A0A077Z0V4_TRITR Loading...

Syndecan

Cell surface proteoglycan.

AlphaFold DB , UniProt , Accession A0A077Z0V4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 112 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
1D59.7Low61.9Low200 Ų200132.7 Ų132.7100%1.0781%0.813SS**  077.70-51.8-45.2000112
2F62Low62.2Low201 Ų201129.8 Ų129.888%0.88280%0.802SS**  trans-155.684155-97.4-75.3000106.9
3D65.9Low62.7Low164 Ų164130.8 Ų130.888%0.87780%0.799SS**  trans-74.2114.3161.1-101.9-40.4000107.4
4E67.4Low63Low161 Ų161130.9 Ų130.975%0.75279%0.79SS**  trans-132.764.4165.6-163.793.2-14200108.4S6E4-S6 PolarHBondContact O-N 2.8Å; E4-S6 VanDerWaalsContact O-N 3.09Å
5G58.8Low63.3Low81 Ų81132.3 Ų132.384%0.83579%0.792SS**  trans-75.671.4162.800000110.1G7G5-G7 PolarHBondContact O-N 3.22Å
6S60.6Low63.5Low81 Ų81132.9 Ų132.957%0.56679%0.79SS**  trans-85.487171.8169.10000109.9E4 K8E4-S6 PolarHBondContact O-N 2.8Å; E4-S6 VanDerWaalsContact O-N 3.09Å; S6-K8 PolarHBondContact O-N 2.93Å
7G58.6Low63.2Low71 Ų71128.9 Ų128.973%0.73278%0.783SS**  trans-59.2114.8166.100000111.5G5G5-G7 PolarHBondContact O-N 3.22Å
8K60.5Low63Low192 Ų192126.8 Ų126.884%0.83578%0.781SS**  trans-134.872.1162.1-81.3-173.3174.4173.60108.9S6S6-K8 PolarHBondContact O-N 2.93Å
9T62.5Low62.7Low149 Ų149125.7 Ų125.791%0.91478%0.779SS**  trans-113.876.2160.755.20000106.5
10G61.4Low62.5Low77 Ų77123.1 Ų123.179%0.79478%0.778SS**  trans-144.366.8-173.900000109.8
11A64.1Low62.2Low83 Ų83126.6 Ų126.669%0.68678%0.778SS**  trans-13276.2159.800000105.5D13A11-D13 VanDerWaalsContact C-N 3.29Å; A11-D13 PolarHBondContact O-N 3.38Å
12S65.7Low62.3Low98 Ų98119.8 Ų119.869%0.68576%0.755SS**  trans-74.694.3160.451.10000105.8I14S12-I14 PolarHBondContact O-N 3.47Å
13D67.6Low62.2Low143 Ų143114.9 Ų114.977%0.76574%0.743SS**  trans-67.983.1163.8-60.9-36.8000106.5A11 D15A11-D13 VanDerWaalsContact C-N 3.29Å; A11-D13 PolarHBondContact O-N 3.38Å; D13-D15 PolarHBondContact O-N 3.14Å; D13-D15 VanDerWaalsContact O-N 3.09Å
14I68.1Low62Low131 Ų131112.7 Ų112.767%0.67273%0.731SS**  trans-72.389.6157.7-73167.5000103.3S12 D16S12-I14 PolarHBondContact O-N 3.47Å; I14-D16 PolarHBondContact O-N 3.35Å
15D67.4Low61.8Low153 Ų153111.2 Ų111.282%0.81873%0.729SS**  trans-61.3109.4160.6-104.2-45.2000105.7D13 G17D13-D15 PolarHBondContact O-N 3.14Å; D13-D15 VanDerWaalsContact O-N 3.09Å; D15-G17 PolarHBondContact O-N 2.73Å
16D66.1Low62Low141 Ų141115.4 Ų115.475%0.75473%0.727SS**  trans-60.683.5160.3-67.8-43.9000106.5I14 A18I14-D16 PolarHBondContact O-N 3.35Å; D16-A18 PolarHBondContact O-N 2.71Å
17G58.9Low62.1Low65 Ų65117.4 Ų117.467%0.6773%0.731SS**  trans-63.368.2156.500000107.6D15 S19D15-G17 PolarHBondContact O-N 2.73Å; G17-S19 PolarHBondContact O-N 2.83Å
18A59.4Low62.2Low92 Ų92116.4 Ų116.476%0.7671%0.712SS**  trans-65.375.1155.700000105.4D16 G20D16-A18 PolarHBondContact O-N 2.71Å; A18-G20 PolarHBondContact O-N 2.98Å
19S57.2Low62.4Low106 Ų106112 Ų11274%0.74170%0.698SS**  trans-56.986.5150.545.70000105.3G17 Y21G17-S19 PolarHBondContact O-N 2.83Å; S19-Y21 PolarHBondContact O-N 2.96Å
20G59.5Low62.4Low73 Ų73112.4 Ų112.475%0.75369%0.688SS**  trans-63.274.616000000107A18 G22A18-G20 PolarHBondContact O-N 2.98Å; G20-G22 PolarHBondContact O-N 3.08Å
21Y54.6Low62.5Low197 Ų197111.4 Ų111.477%0.77367%0.672SS**  trans-69.374.3158.2-164.9-96.1000104.6S19 P23S19-Y21 PolarHBondContact O-N 2.96Å; Y21-P23 WeakPolarHBondContact O-CD 3.12Å
22G61.4Low62.2Low57 Ų57116.4 Ų116.459%0.58867%0.673SS**  trans-69.9111.4172.400000106.1G20 D24G20-G22 PolarHBondContact O-N 3.08Å; G22-D24 PolarHBondContact O-N 2.78Å
23P61.3Low62.4Low97 Ų97116.3 Ų116.363%0.6367%0.665SS**  trans-63.4111.3174.125.1-30.2000108Y21 D25Y21-P23 WeakPolarHBondContact O-CD 3.12Å; P23-D25 PolarHBondContact O-N 3.34Å
24D61.3Low62.4Low119 Ų119112 Ų11264%0.63665%0.646SS**  trans16.781.5138.3-29.5-34.5000113.3G22 E26G22-D24 PolarHBondContact O-N 2.78Å; D24-E26 PolarHBondContact O-N 3.14Å; D24-E26 VanDerWaalsContact O-N 3.11Å
25D62.8Low62.6Low130 Ų130109.9 Ų109.970%0.69564%0.642SS**THydrogen-bonded Turntrans-712.6-176.943.5-48.9000114.4P23 S28P23-D25 PolarHBondContact O-N 3.34Å; D25-S28 PolarHBondContact O-OG 3.19Å; D25-S28 VanDerWaalsContact O-OG 3.09Å
26E63.1Low63.2Low169 Ų169110.6 Ų110.679%0.7963%0.633SS**Hα-helixtrans-77.1-21.8-174.7-62.5-158.3171.500115.2D24D24-E26 PolarHBondContact O-N 3.14Å; D24-E26 VanDerWaalsContact O-N 3.11Å
27D61.9Low63.7Low123 Ų123111.2 Ų111.266%0.65863%0.629SS**Hα-helixtrans-80.6-28.7-178.370.2-23000113F30 A31D27-F30 PolarHBondContact O-N 2.68Å; D27-A31 PolarHBondContact O-N 3.5Å
28S62.4Low64.7Low49 Ų49112.7 Ų112.734%0.34363%0.625SS.*Hα-helixtrans-64.4-46.8178.773.40000110.9D25 F30 A31 W32D25-S28 PolarHBondContact O-OG 3.19Å; D25-S28 VanDerWaalsContact O-OG 3.09Å; S28-F30 VanDerWaalsContact C-N 3.27Å; S28-F30 PolarHBondContact O-N 2.86Å; S28-A31 PolarHBondContact O-N 2.62Å; S28-A31 VanDerWaalsContact O-N 3.14Å; S28-W32 PolarHBondContact O-N 3.17Å
29D63.1Low65.7Low101 Ų101111.6 Ų111.654%0.5461%0.612SS.*Hα-helixtrans-57-41177-81.8-14.9000111.3W32 N33D29-W32 PolarHBondContact O-N 3.23Å; D29-N33 WeakPolarHBondContact O-CA 3.28Å; D29-N33 WeakPolarHBondContact O-CB 3.46Å; D29-N33 PolarHBondContact O-N 2.82Å; D29-N33 PolarHBondContact O-ND2 2.82Å
