A0A077ZET7_TRITR Loading...

Cytochrome c oxidase assembly protein COX19

AlphaFold DB , UniProt , Accession A0A077ZET7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 89 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
1M68.8Low71.9Confident215 Ų215159.6 Ų159.6100%1.05980%0.802SS**  0104.70-66.1178.617600107.1
2S71.8Confident72.3Confident119 Ų119163.5 Ų163.583%0.83280%0.8SS**  trans-91.1117.2-175.823.60000110
3Y75.8Confident73.1Confident211 Ų211164.5 Ų164.583%0.82780%0.802SS**  trans-87.6108.7174.3-58-82.9000108.9Y5Y3-Y5 PolarHBondContact O-N 3.47Å
4T75.4Confident73.8Confident136 Ų136160.5 Ų160.583%0.83480%0.795SS**  trans-80.6105.9168.252.10000108.6R6T4-R6 PolarHBondContact O-N 3.08Å; T4-R6 VanDerWaalsContact O-N 3.08Å
5Y74.1Confident74.5Confident198 Ų198155.9 Ų155.978%0.77678%0.782SS**  trans-69100.9173.4-174.6-113.9000109.1Y3 Q7Y3-Y5 PolarHBondContact O-N 3.47Å; Y5-Q7 HydrophobicContact CD1-CG 3.42Å; Y5-Q7 VanDerWaalsContact CD1-CG 3.42Å; Y5-Q7 HydrophobicContact CE1-CG 3.28Å; Y5-Q7 PolarHBondContact O-N 2.97Å; Y5-Q7 VanDerWaalsContact O-N 3.09Å
6R72.9Confident74.9Confident233 Ų233157.6 Ų157.688%0.87979%0.793SS**  trans-7694.6174.1-165.5-175.8-134.4-157.64.3107.6T4 S8T4-R6 PolarHBondContact O-N 3.08Å; T4-R6 VanDerWaalsContact O-N 3.08Å; R6-S8 VanDerWaalsContact C-N 3.26Å; R6-S8 PolarHBondContact O-N 3.05Å
7Q70.3Confident75.1Confident156 Ų156154.8 Ų154.873%0.72977%0.774SS**  trans-66.492.6165.9-70.8-179.3-1.300107.3Y5 A9Y5-Q7 HydrophobicContact CD1-CG 3.42Å; Y5-Q7 VanDerWaalsContact CD1-CG 3.42Å; Y5-Q7 HydrophobicContact CE1-CG 3.28Å; Y5-Q7 PolarHBondContact O-N 2.97Å; Y5-Q7 VanDerWaalsContact O-N 3.09Å; Q7-A9 PolarHBondContact O-N 3.28Å; Q7-A9 VanDerWaalsContact O-N 3.14Å
8S67Low75.3Confident94 Ų94148.3 Ų148.366%0.65775%0.753SS**  trans-57.6117.8157.649.30000105.7R6 I10R6-S8 VanDerWaalsContact C-N 3.26Å; R6-S8 PolarHBondContact O-N 3.05Å; S8-I10 PolarHBondContact O-N 3.29Å
9A70.3Confident75.7Confident92 Ų92146.3 Ų146.376%0.7675%0.754SS**  trans-53.7110.7166.200000105.5Q7 E11Q7-A9 PolarHBondContact O-N 3.28Å; Q7-A9 VanDerWaalsContact O-N 3.14Å; A9-E11 PolarHBondContact O-N 3.21Å
10I72.9Confident76Confident121 Ų121143.3 Ų143.362%0.62174%0.735SS**  trans-60.8104165.3-63.3172.8000102.7S8 R12S8-I10 PolarHBondContact O-N 3.29Å; I10-R12 HydrophobicContact CB-CG 4.4Å; I10-R12 HydrophobicContact CG2-CG 3.86Å; I10-R12 WeakPolarHBondContact O-CG 3.49Å; I10-R12 PolarHBondContact O-N 2.9Å
11E72.3Confident76.6Confident181 Ų181139.7 Ų139.785%0.84672%0.721SS**  trans-63.993169.7-171.9171.2-176.700105A9 E13A9-E11 PolarHBondContact O-N 3.21Å; E11-E13 PolarHBondContact O-N 3.45Å; E11-E13 VanDerWaalsContact O-N 3.17Å
12R76.7Confident77.6Confident206 Ų206135.4 Ų135.478%0.77770%0.702SS**  trans-77.5104.4-180-65-174.1-171.490.9-2.2105.6I10I10-R12 HydrophobicContact CB-CG 4.4Å; I10-R12 HydrophobicContact CG2-CG 3.86Å; I10-R12 WeakPolarHBondContact O-CG 3.49Å; I10-R12 PolarHBondContact O-N 2.9Å
13E82.6Confident78.5Confident177 Ų177131.8 Ų131.883%0.82767%0.673SS**PPolyproline II helixtrans-53.6130.9168.7-70.3-177.617000108.7E11E11-E13 PolarHBondContact O-N 3.45Å; E11-E13 VanDerWaalsContact O-N 3.17Å
14P81.9Confident79.3Confident108 Ų108129.2 Ų129.270%0.70167%0.668SS**PPolyproline II helixtrans-63.3149.9177.926.7-33.5000110L16P14-L16 PolarHBondContact O-N 2.9Å
15P84.2Confident80.2Confident92 Ų92130 Ų13060%0.59767%0.667SS**PPolyproline II helixtrans-56.3132174.1-23.132.8000111K17 G18P15-K17 PolarHBondContact O-N 3.44Å; P15-K17 VanDerWaalsContact O-N 3.08Å; P15-G18 PolarHBondContact O-N 3.34Å
16L80.8Confident81.2Confident183 Ų183121.7 Ų121.796%0.95864%0.642SS**THydrogen-bonded Turntrans-55.3-32.5-174.9-137.291.6000113.8P14P14-L16 PolarHBondContact O-N 2.9Å
17K78.2Confident82.3Confident109 Ų109114 Ų11447%0.47462%0.62SS.*THydrogen-bonded Turntrans-1009-178.4-63-177.7175.9-1750113.2P15 F20 E69P15-K17 PolarHBondContact O-N 3.44Å; P15-K17 VanDerWaalsContact O-N 3.08Å; K17-F20 HydrophobicContact CB-CZ 4.32Å; K17-F20 HydrophobicContact CD-CZ 4.42Å; K17-E69 VanDerWaalsContact CD-OE1 3.27Å; K17-E69 WeakPolarHBondContact CD-OE1 3.31Å; K17-E69 WeakPolarHBondContact CE-OE1 3.08Å; K17-E69 IonicContact NZ-OE1 2.74Å; K17-E69 PolarHBondContact NZ-OE1 2.04Å; K17-E69 IonicContact NZ-OE2 3.83Å; K17-E69 PolarHBondContact NZ-OE2 3.44Å
18G79.9Confident83.6Confident38 Ų38106.5 Ų106.539%0.39259%0.586SS.*  trans71.1-179.4-171.900000113.4P15P15-G18 PolarHBondContact O-N 3.34Å
19S81.9Confident85Confident110 Ų110107.6 Ų107.677%0.76958%0.578SS**PPolyproline II helixtrans-81.4120.3172.554.10000109.8
20F82Confident86.3Confident87 Ų87109.4 Ų109.438%0.38258%0.575SS.*PPolyproline II helixtrans-62.9132.3174-68.1-71.4000110.6K17 M66K17-F20 HydrophobicContact CB-CZ 4.32Å; K17-F20 HydrophobicContact CD-CZ 4.42Å; F20-M66 HydrophobicContact CD1-CB 4.29Å; F20-M66 HydrophobicContact CD1-CG 4.1Å; F20-M66 HydrophobicContact CE1-CB 4.32Å; F20-M66 HydrophobicContact CE1-CE 4.45Å; F20-M66 HydrophobicContact CE1-CG 3.66Å; F20-M66 HydrophobicContact CZ-CG 4.5Å
