A0A096MLG1_PAPAN Loading...

KIAA0040

AlphaFold DB (H9ZFR0), UniProt , Accession A0A096MLG1, Species PAPAN (Papio anubis, Olive baboon), Gene KIAA0040, Length 98 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
1M60.9Low80.2Confident189 Ų189117.7 Ų117.793%0.93160%0.602SS**  0-52.10-65.2-57.7-95.700111.2R3 I4 S5M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 3.35Å; M1-R3 VanDerWaalsContact O-N 3.1Å; M1-I4 WeakPolarHBondContact O-CB 3.28Å; M1-I4 PolarHBondContact O-N 3.17Å; M1-S5 PolarHBondContact O-N 2.95Å
2E78.2Confident80.3Confident153 Ų153119.9 Ų119.972%0.71560%0.597SS**Hα-helixtrans-56.9-36.2-164.2-55.1116.7114.200115.5I4 S5 A6E2-I4 VanDerWaalsContact C-N 3.28Å; E2-I4 PolarHBondContact O-N 2.97Å; E2-S5 VanDerWaalsContact CA-OG 3.3Å; E2-S5 WeakPolarHBondContact CA-OG 3.28Å; E2-S5 PolarHBondContact O-N 2.67Å; E2-S5 PolarHBondContact O-OG 3.37Å; E2-A6 WeakPolarHBondContact O-CB 3.18Å; E2-A6 PolarHBondContact O-N 2.94Å
3R80.2Confident80.5Confident204 Ų204118.4 Ų118.477%0.7759%0.592SS**Hα-helixtrans-57-41.9176.6-61.8-64.9-179.3169.1-1.3112M1 A6 F7M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 3.35Å; M1-R3 VanDerWaalsContact O-N 3.1Å; R3-A6 PolarHBondContact O-N 3.49Å; R3-F7 HydrophobicContact CB-CE2 4.41Å; R3-F7 WeakPolarHBondContact O-CD2 3.36Å; R3-F7 PolarHBondContact O-N 3.32Å
4I81.1Confident80.5Confident100 Ų100115.6 Ų115.651%0.51359%0.585SS.*Hα-helixtrans-67.9-46.5-177.6-58.3171000109.8M1 E2 A6 F7 F8M1-I4 WeakPolarHBondContact O-CB 3.28Å; M1-I4 PolarHBondContact O-N 3.17Å; E2-I4 VanDerWaalsContact C-N 3.28Å; E2-I4 PolarHBondContact O-N 2.97Å; I4-A6 VanDerWaalsContact C-N 3.35Å; I4-A6 PolarHBondContact O-N 3.19Å; I4-F7 PolarHBondContact O-N 3.43Å; I4-F8 HydrophobicContact CG2-CD2 3.83Å; I4-F8 HydrophobicContact CG2-CE2 3.61Å; I4-F8 VanDerWaalsContact O-CD2 3.23Å; I4-F8 WeakPolarHBondContact O-CD2 3.48Å; I4-F8 PolarHBondContact O-N 3.39Å
5S80.3Confident80.4Confident65 Ų65110.1 Ų110.146%0.45556%0.557SS.*Hα-helixtrans-62.1-39.8174.440.40000112.4M1 E2 F7 F8 S9M1-S5 PolarHBondContact O-N 2.95Å; E2-S5 VanDerWaalsContact CA-OG 3.3Å; E2-S5 WeakPolarHBondContact CA-OG 3.28Å; E2-S5 PolarHBondContact O-N 2.67Å; E2-S5 PolarHBondContact O-OG 3.37Å; S5-F7 PolarHBondContact O-N 2.68Å; S5-F8 PolarHBondContact O-N 2.84Å; S5-S9 PolarHBondContact O-N 3.49Å; S5-S9 PolarHBondContact O-OG 3.19Å
6A83.8Confident80.2Confident53 Ų53108.3 Ų108.344%0.43855%0.549SS..Hα-helixtrans-62.2-43.8176.900000112.1E2 R3 I4 S9 S10E2-A6 WeakPolarHBondContact O-CB 3.18Å; E2-A6 PolarHBondContact O-N 2.94Å; R3-A6 PolarHBondContact O-N 3.49Å; I4-A6 VanDerWaalsContact C-N 3.35Å; I4-A6 PolarHBondContact O-N 3.19Å; A6-S9 PolarHBondContact O-N 2.9Å; A6-S10 PolarHBondContact O-N 2.97Å; A6-S10 PolarHBondContact O-OG 3.47Å
7F84.6Confident80.1Confident142 Ų142105.6 Ų105.662%0.62354%0.539SS*.Hα-helixtrans-60.6-45.2173.4-70.4-57.5000112R3 I4 S5 S9 S10 I11R3-F7 HydrophobicContact CB-CE2 4.41Å; R3-F7 WeakPolarHBondContact O-CD2 3.36Å; R3-F7 PolarHBondContact O-N 3.32Å; I4-F7 PolarHBondContact O-N 3.43Å; S5-F7 PolarHBondContact O-N 2.68Å; F7-S9 PolarHBondContact O-N 3.2Å; F7-S10 PolarHBondContact O-N 3.36Å; F7-I11 WeakPolarHBondContact O-CB 3.34Å; F7-I11 WeakPolarHBondContact O-CD1 3.37Å; F7-I11 VanDerWaalsContact O-CG1 3.23Å; F7-I11 WeakPolarHBondContact O-CG1 3.38Å; F7-I11 PolarHBondContact O-N 2.9Å
8F82.8Confident79.7Confident141 Ų141103.9 Ų103.962%0.61853%0.527SS*.Hα-helixtrans-62.4-39.7176.3-79.9-62.8000112.7I4 S5 I11 W12I4-F8 HydrophobicContact CG2-CD2 3.83Å; I4-F8 HydrophobicContact CG2-CE2 3.61Å; I4-F8 VanDerWaalsContact O-CD2 3.23Å; I4-F8 WeakPolarHBondContact O-CD2 3.48Å; I4-F8 PolarHBondContact O-N 3.39Å; S5-F8 PolarHBondContact O-N 2.84Å; F8-I11 PolarHBondContact O-N 3.21Å; F8-W12 VanDerWaalsContact O-CB 3.26Å; F8-W12 WeakPolarHBondContact O-CB 3.26Å; F8-W12 PolarHBondContact O-N 3.11Å
9S82.6Confident79.3Confident79 Ų79101.5 Ų101.555%0.55251%0.514SS*.Hα-helixtrans-62.5-45.9174.3-64.80000112.4S5 A6 F7 I11 W12 D13S5-S9 PolarHBondContact O-N 3.49Å; S5-S9 PolarHBondContact O-OG 3.19Å; A6-S9 PolarHBondContact O-N 2.9Å; F7-S9 PolarHBondContact O-N 3.2Å; S9-I11 PolarHBondContact O-N 2.85Å; S9-W12 PolarHBondContact O-N 3.07Å; S9-D13 WeakPolarHBondContact O-CB 3.44Å; S9-D13 PolarHBondContact O-N 2.83Å