30F64.2Low67.1Low157 Ų157111.5 Ų111.569%0.68960%0.598SS**Hα-helixtrans-67.1-39.8179-168.8-97.7000112.8D27 S28 N33 S34D27-F30 PolarHBondContact O-N 2.68Å; S28-F30 VanDerWaalsContact C-N 3.27Å; S28-F30 PolarHBondContact O-N 2.86Å; F30-N33 PolarHBondContact O-N 3.28Å; F30-S34 WeakPolarHBondContact O-CB 3.42Å; F30-S34 PolarHBondContact O-N 2.95Å; F30-S34 PolarHBondContact O-OG 3.15Å
31A62Low68.5Low56 Ų56109.7 Ų109.746%0.46358%0.58SS.*Hα-helixtrans-66.1-41175.100000111.9D27 S28 S34 C35D27-A31 PolarHBondContact O-N 3.5Å; S28-A31 PolarHBondContact O-N 2.62Å; S28-A31 VanDerWaalsContact O-N 3.14Å; A31-S34 WeakPolarHBondContact CA-OG 3.49Å; A31-S34 PolarHBondContact O-OG 3.39Å; A31-C35 WeakPolarHBondContact O-CB 3.48Å; A31-C35 PolarHBondContact O-N 2.61Å
32W57.8Low70.1Confident187 Ų187104.1 Ų104.171%0.70857%0.566SS**Hα-helixtrans-66.7-43.6173.7-77.1105.4000111.7S28 D29 S34 C35 W36S28-W32 PolarHBondContact O-N 3.17Å; D29-W32 PolarHBondContact O-N 3.23Å; W32-S34 VanDerWaalsContact C-N 3.32Å; W32-S34 PolarHBondContact O-N 3.16Å; W32-C35 PolarHBondContact O-N 2.54Å; W32-W36 VanDerWaalsContact O-CB 3.27Å; W32-W36 WeakPolarHBondContact O-CB 2.88Å; W32-W36 PolarHBondContact O-N 2.94Å
33N69.8Low71.4Confident97 Ų97106.7 Ų106.752%0.51956%0.564SS.*Hα-helixtrans-64.6-36.5178.5-72.8-32.8000111.4D29 F30 F37D29-N33 WeakPolarHBondContact O-CA 3.28Å; D29-N33 WeakPolarHBondContact O-CB 3.46Å; D29-N33 PolarHBondContact O-N 2.82Å; D29-N33 PolarHBondContact O-ND2 2.82Å; F30-N33 PolarHBondContact O-N 3.28Å; N33-F37 WeakPolarHBondContact O-CA 2.98Å; N33-F37 WeakPolarHBondContact O-CB 3.21Å; N33-F37 PolarHBondContact O-N 2.99Å
34S68.7Low72.7Confident53 Ų53107.3 Ų107.337%0.37156%0.558SS.*Hα-helixtrans-73.9-41.2174.952.90000112.1F30 A31 W32 W36 F37 V38F30-S34 WeakPolarHBondContact O-CB 3.42Å; F30-S34 PolarHBondContact O-N 2.95Å; F30-S34 PolarHBondContact O-OG 3.15Å; A31-S34 WeakPolarHBondContact CA-OG 3.49Å; A31-S34 PolarHBondContact O-OG 3.39Å; W32-S34 VanDerWaalsContact C-N 3.32Å; W32-S34 PolarHBondContact O-N 3.16Å; S34-W36 VanDerWaalsContact C-N 3.34Å; S34-W36 PolarHBondContact O-N 3.48Å; S34-F37 PolarHBondContact O-N 3.42Å; S34-V38 WeakPolarHBondContact O-CG2 3.45Å; S34-V38 PolarHBondContact O-N 2.83Å
35C72.7Confident74.1Confident85 Ų85107.5 Ų107.557%0.57455%0.554SS**Hα-helixtrans-60.7-44.6173-169.60000111.2A31 W32 V38 S39A31-C35 WeakPolarHBondContact O-CB 3.48Å; A31-C35 PolarHBondContact O-N 2.61Å; W32-C35 PolarHBondContact O-N 2.54Å; C35-V38 PolarHBondContact O-N 2.68Å; C35-S39 WeakPolarHBondContact O-CB 3.02Å; C35-S39 PolarHBondContact O-N 3.47Å
36W78.5Confident75.5Confident169 Ų169105 Ų10564%0.6454%0.54SS*.Hα-helixtrans-70.4-35176.6-159.977.6000112W32 S34 S39 F40W32-W36 VanDerWaalsContact O-CB 3.27Å; W32-W36 WeakPolarHBondContact O-CB 2.88Å; W32-W36 PolarHBondContact O-N 2.94Å; S34-W36 VanDerWaalsContact C-N 3.34Å; S34-W36 PolarHBondContact O-N 3.48Å; W36-S39 PolarHBondContact O-N 2.68Å; W36-F40 HydrophobicContact CD2-CB 4.32Å; W36-F40 HydrophobicContact CE3-CB 4.18Å; W36-F40 HydrophobicContact CE3-CG 4.47Å; W36-F40 AromaticContact CH2-CD2 3.56Å; W36-F40 HydrophobicContact CH2-CD2 3.56Å; W36-F40 AromaticContact CH2-CE2 3.94Å; W36-F40 HydrophobicContact CH2-CE2 3.94Å; W36-F40 HydrophobicContact CH2-CG 4.16Å; W36-F40 AromaticContact CZ2-CD2 3.85Å; W36-F40 HydrophobicContact CZ2-CD2 3.85Å; W36-F40 HydrophobicContact CZ2-CE2 4.45Å; W36-F40 HydrophobicContact CZ3-CB 4.31Å; W36-F40 AromaticContact CZ3-CD2 3.98Å; W36-F40 HydrophobicContact CZ3-CD2 3.98Å; W36-F40 HydrophobicContact CZ3-CG 4.1Å; W36-F40 WeakPolarHBondContact O-CA 3.24Å; W36-F40 WeakPolarHBondContact O-CB 3.36Å; W36-F40 PolarHBondContact O-N 2.81Å
37F77.6Confident76.8Confident153 Ų153101.4 Ų101.467%0.67153%0.525SS*.Hα-helixtrans-64.5-41.8174.3-176.8-98.3000111.9N33 S34 G41N33-F37 WeakPolarHBondContact O-CA 2.98Å; N33-F37 WeakPolarHBondContact O-CB 3.21Å; N33-F37 PolarHBondContact O-N 2.99Å; S34-F37 PolarHBondContact O-N 3.42Å; F37-G41 WeakPolarHBondContact O-CA 3.48Å; F37-G41 PolarHBondContact O-N 2.84Å
38V80.1Confident78.3Confident97 Ų97101.3 Ų101.359%0.58852%0.519SS*.Hα-helixtrans-64.5-47.2173.1174.50000110.1S34 C35 G41 V42S34-V38 WeakPolarHBondContact O-CG2 3.45Å; S34-V38 PolarHBondContact O-N 2.83Å; C35-V38 PolarHBondContact O-N 2.68Å; V38-G41 PolarHBondContact O-N 3.38Å; V38-V42 WeakPolarHBondContact O-CB 3.1Å; V38-V42 VanDerWaalsContact O-CG2 3.25Å; V38-V42 WeakPolarHBondContact O-CG2 3.19Å; V38-V42 PolarHBondContact O-N 2.89Å
39S80.4Confident79.8Confident68 Ų68102.4 Ų102.448%0.47652%0.519SS..Hα-helixtrans-64.9-43.2-179.3-154.30000112.5C35 W36 V42 M43C35-S39 WeakPolarHBondContact O-CB 3.02Å; C35-S39 PolarHBondContact O-N 3.47Å; W36-S39 PolarHBondContact O-N 2.68Å; S39-V42 PolarHBondContact O-N 3.42Å; S39-M43 WeakPolarHBondContact O-CB 3.28Å; S39-M43 VanDerWaalsContact O-CG 3.26Å; S39-M43 WeakPolarHBondContact O-CG 3.47Å; S39-M43 PolarHBondContact O-N 3.22Å
40F86Confident81.2Confident105 Ų105102.1 Ų102.146%0.46152%0.517SS..Hα-helixtrans-67.3-42.9176.6-174.7-97.4000111.3W36 M43 Q44W36-F40 HydrophobicContact CD2-CB 4.32Å; W36-F40 HydrophobicContact CE3-CB 4.18Å; W36-F40 HydrophobicContact CE3-CG 4.47Å; W36-F40 AromaticContact CH2-CD2 3.56Å; W36-F40 HydrophobicContact CH2-CD2 3.56Å; W36-F40 AromaticContact CH2-CE2 3.94Å; W36-F40 HydrophobicContact CH2-CE2 3.94Å; W36-F40 HydrophobicContact CH2-CG 4.16Å; W36-F40 AromaticContact CZ2-CD2 3.85Å; W36-F40 HydrophobicContact CZ2-CD2 3.85Å; W36-F40 HydrophobicContact CZ2-CE2 4.45Å; W36-F40 HydrophobicContact CZ3-CB 4.31Å; W36-F40 AromaticContact CZ3-CD2 3.98Å; W36-F40 HydrophobicContact CZ3-CD2 3.98Å; W36-F40 HydrophobicContact CZ3-CG 4.1Å; W36-F40 WeakPolarHBondContact O-CA 3.24Å; W36-F40 WeakPolarHBondContact O-CB 3.36Å; W36-F40 PolarHBondContact O-N 2.81Å; F40-M43 PolarHBondContact O-N 3.45Å; F40-Q44 VanDerWaalsContact O-CB 3.25Å; F40-Q44 WeakPolarHBondContact O-CB 3.05Å; F40-Q44 PolarHBondContact O-N 2.81Å