21P88.5Confident87.5Confident68 Ų68106.4 Ų106.444%0.44256%0.558SS.*PPolyproline II helixtrans-57.9143.8172.8-23.834000111.5R60 L65P21-R60 PolarHBondContact O-NH2 3.37Å; P21-R60 VanDerWaalsContact O-NH2 3.14Å; P21-L65 HydrophobicContact CB-CD2 4.47Å
22L89.5Confident88.7Confident125 Ų125100.6 Ų100.665%0.65453%0.532SS*.PPolyproline II helixtrans-76138.7172.2-63.6179.3000109.7H24L22-H24 VanDerWaalsContact C-N 3.33Å; L22-H24 PolarHBondContact O-N 3.04Å
23D91.4Very high89.7Confident43 Ų4394.3 Ų94.323%0.2351%0.513CS..  trans-79.880.9173.6-174.310.4000109.7G26 V27 C28 L65D23-G26 VanDerWaalsContact OD1-CA 3.31Å; D23-G26 WeakPolarHBondContact OD1-CA 3.43Å; D23-G26 PolarHBondContact OD1-N 3.21Å; D23-G26 WeakPolarHBondContact OD2-CA 3.22Å; D23-V27 PolarHBondContact OD1-N 3.16Å; D23-V27 PolarHBondContact OD2-N 3.39Å; D23-C28 PolarHBondContact OD2-N 3.09Å; D23-L65 HydrophobicContact CB-CD1 3.83Å; D23-L65 HydrophobicContact CB-CD2 4.31Å
24H93.2Very high90.5Very high156 Ų15689.9 Ų89.972%0.72250%0.495SS*.SBendtrans-71.9-38.7-178-74.2-66.5000113L22 G26L22-H24 VanDerWaalsContact C-N 3.33Å; L22-H24 PolarHBondContact O-N 3.04Å; H24-G26 VanDerWaalsContact C-N 3.26Å; H24-G26 PolarHBondContact O-N 3.09Å
25D94Very high91.3Very high153 Ų15386.7 Ų86.782%0.81847%0.469SS*.SBendtrans-82.3-8.6-177.9-60-42.4000112.3V27D25-V27 VanDerWaalsContact C-N 3.34Å; D25-V27 HydrophobicContact CB-CG2 3.98Å
26G95.6Very high91.9Very high24 Ų2486.2 Ų86.225%0.24746%0.46CS..  trans67.336.6-179.400000112.1D23 H24 C28 K29D23-G26 VanDerWaalsContact OD1-CA 3.31Å; D23-G26 WeakPolarHBondContact OD1-CA 3.43Å; D23-G26 PolarHBondContact OD1-N 3.21Å; D23-G26 WeakPolarHBondContact OD2-CA 3.22Å; H24-G26 VanDerWaalsContact C-N 3.26Å; H24-G26 PolarHBondContact O-N 3.09Å; G26-C28 PolarHBondContact O-N 2.98Å; G26-K29 WeakPolarHBondContact O-CB 3.44Å; G26-K29 PolarHBondContact O-N 2.83Å; G26-K29 VanDerWaalsContact O-N 3.08Å
27V96Very high92.8Very high70 Ų7082.2 Ų82.242%0.42444%0.439SS..THydrogen-bonded Turntrans-59.6-38-175.1-176.30000110.8D23 D25 N63 L65D23-V27 PolarHBondContact OD1-N 3.16Å; D23-V27 PolarHBondContact OD2-N 3.39Å; D25-V27 VanDerWaalsContact C-N 3.34Å; D25-V27 HydrophobicContact CB-CG2 3.98Å; V27-N63 HydrophobicContact CG1-CB 4.15Å; V27-N63 WeakPolarHBondContact CG1-OD1 3.06Å; V27-L65 HydrophobicContact CB-CD1 4.4Å
28C96.6Very high93.7Very high0 Ų078 Ų780%042%0.423CS..THydrogen-bonded Turntrans-103.523.3180-60.70000112.9D23 G26 L30 Q31 M32 Y56 C59 R60D23-C28 PolarHBondContact OD2-N 3.09Å; G26-C28 PolarHBondContact O-N 2.98Å; C28-L30 PolarHBondContact O-N 3.16Å; C28-Q31 PolarHBondContact O-OE1 3.14Å; C28-M32 VanDerWaalsContact O-CB 3.31Å; C28-M32 WeakPolarHBondContact O-CB 3.41Å; C28-M32 PolarHBondContact O-N 3.06Å; C28-Y56 HydrophobicContact CB-CD2 4.14Å; C28-Y56 HydrophobicContact CB-CE2 4.06Å; C28-C59 WeakPolarHBondContact CA-SG 3.31Å; C28-C59 HydrophobicContact CB-CB 3.85Å; C28-C59 WeakPolarHBondContact CB-SG 3.02Å; C28-C59 WeakPolarHBondContact SG-CB 3.49Å; C28-C59 PolarHBondContact SG-O 3.13Å; C28-C59 VanDerWaalsContact SG-O 3.34Å; C28-C59 CovalentContact SG-SG 2.04Å; C28-C59 PolarHBondContact SG-SG 3.49Å; C28-R60 HydrophobicContact CB-CG 4.21Å; C28-R60 PolarHBondContact SG-N 3.12Å; C28-R60 VanDerWaalsContact SG-N 3.44Å
29K97Very high94.6Very high116 Ų11677.2 Ų77.250%0.50441%0.41SS..Hα-helixtrans-65.3-36.7-174.3-176.7174.3-179.2178.60112.9G26 M32 L33G26-K29 WeakPolarHBondContact O-CB 3.44Å; G26-K29 PolarHBondContact O-N 2.83Å; G26-K29 VanDerWaalsContact O-N 3.08Å; K29-M32 PolarHBondContact O-N 2.82Å; K29-L33 HydrophobicContact CG-CD1 4.03Å; K29-L33 HydrophobicContact CG-CG 4.28Å; K29-L33 WeakPolarHBondContact O-CB 3.22Å; K29-L33 VanDerWaalsContact O-CG 3.22Å; K29-L33 WeakPolarHBondContact O-CG 3.48Å; K29-L33 PolarHBondContact O-N 3.46Å
30L97.6Very high95.4Very high130 Ų13078.9 Ų78.968%0.68141%0.406SS*.Hα-helixtrans-64.2-52.9-178.8-65.2177.9000111.1C28 M32 L33 D34C28-L30 PolarHBondContact O-N 3.16Å; L30-M32 VanDerWaalsContact C-N 3.27Å; L30-M32 PolarHBondContact O-N 3.1Å; L30-L33 PolarHBondContact O-N 3.33Å; L30-L33 VanDerWaalsContact O-N 3.1Å; L30-D34 PolarHBondContact O-N 3.42Å
31Q98Very high96.1Very high58 Ų5879.1 Ų79.127%0.27142%0.418SS..Hα-helixtrans-62.4-36.9178.1-56.684.9-13.500111.3C28 Y35 Y56 C59C28-Q31 PolarHBondContact O-OE1 3.14Å; Q31-Y35 WeakPolarHBondContact O-CB 3.41Å; Q31-Y35 PolarHBondContact O-N 3.02Å; Q31-Y56 HydrophobicContact CB-CD2 4.38Å; Q31-C59 HydrophobicContact CG-CB 4.5Å
