A0A077YYD7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YYD7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 175 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
1M51.9Low59.5Low212 Ų212116.7 Ų116.7100%1.04458%0.584SS**  0-43.40-65.7-151178.100113.1F3 A4 T5M1-F3 VanDerWaalsContact C-N 3.33Å; M1-F3 PolarHBondContact O-N 2.79Å; M1-A4 PolarHBondContact O-N 3.11Å; M1-A4 VanDerWaalsContact O-N 3.12Å; M1-T5 PolarHBondContact O-N 2.77Å; M1-T5 PolarHBondContact O-OG1 3.2Å
2L54.4Low59Low100 Ų100114.8 Ų114.852%0.52458%0.582SS.*Hα-helixtrans-55.5-37.1176.9-97.1127.6000115.6A4 T5 L6 V112L2-A4 VanDerWaalsContact C-N 3.33Å; L2-A4 PolarHBondContact O-N 3.34Å; L2-T5 WeakPolarHBondContact CA-OG1 3.08Å; L2-T5 PolarHBondContact O-OG1 3.04Å; L2-L6 WeakPolarHBondContact O-CG 3.18Å; L2-L6 PolarHBondContact O-N 3.47Å; L2-V112 HydrophobicContact CD2-CG1 3.73Å
3F57.9Low58.4Low166 Ų166118.4 Ų118.473%0.72858%0.584SS**Hα-helixtrans-66.9-34.6177.7-114.8-91.6000112.7M1 L7M1-F3 VanDerWaalsContact C-N 3.33Å; M1-F3 PolarHBondContact O-N 2.79Å; F3-L7 WeakPolarHBondContact O-CB 3.39Å; F3-L7 VanDerWaalsContact O-CG 3.29Å; F3-L7 WeakPolarHBondContact O-CG 3.11Å; F3-L7 PolarHBondContact O-N 3.22Å
4A62.2Low57.6Low60 Ų60121.1 Ų121.150%0.49660%0.595SS.*Hα-helixtrans-72.1-39179.600000111.2M1 L2 F8M1-A4 PolarHBondContact O-N 3.11Å; M1-A4 VanDerWaalsContact O-N 3.12Å; L2-A4 VanDerWaalsContact C-N 3.33Å; L2-A4 PolarHBondContact O-N 3.34Å; A4-F8 WeakPolarHBondContact O-CB 3.25Å; A4-F8 PolarHBondContact O-N 3.47Å
5T62Low57.1Low75 Ų75120.2 Ų120.246%0.4661%0.605SS.*Hα-helixtrans-65.7-44173.329.40000111.4M1 L2 L7 F8 F9M1-T5 PolarHBondContact O-N 2.77Å; M1-T5 PolarHBondContact O-OG1 3.2Å; L2-T5 WeakPolarHBondContact CA-OG1 3.08Å; L2-T5 PolarHBondContact O-OG1 3.04Å; T5-L7 PolarHBondContact O-N 2.94Å; T5-F8 PolarHBondContact O-N 3.15Å; T5-F9 WeakPolarHBondContact O-CD2 3.17Å; T5-F9 PolarHBondContact O-N 3.24Å
6L60.8Low56.6Low50 Ų50119 Ų11926%0.26261%0.611SS.*Hα-helixtrans-60.3-45.5175.2-76.4167.9000112.2L2 F8 F9 F10 V109L2-L6 WeakPolarHBondContact O-CG 3.18Å; L2-L6 PolarHBondContact O-N 3.47Å; L6-F8 VanDerWaalsContact C-N 3.33Å; L6-F8 PolarHBondContact O-N 2.99Å; L6-F9 PolarHBondContact O-N 3.2Å; L6-F10 WeakPolarHBondContact O-CD2 3.36Å; L6-F10 PolarHBondContact O-N 3.42Å; L6-V109 HydrophobicContact CD2-CG1 4.08Å
7L65.7Low55.4Low98 Ų98116.4 Ų116.451%0.51362%0.62SS.*Hα-helixtrans-65.6-33.8177-73.2174.1000112.9F3 T5 N11F3-L7 WeakPolarHBondContact O-CB 3.39Å; F3-L7 VanDerWaalsContact O-CG 3.29Å; F3-L7 WeakPolarHBondContact O-CG 3.11Å; F3-L7 PolarHBondContact O-N 3.22Å; T5-L7 PolarHBondContact O-N 2.94Å; L7-N11 WeakPolarHBondContact O-CB 3.28Å; L7-N11 PolarHBondContact O-N 2.82Å; L7-N11 PolarHBondContact O-ND2 3.46Å
8F66.2Low54.7Low156 Ų156120.4 Ų120.468%0.68463%0.632SS**Hα-helixtrans-64.3-45.4171.8-117-90.5000111.1A4 T5 L6 N11 V12A4-F8 WeakPolarHBondContact O-CB 3.25Å; A4-F8 PolarHBondContact O-N 3.47Å; T5-F8 PolarHBondContact O-N 3.15Å; L6-F8 VanDerWaalsContact C-N 3.33Å; L6-F8 PolarHBondContact O-N 2.99Å; F8-N11 PolarHBondContact O-N 2.79Å; F8-V12 WeakPolarHBondContact O-CB 3.02Å; F8-V12 WeakPolarHBondContact O-CG2 3.4Å; F8-V12 PolarHBondContact O-N 2.72Å
9F58.5Low53.8Low123 Ų123124.3 Ų124.354%0.53964%0.643SS.*Hα-helixtrans-66.7-38.4177.4-77.3-68.3000112.7T5 L6 V12 R13T5-F9 WeakPolarHBondContact O-CD2 3.17Å; T5-F9 PolarHBondContact O-N 3.24Å; L6-F9 PolarHBondContact O-N 3.2Å; F9-V12 PolarHBondContact O-N 3.14Å; F9-R13 WeakPolarHBondContact O-CB 3.31Å; F9-R13 PolarHBondContact O-N 3.43Å
10F59.2Low53.2Low140 Ų140125.5 Ų125.561%0.61465%0.649SS**Hα-helixtrans-65.1-40.8173.3-92-81.5000112L6 R13 Q14L6-F10 WeakPolarHBondContact O-CD2 3.36Å; L6-F10 PolarHBondContact O-N 3.42Å; F10-R13 PolarHBondContact O-N 3.28Å; F10-Q14 PolarHBondContact O-N 2.76Å
11N55.7Low52.3Low104 Ų104125.3 Ų125.356%0.55665%0.649SS**Hα-helixtrans-65.6-44.6174.6-94.9-78.4000112.3L7 F8 R13 Q14 S15L7-N11 WeakPolarHBondContact O-CB 3.28Å; L7-N11 PolarHBondContact O-N 2.82Å; L7-N11 PolarHBondContact O-ND2 3.46Å; F8-N11 PolarHBondContact O-N 2.79Å; N11-R13 VanDerWaalsContact C-N 3.28Å; N11-R13 PolarHBondContact O-N 2.67Å; N11-Q14 PolarHBondContact O-N 2.73Å; N11-S15 PolarHBondContact O-N 3.39Å
12V53.2Low51.4Low93 Ų93122.8 Ų122.856%0.56464%0.639SS**Hα-helixtrans-62-38.7178170.70000110.7F8 F9 S15F8-V12 WeakPolarHBondContact O-CB 3.02Å; F8-V12 WeakPolarHBondContact O-CG2 3.4Å; F8-V12 PolarHBondContact O-N 2.72Å; F9-V12 PolarHBondContact O-N 3.14Å; V12-S15 PolarHBondContact O-N 2.9Å
13R52.1Low50.3Low162 Ų162121.4 Ų121.461%0.61164%0.638SS**Hα-helixtrans-71.7-31.8176.6-161.7167.4-171.6176.72.4112.9F9 F10 N11 S15 S16F9-R13 WeakPolarHBondContact O-CB 3.31Å; F9-R13 PolarHBondContact O-N 3.43Å; F10-R13 PolarHBondContact O-N 3.28Å; N11-R13 VanDerWaalsContact C-N 3.28Å; N11-R13 PolarHBondContact O-N 2.67Å; R13-S15 VanDerWaalsContact C-N 3.26Å; R13-S15 PolarHBondContact O-N 3.07Å; R13-S16 PolarHBondContact O-N 2.85Å
14Q47.2Very low49.2Very low157 Ų157121.6 Ų121.673%0.73465%0.645SS**Hα-helixtrans-66.8-28.6176.2-150.3-167.44400112.3F10 N11 S16 G17F10-Q14 PolarHBondContact O-N 2.76Å; N11-Q14 PolarHBondContact O-N 2.73Å; Q14-S16 VanDerWaalsContact C-N 3.31Å; Q14-S16 PolarHBondContact O-N 3.15Å; Q14-G17 PolarHBondContact O-N 2.05Å
15S49.2Very low47.6Very low107 Ų107126 Ų12675%0.74866%0.659SS**Hα-helixtrans-71.5-21.2175.1-167.50000113.7N11 V12 R13 G17N11-S15 PolarHBondContact O-N 3.39Å; V12-S15 PolarHBondContact O-N 2.9Å; R13-S15 VanDerWaalsContact C-N 3.26Å; R13-S15 PolarHBondContact O-N 3.07Å; S15-G17 PolarHBondContact O-N 3.29Å
16S49Very low46.2Very low101 Ų101129.4 Ų129.471%0.70667%0.67SS**SBendtrans-89.764.6165.2-90.20000109.6R13 Q14 K18R13-S16 PolarHBondContact O-N 2.85Å; Q14-S16 VanDerWaalsContact C-N 3.31Å; Q14-S16 PolarHBondContact O-N 3.15Å; S16-K18 PolarHBondContact O-N 3.31Å
