-63.3-40.2178.5-85.5-69.7000112.5E6 T14E6-F10 VanDerWaalsContact O-CD2 3.22Å; E6-F10 WeakPolarHBondContact O-CD2 3.41Å; E6-F10 PolarHBondContact O-N 3.17Å; F10-T14 WeakPolarHBondContact O-CB 3.5Å; F10-T14 PolarHBondContact O-N 2.88Å; F10-T14 PolarHBondContact O-OG1 3.48Å
11S67.6Low61.5Low72 Ų72100.5 Ų100.550%0.50349%0.492SS..Hα-helixtrans-64.1-42.2176.5-60.90000111.3I7 G8 I9 W15I7-S11 VanDerWaalsContact O-CB 3.25Å; I7-S11 WeakPolarHBondContact O-CB 3.33Å; I7-S11 PolarHBondContact O-N 2.88Å; I7-S11 PolarHBondContact O-OG 2.79Å; G8-S11 PolarHBondContact O-N 2.81Å; I9-S11 PolarHBondContact O-N 3.43Å; S11-W15 WeakPolarHBondContact O-CB 3.32Å; S11-W15 PolarHBondContact O-N 3.41Å
12W65.1Low62.3Low106 Ų10694.6 Ų94.640%0.40247%0.465SS..Hα-helixtrans-67.7-45.9177.8-178.1-102.2000112.6G8 I9 T14 W15 I16G8-W12 WeakPolarHBondContact O-CB 3.45Å; G8-W12 PolarHBondContact O-N 3.06Å; I9-W12 PolarHBondContact O-N 3.19Å; W12-T14 VanDerWaalsContact C-N 3.32Å; W12-T14 PolarHBondContact O-N 3.43Å; W12-W15 HydrophobicContact CD2-CE3 4.46Å; W12-W15 AromaticContact CE3-CE3 3.94Å; W12-W15 HydrophobicContact CE3-CE3 3.94Å; W12-W15 HydrophobicContact CE3-CZ3 4.32Å; W12-W15 AromaticContact CH2-CE3 3.97Å; W12-W15 HydrophobicContact CH2-CE3 3.97Å; W12-W15 AromaticContact CH2-CZ3 3.53Å; W12-W15 HydrophobicContact CH2-CZ3 3.53Å; W12-W15 HydrophobicContact CZ2-CE3 4.47Å; W12-W15 HydrophobicContact CZ2-CZ3 4.2Å; W12-W15 AromaticContact CZ3-CE3 3.68Å; W12-W15 HydrophobicContact CZ3-CE3 3.68Å; W12-W15 AromaticContact CZ3-CZ3 3.6Å; W12-W15 HydrophobicContact CZ3-CZ3 3.6Å; W12-W15 PolarHBondContact O-N 2.92Å; W12-W15 VanDerWaalsContact O-N 3.15Å; W12-I16 HydrophobicContact CZ2-CD1 3.93Å; W12-I16 HydrophobicContact CZ2-CG1 4.32Å; W12-I16 PolarHBondContact O-N 2.83Å
13Q63.2Low62.7Low60 Ų6090.4 Ų90.428%0.2845%0.451SS..Hα-helixtrans-58.7-45.4175.5-76.2-171.1-12.800111.2I9 W15 I16 I17I9-Q13 HydrophobicContact CG2-CG 4.35Å; I9-Q13 WeakPolarHBondContact O-CB 3.42Å; I9-Q13 WeakPolarHBondContact O-CG 3.15Å; I9-Q13 PolarHBondContact O-N 2.79Å; Q13-W15 VanDerWaalsContact C-N 3.3Å; Q13-W15 PolarHBondContact O-N 3.03Å; Q13-I16 PolarHBondContact O-N 3.46Å; Q13-I17 WeakPolarHBondContact O-CB 3.45Å; Q13-I17 VanDerWaalsContact O-CG1 3.26Å; Q13-I17 WeakPolarHBondContact O-CG1 3.31Å; Q13-I17 PolarHBondContact O-N 3Å
14T70.2Confident62.7Low65 Ų6590.6 Ų90.640%0.39946%0.455SS..Hα-helixtrans-62.4-39.3176.8-55.50000111.2F10 W12 R18F10-T14 WeakPolarHBondContact O-CB 3.5Å; F10-T14 PolarHBondContact O-N 2.88Å; F10-T14 PolarHBondContact O-OG1 3.48Å; W12-T14 VanDerWaalsContact C-N 3.32Å; W12-T14 PolarHBondContact O-N 3.43Å; T14-R18 WeakPolarHBondContact O-CB 3.45Å; T14-R18 VanDerWaalsContact O-CG 3.31Å; T14-R18 WeakPolarHBondContact O-CG 3.22Å; T14-R18 PolarHBondContact O-N 3.47Å
15W70.3Confident62.2Low134 Ų13485.3 Ų85.351%0.50843%0.434SS..Hα-helixtrans-66.6-46.2177.8-175.875000112.4S11 W12 Q13 I17 R18 L19S11-W15 WeakPolarHBondContact O-CB 3.32Å; S11-W15 PolarHBondContact O-N 3.41Å; W12-W15 HydrophobicContact CD2-CE3 4.46Å; W12-W15 AromaticContact CE3-CE3 3.94Å; W12-W15 HydrophobicContact CE3-CE3 3.94Å; W12-W15 HydrophobicContact CE3-CZ3 4.32Å; W12-W15 AromaticContact CH2-CE3 3.97Å; W12-W15 HydrophobicContact CH2-CE3 3.97Å; W12-W15 AromaticContact CH2-CZ3 3.53Å; W12-W15 HydrophobicContact CH2-CZ3 3.53Å; W12-W15 HydrophobicContact CZ2-CE3 4.47Å; W12-W15 HydrophobicContact CZ2-CZ3 4.2Å; W12-W15 AromaticContact CZ3-CE3 3.68Å; W12-W15 HydrophobicContact CZ3-CE3 3.68Å; W12-W15 AromaticContact CZ3-CZ3 3.6Å; W12-W15 HydrophobicContact CZ3-CZ3 3.6Å; W12-W15 PolarHBondContact O-N 2.92Å; W12-W15 VanDerWaalsContact O-N 3.15Å; Q13-W15 VanDerWaalsContact C-N 3.3Å; Q13-W15 PolarHBondContact O-N 3.03Å; W15-I17 PolarHBondContact O-N 3.2Å; W15-R18 PolarHBondContact O-N 2.88Å; W15-L19 HydrophobicContact CD2-CD1 4.48Å; W15-L19 HydrophobicContact CH2-CD1 3.63Å; W15-L19 HydrophobicContact CZ2-CD1 3.51Å; W15-L19 HydrophobicContact CZ3-CD1 4.16Å; W15-L19 WeakPolarHBondContact O-CB 3.39Å; W15-L19 PolarHBondContact O-N 2.9Å
16I66.3Low61.9Low54 Ų5489 Ų8928%0.27745%0.45SS..Hα-helixtrans-61.2-44.5175.6-72.1-169.2000111.1W12 Q13 R18 L19 L20W12-I16 HydrophobicContact CZ2-CD1 3.93Å; W12-I16 HydrophobicContact CZ2-CG1 4.32Å; W12-I16 PolarHBondContact O-N 2.83Å; Q13-I16 PolarHBondContact O-N 3.46Å; I16-R18 VanDerWaalsContact C-N 3.33Å; I16-R18 PolarHBondContact O-N 3.38Å; I16-L19 PolarHBondContact O-N 2.8Å; I16-L20 HydrophobicContact CG2-CD1 3.8Å; I16-L20 HydrophobicContact CG2-CG 4.25Å; I16-L20 WeakPolarHBondContact O-CB 3.14Å; I16-L20 WeakPolarHBondContact O-CG 3.33Å; I16-L20 PolarHBondContact O-N 3.25Å
