A0A077ZJW8_TRITR Loading...

NADH-ubiquinone oxidoreductase chain 3

AlphaFold DB , UniProt , Accession A0A077ZJW8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 115 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
1M44.9Very low50.2Low232 Ų232125.5 Ų125.5100%1.14372%0.722SS**  0-360-79.8179.1157.800114.1
2L44.7Very low50.6Low159 Ų159128.8 Ų128.883%0.83272%0.722SS**  trans-81-18.4179.1-82.6148.4000116
3S47.8Very low51.6Low104 Ų104128.1 Ų128.173%0.72771%0.713SS**Hα-helixtrans-80.4-23.8-176.9-172.70000114.5
4G46.9Very low52.1Low51 Ų51126.2 Ų126.253%0.52671%0.709SS.*Hα-helixtrans-74.8-27.6-177.300000114.9
5V56Low52.8Low96 Ų96121.1 Ų121.158%0.58269%0.69SS**Hα-helixtrans-75.9-30.6-175.4-175.40000111.6T8 V9V5-T8 PolarHBondContact O-OG1 3.25Å; V5-V9 WeakPolarHBondContact O-CG2 3.18Å
6I53.4Low53.6Low134 Ų134126.2 Ų126.269%0.68769%0.694SS**Hα-helixtrans-72-33.5179.1-65.2163.9000110.8T8 G10I6-T8 PolarHBondContact O-N 3.04Å; I6-G10 PolarHBondContact O-N 2.92Å
7F49.9Very low55Low181 Ų181126.1 Ų126.179%0.79469%0.691SS**Hα-helixtrans-71.7-29-178.2-148.1-97.5000113.1
8T54Low56Low113 Ų113127.8 Ų127.869%0.69369%0.69SS**Hα-helixtrans-82.9-22.8179.349.80000114.2V5 I6V5-T8 PolarHBondContact O-OG1 3.25Å; I6-T8 PolarHBondContact O-N 3.04Å
9V55.1Low57.3Low109 Ų109129.7 Ų129.766%0.66169%0.688SS**Hα-helixtrans-93.9-25.8-174.2-179.50000112.5V5V5-V9 WeakPolarHBondContact O-CG2 3.18Å
10G48.3Very low58.5Low47 Ų47126.1 Ų126.149%0.48567%0.674SS.*SBendtrans-79.3-21.3-164.800000119I6I6-G10 PolarHBondContact O-N 2.92Å
11L51.7Low59.8Low155 Ų155126.4 Ų126.481%0.81267%0.669SS**SBendtrans-132.416-161.4-91.9153.3000117.9
12K54.7Low61.6Low165 Ų165119.7 Ų119.772%0.71764%0.638SS**  trans-112.239.5175.6-95.4-179.7176.41780114.7A15K12-A15 HydrophobicContact CG-CB 4.37Å
13I63.7Low63.5Low119 Ų119115.9 Ų115.961%0.6162%0.618SS**Hα-helixtrans-73.1-36-179.3-80.1129.4000115.3
14P58.9Low65.6Low102 Ų102116 Ų11666%0.66261%0.609SS**Hα-helixtrans-78.6-20.3174.328.9-33000113.6
15A62.5Low67.7Low50 Ų50117.5 Ų117.541%0.41361%0.605SS.*Hα-helixtrans-73.9-32.3178.800000112.6K12 I17 K18 Y19K12-A15 HydrophobicContact CG-CB 4.37Å; A15-I17 VanDerWaalsContact C-N 3.34Å; A15-I17 PolarHBondContact O-N 2.96Å; A15-K18 PolarHBondContact O-N 3.01Å; A15-Y19 PolarHBondContact O-N 2.85Å; A15-Y19 VanDerWaalsContact O-N 3.07Å
16R64.9Low69.4Low202 Ų202117.4 Ų117.476%0.76260%0.6SS**Hα-helixtrans-60.9-40.2178.8-99.4-170.9173.8153.7-0.3112.9Y19 S20R16-Y19 PolarHBondContact O-N 3.11Å; R16-S20 WeakPolarHBondContact O-CB 3.31Å; R16-S20 PolarHBondContact O-N 2.99Å; R16-S20 PolarHBondContact O-OG 3.41Å
17I77.2Confident71.2Confident124 Ų124114.4 Ų114.464%0.63659%0.59SS**Hα-helixtrans-69.3-38.5-179.2-81.5155.5000112.2A15 S20 F21A15-I17 VanDerWaalsContact C-N 3.34Å; A15-I17 PolarHBondContact O-N 2.96Å; I17-S20 PolarHBondContact O-OG 3.12Å; I17-F21 PolarHBondContact O-N 3.26Å
18K73.7Confident73.1Confident157 Ų157109.3 Ų109.368%0.68358%0.576SS**Hα-helixtrans-68.9-37.8174.6-70.5-169.8177.4-176.10112A15 N22A15-K18 PolarHBondContact O-N 3.01Å; K18-N22 PolarHBondContact O-N 3.39Å; K18-N22 PolarHBondContact O-ND2 2.99Å
19Y81.4Confident74.9Confident165 Ų165109.4 Ų109.465%0.64757%0.572SS**Hα-helixtrans-71.2-40.1179.6-159.6-98.8000112.1A15 R16 F21 N22 L23A15-Y19 PolarHBondContact O-N 2.85Å; A15-Y19 VanDerWaalsContact O-N 3.07Å; R16-Y19 PolarHBondContact O-N 3.11Å; Y19-F21 VanDerWaalsContact C-N 3.33Å; Y19-F21 PolarHBondContact O-N 3.22Å; Y19-N22 PolarHBondContact O-N 2.88Å; Y19-L23 HydrophobicContact CD1-CD1 3.52Å; Y19-L23 HydrophobicContact CD1-CG 4.02Å; Y19-L23 HydrophobicContact CE1-CD1 3.55Å; Y19-L23 HydrophobicContact CE1-CD2 4.3Å; Y19-L23 HydrophobicContact CE1-CG 3.88Å; Y19-L23 WeakPolarHBondContact O-CG 3.47Å; Y19-L23 PolarHBondContact O-N 2.99Å
20S79.9Confident76.6Confident57 Ų57108.3 Ų108.340%0.39956%0.561SS.*Hα-helixtrans-63-39176.161.80000112.1R16 I17 L23 I24R16-S20 WeakPolarHBondContact O-CB 3.31Å; R16-S20 PolarHBondContact O-N 2.99Å; R16-S20 PolarHBondContact O-OG 3.41Å; I17-S20 PolarHBondContact O-OG 3.12Å; S20-L23 PolarHBondContact O-N 3.01Å; S20-I24 WeakPolarHBondContact O-CD1 3.39Å; S20-I24 VanDerWaalsContact O-CG1 3.26Å; S20-I24 WeakPolarHBondContact O-CG1 3.41Å; S20-I24 PolarHBondContact O-N 3.36Å; S20-I24 VanDerWaalsContact O-N 3.1Å
21F86.2Confident78.7Confident132 Ų132110.8 Ų110.858%0.57956%0.563SS**Hα-helixtrans-64.9-44175.9-171.8-102.4000112.9I17 Y19 L23 I24 L25I17-F21 PolarHBondContact O-N 3.26Å; Y19-F21 VanDerWaalsContact C-N 3.33Å; Y19-F21 PolarHBondContact O-N 3.22Å; F21-L23 PolarHBondContact O-N 3.36Å; F21-I24 PolarHBondContact O-N 3.46Å; F21-L25 HydrophobicContact CD1-CD1 3.91Å; F21-L25 HydrophobicContact CE1-CD1 3.55Å; F21-L25 HydrophobicContact CE1-CG 4.23Å; F21-L25 HydrophobicContact CZ-CD1 4.25Å; F21-L25 PolarHBondContact O-N 2.94Å; F21-L25 VanDerWaalsContact O-N 3.12Å
22N82.8Confident80.5Confident91 Ų91109.4 Ų109.449%0.48755%0.551SS.*Hα-helixtrans-63.6-39.6176-79.3-72.3000112.3K18 Y19 I24 L25 I26K18-N22 PolarHBondContact O-N 3.39Å; K18-N22 PolarHBondContact O-ND2 2.99Å; Y19-N22 PolarHBondContact O-N 2.88Å; N22-I24 PolarHBondContact O-N 3.39Å; N22-L25 PolarHBondContact O-N 3.24Å; N22-I26 WeakPolarHBondContact O-CD1 3.4Å; N22-I26 VanDerWaalsContact O-CG1 3.31Å; N22-I26 WeakPolarHBondContact O-CG1 3.31Å; N22-I26 PolarHBondContact O-N 3.33Å