17G36.3Very low45Very low74 Ų74133.3 Ų133.376%0.76369%0.691SS**  trans-66.974174.100000111.9Q14 S15Q14-G17 PolarHBondContact O-N 2.05Å; S15-G17 PolarHBondContact O-N 3.29Å
18K43.4Very low43.6Very low190 Ų190137.7 Ų137.783%0.82670%0.702SS**  trans-105.6108.7161.6-128.1171.7-176170.50107S16 I20S16-K18 PolarHBondContact O-N 3.31Å; K18-I20 PolarHBondContact O-N 3.29Å
19K38Very low42.5Very low193 Ų193132.8 Ų132.884%0.83969%0.687SS**  trans-50.9105.7163.1-76.2-179.7177.4-175.30107D21K19-D21 PolarHBondContact O-N 3.23Å
20I41.9Very low42Very low149 Ų149131.5 Ų131.576%0.76469%0.691SS**  trans-78.880.8161.9-57.5173.5000103.8K18 L22K18-I20 PolarHBondContact O-N 3.29Å; I20-L22 PolarHBondContact O-N 3.05Å; I20-L22 VanDerWaalsContact O-N 3.11Å
21D33.8Very low41.7Very low121 Ų121126.1 Ų126.165%0.64767%0.668SS**  trans-61.2112.3164.7-123.2-56.8000105.8K19 S23K19-D21 PolarHBondContact O-N 3.23Å; D21-S23 PolarHBondContact O-N 3.04Å
22L32.9Very low41.5Very low159 Ų159123 Ų12383%0.83265%0.654SS**  trans-72.858.6177.8-161.177.6000108.8I20I20-L22 PolarHBondContact O-N 3.05Å; I20-L22 VanDerWaalsContact O-N 3.11Å
23S31.8Very low41.6Very low72 Ų72124.5 Ų124.550%0.50366%0.658SS.*  trans-105.247.3168.1-60.60000108.3D21 L25D21-S23 PolarHBondContact O-N 3.04Å; S23-L25 PolarHBondContact O-N 3.44Å
24L34Very low42.1Very low169 Ų169119.3 Ų119.389%0.88566%0.655SS**  trans-71.534170.7-154119.3000111.4
25L29.2Very low42.8Very low152 Ų152116 Ų11680%0.79664%0.642SS**  trans-148.347-170-126.4152.9000107.7S23S23-L25 PolarHBondContact O-N 3.44Å
26Q31.4Very low43.6Very low148 Ų148120 Ų12069%0.69264%0.641SS**SBendtrans-135.4101.5167.9-75.6-63.9-63.800109.1
27L36.5Very low44.6Very low131 Ų131115.2 Ų115.269%0.68661%0.607SS**  trans56.387.9154.3-73.485.8000116.6S29L27-S29 PolarHBondContact O-N 3.08Å
28Y36.5Very low46.1Very low191 Ų191112.9 Ų112.975%0.74958%0.583SS**  trans-52.292.5135-130-91.5000106.9P30 I33Y28-P30 WeakPolarHBondContact O-CD 3.2Å; Y28-I33 HydrophobicContact CE1-CG1 4.25Å
29S43.6Very low47.2Very low53 Ų53106 Ų10637%0.37157%0.566SS.*  trans-59.4118.2163.3-690000105.8L27 L31L27-S29 PolarHBondContact O-N 3.08Å; S29-L31 PolarHBondContact O-N 3.19Å
30P48.1Very low48.6Very low96 Ų9698.9 Ų98.962%0.62354%0.536SS*.THydrogen-bonded Turntrans-68.94.3-16826.7-34000114.2Y28 C32 Q40Y28-P30 WeakPolarHBondContact O-CD 3.2Å; P30-C32 PolarHBondContact O-N 2.88Å; P30-Q40 VanDerWaalsContact C-OE1 3.23Å; P30-Q40 PolarHBondContact O-OE1 3.13Å
31L52.9Low49.8Very low26 Ų2695.7 Ų95.714%0.13652%0.524CS..THydrogen-bonded Turntrans-74.3-22.3-173.8-94.897.1000115.4S29 P78S29-L31 PolarHBondContact O-N 3.19Å; L31-P78 HydrophobicContact CD2-CG 4.31Å
32C51.6Low51.4Low38 Ų3891.2 Ų91.226%0.25750%0.501SS..EExtended strand (participates in β ladder)trans-140.3104.9-161.4-50.40000111P30 C75P30-C32 PolarHBondContact O-N 2.88Å; C32-C75 HydrophobicContact CB-CB 4.05Å; C32-C75 WeakPolarHBondContact SG-CB 3.33Å
33I54.8Low53.1Low126 Ų12688.4 Ų88.465%0.64649%0.49SS*.EExtended strand (participates in β ladder)trans-106.899.5168.4-69.5168.2000107.1Y28 R36Y28-I33 HydrophobicContact CE1-CG1 4.25Å; I33-R36 PolarHBondContact N-O 3.41Å; I33-R36 PolarHBondContact O-N 3.46Å
34G61.6Low54.8Low53 Ų5389.7 Ų89.755%0.54649%0.491SS..THydrogen-bonded Turntrans66.7-132.6-179.400000113.2R36G34-R36 VanDerWaalsContact C-N 3.3Å
35D62.7Low56.4Low88 Ų8886.6 Ų86.647%0.47148%0.484SS..THydrogen-bonded Turntrans-86.90.9-178-53.7-32.4000113.2T62 C63D35-T62 WeakPolarHBondContact O-CA 3.49Å; D35-C63 PolarHBondContact O-N 3.11Å; D35-C63 VanDerWaalsContact O-N 3.09Å
36R66Low58.1Low189 Ų18982.5 Ų82.571%0.71347%0.468SS*.EExtended strand (participates in β ladder)trans-100.5120.4177.4-67.7-175.5-178.5-131.31.3109.8I33 G34I33-R36 PolarHBondContact N-O 3.41Å; I33-R36 PolarHBondContact O-N 3.46Å; G34-R36 VanDerWaalsContact C-N 3.3Å
37C69.1Low59.7Low1 Ų181.8 Ų81.81%0.00748%0.479CS..EExtended strand (participates in β ladder)trans-110141.9179.3-41.30000109.2P60 Y61 C75C37-P60 CarbonylContact O-C 3.51Å; C37-P60 VanDerWaalsContact O-CA 3.31Å; C37-P60 WeakPolarHBondContact O-CA 3.38Å; C37-Y61 HydrophobicContact CB-CD1 3.92Å; C37-Y61 HydrophobicContact CB-CD2 3.85Å; C37-Y61 HydrophobicContact CB-CE1 3.5Å; C37-Y61 HydrophobicContact CB-CE2 3.43Å; C37-Y61 VanDerWaalsContact CB-CE2 3.43Å; C37-Y61 HydrophobicContact CB-CG 4.09Å; C37-Y61 PolarHBondContact N-O 3.36Å; C37-Y61 PolarHBondContact O-N 2.98Å; C37-Y61 VanDerWaalsContact O-O 3.08Å; C37-Y61 VanDerWaalsContact SG-CE2 3.54Å; C37-C75 WeakPolarHBondContact CA-SG 3.2Å; C37-C75 HydrophobicContact CB-CB 3.72Å; C37-C75 WeakPolarHBondContact CB-SG 3.42Å; C37-C75 WeakPolarHBondContact SG-CA 3.29Å; C37-C75 WeakPolarHBondContact SG-CB 3.4Å; C37-C75 CovalentContact SG-SG 1.99Å; C37-C75 PolarHBondContact SG-SG 3.45Å
38G67.7Low61Low25 Ų2580.2 Ų80.226%0.25847%0.471SS..  trans84.3-169.9176.300000114.4
39G68.1Low62.1Low46 Ų4677.3 Ų77.347%0.47448%0.479SS..  trans91.116.9-16700000113.9I58G39-I58 PolarHBondContact N-O 3.27Å
40Q67.2Low63.1Low44 Ų4479.3 Ų79.321%0.20649%0.493CS..EExtended strand (participates in β ladder)trans-132154.4179.959.7172.757.500112.2P30 I58P30-Q40 VanDerWaalsContact C-OE1 3.23Å; P30-Q40 PolarHBondContact O-OE1 3.13Å; Q40-I58 PolarHBondContact O-N 3.32Å
41T67.1Low63.9Low81 Ų8178.9 Ų78.950%0.49749%0.488SS..EExtended strand (participates in β ladder)trans-93.9114174.7-51.90000108.1
42V67.4Low64.5Low27 Ų2788.3 Ų88.316%0.16452%0.522CS..EExtended strand (participates in β ladder)trans-90120.2171-85.50000108.6S55 I56 I58V42-S55 WeakPolarHBondContact O-CA 3.43Å; V42-I56 HydrophobicContact CG2-CB 4.24Å; V42-I56 VanDerWaalsContact CG2-O 3.31Å; V42-I56 WeakPolarHBondContact CG2-O 3.35Å; V42-I56 PolarHBondContact N-O 3.29Å; V42-I56 PolarHBondContact O-N 3.49Å; V42-I58 HydrophobicContact CG1-CD1 4.2Å; V42-I58 HydrophobicContact CG2-CD1 3.5Å; V42-I58 HydrophobicContact CG2-CG1 4.05Å
43T68.7Low65.3Low101 Ų10190.4 Ų90.462%0.6254%0.535SS*.EExtended strand (participates in β ladder)trans-91.5104.7172.939.20000109.1S45T43-S45 PolarHBondContact O-N 3.15Å