17I66.8Low61.7Low110 Ų11093.8 Ų93.856%0.56447%0.473SS*.Hα-helixtrans-62.8-41.7178.7-68.1166.2000110.6Q13 W15 L20 K21Q13-I17 WeakPolarHBondContact O-CB 3.45Å; Q13-I17 VanDerWaalsContact O-CG1 3.26Å; Q13-I17 WeakPolarHBondContact O-CG1 3.31Å; Q13-I17 PolarHBondContact O-N 3Å; W15-I17 PolarHBondContact O-N 3.2Å; I17-L20 PolarHBondContact O-N 2.83Å; I17-K21 WeakPolarHBondContact O-CB 3.43Å; I17-K21 PolarHBondContact O-N 3.45Å
18R67.1Low60.9Low170 Ų17097.3 Ų97.364%0.64249%0.487SS*.Hα-helixtrans-62.1-43.4174.1-76.8179.4-177.1-178.12.5111.6T14 W15 I16 K21 D22T14-R18 WeakPolarHBondContact O-CB 3.45Å; T14-R18 VanDerWaalsContact O-CG 3.31Å; T14-R18 WeakPolarHBondContact O-CG 3.22Å; T14-R18 PolarHBondContact O-N 3.47Å; W15-R18 PolarHBondContact O-N 2.88Å; I16-R18 VanDerWaalsContact C-N 3.33Å; I16-R18 PolarHBondContact O-N 3.38Å; R18-K21 PolarHBondContact O-N 2.83Å; R18-D22 WeakPolarHBondContact O-CB 3.37Å; R18-D22 PolarHBondContact O-N 3.43Å
19L64.5Low59.9Low71 Ų71105.3 Ų105.337%0.37251%0.505SS..Hα-helixtrans-66.5-40180-157.4151.2000111.7W15 I16 K23W15-L19 HydrophobicContact CD2-CD1 4.48Å; W15-L19 HydrophobicContact CH2-CD1 3.63Å; W15-L19 HydrophobicContact CZ2-CD1 3.51Å; W15-L19 HydrophobicContact CZ3-CD1 4.16Å; W15-L19 WeakPolarHBondContact O-CB 3.39Å; W15-L19 PolarHBondContact O-N 2.9Å; I16-L19 PolarHBondContact O-N 2.8Å; L19-K23 HydrophobicContact CD2-CD 4.35Å; L19-K23 WeakPolarHBondContact O-CB 3.38Å; L19-K23 WeakPolarHBondContact O-CG 3.38Å; L19-K23 PolarHBondContact O-N 3.4Å
20L60.5Low58.9Low82 Ų82107.4 Ų107.443%0.42952%0.516SS..Hα-helixtrans-65.9-41172.2-73.6171.4000111.8I16 I17 K23 A24I16-L20 HydrophobicContact CG2-CD1 3.8Å; I16-L20 HydrophobicContact CG2-CG 4.25Å; I16-L20 WeakPolarHBondContact O-CB 3.14Å; I16-L20 WeakPolarHBondContact O-CG 3.33Å; I16-L20 PolarHBondContact O-N 3.25Å; I17-L20 PolarHBondContact O-N 2.83Å; L20-K23 PolarHBondContact O-N 2.89Å; L20-A24 VanDerWaalsContact O-CB 3.32Å; L20-A24 WeakPolarHBondContact O-CB 3.27Å; L20-A24 PolarHBondContact O-N 2.77Å
21K59.5Low57.7Low154 Ų154106 Ų10667%0.6752%0.519SS*.Hα-helixtrans-67.3-39.7177.8-170.1178.4-179.2179.60111.7I17 R18 A24 A25I17-K21 WeakPolarHBondContact O-CB 3.43Å; I17-K21 PolarHBondContact O-N 3.45Å; R18-K21 PolarHBondContact O-N 2.83Å; K21-A24 PolarHBondContact O-N 3.45Å; K21-A25 WeakPolarHBondContact O-CB 3.44Å; K21-A25 PolarHBondContact O-N 2.8Å
22D57.9Low56.5Low116 Ų116111.1 Ų111.162%0.6254%0.54SS*.Hα-helixtrans-66.9-39.5175.1-80-8.5000110.9R18 N26R18-D22 WeakPolarHBondContact O-CB 3.37Å; R18-D22 PolarHBondContact O-N 3.43Å; D22-N26 WeakPolarHBondContact O-CB 3.28Å; D22-N26 PolarHBondContact O-N 3.18Å
23K56.1Low55.2Low95 Ų95113.2 Ų113.241%0.41356%0.558SS.*Hα-helixtrans-65.3-45.9172.9-76.7-163177.4-163.80112.6L19 L20 A25 N26 E27 H50L19-K23 HydrophobicContact CD2-CD 4.35Å; L19-K23 WeakPolarHBondContact O-CB 3.38Å; L19-K23 WeakPolarHBondContact O-CG 3.38Å; L19-K23 PolarHBondContact O-N 3.4Å; L20-K23 PolarHBondContact O-N 2.89Å; K23-A25 VanDerWaalsContact C-N 3.35Å; K23-A25 PolarHBondContact O-N 3.28Å; K23-N26 PolarHBondContact O-N 2.85Å; K23-N26 VanDerWaalsContact O-N 3.17Å; K23-E27 PolarHBondContact O-N 3.47Å; K23-H50 PolarHBondContact NZ-CE1 3.38Å
24A54.3Low54Low49 Ų49112.8 Ų112.841%0.40557%0.569SS.*Hα-helixtrans-64.3-39.1176.800000111.8L20 K21 N26 E27 Q28L20-A24 VanDerWaalsContact O-CB 3.32Å; L20-A24 WeakPolarHBondContact O-CB 3.27Å; L20-A24 PolarHBondContact O-N 2.77Å; K21-A24 PolarHBondContact O-N 3.45Å; A24-N26 VanDerWaalsContact C-N 3.32Å; A24-E27 PolarHBondContact O-N 3.49Å; A24-Q28 WeakPolarHBondContact O-CB 3.31Å; A24-Q28 PolarHBondContact O-N 3.3Å
25A49.4Very low52.4Low41 Ų41116.3 Ų116.334%0.33959%0.59SS.*Hα-helixtrans-68.5-31.6174.400000112.1K21 K23 R29K21-A25 WeakPolarHBondContact O-CB 3.44Å; K21-A25 PolarHBondContact O-N 2.8Å; K23-A25 VanDerWaalsContact C-N 3.35Å; K23-A25 PolarHBondContact O-N 3.28Å; A25-R29 VanDerWaalsContact O-CB 3.23Å; A25-R29 WeakPolarHBondContact O-CB 3.16Å; A25-R29 VanDerWaalsContact O-CG 3.23Å; A25-R29 WeakPolarHBondContact O-CG 3.29Å; A25-R29 PolarHBondContact O-N 3.4Å
26N50.3Low50.9Low121 Ų121120.4 Ų120.465%0.64761%0.606SS**Hα-helixtrans-74-36.3175.5-161.741.6000112D22 K23 A24D22-N26 WeakPolarHBondContact O-CB 3.28Å; D22-N26 PolarHBondContact O-N 3.18Å; K23-N26 PolarHBondContact O-N 2.85Å; K23-N26 VanDerWaalsContact O-N 3.17Å; A24-N26 VanDerWaalsContact C-N 3.32Å
27E47.9Very low49.9Very low146 Ų146125.8 Ų125.868%0.68263%0.628SS**Hα-helixtrans-73-38.2172.5-73179.2160.400112.1K23 A24 R29 I30K23-E27 PolarHBondContact O-N 3.47Å; A24-E27 PolarHBondContact O-N 3.49Å; E27-R29 PolarHBondContact O-N 3.48Å; E27-I30 PolarHBondContact O-N 2.92Å; E27-I30 VanDerWaalsContact O-N 3.12Å