41G87.9Confident82.5Confident35 Ų3598.7 Ų98.736%0.36151%0.505SS..Hα-helixtrans-61.7-45175.400000112.1F37 V38 Q44 F45F37-G41 WeakPolarHBondContact O-CA 3.48Å; F37-G41 PolarHBondContact O-N 2.84Å; V38-G41 PolarHBondContact O-N 3.38Å; G41-Q44 PolarHBondContact O-N 2.67Å; G41-F45 VanDerWaalsContact O-CB 3.29Å; G41-F45 WeakPolarHBondContact O-CB 2.83Å; G41-F45 PolarHBondContact O-N 3.26Å
42V89Confident84Confident79 Ų7999.5 Ų99.548%0.47950%0.501SS..Hα-helixtrans-63-46174.5171.40000110.8V38 S39 Q44 F45 I46V38-V42 WeakPolarHBondContact O-CB 3.1Å; V38-V42 VanDerWaalsContact O-CG2 3.25Å; V38-V42 WeakPolarHBondContact O-CG2 3.19Å; V38-V42 PolarHBondContact O-N 2.89Å; S39-V42 PolarHBondContact O-N 3.42Å; V42-Q44 PolarHBondContact O-N 3.48Å; V42-F45 PolarHBondContact O-N 2.83Å; V42-I46 HydrophobicContact CG1-CD1 3.71Å; V42-I46 HydrophobicContact CG1-CG1 4.41Å; V42-I46 VanDerWaalsContact O-CG1 3.23Å; V42-I46 WeakPolarHBondContact O-CG1 3.33Å; V42-I46 PolarHBondContact O-N 3.3Å
43M88.4Confident85.7Confident112 Ų11295.7 Ų95.755%0.55249%0.493SS*.Hα-helixtrans-61.9-43.9177.6-77.1-71.4-95.400112.2S39 F40 I46 I47S39-M43 WeakPolarHBondContact O-CB 3.28Å; S39-M43 VanDerWaalsContact O-CG 3.26Å; S39-M43 WeakPolarHBondContact O-CG 3.47Å; S39-M43 PolarHBondContact O-N 3.22Å; F40-M43 PolarHBondContact O-N 3.45Å; M43-I46 PolarHBondContact O-N 3.1Å; M43-I47 WeakPolarHBondContact O-CB 3.14Å; M43-I47 WeakPolarHBondContact O-CD1 3.34Å; M43-I47 WeakPolarHBondContact O-CG1 3.29Å; M43-I47 PolarHBondContact O-N 2.84Å
44Q89.4Confident86.8Confident110 Ų11095.5 Ų95.551%0.51449%0.491SS..Hα-helixtrans-66-40.5178.6-158.4-99.938.200111.1F40 G41 V42 I47 F48F40-Q44 VanDerWaalsContact O-CB 3.25Å; F40-Q44 WeakPolarHBondContact O-CB 3.05Å; F40-Q44 PolarHBondContact O-N 2.81Å; G41-Q44 PolarHBondContact O-N 2.67Å; V42-Q44 PolarHBondContact O-N 3.48Å; Q44-I47 PolarHBondContact O-N 3.45Å; Q44-F48 WeakPolarHBondContact O-CB 3.03Å; Q44-F48 PolarHBondContact O-N 2.93Å
45F91.2Very high87.9Confident123 Ų12397 Ų9754%0.53950%0.498SS..Hα-helixtrans-61.1-45.2173.2-175.2-98.7000112G41 V42 F48 M49G41-F45 VanDerWaalsContact O-CB 3.29Å; G41-F45 WeakPolarHBondContact O-CB 2.83Å; G41-F45 PolarHBondContact O-N 3.26Å; V42-F45 PolarHBondContact O-N 2.83Å; F45-F48 PolarHBondContact O-N 2.77Å; F45-M49 HydrophobicContact CD1-CG 4.2Å; F45-M49 HydrophobicContact CE1-CG 3.88Å; F45-M49 HydrophobicContact CE2-CE 3.88Å; F45-M49 HydrophobicContact CZ-CE 3.83Å; F45-M49 HydrophobicContact CZ-CG 4.12Å; F45-M49 HydrophobicContact CZ-SD 4.3Å; F45-M49 WeakPolarHBondContact O-CB 3.49Å; F45-M49 VanDerWaalsContact O-CG 3.27Å; F45-M49 WeakPolarHBondContact O-CG 2.86Å; F45-M49 PolarHBondContact O-N 3.48Å
46I91Very high88.9Confident78 Ų7895.7 Ų95.740%0.449%0.493SS..Hα-helixtrans-61.8-45.6176.1-68.5165.2000110.7V42 M43 F48 M49 I50V42-I46 HydrophobicContact CG1-CD1 3.71Å; V42-I46 HydrophobicContact CG1-CG1 4.41Å; V42-I46 VanDerWaalsContact O-CG1 3.23Å; V42-I46 WeakPolarHBondContact O-CG1 3.33Å; V42-I46 PolarHBondContact O-N 3.3Å; M43-I46 PolarHBondContact O-N 3.1Å; I46-F48 VanDerWaalsContact C-N 3.35Å; I46-F48 PolarHBondContact O-N 3.47Å; I46-M49 PolarHBondContact O-N 3.38Å; I46-I50 HydrophobicContact CG2-CD1 3.83Å; I46-I50 HydrophobicContact CG2-CG1 4.47Å; I46-I50 VanDerWaalsContact O-CG1 3.32Å; I46-I50 WeakPolarHBondContact O-CG1 3.19Å; I46-I50 PolarHBondContact O-N 3.4Å
47I91.7Very high89.6Confident92 Ų9292.3 Ų92.347%0.47249%0.491SS..Hα-helixtrans-60.6-45.2177.5-69.5163.2000110.7M43 Q44 M49 I50 I51M43-I47 WeakPolarHBondContact O-CB 3.14Å; M43-I47 WeakPolarHBondContact O-CD1 3.34Å; M43-I47 WeakPolarHBondContact O-CG1 3.29Å; M43-I47 PolarHBondContact O-N 2.84Å; Q44-I47 PolarHBondContact O-N 3.45Å; I47-M49 VanDerWaalsContact C-N 3.34Å; I47-M49 PolarHBondContact O-N 2.95Å; I47-I50 PolarHBondContact O-N 3.32Å; I47-I51 HydrophobicContact CG2-CD1 3.83Å; I47-I51 WeakPolarHBondContact O-CG1 3.29Å; I47-I51 PolarHBondContact O-N 3.48Å
48F91.9Very high90.4Very high121 Ų12190.4 Ų90.453%0.53149%0.487SS..Hα-helixtrans-61.4-43177.8-169.3-108.1000111.6Q44 F45 I46 I51 I52Q44-F48 WeakPolarHBondContact O-CB 3.03Å; Q44-F48 PolarHBondContact O-N 2.93Å; F45-F48 PolarHBondContact O-N 2.77Å; I46-F48 VanDerWaalsContact C-N 3.35Å; I46-F48 PolarHBondContact O-N 3.47Å; F48-I51 PolarHBondContact O-N 2.74Å; F48-I52 HydrophobicContact CD1-CD1 3.5Å; F48-I52 HydrophobicContact CD1-CG1 4.42Å; F48-I52 HydrophobicContact CE1-CD1 3.37Å; F48-I52 HydrophobicContact CE1-CG1 4.28Å; F48-I52 HydrophobicContact CG-CD1 4.32Å; F48-I52 HydrophobicContact CZ-CD1 4.07Å; F48-I52 VanDerWaalsContact O-CG1 3.3Å; F48-I52 WeakPolarHBondContact O-CG1 3.38Å; F48-I52 PolarHBondContact O-N 3.19Å