44L67Low66.1Low98 Ų9889.5 Ų89.551%0.51353%0.531SS..EExtended strand (participates in β ladder)trans-77.2102.9172.5-63.1169.4000108P53 L54 I56L44-P53 WeakPolarHBondContact O-CA 3.4Å; L44-L54 HydrophobicContact CB-CB 4.46Å; L44-L54 PolarHBondContact N-O 2.98Å; L44-L54 PolarHBondContact O-N 2.97Å; L44-L54 VanDerWaalsContact O-N 3.07Å; L44-I56 HydrophobicContact CD1-CD1 3.53Å; L44-I56 HydrophobicContact CD1-CG1 4.32Å
45S68Low66.6Low105 Ų10590.6 Ų90.673%0.73453%0.531SS*.  trans-92.3117.6170.6-166.40000109.1T43T43-S45 PolarHBondContact O-N 3.15Å
46S64.8Low67Low66 Ų6689.9 Ų89.946%0.46253%0.526SS..  trans-79.9143.8174-177.20000110.3N48S46-N48 PolarHBondContact O-N 3.06Å; S46-N48 VanDerWaalsContact O-N 3.09Å; S46-N48 PolarHBondContact OG-N 2.91Å
47S65.2Low67.4Low132 Ų13286.9 Ų86.992%0.92352%0.518SS*.SBendtrans-63.1-8.8174.2176.60000113.6
48N62.3Low67.5Low98 Ų9887.5 Ų87.552%0.52452%0.521SS..SBendtrans-97.6115.2179.8-154.6-21.2000110.1S46 S50 V51S46-N48 PolarHBondContact O-N 3.06Å; S46-N48 VanDerWaalsContact O-N 3.09Å; S46-N48 PolarHBondContact OG-N 2.91Å; N48-S50 PolarHBondContact O-N 2.95Å; N48-V51 PolarHBondContact O-N 3.49Å; N48-V51 VanDerWaalsContact O-N 3.15Å
49S61.1Low67.7Low130 Ų13093.6 Ų93.691%0.90954%0.543SS*.THydrogen-bonded Turntrans-57.7-6.1-173.560.10000116.1
50S64.2Low68Low96 Ų9695.8 Ų95.867%0.67155%0.549SS*.THydrogen-bonded Turntrans-95.2-5.9179.461.10000114.9N48N48-S50 PolarHBondContact O-N 2.95Å
51V64.7Low68.3Low87 Ų8796.3 Ų96.353%0.52755%0.55SS..SBendtrans-107.7121.8-175.2-168.10000110.3N48N48-V51 PolarHBondContact O-N 3.49Å; N48-V51 VanDerWaalsContact O-N 3.15Å
52R64.5Low68.6Low223 Ų22396.5 Ų96.584%0.84255%0.551SS**  trans-60.6139.8174.3-67.2-174.4180-160.1-0.3109.7L54R52-L54 PolarHBondContact O-N 2.94Å
53P68.7Low68.8Low83 Ų8395.4 Ų95.454%0.53954%0.544SS..  trans-59.2126.117724.6-32.7000109.5L44 S55L44-P53 WeakPolarHBondContact O-CA 3.4Å; P53-S55 PolarHBondContact O-N 3.12Å
54L72.9Confident68.9Low107 Ų10793.9 Ų93.956%0.5654%0.536SS*.EExtended strand (participates in β ladder)trans-87.5110.5177-174.467.6000108.2L44 R52 I56L44-L54 HydrophobicContact CB-CB 4.46Å; L44-L54 PolarHBondContact N-O 2.98Å; L44-L54 PolarHBondContact O-N 2.97Å; L44-L54 VanDerWaalsContact O-N 3.07Å; R52-L54 PolarHBondContact O-N 2.94Å; L54-I56 HydrophobicContact CD2-CD1 3.96Å; L54-I56 HydrophobicContact CD2-CG1 4.04Å; L54-I56 HydrophobicContact CG-CD1 4.43Å; L54-I56 HydrophobicContact CG-CG1 3.99Å
55S70.7Confident69.1Low76 Ų7690.8 Ų90.853%0.53152%0.524SS..EExtended strand (participates in β ladder)trans-85.2112.3172.156.70000109.6V42 P53V42-S55 WeakPolarHBondContact O-CA 3.43Å; P53-S55 PolarHBondContact O-N 3.12Å
56I72.5Confident69.3Low72 Ų7292.4 Ų92.437%0.36953%0.533SS..EExtended strand (participates in β ladder)trans-104.7124.2174-56.2174.6000107.8V42 L44 L54V42-I56 HydrophobicContact CG2-CB 4.24Å; V42-I56 VanDerWaalsContact CG2-O 3.31Å; V42-I56 WeakPolarHBondContact CG2-O 3.35Å; V42-I56 PolarHBondContact N-O 3.29Å; V42-I56 PolarHBondContact O-N 3.49Å; L44-I56 HydrophobicContact CD1-CD1 3.53Å; L44-I56 HydrophobicContact CD1-CG1 4.32Å; L54-I56 HydrophobicContact CD2-CD1 3.96Å; L54-I56 HydrophobicContact CD2-CG1 4.04Å; L54-I56 HydrophobicContact CG-CD1 4.43Å; L54-I56 HydrophobicContact CG-CG1 3.99Å
57F73.7Confident69.5Low126 Ų12693.5 Ų93.555%0.55355%0.554SS**EExtended strand (participates in β ladder)trans-88.9118173.7-177.9-101.3000109.5Q59F57-Q59 HydrophobicContact CD1-CG 4.48Å; F57-Q59 HydrophobicContact CE1-CG 4.28Å
58I71.4Confident69.6Low14 Ų1489.5 Ų89.57%0.07252%0.524CS..EExtended strand (participates in β ladder)trans-93.4115.6178-55.1151000107.4G39 Q40 V42 Y61 H81G39-I58 PolarHBondContact N-O 3.27Å; Q40-I58 PolarHBondContact O-N 3.32Å; V42-I58 HydrophobicContact CG1-CD1 4.2Å; V42-I58 HydrophobicContact CG2-CD1 3.5Å; V42-I58 HydrophobicContact CG2-CG1 4.05Å; I58-Y61 HydrophobicContact CG2-CE1 4.25Å; I58-H81 WeakPolarHBondContact CD1-CE1 3.37Å
59Q72.5Confident70.1Confident153 Ų15387.8 Ų87.872%0.71552%0.518SS*.  trans-59.9141.6175.4-71.9-169.6-6.200110.5F57 Y61F57-Q59 HydrophobicContact CD1-CG 4.48Å; F57-Q59 HydrophobicContact CE1-CG 4.28Å; Q59-Y61 PolarHBondContact O-N 3.3Å
60P73.6Confident70.5Confident93 Ų9389.9 Ų89.960%0.60451%0.514SS*.  trans-63.3125176.426.9-33.2000109.8C37C37-P60 CarbonylContact O-C 3.51Å; C37-P60 VanDerWaalsContact O-CA 3.31Å; C37-P60 WeakPolarHBondContact O-CA 3.38Å
61Y74.3Confident70.7Confident55 Ų5589.7 Ų89.722%0.21650%0.502CS..EExtended strand (participates in β ladder)trans-125.1151.9174.166.4-86.3000110.3C37 I58 Q59 N82C37-Y61 HydrophobicContact CB-CD1 3.92Å; C37-Y61 HydrophobicContact CB-CD2 3.85Å; C37-Y61 HydrophobicContact CB-CE1 3.5Å; C37-Y61 HydrophobicContact CB-CE2 3.43Å; C37-Y61 VanDerWaalsContact CB-CE2 3.43Å; C37-Y61 HydrophobicContact CB-CG 4.09Å; C37-Y61 PolarHBondContact N-O 3.36Å; C37-Y61 PolarHBondContact O-N 2.98Å; C37-Y61 VanDerWaalsContact O-O 3.08Å; C37-Y61 VanDerWaalsContact SG-CE2 3.54Å; I58-Y61 HydrophobicContact CG2-CE1 4.25Å; Q59-Y61 PolarHBondContact O-N 3.3Å; Y61-N82 PolarHBondContact OH-O 3.49Å
62T73.4Confident71Confident84 Ų8489.2 Ų89.252%0.51549%0.491SS..EExtended strand (participates in β ladder)trans-109134.6179.3-49.70000108.9D35 P64D35-T62 WeakPolarHBondContact O-CA 3.49Å; T62-P64 CarbonylContact O-C 3.52Å
63C70.6Confident71.3Confident4 Ų481 Ų813%0.02747%0.465CS..SBendtrans-93.5138.6170.6-67.10000110D35 C83D35-C63 PolarHBondContact O-N 3.11Å; D35-C63 VanDerWaalsContact O-N 3.09Å; C63-C83 VanDerWaalsContact CA-SG 3.54Å; C63-C83 HydrophobicContact CB-CB 3.98Å; C63-C83 WeakPolarHBondContact CB-SG 3.46Å; C63-C83 VanDerWaalsContact SG-CA 3.6Å; C63-C83 WeakPolarHBondContact SG-CB 3.29Å; C63-C83 CovalentContact SG-SG 2.05Å; C63-C83 PolarHBondContact SG-SG 3.24Å