28Q45.8Very low48.9Very low168 Ų168126.7 Ų126.779%0.78564%0.64SS**Hα-helixtrans-73.1-15.6176.1-159.9169.618.700112.6A24 I30A24-Q28 WeakPolarHBondContact O-CB 3.31Å; A24-Q28 PolarHBondContact O-N 3.3Å; Q28-I30 VanDerWaalsContact C-N 3.33Å
29R44.6Very low47.7Very low206 Ų206126.3 Ų126.378%0.77765%0.646SS**THydrogen-bonded Turntrans-89.617.1168.1-81.6-171.9-171.9-175.85.6113.8A25 E27 P31A25-R29 VanDerWaalsContact O-CB 3.23Å; A25-R29 WeakPolarHBondContact O-CB 3.16Å; A25-R29 VanDerWaalsContact O-CG 3.23Å; A25-R29 WeakPolarHBondContact O-CG 3.29Å; A25-R29 PolarHBondContact O-N 3.4Å; E27-R29 PolarHBondContact O-N 3.48Å; R29-P31 WeakPolarHBondContact O-CD 3.34Å
30I44Very low46.5Very low113 Ų113131.6 Ų131.658%0.57967%0.666SS**SBendtrans-88.186.4154.4-50.1174000106.2E27 Q28 L32 L33E27-I30 PolarHBondContact O-N 2.92Å; E27-I30 VanDerWaalsContact O-N 3.12Å; Q28-I30 VanDerWaalsContact C-N 3.33Å; I30-L32 PolarHBondContact O-N 2.79Å; I30-L32 VanDerWaalsContact O-N 3.16Å; I30-L33 HydrophobicContact CG2-CD1 4.33Å
31P39.5Very low45.7Very low93 Ų93135.5 Ų135.560%0.60468%0.682SS**  trans-64.3119.5175.828.3-34.5000107.4R29 L33R29-P31 WeakPolarHBondContact O-CD 3.34Å; P31-L33 PolarHBondContact O-N 2.84Å
32L42.2Very low44.8Very low179 Ų179135.8 Ų135.894%0.93769%0.691SS**  trans35.748.1143.9-91.3143.5000114.4I30 G34I30-L32 PolarHBondContact O-N 2.79Å; I30-L32 VanDerWaalsContact O-N 3.16Å; L32-G34 VanDerWaalsContact C-N 3.32Å; L32-G34 PolarHBondContact O-N 2.96Å
33L38.6Very low44.1Very low151 Ų151141.1 Ų141.179%0.79170%0.702SS**  trans-77.998.6-179.8-117.6151.2000104.5I30 P31I30-L33 HydrophobicContact CG2-CD1 4.33Å; P31-L33 PolarHBondContact O-N 2.84Å
34G37.7Very low43.4Very low50 Ų50145.7 Ų145.752%0.51572%0.722SS.*  trans-48.1143.5-166.900000112.7L32 W36L32-G34 VanDerWaalsContact C-N 3.32Å; L32-G34 PolarHBondContact O-N 2.96Å; G34-W36 PolarHBondContact O-N 3.41Å
35V37.9Very low42.8Very low139 Ų139150.1 Ų150.184%0.84275%0.747SS**  trans46.261.4134.1-165.90000112.8K37V35-K37 PolarHBondContact O-N 3.15Å
36W38.7Very low42.3Very low220 Ų220150.9 Ų150.983%0.83376%0.758SS**  trans-92.692.1164.2-139.969.3000108.6G34G34-W36 PolarHBondContact O-N 3.41Å
37K45.7Very low41.7Very low168 Ų168150.7 Ų150.773%0.7377%0.766SS**  trans-57135.7170.4-117.3177176.5178.30109V35 E39V35-K37 PolarHBondContact O-N 3.15Å; K37-E39 PolarHBondContact O-N 2.98Å
38P44.7Very low41.1Very low128 Ų128152.5 Ų152.583%0.83177%0.772SS**  trans-78.189.4176.931.4-31.5000109.2
39E41.8Very low40.7Very low162 Ų162154.7 Ų154.776%0.75777%0.773SS**  trans-99.4105.7165.3-160.7162.6-166.200108K37K37-E39 PolarHBondContact O-N 2.98Å
40K39Very low41Very low183 Ų183149.2 Ų149.280%0.79676%0.756SS**  trans13.5109.9155.5-64.8170.6178.5173.70114.6
41E44.9Very low41.1Very low163 Ų163148.8 Ų148.876%0.76276%0.76SS**  trans174106.2142.2-93.8154.2-144.700112.3W43E41-W43 VanDerWaalsContact O-CD1 3.28Å; E41-W43 PolarHBondContact O-N 2.97Å
42N40.2Very low41.4Very low160 Ų160148.6 Ų148.686%0.85675%0.753SS**  trans49.252.1138.9-59.6-42.9000121.2K44N42-K44 PolarHBondContact O-N 2.79Å
43W43.1Very low41.7Very low229 Ų229143.4 Ų143.487%0.86773%0.729SS**  trans-85.5104.1165.2-72.484.5000111.5E41E41-W43 VanDerWaalsContact O-CD1 3.28Å; E41-W43 PolarHBondContact O-N 2.97Å
44K42.1Very low42.3Very low191 Ų191140.9 Ų140.983%0.8372%0.716SS**  trans-62.3131.6167.3-75.1178.9176176.60109.4N42 G46N42-K44 PolarHBondContact O-N 2.79Å; K44-G46 VanDerWaalsContact C-N 3.34Å; K44-G46 PolarHBondContact O-N 3.43Å
45P40.9Very low42.9Very low142 Ų142141.5 Ų141.592%0.92271%0.711SS**  trans-77.687.5175.631.6-31000108.6
46G39Very low43.5Very low56 Ų56142.8 Ų142.858%0.57770%0.702SS**  trans-140.5116.1-179.900000110.6K44K44-G46 VanDerWaalsContact C-N 3.34Å; K44-G46 PolarHBondContact O-N 3.43Å
47S37.2Very low44.1Very low117 Ų117137.2 Ų137.282%0.81868%0.683SS**SBendtrans68.375.3159.364.20000118.7
48F36.6Very low44.5Very low184 Ų184131.9 Ų131.981%0.80767%0.667SS**  trans-149.375.3135.1-130.7-100.2000109.8H50F48-H50 VanDerWaalsContact C-N 3.31Å; F48-H50 HydrophobicContact CD1-CB 3.85Å; F48-H50 HydrophobicContact CE1-CB 4.16Å; F48-H50 AromaticContact CE1-CD2 3.55Å; F48-H50 PolarHBondContact O-N 3.37Å
49R37.4Very low44.9Very low214 Ų214131.9 Ų131.981%0.80865%0.654SS**  trans-74.186.7165.7-76.2-173.8-166.4179.33.6107.9D52R49-D52 WeakPolarHBondContact CD-OD2 3.5Å
50H49Very low45.8Very low91 Ų91129.3 Ų129.342%0.42165%0.645SS.*  trans-108.5-2.8174.2-149-55.3000112.8K23 F48K23-H50 PolarHBondContact NZ-CE1 3.38Å; F48-H50 VanDerWaalsContact C-N 3.31Å; F48-H50 HydrophobicContact CD1-CB 3.85Å; F48-H50 HydrophobicContact CE1-CB 4.16Å; F48-H50 AromaticContact CE1-CD2 3.55Å; F48-H50 PolarHBondContact O-N 3.37Å