10S84.1Confident78.8Confident75 Ų75103.6 Ų103.652%0.52452%0.522SS..Hα-helixtrans-65.3-38177.2-60.40000112.9A6 F7 T14A6-S10 PolarHBondContact O-N 2.97Å; A6-S10 PolarHBondContact O-OG 3.47Å; F7-S10 PolarHBondContact O-N 3.36Å; S10-T14 WeakPolarHBondContact O-CB 3.23Å; S10-T14 PolarHBondContact O-N 3.27Å; S10-T14 PolarHBondContact O-OG1 2.96Å
11I83.7Confident78.6Confident94 Ų94103.7 Ų103.748%0.48252%0.52SS..Hα-helixtrans-65.4-42.9174.2-69.3164000110.2F7 F8 S9 T14 I15F7-I11 WeakPolarHBondContact O-CB 3.34Å; F7-I11 WeakPolarHBondContact O-CD1 3.37Å; F7-I11 VanDerWaalsContact O-CG1 3.23Å; F7-I11 WeakPolarHBondContact O-CG1 3.38Å; F7-I11 PolarHBondContact O-N 2.9Å; F8-I11 PolarHBondContact O-N 3.21Å; S9-I11 PolarHBondContact O-N 2.85Å; I11-T14 PolarHBondContact O-N 3.4Å; I11-I15 HydrophobicContact CG2-CD1 3.91Å; I11-I15 VanDerWaalsContact O-CB 3.26Å; I11-I15 WeakPolarHBondContact O-CB 3.46Å; I11-I15 WeakPolarHBondContact O-CG1 3.19Å; I11-I15 PolarHBondContact O-N 3.28Å
12W81.2Confident78.9Confident144 Ų14497.6 Ų97.655%0.54551%0.506SS..Hα-helixtrans-64.2-41.9177.9-172.5-88.5000112.8F8 S9 I15 L16 L33F8-W12 VanDerWaalsContact O-CB 3.26Å; F8-W12 WeakPolarHBondContact O-CB 3.26Å; F8-W12 PolarHBondContact O-N 3.11Å; S9-W12 PolarHBondContact O-N 3.07Å; W12-I15 WeakPolarHBondContact O-CB 3.39Å; W12-I15 PolarHBondContact O-N 3.48Å; W12-L16 WeakPolarHBondContact O-CB 3.4Å; W12-L16 PolarHBondContact O-N 2.99Å; W12-L33 HydrophobicContact CE3-CD1 4.36Å; W12-L33 HydrophobicContact CH2-CD1 4Å; W12-L33 HydrophobicContact CZ3-CD1 3.51Å; W12-L33 HydrophobicContact CZ3-CD2 4.23Å
13D83.1Confident78.2Confident100 Ų10095.2 Ų95.254%0.53550%0.497SS..Hα-helixtrans-67.1-42.3177.5-167.3-96.2000111.8S9 I15 L16 T17S9-D13 WeakPolarHBondContact O-CB 3.44Å; S9-D13 PolarHBondContact O-N 2.83Å; D13-I15 VanDerWaalsContact C-N 3.29Å; D13-I15 PolarHBondContact O-N 2.94Å; D13-L16 PolarHBondContact O-N 3.28Å; D13-T17 WeakPolarHBondContact O-CG2 3.45Å; D13-T17 PolarHBondContact O-N 2.9Å; D13-T17 PolarHBondContact O-OG1 2.74Å
14T80.8Confident77.4Confident80 Ų8091.3 Ų91.349%0.49148%0.483SS..Hα-helixtrans-60-40.4171.3-53.80000111.4S10 I11 T17 K18S10-T14 WeakPolarHBondContact O-CB 3.23Å; S10-T14 PolarHBondContact O-N 3.27Å; S10-T14 PolarHBondContact O-OG1 2.96Å; I11-T14 PolarHBondContact O-N 3.4Å; T14-T17 WeakPolarHBondContact CA-OG1 3.4Å; T14-T17 PolarHBondContact O-OG1 3.03Å; T14-T17 VanDerWaalsContact O-OG1 3.07Å; T14-K18 WeakPolarHBondContact O-CB 3.42Å; T14-K18 WeakPolarHBondContact O-CG 3.41Å; T14-K18 PolarHBondContact O-N 3.3Å; T14-K18 VanDerWaalsContact O-N 3.11Å
15I78.3Confident76.9Confident32 Ų3291.5 Ų91.516%0.16449%0.485CS..Hα-helixtrans-63.3-45.4175.1-90.7170.4000111.5I11 W12 D13 H19 L29I11-I15 HydrophobicContact CG2-CD1 3.91Å; I11-I15 VanDerWaalsContact O-CB 3.26Å; I11-I15 WeakPolarHBondContact O-CB 3.46Å; I11-I15 WeakPolarHBondContact O-CG1 3.19Å; I11-I15 PolarHBondContact O-N 3.28Å; W12-I15 WeakPolarHBondContact O-CB 3.39Å; W12-I15 PolarHBondContact O-N 3.48Å; D13-I15 VanDerWaalsContact C-N 3.29Å; D13-I15 PolarHBondContact O-N 2.94Å; I15-H19 WeakPolarHBondContact O-CB 3.28Å; I15-H19 PolarHBondContact O-N 3.06Å; I15-L29 HydrophobicContact CB-CD1 4.34Å; I15-L29 HydrophobicContact CD1-CD1 4.06Å; I15-L29 HydrophobicContact CG1-CD1 4.11Å; I15-L29 HydrophobicContact CG2-CD1 3.39Å; I15-L29 HydrophobicContact CG2-CD2 3.51Å; I15-L29 HydrophobicContact CG2-CG 4.06Å
16L78.3Confident76.4Confident82 Ų8292.3 Ų92.343%0.42949%0.487SS..Hα-helixtrans-70.9-42.7-175.6-176.362.3000111.3W12 D13 H19 Q20W12-L16 WeakPolarHBondContact O-CB 3.4Å; W12-L16 PolarHBondContact O-N 2.99Å; D13-L16 PolarHBondContact O-N 3.28Å; L16-H19 WeakPolarHBondContact O-CB 3.16Å; L16-H19 PolarHBondContact O-N 3.14Å; L16-Q20 WeakPolarHBondContact O-CG 3.44Å; L16-Q20 PolarHBondContact O-N 2.92Å
17T77Confident76Confident62 Ų6295.5 Ų95.538%0.3850%0.496SS..Hα-helixtrans-62.5-44.5174.148.40000111.7D13 T14 H19 Q20 E21D13-T17 WeakPolarHBondContact O-CG2 3.45Å; D13-T17 PolarHBondContact O-N 2.9Å; D13-T17 PolarHBondContact O-OG1 2.74Å; T14-T17 WeakPolarHBondContact CA-OG1 3.4Å; T14-T17 PolarHBondContact O-OG1 3.03Å; T14-T17 VanDerWaalsContact O-OG1 3.07Å; T17-H19 VanDerWaalsContact C-N 3.28Å; T17-H19 PolarHBondContact O-N 3.42Å; T17-Q20 PolarHBondContact O-N 3.37Å; T17-E21 WeakPolarHBondContact O-CG 2.69Å; T17-E21 PolarHBondContact O-N 2.84Å