64P71.8Confident71.3Confident69 Ų6977.5 Ų77.545%0.44844%0.443SS..SBendcis-80.4138.63.431.9-33.6000113.2T62 V68T62-P64 CarbonylContact O-C 3.52Å; P64-V68 HydrophobicContact CB-CG2 4.2Å
65A70.9Confident71.3Confident33 Ų3373.2 Ų73.227%0.27342%0.422SS..PPolyproline II helixtrans-69.1149.9174.400000111.8G67 V68A65-G67 PolarHBondContact O-N 3.09Å; A65-G67 VanDerWaalsContact O-N 3.11Å; A65-V68 HydrophobicContact CB-CG1 4.47Å; A65-V68 HydrophobicContact CB-CG2 3.94Å; A65-V68 WeakPolarHBondContact O-CG2 3.36Å; A65-V68 PolarHBondContact O-N 3.32Å
66P71.2Confident71.4Confident140 Ų14070.1 Ų70.191%0.90940%0.4SS*.THydrogen-bonded Turntrans-63.5116.5175.625.5-32.5000110
67G70.5Confident71.2Confident88 Ų8871.6 Ų71.691%0.90741%0.409SS*.THydrogen-bonded Turntrans104.2-5.2-179.200000115.5A65A65-G67 PolarHBondContact O-N 3.09Å; A65-G67 VanDerWaalsContact O-N 3.11Å
68V67Low70.8Confident48 Ų4868.5 Ų68.529%0.29140%0.401SS..SBendtrans-95.1151.3167.7-61.90000110.9P64 A65 W72P64-V68 HydrophobicContact CB-CG2 4.2Å; A65-V68 HydrophobicContact CB-CG1 4.47Å; A65-V68 HydrophobicContact CB-CG2 3.94Å; A65-V68 WeakPolarHBondContact O-CG2 3.36Å; A65-V68 PolarHBondContact O-N 3.32Å; V68-W72 HydrophobicContact CB-CE3 4.16Å; V68-W72 HydrophobicContact CG1-CE3 4.05Å; V68-W72 HydrophobicContact CG1-CZ3 4.49Å; V68-W72 HydrophobicContact CG2-CB 4.24Å
69P72.7Confident70.3Confident62 Ų6273.8 Ų73.840%0.40344%0.437SS..  trans-67.7145.5179.131.1-38.2000111H71 W72P69-H71 WeakPolarHBondContact CB-CE1 3.44Å; P69-H71 WeakPolarHBondContact CB-ND1 3.22Å; P69-H71 WeakPolarHBondContact CG-CE1 3.35Å; P69-H71 PolarHBondContact O-N 2.79Å; P69-W72 HydrophobicContact CG-CG 4.44Å; P69-W72 PolarHBondContact O-N 2.94Å
70Q68.5Low69.8Low175 Ų17569 Ų6982%0.81842%0.42SS*.THydrogen-bonded Turntrans-55.7-14-171.1-69.2-179.1-9.700115.5W72 T73Q70-W72 PolarHBondContact O-N 3.4Å; Q70-T73 WeakPolarHBondContact O-CG2 3.43Å
71H68.2Low69.3Low91 Ų9168.6 Ų68.642%0.42141%0.41SS..THydrogen-bonded Turntrans-82.33.9178.461.4-89.4000113.9P69P69-H71 WeakPolarHBondContact CB-CE1 3.44Å; P69-H71 WeakPolarHBondContact CB-ND1 3.22Å; P69-H71 WeakPolarHBondContact CG-CE1 3.35Å; P69-H71 PolarHBondContact O-N 2.79Å
72W72.1Confident69Low77 Ų7769 Ų6929%0.29242%0.416SS..  trans-104.468178.1-71.924000110.2V68 P69 Q70 C83V68-W72 HydrophobicContact CB-CE3 4.16Å; V68-W72 HydrophobicContact CG1-CE3 4.05Å; V68-W72 HydrophobicContact CG1-CZ3 4.49Å; V68-W72 HydrophobicContact CG2-CB 4.24Å; P69-W72 HydrophobicContact CG-CG 4.44Å; P69-W72 PolarHBondContact O-N 2.94Å; Q70-W72 PolarHBondContact O-N 3.4Å; W72-C83 HydrophobicContact CB-CB 3.92Å; W72-C83 HydrophobicContact CE3-CB 4.4Å; W72-C83 WeakPolarHBondContact CZ3-O 3.33Å; W72-C83 WeakPolarHBondContact O-CB 3.36Å
73T70.7Confident69.1Low50 Ų5065.2 Ų65.231%0.30739%0.393SS..  trans-94.8-1.6-175.954.80000113.9Q70Q70-T73 WeakPolarHBondContact O-CG2 3.43Å
74S68.6Low69.2Low11 Ų1166.9 Ų66.98%0.07740%0.404CS..EExtended strand (participates in β ladder)trans-119.5147-174.4-64.60000112C83 C84S74-C83 CarbonylContact O-C 3.58Å; S74-C83 WeakPolarHBondContact O-CA 3.33Å; S74-C84 PolarHBondContact O-N 3.28Å
75C72.4Confident69.1Low17 Ų1769.7 Ų69.712%0.11541%0.405CS..EExtended strand (participates in β ladder)trans-71.8136.4173.5-45.60000110.6C32 C37C32-C75 HydrophobicContact CB-CB 4.05Å; C32-C75 WeakPolarHBondContact SG-CB 3.33Å; C37-C75 WeakPolarHBondContact CA-SG 3.2Å; C37-C75 HydrophobicContact CB-CB 3.72Å; C37-C75 WeakPolarHBondContact CB-SG 3.42Å; C37-C75 WeakPolarHBondContact SG-CA 3.29Å; C37-C75 WeakPolarHBondContact SG-CB 3.4Å; C37-C75 CovalentContact SG-SG 1.99Å; C37-C75 PolarHBondContact SG-SG 3.45Å
76C73.3Confident68.8Low10 Ų1070.9 Ų70.97%0.06841%0.409CS..PPolyproline II helixtrans-85.3150.6170.9-37.70000111.2S80 N82 C84C76-S80 WeakPolarHBondContact CB-O 3.06Å; C76-N82 PolarHBondContact N-O 3.35Å; C76-N82 VanDerWaalsContact SG-C 3.54Å; C76-N82 PolarHBondContact SG-O 2.93Å; C76-N82 PolarHBondContact SG-OD1 3.21Å; C76-C84 HydrophobicContact CB-CB 4.03Å; C76-C84 WeakPolarHBondContact CB-SG 3.41Å; C76-C84 WeakPolarHBondContact SG-CA 3.32Å; C76-C84 WeakPolarHBondContact SG-CB 3.34Å; C76-C84 PolarHBondContact SG-N 2.99Å; C76-C84 CovalentContact SG-SG 1.99Å; C76-C84 PolarHBondContact SG-SG 3.07Å
77D67.3Low68Low103 Ų10370 Ų7055%0.55140%0.403SS*.PPolyproline II helixtrans-68148168.6-73.4-53.6000111.4
78P65.1Low67.2Low62 Ų6268.8 Ų68.840%0.40339%0.391SS..THydrogen-bonded Turntrans-61.5143.6179.226.4-32.7000110.2L31L31-P78 HydrophobicContact CD2-CG 4.31Å
79P61.7Low66.3Low125 Ų12571.9 Ų71.981%0.81240%0.4SS*.THydrogen-bonded Turncis-95.2-529.134.2-36.5000116.1H81P79-H81 PolarHBondContact O-N 3.06Å
80S61.2Low65.1Low51 Ų5174.5 Ų74.536%0.35741%0.407SS..  trans-92.9102.4-177.859.90000110.5C76 N82C76-S80 WeakPolarHBondContact CB-O 3.06Å; S80-N82 WeakPolarHBondContact CB-OD1 3.3Å; S80-N82 PolarHBondContact O-N 2.9Å; S80-N82 PolarHBondContact O-OD1 2.91Å; S80-N82 PolarHBondContact OG-OD1 3.49Å; S80-N82 VanDerWaalsContact OG-OD1 3.09Å
81H64.7Low64.1Low85 Ų8572 Ų7239%0.39441%0.406SS..  trans-78.561.3173.2-58-54.1000111.2I58 P79I58-H81 WeakPolarHBondContact CD1-CE1 3.37Å; P79-H81 PolarHBondContact O-N 3.06Å
82N67.9Low62.9Low64 Ų6469.4 Ų69.434%0.34240%0.398SS..SBendtrans-121.3170.6176.453.1-12.2000110.6Y61 C76 S80Y61-N82 PolarHBondContact OH-O 3.49Å; C76-N82 PolarHBondContact N-O 3.35Å; C76-N82 VanDerWaalsContact SG-C 3.54Å; C76-N82 PolarHBondContact SG-O 2.93Å; C76-N82 PolarHBondContact SG-OD1 3.21Å; S80-N82 WeakPolarHBondContact CB-OD1 3.3Å; S80-N82 PolarHBondContact O-N 2.9Å; S80-N82 PolarHBondContact O-OD1 2.91Å; S80-N82 PolarHBondContact OG-OD1 3.49Å; S80-N82 VanDerWaalsContact OG-OD1 3.09Å