49M94.1Very high91.1Very high72 Ų7287.4 Ų87.436%0.35548%0.476SS..Hα-helixtrans-61.5-43.5174.8-72.2-68.7127.500112.4F45 I46 I47 I51 I52 I53F45-M49 HydrophobicContact CD1-CG 4.2Å; F45-M49 HydrophobicContact CE1-CG 3.88Å; F45-M49 HydrophobicContact CE2-CE 3.88Å; F45-M49 HydrophobicContact CZ-CE 3.83Å; F45-M49 HydrophobicContact CZ-CG 4.12Å; F45-M49 HydrophobicContact CZ-SD 4.3Å; F45-M49 WeakPolarHBondContact O-CB 3.49Å; F45-M49 VanDerWaalsContact O-CG 3.27Å; F45-M49 WeakPolarHBondContact O-CG 2.86Å; F45-M49 PolarHBondContact O-N 3.48Å; I46-M49 PolarHBondContact O-N 3.38Å; I47-M49 VanDerWaalsContact C-N 3.34Å; I47-M49 PolarHBondContact O-N 2.95Å; M49-I51 PolarHBondContact O-N 3Å; M49-I52 HydrophobicContact CE-CD1 3.95Å; M49-I52 PolarHBondContact O-N 2.69Å; M49-I53 VanDerWaalsContact O-CG1 3.31Å; M49-I53 WeakPolarHBondContact O-CG1 3.47Å; M49-I53 PolarHBondContact O-N 3.09Å
50I92.2Very high91.8Very high96 Ų9686.1 Ų86.149%0.49247%0.473SS..Hα-helixtrans-61.7-46177.3-68.8165.6000110.7I46 I47 I52 I53 I54I46-I50 HydrophobicContact CG2-CD1 3.83Å; I46-I50 HydrophobicContact CG2-CG1 4.47Å; I46-I50 VanDerWaalsContact O-CG1 3.32Å; I46-I50 WeakPolarHBondContact O-CG1 3.19Å; I46-I50 PolarHBondContact O-N 3.4Å; I47-I50 PolarHBondContact O-N 3.32Å; I50-I52 VanDerWaalsContact C-N 3.31Å; I50-I52 PolarHBondContact O-N 2.85Å; I50-I53 PolarHBondContact O-N 3.2Å; I50-I54 PolarHBondContact O-N 3.47Å; I50-I54 VanDerWaalsContact O-N 3.09Å
51I93.1Very high92.2Very high85 Ų8584.5 Ų84.544%0.43648%0.475SS..Hα-helixtrans-61.9-40178.4-67168000111I47 F48 M49 I53 I54 T55I47-I51 HydrophobicContact CG2-CD1 3.83Å; I47-I51 WeakPolarHBondContact O-CG1 3.29Å; I47-I51 PolarHBondContact O-N 3.48Å; F48-I51 PolarHBondContact O-N 2.74Å; M49-I51 PolarHBondContact O-N 3Å; I51-I53 PolarHBondContact O-N 3.39Å; I51-I54 WeakPolarHBondContact O-CG1 2.88Å; I51-T55 VanDerWaalsContact O-CB 3.26Å; I51-T55 WeakPolarHBondContact O-CB 3.31Å; I51-T55 PolarHBondContact O-N 3.42Å; I51-T55 PolarHBondContact O-OG1 3.27Å
52I91.6Very high92.6Very high73 Ų7386.9 Ų86.937%0.37448%0.482SS..Hα-helixtrans-60.4-47.1175.5-72.5163.6000110.6F48 M49 I50 T55 A56F48-I52 HydrophobicContact CD1-CD1 3.5Å; F48-I52 HydrophobicContact CD1-CG1 4.42Å; F48-I52 HydrophobicContact CE1-CD1 3.37Å; F48-I52 HydrophobicContact CE1-CG1 4.28Å; F48-I52 HydrophobicContact CG-CD1 4.32Å; F48-I52 HydrophobicContact CZ-CD1 4.07Å; F48-I52 VanDerWaalsContact O-CG1 3.3Å; F48-I52 WeakPolarHBondContact O-CG1 3.38Å; F48-I52 PolarHBondContact O-N 3.19Å; M49-I52 HydrophobicContact CE-CD1 3.95Å; M49-I52 PolarHBondContact O-N 2.69Å; I50-I52 VanDerWaalsContact C-N 3.31Å; I50-I52 PolarHBondContact O-N 2.85Å; I52-T55 PolarHBondContact O-N 2.96Å; I52-A56 VanDerWaalsContact O-CB 3.23Å; I52-A56 WeakPolarHBondContact O-CB 3.25Å; I52-A56 PolarHBondContact O-N 2.79Å
53I93.5Very high93Very high107 Ų10787.4 Ų87.455%0.54949%0.485SS..Hα-helixtrans-63.7-47.6-176.3-66.1164000110.8M49 I50 I51 T55 A56 V57M49-I53 VanDerWaalsContact O-CG1 3.31Å; M49-I53 WeakPolarHBondContact O-CG1 3.47Å; M49-I53 PolarHBondContact O-N 3.09Å; I50-I53 PolarHBondContact O-N 3.2Å; I51-I53 PolarHBondContact O-N 3.39Å; I53-T55 VanDerWaalsContact C-N 3.27Å; I53-T55 PolarHBondContact O-N 3.06Å; I53-A56 PolarHBondContact O-N 3.36Å; I53-V57 WeakPolarHBondContact O-CG2 3.17Å; I53-V57 PolarHBondContact O-N 3.44Å
54I93.7Very high93.3Very high92 Ų9283.8 Ų83.847%0.47248%0.477SS..Hα-helixtrans-61.4-40.2178.164.3178.1000111.1I50 I51 V57 I58I50-I54 PolarHBondContact O-N 3.47Å; I50-I54 VanDerWaalsContact O-N 3.09Å; I51-I54 WeakPolarHBondContact O-CG1 2.88Å; I54-V57 PolarHBondContact O-N 2.76Å; I54-I58 VanDerWaalsContact O-CG1 3.3Å; I54-I58 WeakPolarHBondContact O-CG1 3.28Å; I54-I58 PolarHBondContact O-N 2.78Å
55T92.8Very high93.7Very high84 Ų8483.7 Ų83.752%0.51548%0.479SS..Hα-helixtrans-68.4-40.6-179.9-56.50000110.5I51 I52 I53 I58 G59I51-T55 VanDerWaalsContact O-CB 3.26Å; I51-T55 WeakPolarHBondContact O-CB 3.31Å; I51-T55 PolarHBondContact O-N 3.42Å; I51-T55 PolarHBondContact O-OG1 3.27Å; I52-T55 PolarHBondContact O-N 2.96Å; I53-T55 VanDerWaalsContact C-N 3.27Å; I53-T55 PolarHBondContact O-N 3.06Å; T55-I58 PolarHBondContact O-N 2.99Å; T55-G59 WeakPolarHBondContact O-CA 3.35Å; T55-G59 PolarHBondContact O-N 3.36Å
56A92.8Very high93.9Very high59 Ų5982.9 Ų82.949%0.48848%0.48SS..Hα-helixtrans-66.8-36.7177.900000112.1I52 I53 G60I52-A56 VanDerWaalsContact O-CB 3.23Å; I52-A56 WeakPolarHBondContact O-CB 3.25Å; I52-A56 PolarHBondContact O-N 2.79Å; I53-A56 PolarHBondContact O-N 3.36Å; A56-G60 WeakPolarHBondContact O-CA 3.23Å; A56-G60 PolarHBondContact O-N 3.5Å
57V93.8Very high94.1Very high98 Ų9882.6 Ų82.659%0.59448%0.482SS*.Hα-helixtrans-68.3-47.3175.7172.70000110.6I53 I54 S61I53-V57 WeakPolarHBondContact O-CG2 3.17Å; I53-V57 PolarHBondContact O-N 3.44Å; I54-V57 PolarHBondContact O-N 2.76Å; V57-S61 VanDerWaalsContact O-CB 3.23Å; V57-S61 WeakPolarHBondContact O-CB 3.14Å; V57-S61 PolarHBondContact O-N 2.69Å; V57-S61 PolarHBondContact O-OG 3.5Å
58I94.7Very high94.2Very high113 Ų11380 Ų8058%0.57947%0.474SS*.Hα-helixtrans-68.1-54-179-63164.6000110I54 T55 G60 S61 V62I54-I58 VanDerWaalsContact O-CG1 3.3Å; I54-I58 WeakPolarHBondContact O-CG1 3.28Å; I54-I58 PolarHBondContact O-N 2.78Å; T55-I58 PolarHBondContact O-N 2.99Å; I58-G60 VanDerWaalsContact C-N 3.34Å; I58-G60 PolarHBondContact O-N 3.21Å; I58-S61 PolarHBondContact O-N 3.05Å; I58-S61 PolarHBondContact O-OG 3.06Å; I58-V62 PolarHBondContact O-N 2.94Å
59G94.1Very high94.3Very high34 Ų3478.3 Ų78.335%0.35147%0.47SS..Hα-helixtrans-61.9-41.2178.100000112.4T55 S61 V62 V63T55-G59 WeakPolarHBondContact O-CA 3.35Å; T55-G59 PolarHBondContact O-N 3.36Å; G59-S61 VanDerWaalsContact C-N 3.34Å; G59-S61 PolarHBondContact O-N 3.28Å; G59-V62 PolarHBondContact O-N 3.3Å; G59-V63 WeakPolarHBondContact O-CB 3.36Å; G59-V63 VanDerWaalsContact O-CG2 3.29Å; G59-V63 WeakPolarHBondContact O-CG2 3.3Å; G59-V63 PolarHBondContact O-N 2.97Å