18K73Confident75.6Confident75 Ų7591.8 Ų91.833%0.32649%0.486SS..Hα-helixtrans-71.2-18.6176.2-62.2-64.7164.6-152.20114.6T14 E21 I23 Y24T14-K18 WeakPolarHBondContact O-CB 3.42Å; T14-K18 WeakPolarHBondContact O-CG 3.41Å; T14-K18 PolarHBondContact O-N 3.3Å; T14-K18 VanDerWaalsContact O-N 3.11Å; K18-E21 VanDerWaalsContact CD-OE2 3.28Å; K18-E21 WeakPolarHBondContact CD-OE2 3.14Å; K18-E21 IonicContact NZ-OE1 3.95Å; K18-E21 PolarHBondContact NZ-OE1 1.91Å; K18-E21 IonicContact NZ-OE2 2.68Å; K18-E21 PolarHBondContact NZ-OE2 2.87Å; K18-I23 HydrophobicContact CD-CD1 4.19Å; K18-I23 PolarHBondContact O-N 3.26Å; K18-Y24 HydrophobicContact CB-CD2 3.92Å; K18-Y24 HydrophobicContact CB-CE2 4Å
19H73.6Confident75.3Confident58 Ų5886.5 Ų86.527%0.26946%0.464SS..Hα-helixtrans-75.3-44166.9177-94.7000111.6I15 L16 T17 E21 G22 Y24 T26 L29I15-H19 WeakPolarHBondContact O-CB 3.28Å; I15-H19 PolarHBondContact O-N 3.06Å; L16-H19 WeakPolarHBondContact O-CB 3.16Å; L16-H19 PolarHBondContact O-N 3.14Å; T17-H19 VanDerWaalsContact C-N 3.28Å; T17-H19 PolarHBondContact O-N 3.42Å; H19-E21 VanDerWaalsContact C-N 3.31Å; H19-E21 PolarHBondContact O-N 2.91Å; H19-G22 PolarHBondContact O-N 3.28Å; H19-Y24 PolarHBondContact CD2-O 3.49Å; H19-T26 WeakPolarHBondContact NE2-CA 3.43Å; H19-T26 WeakPolarHBondContact NE2-CB 3.34Å; H19-T26 WeakPolarHBondContact NE2-CG2 3.37Å; H19-T26 PolarHBondContact NE2-N 2.98Å; H19-T26 PolarHBondContact NE2-OG1 2.88Å; H19-L29 HydrophobicContact CB-CD2 4.39Å
20Q68.8Low75.1Confident144 Ų14484.8 Ų84.867%0.67346%0.46SS*.Hα-helixtrans-65.3-31.1175.3-67.1-61.8-66.700113.1L16 T17 G22L16-Q20 WeakPolarHBondContact O-CG 3.44Å; L16-Q20 PolarHBondContact O-N 2.92Å; T17-Q20 PolarHBondContact O-N 3.37Å; Q20-G22 PolarHBondContact O-N 3.06Å
21E73.3Confident75.1Confident106 Ų10685.4 Ų85.450%0.49546%0.46SS..THydrogen-bonded Turntrans-68-3.2169.4-72.7175.4-154.400113.8T17 K18 H19 I23T17-E21 WeakPolarHBondContact O-CG 2.69Å; T17-E21 PolarHBondContact O-N 2.84Å; K18-E21 VanDerWaalsContact CD-OE2 3.28Å; K18-E21 WeakPolarHBondContact CD-OE2 3.14Å; K18-E21 IonicContact NZ-OE1 3.95Å; K18-E21 PolarHBondContact NZ-OE1 1.91Å; K18-E21 IonicContact NZ-OE2 2.68Å; K18-E21 PolarHBondContact NZ-OE2 2.87Å; H19-E21 VanDerWaalsContact C-N 3.31Å; H19-E21 PolarHBondContact O-N 2.91Å; E21-I23 HydrophobicContact CB-CD1 4.08Å; E21-I23 HydrophobicContact CB-CG1 4.09Å; E21-I23 PolarHBondContact O-N 3.45Å; E21-I23 VanDerWaalsContact O-N 3.17Å; E21-I23 VanDerWaalsContact OE2-CD1 3.28Å; E21-I23 WeakPolarHBondContact OE2-CD1 2.88Å
22G67.3Low75.1Confident60 Ų6086.5 Ų86.562%0.61947%0.466SS*.THydrogen-bonded Turntrans74.4-1.9177.700000115.4H19 Q20 Y24H19-G22 PolarHBondContact O-N 3.28Å; Q20-G22 PolarHBondContact O-N 3.06Å; G22-Y24 VanDerWaalsContact C-N 3.27Å; G22-Y24 PolarHBondContact O-N 2.93Å
23I65.3Low75.1Confident104 Ų10482.8 Ų82.853%0.53346%0.457SS..SBendtrans-64.3-33.2-177.7-60.1175.1000111.3K18 E21K18-I23 HydrophobicContact CD-CD1 4.19Å; K18-I23 PolarHBondContact O-N 3.26Å; E21-I23 HydrophobicContact CB-CD1 4.08Å; E21-I23 HydrophobicContact CB-CG1 4.09Å; E21-I23 PolarHBondContact O-N 3.45Å; E21-I23 VanDerWaalsContact O-N 3.17Å; E21-I23 VanDerWaalsContact OE2-CD1 3.28Å; E21-I23 WeakPolarHBondContact OE2-CD1 2.88Å
24Y63.4Low75.2Confident122 Ų12279.4 Ų79.448%0.47845%0.446SS..SBendtrans-117.4115.7176.1-62.3-80000110.9K18 H19 G22 T26K18-Y24 HydrophobicContact CB-CD2 3.92Å; K18-Y24 HydrophobicContact CB-CE2 4Å; H19-Y24 PolarHBondContact CD2-O 3.49Å; G22-Y24 VanDerWaalsContact C-N 3.27Å; G22-Y24 PolarHBondContact O-N 2.93Å; Y24-T26 PolarHBondContact O-N 3.46Å
25N69.7Low75.3Confident103 Ų10380.8 Ų80.855%0.55145%0.45SS*.  trans-57138.4165-178.4-8000109.4I27 C28 L29N25-I27 PolarHBondContact O-N 3.31Å; N25-I27 PolarHBondContact OD1-N 3.34Å; N25-C28 WeakPolarHBondContact O-CB 3.26Å; N25-C28 PolarHBondContact O-N 3.24Å; N25-L29 PolarHBondContact O-N 2.99Å
26T69.9Low75.7Confident82 Ų8282.6 Ų82.650%0.50346%0.463SS..Hα-helixtrans-47.9-33.8179.6-34.40000113H19 Y24 G30H19-T26 WeakPolarHBondContact NE2-CA 3.43Å; H19-T26 WeakPolarHBondContact NE2-CB 3.34Å; H19-T26 WeakPolarHBondContact NE2-CG2 3.37Å; H19-T26 PolarHBondContact NE2-N 2.98Å; H19-T26 PolarHBondContact NE2-OG1 2.88Å; Y24-T26 PolarHBondContact O-N 3.46Å; T26-G30 PolarHBondContact O-N 3.33Å