83C74.7Confident61.6Low5 Ų572 Ų723%0.03442%0.418CS..EExtended strand (participates in β ladder)trans-79.2139.8162.2-59.80000107.5C63 W72 S74C63-C83 VanDerWaalsContact CA-SG 3.54Å; C63-C83 HydrophobicContact CB-CB 3.98Å; C63-C83 WeakPolarHBondContact CB-SG 3.46Å; C63-C83 VanDerWaalsContact SG-CA 3.6Å; C63-C83 WeakPolarHBondContact SG-CB 3.29Å; C63-C83 CovalentContact SG-SG 2.05Å; C63-C83 PolarHBondContact SG-SG 3.24Å; W72-C83 HydrophobicContact CB-CB 3.92Å; W72-C83 HydrophobicContact CE3-CB 4.4Å; W72-C83 WeakPolarHBondContact CZ3-O 3.33Å; W72-C83 WeakPolarHBondContact O-CB 3.36Å; S74-C83 CarbonylContact O-C 3.58Å; S74-C83 WeakPolarHBondContact O-CA 3.33Å
84C72.4Confident60.6Low38 Ų3875.9 Ų75.926%0.25744%0.436SS..EExtended strand (participates in β ladder)trans-119.7152.7175.9-78.20000109.8S74 C76 V86S74-C84 PolarHBondContact O-N 3.28Å; C76-C84 HydrophobicContact CB-CB 4.03Å; C76-C84 WeakPolarHBondContact CB-SG 3.41Å; C76-C84 WeakPolarHBondContact SG-CA 3.32Å; C76-C84 WeakPolarHBondContact SG-CB 3.34Å; C76-C84 PolarHBondContact SG-N 2.99Å; C76-C84 CovalentContact SG-SG 1.99Å; C76-C84 PolarHBondContact SG-SG 3.07Å; C84-V86 PolarHBondContact O-N 3.48Å
85R70.8Confident59.5Low129 Ų12981 Ų8149%0.48746%0.457SS..  trans-70.9113153.5-175-176.4178.7125.22.2107.2P87 E90R85-P87 WeakPolarHBondContact O-CD 3.49Å; R85-E90 IonicContact NH2-OE1 3.48Å; R85-E90 PolarHBondContact NH2-OE1 3.46Å
86V63.6Low58.4Low57 Ų5787 Ų8735%0.34548%0.483SS..  trans-78.5112.6167.1172.10000107.3C84 G88 K89C84-V86 PolarHBondContact O-N 3.48Å; V86-G88 PolarHBondContact O-N 3.41Å; V86-K89 HydrophobicContact CB-CB 4.05Å; V86-K89 HydrophobicContact CG1-CB 4.04Å; V86-K89 PolarHBondContact O-N 3.42Å; V86-K89 VanDerWaalsContact O-N 3.15Å
87P55.7Low57.4Low122 Ų12291.1 Ų91.179%0.79250%0.504SS*.THydrogen-bonded Turntrans-67.598171.929.3-31.7000107.6R85R85-P87 WeakPolarHBondContact O-CD 3.49Å
88G52.1Low57.1Low62 Ų6291.1 Ų91.164%0.63950%0.504SS*.THydrogen-bonded Turntrans132.7-11.6-175.500000114.8V86V86-G88 PolarHBondContact O-N 3.41Å
89K48.9Very low57Low114 Ų11493.9 Ų93.950%0.49651%0.511SS..  trans-111.650.7166.8-157-179-176.6-179.60109.1V86V86-K89 HydrophobicContact CB-CB 4.05Å; V86-K89 HydrophobicContact CG1-CB 4.04Å; V86-K89 PolarHBondContact O-N 3.42Å; V86-K89 VanDerWaalsContact O-N 3.15Å
90E46.3Very low57.4Low116 Ų11690.9 Ų90.954%0.54249%0.49SS..  trans-58.9148.2158.8-66.2-174.7120.600106.9R85 S92R85-E90 IonicContact NH2-OE1 3.48Å; R85-E90 PolarHBondContact NH2-OE1 3.46Å; E90-S92 PolarHBondContact O-N 3.25Å; E90-S92 PolarHBondContact O-OG 3.18Å
91P47.7Very low57.8Low124 Ų12490.5 Ų90.581%0.80549%0.491SS*.  trans-69.163.7162.532.2-33.5000106.9N93P91-N93 PolarHBondContact O-N 3.01Å
92S44.6Very low58.3Low35 Ų3588.1 Ų88.125%0.24549%0.489CS..  trans-77.881.3176.741.40000105E90 L94 F95 E96E90-S92 PolarHBondContact O-N 3.25Å; E90-S92 PolarHBondContact O-OG 3.18Å; S92-L94 PolarHBondContact O-N 3.22Å; S92-F95 PolarHBondContact O-N 3.39Å; S92-F95 WeakPolarHBondContact OG-CB 3.27Å; S92-E96 PolarHBondContact O-N 3.46Å
93N44.5Very low58.8Low133 Ų13390.5 Ų90.571%0.71150%0.5SS*.THydrogen-bonded Turntrans-48.5-14.2153.6-66.5-28.3000110.9P91 I97P91-N93 PolarHBondContact O-N 3.01Å; N93-I97 WeakPolarHBondContact O-CD1 3.21Å; N93-I97 WeakPolarHBondContact O-CG1 3.28Å
94L48.1Very low59Low131 Ų13197.7 Ų97.769%0.68653%0.531SS*.THydrogen-bonded Turntrans-86.8-30.7170.6-56.8180000114.8S92 I97 D98S92-L94 PolarHBondContact O-N 3.22Å; L94-I97 WeakPolarHBondContact O-CB 3.28Å; L94-I97 PolarHBondContact O-N 3.5Å; L94-D98 PolarHBondContact O-N 2.88Å; L94-D98 VanDerWaalsContact O-N 3.15Å
95F46.9Very low59.4Low119 Ų11999.4 Ų99.452%0.52254%0.54SS..Hα-helixtrans-86.3-29.8-177.2-161.5-98.4000112.4S92 D98 Q99S92-F95 PolarHBondContact O-N 3.39Å; S92-F95 WeakPolarHBondContact OG-CB 3.27Å; F95-D98 PolarHBondContact O-N 3.23Å; F95-Q99 PolarHBondContact O-N 2.96Å; F95-Q99 VanDerWaalsContact O-N 3.08Å
96E49.7Very low59.7Low142 Ų14294.9 Ų94.966%0.66453%0.531SS*.Hα-helixtrans-67.7-29.7167.7-165.3157.2105.600111S92 T100S92-E96 PolarHBondContact O-N 3.46Å; E96-T100 WeakPolarHBondContact O-CB 3.06Å; E96-T100 WeakPolarHBondContact O-CG2 3.37Å; E96-T100 PolarHBondContact O-N 3.26Å; E96-T100 PolarHBondContact O-OG1 2.98Å
97I51.7Low60.7Low97 Ų9794 Ų9450%0.49753%0.53SS..Hα-helixtrans-67-38.2169.8-75.9172.7000111.5N93 L94 T100 A101N93-I97 WeakPolarHBondContact O-CD1 3.21Å; N93-I97 WeakPolarHBondContact O-CG1 3.28Å; L94-I97 WeakPolarHBondContact O-CB 3.28Å; L94-I97 PolarHBondContact O-N 3.5Å; I97-T100 WeakPolarHBondContact CA-OG1 3.34Å; I97-T100 PolarHBondContact O-OG1 2.86Å; I97-T100 VanDerWaalsContact O-OG1 3.06Å; I97-A101 WeakPolarHBondContact O-CB 3.4Å; I97-A101 PolarHBondContact O-N 3.33Å
98D59.9Low62.2Low102 Ų10289.7 Ų89.755%0.54551%0.507SS..Hα-helixtrans-70.6-37.5177.5-70.9-33.2000112.9L94 F95 G102L94-D98 PolarHBondContact O-N 2.88Å; L94-D98 VanDerWaalsContact O-N 3.15Å; F95-D98 PolarHBondContact O-N 3.23Å; D98-G102 PolarHBondContact O-N 3.11Å
99Q64.4Low63.7Low121 Ų12189.2 Ų89.257%0.56549%0.492SS*.Hα-helixtrans-67.5-45.6174.3-78.9-171.2-18.200111.6F95 G102 I103F95-Q99 PolarHBondContact O-N 2.96Å; F95-Q99 VanDerWaalsContact O-N 3.08Å; Q99-G102 PolarHBondContact O-N 3.31Å; Q99-I103 WeakPolarHBondContact O-CD1 3.19Å; Q99-I103 VanDerWaalsContact O-CG1 3.28Å; Q99-I103 WeakPolarHBondContact O-CG1 3.43Å; Q99-I103 PolarHBondContact O-N 3.45Å
100T69.2Low65.6Low61 Ų6188.9 Ų88.937%0.37449%0.494SS..Hα-helixtrans-65-42.517651.10000111.2E96 I97 G102 I103 F104E96-T100 WeakPolarHBondContact O-CB 3.06Å; E96-T100 WeakPolarHBondContact O-CG2 3.37Å; E96-T100 PolarHBondContact O-N 3.26Å; E96-T100 PolarHBondContact O-OG1 2.98Å; I97-T100 WeakPolarHBondContact CA-OG1 3.34Å; I97-T100 PolarHBondContact O-OG1 2.86Å; I97-T100 VanDerWaalsContact O-OG1 3.06Å; T100-G102 VanDerWaalsContact C-N 3.33Å; T100-G102 PolarHBondContact O-N 3.49Å; T100-I103 PolarHBondContact O-N 3Å; T100-F104 WeakPolarHBondContact O-CD2 3.13Å; T100-F104 PolarHBondContact O-N 2.92Å