60G94.6Very high94Very high41 Ų4180.6 Ų80.642%0.42348%0.483SS..Hα-helixtrans-65.7-33.9175.700000112.9A56 I58 G64A56-G60 WeakPolarHBondContact O-CA 3.23Å; A56-G60 PolarHBondContact O-N 3.5Å; I58-G60 VanDerWaalsContact C-N 3.34Å; I58-G60 PolarHBondContact O-N 3.21Å; G60-G64 VanDerWaalsContact O-CA 3.28Å; G60-G64 WeakPolarHBondContact O-CA 3.46Å; G60-G64 PolarHBondContact O-N 3.43Å
61S95.2Very high93.8Very high71 Ų7180.7 Ų80.750%0.49748%0.484SS..Hα-helixtrans-67.1-42.7175.473.80000112V57 I58 G59 L65V57-S61 VanDerWaalsContact O-CB 3.23Å; V57-S61 WeakPolarHBondContact O-CB 3.14Å; V57-S61 PolarHBondContact O-N 2.69Å; V57-S61 PolarHBondContact O-OG 3.5Å; I58-S61 PolarHBondContact O-N 3.05Å; I58-S61 PolarHBondContact O-OG 3.06Å; G59-S61 VanDerWaalsContact C-N 3.34Å; G59-S61 PolarHBondContact O-N 3.28Å; S61-L65 WeakPolarHBondContact O-CB 3.29Å; S61-L65 PolarHBondContact O-N 3.26Å
62V96.5Very high93.7Very high84 Ų8481.9 Ų81.951%0.50949%0.49SS..Hα-helixtrans-67.5-50.2179178.20000110.3I58 G59 L65 L66I58-V62 PolarHBondContact O-N 2.94Å; G59-V62 PolarHBondContact O-N 3.3Å; V62-L65 PolarHBondContact O-N 2.89Å; V62-L66 WeakPolarHBondContact O-CG 3.29Å; V62-L66 PolarHBondContact O-N 3.28Å; V62-L66 VanDerWaalsContact O-N 3.1Å
63V96.3Very high93.4Very high90 Ų9082.3 Ų82.355%0.54550%0.496SS..Hα-helixtrans-64-43.6178176.30000110.7G59 L65 L66 V67G59-V63 WeakPolarHBondContact O-CB 3.36Å; G59-V63 VanDerWaalsContact O-CG2 3.29Å; G59-V63 WeakPolarHBondContact O-CG2 3.3Å; G59-V63 PolarHBondContact O-N 2.97Å; V63-L65 PolarHBondContact O-N 3.32Å; V63-L66 PolarHBondContact O-N 3.47Å; V63-V67 HydrophobicContact CG1-CG2 4.42Å; V63-V67 VanDerWaalsContact O-CG2 3.29Å; V63-V67 WeakPolarHBondContact O-CG2 3.36Å; V63-V67 PolarHBondContact O-N 3.32Å
64G96.1Very high92.8Very high37 Ų3781 Ų8138%0.38149%0.49SS..Hα-helixtrans-63.6-38.117800000112.7G60 V67 A68G60-G64 VanDerWaalsContact O-CA 3.28Å; G60-G64 WeakPolarHBondContact O-CA 3.46Å; G60-G64 PolarHBondContact O-N 3.43Å; G64-V67 PolarHBondContact O-N 3.46Å; G64-A68 WeakPolarHBondContact O-CB 3.31Å; G64-A68 PolarHBondContact O-N 2.9Å
65L95.8Very high92.4Very high108 Ų10879.9 Ų79.957%0.56549%0.487SS*.Hα-helixtrans-66.1-43.4175-17664.9000111.4S61 V62 V63 A68 I69S61-L65 WeakPolarHBondContact O-CB 3.29Å; S61-L65 PolarHBondContact O-N 3.26Å; V62-L65 PolarHBondContact O-N 2.89Å; V63-L65 PolarHBondContact O-N 3.32Å; L65-A68 PolarHBondContact O-N 2.93Å; L65-I69 HydrophobicContact CD1-CD1 4.36Å; L65-I69 HydrophobicContact CG-CD1 4.04Å; L65-I69 VanDerWaalsContact O-CG1 3.25Å; L65-I69 WeakPolarHBondContact O-CG1 3.32Å; L65-I69 PolarHBondContact O-N 2.9Å
66L96.2Very high91.9Very high105 Ų10580 Ų8055%0.5549%0.488SS..Hα-helixtrans-61.8-45.6175.5-67.8174.1000111.3V62 V63 A68 I69 L70V62-L66 WeakPolarHBondContact O-CG 3.29Å; V62-L66 PolarHBondContact O-N 3.28Å; V62-L66 VanDerWaalsContact O-N 3.1Å; V63-L66 PolarHBondContact O-N 3.47Å; L66-A68 VanDerWaalsContact C-N 3.34Å; L66-A68 PolarHBondContact O-N 3.35Å; L66-I69 PolarHBondContact O-N 3.33Å; L66-L70 WeakPolarHBondContact O-CG 3.46Å; L66-L70 PolarHBondContact O-N 3.45Å
67V95.3Very high91.2Very high72 Ų7282.9 Ų82.944%0.43649%0.487SS..Hα-helixtrans-63.5-39.5175.4174.10000111.1V63 G64 L70 L71V63-V67 HydrophobicContact CG1-CG2 4.42Å; V63-V67 VanDerWaalsContact O-CG2 3.29Å; V63-V67 WeakPolarHBondContact O-CG2 3.36Å; V63-V67 PolarHBondContact O-N 3.32Å; G64-V67 PolarHBondContact O-N 3.46Å; V67-L70 PolarHBondContact O-N 2.93Å; V67-L71 HydrophobicContact CG1-CD1 4.22Å; V67-L71 HydrophobicContact CG1-CG 4.39Å; V67-L71 WeakPolarHBondContact O-CB 3.26Å; V67-L71 WeakPolarHBondContact O-CG 3.1Å; V67-L71 PolarHBondContact O-N 2.82Å
68A94.7Very high90.1Very high39 Ų3983.1 Ų83.132%0.32248%0.477SS..Hα-helixtrans-64.4-44.1177.200000111.6G64 L65 L66 L70 L71 I72G64-A68 WeakPolarHBondContact O-CB 3.31Å; G64-A68 PolarHBondContact O-N 2.9Å; L65-A68 PolarHBondContact O-N 2.93Å; L66-A68 VanDerWaalsContact C-N 3.34Å; L66-A68 PolarHBondContact O-N 3.35Å; A68-L70 VanDerWaalsContact C-N 3.32Å; A68-L70 PolarHBondContact O-N 3.35Å; A68-L71 PolarHBondContact O-N 3.49Å; A68-I72 WeakPolarHBondContact O-CD1 3.48Å; A68-I72 VanDerWaalsContact O-CG1 3.24Å; A68-I72 WeakPolarHBondContact O-CG1 3.2Å; A68-I72 PolarHBondContact O-N 2.86Å
69I92.6Very high88.7Confident85 Ų8584.7 Ų84.744%0.43648%0.484SS..Hα-helixtrans-63.3-41.3175.6-65.7163.4000110.4L65 L66 I72 T73L65-I69 HydrophobicContact CD1-CD1 4.36Å; L65-I69 HydrophobicContact CG-CD1 4.04Å; L65-I69 VanDerWaalsContact O-CG1 3.25Å; L65-I69 WeakPolarHBondContact O-CG1 3.32Å; L65-I69 PolarHBondContact O-N 2.9Å; L66-I69 PolarHBondContact O-N 3.33Å; I69-I72 PolarHBondContact O-N 3.49Å; I69-T73 VanDerWaalsContact O-CB 3.29Å; I69-T73 WeakPolarHBondContact O-CB 3.23Å; I69-T73 PolarHBondContact O-N 2.9Å; I69-T73 PolarHBondContact O-OG1 2.79Å
70L88.4Confident87.2Confident120 Ų12093.1 Ų93.163%0.62851%0.505SS*.Hα-helixtrans-63.3-40.9174.3-73.9175000111.5L66 V67 A68 L74L66-L70 WeakPolarHBondContact O-CG 3.46Å; L66-L70 PolarHBondContact O-N 3.45Å; V67-L70 PolarHBondContact O-N 2.93Å; A68-L70 VanDerWaalsContact C-N 3.32Å; A68-L70 PolarHBondContact O-N 3.35Å; L70-L74 VanDerWaalsContact O-CA 3.31Å; L70-L74 WeakPolarHBondContact O-CA 3.27Å; L70-L74 WeakPolarHBondContact O-CB 3.37Å; L70-L74 PolarHBondContact O-N 2.92Å