27I76.3Confident76.2Confident121 Ų12183.7 Ų83.762%0.62147%0.469SS*.Hα-helixtrans-62.7-44.9176.1-56.9175.9000111.6N25 L29 G30 V31N25-I27 PolarHBondContact O-N 3.31Å; N25-I27 PolarHBondContact OD1-N 3.34Å; I27-L29 PolarHBondContact O-N 2.9Å; I27-G30 PolarHBondContact O-N 3.05Å; I27-V31 WeakPolarHBondContact O-CG2 3.43Å; I27-V31 PolarHBondContact O-N 3.38Å
28C75.4Confident76.7Confident63 Ų6385.8 Ų85.843%0.42648%0.477SS..Hα-helixtrans-63.1-43.7-179.7-174.40000111N25 V31 L32N25-C28 WeakPolarHBondContact O-CB 3.26Å; N25-C28 PolarHBondContact O-N 3.24Å; C28-V31 PolarHBondContact O-N 3.4Å; C28-L32 PolarHBondContact O-N 2.98Å
29L76.1Confident77.6Confident30 Ų3085.6 Ų85.616%0.15748%0.482CS..Hα-helixtrans-65-43175.1177.157.9000112.4I15 H19 N25 I27 V31 L32 L33I15-L29 HydrophobicContact CB-CD1 4.34Å; I15-L29 HydrophobicContact CD1-CD1 4.06Å; I15-L29 HydrophobicContact CG1-CD1 4.11Å; I15-L29 HydrophobicContact CG2-CD1 3.39Å; I15-L29 HydrophobicContact CG2-CD2 3.51Å; I15-L29 HydrophobicContact CG2-CG 4.06Å; H19-L29 HydrophobicContact CB-CD2 4.39Å; N25-L29 PolarHBondContact O-N 2.99Å; I27-L29 PolarHBondContact O-N 2.9Å; L29-V31 VanDerWaalsContact C-N 3.27Å; L29-V31 PolarHBondContact O-N 3.43Å; L29-L32 PolarHBondContact O-N 3.36Å; L29-L32 VanDerWaalsContact O-N 3.14Å; L29-L33 HydrophobicContact CD1-CD1 3.65Å; L29-L33 HydrophobicContact CD1-CG 4.07Å; L29-L33 HydrophobicContact CG-CD1 3.99Å; L29-L33 PolarHBondContact O-N 3.18Å
30G79.3Confident78.4Confident44 Ų4487.4 Ų87.445%0.45449%0.493SS..Hα-helixtrans-59.2-36.6174.900000112.7T26 I27 G34T26-G30 PolarHBondContact O-N 3.33Å; I27-G30 PolarHBondContact O-N 3.05Å; G30-G34 VanDerWaalsContact O-CA 3.28Å; G30-G34 WeakPolarHBondContact O-CA 3.44Å; G30-G34 PolarHBondContact O-N 2.84Å
31V83.8Confident79.4Confident87 Ų8785.2 Ų85.253%0.52749%0.485SS..Hα-helixtrans-68.9-45.7171.5171.10000111.3I27 C28 L29 L33 G34 L35I27-V31 WeakPolarHBondContact O-CG2 3.43Å; I27-V31 PolarHBondContact O-N 3.38Å; C28-V31 PolarHBondContact O-N 3.4Å; L29-V31 VanDerWaalsContact C-N 3.27Å; L29-V31 PolarHBondContact O-N 3.43Å; V31-L33 VanDerWaalsContact C-N 3.28Å; V31-L33 PolarHBondContact O-N 3.5Å; V31-G34 PolarHBondContact O-N 3.4Å; V31-L35 WeakPolarHBondContact O-CB 2.98Å; V31-L35 PolarHBondContact O-N 3.47Å
32L82.9Confident80.1Confident118 Ų11883.3 Ų83.362%0.61848%0.481SS*.Hα-helixtrans-59.3-37.4-177.1-148.183.6000113C28 L29 P36C28-L32 PolarHBondContact O-N 2.98Å; L29-L32 PolarHBondContact O-N 3.36Å; L29-L32 VanDerWaalsContact O-N 3.14Å; L32-P36 WeakPolarHBondContact O-CD 3.3Å; L32-P36 WeakPolarHBondContact O-CG 3.39Å
33L80.9Confident81Confident65 Ų6585.5 Ų85.534%0.3448%0.477SS..Hα-helixtrans-89.8-39.8178.2-67.1165.7000112.7W12 L29 V31 P36W12-L33 HydrophobicContact CE3-CD1 4.36Å; W12-L33 HydrophobicContact CH2-CD1 4Å; W12-L33 HydrophobicContact CZ3-CD1 3.51Å; W12-L33 HydrophobicContact CZ3-CD2 4.23Å; L29-L33 HydrophobicContact CD1-CD1 3.65Å; L29-L33 HydrophobicContact CD1-CG 4.07Å; L29-L33 HydrophobicContact CG-CD1 3.99Å; L29-L33 PolarHBondContact O-N 3.18Å; V31-L33 VanDerWaalsContact C-N 3.28Å; V31-L33 PolarHBondContact O-N 3.5Å; L33-P36 WeakPolarHBondContact O-CD 3.44Å; L33-P36 WeakPolarHBondContact O-CG 3.21Å
34G85.8Confident82.1Confident30 Ų3085.5 Ų85.531%0.30948%0.478SS..Hα-helixtrans-73.3-34.9-175.600000113.6G30 V31 L37 L38G30-G34 VanDerWaalsContact O-CA 3.28Å; G30-G34 WeakPolarHBondContact O-CA 3.44Å; G30-G34 PolarHBondContact O-N 2.84Å; V31-G34 PolarHBondContact O-N 3.4Å; G34-L37 PolarHBondContact O-N 2.82Å; G34-L38 WeakPolarHBondContact O-CB 3.23Å; G34-L38 PolarHBondContact O-N 3.49Å
35L82.6Confident83.1Confident109 Ų10986.3 Ų86.357%0.57148%0.484SS*.Hα-helixtrans-62-52.4179.7-172.369.2000113.2V31 L37 L38 V39V31-L35 WeakPolarHBondContact O-CB 2.98Å; V31-L35 PolarHBondContact O-N 3.47Å; L35-L37 VanDerWaalsContact C-N 3.32Å; L35-L37 PolarHBondContact O-N 3.35Å; L35-L38 PolarHBondContact O-N 3.35Å; L35-V39 WeakPolarHBondContact O-CG2 3.3Å; L35-V39 PolarHBondContact O-N 3.1Å
36P87.9Confident83.7Confident69 Ų6987.1 Ų87.145%0.44849%0.486SS..Hα-helixtrans-64.8-35176.225-33.9000112.4L32 L33 V39 I40L32-P36 WeakPolarHBondContact O-CD 3.3Å; L32-P36 WeakPolarHBondContact O-CG 3.39Å; L33-P36 WeakPolarHBondContact O-CD 3.44Å; L33-P36 WeakPolarHBondContact O-CG 3.21Å; P36-V39 PolarHBondContact O-N 2.9Å; P36-I40 VanDerWaalsContact O-CG1 3.3Å; P36-I40 WeakPolarHBondContact O-CG1 3.41Å; P36-I40 PolarHBondContact O-N 2.89Å