101A70.1Confident67.6Low44 Ų4488.5 Ų88.536%0.36450%0.495SS..Hα-helixtrans-59.5-43.2174.300000111.7I97 I103 F104 V105I97-A101 WeakPolarHBondContact O-CB 3.4Å; I97-A101 PolarHBondContact O-N 3.33Å; A101-I103 VanDerWaalsContact C-N 3.32Å; A101-I103 PolarHBondContact O-N 3.05Å; A101-F104 PolarHBondContact O-N 3Å; A101-V105 VanDerWaalsContact O-CG2 3.28Å; A101-V105 WeakPolarHBondContact O-CG2 3.34Å; A101-V105 PolarHBondContact O-N 3.25Å
102G74Confident69.5Low34 Ų3485.6 Ų85.635%0.35148%0.475SS..Hα-helixtrans-59.8-40.9175.300000113D98 Q99 T100 A106D98-G102 PolarHBondContact O-N 3.11Å; Q99-G102 PolarHBondContact O-N 3.31Å; T100-G102 VanDerWaalsContact C-N 3.33Å; T100-G102 PolarHBondContact O-N 3.49Å; G102-A106 WeakPolarHBondContact O-CB 3.18Å; G102-A106 PolarHBondContact O-N 3.46Å; G102-A106 VanDerWaalsContact O-N 3.08Å
103I79.3Confident71.5Confident114 Ų11487.7 Ų87.759%0.58549%0.488SS*.Hα-helixtrans-68.5-43.8175.9-65.5159.3000110.8Q99 T100 A101 V105 A106 A107Q99-I103 WeakPolarHBondContact O-CD1 3.19Å; Q99-I103 VanDerWaalsContact O-CG1 3.28Å; Q99-I103 WeakPolarHBondContact O-CG1 3.43Å; Q99-I103 PolarHBondContact O-N 3.45Å; T100-I103 PolarHBondContact O-N 3Å; A101-I103 VanDerWaalsContact C-N 3.32Å; A101-I103 PolarHBondContact O-N 3.05Å; I103-V105 VanDerWaalsContact C-N 3.35Å; I103-V105 PolarHBondContact O-N 3.19Å; I103-A106 PolarHBondContact O-N 2.95Å; I103-A107 WeakPolarHBondContact O-CB 3.46Å; I103-A107 PolarHBondContact O-N 2.94Å
104F78.7Confident73.6Confident156 Ų15685.4 Ų85.468%0.68448%0.479SS*.Hα-helixtrans-61.5-41.5177.5-91.6-73.7000112.3T100 A101 A107 G108T100-F104 WeakPolarHBondContact O-CD2 3.13Å; T100-F104 PolarHBondContact O-N 2.92Å; A101-F104 PolarHBondContact O-N 3Å; F104-A107 PolarHBondContact O-N 3.39Å; F104-G108 PolarHBondContact O-N 3.42Å
105V80.6Confident75.6Confident74 Ų7483 Ų8345%0.44847%0.47SS..Hα-helixtrans-65.6-44.7176.1173.70000110.5A101 I103 G108 V109A101-V105 VanDerWaalsContact O-CG2 3.28Å; A101-V105 WeakPolarHBondContact O-CG2 3.34Å; A101-V105 PolarHBondContact O-N 3.25Å; I103-V105 VanDerWaalsContact C-N 3.35Å; I103-V105 PolarHBondContact O-N 3.19Å; V105-G108 PolarHBondContact O-N 3.47Å; V105-V109 WeakPolarHBondContact O-CG2 3.02Å; V105-V109 PolarHBondContact O-N 2.97Å
106A78.5Confident77.4Confident34 Ų3479.9 Ų79.928%0.28146%0.461SS..Hα-helixtrans-60.8-47176.800000111.8G102 I103 G108 V109 I110G102-A106 WeakPolarHBondContact O-CB 3.18Å; G102-A106 PolarHBondContact O-N 3.46Å; G102-A106 VanDerWaalsContact O-N 3.08Å; I103-A106 PolarHBondContact O-N 2.95Å; A106-G108 PolarHBondContact O-N 3.42Å; A106-V109 PolarHBondContact O-N 3.27Å; A106-I110 WeakPolarHBondContact O-CD1 3.24Å; A106-I110 VanDerWaalsContact O-CG1 3.3Å; A106-I110 WeakPolarHBondContact O-CG1 3.34Å; A106-I110 PolarHBondContact O-N 2.96Å
107A84.4Confident79.1Confident40 Ų4075.4 Ų75.433%0.33145%0.448SS..Hα-helixtrans-61.7-42.4176.100000111.9I103 F104 V109 I110 I111I103-A107 WeakPolarHBondContact O-CB 3.46Å; I103-A107 PolarHBondContact O-N 2.94Å; F104-A107 PolarHBondContact O-N 3.39Å; A107-V109 PolarHBondContact O-N 3.22Å; A107-I110 PolarHBondContact O-N 2.8Å; A107-I111 VanDerWaalsContact O-CG1 3.27Å; A107-I111 WeakPolarHBondContact O-CG1 3.35Å; A107-I111 PolarHBondContact O-N 2.82Å
108G85.5Confident80.8Confident31 Ų3174.3 Ų74.332%0.3245%0.445SS..Hα-helixtrans-60.7-44.5178.200000112.7F104 V105 A106 I110 I111 V112F104-G108 PolarHBondContact O-N 3.42Å; V105-G108 PolarHBondContact O-N 3.47Å; A106-G108 PolarHBondContact O-N 3.42Å; G108-I110 VanDerWaalsContact C-N 3.34Å; G108-I110 PolarHBondContact O-N 3.02Å; G108-I111 PolarHBondContact O-N 2.76Å; G108-V112 WeakPolarHBondContact O-CG2 3.08Å; G108-V112 PolarHBondContact O-N 3.49Å
109V85.7Confident81.9Confident51 Ų5172.9 Ų72.931%0.30944%0.44SS..Hα-helixtrans-62.1-43176.5175.60000111L6 V105 A106 A107 V112 C113L6-V109 HydrophobicContact CD2-CG1 4.08Å; V105-V109 WeakPolarHBondContact O-CG2 3.02Å; V105-V109 PolarHBondContact O-N 2.97Å; A106-V109 PolarHBondContact O-N 3.27Å; A107-V109 PolarHBondContact O-N 3.22Å; V109-V112 PolarHBondContact O-N 2.92Å; V109-C113 WeakPolarHBondContact O-CB 3.43Å; V109-C113 PolarHBondContact O-N 3.34Å
110I88.5Confident82.8Confident107 Ų10771.3 Ų71.355%0.54944%0.435SS..Hα-helixtrans-60.6-48.1177.8-64.7163.5000110.4A106 A107 G108 V112 C113 V114A106-I110 WeakPolarHBondContact O-CD1 3.24Å; A106-I110 VanDerWaalsContact O-CG1 3.3Å; A106-I110 WeakPolarHBondContact O-CG1 3.34Å; A106-I110 PolarHBondContact O-N 2.96Å; A107-I110 PolarHBondContact O-N 2.8Å; G108-I110 VanDerWaalsContact C-N 3.34Å; G108-I110 PolarHBondContact O-N 3.02Å; I110-V112 PolarHBondContact O-N 2.84Å; I110-C113 PolarHBondContact O-N 3.42Å; I110-V114 HydrophobicContact CG2-CG2 4.4Å; I110-V114 VanDerWaalsContact O-CG2 3.32Å; I110-V114 WeakPolarHBondContact O-CG2 3.31Å; I110-V114 PolarHBondContact O-N 3.45Å
111I88.3Confident83.4Confident108 Ų10873.6 Ų73.655%0.55444%0.444SS*.Hα-helixtrans-60.7-47.4-179.8-66.8163.3000110.7A107 G108 C113 V114 V115A107-I111 VanDerWaalsContact O-CG1 3.27Å; A107-I111 WeakPolarHBondContact O-CG1 3.35Å; A107-I111 PolarHBondContact O-N 2.82Å; G108-I111 PolarHBondContact O-N 2.76Å; I111-C113 VanDerWaalsContact C-N 3.3Å; I111-C113 PolarHBondContact O-N 3.27Å; I111-V114 PolarHBondContact O-N 2.9Å; I111-V115 HydrophobicContact CG2-CG2 4.34Å; I111-V115 VanDerWaalsContact O-CG2 3.29Å; I111-V115 WeakPolarHBondContact O-CG2 3.16Å; I111-V115 PolarHBondContact O-N 3.48Å
112V86.8Confident84.1Confident63 Ų6375.9 Ų75.938%0.38245%0.45SS..Hα-helixtrans-61.1-41.2178.4173.50000110.9L2 G108 V109 I110 V115 T116L2-V112 HydrophobicContact CD2-CG1 3.73Å; G108-V112 WeakPolarHBondContact O-CG2 3.08Å; G108-V112 PolarHBondContact O-N 3.49Å; V109-V112 PolarHBondContact O-N 2.92Å; I110-V112 PolarHBondContact O-N 2.84Å; V112-V115 PolarHBondContact O-N 3.49Å; V112-T116 HydrophobicContact CG1-CG2 4.38Å; V112-T116 WeakPolarHBondContact O-CG2 3.49Å; V112-T116 PolarHBondContact O-N 3.31Å; V112-T116 PolarHBondContact O-OG1 2.88Å; V112-T116 VanDerWaalsContact O-OG1 3.07Å