71L88.4Confident85.5Confident97 Ų9794.9 Ų94.951%0.50850%0.501SS..Hα-helixtrans-68.8-39.4176.6-75.6177.8000112.2V67 A68 L74 V75V67-L71 HydrophobicContact CG1-CD1 4.22Å; V67-L71 HydrophobicContact CG1-CG 4.39Å; V67-L71 WeakPolarHBondContact O-CB 3.26Å; V67-L71 WeakPolarHBondContact O-CG 3.1Å; V67-L71 PolarHBondContact O-N 2.82Å; A68-L71 PolarHBondContact O-N 3.49Å; L71-L74 CarbonylContact O-C 3.54Å; L71-L74 PolarHBondContact O-N 3.44Å; L71-V75 WeakPolarHBondContact O-CA 3.32Å; L71-V75 WeakPolarHBondContact O-CB 3.26Å; L71-V75 WeakPolarHBondContact O-CG2 3.37Å; L71-V75 PolarHBondContact O-N 3.47Å
72I90.2Very high83.5Confident110 Ų11095.2 Ų95.256%0.56449%0.493SS*.Hα-helixtrans-64.7-51.5175.6-68.3161.3000109.5A68 I69 L74 V75 V76A68-I72 WeakPolarHBondContact O-CD1 3.48Å; A68-I72 VanDerWaalsContact O-CG1 3.24Å; A68-I72 WeakPolarHBondContact O-CG1 3.2Å; A68-I72 PolarHBondContact O-N 2.86Å; I69-I72 PolarHBondContact O-N 3.49Å; I72-L74 VanDerWaalsContact C-N 3.29Å; I72-L74 PolarHBondContact O-N 2.69Å; I72-V75 PolarHBondContact O-N 3.32Å; I72-V75 VanDerWaalsContact O-N 3.15Å; I72-V76 WeakPolarHBondContact O-CB 3.49Å; I72-V76 WeakPolarHBondContact O-CG2 3.3Å; I72-V76 PolarHBondContact O-N 3.49Å
73T85.7Confident81.4Confident83 Ų8397.4 Ų97.451%0.50950%0.502SS..Hα-helixtrans-61.4-43.3177.2-52.60000109.7I69 V75 V76 Y77I69-T73 VanDerWaalsContact O-CB 3.29Å; I69-T73 WeakPolarHBondContact O-CB 3.23Å; I69-T73 PolarHBondContact O-N 2.9Å; I69-T73 PolarHBondContact O-OG1 2.79Å; T73-V75 PolarHBondContact O-N 2.96Å; T73-V76 PolarHBondContact O-N 3.31Å; T73-Y77 WeakPolarHBondContact O-CA 3.34Å; T73-Y77 WeakPolarHBondContact O-CB 3.23Å; T73-Y77 PolarHBondContact O-N 3.44Å
74L81Confident79.6Confident80 Ų8098.7 Ų98.742%0.41950%0.502SS..Hα-helixtrans-63.8-39.5176-177.5156.2000110.3L70 L71 I72 Y77 R78L70-L74 VanDerWaalsContact O-CA 3.31Å; L70-L74 WeakPolarHBondContact O-CA 3.27Å; L70-L74 WeakPolarHBondContact O-CB 3.37Å; L70-L74 PolarHBondContact O-N 2.92Å; L71-L74 CarbonylContact O-C 3.54Å; L71-L74 PolarHBondContact O-N 3.44Å; I72-L74 VanDerWaalsContact C-N 3.29Å; I72-L74 PolarHBondContact O-N 2.69Å; L74-Y77 CarbonylContact O-C 3.35Å; L74-R78 HydrophobicContact CD2-CB 4.31Å; L74-R78 HydrophobicContact CD2-CG 3.42Å; L74-R78 VanDerWaalsContact CD2-CG 3.42Å; L74-R78 HydrophobicContact CG-CG 3.97Å; L74-R78 VanDerWaalsContact O-CA 3.28Å; L74-R78 WeakPolarHBondContact O-CA 3.25Å; L74-R78 WeakPolarHBondContact O-CB 3.29Å; L74-R78 WeakPolarHBondContact O-CG 3.44Å; L74-R78 PolarHBondContact O-N 2.77Å
75V85.2Confident77.6Confident67 Ų67100.4 Ų100.441%0.40652%0.52SS..Hα-helixtrans-70.1-44.6179.2165.40000110.4L71 I72 T73 R78 M79L71-V75 WeakPolarHBondContact O-CA 3.32Å; L71-V75 WeakPolarHBondContact O-CB 3.26Å; L71-V75 WeakPolarHBondContact O-CG2 3.37Å; L71-V75 PolarHBondContact O-N 3.47Å; I72-V75 PolarHBondContact O-N 3.32Å; I72-V75 VanDerWaalsContact O-N 3.15Å; T73-V75 PolarHBondContact O-N 2.96Å; V75-R78 CarbonylContact O-C 3.57Å; V75-R78 PolarHBondContact O-N 2.95Å; V75-M79 HydrophobicContact CG1-SD 4.39Å; V75-M79 WeakPolarHBondContact O-CB 3.45Å; V75-M79 VanDerWaalsContact O-CG 3.28Å; V75-M79 WeakPolarHBondContact O-CG 3.48Å; V75-M79 PolarHBondContact O-N 2.94Å
76V81.9Confident75.4Confident88 Ų8898.5 Ų98.553%0.53352%0.516SS..Hα-helixtrans-65.9-45.4174.7172.90000110.5I72 T73 R78 M79 R80I72-V76 WeakPolarHBondContact O-CB 3.49Å; I72-V76 WeakPolarHBondContact O-CG2 3.3Å; I72-V76 PolarHBondContact O-N 3.49Å; T73-V76 PolarHBondContact O-N 3.31Å; V76-R78 VanDerWaalsContact C-N 3.33Å; V76-R78 PolarHBondContact O-N 2.77Å; V76-M79 CarbonylContact O-C 3.48Å; V76-M79 PolarHBondContact O-N 2.81Å; V76-M79 VanDerWaalsContact O-N 3.14Å; V76-R80 WeakPolarHBondContact O-CB 3.25Å; V76-R80 WeakPolarHBondContact O-CG 3.42Å; V76-R80 PolarHBondContact O-N 3.31Å
77Y77.5Confident73Confident118 Ų118102.5 Ų102.546%0.46353%0.525SS..Hα-helixtrans-62-42.7174.7179.1-98.1000110.5T73 L74 R80 K81T73-Y77 WeakPolarHBondContact O-CA 3.34Å; T73-Y77 WeakPolarHBondContact O-CB 3.23Å; T73-Y77 PolarHBondContact O-N 3.44Å; L74-Y77 CarbonylContact O-C 3.35Å; Y77-R80 CarbonylContact O-C 3.59Å; Y77-R80 WeakPolarHBondContact O-CA 3Å; Y77-R80 PolarHBondContact O-N 2.87Å; Y77-R80 VanDerWaalsContact O-N 3.17Å; Y77-K81 HydrophobicContact CD1-CB 4.23Å; Y77-K81 HydrophobicContact CD2-CD 4.18Å; Y77-K81 HydrophobicContact CD2-CG 4.17Å; Y77-K81 HydrophobicContact CE1-CB 4Å; Y77-K81 HydrophobicContact CE1-CD 4.06Å; Y77-K81 HydrophobicContact CE1-CG 4.33Å; Y77-K81 HydrophobicContact CE2-CB 4.47Å; Y77-K81 HydrophobicContact CE2-CD 3.43Å; Y77-K81 VanDerWaalsContact CE2-CD 3.43Å; Y77-K81 HydrophobicContact CE2-CG 3.91Å; Y77-K81 VanDerWaalsContact O-CA 3.29Å; Y77-K81 WeakPolarHBondContact O-CA 3.32Å; Y77-K81 WeakPolarHBondContact O-CB 3.36Å; Y77-K81 PolarHBondContact O-N 2.72Å; Y77-K81 WeakPolarHBondContact OH-CD 3.5Å; Y77-K81 PolarHBondContact OH-NZ 2.89Å