51T47.3Very low46.7Very low105 Ų105122.4 Ų122.464%0.64462%0.619SS**SBendtrans-97.8-14.1-179.134.40000114.6
52D46.2Very low47.3Very low88 Ų88118.7 Ų118.747%0.47160%0.604SS.*SBendtrans-89.8-14.3-177.3-57.5-38.7000113.7R49 P55 Y56R49-D52 WeakPolarHBondContact CD-OD2 3.5Å; D52-P55 WeakPolarHBondContact O-CD 3.31Å; D52-P55 WeakPolarHBondContact O-CG 3.3Å; D52-Y56 VanDerWaalsContact O-CD2 3.3Å; D52-Y56 WeakPolarHBondContact O-CD2 3.37Å; D52-Y56 WeakPolarHBondContact O-CE2 3.44Å
53T48.3Very low48.3Very low70 Ų70116.1 Ų116.143%0.42959%0.594SS.*SBendtrans-87.8-22.1-177.2-15.50000113.3Y56 F57T53-Y56 PolarHBondContact O-N 3.46Å; T53-F57 HydrophobicContact CG2-CE2 4.2Å; T53-F57 WeakPolarHBondContact O-CD2 3.26Å
54L50.1Low49.2Very low99 Ų99114.4 Ų114.452%0.51859%0.587SS.*Hα-helixtrans-63.5-39.6-179.4-80.2159.8000114.9Y56 F57L54-Y56 VanDerWaalsContact C-N 3.29Å; L54-Y56 PolarHBondContact O-N 2.75Å; L54-F57 PolarHBondContact O-N 3.29Å
55P51.2Low49.9Very low63 Ų63106.8 Ų106.841%0.40956%0.555SS.*Hα-helixtrans-63.7-35.4177.921.9-31.9000112.2D52 F57 C58 F59D52-P55 WeakPolarHBondContact O-CD 3.31Å; D52-P55 WeakPolarHBondContact O-CG 3.3Å; P55-F57 PolarHBondContact O-N 2.72Å; P55-C58 PolarHBondContact O-N 3.27Å; P55-F59 HydrophobicContact CB-CE2 4.43Å; P55-F59 WeakPolarHBondContact O-CD2 3.38Å; P55-F59 PolarHBondContact O-N 3.45Å
56Y49.7Very low50.8Low165 Ų165103.5 Ų103.565%0.64754%0.535SS*.Hα-helixtrans-65.8-34.1-177.1-69.6-79.4000113.7D52 T53 L54 C58 F59 L60D52-Y56 VanDerWaalsContact O-CD2 3.3Å; D52-Y56 WeakPolarHBondContact O-CD2 3.37Å; D52-Y56 WeakPolarHBondContact O-CE2 3.44Å; T53-Y56 PolarHBondContact O-N 3.46Å; L54-Y56 VanDerWaalsContact C-N 3.29Å; L54-Y56 PolarHBondContact O-N 2.75Å; Y56-C58 VanDerWaalsContact C-N 3.28Å; Y56-C58 PolarHBondContact O-N 2.96Å; Y56-F59 PolarHBondContact O-N 3.44Å; Y56-L60 PolarHBondContact O-N 2.75Å
57F51.8Low51.8Low103 Ų103102.8 Ų102.845%0.45253%0.528SS..Hα-helixtrans-70.9-23.6176.9-80.3-78.8000113.3T53 L54 P55 L60 P61T53-F57 HydrophobicContact CG2-CE2 4.2Å; T53-F57 WeakPolarHBondContact O-CD2 3.26Å; L54-F57 PolarHBondContact O-N 3.29Å; P55-F57 PolarHBondContact O-N 2.72Å; F57-L60 HydrophobicContact CD1-CD1 4.23Å; F57-P61 VanDerWaalsContact O-CD 3.29Å; F57-P61 WeakPolarHBondContact O-CD 3.38Å
58C54.2Low52.8Low56 Ų56100.1 Ų100.138%0.37851%0.507SS..Hα-helixtrans-79.5-21.4175.1-69.10000113.4P55 Y56 P61P55-C58 PolarHBondContact O-N 3.27Å; Y56-C58 VanDerWaalsContact C-N 3.28Å; Y56-C58 PolarHBondContact O-N 2.96Å; C58-P61 WeakPolarHBondContact O-CD 3.44Å
59F53.2Low53.4Low128 Ų12895.2 Ų95.256%0.56148%0.484SS*.Hα-helixtrans-87.2-24.8178.8-74.4-73.2000113.9P55 Y56 L62 V63P55-F59 HydrophobicContact CB-CE2 4.43Å; P55-F59 WeakPolarHBondContact O-CD2 3.38Å; P55-F59 PolarHBondContact O-N 3.45Å; Y56-F59 PolarHBondContact O-N 3.44Å; F59-L62 HydrophobicContact CD1-CD1 4.22Å; F59-L62 WeakPolarHBondContact O-CB 3.35Å; F59-L62 PolarHBondContact O-N 2.91Å; F59-L62 VanDerWaalsContact O-N 3.17Å; F59-V63 PolarHBondContact O-N 3.41Å; F59-V63 VanDerWaalsContact O-N 3.14Å
60L59.8Low54.2Low108 Ų10891.8 Ų91.857%0.56548%0.48SS*.Hα-helixtrans-57.4-41.5178.2-83.2157.3000113.8Y56 F57 V63 W64Y56-L60 PolarHBondContact O-N 2.75Å; F57-L60 HydrophobicContact CD1-CD1 4.23Å; L60-V63 PolarHBondContact O-N 3.46Å; L60-W64 WeakPolarHBondContact O-CB 3.31Å; L60-W64 PolarHBondContact O-N 2.85Å
61P58.7Low54.5Low39 Ų3998 Ų9825%0.25350%0.5SS..Hα-helixtrans-64.6-38.9174.6-20.531.6000112.7F57 C58 V63 W64 I65F57-P61 VanDerWaalsContact O-CD 3.29Å; F57-P61 WeakPolarHBondContact O-CD 3.38Å; C58-P61 WeakPolarHBondContact O-CD 3.44Å; P61-V63 PolarHBondContact O-N 2.85Å; P61-W64 PolarHBondContact O-N 3.48Å; P61-I65 HydrophobicContact CB-CD1 4.39Å; P61-I65 WeakPolarHBondContact O-CB 3.3Å; P61-I65 VanDerWaalsContact O-CD1 3.3Å; P61-I65 WeakPolarHBondContact O-CD1 3.2Å; P61-I65 WeakPolarHBondContact O-CG1 3.48Å; P61-I65 PolarHBondContact O-N 2.99Å
62L56.5Low54.5Low85 Ų8597.9 Ų97.945%0.44550%0.495SS..Hα-helixtrans-62.4-43.6178.8-85.1149.5000111.5F59 I65 S66F59-L62 HydrophobicContact CD1-CD1 4.22Å; F59-L62 WeakPolarHBondContact O-CB 3.35Å; F59-L62 PolarHBondContact O-N 2.91Å; F59-L62 VanDerWaalsContact O-N 3.17Å; L62-I65 PolarHBondContact O-N 3.43Å; L62-S66 PolarHBondContact O-N 2.86Å; L62-S66 PolarHBondContact O-OG 2.83Å; L62-S66 VanDerWaalsContact O-OG 3.07Å
63V62.8Low54.8Low106 Ų10698.9 Ų98.964%0.64251%0.507SS*.Hα-helixtrans-67-41.2177177.90000111.4F59 L60 P61 S66 G67F59-V63 PolarHBondContact O-N 3.41Å; F59-V63 VanDerWaalsContact O-N 3.14Å; L60-V63 PolarHBondContact O-N 3.46Å; P61-V63 PolarHBondContact O-N 2.85Å; V63-S66 PolarHBondContact O-N 2.95Å; V63-G67 PolarHBondContact O-N 3.46Å; V63-G67 VanDerWaalsContact O-N 3.1Å