113C86.1Confident84.3Confident79 Ų7975.5 Ų75.553%0.53444%0.441SS..Hα-helixtrans-65.4-39.1178.5-137.60000112.7V109 I110 I111 T116 A117V109-C113 WeakPolarHBondContact O-CB 3.43Å; V109-C113 PolarHBondContact O-N 3.34Å; I110-C113 PolarHBondContact O-N 3.42Å; I111-C113 VanDerWaalsContact C-N 3.3Å; I111-C113 PolarHBondContact O-N 3.27Å; C113-T116 WeakPolarHBondContact CA-OG1 3.23Å; C113-T116 PolarHBondContact O-OG1 3.42Å; C113-A117 WeakPolarHBondContact O-CB 2.99Å; C113-A117 PolarHBondContact O-N 3.08Å
114V89.7Confident84.1Confident85 Ų8571.7 Ų71.752%0.51542%0.424SS..Hα-helixtrans-67.7-45.1176.1173.20000110.6I110 I111 T116 A117 V118I110-V114 HydrophobicContact CG2-CG2 4.4Å; I110-V114 VanDerWaalsContact O-CG2 3.32Å; I110-V114 WeakPolarHBondContact O-CG2 3.31Å; I110-V114 PolarHBondContact O-N 3.45Å; I111-V114 PolarHBondContact O-N 2.9Å; V114-T116 PolarHBondContact O-N 3.27Å; V114-A117 PolarHBondContact O-N 3.41Å; V114-V118 HydrophobicContact CG1-CG2 4.49Å; V114-V118 WeakPolarHBondContact O-CG2 3.47Å; V114-V118 PolarHBondContact O-N 3.18Å
115V89.3Confident84Confident81 Ų8168.9 Ų68.949%0.49142%0.423SS..Hα-helixtrans-62.5-44.6178.7172.10000110.9I111 V112 A117 V118 V119I111-V115 HydrophobicContact CG2-CG2 4.34Å; I111-V115 VanDerWaalsContact O-CG2 3.29Å; I111-V115 WeakPolarHBondContact O-CG2 3.16Å; I111-V115 PolarHBondContact O-N 3.48Å; V112-V115 PolarHBondContact O-N 3.49Å; V115-A117 PolarHBondContact O-N 3Å; V115-V118 PolarHBondContact O-N 3.08Å; V115-V119 HydrophobicContact CG1-CG2 4.29Å; V115-V119 WeakPolarHBondContact O-CB 2.97Å; V115-V119 WeakPolarHBondContact O-CG2 3.49Å; V115-V119 PolarHBondContact O-N 3.06Å
116T85Confident83.7Confident54 Ų5473.3 Ų73.333%0.33143%0.432SS..Hα-helixtrans-64.1-41.1177.353.80000111.7V112 C113 V114 V118 V119 L120V112-T116 HydrophobicContact CG1-CG2 4.38Å; V112-T116 WeakPolarHBondContact O-CG2 3.49Å; V112-T116 PolarHBondContact O-N 3.31Å; V112-T116 PolarHBondContact O-OG1 2.88Å; V112-T116 VanDerWaalsContact O-OG1 3.07Å; C113-T116 WeakPolarHBondContact CA-OG1 3.23Å; C113-T116 PolarHBondContact O-OG1 3.42Å; V114-T116 PolarHBondContact O-N 3.27Å; T116-V118 PolarHBondContact O-N 3.15Å; T116-V119 PolarHBondContact O-N 2.82Å; T116-L120 VanDerWaalsContact O-CG 3.28Å; T116-L120 WeakPolarHBondContact O-CG 3.44Å; T116-L120 PolarHBondContact O-N 3.33Å
117A84.7Confident83.1Confident48 Ų4880 Ų8040%0.39746%0.458SS..Hα-helixtrans-60-46.1175.600000112.2C113 V114 V115 L120 I121C113-A117 WeakPolarHBondContact O-CB 2.99Å; C113-A117 PolarHBondContact O-N 3.08Å; V114-A117 PolarHBondContact O-N 3.41Å; V115-A117 PolarHBondContact O-N 3Å; A117-L120 PolarHBondContact O-N 3.03Å; A117-I121 WeakPolarHBondContact O-CG1 2.87Å; A117-I121 PolarHBondContact O-N 2.83Å; A117-I121 VanDerWaalsContact O-N 3.09Å
118V87.4Confident82.4Confident73 Ų7389.4 Ų89.444%0.44248%0.484SS..Hα-helixtrans-63.9-43.4177.4173.90000111.2V114 V115 T116 L120 I121 L122V114-V118 HydrophobicContact CG1-CG2 4.49Å; V114-V118 WeakPolarHBondContact O-CG2 3.47Å; V114-V118 PolarHBondContact O-N 3.18Å; V115-V118 PolarHBondContact O-N 3.08Å; T116-V118 PolarHBondContact O-N 3.15Å; V118-L120 VanDerWaalsContact C-N 3.33Å; V118-L120 PolarHBondContact O-N 3.23Å; V118-I121 PolarHBondContact O-N 2.87Å; V118-L122 HydrophobicContact CG1-CD1 3.96Å; V118-L122 HydrophobicContact CG1-CG 4.35Å; V118-L122 WeakPolarHBondContact O-CG 3.06Å; V118-L122 PolarHBondContact O-N 2.88Å
119V84.2Confident81.4Confident73 Ų7389.5 Ų89.544%0.44248%0.48SS..Hα-helixtrans-61.6-41.5176.8170.80000111V115 T116 L122 C123V115-V119 HydrophobicContact CG1-CG2 4.29Å; V115-V119 WeakPolarHBondContact O-CB 2.97Å; V115-V119 WeakPolarHBondContact O-CG2 3.49Å; V115-V119 PolarHBondContact O-N 3.06Å; T116-V119 PolarHBondContact O-N 2.82Å; V119-L122 PolarHBondContact O-N 3.15Å; V119-C123 WeakPolarHBondContact O-CB 3.44Å; V119-C123 PolarHBondContact O-N 2.92Å; V119-C123 PolarHBondContact O-SG 3.21Å
120L82.2Confident80.3Confident87 Ų8792.5 Ų92.546%0.45550%0.5SS..Hα-helixtrans-60.4-46.8175.8-71.9174.4000111.6T116 A117 V118 C123 C124 L131T116-L120 VanDerWaalsContact O-CG 3.28Å; T116-L120 WeakPolarHBondContact O-CG 3.44Å; T116-L120 PolarHBondContact O-N 3.33Å; A117-L120 PolarHBondContact O-N 3.03Å; V118-L120 VanDerWaalsContact C-N 3.33Å; V118-L120 PolarHBondContact O-N 3.23Å; L120-C123 PolarHBondContact O-N 2.78Å; L120-C124 PolarHBondContact O-N 2.82Å; L120-C124 PolarHBondContact O-SG 3.49Å; L120-L131 HydrophobicContact CD2-CD2 3.46Å; L120-L131 VanDerWaalsContact CD2-CD2 3.46Å
121I83.1Confident78.9Confident109 Ų10991 Ų9156%0.55949%0.493SS*.Hα-helixtrans-60.2-49.4178.1-65164.9000110.5A117 V118 C123 C124 C125A117-I121 WeakPolarHBondContact O-CG1 2.87Å; A117-I121 PolarHBondContact O-N 2.83Å; A117-I121 VanDerWaalsContact O-N 3.09Å; V118-I121 PolarHBondContact O-N 2.87Å; I121-C123 PolarHBondContact O-N 3.49Å; I121-C124 PolarHBondContact O-N 3.16Å; I121-C125 PolarHBondContact O-N 3.09Å; I121-C125 VanDerWaalsContact O-N 3.11Å; I121-C125 PolarHBondContact O-SG 3.48Å
122L83.4Confident77.5Confident93 Ų9389.3 Ų89.349%0.48748%0.48SS..Hα-helixtrans-62.5-42.3178.5-68.6175.9000111.7V118 V119 C124 C125 W126V118-L122 HydrophobicContact CG1-CD1 3.96Å; V118-L122 HydrophobicContact CG1-CG 4.35Å; V118-L122 WeakPolarHBondContact O-CG 3.06Å; V118-L122 PolarHBondContact O-N 2.88Å; V119-L122 PolarHBondContact O-N 3.15Å; L122-C124 VanDerWaalsContact C-N 3.3Å; L122-C124 PolarHBondContact O-N 2.9Å; L122-C125 CarbonylContact O-C 3.59Å; L122-C125 PolarHBondContact O-N 2.78Å; L122-C125 VanDerWaalsContact O-N 3.15Å; L122-W126 WeakPolarHBondContact O-CB 3.36Å; L122-W126 PolarHBondContact O-N 3.15Å
123C78.5Confident76.1Confident25 Ų2593.1 Ų93.117%0.16950%0.498CS..Hα-helixtrans-65.3-30.3176.2-74.50000112.9V119 L120 I121 C129V119-C123 WeakPolarHBondContact O-CB 3.44Å; V119-C123 PolarHBondContact O-N 2.92Å; V119-C123 PolarHBondContact O-SG 3.21Å; L120-C123 PolarHBondContact O-N 2.78Å; I121-C123 PolarHBondContact O-N 3.49Å; C123-C129 HydrophobicContact CB-CB 3.89Å