32M97.4Very high96.6Very high60 Ų6079.2 Ų79.230%0.29642%0.415SS..Hα-helixtrans-60.6-48.4173.4-176-92.6-84.500111.4C28 K29 L30 Y35 M36 Y56C28-M32 VanDerWaalsContact O-CB 3.31Å; C28-M32 WeakPolarHBondContact O-CB 3.41Å; C28-M32 PolarHBondContact O-N 3.06Å; K29-M32 PolarHBondContact O-N 2.82Å; L30-M32 VanDerWaalsContact C-N 3.27Å; L30-M32 PolarHBondContact O-N 3.1Å; M32-Y35 PolarHBondContact O-N 2.89Å; M32-M36 HydrophobicContact CG-CG 4.38Å; M32-M36 WeakPolarHBondContact O-CB 3.48Å; M32-M36 WeakPolarHBondContact O-CG 3.48Å; M32-M36 PolarHBondContact O-N 3.35Å; M32-M36 HydrophobicContact SD-CG 3.73Å; M32-Y56 HydrophobicContact CB-CD2 3.79Å; M32-Y56 HydrophobicContact CB-CE2 3.57Å; M32-Y56 HydrophobicContact CG-CE2 4.03Å
33L98.1Very high96.9Very high74 Ų7476.4 Ų76.439%0.38742%0.416SS..Hα-helixtrans-62.9-44.2-180-73.5173.5000111.6K29 L30 Y35 M36 L37K29-L33 HydrophobicContact CG-CD1 4.03Å; K29-L33 HydrophobicContact CG-CG 4.28Å; K29-L33 WeakPolarHBondContact O-CB 3.22Å; K29-L33 VanDerWaalsContact O-CG 3.22Å; K29-L33 WeakPolarHBondContact O-CG 3.48Å; K29-L33 PolarHBondContact O-N 3.46Å; L30-L33 PolarHBondContact O-N 3.33Å; L30-L33 VanDerWaalsContact O-N 3.1Å; L33-Y35 VanDerWaalsContact C-N 3.32Å; L33-Y35 PolarHBondContact O-N 3.39Å; L33-M36 PolarHBondContact O-N 3.16Å; L33-M36 VanDerWaalsContact O-N 3.16Å; L33-L37 WeakPolarHBondContact O-CB 3.39Å; L33-L37 VanDerWaalsContact O-CG 3.28Å; L33-L37 WeakPolarHBondContact O-CG 2.84Å; L33-L37 PolarHBondContact O-N 3.18Å
34D98.4Very high97.1Very high83 Ų8381.1 Ų81.144%0.44444%0.441SS..Hα-helixtrans-59.8-45.1177.5-68.2-27.6000111.3L30 M36 L37 C38 L52L30-D34 PolarHBondContact O-N 3.42Å; D34-M36 PolarHBondContact O-N 3.14Å; D34-L37 PolarHBondContact O-N 3.3Å; D34-C38 WeakPolarHBondContact O-CB 3.45Å; D34-C38 PolarHBondContact O-N 3.37Å; D34-L52 HydrophobicContact CB-CD2 4.22Å
35Y98.4Very high97.2Very high41 Ų4176.3 Ų76.316%0.16142%0.424CS..Hα-helixtrans-61.2-44.3174.6176-125.8000112Q31 M32 L33 C38 L39 C49 L52 A53 Y56Q31-Y35 WeakPolarHBondContact O-CB 3.41Å; Q31-Y35 PolarHBondContact O-N 3.02Å; M32-Y35 PolarHBondContact O-N 2.89Å; L33-Y35 VanDerWaalsContact C-N 3.32Å; L33-Y35 PolarHBondContact O-N 3.39Å; Y35-C38 WeakPolarHBondContact O-CB 3.28Å; Y35-C38 PolarHBondContact O-N 3.47Å; Y35-L39 HydrophobicContact CD1-CD1 4.29Å; Y35-L39 HydrophobicContact CD2-CG 4.34Å; Y35-L39 HydrophobicContact CE1-CD1 3.71Å; Y35-L39 HydrophobicContact CE1-CG 4.4Å; Y35-L39 HydrophobicContact CE2-CD1 4.06Å; Y35-L39 HydrophobicContact CE2-CD2 3.98Å; Y35-L39 HydrophobicContact CE2-CG 3.86Å; Y35-L39 WeakPolarHBondContact O-CG 3.43Å; Y35-L39 PolarHBondContact O-N 2.93Å; Y35-C49 HydrophobicContact CD2-CB 3.75Å; Y35-C49 HydrophobicContact CE2-CB 3.7Å; Y35-L52 HydrophobicContact CD2-CB 4.28Å; Y35-A53 HydrophobicContact CD2-CB 3.91Å; Y35-A53 HydrophobicContact CE2-CB 3.67Å; Y35-Y56 HydrophobicContact CD1-CD1 4.44Å
36M97.9Very high97.1Very high83 Ų8372 Ų7241%0.40941%0.406SS..Hα-helixtrans-65.8-41.1179.1-69.9-63.7134.600112.8M32 L33 D34 C38 L39 Q40M32-M36 HydrophobicContact CG-CG 4.38Å; M32-M36 WeakPolarHBondContact O-CB 3.48Å; M32-M36 WeakPolarHBondContact O-CG 3.48Å; M32-M36 PolarHBondContact O-N 3.35Å; M32-M36 HydrophobicContact SD-CG 3.73Å; L33-M36 PolarHBondContact O-N 3.16Å; L33-M36 VanDerWaalsContact O-N 3.16Å; D34-M36 PolarHBondContact O-N 3.14Å; M36-C38 VanDerWaalsContact C-N 3.3Å; M36-C38 PolarHBondContact O-N 2.82Å; M36-L39 HydrophobicContact CE-CD1 4.08Å; M36-L39 PolarHBondContact O-N 3.01Å; M36-L39 HydrophobicContact SD-CD1 4.12Å; M36-Q40 WeakPolarHBondContact O-CB 3.42Å; M36-Q40 PolarHBondContact O-N 3.3Å
37L98.3Very high97Very high99 Ų9975.3 Ų75.352%0.51843%0.426SS..Hα-helixtrans-63.5-38.2175.2-71.8171.5000111.2L33 D34 Q40 S41L33-L37 WeakPolarHBondContact O-CB 3.39Å; L33-L37 VanDerWaalsContact O-CG 3.28Å; L33-L37 WeakPolarHBondContact O-CG 2.84Å; L33-L37 PolarHBondContact O-N 3.18Å; D34-L37 PolarHBondContact O-N 3.3Å; L37-Q40 PolarHBondContact O-N 3.43Å; L37-S41 PolarHBondContact O-N 2.9Å; L37-S41 PolarHBondContact O-OG 3.06Å
38C98.7Very high97Very high19 Ų1975.4 Ų75.413%0.12843%0.428CS..Hα-helixtrans-64.2-45.8173-178.90000111.8D34 Y35 M36 Q40 S41 N42 C49 L52D34-C38 WeakPolarHBondContact O-CB 3.45Å; D34-C38 PolarHBondContact O-N 3.37Å; Y35-C38 WeakPolarHBondContact O-CB 3.28Å; Y35-C38 PolarHBondContact O-N 3.47Å; M36-C38 VanDerWaalsContact C-N 3.3Å; M36-C38 PolarHBondContact O-N 2.82Å; C38-Q40 VanDerWaalsContact C-N 3.3Å; C38-Q40 PolarHBondContact O-N 3.39Å; C38-S41 WeakPolarHBondContact CA-OG 3.31Å; C38-S41 PolarHBondContact O-N 3.03Å; C38-S41 PolarHBondContact O-OG 2.97Å; C38-N42 WeakPolarHBondContact O-CB 3.47Å; C38-N42 PolarHBondContact O-N 2.94Å; C38-N42 PolarHBondContact O-ND2 3.4Å; C38-C49 HydrophobicContact CB-CB 3.77Å; C38-C49 WeakPolarHBondContact CB-SG 3.47Å; C38-C49 PolarHBondContact O-SG 2.97Å; C38-C49 WeakPolarHBondContact SG-CA 3.33Å; C38-C49 WeakPolarHBondContact SG-CB 3.38Å; C38-C49 CovalentContact SG-SG 2.03Å; C38-C49 PolarHBondContact SG-SG 3.5Å; C38-L52 HydrophobicContact CB-CD1 3.49Å; C38-L52 VanDerWaalsContact CB-CD1 3.49Å