37L87.6Confident84.2Confident106 Ų10686.9 Ų86.956%0.55549%0.487SS*.Hα-helixtrans-62.9-45.2175.4-166.976.4000111.4G34 L35 I40 I41G34-L37 PolarHBondContact O-N 2.82Å; L35-L37 VanDerWaalsContact C-N 3.32Å; L35-L37 PolarHBondContact O-N 3.35Å; L37-I40 PolarHBondContact O-N 3.4Å; L37-I41 HydrophobicContact CD2-CD1 4.34Å; L37-I41 HydrophobicContact CG-CD1 3.99Å; L37-I41 VanDerWaalsContact O-CG1 3.29Å; L37-I41 WeakPolarHBondContact O-CG1 3.31Å; L37-I41 PolarHBondContact O-N 2.91Å
38L88.7Confident84.3Confident105 Ų10583.8 Ų83.855%0.5548%0.475SS..Hα-helixtrans-64.7-38.7177.6-173.2152.3000111.7G34 L35 I41 T42G34-L38 WeakPolarHBondContact O-CB 3.23Å; G34-L38 PolarHBondContact O-N 3.49Å; L35-L38 PolarHBondContact O-N 3.35Å; L38-I41 PolarHBondContact O-N 2.96Å; L38-T42 VanDerWaalsContact O-CB 3.31Å; L38-T42 WeakPolarHBondContact O-CB 3.32Å; L38-T42 PolarHBondContact O-N 2.88Å; L38-T42 PolarHBondContact O-OG1 2.89Å
39V91.8Very high84.3Confident71 Ų7185.4 Ų85.443%0.4348%0.477SS..Hα-helixtrans-60.9-47.2171.6170.20000111L35 P36 I41 T42 L43L35-V39 WeakPolarHBondContact O-CG2 3.3Å; L35-V39 PolarHBondContact O-N 3.1Å; P36-V39 PolarHBondContact O-N 2.9Å; V39-I41 PolarHBondContact O-N 2.69Å; V39-T42 PolarHBondContact O-N 3.44Å; V39-L43 HydrophobicContact CG1-CD1 3.92Å; V39-L43 HydrophobicContact CG1-CG 4.44Å; V39-L43 WeakPolarHBondContact O-CB 3.33Å; V39-L43 VanDerWaalsContact O-CG 3.32Å; V39-L43 WeakPolarHBondContact O-CG 3.48Å; V39-L43 PolarHBondContact O-N 2.89Å
40I90.5Very high83.7Confident97 Ų9788.3 Ų88.350%0.49750%0.498SS..Hα-helixtrans-61.4-46177.6-68162.8000111P36 L37 T42 L43 L44P36-I40 VanDerWaalsContact O-CG1 3.3Å; P36-I40 WeakPolarHBondContact O-CG1 3.41Å; P36-I40 PolarHBondContact O-N 2.89Å; L37-I40 PolarHBondContact O-N 3.4Å; I40-T42 VanDerWaalsContact C-N 3.33Å; I40-T42 PolarHBondContact O-N 3.27Å; I40-L43 PolarHBondContact O-N 3.24Å; I40-L44 HydrophobicContact CG2-CD1 4.01Å; I40-L44 HydrophobicContact CG2-CG 4.44Å; I40-L44 WeakPolarHBondContact O-CB 3.34Å; I40-L44 WeakPolarHBondContact O-CG 3.4Å; I40-L44 PolarHBondContact O-N 3.33Å
41I89Confident83.1Confident98 Ų9891.6 Ų91.650%0.50351%0.513SS..Hα-helixtrans-61.2-41.7177.2-69164.6000111L37 L38 V39 L44 F45L37-I41 HydrophobicContact CD2-CD1 4.34Å; L37-I41 HydrophobicContact CG-CD1 3.99Å; L37-I41 VanDerWaalsContact O-CG1 3.29Å; L37-I41 WeakPolarHBondContact O-CG1 3.31Å; L37-I41 PolarHBondContact O-N 2.91Å; L38-I41 PolarHBondContact O-N 2.96Å; V39-I41 PolarHBondContact O-N 2.69Å; I41-L44 PolarHBondContact O-N 3.32Å; I41-F45 WeakPolarHBondContact O-CB 3.35Å; I41-F45 PolarHBondContact O-N 2.87Å
42T88.1Confident81.9Confident66 Ų6697.6 Ų97.641%0.40553%0.527SS..Hα-helixtrans-66.5-41.5178.7-55.40000111.5L38 V39 I40 F45 M46L38-T42 VanDerWaalsContact O-CB 3.31Å; L38-T42 WeakPolarHBondContact O-CB 3.32Å; L38-T42 PolarHBondContact O-N 2.88Å; L38-T42 PolarHBondContact O-OG1 2.89Å; V39-T42 PolarHBondContact O-N 3.44Å; I40-T42 VanDerWaalsContact C-N 3.33Å; I40-T42 PolarHBondContact O-N 3.27Å; T42-F45 PolarHBondContact O-N 3.46Å; T42-M46 WeakPolarHBondContact O-CB 3.49Å; T42-M46 WeakPolarHBondContact O-CG 3.4Å; T42-M46 PolarHBondContact O-N 3.49Å
43L86.5Confident80.6Confident105 Ų10594.2 Ų94.255%0.5551%0.512SS..Hα-helixtrans-64.3-44.2174.7-72169.9000111.6V39 I40 M46 C47V39-L43 HydrophobicContact CG1-CD1 3.92Å; V39-L43 HydrophobicContact CG1-CG 4.44Å; V39-L43 WeakPolarHBondContact O-CB 3.33Å; V39-L43 VanDerWaalsContact O-CG 3.32Å; V39-L43 WeakPolarHBondContact O-CG 3.48Å; V39-L43 PolarHBondContact O-N 2.89Å; I40-L43 PolarHBondContact O-N 3.24Å; L43-M46 PolarHBondContact O-N 2.87Å; L43-C47 VanDerWaalsContact O-CB 3.29Å; L43-C47 WeakPolarHBondContact O-CB 3.29Å; L43-C47 PolarHBondContact O-N 2.87Å; L43-C47 PolarHBondContact O-SG 2.85Å
44L87.4Confident79.6Confident104 Ų10496.3 Ų96.355%0.54553%0.53SS..Hα-helixtrans-61-44.7174.6-72.3172000111.4I40 I41 C47 C48I40-L44 HydrophobicContact CG2-CD1 4.01Å; I40-L44 HydrophobicContact CG2-CG 4.44Å; I40-L44 WeakPolarHBondContact O-CB 3.34Å; I40-L44 WeakPolarHBondContact O-CG 3.4Å; I40-L44 PolarHBondContact O-N 3.33Å; I41-L44 PolarHBondContact O-N 3.32Å; L44-C47 PolarHBondContact O-N 3.31Å; L44-C48 VanDerWaalsContact O-CB 3.23Å; L44-C48 WeakPolarHBondContact O-CB 3.29Å; L44-C48 PolarHBondContact O-N 3.27Å; L44-C48 PolarHBondContact O-SG 3.47Å