23L85.7Confident82.1Confident80 Ų80104.6 Ų104.642%0.41954%0.536SS..Hα-helixtrans-60.4-42.8174.7-82.3168.9000112.3Y19 S20 F21 L25 I26 C27Y19-L23 HydrophobicContact CD1-CD1 3.52Å; Y19-L23 HydrophobicContact CD1-CG 4.02Å; Y19-L23 HydrophobicContact CE1-CD1 3.55Å; Y19-L23 HydrophobicContact CE1-CD2 4.3Å; Y19-L23 HydrophobicContact CE1-CG 3.88Å; Y19-L23 WeakPolarHBondContact O-CG 3.47Å; Y19-L23 PolarHBondContact O-N 2.99Å; S20-L23 PolarHBondContact O-N 3.01Å; F21-L23 PolarHBondContact O-N 3.36Å; L23-L25 VanDerWaalsContact C-N 3.35Å; L23-I26 PolarHBondContact O-N 3.1Å; L23-C27 PolarHBondContact O-N 2.99Å; L23-C27 PolarHBondContact O-SG 3.08Å
24I91.6Very high83Confident105 Ų105106.3 Ų106.354%0.53853%0.534SS..Hα-helixtrans-63.7-42178.3-66.5161.4000110.7S20 F21 N22 I26 C27 C28S20-I24 WeakPolarHBondContact O-CD1 3.39Å; S20-I24 VanDerWaalsContact O-CG1 3.26Å; S20-I24 WeakPolarHBondContact O-CG1 3.41Å; S20-I24 PolarHBondContact O-N 3.36Å; S20-I24 VanDerWaalsContact O-N 3.1Å; F21-I24 PolarHBondContact O-N 3.46Å; N22-I24 PolarHBondContact O-N 3.39Å; I24-I26 PolarHBondContact O-N 2.86Å; I24-C27 PolarHBondContact O-N 3.3Å; I24-C28 PolarHBondContact O-N 3.34Å; I24-C28 PolarHBondContact O-SG 3.07Å
25L90.5Very high84.1Confident84 Ų84110.6 Ų110.644%0.4454%0.537SS..Hα-helixtrans-60.8-44.3175.8-76.8171.7000112.2F21 N22 L23 C28 L29F21-L25 HydrophobicContact CD1-CD1 3.91Å; F21-L25 HydrophobicContact CE1-CD1 3.55Å; F21-L25 HydrophobicContact CE1-CG 4.23Å; F21-L25 HydrophobicContact CZ-CD1 4.25Å; F21-L25 PolarHBondContact O-N 2.94Å; F21-L25 VanDerWaalsContact O-N 3.12Å; N22-L25 PolarHBondContact O-N 3.24Å; L23-L25 VanDerWaalsContact C-N 3.35Å; L25-C28 PolarHBondContact O-N 3.39Å; L25-L29 WeakPolarHBondContact O-CG 3.36Å; L25-L29 PolarHBondContact O-N 3.31Å
26I92.1Very high85Confident93 Ų93112.9 Ų112.948%0.47754%0.542SS..Hα-helixtrans-62.3-46.2177.2-66.5162.1000110.5N22 L23 I24 C28 L29 I30N22-I26 WeakPolarHBondContact O-CD1 3.4Å; N22-I26 VanDerWaalsContact O-CG1 3.31Å; N22-I26 WeakPolarHBondContact O-CG1 3.31Å; N22-I26 PolarHBondContact O-N 3.33Å; L23-I26 PolarHBondContact O-N 3.1Å; I24-I26 PolarHBondContact O-N 2.86Å; I26-C28 VanDerWaalsContact C-N 3.32Å; I26-C28 PolarHBondContact O-N 3.01Å; I26-L29 PolarHBondContact O-N 3.36Å; I26-I30 HydrophobicContact CG2-CD1 3.88Å; I26-I30 WeakPolarHBondContact O-CG1 3.37Å; I26-I30 PolarHBondContact O-N 3.35Å
27C89.8Confident85.5Confident71 Ų71107.3 Ų107.348%0.4853%0.527SS..Hα-helixtrans-58.5-42.5175.8-75.70000112.2L23 I24 I30 L31L23-C27 PolarHBondContact O-N 2.99Å; L23-C27 PolarHBondContact O-SG 3.08Å; I24-C27 PolarHBondContact O-N 3.3Å; C27-I30 PolarHBondContact O-N 3.02Å; C27-L31 WeakPolarHBondContact O-CG 2.82Å; C27-L31 PolarHBondContact O-N 2.93Å
28C91Very high85.2Confident75 Ų75106.7 Ų106.751%0.50752%0.524SS..Hα-helixtrans-62-42175.9-78.90000112.4I24 L25 I26 L31 F32I24-C28 PolarHBondContact O-N 3.34Å; I24-C28 PolarHBondContact O-SG 3.07Å; L25-C28 PolarHBondContact O-N 3.39Å; I26-C28 VanDerWaalsContact C-N 3.32Å; I26-C28 PolarHBondContact O-N 3.01Å; C28-L31 PolarHBondContact O-N 3.38Å; C28-F32 WeakPolarHBondContact O-CB 3.39Å; C28-F32 PolarHBondContact O-N 2.94Å
29L91.1Very high84.8Confident114 Ų114108.2 Ų108.260%0.59753%0.531SS*.Hα-helixtrans-65-38.7176.5-70.9172.1000112.3L25 I26 F32 T33L25-L29 WeakPolarHBondContact O-CG 3.36Å; L25-L29 PolarHBondContact O-N 3.31Å; I26-L29 PolarHBondContact O-N 3.36Å; L29-F32 PolarHBondContact O-N 3.12Å; L29-T33 WeakPolarHBondContact O-CG2 3.5Å; L29-T33 PolarHBondContact O-N 3.32Å; L29-T33 PolarHBondContact O-OG1 3.31Å
30I92.2Very high83.8Confident86 Ų86107.1 Ų107.144%0.44153%0.529SS..Hα-helixtrans-63.9-44.4174.9-66.1164.2000110.6I26 C27 F32 T33 R34I26-I30 HydrophobicContact CG2-CD1 3.88Å; I26-I30 WeakPolarHBondContact O-CG1 3.37Å; I26-I30 PolarHBondContact O-N 3.35Å; C27-I30 PolarHBondContact O-N 3.02Å; I30-F32 VanDerWaalsContact C-N 3.31Å; I30-F32 PolarHBondContact O-N 3.47Å; I30-T33 WeakPolarHBondContact CA-OG1 3.34Å; I30-T33 PolarHBondContact O-N 3.49Å; I30-T33 PolarHBondContact O-OG1 2.91Å; I30-R34 WeakPolarHBondContact O-CB 3.35Å; I30-R34 VanDerWaalsContact O-CG 3.29Å; I30-R34 WeakPolarHBondContact O-CG 3.35Å; I30-R34 PolarHBondContact O-N 3.18Å
31L90.6Very high82.8Confident99 Ų99106.7 Ų106.752%0.51852%0.522SS..Hα-helixtrans-64.9-37.3176.8-68.2175.1000112C27 C28 R35C27-L31 WeakPolarHBondContact O-CG 2.82Å; C27-L31 PolarHBondContact O-N 2.93Å; C28-L31 PolarHBondContact O-N 3.38Å; L31-R35 WeakPolarHBondContact O-CG 3.47Å; L31-R35 PolarHBondContact O-N 3.47Å
32F91Very high81.5Confident126 Ų126108.1 Ų108.155%0.55353%0.529SS*.Hα-helixtrans-65.3-47.8176.8-174-103000112C28 L29 I30 R35 L36C28-F32 WeakPolarHBondContact O-CB 3.39Å; C28-F32 PolarHBondContact O-N 2.94Å; L29-F32 PolarHBondContact O-N 3.12Å; I30-F32 VanDerWaalsContact C-N 3.31Å; I30-F32 PolarHBondContact O-N 3.47Å; F32-R35 PolarHBondContact O-N 3.01Å; F32-L36 HydrophobicContact CD1-CD1 4.01Å; F32-L36 HydrophobicContact CE1-CD1 3.62Å; F32-L36 HydrophobicContact CE1-CG 4.36Å; F32-L36 HydrophobicContact CZ-CD1 4.27Å; F32-L36 PolarHBondContact O-N 3.32Å
33T86.6Confident80.2Confident65 Ų65112.7 Ų112.740%0.39954%0.544SS..Hα-helixtrans-64.2-40.8177.350.30000112.1L29 I30 R35 L36 I37L29-T33 WeakPolarHBondContact O-CG2 3.5Å; L29-T33 PolarHBondContact O-N 3.32Å; L29-T33 PolarHBondContact O-OG1 3.31Å; I30-T33 WeakPolarHBondContact CA-OG1 3.34Å; I30-T33 PolarHBondContact O-N 3.49Å; I30-T33 PolarHBondContact O-OG1 2.91Å; T33-R35 VanDerWaalsContact C-N 3.28Å; T33-R35 PolarHBondContact O-N 2.98Å; T33-L36 WeakPolarHBondContact O-CB 2.89Å; T33-L36 PolarHBondContact O-N 3.07Å; T33-I37 VanDerWaalsContact O-CG1 3.3Å; T33-I37 WeakPolarHBondContact O-CG1 3.31Å; T33-I37 PolarHBondContact O-N 3.46Å