39L98.3Very high97Very high22 Ų2275.4 Ų75.412%0.11543%0.428CS..Hα-helixtrans-59.1-44.4176.1-73.4177.1000111.3Y35 M36 S41 N42 G43 L44 C49Y35-L39 HydrophobicContact CD1-CD1 4.29Å; Y35-L39 HydrophobicContact CD2-CG 4.34Å; Y35-L39 HydrophobicContact CE1-CD1 3.71Å; Y35-L39 HydrophobicContact CE1-CG 4.4Å; Y35-L39 HydrophobicContact CE2-CD1 4.06Å; Y35-L39 HydrophobicContact CE2-CD2 3.98Å; Y35-L39 HydrophobicContact CE2-CG 3.86Å; Y35-L39 WeakPolarHBondContact O-CG 3.43Å; Y35-L39 PolarHBondContact O-N 2.93Å; M36-L39 HydrophobicContact CE-CD1 4.08Å; M36-L39 PolarHBondContact O-N 3.01Å; M36-L39 HydrophobicContact SD-CD1 4.12Å; L39-S41 PolarHBondContact O-N 3.25Å; L39-N42 CarbonylContact O-C 3.58Å; L39-N42 PolarHBondContact O-N 3.45Å; L39-G43 PolarHBondContact O-N 3.3Å; L39-L44 WeakPolarHBondContact O-CA 3.01Å; L39-L44 PolarHBondContact O-N 3.26Å; L39-C49 PolarHBondContact N-SG 3.46Å; L39-C49 VanDerWaalsContact N-SG 3.45Å
40Q98Very high97Very high146 Ų14673.6 Ų73.668%0.68242%0.421SS*.Hα-helixtrans-61.3-43.9179.7-172.2177.925.800111.9M36 L37 C38 N42M36-Q40 WeakPolarHBondContact O-CB 3.42Å; M36-Q40 PolarHBondContact O-N 3.3Å; L37-Q40 PolarHBondContact O-N 3.43Å; C38-Q40 VanDerWaalsContact C-N 3.3Å; C38-Q40 PolarHBondContact O-N 3.39Å; Q40-N42 VanDerWaalsContact C-N 3.3Å; Q40-N42 PolarHBondContact O-N 3.47Å
41S97.8Very high96.8Very high92 Ų9272.9 Ų72.964%0.64342%0.418SS*.Hα-helixtrans-71-23.3179.556.40000113.7L37 C38 L39L37-S41 PolarHBondContact O-N 2.9Å; L37-S41 PolarHBondContact O-OG 3.06Å; C38-S41 WeakPolarHBondContact CA-OG 3.31Å; C38-S41 PolarHBondContact O-N 3.03Å; C38-S41 PolarHBondContact O-OG 2.97Å; L39-S41 PolarHBondContact O-N 3.25Å
42N97.6Very high96.8Very high69 Ų6972.4 Ų72.437%0.36942%0.417SS..THydrogen-bonded Turntrans-104.922.5-178.9-68.6-83.6000113.9C38 L39 Q40 L44 S45 P48C38-N42 WeakPolarHBondContact O-CB 3.47Å; C38-N42 PolarHBondContact O-N 2.94Å; C38-N42 PolarHBondContact O-ND2 3.4Å; L39-N42 CarbonylContact O-C 3.58Å; L39-N42 PolarHBondContact O-N 3.45Å; Q40-N42 VanDerWaalsContact C-N 3.3Å; Q40-N42 PolarHBondContact O-N 3.47Å; N42-L44 VanDerWaalsContact C-N 3.33Å; N42-L44 PolarHBondContact O-N 3.27Å; N42-S45 WeakPolarHBondContact O-CB 3.49Å; N42-S45 PolarHBondContact O-N 3.49Å; N42-S45 VanDerWaalsContact O-N 3.12Å; N42-P48 HydrophobicContact CB-CG 3.57Å; N42-P48 WeakPolarHBondContact OD1-CG 3.45Å
43G96.4Very high96.8Very high67 Ų6770.1 Ų70.169%0.69141%0.408SS*.THydrogen-bonded Turntrans61.439.7176.500000113.4L39 S45L39-G43 PolarHBondContact O-N 3.3Å; G43-S45 PolarHBondContact O-N 3.5Å
44L95.1Very high96.7Very high142 Ų14268.9 Ų68.974%0.74340%0.399SS*.THydrogen-bonded Turntrans66.213.5-176.9-50.8176.3000114.9L39 N42L39-L44 WeakPolarHBondContact O-CA 3.01Å; L39-L44 PolarHBondContact O-N 3.26Å; N42-L44 VanDerWaalsContact C-N 3.33Å; N42-L44 PolarHBondContact O-N 3.27Å
45S95.5Very high96.7Very high54 Ų5470 Ų7038%0.37840%0.401SS..  trans-76.7123.6172.3-173.60000111N42 G43 P48N42-S45 WeakPolarHBondContact O-CB 3.49Å; N42-S45 PolarHBondContact O-N 3.49Å; N42-S45 VanDerWaalsContact O-N 3.12Å; G43-S45 PolarHBondContact O-N 3.5Å; S45-P48 WeakPolarHBondContact O-CD 3.28Å
46S92.3Very high96.6Very high63 Ų6369.9 Ų69.944%0.44140%0.401SS..SBendtrans-83.5-25-178.659.50000114.1C49 H50S46-C49 CarbonylContact O-C 3.4Å; S46-C49 WeakPolarHBondContact O-CA 3.49Å; S46-C49 PolarHBondContact O-N 3Å; S46-H50 PolarHBondContact O-N 2.97Å
47S94.3Very high96.5Very high94 Ų9467.6 Ų67.666%0.65739%0.39SS*.G310 helixtrans-51.2-49-178.9-61.60000114.6C49 H50S47-C49 PolarHBondContact O-N 3.36Å; S47-H50 WeakPolarHBondContact O-CB 3.1Å; S47-H50 PolarHBondContact O-N 3.36Å
48P95.6Very high96.5Very high71 Ų7167.9 Ų67.946%0.46139%0.387SS..G310 helixtrans-68.2-20.8177.126.2-33.5000113N42 S45N42-P48 HydrophobicContact CB-CG 3.57Å; N42-P48 WeakPolarHBondContact OD1-CG 3.45Å; S45-P48 WeakPolarHBondContact O-CD 3.28Å
49C97.2Very high96.4Very high0 Ų067.4 Ų67.40%038%0.384CS..G310 helixtrans-97.513.3-176-49.20000113Y35 C38 L39 S46 S47 N51 L52 A53Y35-C49 HydrophobicContact CD2-CB 3.75Å; Y35-C49 HydrophobicContact CE2-CB 3.7Å; C38-C49 HydrophobicContact CB-CB 3.77Å; C38-C49 WeakPolarHBondContact CB-SG 3.47Å; C38-C49 PolarHBondContact O-SG 2.97Å; C38-C49 WeakPolarHBondContact SG-CA 3.33Å; C38-C49 WeakPolarHBondContact SG-CB 3.38Å; C38-C49 CovalentContact SG-SG 2.03Å; C38-C49 PolarHBondContact SG-SG 3.5Å; L39-C49 PolarHBondContact N-SG 3.46Å; L39-C49 VanDerWaalsContact N-SG 3.45Å; S46-C49 CarbonylContact O-C 3.4Å; S46-C49 WeakPolarHBondContact O-CA 3.49Å; S46-C49 PolarHBondContact O-N 3Å; S47-C49 PolarHBondContact O-N 3.36Å; C49-N51 PolarHBondContact O-N 2.95Å; C49-L52 PolarHBondContact O-N 3.49Å; C49-A53 PolarHBondContact O-N 3.42Å