45F85.8Confident77.9Confident140 Ų140101.9 Ų101.961%0.61456%0.561SS**Hα-helixtrans-63.9-45178.1-170.9-95.4000112.1I41 T42 H49I41-F45 WeakPolarHBondContact O-CB 3.35Å; I41-F45 PolarHBondContact O-N 2.87Å; T42-F45 PolarHBondContact O-N 3.46Å; F45-H49 VanDerWaalsContact O-CB 3.23Å; F45-H49 WeakPolarHBondContact O-CB 3.23Å; F45-H49 PolarHBondContact O-N 3.38Å
46M82.3Confident76.5Confident119 Ų11999.5 Ų99.559%0.58656%0.562SS**Hα-helixtrans-61.2-49.2175.3-76.8-67.7-163.400111.8T42 L43 H49 C50T42-M46 WeakPolarHBondContact O-CB 3.49Å; T42-M46 WeakPolarHBondContact O-CG 3.4Å; T42-M46 PolarHBondContact O-N 3.49Å; L43-M46 PolarHBondContact O-N 2.87Å; M46-H49 PolarHBondContact O-N 3.43Å; M46-C50 WeakPolarHBondContact O-CB 3.45Å; M46-C50 PolarHBondContact O-N 2.85Å; M46-C50 PolarHBondContact O-SG 2.86Å
47C79.1Confident74.7Confident78 Ų78106.4 Ų106.453%0.52759%0.585SS.*Hα-helixtrans-61.2-47.4177.8-740000111.8L43 L44 C50 C51L43-C47 VanDerWaalsContact O-CB 3.29Å; L43-C47 WeakPolarHBondContact O-CB 3.29Å; L43-C47 PolarHBondContact O-N 2.87Å; L43-C47 PolarHBondContact O-SG 2.85Å; L44-C47 PolarHBondContact O-N 3.31Å; C47-C50 PolarHBondContact O-N 2.69Å; C47-C51 WeakPolarHBondContact O-CB 3.4Å; C47-C51 PolarHBondContact O-N 3.31Å; C47-C51 PolarHBondContact O-SG 3.5Å
48C78.1Confident72.8Confident55 Ų55112.3 Ų112.337%0.37260%0.6SS.*Hα-helixtrans-64-41.2177.7-71.70000112.1L44 C50 C51 W52L44-C48 VanDerWaalsContact O-CB 3.23Å; L44-C48 WeakPolarHBondContact O-CB 3.29Å; L44-C48 PolarHBondContact O-N 3.27Å; L44-C48 PolarHBondContact O-SG 3.47Å; C48-C50 PolarHBondContact O-N 2.82Å; C48-C51 PolarHBondContact O-N 3.27Å; C48-W52 HydrophobicContact CB-CE3 4.02Å; C48-W52 HydrophobicContact CB-CZ3 4.03Å; C48-W52 WeakPolarHBondContact O-CB 3.23Å; C48-W52 PolarHBondContact O-N 3.06Å
49H75.9Confident70.8Confident98 Ų98110.9 Ų110.945%0.45461%0.611SS.*Hα-helixtrans-65.8-36.9175.2-171.2-57000111.9F45 M46 S53F45-H49 VanDerWaalsContact O-CB 3.23Å; F45-H49 WeakPolarHBondContact O-CB 3.23Å; F45-H49 PolarHBondContact O-N 3.38Å; M46-H49 PolarHBondContact O-N 3.43Å; H49-S53 WeakPolarHBondContact O-CB 3.39Å; H49-S53 PolarHBondContact O-N 3.4Å; H49-S53 PolarHBondContact O-OG 3.3Å
50C63.3Low68.4Low90 Ų90116.4 Ų116.461%0.60863%0.632SS**Hα-helixtrans-67.7-38.7173.4-750000112.3M46 C47 C48M46-C50 WeakPolarHBondContact O-CB 3.45Å; M46-C50 PolarHBondContact O-N 2.85Å; M46-C50 PolarHBondContact O-SG 2.86Å; C47-C50 PolarHBondContact O-N 2.69Å; C48-C50 PolarHBondContact O-N 2.82Å
51C67.7Low66.2Low114 Ų114120.5 Ų120.577%0.7765%0.649SS**Hα-helixtrans-76.2-32.1178.4-70.10000113.7C47 C48C47-C51 WeakPolarHBondContact O-CB 3.4Å; C47-C51 PolarHBondContact O-N 3.31Å; C47-C51 PolarHBondContact O-SG 3.5Å; C48-C51 PolarHBondContact O-N 3.27Å
52W58.2Low64.4Low213 Ų213120.7 Ų120.781%0.80766%0.657SS**Hα-helixtrans-82-14.4173.2-93.5-51.3000113.8C48 P54C48-W52 HydrophobicContact CB-CE3 4.02Å; C48-W52 HydrophobicContact CB-CZ3 4.03Å; C48-W52 WeakPolarHBondContact O-CB 3.23Å; C48-W52 PolarHBondContact O-N 3.06Å; W52-P54 VanDerWaalsContact O-CD 3.23Å; W52-P54 WeakPolarHBondContact O-CD 3.23Å
53S56.5Low62.6Low46 Ų46124.2 Ų124.232%0.32267%0.669SS.*SBendtrans-63.9116.8169.9-67.80000109.3H49H49-S53 WeakPolarHBondContact O-CB 3.39Å; H49-S53 PolarHBondContact O-N 3.4Å; H49-S53 PolarHBondContact O-OG 3.3Å
54P59.1Low60.6Low109 Ų109127.2 Ų127.271%0.70868%0.677SS**  trans-58.5140.3175.2-21.733.8000109.5W52 G56W52-P54 VanDerWaalsContact O-CD 3.23Å; W52-P54 WeakPolarHBondContact O-CD 3.23Å; P54-G56 VanDerWaalsContact C-N 3.31Å; P54-G56 PolarHBondContact O-N 2.65Å
55P50.9Low58.5Low147 Ų147129.9 Ų129.996%0.95569%0.692SS**SBendtrans-68.585.2-173.325.8-34.6000112
56G51.7Low56.5Low59 Ų59131.6 Ų131.661%0.60870%0.699SS**  trans-172.5128.6-179.200000112.7P54P54-G56 VanDerWaalsContact C-N 3.31Å; P54-G56 PolarHBondContact O-N 2.65Å
57K51.2Low54.8Low214 Ų214132.8 Ų132.893%0.9370%0.701SS**SBendtrans79.142.5171.4-47-179.3-178-179.80118.2
58R47.2Very low53.3Low230 Ų230138.3 Ų138.387%0.86872%0.716SS**SBendtrans-138.4124.1146.6-61.6-170.4-162.3-128.93.9109.2
59G46.8Very low51.9Low75 Ų75144 Ų14477%0.77374%0.735SS**SBendtrans82.3145.7-178.300000116
60Q41Very low50.5Low188 Ų188147.4 Ų147.488%0.87975%0.748SS**  trans-77.6163.9163.7-55.3102.1-32.700110.3
61Q45.6Very low49.9Very low183 Ų183150.4 Ų150.486%0.85575%0.751SS**  cis-136174.67-124.9-161.8-129.300109.8
62P50.8Low49.2Very low102 Ų102152 Ų15266%0.66275%0.745SS**  trans-92.7-171.3-176.139.9-36.6000113.9