64W60.3Low54.9Low193 Ų193106 Ų10673%0.73153%0.527SS*.Hα-helixtrans-63.2-44.3177.5-169.7-87.4000111.7L60 P61 G67 T68L60-W64 WeakPolarHBondContact O-CB 3.31Å; L60-W64 PolarHBondContact O-N 2.85Å; P61-W64 PolarHBondContact O-N 3.48Å; W64-G67 WeakPolarHBondContact O-CA 3.21Å; W64-G67 PolarHBondContact O-N 3.43Å; W64-G67 VanDerWaalsContact O-N 3.09Å; W64-T68 PolarHBondContact O-N 3.07Å
65I57Low55Low30 Ų30105.6 Ų105.615%0.15452%0.523CS..Hα-helixtrans-67.2-39.2179.8-71.8166.2000110.9P61 L62 G67 T68 Y69 F79P61-I65 HydrophobicContact CB-CD1 4.39Å; P61-I65 WeakPolarHBondContact O-CB 3.3Å; P61-I65 VanDerWaalsContact O-CD1 3.3Å; P61-I65 WeakPolarHBondContact O-CD1 3.2Å; P61-I65 WeakPolarHBondContact O-CG1 3.48Å; P61-I65 PolarHBondContact O-N 2.99Å; L62-I65 PolarHBondContact O-N 3.43Å; I65-G67 VanDerWaalsContact C-N 3.25Å; I65-G67 PolarHBondContact O-N 3.17Å; I65-T68 WeakPolarHBondContact CA-OG1 3.25Å; I65-T68 PolarHBondContact O-N 3.22Å; I65-T68 PolarHBondContact O-OG1 3.37Å; I65-Y69 HydrophobicContact CG2-CD2 3.9Å; I65-Y69 HydrophobicContact CG2-CE2 3.21Å; I65-Y69 WeakPolarHBondContact O-CD2 3.14Å; I65-Y69 PolarHBondContact O-N 3.34Å; I65-F79 HydrophobicContact CG2-CD2 4.01Å; I65-F79 HydrophobicContact CG2-CE2 3.54Å
66S59.8Low54.7Low73 Ų73109.7 Ų109.751%0.5153%0.534SS..Hα-helixtrans-59.2-34.4169.2-64.90000113.2L62 V63L62-S66 PolarHBondContact O-N 2.86Å; L62-S66 PolarHBondContact O-OG 2.83Å; L62-S66 VanDerWaalsContact O-OG 3.07Å; V63-S66 PolarHBondContact O-N 2.95Å
67G60.4Low54.5Low41 Ų41110.2 Ų110.242%0.42354%0.543SS..Hα-helixtrans-70.1-38.8175.400000113.1V63 W64 I65 Y69 I70V63-G67 PolarHBondContact O-N 3.46Å; V63-G67 VanDerWaalsContact O-N 3.1Å; W64-G67 WeakPolarHBondContact O-CA 3.21Å; W64-G67 PolarHBondContact O-N 3.43Å; W64-G67 VanDerWaalsContact O-N 3.09Å; I65-G67 VanDerWaalsContact C-N 3.25Å; I65-G67 PolarHBondContact O-N 3.17Å; G67-Y69 VanDerWaalsContact C-N 3.33Å; G67-I70 PolarHBondContact O-N 3.38Å
68T58.8Low54.2Low62 Ų62107.7 Ų107.738%0.3854%0.541SS..Hα-helixtrans-71.7-27.4177.453.90000112.5W64 I65 I70 W71 D72W64-T68 PolarHBondContact O-N 3.07Å; I65-T68 WeakPolarHBondContact CA-OG1 3.25Å; I65-T68 PolarHBondContact O-N 3.22Å; I65-T68 PolarHBondContact O-OG1 3.37Å; T68-I70 PolarHBondContact O-N 3.36Å; T68-W71 PolarHBondContact O-N 3.5Å; T68-W71 VanDerWaalsContact O-N 3.11Å; T68-D72 PolarHBondContact O-N 2.88Å
69Y50Low53.6Low81 Ų81107.9 Ų107.932%0.31854%0.535SS..THydrogen-bonded Turntrans-62.1-23.9172.7-82.8-58.3000114.7I65 G67 W71 F79I65-Y69 HydrophobicContact CG2-CD2 3.9Å; I65-Y69 HydrophobicContact CG2-CE2 3.21Å; I65-Y69 WeakPolarHBondContact O-CD2 3.14Å; I65-Y69 PolarHBondContact O-N 3.34Å; G67-Y69 VanDerWaalsContact C-N 3.33Å; Y69-W71 VanDerWaalsContact C-N 3.26Å; Y69-F79 HydrophobicContact CE1-CG 4.43Å; Y69-F79 HydrophobicContact CE2-CD1 4.41Å; Y69-F79 AromaticContact CE2-CD2 3.73Å; Y69-F79 HydrophobicContact CE2-CD2 3.73Å; Y69-F79 HydrophobicContact CE2-CE1 4.13Å; Y69-F79 AromaticContact CE2-CE2 3.35Å; Y69-F79 HydrophobicContact CE2-CE2 3.35Å; Y69-F79 HydrophobicContact CE2-CG 4.2Å; Y69-F79 AromaticContact CE2-CZ 3.56Å; Y69-F79 HydrophobicContact CE2-CZ 3.56Å; Y69-F79 AromaticContact CZ-CD1 3.9Å; Y69-F79 AromaticContact CZ-CD2 3.47Å; Y69-F79 VanDerWaalsContact CZ-CD2 3.47Å; Y69-F79 AromaticContact CZ-CE2 3.62Å; Y69-F79 AromaticContact CZ-CG 3.57Å; Y69-F79 AromaticContact CZ-CZ 3.89Å; Y69-F79 WeakPolarHBondContact OH-CB 3.44Å; Y69-F79 WeakPolarHBondContact OH-CD2 3.26Å; Y69-F79 VanDerWaalsContact OH-CE2 3.3Å; Y69-F79 WeakPolarHBondContact OH-CE2 3.16Å; Y69-F79 WeakPolarHBondContact OH-CG 3.46Å
70I54.1Low53.1Low142 Ų142106.6 Ų106.673%0.72853%0.534SS*.THydrogen-bonded Turntrans-75.1-22.1178.5-61.9172.6000110.8G67 T68G67-I70 PolarHBondContact O-N 3.38Å; T68-I70 PolarHBondContact O-N 3.36Å
71W53.7Low52.4Low222 Ų222108.1 Ų108.184%0.84154%0.542SS*.THydrogen-bonded Turntrans-101.8-30.7-172.3-9646.9000114.9T68 Y69T68-W71 PolarHBondContact O-N 3.5Å; T68-W71 VanDerWaalsContact O-N 3.11Å; Y69-W71 VanDerWaalsContact C-N 3.26Å
72D47.3Very low51.9Low101 Ų101107.4 Ų107.454%0.5454%0.54SS..  trans-140.5104-178.6-93.8-67.3000112.2T68 Y74T68-D72 PolarHBondContact O-N 2.88Å; D72-Y74 PolarHBondContact O-N 3.21Å; D72-Y74 VanDerWaalsContact O-N 3.13Å
73P53.2Low51.6Low110 Ų110105.5 Ų105.571%0.71453%0.532SS*.THydrogen-bonded Turntrans-76.49.9-179.329.2-33.2000114.5
74Y50.9Low50.9Low220 Ų220104.4 Ų104.486%0.86353%0.525SS*.THydrogen-bonded Turntrans-104.4-1.2-168.4-104-88.8000116.1D72D72-Y74 PolarHBondContact O-N 3.21Å; D72-Y74 VanDerWaalsContact O-N 3.13Å