50H95.1Very high96.3Very high78 Ų7868.2 Ų68.236%0.36139%0.386SS..Hα-helixtrans-56.6-44.2-173.2-175.4-98.4000113S46 S47 L52 A53 K54 G75 F76S46-H50 PolarHBondContact O-N 2.97Å; S47-H50 WeakPolarHBondContact O-CB 3.1Å; S47-H50 PolarHBondContact O-N 3.36Å; H50-L52 PolarHBondContact O-N 3.48Å; H50-A53 PolarHBondContact O-N 3.5Å; H50-K54 PolarHBondContact O-N 2.91Å; H50-G75 PolarHBondContact NE2-O 3.16Å; H50-F76 AromaticContact CD2-CD1 3.88Å; H50-F76 AromaticContact CD2-CE1 3.8Å; H50-F76 AromaticContact CE1-CD1 3.28Å; H50-F76 WeakPolarHBondContact CE1-CD1 3.49Å; H50-F76 AromaticContact CE1-CE1 3.98Å; H50-F76 AromaticContact ND1-CD1 3.84Å; H50-F76 AromaticContact NE2-CD1 3.28Å; H50-F76 VanDerWaalsContact NE2-CD1 3.28Å; H50-F76 WeakPolarHBondContact NE2-CD1 3.22Å; H50-F76 AromaticContact NE2-CE1 3.67Å; H50-F76 VanDerWaalsContact O-CE1 3.31Å; H50-F76 WeakPolarHBondContact O-CE1 3.27Å
51N95Very high96.2Very high115 Ų11561.9 Ų61.962%0.61536%0.356SS*.Hα-helixtrans-64.7-41.9178.6-65.7-26.7000112.4C49 A53 K54 E55C49-N51 PolarHBondContact O-N 2.95Å; N51-A53 VanDerWaalsContact C-N 3.35Å; N51-A53 PolarHBondContact O-N 3.06Å; N51-K54 WeakPolarHBondContact O-CB 3.48Å; N51-K54 PolarHBondContact O-N 3.18Å; N51-E55 PolarHBondContact O-N 2.88Å
52L97.6Very high96.1Very high49 Ų4963.2 Ų63.226%0.25735%0.352SS..Hα-helixtrans-66.9-38.1178.6-61173.2000111.5D34 Y35 C38 C49 H50 K54 E55 Y56D34-L52 HydrophobicContact CB-CD2 4.22Å; Y35-L52 HydrophobicContact CD2-CB 4.28Å; C38-L52 HydrophobicContact CB-CD1 3.49Å; C38-L52 VanDerWaalsContact CB-CD1 3.49Å; C49-L52 PolarHBondContact O-N 3.49Å; H50-L52 PolarHBondContact O-N 3.48Å; L52-K54 VanDerWaalsContact C-N 3.33Å; L52-K54 PolarHBondContact O-N 3.17Å; L52-E55 PolarHBondContact O-N 3.46Å; L52-Y56 WeakPolarHBondContact O-CB 3.41Å; L52-Y56 PolarHBondContact O-N 3.01Å
53A97.1Very high95.9Very high12 Ų1263.3 Ų63.310%0.09935%0.353CS..Hα-helixtrans-61.7-41.7172.600000111.6Y35 C49 H50 N51 E55 Y56 L57 F76Y35-A53 HydrophobicContact CD2-CB 3.91Å; Y35-A53 HydrophobicContact CE2-CB 3.67Å; C49-A53 PolarHBondContact O-N 3.42Å; H50-A53 PolarHBondContact O-N 3.5Å; N51-A53 VanDerWaalsContact C-N 3.35Å; N51-A53 PolarHBondContact O-N 3.06Å; A53-E55 PolarHBondContact O-N 2.83Å; A53-Y56 PolarHBondContact O-N 2.74Å; A53-L57 VanDerWaalsContact O-CG 3.31Å; A53-L57 WeakPolarHBondContact O-CG 2.99Å; A53-L57 PolarHBondContact O-N 3.36Å; A53-F76 HydrophobicContact CB-CE1 4.16Å; A53-F76 HydrophobicContact CB-CZ 4.1Å
54K96.7Very high95.7Very high47 Ų4766.2 Ų66.220%0.20435%0.352CS..Hα-helixtrans-58.9-47.4176.2-168.8179176.8173.70111H50 N51 L52 L57 K58 M71 F76 E78H50-K54 PolarHBondContact O-N 2.91Å; N51-K54 WeakPolarHBondContact O-CB 3.48Å; N51-K54 PolarHBondContact O-N 3.18Å; L52-K54 VanDerWaalsContact C-N 3.33Å; L52-K54 PolarHBondContact O-N 3.17Å; K54-L57 PolarHBondContact O-N 3.3Å; K54-K58 VanDerWaalsContact O-CB 3.28Å; K54-K58 WeakPolarHBondContact O-CB 3.46Å; K54-K58 PolarHBondContact O-N 3.02Å; K54-M71 HydrophobicContact CG-CE 4.47Å; K54-M71 HydrophobicContact CG-SD 3.92Å; K54-F76 HydrophobicContact CB-CD1 3.53Å; K54-F76 HydrophobicContact CB-CE1 3.68Å; K54-F76 HydrophobicContact CB-CG 4.12Å; K54-F76 HydrophobicContact CB-CZ 4.35Å; K54-F76 HydrophobicContact CD-CB 4.07Å; K54-F76 HydrophobicContact CD-CD1 4.19Å; K54-F76 HydrophobicContact CD-CG 4.27Å; K54-F76 HydrophobicContact CG-CB 4.23Å; K54-F76 HydrophobicContact CG-CD1 3.85Å; K54-F76 HydrophobicContact CG-CE1 4.4Å; K54-F76 HydrophobicContact CG-CG 3.94Å; K54-E78 IonicContact NZ-OE1 2.63Å; K54-E78 PolarHBondContact NZ-OE1 3.14Å
55E97.2Very high95.6Very high106 Ų10660.3 Ų60.350%0.49532%0.322SS..Hα-helixtrans-64.4-43.1179.9-71.3173.5-171.200112.4N51 L52 A53 K58 C59N51-E55 PolarHBondContact O-N 2.88Å; L52-E55 PolarHBondContact O-N 3.46Å; A53-E55 PolarHBondContact O-N 2.83Å; E55-K58 PolarHBondContact O-N 3.32Å; E55-C59 PolarHBondContact O-N 3.08Å
56Y97.4Very high95.5Very high39 Ų3959.2 Ų59.215%0.15331%0.311CS..Hα-helixtrans-61.7-46.6176.5171.9-126.4000112.2C28 Q31 M32 Y35 L52 A53 C59 R60C28-Y56 HydrophobicContact CB-CD2 4.14Å; C28-Y56 HydrophobicContact CB-CE2 4.06Å; Q31-Y56 HydrophobicContact CB-CD2 4.38Å; M32-Y56 HydrophobicContact CB-CD2 3.79Å; M32-Y56 HydrophobicContact CB-CE2 3.57Å; M32-Y56 HydrophobicContact CG-CE2 4.03Å; Y35-Y56 HydrophobicContact CD1-CD1 4.44Å; L52-Y56 WeakPolarHBondContact O-CB 3.41Å; L52-Y56 PolarHBondContact O-N 3.01Å; A53-Y56 PolarHBondContact O-N 2.74Å; Y56-C59 PolarHBondContact O-N 2.63Å; Y56-R60 HydrophobicContact CD2-CG 4.44Å; Y56-R60 HydrophobicContact CE2-CG 3.98Å; Y56-R60 PolarHBondContact O-N 2.81Å; Y56-R60 VanDerWaalsContact O-N 3.16Å; Y56-R60 PolarHBondContact OH-NH1 2.03Å
57L96.3Very high95.4Very high35 Ų3561.2 Ų61.218%0.18332%0.316CS..Hα-helixtrans-66.4-39.1178.2-68.1171000111.9A53 K54 C59 R60 M61 M66 F76A53-L57 VanDerWaalsContact O-CG 3.31Å; A53-L57 WeakPolarHBondContact O-CG 2.99Å; A53-L57 PolarHBondContact O-N 3.36Å; K54-L57 PolarHBondContact O-N 3.3Å; L57-C59 PolarHBondContact O-N 3.43Å; L57-R60 PolarHBondContact O-N 2.85Å; L57-M61 PolarHBondContact O-N 3.31Å; L57-M66 HydrophobicContact CD2-CE 3.6Å; L57-M66 HydrophobicContact CD2-SD 3.83Å; L57-F76 HydrophobicContact CD1-CE2 3.48Å; L57-F76 VanDerWaalsContact CD1-CE2 3.48Å; L57-F76 HydrophobicContact CD1-CZ 3.68Å