78R72.8Confident70.9Confident103 Ų103101.9 Ų101.939%0.38953%0.528SS..Hα-helixtrans-66.7-39.5173.5-87.5-65.6-124.9129.7-9.5108.6L74 V75 V76 R80 K81 K82L74-R78 HydrophobicContact CD2-CB 4.31Å; L74-R78 HydrophobicContact CD2-CG 3.42Å; L74-R78 VanDerWaalsContact CD2-CG 3.42Å; L74-R78 HydrophobicContact CG-CG 3.97Å; L74-R78 VanDerWaalsContact O-CA 3.28Å; L74-R78 WeakPolarHBondContact O-CA 3.25Å; L74-R78 WeakPolarHBondContact O-CB 3.29Å; L74-R78 WeakPolarHBondContact O-CG 3.44Å; L74-R78 PolarHBondContact O-N 2.77Å; V75-R78 CarbonylContact O-C 3.57Å; V75-R78 PolarHBondContact O-N 2.95Å; V76-R78 VanDerWaalsContact C-N 3.33Å; V76-R78 PolarHBondContact O-N 2.77Å; R78-R80 PolarHBondContact O-N 3.45Å; R78-K81 CarbonylContact O-C 3.59Å; R78-K81 PolarHBondContact O-N 3.39Å; R78-K82 VanDerWaalsContact CA-CG 3.43Å; R78-K82 HydrophobicContact CB-CB 4.34Å; R78-K82 HydrophobicContact CB-CD 3.71Å; R78-K82 HydrophobicContact CB-CG 3.12Å; R78-K82 VanDerWaalsContact CB-NZ 3.33Å; R78-K82 VanDerWaalsContact CD-CE 3.49Å; R78-K82 HydrophobicContact CG-CD 4Å; R78-K82 HydrophobicContact CG-CG 3.67Å; R78-K82 VanDerWaalsContact NE-CE 3.32Å; R78-K82 WeakPolarHBondContact O-CA 3.27Å; R78-K82 WeakPolarHBondContact O-CB 3.39Å; R78-K82 WeakPolarHBondContact O-CG 3.47Å; R78-K82 PolarHBondContact O-N 3.09Å
79M63.5Low68.8Low147 Ų147108 Ų10872%0.72455%0.554SS**Hα-helixtrans-67.3-25.1174.2-73-17972.800112.2V75 V76V75-M79 HydrophobicContact CG1-SD 4.39Å; V75-M79 WeakPolarHBondContact O-CB 3.45Å; V75-M79 VanDerWaalsContact O-CG 3.28Å; V75-M79 WeakPolarHBondContact O-CG 3.48Å; V75-M79 PolarHBondContact O-N 2.94Å; V76-M79 CarbonylContact O-C 3.48Å; V76-M79 PolarHBondContact O-N 2.81Å; V76-M79 VanDerWaalsContact O-N 3.14Å
80R62.8Low66.6Low211 Ų211110.4 Ų110.480%0.79657%0.568SS**Hα-helixtrans-86.9-22.1172.2-75.2-86.4-179.7143.7-3.5113.9V76 Y77 R78V76-R80 WeakPolarHBondContact O-CB 3.25Å; V76-R80 WeakPolarHBondContact O-CG 3.42Å; V76-R80 PolarHBondContact O-N 3.31Å; Y77-R80 CarbonylContact O-C 3.59Å; Y77-R80 WeakPolarHBondContact O-CA 3Å; Y77-R80 PolarHBondContact O-N 2.87Å; Y77-R80 VanDerWaalsContact O-N 3.17Å; R78-R80 PolarHBondContact O-N 3.45Å
81K58.7Low64.7Low77 Ų77113.1 Ų113.134%0.33558%0.577SS.*Hα-helixtrans-1453.9-167.4-57.6-145.5-162.91710116.2Y77 R78 D83 E84Y77-K81 HydrophobicContact CD1-CB 4.23Å; Y77-K81 HydrophobicContact CD2-CD 4.18Å; Y77-K81 HydrophobicContact CD2-CG 4.17Å; Y77-K81 HydrophobicContact CE1-CB 4Å; Y77-K81 HydrophobicContact CE1-CD 4.06Å; Y77-K81 HydrophobicContact CE1-CG 4.33Å; Y77-K81 HydrophobicContact CE2-CB 4.47Å; Y77-K81 HydrophobicContact CE2-CD 3.43Å; Y77-K81 VanDerWaalsContact CE2-CD 3.43Å; Y77-K81 HydrophobicContact CE2-CG 3.91Å; Y77-K81 VanDerWaalsContact O-CA 3.29Å; Y77-K81 WeakPolarHBondContact O-CA 3.32Å; Y77-K81 WeakPolarHBondContact O-CB 3.36Å; Y77-K81 PolarHBondContact O-N 2.72Å; Y77-K81 WeakPolarHBondContact OH-CD 3.5Å; Y77-K81 PolarHBondContact OH-NZ 2.89Å; R78-K81 CarbonylContact O-C 3.59Å; R78-K81 PolarHBondContact O-N 3.39Å; K81-D83 PolarHBondContact O-N 3.14Å; K81-D83 VanDerWaalsContact O-N 3.16Å; K81-E84 PolarHBondContact O-N 3.27Å
82K53.7Low62.5Low79 Ų79113.5 Ų113.534%0.34359%0.588SS.*Hα-helixtrans-57.2-25.8168.7-74.9-130.7155.587.10108.4R78 E84 S86R78-K82 VanDerWaalsContact CA-CG 3.43Å; R78-K82 HydrophobicContact CB-CB 4.34Å; R78-K82 HydrophobicContact CB-CD 3.71Å; R78-K82 HydrophobicContact CB-CG 3.12Å; R78-K82 VanDerWaalsContact CB-NZ 3.33Å; R78-K82 VanDerWaalsContact CD-CE 3.49Å; R78-K82 HydrophobicContact CG-CD 4Å; R78-K82 HydrophobicContact CG-CG 3.67Å; R78-K82 VanDerWaalsContact NE-CE 3.32Å; R78-K82 WeakPolarHBondContact O-CA 3.27Å; R78-K82 WeakPolarHBondContact O-CB 3.39Å; R78-K82 WeakPolarHBondContact O-CG 3.47Å; R78-K82 PolarHBondContact O-N 3.09Å; K82-E84 VanDerWaalsContact C-N 3.32Å; K82-S86 PolarHBondContact O-N 2.87Å
83D53Low60.4Low130 Ų130117.1 Ų117.170%0.69560%0.599SS**Hα-helixtrans-79.1-12.7178.1-53.1-20.6000112.7K81K81-D83 PolarHBondContact O-N 3.14Å; K81-D83 VanDerWaalsContact O-N 3.16Å
84E58.9Low58.6Low116 Ų116119.1 Ų119.154%0.54261%0.612SS.*Hα-helixtrans-94.4-26.1176.4-66.3-176-17100113.2K81 K82 Y87K81-E84 PolarHBondContact O-N 3.27Å; K82-E84 VanDerWaalsContact C-N 3.32Å; E84-Y87 WeakPolarHBondContact O-CD2 3.35Å; E84-Y87 WeakPolarHBondContact O-CE2 3.1Å
85G54.2Low56.8Low73 Ų73120 Ų12075%0.75362%0.622SS**Hα-helixtrans-101.8-24.3-175.600000114.3Y87G85-Y87 VanDerWaalsContact C-N 3.34Å
86S48.4Very low54.9Low68 Ų68123.4 Ų123.448%0.47665%0.645SS.*  trans-102.560.3169.5-166.90000109K82 A88K82-S86 PolarHBondContact O-N 2.87Å; S86-A88 PolarHBondContact O-N 3.18Å
87Y47.2Very low53.1Low189 Ų189121.8 Ų121.874%0.74164%0.641SS**  trans-63.155.1139.4-64.8-82.5000108.5E84 G85 L89E84-Y87 WeakPolarHBondContact O-CD2 3.35Å; E84-Y87 WeakPolarHBondContact O-CE2 3.1Å; G85-Y87 VanDerWaalsContact C-N 3.34Å; Y87-L89 PolarHBondContact O-N 3.11Å
88A49.2Very low51.5Low60 Ų60126 Ų12650%0.49666%0.658SS.*  trans-65.899.315000000102.3S86 D90S86-A88 PolarHBondContact O-N 3.18Å; A88-D90 PolarHBondContact O-N 3.34Å
89L50.9Low50.3Low167 Ų167127.3 Ų127.387%0.87468%0.68SS**  trans-54.18.6169.4-164.377.5000112.5Y87 E91Y87-L89 PolarHBondContact O-N 3.11Å; L89-E91 PolarHBondContact O-N 3.04Å
90D47.2Very low49.5Very low136 Ų136128.5 Ų128.573%0.72768%0.678SS**SBendtrans-94.889179.9-72.6-49.9000109A88 S92A88-D90 PolarHBondContact O-N 3.34Å; D90-S92 PolarHBondContact O-N 3.03Å
91E47.6Very low48.6Very low177 Ų177122.6 Ų122.683%0.82767%0.673SS**  47.239.3129-15177-151.500116.2L89 K93L89-E91 PolarHBondContact O-N 3.04Å; E91-K93 PolarHBondContact O-N 2.76Å; E91-K93 VanDerWaalsContact O-N 3.08Å
92S43.6Very low48Very low104 Ų104126.7 Ų126.773%0.72769%0.688SS**  trans-8577.3157.967.70000107.5D90 T94D90-S92 PolarHBondContact O-N 3.03Å; S92-T94 PolarHBondContact O-N 2.78Å