75E50.8Low50.3Low90 Ų9098 Ų9842%0.42151%0.51SS..  trans-107.756.9-175.5-64.2-160.1139.300113.8
76F45Very low50.1Low149 Ų14999 Ų9965%0.65452%0.517SS*.Hα-helixtrans-79.7-31.1-174.6-138-93.5000114.3D80F76-D80 PolarHBondContact O-N 2.8Å
77E45.9Very low49.7Very low176 Ų176101 Ų10182%0.82252%0.518SS*.Hα-helixtrans-80.1-38.9-174.3-72.1-166.3156.100113.9F79 D80E77-F79 PolarHBondContact O-N 3.34Å; E77-D80 PolarHBondContact O-N 2.92Å
78A46.1Very low49Very low50 Ų50102.8 Ų102.841%0.41352%0.523SS..Hα-helixtrans-66.5-27.6175.400000111.7A82A78-A82 WeakPolarHBondContact O-CB 3.13Å; A78-A82 PolarHBondContact O-N 2.85Å; A78-A82 VanDerWaalsContact O-N 3.08Å
79F42.3Very low48.7Very low59 Ų59101.4 Ų101.426%0.25952%0.521SS..Hα-helixtrans-68.2-45.2176.7-178.5-127.6000113.1I65 Y69 E77 L81 A82 V83I65-F79 HydrophobicContact CG2-CD2 4.01Å; I65-F79 HydrophobicContact CG2-CE2 3.54Å; Y69-F79 HydrophobicContact CE1-CG 4.43Å; Y69-F79 HydrophobicContact CE2-CD1 4.41Å; Y69-F79 AromaticContact CE2-CD2 3.73Å; Y69-F79 HydrophobicContact CE2-CD2 3.73Å; Y69-F79 HydrophobicContact CE2-CE1 4.13Å; Y69-F79 AromaticContact CE2-CE2 3.35Å; Y69-F79 HydrophobicContact CE2-CE2 3.35Å; Y69-F79 HydrophobicContact CE2-CG 4.2Å; Y69-F79 AromaticContact CE2-CZ 3.56Å; Y69-F79 HydrophobicContact CE2-CZ 3.56Å; Y69-F79 AromaticContact CZ-CD1 3.9Å; Y69-F79 AromaticContact CZ-CD2 3.47Å; Y69-F79 VanDerWaalsContact CZ-CD2 3.47Å; Y69-F79 AromaticContact CZ-CE2 3.62Å; Y69-F79 AromaticContact CZ-CG 3.57Å; Y69-F79 AromaticContact CZ-CZ 3.89Å; Y69-F79 WeakPolarHBondContact OH-CB 3.44Å; Y69-F79 WeakPolarHBondContact OH-CD2 3.26Å; Y69-F79 VanDerWaalsContact OH-CE2 3.3Å; Y69-F79 WeakPolarHBondContact OH-CE2 3.16Å; Y69-F79 WeakPolarHBondContact OH-CG 3.46Å; E77-F79 PolarHBondContact O-N 3.34Å; F79-L81 PolarHBondContact O-N 2.77Å; F79-A82 CarbonylContact O-C 3.59Å; F79-A82 PolarHBondContact O-N 3.39Å; F79-V83 HydrophobicContact CD1-CG2 4.05Å; F79-V83 HydrophobicContact CD2-CG2 3.43Å; F79-V83 VanDerWaalsContact CD2-CG2 3.43Å; F79-V83 HydrophobicContact CE1-CG2 3.75Å; F79-V83 HydrophobicContact CE2-CG2 3.11Å; F79-V83 HydrophobicContact CG-CG2 3.94Å; F79-V83 HydrophobicContact CZ-CG2 3.32Å; F79-V83 WeakPolarHBondContact O-CB 3.25Å; F79-V83 VanDerWaalsContact O-CG2 3.31Å; F79-V83 WeakPolarHBondContact O-CG2 3.38Å; F79-V83 PolarHBondContact O-N 2.79Å
80D42.7Very low49Very low102 Ų102100.4 Ų100.455%0.54552%0.524SS..Hα-helixtrans-60.7-42.1-177.8-155.6-95.8000110F76 E77 A82 V83 V84F76-D80 PolarHBondContact O-N 2.8Å; E77-D80 PolarHBondContact O-N 2.92Å; D80-A82 PolarHBondContact O-N 3.49Å; D80-V83 PolarHBondContact O-N 3.23Å; D80-V84 VanDerWaalsContact O-CB 3.23Å; D80-V84 WeakPolarHBondContact O-CB 3.29Å; D80-V84 WeakPolarHBondContact O-CG2 3.04Å; D80-V84 PolarHBondContact O-N 3.26Å
81L44.5Very low48.9Very low139 Ų13997.8 Ų97.873%0.72851%0.511SS*.Hα-helixtrans-64.6-39.4173.8-116.2118.1000113.3F79 S85F79-L81 PolarHBondContact O-N 2.77Å; L81-S85 WeakPolarHBondContact O-CB 3.22Å; L81-S85 PolarHBondContact O-N 2.8Å
82A48.5Very low48.9Very low24 Ų2490.5 Ų90.520%0.19849%0.494CS..Hα-helixtrans-70-41.9178.200000112.1A78 F79 D80 S85 V86A78-A82 WeakPolarHBondContact O-CB 3.13Å; A78-A82 PolarHBondContact O-N 2.85Å; A78-A82 VanDerWaalsContact O-N 3.08Å; F79-A82 CarbonylContact O-C 3.59Å; F79-A82 PolarHBondContact O-N 3.39Å; D80-A82 PolarHBondContact O-N 3.49Å; A82-S85 PolarHBondContact O-N 3.46Å; A82-V86 WeakPolarHBondContact O-CB 3.25Å; A82-V86 VanDerWaalsContact O-CG2 3.25Å; A82-V86 WeakPolarHBondContact O-CG2 3.12Å; A82-V86 PolarHBondContact O-N 3.05Å
83V49.9Very low49.2Very low46 Ų4689.6 Ų89.628%0.27949%0.489SS..Hα-helixtrans-66.5-42.4175.9173.80000110.5F79 D80 S85 V86 H87F79-V83 HydrophobicContact CD1-CG2 4.05Å; F79-V83 HydrophobicContact CD2-CG2 3.43Å; F79-V83 VanDerWaalsContact CD2-CG2 3.43Å; F79-V83 HydrophobicContact CE1-CG2 3.75Å; F79-V83 HydrophobicContact CE2-CG2 3.11Å; F79-V83 HydrophobicContact CG-CG2 3.94Å; F79-V83 HydrophobicContact CZ-CG2 3.32Å; F79-V83 WeakPolarHBondContact O-CB 3.25Å; F79-V83 VanDerWaalsContact O-CG2 3.31Å; F79-V83 WeakPolarHBondContact O-CG2 3.38Å; F79-V83 PolarHBondContact O-N 2.79Å; D80-V83 PolarHBondContact O-N 3.23Å; V83-S85 VanDerWaalsContact C-N 3.34Å; V83-V86 PolarHBondContact O-N 3.32Å; V83-H87 WeakPolarHBondContact O-CB 3.21Å; V83-H87 PolarHBondContact O-N 3.48Å
84V48Very low49.4Very low82 Ų8289 Ų8950%0.49748%0.479SS..Hα-helixtrans-64.6-39.3174.4171.50000110.6D80 H87 C88D80-V84 VanDerWaalsContact O-CB 3.23Å; D80-V84 WeakPolarHBondContact O-CB 3.29Å; D80-V84 WeakPolarHBondContact O-CG2 3.04Å; D80-V84 PolarHBondContact O-N 3.26Å; V84-H87 PolarHBondContact O-N 3.48Å; V84-C88 WeakPolarHBondContact O-CB 3.12Å; V84-C88 PolarHBondContact O-N 3.14Å