63E48.9Very low49Very low139 Ų139147.8 Ų147.865%0.6573%0.732SS**  trans77.9121.4177.7-157163.8161.400113.5K67E63-K67 IonicContact OE1-NZ 2.74Å; E63-K67 PolarHBondContact OE1-NZ 2.72Å; E63-K67 IonicContact OE2-NZ 2.65Å
64K45.4Very low48.9Very low169 Ų169150.7 Ų150.774%0.73574%0.739SS**SBendcis-126.1-19.546.9-69.9162.8-178.6173.40116.8K66K64-K66 VanDerWaalsContact C-N 3.35Å; K64-K66 PolarHBondContact O-N 3.12Å; K64-K66 VanDerWaalsContact O-N 3.12Å
65N43Very low48.7Very low160 Ų160149.9 Ų149.986%0.85673%0.729SS**THydrogen-bonded Turntrans-76.40.1-163-78.2-19.3000117.9
66K44.4Very low49Very low176 Ų176148.6 Ų148.677%0.76571%0.71SS**Hα-helixtrans-80.6-20.8175-72.8-173.8176.4178.20114.2K64 K68 K69 K70K64-K66 VanDerWaalsContact C-N 3.35Å; K64-K66 PolarHBondContact O-N 3.12Å; K64-K66 VanDerWaalsContact O-N 3.12Å; K66-K68 PolarHBondContact O-N 3.24Å; K66-K69 PolarHBondContact O-N 3.39Å; K66-K70 PolarHBondContact O-N 3.35Å
67K46.4Very low49.1Very low144 Ų144150.5 Ų150.563%0.62670%0.703SS**Hα-helixtrans-61.6-40.8-175.2-77.3173.4172.8168.60113E63 K71E63-K67 IonicContact OE1-NZ 2.74Å; E63-K67 PolarHBondContact OE1-NZ 2.72Å; E63-K67 IonicContact OE2-NZ 2.65Å; K67-K71 PolarHBondContact O-N 3.04Å
68K47.2Very low49.2Very low193 Ų193143.7 Ų143.784%0.83968%0.677SS**Hα-helixtrans-65.3-47.3176.3-74.9-171175.7-176.60113.4K66 K72K66-K68 PolarHBondContact O-N 3.24Å; K68-K72 PolarHBondContact O-N 3.07Å
69K47.6Very low49.6Very low175 Ų175138.6 Ų138.676%0.76167%0.666SS**Hα-helixtrans-74.7-31.8-175.7-161.9168.7-174.7174.60113.3K66 K73K66-K69 PolarHBondContact O-N 3.39Å; K69-K73 PolarHBondContact O-N 3.15Å
70K47.8Very low50Low170 Ų170144.1 Ų144.174%0.73966%0.664SS**Hα-helixtrans-73.2-34.6174.6-157.3-179.4-176.9-171.30112.4K66 K73 K74K66-K70 PolarHBondContact O-N 3.35Å; K70-K73 PolarHBondContact O-N 3.41Å; K70-K74 PolarHBondContact O-N 3.45Å
71K51.1Low50.6Low152 Ų152140.6 Ų140.666%0.66165%0.65SS**Hα-helixtrans-64-45.3175.4-163.9-179-178.8-171.10112K67 K73 K74 D75K67-K71 PolarHBondContact O-N 3.04Å; K71-K73 VanDerWaalsContact C-N 3.33Å; K71-K73 PolarHBondContact O-N 3.48Å; K71-K74 PolarHBondContact O-N 2.74Å; K71-K74 VanDerWaalsContact O-N 3.15Å; K71-D75 PolarHBondContact O-N 2.75Å
72K52.3Low51Low149 Ų149137 Ų13765%0.64865%0.645SS**Hα-helixtrans-60.5-40.2178.7-170.8176.6178.8-174.90112.7K68 D75 E76K68-K72 PolarHBondContact O-N 3.07Å; K72-D75 WeakPolarHBondContact O-CB 3.36Å; K72-E76 WeakPolarHBondContact O-CB 3.41Å; K72-E76 PolarHBondContact O-N 3.33Å
73K53.2Low51.2Low123 Ų123135.5 Ų135.554%0.53564%0.641SS.*Hα-helixtrans-63.5-46.3173-92.7-170.6160.6-70.30112.2K69 K70 K71 D75 E76 E77K69-K73 PolarHBondContact O-N 3.15Å; K70-K73 PolarHBondContact O-N 3.41Å; K71-K73 VanDerWaalsContact C-N 3.33Å; K71-K73 PolarHBondContact O-N 3.48Å; K73-D75 VanDerWaalsContact C-N 3.27Å; K73-D75 PolarHBondContact O-N 3.1Å; K73-E76 WeakPolarHBondContact O-CB 3.4Å; K73-E76 PolarHBondContact O-N 3.37Å; K73-E76 VanDerWaalsContact O-N 3.09Å; K73-E77 VanDerWaalsContact C-OE1 3.29Å; K73-E77 WeakPolarHBondContact O-CG 3.48Å; K73-E77 PolarHBondContact O-N 3.46Å; K73-E77 VanDerWaalsContact O-OE1 3.08Å
74K54.8Low51Low107 Ų107137.2 Ų137.247%0.46565%0.649SS.*Hα-helixtrans-59.6-37.8179.5-150.7-161.7176.1-620113K70 K71 E77 D78K70-K74 PolarHBondContact O-N 3.45Å; K71-K74 PolarHBondContact O-N 2.74Å; K71-K74 VanDerWaalsContact O-N 3.15Å; K74-E77 HydrophobicContact CG-CG 4.43Å; K74-E77 CarbonylContact O-C 3.51Å; K74-E77 PolarHBondContact O-N 2.91Å; K74-D78 IonicContact NZ-OD1 2.62Å; K74-D78 PolarHBondContact NZ-OD1 3.19Å; K74-D78 IonicContact NZ-OD2 2.67Å; K74-D78 PolarHBondContact NZ-OD2 2.62Å; K74-D78 WeakPolarHBondContact O-CB 3.45Å; K74-D78 VanDerWaalsContact O-CG 3.31Å; K74-D78 PolarHBondContact O-N 3.01Å
75D55.5Low51Low92 Ų92134.2 Ų134.249%0.49265%0.647SS.*Hα-helixtrans-57.3-53.5172.5-125.670.2000111.1K71 K72 K73 E77 D78 L79K71-D75 PolarHBondContact O-N 2.75Å; K72-D75 WeakPolarHBondContact O-CB 3.36Å; K73-D75 VanDerWaalsContact C-N 3.27Å; K73-D75 PolarHBondContact O-N 3.1Å; D75-E77 VanDerWaalsContact C-N 3.29Å; D75-E77 PolarHBondContact O-N 3.08Å; D75-D78 PolarHBondContact O-N 3.09Å; D75-D78 VanDerWaalsContact O-N 3.1Å; D75-L79 WeakPolarHBondContact O-CD1 3.2Å; D75-L79 PolarHBondContact O-N 2.94Å; D75-L79 VanDerWaalsContact O-N 3.08Å