58K96.3Very high95.2Very high106 Ų10663.9 Ų63.946%0.46132%0.318SS..Hα-helixtrans-57.8-49.1174.6-172.1173.4167.3178.50111.5K54 E55 R60 M61 E62 M71K54-K58 VanDerWaalsContact O-CB 3.28Å; K54-K58 WeakPolarHBondContact O-CB 3.46Å; K54-K58 PolarHBondContact O-N 3.02Å; E55-K58 PolarHBondContact O-N 3.32Å; K58-R60 VanDerWaalsContact C-N 3.26Å; K58-R60 PolarHBondContact O-N 2.93Å; K58-M61 PolarHBondContact O-N 2.92Å; K58-M61 VanDerWaalsContact O-N 3.14Å; K58-E62 WeakPolarHBondContact CE-OE1 3.4Å; K58-E62 HydrophobicContact CG-CG 4.43Å; K58-E62 IonicContact NZ-OE1 2.85Å; K58-E62 WeakPolarHBondContact O-CG 3.37Å; K58-E62 PolarHBondContact O-N 3.26Å; K58-M71 HydrophobicContact CB-CE 3.54Å; K58-M71 HydrophobicContact CD-CE 4.34Å; K58-M71 HydrophobicContact CG-CE 3.9Å
59C97.5Very high95Very high8 Ų862.5 Ų62.55%0.05431%0.305CS..Hα-helixtrans-56.2-42.4176.4177.90000111.6C28 Q31 E55 Y56 L57 M61 E62 N63C28-C59 WeakPolarHBondContact CA-SG 3.31Å; C28-C59 HydrophobicContact CB-CB 3.85Å; C28-C59 WeakPolarHBondContact CB-SG 3.02Å; C28-C59 WeakPolarHBondContact SG-CB 3.49Å; C28-C59 PolarHBondContact SG-O 3.13Å; C28-C59 VanDerWaalsContact SG-O 3.34Å; C28-C59 CovalentContact SG-SG 2.04Å; C28-C59 PolarHBondContact SG-SG 3.49Å; Q31-C59 HydrophobicContact CG-CB 4.5Å; E55-C59 PolarHBondContact O-N 3.08Å; Y56-C59 PolarHBondContact O-N 2.63Å; L57-C59 PolarHBondContact O-N 3.43Å; C59-M61 PolarHBondContact O-N 3.25Å; C59-E62 PolarHBondContact O-N 3.07Å; C59-N63 WeakPolarHBondContact O-CB 3.31Å; C59-N63 PolarHBondContact O-N 3.44Å; C59-N63 VanDerWaalsContact O-N 3.09Å; C59-N63 PolarHBondContact O-ND2 3.23Å
60R96.6Very high94.8Very high40 Ų4066.6 Ų66.615%0.15133%0.327CS..Hα-helixtrans-66.1-37.2179.4-70.7-169.668.8146.82.8112.9P21 C28 Y56 L57 K58 N64 L65 M66P21-R60 PolarHBondContact O-NH2 3.37Å; P21-R60 VanDerWaalsContact O-NH2 3.14Å; C28-R60 HydrophobicContact CB-CG 4.21Å; C28-R60 PolarHBondContact SG-N 3.12Å; C28-R60 VanDerWaalsContact SG-N 3.44Å; Y56-R60 HydrophobicContact CD2-CG 4.44Å; Y56-R60 HydrophobicContact CE2-CG 3.98Å; Y56-R60 PolarHBondContact O-N 2.81Å; Y56-R60 VanDerWaalsContact O-N 3.16Å; Y56-R60 PolarHBondContact OH-NH1 2.03Å; L57-R60 PolarHBondContact O-N 2.85Å; K58-R60 VanDerWaalsContact C-N 3.26Å; K58-R60 PolarHBondContact O-N 2.93Å; R60-N64 PolarHBondContact O-N 3.23Å; R60-L65 HydrophobicContact CB-CB 4.03Å; R60-L65 HydrophobicContact CG-CB 4.24Å; R60-L65 PolarHBondContact NE-O 3.38Å; R60-L65 PolarHBondContact NH2-O 2.95Å; R60-L65 VanDerWaalsContact NH2-O 3.13Å; R60-L65 CarbonylContact O-C 3.55Å; R60-L65 WeakPolarHBondContact O-CA 3.44Å; R60-L65 WeakPolarHBondContact O-CB 3.28Å; R60-L65 PolarHBondContact O-N 3.45Å; R60-M66 HydrophobicContact CB-CB 3.84Å; R60-M66 PolarHBondContact O-N 3.19Å; R60-M66 VanDerWaalsContact O-N 3.12Å
61M94.8Very high94.7Very high13 Ų1364.3 Ų64.36%0.06432%0.317CS..Hα-helixtrans-67.1-46.5175.5-70.4-175.5-76.900111.2L57 K58 C59 N63 N64 M66 E68 E69 M71 L74L57-M61 PolarHBondContact O-N 3.31Å; K58-M61 PolarHBondContact O-N 2.92Å; K58-M61 VanDerWaalsContact O-N 3.14Å; C59-M61 PolarHBondContact O-N 3.25Å; M61-N63 PolarHBondContact O-N 3.34Å; M61-N64 PolarHBondContact O-N 3.45Å; M61-N64 VanDerWaalsContact O-N 3.16Å; M61-M66 HydrophobicContact CG-CB 3.99Å; M61-M66 HydrophobicContact CG-CG 3.95Å; M61-M66 HydrophobicContact CG-SD 4.2Å; M61-E68 HydrophobicContact CB-CG 4.44Å; M61-E69 HydrophobicContact SD-CB 4.38Å; M61-E69 PolarHBondContact SD-N 3.12Å; M61-M71 HydrophobicContact CE-CE 3.18Å; M61-M71 HydrophobicContact CE-SD 3.94Å; M61-L74 HydrophobicContact CE-CD1 3.91Å; M61-L74 HydrophobicContact SD-CD1 4.24Å
62E95.5Very high94.6Very high120 Ų12062.5 Ų62.556%0.56131%0.308SS*.Hα-helixtrans-61.8-28.7179.5-70.2173.6166.700113.4K58 C59K58-E62 WeakPolarHBondContact CE-OE1 3.4Å; K58-E62 HydrophobicContact CG-CG 4.43Å; K58-E62 IonicContact NZ-OE1 2.85Å; K58-E62 WeakPolarHBondContact O-CG 3.37Å; K58-E62 PolarHBondContact O-N 3.26Å; C59-E62 PolarHBondContact O-N 3.07Å
63N94.8Very high94.4Very high70 Ų7068.2 Ų68.237%0.37433%0.33SS..THydrogen-bonded Turntrans-101.416.7-179.3-67.4-79.7000113.6V27 C59 M61 L65V27-N63 HydrophobicContact CG1-CB 4.15Å; V27-N63 WeakPolarHBondContact CG1-OD1 3.06Å; C59-N63 WeakPolarHBondContact O-CB 3.31Å; C59-N63 PolarHBondContact O-N 3.44Å; C59-N63 VanDerWaalsContact O-N 3.09Å; C59-N63 PolarHBondContact O-ND2 3.23Å; M61-N63 PolarHBondContact O-N 3.34Å; N63-L65 HydrophobicContact CB-CD1 4.27Å; N63-L65 HydrophobicContact CB-CG 4.31Å; N63-L65 PolarHBondContact O-N 2.82Å; N63-L65 VanDerWaalsContact O-N 3.09Å
64N92.3Very high94.1Very high128 Ų12870.1 Ų70.168%0.68434%0.339SS*.THydrogen-bonded Turntrans57.223.1180-55.6-77000114.4R60 M61 M66R60-N64 PolarHBondContact O-N 3.23Å; M61-N64 PolarHBondContact O-N 3.45Å; M61-N64 VanDerWaalsContact O-N 3.16Å; N64-M66 VanDerWaalsContact C-N 3.3Å