85S48Very low49.6Very low60 Ų6081.6 Ų81.642%0.4246%0.46SS..Hα-helixtrans-64.6-42.6174.8-173.70000112.2L81 A82 V83 C88 G89L81-S85 WeakPolarHBondContact O-CB 3.22Å; L81-S85 PolarHBondContact O-N 2.8Å; A82-S85 PolarHBondContact O-N 3.46Å; V83-S85 VanDerWaalsContact C-N 3.34Å; S85-C88 PolarHBondContact O-N 3.17Å; S85-G89 PolarHBondContact O-N 3.04Å
86V52.9Low49.7Very low50 Ų5081 Ų8130%0.30347%0.465SS..Hα-helixtrans-67.2-43.9175.4172.20000110.7A82 V83 C88 G89 V90A82-V86 WeakPolarHBondContact O-CB 3.25Å; A82-V86 VanDerWaalsContact O-CG2 3.25Å; A82-V86 WeakPolarHBondContact O-CG2 3.12Å; A82-V86 PolarHBondContact O-N 3.05Å; V83-V86 PolarHBondContact O-N 3.32Å; V86-C88 PolarHBondContact O-N 2.87Å; V86-G89 PolarHBondContact O-N 2.9Å; V86-V90 HydrophobicContact CG1-CG2 4.16Å; V86-V90 VanDerWaalsContact O-CB 3.25Å; V86-V90 WeakPolarHBondContact O-CB 3.46Å; V86-V90 WeakPolarHBondContact O-CG2 3.48Å; V86-V90 PolarHBondContact O-N 3.32Å
87H50Low50.3Low115 Ų11578.7 Ų78.753%0.53246%0.458SS..Hα-helixtrans-64.1-40.3175.4-102.2-82.5000112V83 V84 N91V83-H87 WeakPolarHBondContact O-CB 3.21Å; V83-H87 PolarHBondContact O-N 3.48Å; V84-H87 PolarHBondContact O-N 3.48Å; H87-N91 WeakPolarHBondContact O-CB 3.3Å; H87-N91 PolarHBondContact O-N 3.45Å; H87-N91 PolarHBondContact O-ND2 3.08Å
88C46.9Very low50.8Low78 Ų7875 Ų7553%0.52744%0.443SS..Hα-helixtrans-71.7-36.9178.6-156.70000111.3V84 S85 V86 S92V84-C88 WeakPolarHBondContact O-CB 3.12Å; V84-C88 PolarHBondContact O-N 3.14Å; S85-C88 PolarHBondContact O-N 3.17Å; V86-C88 PolarHBondContact O-N 2.87Å; C88-S92 VanDerWaalsContact O-CB 3.26Å; C88-S92 WeakPolarHBondContact O-CB 3.18Å; C88-S92 PolarHBondContact O-N 2.86Å; C88-S92 PolarHBondContact O-OG 3.08Å
89G53.1Low51.1Low33 Ų3381.7 Ų81.734%0.3446%0.458SS..Hα-helixtrans-65.9-45.3172.800000112.5S85 V86 S92 L93S85-G89 PolarHBondContact O-N 3.04Å; V86-G89 PolarHBondContact O-N 2.9Å; G89-S92 PolarHBondContact O-N 2.77Å; G89-L93 VanDerWaalsContact O-CB 3.31Å; G89-L93 WeakPolarHBondContact O-CB 3.28Å; G89-L93 PolarHBondContact O-N 3.46Å
90V54.7Low51.5Low61 Ų6185 Ų8537%0.3747%0.474SS..Hα-helixtrans-68.4-39.7176.1172.90000110.9V86 L93 L94V86-V90 HydrophobicContact CG1-CG2 4.16Å; V86-V90 VanDerWaalsContact O-CB 3.25Å; V86-V90 WeakPolarHBondContact O-CB 3.46Å; V86-V90 WeakPolarHBondContact O-CG2 3.48Å; V86-V90 PolarHBondContact O-N 3.32Å; V90-L93 PolarHBondContact O-N 2.76Å; V90-L94 WeakPolarHBondContact O-CB 3.29Å; V90-L94 PolarHBondContact O-N 3.1Å
91N52.1Low52Low86 Ų8685 Ų8546%0.4648%0.478SS..Hα-helixtrans-68.5-35.1175.1-73.4-17.8000112.3H87 S95H87-N91 WeakPolarHBondContact O-CB 3.3Å; H87-N91 PolarHBondContact O-N 3.45Å; H87-N91 PolarHBondContact O-ND2 3.08Å; N91-S95 WeakPolarHBondContact O-CB 3.09Å; N91-S95 PolarHBondContact O-N 3.23Å; N91-S95 PolarHBondContact O-OG 3.06Å
92S53.7Low52.4Low70 Ų7082.5 Ų82.549%0.4947%0.468SS..Hα-helixtrans-69.6-40.7171.8-830000112.2C88 G89 S95 C96C88-S92 VanDerWaalsContact O-CB 3.26Å; C88-S92 WeakPolarHBondContact O-CB 3.18Å; C88-S92 PolarHBondContact O-N 2.86Å; C88-S92 PolarHBondContact O-OG 3.08Å; G89-S92 PolarHBondContact O-N 2.77Å; S92-S95 PolarHBondContact O-N 3.47Å; S92-C96 VanDerWaalsContact O-CB 3.3Å; S92-C96 WeakPolarHBondContact O-CB 3.39Å; S92-C96 PolarHBondContact O-N 3.34Å
93L54.7Low52.5Low82 Ų8285.6 Ų85.643%0.42948%0.484SS..Hα-helixtrans-67.1-43.6175.3-100.2155.6000111.5G89 V90 C96 L97G89-L93 VanDerWaalsContact O-CB 3.31Å; G89-L93 WeakPolarHBondContact O-CB 3.28Å; G89-L93 PolarHBondContact O-N 3.46Å; V90-L93 PolarHBondContact O-N 2.76Å; L93-C96 PolarHBondContact O-N 2.85Å; L93-L97 VanDerWaalsContact O-CB 3.31Å; L93-L97 WeakPolarHBondContact O-CB 3.47Å; L93-L97 VanDerWaalsContact O-CG 3.28Å; L93-L97 WeakPolarHBondContact O-CG 3.33Å; L93-L97 PolarHBondContact O-N 3.09Å
94L56.5Low52.5Low96 Ų9689.9 Ų89.950%0.50350%0.503SS..Hα-helixtrans-64.8-41.3175.1-172.169.4000110.5V90 L97 L98V90-L94 WeakPolarHBondContact O-CB 3.29Å; V90-L94 PolarHBondContact O-N 3.1Å; L94-L97 PolarHBondContact O-N 3.43Å; L94-L98 HydrophobicContact CG-CD1 4.04Å; L94-L98 WeakPolarHBondContact O-CB 3.48Å; L94-L98 WeakPolarHBondContact O-CD1 3.3Å; L94-L98 WeakPolarHBondContact O-CG 3.34Å; L94-L98 PolarHBondContact O-N 2.94Å
95S55.2Low52.5Low66 Ų6688.1 Ų88.146%0.46250%0.502SS..Hα-helixtrans-65.5-38.1173.3-73.90000112.6N91 S92 R99N91-S95 WeakPolarHBondContact O-CB 3.09Å; N91-S95 PolarHBondContact O-N 3.23Å; N91-S95 PolarHBondContact O-OG 3.06Å; S92-S95 PolarHBondContact O-N 3.47Å; S95-R99 WeakPolarHBondContact O-CB 3.1Å; S95-R99 VanDerWaalsContact O-CG 3.31Å; S95-R99 WeakPolarHBondContact O-CG 3.23Å; S95-R99 PolarHBondContact O-N 3.48Å