76E57Low51.4Low120 Ų120136.8 Ų136.856%0.56165%0.651SS**Hα-helixtrans-61.1-34.6-179.1-153.4168.588.600112.2K72 K73K72-E76 WeakPolarHBondContact O-CB 3.41Å; K72-E76 PolarHBondContact O-N 3.33Å; K73-E76 WeakPolarHBondContact O-CB 3.4Å; K73-E76 PolarHBondContact O-N 3.37Å; K73-E76 VanDerWaalsContact O-N 3.09Å
77E53.6Low51.1Low99 Ų99135.7 Ų135.746%0.46365%0.652SS.*THydrogen-bonded Turntrans-956.3176.678.8-152.346.100114.5K73 K74 D75 W80K73-E77 VanDerWaalsContact C-OE1 3.29Å; K73-E77 WeakPolarHBondContact O-CG 3.48Å; K73-E77 PolarHBondContact O-N 3.46Å; K73-E77 VanDerWaalsContact O-OE1 3.08Å; K74-E77 HydrophobicContact CG-CG 4.43Å; K74-E77 CarbonylContact O-C 3.51Å; K74-E77 PolarHBondContact O-N 2.91Å; D75-E77 VanDerWaalsContact C-N 3.29Å; D75-E77 PolarHBondContact O-N 3.08Å; E77-W80 VanDerWaalsContact O-CD1 3.31Å; E77-W80 PolarHBondContact O-NE1 3.28Å
78D54.3Low50.9Low72 Ų72136 Ų13639%0.38566%0.66SS.*THydrogen-bonded Turntrans-101.6-28.5163.8-78.7-37000111.3K74 D75 W80 I81K74-D78 IonicContact NZ-OD1 2.62Å; K74-D78 PolarHBondContact NZ-OD1 3.19Å; K74-D78 IonicContact NZ-OD2 2.67Å; K74-D78 PolarHBondContact NZ-OD2 2.62Å; K74-D78 WeakPolarHBondContact O-CB 3.45Å; K74-D78 VanDerWaalsContact O-CG 3.31Å; K74-D78 PolarHBondContact O-N 3.01Å; D75-D78 PolarHBondContact O-N 3.09Å; D75-D78 VanDerWaalsContact O-N 3.1Å; D78-W80 VanDerWaalsContact C-N 3.29Å; D78-W80 PolarHBondContact O-N 3.21Å; D78-I81 PolarHBondContact O-N 3.09Å; D78-I81 VanDerWaalsContact O-N 3.09Å
79L54.8Low50.9Low123 Ų123134.9 Ų134.964%0.64466%0.658SS**THydrogen-bonded Turntrans-55.6-35.7-176.7-109.876.5000114.5D75 I81D75-L79 WeakPolarHBondContact O-CD1 3.2Å; D75-L79 PolarHBondContact O-N 2.94Å; D75-L79 VanDerWaalsContact O-N 3.08Å; L79-I81 VanDerWaalsContact C-N 3.32Å; L79-I81 PolarHBondContact O-N 3.23Å
80W55.1Low50.2Low190 Ų190134.9 Ų134.972%0.7266%0.663SS**THydrogen-bonded Turntrans-77.3-14.7-178.466.8-70.9000114E77 D78E77-W80 VanDerWaalsContact O-CD1 3.31Å; E77-W80 PolarHBondContact O-NE1 3.28Å; D78-W80 VanDerWaalsContact C-N 3.29Å; D78-W80 PolarHBondContact O-N 3.21Å
81I52.7Low49.7Very low115 Ų115134.8 Ų134.859%0.5967%0.665SS**THydrogen-bonded Turntrans-86.4-21.3179.7-57.5178.3000111D78 L79 A83D78-I81 PolarHBondContact O-N 3.09Å; D78-I81 VanDerWaalsContact O-N 3.09Å; L79-I81 VanDerWaalsContact C-N 3.32Å; L79-I81 PolarHBondContact O-N 3.23Å; I81-A83 VanDerWaalsContact C-N 3.26Å; I81-A83 PolarHBondContact O-N 3.49Å
82S55.6Low49.1Very low106 Ų106136.5 Ų136.574%0.74167%0.672SS**SBendtrans-79.97.2-176.2-167.70000115.2
83A54.1Low48.4Very low72 Ų72139.8 Ų139.860%0.59568%0.681SS**  trans-121.942.3-158.200000116.6I81I81-A83 VanDerWaalsContact C-N 3.26Å; I81-A83 PolarHBondContact O-N 3.49Å
84Q45.2Very low48Very low175 Ų175139.1 Ų139.182%0.81869%0.689SS**SBendtrans-157.9158.2158.9-93-59.5-48.800107.2
85P45.1Very low47.5Very low106 Ų106138.8 Ų138.869%0.68870%0.7SS**  -126.8179.1-11736.2-18.1000115.6L87P85-L87 PolarHBondContact O-N 3.42Å
86K51.4Low46.6Very low213 Ų213141.3 Ų141.393%0.92671%0.713SS**  trans-58.6126.4170.6-65175.5177.61760111.7
87L39.2Very low45.8Very low153 Ų153141.5 Ų141.580%0.80172%0.724SS**  trans-155.3143.9154.8-126.1170.2000109.2P85P85-L87 PolarHBondContact O-N 3.42Å
88L41.2Very low45Very low150 Ų150146.4 Ų146.479%0.78576%0.761SS**  trans63.1104.1-177.1-46.4179.6000112.2
89Q46.4Very low44.5Very low170 Ų170150.2 Ų150.279%0.79478%0.78SS**  cis54125.649.4-68.5-155.9-0.700114.9
90M34.8Very low44Very low176 Ų176151.6 Ų151.687%0.86779%0.787SS**  trans65.4149.4178.4-62.7168.5170.100113.5
91E37Very low43.4Very low168 Ų168149.4 Ų149.479%0.78579%0.79SS**  cis-143.6150.415.1-172.3149.168.900114.5
92K36.8Very low42.8Very low188 Ų188151.5 Ų151.582%0.81780%0.802SS**  trans5.3138.9157.3-102.4160.6173.5172.10122
93R39.6Very low42Very low217 Ų217154.3 Ų154.382%0.81981%0.806SS**  trans-53.2145.6144.8-80.8-81.5-157.91521.6110.7
94P43.8Very low41.2Very low109 Ų109159.8 Ų159.871%0.70882%0.82SS**  -98.7-14367-14.635.1000114.6
95S43.5Very low40.9Very low100 Ų100158.7 Ų158.770%0.69982%0.82SS**  cis-152.9176.813.8-47.30000112.2
96L37.4Very low40.6Very low146 Ų146162.8 Ų162.876%0.76483%0.83SS**  trans-121.6157.2156.1-110.7165.2000106.2
97P40.4Very low39.7Very low123 Ų123158.6 Ų158.680%0.79982%0.822SS**  -146.5141.167.338.1-19.3000117.3
98V36.3Very low39.7Very low203 Ų203159.1 Ų159.1100%1.2382%0.824SS**  -168.10121.5145.70000106.8

Retrieved 98 of 98 residues in 122.3 ms (Link to these results)