34R82.8Confident78.8Confident154 Ų154114.4 Ų114.458%0.58155%0.55SS*.Hα-helixtrans-56.6-40.7173.4-76179.271.7179.63.9112.6I30 L36 I37 L38I30-R34 WeakPolarHBondContact O-CB 3.35Å; I30-R34 VanDerWaalsContact O-CG 3.29Å; I30-R34 WeakPolarHBondContact O-CG 3.35Å; I30-R34 PolarHBondContact O-N 3.18Å; R34-L36 VanDerWaalsContact C-N 3.31Å; R34-L36 PolarHBondContact O-N 3.18Å; R34-I37 PolarHBondContact O-N 3Å; R34-L38 WeakPolarHBondContact O-CB 3.36Å; R34-L38 VanDerWaalsContact O-CG 3.31Å; R34-L38 WeakPolarHBondContact O-CG 3.38Å; R34-L38 PolarHBondContact O-N 3.03Å
35R83Confident77Confident192 Ų192117.2 Ų117.273%0.72556%0.555SS**Hα-helixtrans-65.4-33.5176.3-74.3-177178.2-161.70.5112.8L31 F32 T33L31-R35 WeakPolarHBondContact O-CG 3.47Å; L31-R35 PolarHBondContact O-N 3.47Å; F32-R35 PolarHBondContact O-N 3.01Å; T33-R35 VanDerWaalsContact C-N 3.28Å; T33-R35 PolarHBondContact O-N 2.98Å
36L80.3Confident75.4Confident99 Ų99119.5 Ų119.552%0.51857%0.567SS.*Hα-helixtrans-72.7-44.4176.2-67.9175.5000111.7F32 T33 R34 K39F32-L36 HydrophobicContact CD1-CD1 4.01Å; F32-L36 HydrophobicContact CE1-CD1 3.62Å; F32-L36 HydrophobicContact CE1-CG 4.36Å; F32-L36 HydrophobicContact CZ-CD1 4.27Å; F32-L36 PolarHBondContact O-N 3.32Å; T33-L36 WeakPolarHBondContact O-CB 2.89Å; T33-L36 PolarHBondContact O-N 3.07Å; R34-L36 VanDerWaalsContact C-N 3.31Å; R34-L36 PolarHBondContact O-N 3.18Å; L36-K39 PolarHBondContact O-N 3.23Å
37I77.2Confident73.7Confident85 Ų85125.5 Ų125.544%0.43658%0.583SS.*Hα-helixtrans-63.8-46.3-179.2-67.6162.8000110.9T33 R34 K39 K40 D41T33-I37 VanDerWaalsContact O-CG1 3.3Å; T33-I37 WeakPolarHBondContact O-CG1 3.31Å; T33-I37 PolarHBondContact O-N 3.46Å; R34-I37 PolarHBondContact O-N 3Å; I37-K39 PolarHBondContact O-N 3.31Å; I37-K40 PolarHBondContact O-N 3.46Å; I37-D41 WeakPolarHBondContact CG2-OD2 3.32Å; I37-D41 PolarHBondContact O-N 3.33Å
38L70.3Confident72Confident110 Ų110131.2 Ų131.258%0.57660%0.596SS**Hα-helixtrans-57.4-26.7178.4-77.5166.4000113.7R34 F42R34-L38 WeakPolarHBondContact O-CB 3.36Å; R34-L38 VanDerWaalsContact O-CG 3.31Å; R34-L38 WeakPolarHBondContact O-CG 3.38Å; R34-L38 PolarHBondContact O-N 3.03Å; L38-F42 WeakPolarHBondContact O-CD2 3.39Å
39K65.5Low70.3Confident190 Ų190136.1 Ų136.183%0.82661%0.612SS**Hα-helixtrans-79.2-24.1175-77.2-174.3175.9-174.20113.4L36 I37L36-K39 PolarHBondContact O-N 3.23Å; I37-K39 PolarHBondContact O-N 3.31Å
40K60.6Low68.6Low142 Ų142136.6 Ų136.662%0.61762%0.623SS**Hα-helixtrans-94.7-38-173.4-165.9171.9175.4-176.60112.3I37 F42I37-K40 PolarHBondContact O-N 3.46Å; K40-F42 PolarHBondContact O-N 3.06Å
41D58.3Low66.8Low48 Ų48135.4 Ų135.426%0.25763%0.632SS.*THydrogen-bonded Turntrans-72.7-24-165.9-74.27.3000115.2I37 K43 E44 Y45I37-D41 WeakPolarHBondContact CG2-OD2 3.32Å; I37-D41 PolarHBondContact O-N 3.33Å; D41-K43 PolarHBondContact O-N 3.46Å; D41-E44 PolarHBondContact O-N 3.38Å; D41-E44 VanDerWaalsContact O-N 3.15Å; D41-Y45 HydrophobicContact CB-CD2 3.91Å; D41-Y45 HydrophobicContact CB-CE2 4.01Å; D41-Y45 WeakPolarHBondContact O-CD2 3.43Å; D41-Y45 PolarHBondContact O-N 3.48Å
42F58.7Low64.9Low162 Ų162140 Ų14071%0.71165%0.648SS**Hα-helixtrans-56.5-28.3-179.8-86.9-78.4000113L38 K40 L46L38-F42 WeakPolarHBondContact O-CD2 3.39Å; K40-F42 PolarHBondContact O-N 3.06Å; F42-L46 VanDerWaalsContact O-CD1 3.3Å; F42-L46 WeakPolarHBondContact O-CD1 3.31Å
43K55.2Low63.1Low186 Ų186142.8 Ų142.881%0.80966%0.663SS**Hα-helixtrans-86.9-28.4-179.3-67.3-174.1179.3-178.30114.1D41D41-K43 PolarHBondContact O-N 3.46Å
44E55.6Low61.6Low116 Ų116151.1 Ų151.154%0.54269%0.687SS.*Hα-helixtrans-85.8-36.3-177.3-74.6-178172.600112.2D41 L46 R47D41-E44 PolarHBondContact O-N 3.38Å; D41-E44 VanDerWaalsContact O-N 3.15Å; E44-L46 VanDerWaalsContact C-N 3.33Å; E44-L46 PolarHBondContact O-N 2.97Å; E44-R47 WeakPolarHBondContact O-CB 3.45Å; E44-R47 PolarHBondContact O-N 3.44Å; E44-R47 VanDerWaalsContact O-N 3.1Å
45Y55.4Low59.9Low164 Ų164152.9 Ų152.964%0.64370%0.695SS**Hα-helixtrans-66.5-31.9178.7-86.1-88.7000113.4D41 R47 Y48D41-Y45 HydrophobicContact CB-CD2 3.91Å; D41-Y45 HydrophobicContact CB-CE2 4.01Å; D41-Y45 WeakPolarHBondContact O-CD2 3.43Å; D41-Y45 PolarHBondContact O-N 3.48Å; Y45-R47 PolarHBondContact O-N 3.22Å; Y45-R47 VanDerWaalsContact O-N 3.12Å; Y45-Y48 PolarHBondContact O-N 3.1Å
46L57Low58.3Low132 Ų132152.6 Ų152.669%0.69170%0.699SS**THydrogen-bonded Turntrans-62.6-17.1174.3-83159.7000113.2F42 E44 Y48F42-L46 VanDerWaalsContact O-CD1 3.3Å; F42-L46 WeakPolarHBondContact O-CD1 3.31Å; E44-L46 VanDerWaalsContact C-N 3.33Å; E44-L46 PolarHBondContact O-N 2.97Å; L46-Y48 VanDerWaalsContact C-N 3.34Å
47R55.2Low57.2Low219 Ų219153.6 Ų153.683%0.82670%0.704SS**THydrogen-bonded Turntrans-78.2-17.6178.4-148.9173.2-153-171.14.3113.4E44 Y45E44-R47 WeakPolarHBondContact O-CB 3.45Å; E44-R47 PolarHBondContact O-N 3.44Å; E44-R47 VanDerWaalsContact O-N 3.1Å; Y45-R47 PolarHBondContact O-N 3.22Å; Y45-R47 VanDerWaalsContact O-N 3.12Å
48Y54.7Low56.4Low191 Ų191157.8 Ų157.875%0.74973%0.727SS**THydrogen-bonded Turntrans-106.6-6.2-175.5-68-75.3000115.1Y45 L46Y45-Y48 PolarHBondContact O-N 3.1Å; L46-Y48 VanDerWaalsContact C-N 3.34Å
49E55.7Low56.2Low179 Ų179163 Ų16384%0.83674%0.739SS**SBendtrans-1050.7-179-81.1-93.6147.900114.2
50C55.7Low56.1Low124 Ų124160.7 Ų160.784%0.83874%0.735SS**SBendtrans-117.579.4175-146.80000110.4
51G52.6Low56Low61 Ų61159.7 Ų159.763%0.62974%0.743SS**  trans-178.621.2178.800000117.3
52F51Low56.2Low195 Ų195163.7 Ų163.786%0.85576%0.759SS**  trans-115.787.8165.3-71-74.4000108.8R54F52-R54 PolarHBondContact O-N 3.25Å