65L93.3Very high93.9Very high19 Ų1970 Ų7010%0.09935%0.351CS..SBendtrans-88.9-3.3173.2-62.3171.9000112.2P21 D23 V27 R60 N63P21-L65 HydrophobicContact CB-CD2 4.47Å; D23-L65 HydrophobicContact CB-CD1 3.83Å; D23-L65 HydrophobicContact CB-CD2 4.31Å; V27-L65 HydrophobicContact CB-CD1 4.4Å; R60-L65 HydrophobicContact CB-CB 4.03Å; R60-L65 HydrophobicContact CG-CB 4.24Å; R60-L65 PolarHBondContact NE-O 3.38Å; R60-L65 PolarHBondContact NH2-O 2.95Å; R60-L65 VanDerWaalsContact NH2-O 3.13Å; R60-L65 CarbonylContact O-C 3.55Å; R60-L65 WeakPolarHBondContact O-CA 3.44Å; R60-L65 WeakPolarHBondContact O-CB 3.28Å; R60-L65 PolarHBondContact O-N 3.45Å; N63-L65 HydrophobicContact CB-CD1 4.27Å; N63-L65 HydrophobicContact CB-CG 4.31Å; N63-L65 PolarHBondContact O-N 2.82Å; N63-L65 VanDerWaalsContact O-N 3.09Å
66M92.2Very high93.6Very high30 Ų3065.7 Ų65.715%0.14833%0.33CS..SBendtrans-153.3145.8177.5-177.1168.7-72.800109.1F20 L57 R60 M61 N64F20-M66 HydrophobicContact CD1-CB 4.29Å; F20-M66 HydrophobicContact CD1-CG 4.1Å; F20-M66 HydrophobicContact CE1-CB 4.32Å; F20-M66 HydrophobicContact CE1-CE 4.45Å; F20-M66 HydrophobicContact CE1-CG 3.66Å; F20-M66 HydrophobicContact CZ-CG 4.5Å; L57-M66 HydrophobicContact CD2-CE 3.6Å; L57-M66 HydrophobicContact CD2-SD 3.83Å; R60-M66 HydrophobicContact CB-CB 3.84Å; R60-M66 PolarHBondContact O-N 3.19Å; R60-M66 VanDerWaalsContact O-N 3.12Å; M61-M66 HydrophobicContact CG-CB 3.99Å; M61-M66 HydrophobicContact CG-CG 3.95Å; M61-M66 HydrophobicContact CG-SD 4.2Å; N64-M66 VanDerWaalsContact C-N 3.3Å
67L90.1Very high93.1Very high105 Ų10571.8 Ų71.855%0.5536%0.358SS..  trans-63136.5171.5-174.570.9000109.6E69L67-E69 PolarHBondContact O-N 2.85Å
68E91.3Very high92.3Very high150 Ų15077 Ų7770%0.70138%0.381SS*.  trans-61.4123.2175.2-67.4-174.6177.300111M61M61-E68 HydrophobicContact CB-CG 4.44Å
69E90.9Very high91.1Very high42 Ų4279.4 Ų79.420%0.19639%0.392CS..  trans-134.1151176.6-74.1-174.4-140.400110.4K17 M61 L67 M71 L74K17-E69 VanDerWaalsContact CD-OE1 3.27Å; K17-E69 WeakPolarHBondContact CD-OE1 3.31Å; K17-E69 WeakPolarHBondContact CE-OE1 3.08Å; K17-E69 IonicContact NZ-OE1 2.74Å; K17-E69 PolarHBondContact NZ-OE1 2.04Å; K17-E69 IonicContact NZ-OE2 3.83Å; K17-E69 PolarHBondContact NZ-OE2 3.44Å; M61-E69 HydrophobicContact SD-CB 4.38Å; M61-E69 PolarHBondContact SD-N 3.12Å; L67-E69 PolarHBondContact O-N 2.85Å; E69-M71 PolarHBondContact O-N 2.89Å; E69-L74 HydrophobicContact CB-CD1 4.22Å; E69-L74 HydrophobicContact CB-CD2 4.35Å; E69-L74 HydrophobicContact CB-CG 4.15Å
70D93.5Very high89.4Confident86 Ų8682.5 Ų82.546%0.4641%0.413SS..  trans-63.5129.9173.1-171.4-18.8000109.9D72 K73 L74D70-D72 PolarHBondContact O-N 3.33Å; D70-D72 PolarHBondContact OD1-N 3.41Å; D70-K73 HydrophobicContact CB-CB 4.33Å; D70-K73 HydrophobicContact CB-CD 4.06Å; D70-K73 HydrophobicContact CB-CG 4.02Å; D70-K73 WeakPolarHBondContact O-CA 3.28Å; D70-K73 WeakPolarHBondContact O-CB 3.38Å; D70-K73 PolarHBondContact O-N 3.08Å; D70-L74 PolarHBondContact O-N 3.09Å; D70-L74 VanDerWaalsContact O-N 3.12Å
71M92.5Very high87.6Confident31 Ų3188.8 Ų88.815%0.15344%0.442CS..THydrogen-bonded Turntrans-55.1-34.8176.9-71.4-64177.500111.7K54 K58 M61 E69 K73 L74 G75 F76K54-M71 HydrophobicContact CG-CE 4.47Å; K54-M71 HydrophobicContact CG-SD 3.92Å; K58-M71 HydrophobicContact CB-CE 3.54Å; K58-M71 HydrophobicContact CD-CE 4.34Å; K58-M71 HydrophobicContact CG-CE 3.9Å; M61-M71 HydrophobicContact CE-CE 3.18Å; M61-M71 HydrophobicContact CE-SD 3.94Å; E69-M71 PolarHBondContact O-N 2.89Å; M71-K73 VanDerWaalsContact C-N 3.32Å; M71-K73 PolarHBondContact O-N 2.85Å; M71-L74 CarbonylContact O-C 3.58Å; M71-L74 PolarHBondContact O-N 3.17Å; M71-L74 HydrophobicContact SD-CD1 4.4Å; M71-G75 PolarHBondContact O-N 3.29Å; M71-F76 HydrophobicContact CB-CB 4.1Å; M71-F76 WeakPolarHBondContact O-CA 3.42Å; M71-F76 WeakPolarHBondContact O-CB 3.38Å; M71-F76 PolarHBondContact O-N 3.12Å; M71-F76 HydrophobicContact SD-CD2 4.23Å
72D93.3Very high85.9Confident77 Ų7794.6 Ų94.641%0.41247%0.473SS..THydrogen-bonded Turntrans-65.1-37176.7-73-21000112D70 L74 G75 K77D70-D72 PolarHBondContact O-N 3.33Å; D70-D72 PolarHBondContact OD1-N 3.41Å; D72-L74 VanDerWaalsContact C-N 3.33Å; D72-G75 PolarHBondContact O-N 3.4Å; D72-G75 VanDerWaalsContact O-N 3.16Å; D72-K77 WeakPolarHBondContact OD1-CA 3.33Å
73K91.8Very high84Confident168 Ų16894.6 Ų94.673%0.7347%0.473SS*.THydrogen-bonded Turntrans-70.5-30.9176.1-68179-175.3175.70112.2D70 M71 G75D70-K73 HydrophobicContact CB-CB 4.33Å; D70-K73 HydrophobicContact CB-CD 4.06Å; D70-K73 HydrophobicContact CB-CG 4.02Å; D70-K73 WeakPolarHBondContact O-CA 3.28Å; D70-K73 WeakPolarHBondContact O-CB 3.38Å; D70-K73 PolarHBondContact O-N 3.08Å; M71-K73 VanDerWaalsContact C-N 3.32Å; M71-K73 PolarHBondContact O-N 2.85Å; K73-G75 PolarHBondContact O-N 3.41Å