93K45.9Very low47.8Very low187 Ų187131.6 Ų131.681%0.81371%0.712SS**  trans-38.6116.6144.8-158.7171.679.5-168.10106.1E91E91-K93 PolarHBondContact O-N 2.76Å; E91-K93 VanDerWaalsContact O-N 3.08Å
94T47.7Very low47.8Very low125 Ų125133.3 Ų133.377%0.76771%0.713SS**  trans-25.5134.1-169.9-37.20000114.4S92S92-T94 PolarHBondContact O-N 2.78Å
95P43.5Very low47.7Very low98 Ų98131.8 Ų131.864%0.63672%0.72SS**  trans-59157.5-176.123.7-34000113.6A97P95-A97 PolarHBondContact O-N 2.72Å
96P44.3Very low47.9Very low138 Ų138133.9 Ų133.990%0.89672%0.721SS**SBendtrans-81.382.8-166.834.3-34.4000111.4
97A44.3Very low48.1Very low54 Ų54135.3 Ų135.345%0.44673%0.727SS.*  trans-163.9115.7163.300000103.9P95P95-A97 PolarHBondContact O-N 2.72Å
98Y44.2Very low48.5Very low207 Ų207135.8 Ų135.881%0.81273%0.727SS**  cis-161.9153.947.1-55.2-89.6000106.7Y100Y98-Y100 PolarHBondContact O-N 2.9Å
99P47.6Very low49.2Very low131 Ų131142 Ų14285%0.85175%0.746SS**  trans-79.139.9-168.836.4-38000113.1A101P99-A101 PolarHBondContact O-N 2.74Å; P99-A101 VanDerWaalsContact O-N 3.14Å
100Y46.8Very low49.6Very low172 Ų172142.2 Ų142.268%0.67574%0.74SS**  trans-89.767.7164-116.1-75000108.3Y98 Y102Y98-Y100 PolarHBondContact O-N 2.9Å; Y100-Y102 HydrophobicContact CD1-CD1 4.23Å; Y100-Y102 AromaticContact CD1-CD2 3.14Å; Y100-Y102 HydrophobicContact CD1-CD2 3.14Å; Y100-Y102 HydrophobicContact CD1-CE1 4.11Å; Y100-Y102 AromaticContact CD1-CE2 2.98Å; Y100-Y102 HydrophobicContact CD1-CE2 2.98Å; Y100-Y102 AromaticContact CD1-CG 3.77Å; Y100-Y102 HydrophobicContact CD1-CG 3.77Å; Y100-Y102 AromaticContact CD1-CZ 3.51Å; Y100-Y102 HydrophobicContact CE1-CD1 4.23Å; Y100-Y102 AromaticContact CE1-CD2 3.79Å; Y100-Y102 HydrophobicContact CE1-CD2 3.79Å; Y100-Y102 AromaticContact CE1-CE1 3.75Å; Y100-Y102 HydrophobicContact CE1-CE1 3.75Å; Y100-Y102 AromaticContact CE1-CE2 3.24Å; Y100-Y102 HydrophobicContact CE1-CE2 3.24Å; Y100-Y102 HydrophobicContact CE1-CG 4.24Å; Y100-Y102 AromaticContact CE1-CZ 3.2Å; Y100-Y102 WeakPolarHBondContact CE1-OH 3.07Å; Y100-Y102 AromaticContact CG-CD2 3.89Å; Y100-Y102 HydrophobicContact CG-CD2 3.89Å; Y100-Y102 AromaticContact CG-CE2 3.7Å; Y100-Y102 HydrophobicContact CG-CE2 3.7Å; Y100-Y102 PolarHBondContact O-N 3.07Å
101A44.8Very low50.3Low86 Ų86147.2 Ų147.271%0.71175%0.75SS**  trans-52.881.5145.900000106.6P99 H103P99-A101 PolarHBondContact O-N 2.74Å; P99-A101 VanDerWaalsContact O-N 3.14Å; A101-H103 PolarHBondContact O-N 3.09Å
102Y46.2Very low51.1Low163 Ų163146.5 Ų146.564%0.63978%0.775SS**  trans-66.484.3163.2-99.3-75.7000105Y100 K104Y100-Y102 HydrophobicContact CD1-CD1 4.23Å; Y100-Y102 AromaticContact CD1-CD2 3.14Å; Y100-Y102 HydrophobicContact CD1-CD2 3.14Å; Y100-Y102 HydrophobicContact CD1-CE1 4.11Å; Y100-Y102 AromaticContact CD1-CE2 2.98Å; Y100-Y102 HydrophobicContact CD1-CE2 2.98Å; Y100-Y102 AromaticContact CD1-CG 3.77Å; Y100-Y102 HydrophobicContact CD1-CG 3.77Å; Y100-Y102 AromaticContact CD1-CZ 3.51Å; Y100-Y102 HydrophobicContact CE1-CD1 4.23Å; Y100-Y102 AromaticContact CE1-CD2 3.79Å; Y100-Y102 HydrophobicContact CE1-CD2 3.79Å; Y100-Y102 AromaticContact CE1-CE1 3.75Å; Y100-Y102 HydrophobicContact CE1-CE1 3.75Å; Y100-Y102 AromaticContact CE1-CE2 3.24Å; Y100-Y102 HydrophobicContact CE1-CE2 3.24Å; Y100-Y102 HydrophobicContact CE1-CG 4.24Å; Y100-Y102 AromaticContact CE1-CZ 3.2Å; Y100-Y102 WeakPolarHBondContact CE1-OH 3.07Å; Y100-Y102 AromaticContact CG-CD2 3.89Å; Y100-Y102 HydrophobicContact CG-CD2 3.89Å; Y100-Y102 AromaticContact CG-CE2 3.7Å; Y100-Y102 HydrophobicContact CG-CE2 3.7Å; Y100-Y102 PolarHBondContact O-N 3.07Å; Y102-K104 PolarHBondContact O-N 2.73Å
103H49.1Very low51.5Low182 Ų182148.6 Ų148.684%0.84378%0.777SS**  trans-64.436.6170-160.9-63.7000110.9A101A101-H103 PolarHBondContact O-N 3.09Å
104K52.1Low51.7Low166 Ų166146.6 Ų146.672%0.72278%0.775SS**  trans-113.288.9166.3-60.9-152-168.3-163.90104.7Y102 P106Y102-K104 PolarHBondContact O-N 2.73Å; K104-P106 WeakPolarHBondContact O-CD 3.15Å
105A57.2Low52Low84 Ų84147.8 Ų147.869%0.69478%0.776SS**  trans-72.6101.5142.500000105.1T107A105-T107 HydrophobicContact CB-CG2 4.32Å; A105-T107 PolarHBondContact O-N 3.23Å
106P58.3Low52.5Low117 Ų117150.7 Ų150.776%0.7678%0.784SS**  trans-77.484.9163.92.321.9000103.5K104 R108K104-P106 WeakPolarHBondContact O-CD 3.15Å; P106-R108 PolarHBondContact O-N 2.86Å
107T52.7Low53Low98 Ų98151.5 Ų151.560%0.60178%0.777SS**  trans-53.8139.2169610000107.7A105A105-T107 HydrophobicContact CB-CG2 4.32Å; A105-T107 PolarHBondContact O-N 3.23Å
108R56.5Low53.6Low200 Ų200158 Ų15876%0.75580%0.799SS**  trans86.467.4159.8-42.4176.7-152.7-1452.9115.6P106 F110P106-R108 PolarHBondContact O-N 2.86Å; R108-F110 VanDerWaalsContact C-N 3.26Å; R108-F110 HydrophobicContact CB-CD2 4.11Å; R108-F110 PolarHBondContact O-N 3.23Å
109E62.7Low54.2Low189 Ų189154.5 Ų154.588%0.88380%0.798SS**  trans-7395.6136.650.8-165.5169.600107.3Y111E109-Y111 PolarHBondContact O-N 3.21Å
110F58.9Low54.7Low173 Ų173156.3 Ų156.376%0.75979%0.794SS**  trans-65.7116172.3-117.7-95.5000107.8R108 A112R108-F110 VanDerWaalsContact C-N 3.26Å; R108-F110 HydrophobicContact CB-CD2 4.11Å; R108-F110 PolarHBondContact O-N 3.23Å; F110-A112 PolarHBondContact O-N 3.09Å
111Y61.8Low55.4Low240 Ų240155 Ų15594%0.94180%0.804SS**  trans-71.5111.3157.8-102.6-97.7000107.3E109E109-Y111 PolarHBondContact O-N 3.21Å
112A64.6Low56.4Low162 Ų162161.3 Ų161.3100%1.33981%0.812SS**  trans-133.60160.100000107.4F110F110-A112 PolarHBondContact O-N 3.09Å

Retrieved 112 of 112 residues in 100.7 ms (Link to these results)