53E53.8Low57Low184 Ų184158.3 Ų158.386%0.8674%0.741SS**  trans-65.4124.2171.7-70-175.8171.300109.5Y55E53-Y55 PolarHBondContact O-N 3.12Å
54R54.7Low58Low240 Ų240155.1 Ų155.191%0.90673%0.732SS**SBendtrans-72.532.2-179.7-86.9-157.6-82.1-155.5-6.5114.2F52F52-R54 PolarHBondContact O-N 3.25Å
55Y48.3Very low59.3Low192 Ų192155.6 Ų155.675%0.75374%0.739SS**  trans-131.5109.7-178.5-79.1-79.9000112.1E53E53-Y55 PolarHBondContact O-N 3.12Å
56K49Very low60.4Low185 Ų185154.9 Ų154.980%0.80474%0.739SS**SBendtrans77.7111.4152-56.6177.2-177.91790115.5
57I56.6Low61.7Low120 Ų120153.2 Ų153.262%0.61573%0.726SS**  trans128.485.5150.7-63.2154.8000108R59I57-R59 HydrophobicContact CG2-CB 4.23Å; I57-R59 WeakPolarHBondContact CG2-O 3.31Å; I57-R59 PolarHBondContact O-N 3.1Å
58N60.4Low63.1Low174 Ų174145.3 Ų145.393%0.9370%0.703SS**SBendtrans-66.919.8170.2-74.213.9000112.9
59R65.9Low64.7Low218 Ų218141.5 Ų141.582%0.82370%0.695SS**  trans-14262.4179-59.3-168.2-175.2-172.52.3107.3I57I57-R59 HydrophobicContact CG2-CB 4.23Å; I57-R59 WeakPolarHBondContact CG2-O 3.31Å; I57-R59 PolarHBondContact O-N 3.1Å
60L64.3Low66.3Low142 Ų142136.2 Ų136.274%0.74368%0.677SS**  trans-53.1132.6165.6-81.889.4000106.5F62L60-F62 PolarHBondContact O-N 3.39Å
61P58.6Low67.8Low122 Ų122133.2 Ų133.279%0.79265%0.653SS**  trans-54.4116.517823.2-32.3000107.3S63P61-S63 PolarHBondContact O-N 3.18Å
62F62.5Low69.5Low131 Ų131133 Ų13358%0.57564%0.636SS**  trans-60.7105.6178.1177-101.2000107.5L60 L64 F67L60-F62 PolarHBondContact O-N 3.39Å; F62-L64 HydrophobicContact CD1-CD2 3.9Å; F62-L64 HydrophobicContact CE1-CD2 3.86Å; F62-L64 PolarHBondContact O-N 3.02Å; F62-F67 HydrophobicContact CE1-CB 3.6Å; F62-F67 AromaticContact CE1-CD1 3.98Å; F62-F67 HydrophobicContact CE1-CD1 3.98Å; F62-F67 HydrophobicContact CE1-CD2 4.34Å; F62-F67 AromaticContact CE1-CG 3.74Å; F62-F67 HydrophobicContact CE1-CG 3.74Å; F62-F67 HydrophobicContact CE2-CB 3.91Å; F62-F67 HydrophobicContact CE2-CD2 4.02Å; F62-F67 HydrophobicContact CE2-CG 4.12Å; F62-F67 HydrophobicContact CZ-CB 3.22Å; F62-F67 AromaticContact CZ-CD1 3.8Å; F62-F67 HydrophobicContact CZ-CD1 3.8Å; F62-F67 AromaticContact CZ-CD2 3.37Å; F62-F67 HydrophobicContact CZ-CD2 3.37Å; F62-F67 HydrophobicContact CZ-CE1 4.43Å; F62-F67 HydrophobicContact CZ-CE2 4.07Å; F62-F67 AromaticContact CZ-CG 3.19Å; F62-F67 HydrophobicContact CZ-CG 3.19Å
63S74.4Confident71.2Confident50 Ų50129.7 Ų129.735%0.3562%0.622SS.*  trans-75.7113.9174.2560000107.7P61 N65 F66P61-S63 PolarHBondContact O-N 3.18Å; S63-N65 PolarHBondContact O-N 3.43Å; S63-F66 PolarHBondContact O-N 3.15Å; S63-F66 WeakPolarHBondContact OG-CD2 3.3Å; S63-F66 WeakPolarHBondContact OG-CE2 3.27Å
64L76.1Confident72.9Confident118 Ų118124.9 Ų124.962%0.61861%0.605SS**Hα-helixtrans-49.9-33179.5-63.9173.2000112.2F62 F66 F67 T68F62-L64 HydrophobicContact CD1-CD2 3.9Å; F62-L64 HydrophobicContact CE1-CD2 3.86Å; F62-L64 PolarHBondContact O-N 3.02Å; L64-F66 PolarHBondContact O-N 2.92Å; L64-F67 WeakPolarHBondContact O-CB 3.39Å; L64-F67 PolarHBondContact O-N 3.32Å; L64-F67 VanDerWaalsContact O-N 3.1Å; L64-T68 PolarHBondContact O-N 3.29Å; L64-T68 PolarHBondContact O-OG1 3.14Å; L64-T68 VanDerWaalsContact O-OG1 3.12Å
65N82.9Confident74.5Confident126 Ų126115.6 Ų115.667%0.67458%0.575SS**Hα-helixtrans-60.3-41.7179.2-59.82.8000113.8S63 F67 L69S63-N65 PolarHBondContact O-N 3.43Å; N65-F67 VanDerWaalsContact C-N 3.27Å; N65-F67 PolarHBondContact O-N 2.98Å; N65-L69 PolarHBondContact O-N 3.26Å
66F79.7Confident76.2Confident150 Ų150111.4 Ų111.466%0.65856%0.561SS**Hα-helixtrans-71.6-26.4177.8-66.4-48000111.9S63 L64 L69 S70S63-F66 PolarHBondContact O-N 3.15Å; S63-F66 WeakPolarHBondContact OG-CD2 3.3Å; S63-F66 WeakPolarHBondContact OG-CE2 3.27Å; L64-F66 PolarHBondContact O-N 2.92Å; F66-L69 HydrophobicContact CD1-CD1 4.43Å; F66-S70 PolarHBondContact O-N 3.44Å; F66-S70 PolarHBondContact O-OG 3.39Å
67F84.5Confident78.1Confident96 Ų96105.7 Ų105.742%0.42154%0.539SS..Hα-helixtrans-72.1-44.6175.1-179.3-121.1000112.1F62 L64 N65 L69 S70 I71F62-F67 HydrophobicContact CE1-CB 3.6Å; F62-F67 AromaticContact CE1-CD1 3.98Å; F62-F67 HydrophobicContact CE1-CD1 3.98Å; F62-F67 HydrophobicContact CE1-CD2 4.34Å; F62-F67 AromaticContact CE1-CG 3.74Å; F62-F67 HydrophobicContact CE1-CG 3.74Å; F62-F67 HydrophobicContact CE2-CB 3.91Å; F62-F67 HydrophobicContact CE2-CD2 4.02Å; F62-F67 HydrophobicContact CE2-CG 4.12Å; F62-F67 HydrophobicContact CZ-CB 3.22Å; F62-F67 AromaticContact CZ-CD1 3.8Å; F62-F67 HydrophobicContact CZ-CD1 3.8Å; F62-F67 AromaticContact CZ-CD2 3.37Å; F62-F67 HydrophobicContact CZ-CD2 3.37Å; F62-F67 HydrophobicContact CZ-CE1 4.43Å; F62-F67 HydrophobicContact CZ-CE2 4.07Å; F62-F67 AromaticContact CZ-CG 3.19Å; F62-F67 HydrophobicContact CZ-CG 3.19Å; L64-F67 WeakPolarHBondContact O-CB 3.39Å; L64-F67 PolarHBondContact O-N 3.32Å; L64-F67 VanDerWaalsContact O-N 3.1Å; N65-F67 VanDerWaalsContact C-N 3.27Å; N65-F67 PolarHBondContact O-N 2.98Å; F67-L69 VanDerWaalsContact C-N 3.29Å; F67-L69 PolarHBondContact O-N 3.5Å; F67-S70 WeakPolarHBondContact O-CB 3.49Å; F67-S70 PolarHBondContact O-N 2.78Å; F67-I71 HydrophobicContact CD1-CD1 3.67Å; F67-I71 HydrophobicContact CD2-CD1 4.38Å; F67-I71 HydrophobicContact CE1-CD1 3.26Å; F67-I71 HydrophobicContact CE1-CG1 4.3Å; F67-I71 HydrophobicContact CE2-CD1 4.05Å; F67-I71 HydrophobicContact CE2-CG1 4.24Å; F67-I71 HydrophobicContact CG-CD1 4.23Å; F67-I71 HydrophobicContact CZ-CD1 3.49Å; F67-I71 VanDerWaalsContact CZ-CD1 3.49Å; F67-I71 HydrophobicContact CZ-CG1 4.12Å; F67-I71 PolarHBondContact O-N 2.96Å