96C53.3Low52.5Low78 Ų7891.7 Ų91.753%0.52752%0.516SS..Hα-helixtrans-68-43.9174.7-86.80000111.6S92 L93 R99 H100S92-C96 VanDerWaalsContact O-CB 3.3Å; S92-C96 WeakPolarHBondContact O-CB 3.39Å; S92-C96 PolarHBondContact O-N 3.34Å; L93-C96 PolarHBondContact O-N 2.85Å; C96-R99 PolarHBondContact O-N 3.07Å; C96-H100 PolarHBondContact O-N 3.04Å
97L57.9Low52Low99 Ų9999.9 Ų99.952%0.51854%0.541SS..Hα-helixtrans-64.9-43.3176.2-75.6169.4000111.1L93 L94 R99 H100 V101L93-L97 VanDerWaalsContact O-CB 3.31Å; L93-L97 WeakPolarHBondContact O-CB 3.47Å; L93-L97 VanDerWaalsContact O-CG 3.28Å; L93-L97 WeakPolarHBondContact O-CG 3.33Å; L93-L97 PolarHBondContact O-N 3.09Å; L94-L97 PolarHBondContact O-N 3.43Å; L97-R99 VanDerWaalsContact C-N 3.34Å; L97-R99 PolarHBondContact O-N 2.88Å; L97-H100 PolarHBondContact O-N 3.23Å; L97-V101 WeakPolarHBondContact O-CB 3.48Å; L97-V101 VanDerWaalsContact O-CG2 3.27Å; L97-V101 WeakPolarHBondContact O-CG2 3.4Å; L97-V101 PolarHBondContact O-N 3.06Å
98L56.3Low51.5Low98 Ų98106.7 Ų106.751%0.51357%0.57SS.*Hα-helixtrans-60.8-42.9173.4-78.3166.2000111.2L94 H100 V101 V102L94-L98 HydrophobicContact CG-CD1 4.04Å; L94-L98 WeakPolarHBondContact O-CB 3.48Å; L94-L98 WeakPolarHBondContact O-CD1 3.3Å; L94-L98 WeakPolarHBondContact O-CG 3.34Å; L94-L98 PolarHBondContact O-N 2.94Å; L98-H100 PolarHBondContact O-N 3.06Å; L98-V101 PolarHBondContact O-N 3.35Å; L98-V102 VanDerWaalsContact O-CB 3.29Å; L98-V102 WeakPolarHBondContact O-CB 2.95Å; L98-V102 WeakPolarHBondContact O-CG2 3.3Å; L98-V102 PolarHBondContact O-N 3.43Å
99R52.5Low51.7Low192 Ų192108.2 Ų108.273%0.72557%0.572SS**Hα-helixtrans-61.9-42173.3-79.8177.3179.7-1131.3111.8S95 C96 L97 V103S95-R99 WeakPolarHBondContact O-CB 3.1Å; S95-R99 VanDerWaalsContact O-CG 3.31Å; S95-R99 WeakPolarHBondContact O-CG 3.23Å; S95-R99 PolarHBondContact O-N 3.48Å; C96-R99 PolarHBondContact O-N 3.07Å; L97-R99 VanDerWaalsContact C-N 3.34Å; L97-R99 PolarHBondContact O-N 2.88Å; R99-V103 WeakPolarHBondContact O-CB 2.69Å; R99-V103 WeakPolarHBondContact O-CG2 2.81Å; R99-V103 PolarHBondContact O-N 3.44Å
100H50.9Low51.7Low129 Ų129112.1 Ų112.160%0.59758%0.584SS**Hα-helixtrans-66.2-41.4177.1-114.1-78.9000112.7C96 L97 L98 V103 M104C96-H100 PolarHBondContact O-N 3.04Å; L97-H100 PolarHBondContact O-N 3.23Å; L98-H100 PolarHBondContact O-N 3.06Å; H100-V103 PolarHBondContact O-N 3.33Å; H100-M104 WeakPolarHBondContact O-CB 3.31Å; H100-M104 WeakPolarHBondContact O-CG 3.44Å; H100-M104 PolarHBondContact O-N 3.34Å
101V51.4Low51.5Low101 Ų101114.9 Ų114.961%0.61260%0.596SS**Hα-helixtrans-68.6-40.3177.3171.70000111L97 L98 M104 G105L97-V101 WeakPolarHBondContact O-CB 3.48Å; L97-V101 VanDerWaalsContact O-CG2 3.27Å; L97-V101 WeakPolarHBondContact O-CG2 3.4Å; L97-V101 PolarHBondContact O-N 3.06Å; L98-V101 PolarHBondContact O-N 3.35Å; V101-M104 PolarHBondContact O-N 3.34Å; V101-G105 PolarHBondContact O-N 3.11Å
102V54Low51.5Low87 Ų87116.6 Ų116.653%0.52760%0.604SS.*Hα-helixtrans-66.9-38.8174.9170.30000111.2L98 G105 N106L98-V102 VanDerWaalsContact O-CB 3.29Å; L98-V102 WeakPolarHBondContact O-CB 2.95Å; L98-V102 WeakPolarHBondContact O-CG2 3.3Å; L98-V102 PolarHBondContact O-N 3.43Å; V102-G105 PolarHBondContact O-N 3.25Å; V102-N106 WeakPolarHBondContact O-CB 3.09Å; V102-N106 PolarHBondContact O-N 3.13Å
103V49.8Very low51.3Low88 Ų88119.6 Ų119.653%0.53361%0.611SS.*Hα-helixtrans-67.4-39.4175.6169.90000111.4R99 H100R99-V103 WeakPolarHBondContact O-CB 2.69Å; R99-V103 WeakPolarHBondContact O-CG2 2.81Å; R99-V103 PolarHBondContact O-N 3.44Å; H100-V103 PolarHBondContact O-N 3.33Å
104M51Low51.1Low136 Ų136122.1 Ų122.167%0.6762%0.624SS**Hα-helixtrans-73.4-31174.8-71.7-66.5-156.800113.1H100 V101H100-M104 WeakPolarHBondContact O-CB 3.31Å; H100-M104 WeakPolarHBondContact O-CG 3.44Å; H100-M104 PolarHBondContact O-N 3.34Å; V101-M104 PolarHBondContact O-N 3.34Å
105G48.3Very low50.7Low46 Ų46123.9 Ų123.947%0.47463%0.632SS.*Hα-helixtrans-79.2-19.3178.600000114.7V101 V102 W107V101-G105 PolarHBondContact O-N 3.11Å; V102-G105 PolarHBondContact O-N 3.25Å; G105-W107 VanDerWaalsContact C-N 3.32Å
106N46.6Very low50.4Low134 Ų134128.4 Ų128.472%0.71765%0.645SS**THydrogen-bonded Turntrans-89.76.6172-96.2-12.5000113.5V102V102-N106 WeakPolarHBondContact O-CB 3.09Å; V102-N106 PolarHBondContact O-N 3.13Å
107W44.2Very low50.1Low223 Ų223132.6 Ų132.685%0.84566%0.655SS**THydrogen-bonded Turntrans-114.315176.3-84.273.2000113G105G105-W107 VanDerWaalsContact C-N 3.32Å
108F38.8Very low49.4Very low258 Ų258135.6 Ų135.6100%1.13267%0.668SS**  trans-119.90171.8-125.4-83.5000109.9

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