74L91.3Very high82.2Confident53 Ų5396.6 Ų96.628%0.27748%0.483SS..THydrogen-bonded Turntrans-77.3-2.1172.6-65.4176000113.2M61 E69 D70 M71 D72 F76M61-L74 HydrophobicContact CE-CD1 3.91Å; M61-L74 HydrophobicContact SD-CD1 4.24Å; E69-L74 HydrophobicContact CB-CD1 4.22Å; E69-L74 HydrophobicContact CB-CD2 4.35Å; E69-L74 HydrophobicContact CB-CG 4.15Å; D70-L74 PolarHBondContact O-N 3.09Å; D70-L74 VanDerWaalsContact O-N 3.12Å; M71-L74 CarbonylContact O-C 3.58Å; M71-L74 PolarHBondContact O-N 3.17Å; M71-L74 HydrophobicContact SD-CD1 4.4Å; D72-L74 VanDerWaalsContact C-N 3.33Å; L74-F76 HydrophobicContact CB-CD2 3.69Å; L74-F76 HydrophobicContact CB-CE2 3.84Å
75G92.4Very high80.4Confident45 Ų4596.9 Ų96.946%0.46448%0.484SS..THydrogen-bonded Turntrans92.211.7178.300000114.7H50 M71 D72 K73 K77H50-G75 PolarHBondContact NE2-O 3.16Å; M71-G75 PolarHBondContact O-N 3.29Å; D72-G75 PolarHBondContact O-N 3.4Å; D72-G75 VanDerWaalsContact O-N 3.16Å; K73-G75 PolarHBondContact O-N 3.41Å; G75-K77 PolarHBondContact O-N 2.95Å
76F91.5Very high78.5Confident14 Ų14104 Ų1046%0.06152%0.517CS..  trans-98.262.5177.5-58.6-83.4000111.7H50 A53 K54 L57 M71 L74 E78H50-F76 AromaticContact CD2-CD1 3.88Å; H50-F76 AromaticContact CD2-CE1 3.8Å; H50-F76 AromaticContact CE1-CD1 3.28Å; H50-F76 WeakPolarHBondContact CE1-CD1 3.49Å; H50-F76 AromaticContact CE1-CE1 3.98Å; H50-F76 AromaticContact ND1-CD1 3.84Å; H50-F76 AromaticContact NE2-CD1 3.28Å; H50-F76 VanDerWaalsContact NE2-CD1 3.28Å; H50-F76 WeakPolarHBondContact NE2-CD1 3.22Å; H50-F76 AromaticContact NE2-CE1 3.67Å; H50-F76 VanDerWaalsContact O-CE1 3.31Å; H50-F76 WeakPolarHBondContact O-CE1 3.27Å; A53-F76 HydrophobicContact CB-CE1 4.16Å; A53-F76 HydrophobicContact CB-CZ 4.1Å; K54-F76 HydrophobicContact CB-CD1 3.53Å; K54-F76 HydrophobicContact CB-CE1 3.68Å; K54-F76 HydrophobicContact CB-CG 4.12Å; K54-F76 HydrophobicContact CB-CZ 4.35Å; K54-F76 HydrophobicContact CD-CB 4.07Å; K54-F76 HydrophobicContact CD-CD1 4.19Å; K54-F76 HydrophobicContact CD-CG 4.27Å; K54-F76 HydrophobicContact CG-CB 4.23Å; K54-F76 HydrophobicContact CG-CD1 3.85Å; K54-F76 HydrophobicContact CG-CE1 4.4Å; K54-F76 HydrophobicContact CG-CG 3.94Å; L57-F76 HydrophobicContact CD1-CE2 3.48Å; L57-F76 VanDerWaalsContact CD1-CE2 3.48Å; L57-F76 HydrophobicContact CD1-CZ 3.68Å; M71-F76 HydrophobicContact CB-CB 4.1Å; M71-F76 WeakPolarHBondContact O-CA 3.42Å; M71-F76 WeakPolarHBondContact O-CB 3.38Å; M71-F76 PolarHBondContact O-N 3.12Å; M71-F76 HydrophobicContact SD-CD2 4.23Å; L74-F76 HydrophobicContact CB-CD2 3.69Å; L74-F76 HydrophobicContact CB-CE2 3.84Å; F76-E78 PolarHBondContact O-N 3.22Å
77K87.2Confident76.6Confident168 Ų168111.5 Ų111.573%0.7355%0.549SS*.  trans-62.2120.3177.2-67.5-174.4-179.6-177.50111.3D72 G75 K79D72-K77 WeakPolarHBondContact OD1-CA 3.33Å; G75-K77 PolarHBondContact O-N 2.95Å; K77-K79 PolarHBondContact O-N 3.21Å
78E78.3Confident74.6Confident144 Ų144111 Ų11167%0.67356%0.555SS**  trans-70.3114.5172.7-60.2-160.3158.800109.3K54 F76 S80K54-E78 IonicContact NZ-OE1 2.63Å; K54-E78 PolarHBondContact NZ-OE1 3.14Å; F76-E78 PolarHBondContact O-N 3.22Å; E78-S80 PolarHBondContact O-N 3.14Å; E78-S80 VanDerWaalsContact O-N 3.14Å
79K72.3Confident72.6Confident157 Ų157113.7 Ų113.768%0.68359%0.585SS**  trans-66116.3166.9-66.5-176.6-176.81770106.5K77 K81K77-K79 PolarHBondContact O-N 3.21Å; K79-K81 PolarHBondContact O-N 3.38Å
80S61.8Low71.7Confident72 Ų72117.3 Ų117.350%0.50361%0.605SS.*  trans-51.1136177.553.60000109.8E78 N82 Q83E78-S80 PolarHBondContact O-N 3.14Å; E78-S80 VanDerWaalsContact O-N 3.14Å; S80-N82 PolarHBondContact O-N 3.06Å; S80-Q83 PolarHBondContact O-N 2.87Å
81K58.2Low70.6Confident173 Ų173118.9 Ų118.975%0.75261%0.612SS**G310 helixtrans-51.2-19.7-176.5-74.3-179.6176.6177.40114.3K79 Q83 L84K79-K81 PolarHBondContact O-N 3.38Å; K81-Q83 PolarHBondContact O-N 2.86Å; K81-L84 HydrophobicContact CG-CD1 4.39Å; K81-L84 PolarHBondContact O-N 3.43Å
82N58.9Low69.4Low135 Ų135123.8 Ų123.872%0.72264%0.638SS**G310 helixtrans-58.1-25.1171.4-75.16.3000113.6S80S80-N82 PolarHBondContact O-N 3.06Å
83Q56Low68Low119 Ų119126.6 Ų126.656%0.55665%0.651SS**G310 helixtrans-91.8-9176.6-62.3-178.834.300114.1S80 K81S80-Q83 PolarHBondContact O-N 2.87Å; K81-Q83 PolarHBondContact O-N 2.86Å
84L57.5Low66.5Low112 Ų112124 Ų12459%0.58665%0.646SS**THydrogen-bonded Turntrans-85.6-23.8177.3-79.5157.1000112K81 E86K81-L84 HydrophobicContact CG-CD1 4.39Å; K81-L84 PolarHBondContact O-N 3.43Å; L84-E86 VanDerWaalsContact C-N 3.33Å; L84-E86 PolarHBondContact O-N 3.18Å
85N54.5Low64.8Low134 Ų134128.7 Ų128.772%0.71767%0.671SS**THydrogen-bonded Turntrans-80.2-6.2-177.8-71.9-9.7000114.9
86E53.4Low62.8Low168 Ų168134.7 Ų134.779%0.78569%0.685SS**THydrogen-bonded Turntrans-103.87.6178.9-70.6-176.3103.900113.7L84L84-E86 VanDerWaalsContact C-N 3.33Å; L84-E86 PolarHBondContact O-N 3.18Å
87K52.5Low60.6Low188 Ų188144 Ų14482%0.81773%0.733SS**SBendtrans-125.435.1176.3-62.4-164.7-179.7-168.30114
88S46.6Very low58.4Low96 Ų96142 Ų14267%0.67173%0.734SS**  trans-107.4123.3160.6-57.50000107.4
89P51.2Low56.6Low206 Ų206141.8 Ų141.8100%1.33874%0.739SS**  trans-54.30-176-2634.1000115.4

Retrieved 89 of 89 residues in 63.9 ms (Link to these results)