68T83.7Confident79.6Confident54 Ų54104.9 Ų104.933%0.33154%0.535SS..Hα-helixtrans-58.1-43176.9-51.20000111.3L64 S70 I71 I72L64-T68 PolarHBondContact O-N 3.29Å; L64-T68 PolarHBondContact O-OG1 3.14Å; L64-T68 VanDerWaalsContact O-OG1 3.12Å; T68-S70 VanDerWaalsContact C-N 3.28Å; T68-S70 PolarHBondContact O-N 2.91Å; T68-I71 PolarHBondContact O-N 3.32Å; T68-I72 HydrophobicContact CG2-CD1 3.89Å; T68-I72 HydrophobicContact CG2-CG1 4.49Å; T68-I72 VanDerWaalsContact O-CG1 3.31Å; T68-I72 WeakPolarHBondContact O-CG1 3.33Å; T68-I72 PolarHBondContact O-N 2.87Å
69L87.5Confident80.8Confident111 Ų11198.3 Ų98.358%0.58150%0.499SS*.Hα-helixtrans-59.3-38.1174.3-77.2164.4000112.9N65 F66 F67 F73N65-L69 PolarHBondContact O-N 3.26Å; F66-L69 HydrophobicContact CD1-CD1 4.43Å; F67-L69 VanDerWaalsContact C-N 3.29Å; F67-L69 PolarHBondContact O-N 3.5Å; L69-F73 VanDerWaalsContact O-CB 3.31Å; L69-F73 WeakPolarHBondContact O-CB 3.34Å; L69-F73 PolarHBondContact O-N 3.04Å
70S89Confident81.6Confident67 Ų6790.9 Ų90.947%0.46948%0.475SS..Hα-helixtrans-70.1-38.8179.2-55.40000111.7F66 F67 T68 V74F66-S70 PolarHBondContact O-N 3.44Å; F66-S70 PolarHBondContact O-OG 3.39Å; F67-S70 WeakPolarHBondContact O-CB 3.49Å; F67-S70 PolarHBondContact O-N 2.78Å; T68-S70 VanDerWaalsContact C-N 3.28Å; T68-S70 PolarHBondContact O-N 2.91Å; S70-V74 VanDerWaalsContact O-CG2 3.31Å; S70-V74 WeakPolarHBondContact O-CG2 2.98Å; S70-V74 PolarHBondContact O-N 3.32Å; S70-V74 VanDerWaalsContact O-N 3.07Å
71I88.5Confident82.8Confident62 Ų6289.4 Ų89.432%0.31847%0.467SS..Hα-helixtrans-64.7-49.6174.9-67.5165.9000110.2F67 T68 F73 V74 V75F67-I71 HydrophobicContact CD1-CD1 3.67Å; F67-I71 HydrophobicContact CD2-CD1 4.38Å; F67-I71 HydrophobicContact CE1-CD1 3.26Å; F67-I71 HydrophobicContact CE1-CG1 4.3Å; F67-I71 HydrophobicContact CE2-CD1 4.05Å; F67-I71 HydrophobicContact CE2-CG1 4.24Å; F67-I71 HydrophobicContact CG-CD1 4.23Å; F67-I71 HydrophobicContact CZ-CD1 3.49Å; F67-I71 VanDerWaalsContact CZ-CD1 3.49Å; F67-I71 HydrophobicContact CZ-CG1 4.12Å; F67-I71 PolarHBondContact O-N 2.96Å; T68-I71 PolarHBondContact O-N 3.32Å; I71-F73 VanDerWaalsContact C-N 3.27Å; I71-F73 PolarHBondContact O-N 3.37Å; I71-V74 PolarHBondContact O-N 3.12Å; I71-V74 VanDerWaalsContact O-N 3.12Å; I71-V75 HydrophobicContact CG2-CG2 4.29Å; I71-V75 WeakPolarHBondContact O-CG2 3.5Å; I71-V75 PolarHBondContact O-N 3.2Å
72I87Confident83.9Confident56 Ų5687 Ų8729%0.28745%0.446SS..Hα-helixtrans-56.1-44.4178.1-70.4166.5000110.7T68 V75 F76 L112T68-I72 HydrophobicContact CG2-CD1 3.89Å; T68-I72 HydrophobicContact CG2-CG1 4.49Å; T68-I72 VanDerWaalsContact O-CG1 3.31Å; T68-I72 WeakPolarHBondContact O-CG1 3.33Å; T68-I72 PolarHBondContact O-N 2.87Å; I72-V75 PolarHBondContact O-N 3.36Å; I72-F76 WeakPolarHBondContact O-CB 3.47Å; I72-F76 PolarHBondContact O-N 3.34Å; I72-L112 HydrophobicContact CB-CD1 4.38Å; I72-L112 HydrophobicContact CG1-CD1 3.98Å; I72-L112 HydrophobicContact CG2-CD1 4.02Å
73F88.4Confident84.8Confident125 Ų12584.1 Ų84.155%0.54844%0.436SS..Hα-helixtrans-61.4-44.9177.7177.8-106.7000112.3L69 I71 F76 D77L69-F73 VanDerWaalsContact O-CB 3.31Å; L69-F73 WeakPolarHBondContact O-CB 3.34Å; L69-F73 PolarHBondContact O-N 3.04Å; I71-F73 VanDerWaalsContact C-N 3.27Å; I71-F73 PolarHBondContact O-N 3.37Å; F73-F76 PolarHBondContact O-N 3.4Å; F73-D77 VanDerWaalsContact CE1-OD2 3.31Å; F73-D77 WeakPolarHBondContact CE1-OD2 3.48Å; F73-D77 WeakPolarHBondContact CZ-OD2 3.27Å; F73-D77 WeakPolarHBondContact O-CB 3.05Å; F73-D77 PolarHBondContact O-N 2.91Å
74V89.4Confident85.2Confident84 Ų8486.6 Ų86.651%0.50945%0.445SS..Hα-helixtrans-64.1-41.6177.9169.90000111.7S70 I71 L78S70-V74 VanDerWaalsContact O-CG2 3.31Å; S70-V74 WeakPolarHBondContact O-CG2 2.98Å; S70-V74 PolarHBondContact O-N 3.32Å; S70-V74 VanDerWaalsContact O-N 3.07Å; I71-V74 PolarHBondContact O-N 3.12Å; I71-V74 VanDerWaalsContact O-N 3.12Å; V74-L78 HydrophobicContact CG1-CD1 4.32Å; V74-L78 WeakPolarHBondContact O-CG 3.31Å; V74-L78 PolarHBondContact O-N 2.86Å
75V87Confident85.5Confident44 Ų4484 Ų8427%0.26744%0.441SS..Hα-helixtrans-65.2-46.5178.3173.40000110.6I71 I72 D77 L78 E79I71-V75 HydrophobicContact CG2-CG2 4.29Å; I71-V75 WeakPolarHBondContact O-CG2 3.5Å; I71-V75 PolarHBondContact O-N 3.2Å; I72-V75 PolarHBondContact O-N 3.36Å; V75-D77 PolarHBondContact O-N 3Å; V75-L78 WeakPolarHBondContact O-CB 3.28Å; V75-L78 PolarHBondContact O-N 2.95Å; V75-E79 WeakPolarHBondContact CG1-OE1 3.48Å; V75-E79 PolarHBondContact O-N 2.93Å; V75-E79 VanDerWaalsContact O-N 3.1Å
76F84.6Confident85.1Confident105 Ų10581 Ų8146%0.46142%0.424SS..Hα-helixtrans-63.7-41.8179.4175.5-109.5000113.1I72 F73 L78 E79 I80I72-F76 WeakPolarHBondContact O-CB 3.47Å; I72-F76 PolarHBondContact O-N 3.34Å; F73-F76 PolarHBondContact O-N 3.4Å; F76-L78 VanDerWaalsContact C-N 3.27Å; F76-L78 PolarHBondContact O-N 3.38Å; F76-E79 PolarHBondContact O-N 3.3Å; F76-I80 HydrophobicContact CD1-CD1 3.72Å; F76-I80 HydrophobicContact CD2-CD1 4.44Å; F76-I80 HydrophobicContact CE1-CD1 3.17Å; F76-I80 HydrophobicContact CE1-CG1 4.16Å; F76-I80 HydrophobicContact CE2-CD1 3.96Å; F76-I80 HydrophobicContact CE2-CG1 4.07Å; F76-I80 HydrophobicContact CG-CD1 4.35Å; F76-I80 HydrophobicContact CZ-CD1 3.31Å; F76-I80 HydrophobicContact CZ-CG1 3.89Å; F76-I80 PolarHBondContact O-N 3.06Å; F76-I80 VanDerWaalsContact O-N 3.12Å
77D89.8Confident84.9Confident65 Ų6579.9 Ų79.935%0.34842%0.423SS..Hα-helixtrans-60.4-38.6176.2-86.6-1.7000111.5F73 V75 I81F73-D77 VanDerWaalsContact CE1-OD2 3.31Å; F73-D77 WeakPolarHBondContact CE1-OD2 3.48Å; F73-D77 WeakPolarHBondContact CZ-OD2 3.27Å; F73-D77 WeakPolarHBondContact O-CB 3.05Å; F73-D77 PolarHBondContact O-N 2.91Å; V75-D77 PolarHBondContact O-N 3Å; D77-I81 WeakPolarHBondContact O-CG1 3.43Å; D77-I81 PolarHBondContact O-N 3.43Å
78L87.9Confident84.5Confident102 Ų10279.8 Ų79.853%0.53444%0.435SS..Hα-helixtrans-66.5-39176-72.4169.4000112.5V74 V75 F76 I81 I82V74-L78 HydrophobicContact CG1-CD1 4.32Å; V74-L78 WeakPolarHBondContact O-CG 3.31Å; V74-L78 PolarHBondContact O-N 2.86Å; V75-L78 WeakPolarHBondContact O-CB 3.28Å; V75-L78 PolarHBondContact O-N 2.95Å; F76-L78 VanDerWaalsContact C-N 3.27Å; F76-L78 PolarHBondContact O-N 3.38Å; L78-I81 PolarHBondContact O-N 3.21Å; L78-I82 WeakPolarHBondContact O-CG1 3.3Å; L78-I82 PolarHBondContact O-N 3.45Å
79E84.2Confident83.7Confident37 Ų3779.4 Ų79.417%0.17343%0.434CS..Hα-helixtrans-63.1-44.8177.3-72.5172.1-14000112.2V75 F76 I81 I82 L83 I108V75-E79 WeakPolarHBondContact CG1-OE1 3.48Å; V75-E79 PolarHBondContact O-N 2.93Å; V75-E79 VanDerWaalsContact O-N 3.1Å; F76-E79 PolarHBondContact O-N 3.3Å; E79-I81 PolarHBondContact O-N 3.17Å; E79-I82 PolarHBondContact O-N 2.97Å; E79-I82 VanDerWaalsContact O-N 3.14Å; E79-L83 WeakPolarHBondContact O-CB 3.44Å; E79-L83 PolarHBondContact O-N 3.46Å; E79-I108 HydrophobicContact CG-CG2 3.76Å; E79-I108 WeakPolarHBondContact OE1-CG2 3.38Å
80I84.7Confident82.7Confident61 Ų6179.4 Ų79.431%0.31344%0.441SS..Hα-helixtrans-58.5-42179.3-68.4164.3000110.4F76 I82 L83 I84F76-I80 HydrophobicContact CD1-CD1 3.72Å; F76-I80 HydrophobicContact CD2-CD1 4.44Å; F76-I80 HydrophobicContact CE1-CD1 3.17Å; F76-I80 HydrophobicContact CE1-CG1 4.16Å; F76-I80 HydrophobicContact CE2-CD1 3.96Å; F76-I80 HydrophobicContact CE2-CG1 4.07Å; F76-I80 HydrophobicContact CG-CD1 4.35Å; F76-I80 HydrophobicContact CZ-CD1 3.31Å; F76-I80 HydrophobicContact CZ-CG1 3.89Å; F76-I80 PolarHBondContact O-N 3.06Å; F76-I80 VanDerWaalsContact O-N 3.12Å; I80-I82 VanDerWaalsContact C-N 3.33Å; I80-I82 PolarHBondContact O-N 3.03Å; I80-L83 PolarHBondContact O-N 2.92Å; I80-I84 HydrophobicContact CG2-CD1 3.61Å; I80-I84 HydrophobicContact CG2-CG1 4.26Å; I80-I84 VanDerWaalsContact O-CG1 3.28Å; I80-I84 WeakPolarHBondContact O-CG1 3.38Å; I80-I84 PolarHBondContact O-N 3.29Å
81I89.2Confident81.4Confident112 Ų11283.9 Ų83.957%0.57447%0.465SS*.Hα-helixtrans-60.2-45178.7-66.4166.7000110.6D77 L78 E79 A85D77-I81 WeakPolarHBondContact O-CG1 3.43Å; D77-I81 PolarHBondContact O-N 3.43Å; L78-I81 PolarHBondContact O-N 3.21Å; E79-I81 PolarHBondContact O-N 3.17Å; I81-A85 PolarHBondContact O-N 3.47Å; I81-A85 VanDerWaalsContact O-N 3.17Å
82I81.7Confident80Confident70 Ų7084.2 Ų84.236%0.35948%0.483SS..Hα-helixtrans-66.4-43.3178.6-64.6169.1000110.9L78 E79 I80 I84 A85 I86 F104L78-I82 WeakPolarHBondContact O-CG1 3.3Å; L78-I82 PolarHBondContact O-N 3.45Å; E79-I82 PolarHBondContact O-N 2.97Å; E79-I82 VanDerWaalsContact O-N 3.14Å; I80-I82 VanDerWaalsContact C-N 3.33Å; I80-I82 PolarHBondContact O-N 3.03Å; I82-I84 PolarHBondContact O-N 3.05Å; I82-A85 PolarHBondContact O-N 3.31Å; I82-I86 HydrophobicContact CG2-CD1 3.97Å; I82-I86 WeakPolarHBondContact O-CG1 3.39Å; I82-I86 PolarHBondContact O-N 3.21Å; I82-F104 HydrophobicContact CD1-CE1 3.84Å; I82-F104 HydrophobicContact CD1-CZ 4.13Å; I82-F104 HydrophobicContact CG2-CE1 4.26Å
83L80.8Confident78.6Confident71 Ų7184.6 Ų84.637%0.37249%0.486SS..Hα-helixtrans-59.8-46.2179.6-167.193.3000111.2E79 I80 A85 I86 I87 L105E79-L83 WeakPolarHBondContact O-CB 3.44Å; E79-L83 PolarHBondContact O-N 3.46Å; I80-L83 PolarHBondContact O-N 2.92Å; L83-A85 VanDerWaalsContact C-N 3.31Å; L83-A85 PolarHBondContact O-N 3.04Å; L83-I86 PolarHBondContact O-N 3.26Å; L83-I87 HydrophobicContact CD2-CD1 3.85Å; L83-I87 HydrophobicContact CG-CD1 3.82Å; L83-I87 VanDerWaalsContact O-CG1 3.27Å; L83-I87 WeakPolarHBondContact O-CG1 3.46Å; L83-I87 PolarHBondContact O-N 3.25Å; L83-L105 HydrophobicContact CD1-CD1 3.73Å; L83-L105 HydrophobicContact CD1-CD2 4.1Å
84I82.6Confident77.5Confident102 Ų10285.4 Ų85.452%0.52349%0.491SS..Hα-helixtrans-62-40.6178.2-68.9169.2000110.7I80 I82 I87 S88I80-I84 HydrophobicContact CG2-CD1 3.61Å; I80-I84 HydrophobicContact CG2-CG1 4.26Å; I80-I84 VanDerWaalsContact O-CG1 3.28Å; I80-I84 WeakPolarHBondContact O-CG1 3.38Å; I80-I84 PolarHBondContact O-N 3.29Å; I82-I84 PolarHBondContact O-N 3.05Å; I84-I87 PolarHBondContact O-N 3.39Å; I84-S88 WeakPolarHBondContact O-CB 3.45Å; I84-S88 PolarHBondContact O-N 3.5Å
85A81.5Confident76.7Confident65 Ų6587.9 Ų87.954%0.53750%0.5SS..Hα-helixtrans-62.9-42.417800000112.3I81 I82 L83 S88 S89I81-A85 PolarHBondContact O-N 3.47Å; I81-A85 VanDerWaalsContact O-N 3.17Å; I82-A85 PolarHBondContact O-N 3.31Å; L83-A85 VanDerWaalsContact C-N 3.31Å; L83-A85 PolarHBondContact O-N 3.04Å; A85-S88 PolarHBondContact O-N 2.84Å; A85-S89 PolarHBondContact O-N 2.94Å
86I75.2Confident76.2Confident63 Ų6391 Ų9132%0.32352%0.516SS..Hα-helixtrans-64.6-44.7177.1-65.4168.5000110.6I82 L83 S89I82-I86 HydrophobicContact CG2-CD1 3.97Å; I82-I86 WeakPolarHBondContact O-CG1 3.39Å; I82-I86 PolarHBondContact O-N 3.21Å; L83-I86 PolarHBondContact O-N 3.26Å; I86-S89 WeakPolarHBondContact O-CB 3.42Å; I86-S89 PolarHBondContact O-N 3.37Å
87I75.1Confident75.8Confident125 Ų12588.7 Ų88.764%0.64151%0.51SS*.Hα-helixtrans-68.6-37-179-65.6166.2000111.3L83 I84 S89L83-I87 HydrophobicContact CD2-CD1 3.85Å; L83-I87 HydrophobicContact CG-CD1 3.82Å; L83-I87 VanDerWaalsContact O-CG1 3.27Å; L83-I87 WeakPolarHBondContact O-CG1 3.46Å; L83-I87 PolarHBondContact O-N 3.25Å; I84-I87 PolarHBondContact O-N 3.39Å; I87-S89 PolarHBondContact O-N 2.95Å
88S76.5Confident75.2Confident95 Ų9589.6 Ų89.666%0.66451%0.514SS*.Hα-helixtrans-76.9-8.3-179.8-171.10000113.5I84 A85I84-S88 WeakPolarHBondContact O-CB 3.45Å; I84-S88 PolarHBondContact O-N 3.5Å; A85-S88 PolarHBondContact O-N 2.84Å
89S67.1Low74.9Confident46 Ų4688.3 Ų88.332%0.32251%0.51SS..SBendtrans-63136.4176.3176.30000110.4A85 I86 I87 L93A85-S89 PolarHBondContact O-N 2.94Å; I86-S89 WeakPolarHBondContact O-CB 3.42Å; I86-S89 PolarHBondContact O-N 3.37Å; I87-S89 PolarHBondContact O-N 2.95Å; S89-L93 WeakPolarHBondContact OG-CD2 3.2Å
90P65.6Low74.8Confident110 Ų11092 Ų9271%0.71453%0.531SS*.  trans-56.5144.9-176.421.9-33.2000112.8G92P90-G92 VanDerWaalsContact C-N 3.34Å; P90-G92 PolarHBondContact O-N 3.46Å
91V61.9Low74.6Confident162 Ų16289.7 Ų89.798%0.98252%0.521SS*.SBendtrans-58.686.1-175.4-1770000111.1
92G59Low74.1Confident68 Ų6888.4 Ų88.470%0.70152%0.515SS*.  trans-174.316.7176.100000113.1P90 Q94P90-G92 VanDerWaalsContact C-N 3.34Å; P90-G92 PolarHBondContact O-N 3.46Å; G92-Q94 PolarHBondContact O-N 3.45Å
93L57.5Low74.4Confident64 Ų6489.9 Ų89.934%0.33552%0.523SS..  trans-68.1120.3-173.9-73.5175.6000110.6S89 T97 I98S89-L93 WeakPolarHBondContact OG-CD2 3.2Å; L93-T97 HydrophobicContact CD2-CG2 4.47Å; L93-T97 WeakPolarHBondContact CD2-OG1 3.29Å; L93-I98 HydrophobicContact CB-CD1 4.5Å; L93-I98 HydrophobicContact CB-CG1 4.43Å
94Q66.2Low74.5Confident143 Ų14390.8 Ų90.867%0.66852%0.524SS*.  trans-55.1140169.3-64.4177.4-24.900108.9G92 N96 T97G92-Q94 PolarHBondContact O-N 3.45Å; Q94-N96 PolarHBondContact O-N 2.99Å; Q94-T97 PolarHBondContact O-N 2.91Å; Q94-T97 PolarHBondContact O-OG1 2.81Å
95I73.6Confident74.5Confident135 Ų13588.5 Ų88.569%0.69251%0.513SS*.Hα-helixtrans-47.1-33.4178.6-67.5162000111.5T97 I98 V99I95-T97 PolarHBondContact O-N 3.34Å; I95-I98 PolarHBondContact O-N 2.96Å; I95-V99 HydrophobicContact CG2-CG2 4.09Å; I95-V99 WeakPolarHBondContact O-CG2 3.34Å; I95-V99 PolarHBondContact O-N 3.33Å
96N76.2Confident74.8Confident111 Ų11190.5 Ų90.559%0.59451%0.513SS*.Hα-helixtrans-58.8-40.5178-67.14.3000114.2Q94 V99 L100Q94-N96 PolarHBondContact O-N 2.99Å; N96-V99 PolarHBondContact O-N 3.19Å; N96-L100 WeakPolarHBondContact O-CB 3.43Å; N96-L100 VanDerWaalsContact O-CG 3.27Å; N96-L100 WeakPolarHBondContact O-CG 3.44Å; N96-L100 PolarHBondContact O-N 3.23Å
97T75.5Confident75.5Confident55 Ų5593.9 Ų93.934%0.33753%0.526SS..Hα-helixtrans-71.4-35.4-178.7580000111.4L93 Q94 I95 G101L93-T97 HydrophobicContact CD2-CG2 4.47Å; L93-T97 WeakPolarHBondContact CD2-OG1 3.29Å; Q94-T97 PolarHBondContact O-N 2.91Å; Q94-T97 PolarHBondContact O-OG1 2.81Å; I95-T97 PolarHBondContact O-N 3.34Å; T97-G101 PolarHBondContact O-N 2.92Å
98I76.4Confident75.8Confident85 Ų8589.7 Ų89.744%0.43650%0.504SS..Hα-helixtrans-67.1-45.3175.3-62.7171.2000109.6L93 I95 L100 G101 N102L93-I98 HydrophobicContact CB-CD1 4.5Å; L93-I98 HydrophobicContact CB-CG1 4.43Å; I95-I98 PolarHBondContact O-N 2.96Å; I98-L100 PolarHBondContact O-N 3Å; I98-G101 PolarHBondContact O-N 3.39Å; I98-N102 WeakPolarHBondContact CG2-ND2 3.43Å; I98-N102 PolarHBondContact O-N 2.94Å; I98-N102 PolarHBondContact O-ND2 3.29Å
99V81.4Confident76.2Confident74 Ų7490.3 Ų90.345%0.44850%0.5SS..Hα-helixtrans-61.5-45.7177.4172.70000110.9I95 N96 G101 N102 I103I95-V99 HydrophobicContact CG2-CG2 4.09Å; I95-V99 WeakPolarHBondContact O-CG2 3.34Å; I95-V99 PolarHBondContact O-N 3.33Å; N96-V99 PolarHBondContact O-N 3.19Å; V99-G101 PolarHBondContact O-N 2.97Å; V99-N102 PolarHBondContact O-N 3.35Å; V99-I103 HydrophobicContact CG1-CD1 3.98Å; V99-I103 WeakPolarHBondContact O-CG1 3.4Å; V99-I103 PolarHBondContact O-N 3.19Å
100L82.1Confident77.3Confident116 Ų11692.9 Ų92.961%0.60751%0.509SS*.Hα-helixtrans-61.4-41.7176-74.7166.3000112.3N96 I98 N102 I103 F104N96-L100 WeakPolarHBondContact O-CB 3.43Å; N96-L100 VanDerWaalsContact O-CG 3.27Å; N96-L100 WeakPolarHBondContact O-CG 3.44Å; N96-L100 PolarHBondContact O-N 3.23Å; I98-L100 PolarHBondContact O-N 3Å; L100-N102 VanDerWaalsContact C-N 3.34Å; L100-N102 PolarHBondContact O-N 3.34Å; L100-I103 PolarHBondContact O-N 3.32Å; L100-F104 PolarHBondContact O-N 3.04Å
101G82.1Confident78.2Confident11 Ų1190.3 Ų90.311%0.11349%0.492CS..Hα-helixtrans-60.5-41.5174.900000112.7T97 I98 V99 F104 L105T97-G101 PolarHBondContact O-N 2.92Å; I98-G101 PolarHBondContact O-N 3.39Å; V99-G101 PolarHBondContact O-N 2.97Å; G101-F104 PolarHBondContact O-N 3.02Å; G101-L105 WeakPolarHBondContact O-CG 3.31Å; G101-L105 PolarHBondContact O-N 3.43Å
102N78.9Confident79.2Confident85 Ų8585 Ų8546%0.45546%0.457SS..Hα-helixtrans-66.8-40.5176.4-76.2-69.4000112.5I98 V99 L100 F104 L105 I106I98-N102 WeakPolarHBondContact CG2-ND2 3.43Å; I98-N102 PolarHBondContact O-N 2.94Å; I98-N102 PolarHBondContact O-ND2 3.29Å; V99-N102 PolarHBondContact O-N 3.35Å; L100-N102 VanDerWaalsContact C-N 3.34Å; L100-N102 PolarHBondContact O-N 3.34Å; N102-F104 VanDerWaalsContact C-N 3.31Å; N102-F104 PolarHBondContact O-N 3.5Å; N102-L105 PolarHBondContact O-N 2.98Å; N102-I106 WeakPolarHBondContact O-CG1 3.45Å; N102-I106 PolarHBondContact O-N 3.49Å
103I86.8Confident80.4Confident102 Ų10287.9 Ų87.952%0.52346%0.456SS..Hα-helixtrans-62-42.4176.2-66.5165.7000110.4V99 L100 I106 F107V99-I103 HydrophobicContact CG1-CD1 3.98Å; V99-I103 WeakPolarHBondContact O-CG1 3.4Å; V99-I103 PolarHBondContact O-N 3.19Å; L100-I103 PolarHBondContact O-N 3.32Å; I103-I106 PolarHBondContact O-N 3.1Å; I103-F107 PolarHBondContact O-N 3.36Å; I103-F107 VanDerWaalsContact O-N 3.08Å
104F83.6Confident81.8Confident90 Ų9090.9 Ų90.940%0.39548%0.477SS..Hα-helixtrans-61-44.7177-178.2-102.9000112.1I82 L100 G101 N102 I106 F107 I108I82-F104 HydrophobicContact CD1-CE1 3.84Å; I82-F104 HydrophobicContact CD1-CZ 4.13Å; I82-F104 HydrophobicContact CG2-CE1 4.26Å; L100-F104 PolarHBondContact O-N 3.04Å; G101-F104 PolarHBondContact O-N 3.02Å; N102-F104 VanDerWaalsContact C-N 3.31Å; N102-F104 PolarHBondContact O-N 3.5Å; F104-I106 PolarHBondContact O-N 3.45Å; F104-F107 PolarHBondContact O-N 3.44Å; F104-I108 HydrophobicContact CE1-CG1 4.21Å; F104-I108 HydrophobicContact CE2-CG1 4.36Å; F104-I108 HydrophobicContact CZ-CD1 4.39Å; F104-I108 HydrophobicContact CZ-CG1 4.05Å; F104-I108 PolarHBondContact O-N 3.3Å
105L82.6Confident82.2Confident54 Ų5490.6 Ų90.628%0.28348%0.475SS..Hα-helixtrans-61.8-40.5176.2-70.4172.9000112.6L83 G101 N102 I108 L109L83-L105 HydrophobicContact CD1-CD1 3.73Å; L83-L105 HydrophobicContact CD1-CD2 4.1Å; G101-L105 WeakPolarHBondContact O-CG 3.31Å; G101-L105 PolarHBondContact O-N 3.43Å; N102-L105 PolarHBondContact O-N 2.98Å; L105-I108 PolarHBondContact O-N 3.47Å; L105-L109 WeakPolarHBondContact O-CB 3.5Å; L105-L109 PolarHBondContact O-N 2.86Å
106I88.4Confident82.6Confident106 Ų10688.4 Ų88.454%0.54447%0.465SS..Hα-helixtrans-64.2-43.2178.2-68.3164.2000111N102 I103 F104 I108 L109 L110N102-I106 WeakPolarHBondContact O-CG1 3.45Å; N102-I106 PolarHBondContact O-N 3.49Å; I103-I106 PolarHBondContact O-N 3.1Å; F104-I106 PolarHBondContact O-N 3.45Å; I106-I108 VanDerWaalsContact C-N 3.34Å; I106-I108 PolarHBondContact O-N 3.34Å; I106-L109 PolarHBondContact O-N 3.22Å; I106-L110 HydrophobicContact CG2-CD1 4.26Å; I106-L110 WeakPolarHBondContact O-CG 3.48Å; I106-L110 PolarHBondContact O-N 3.12Å
107F88.3Confident83Confident135 Ų13587.2 Ų87.259%0.59246%0.458SS*.Hα-helixtrans-62.8-42.4-179.4-176.6-93.6000112.2I103 F104 L110 T111I103-F107 PolarHBondContact O-N 3.36Å; I103-F107 VanDerWaalsContact O-N 3.08Å; F104-F107 PolarHBondContact O-N 3.44Å; F107-L110 PolarHBondContact O-N 3.48Å; F107-T111 PolarHBondContact O-N 3.07Å; F107-T111 VanDerWaalsContact O-N 3.11Å; F107-T111 PolarHBondContact O-OG1 3Å
108I82.5Confident83.4Confident36 Ų3688.9 Ų88.919%0.18546%0.464CS..Hα-helixtrans-67.1-42.9177.5-70.1-70000111.2E79 F104 L105 I106 L110 T111 L112E79-I108 HydrophobicContact CG-CG2 3.76Å; E79-I108 WeakPolarHBondContact OE1-CG2 3.38Å; F104-I108 HydrophobicContact CE1-CG1 4.21Å; F104-I108 HydrophobicContact CE2-CG1 4.36Å; F104-I108 HydrophobicContact CZ-CD1 4.39Å; F104-I108 HydrophobicContact CZ-CG1 4.05Å; F104-I108 PolarHBondContact O-N 3.3Å; L105-I108 PolarHBondContact O-N 3.47Å; I106-I108 VanDerWaalsContact C-N 3.34Å; I106-I108 PolarHBondContact O-N 3.34Å; I108-L110 VanDerWaalsContact C-N 3.26Å; I108-L110 PolarHBondContact O-N 3.41Å; I108-T111 WeakPolarHBondContact O-CA 3.42Å; I108-T111 WeakPolarHBondContact O-CB 3.26Å; I108-T111 PolarHBondContact O-N 3.39Å; I108-L112 PolarHBondContact O-N 3.24Å
109L84.2Confident83.8Confident108 Ų10889.2 Ų89.257%0.56547%0.466SS*.Hα-helixtrans-61.2-36176.7-173131.7000112.3L105 I106 T111 L113L105-L109 WeakPolarHBondContact O-CB 3.5Å; L105-L109 PolarHBondContact O-N 2.86Å; I106-L109 PolarHBondContact O-N 3.22Å; L109-T111 VanDerWaalsContact C-N 3.34Å; L109-L113 WeakPolarHBondContact O-CB 3.47Å; L109-L113 PolarHBondContact O-N 3.21Å
110L89.7Confident83.9Confident100 Ų10090.1 Ų90.152%0.52447%0.467SS..Hα-helixtrans-64.8-39172.4-73.7171.3000112.2I106 F107 I108 L113 V114I106-L110 HydrophobicContact CG2-CD1 4.26Å; I106-L110 WeakPolarHBondContact O-CG 3.48Å; I106-L110 PolarHBondContact O-N 3.12Å; F107-L110 PolarHBondContact O-N 3.48Å; I108-L110 VanDerWaalsContact C-N 3.26Å; I108-L110 PolarHBondContact O-N 3.41Å; L110-L113 PolarHBondContact O-N 3.21Å; L110-V114 VanDerWaalsContact O-CG2 3.31Å; L110-V114 WeakPolarHBondContact O-CG2 3.44Å; L110-V114 PolarHBondContact O-N 2.94Å
111T85.6Confident84.1Confident56 Ų5688.4 Ų88.434%0.34446%0.458SS..Hα-helixtrans-65.7-45.9177.6-53.60000110.2F107 I108 L109 L113 V114 E115F107-T111 PolarHBondContact O-N 3.07Å; F107-T111 VanDerWaalsContact O-N 3.11Å; F107-T111 PolarHBondContact O-OG1 3Å; I108-T111 WeakPolarHBondContact O-CA 3.42Å; I108-T111 WeakPolarHBondContact O-CB 3.26Å; I108-T111 PolarHBondContact O-N 3.39Å; L109-T111 VanDerWaalsContact C-N 3.34Å; T111-L113 VanDerWaalsContact C-N 3.29Å; T111-L113 PolarHBondContact O-N 3.42Å; T111-V114 PolarHBondContact O-N 3.45Å; T111-E115 PolarHBondContact O-N 3.42Å
112L82.8Confident84.2Confident50 Ų5093.9 Ų93.926%0.26248%0.482SS..Hα-helixtrans-63-32.8177-174.269.8000113.1I72 I108I72-L112 HydrophobicContact CB-CD1 4.38Å; I72-L112 HydrophobicContact CG1-CD1 3.98Å; I72-L112 HydrophobicContact CG2-CD1 4.02Å; I108-L112 PolarHBondContact O-N 3.24Å
113L83.8Confident84.6Confident130 Ų13094.6 Ų94.668%0.68149%0.485SS*.Hα-helixtrans-73.9-27.9178.6-174.9147.7000112.7L109 L110 T111L109-L113 WeakPolarHBondContact O-CB 3.47Å; L109-L113 PolarHBondContact O-N 3.21Å; L110-L113 PolarHBondContact O-N 3.21Å; T111-L113 VanDerWaalsContact C-N 3.29Å; T111-L113 PolarHBondContact O-N 3.42Å
114V88.2Confident84.4Confident126 Ų12694 Ų9476%0.76448%0.481SS*.Hα-helixtrans-77.7-25.6179.2170.50000111.8L110 T111L110-V114 VanDerWaalsContact O-CG2 3.31Å; L110-V114 WeakPolarHBondContact O-CG2 3.44Å; L110-V114 PolarHBondContact O-N 2.94Å; T111-V114 PolarHBondContact O-N 3.45Å
115E73.3Confident84.5Confident137 Ų13794.4 Ų94.464%0.6449%0.489SS*.  trans-87.90178.2-66.4177.4173.300113.1T111T111-E115 PolarHBondContact O-N 3.42Å

Retrieved 115 of 115 residues in 63.6 ms (Link to these results)