124C75.4Confident75Confident34 Ų3495.4 Ų95.423%0.2350%0.503CS..Hα-helixtrans-71.9-31173.3-63.70000112L120 I121 L122 Y132 C135L120-C124 PolarHBondContact O-N 2.82Å; L120-C124 PolarHBondContact O-SG 3.49Å; I121-C124 PolarHBondContact O-N 3.16Å; L122-C124 VanDerWaalsContact C-N 3.3Å; L122-C124 PolarHBondContact O-N 2.9Å; C124-Y132 WeakPolarHBondContact O-CD2 3.42Å; C124-C135 HydrophobicContact CB-CB 3.82Å; C124-C135 WeakPolarHBondContact CB-SG 3.26Å; C124-C135 WeakPolarHBondContact SG-CB 3.13Å; C124-C135 CovalentContact SG-SG 2.05Å; C124-C135 PolarHBondContact SG-SG 3.22Å
125C76.7Confident73.7Confident98 Ų9894.8 Ų94.866%0.66250%0.502SS*.Hα-helixtrans-87.5-10.4177.6-62.60000113.9I121 L122I121-C125 PolarHBondContact O-N 3.09Å; I121-C125 VanDerWaalsContact O-N 3.11Å; I121-C125 PolarHBondContact O-SG 3.48Å; L122-C125 CarbonylContact O-C 3.59Å; L122-C125 PolarHBondContact O-N 2.78Å; L122-C125 VanDerWaalsContact O-N 3.15Å
126W73.5Confident72.4Confident166 Ų16697.7 Ų97.763%0.62950%0.504SS*.  trans-104.6113.1-178.5-80.847.1000110.9L122 R128 C129L122-W126 WeakPolarHBondContact O-CB 3.36Å; L122-W126 PolarHBondContact O-N 3.15Å; W126-R128 PolarHBondContact O-N 3.2Å; W126-C129 PolarHBondContact O-N 3.07Å; W126-C129 VanDerWaalsContact O-N 3.13Å
127E67.3Low71Confident176 Ų176100.4 Ų100.482%0.82252%0.521SS*.THydrogen-bonded Turntrans-59-17-179-56.6-179.3170.900114.1
128R68.1Low69.5Low237 Ų237104.8 Ų104.889%0.89453%0.533SS*.THydrogen-bonded Turntrans-89.4-4.9-179.2-68.7-166.3-179.8-1801.6114.9W126W126-R128 PolarHBondContact O-N 3.2Å
129C65.2Low67.7Low32 Ų32105.8 Ų105.822%0.21655%0.549CS..SBendtrans-92.7133.8-176.9-71.70000111.8C123 W126 L131 Y132C123-C129 HydrophobicContact CB-CB 3.89Å; W126-C129 PolarHBondContact O-N 3.07Å; W126-C129 VanDerWaalsContact O-N 3.13Å; C129-L131 PolarHBondContact O-N 2.85Å; C129-Y132 VanDerWaalsContact O-CB 3.31Å; C129-Y132 WeakPolarHBondContact O-CB 3.16Å; C129-Y132 PolarHBondContact O-N 3.09Å
130P62.5Low66.1Low115 Ų115109.5 Ų109.575%0.74756%0.559SS**THydrogen-bonded Turntrans-66.5-10.1-178.128-35.6000113.8Y132P130-Y132 VanDerWaalsContact C-N 3.33Å
131L60.1Low64.6Low75 Ų75107.2 Ų107.239%0.39355%0.55SS..THydrogen-bonded Turntrans-81.2-9.5174.2-97.682.3000114L120 C129 L133 I134 C135L120-L131 HydrophobicContact CD2-CD2 3.46Å; L120-L131 VanDerWaalsContact CD2-CD2 3.46Å; C129-L131 PolarHBondContact O-N 2.85Å; L131-L133 PolarHBondContact O-N 2.86Å; L131-I134 PolarHBondContact O-N 2.68Å; L131-C135 PolarHBondContact O-N 2.88Å
132Y57.4Low63.3Low73 Ų73110.6 Ų110.629%0.28657%0.569SS.*Hα-helixtrans-55.5-38.2179.1-175.1-100.7000112.4C124 C129 P130 I134 C135 R136C124-Y132 WeakPolarHBondContact O-CD2 3.42Å; C129-Y132 VanDerWaalsContact O-CB 3.31Å; C129-Y132 WeakPolarHBondContact O-CB 3.16Å; C129-Y132 PolarHBondContact O-N 3.09Å; P130-Y132 VanDerWaalsContact C-N 3.33Å; Y132-I134 VanDerWaalsContact C-N 3.27Å; Y132-I134 PolarHBondContact O-N 3.35Å; Y132-C135 PolarHBondContact O-N 3.49Å; Y132-R136 HydrophobicContact CE1-CB 4.32Å; Y132-R136 WeakPolarHBondContact O-CB 3.41Å; Y132-R136 PolarHBondContact O-N 2.91Å; Y132-R136 PolarHBondContact OH-NH1 2.98Å
133L57.9Low62.1Low143 Ų143115.2 Ų115.275%0.74958%0.581SS**Hα-helixtrans-65.1-22.5178.9-100.8132.4000114.7L131L131-L133 PolarHBondContact O-N 2.86Å
134I63.4Low60.8Low126 Ų126119 Ų11965%0.64660%0.599SS**Hα-helixtrans-89.9-35.7177.7-59.9167.8000110.2L131 Y132 T137L131-I134 PolarHBondContact O-N 2.68Å; Y132-I134 VanDerWaalsContact C-N 3.27Å; Y132-I134 PolarHBondContact O-N 3.35Å; I134-T137 WeakPolarHBondContact O-CG2 3.31Å; I134-T137 PolarHBondContact O-N 2.83Å
135C62.6Low59.6Low72 Ų72120.6 Ų120.649%0.48661%0.614SS.*Hα-helixtrans-76.4-35.7-178.8-1420000111.6C124 L131 Y132 T137C124-C135 HydrophobicContact CB-CB 3.82Å; C124-C135 WeakPolarHBondContact CB-SG 3.26Å; C124-C135 WeakPolarHBondContact SG-CB 3.13Å; C124-C135 CovalentContact SG-SG 2.05Å; C124-C135 PolarHBondContact SG-SG 3.22Å; L131-C135 PolarHBondContact O-N 2.88Å; Y132-C135 PolarHBondContact O-N 3.49Å; C135-T137 PolarHBondContact O-N 3.47Å; C135-T137 VanDerWaalsContact O-N 3.15Å
136R61.3Low58.3Low142 Ų142120.9 Ų120.954%0.53661%0.613SS.*SBendtrans-84.265.9161.7-161-179.6-169.3153.4-1.5107.2Y132 E138Y132-R136 HydrophobicContact CE1-CB 4.32Å; Y132-R136 WeakPolarHBondContact O-CB 3.41Å; Y132-R136 PolarHBondContact O-N 2.91Å; Y132-R136 PolarHBondContact OH-NH1 2.98Å; R136-E138 PolarHBondContact O-N 3.45Å
137T56.5Low57.4Low112 Ų112116.2 Ų116.269%0.68762%0.616SS**  trans-54.4102.6161.353.30000104.8I134 C135 A139I134-T137 WeakPolarHBondContact O-CG2 3.31Å; I134-T137 PolarHBondContact O-N 2.83Å; C135-T137 PolarHBondContact O-N 3.47Å; C135-T137 VanDerWaalsContact O-N 3.15Å; T137-A139 PolarHBondContact O-N 3.5Å
138E52Low56.7Low139 Ų139115.5 Ų115.565%0.6562%0.618SS**  trans-45.4111.1166.7-68.8-7314200104.4R136 K140R136-E138 PolarHBondContact O-N 3.45Å; E138-K140 PolarHBondContact O-N 3.46Å
139A51.2Low56Low95 Ų95111.6 Ų111.679%0.78561%0.61SS**  trans-63.475.6157.200000103.7T137 P141T137-A139 PolarHBondContact O-N 3.5Å; A139-P141 WeakPolarHBondContact O-CD 3.5Å
140K49.2Very low55.5Low150 Ų150113.5 Ų113.565%0.65262%0.621SS**  trans-58.6111.6178.4-176.4162-179.9157.90102.5E138 D142E138-K140 PolarHBondContact O-N 3.46Å; K140-D142 PolarHBondContact O-N 1.99Å; K140-D142 VanDerWaalsContact O-N 3.14Å
141P50.6Low55Low40 Ų40113 Ų11326%0.2662%0.615SS.*  trans-63.8125.8175.8-7.721.8000105.4A139 Y143 I144A139-P141 WeakPolarHBondContact O-CD 3.5Å; P141-Y143 HydrophobicContact CB-CD1 3.17Å; P141-Y143 HydrophobicContact CB-CD2 4.24Å; P141-Y143 HydrophobicContact CB-CE1 2.95Å; P141-Y143 HydrophobicContact CB-CE2 4.04Å; P141-Y143 HydrophobicContact CB-CG 3.83Å; P141-Y143 HydrophobicContact CG-CD1 4.28Å; P141-Y143 HydrophobicContact CG-CE1 3.65Å; P141-Y143 HydrophobicContact CG-CE2 4.25Å; P141-Y143 PolarHBondContact O-N 3.03Å; P141-I144 HydrophobicContact CG-CD1 4.49Å; P141-I144 PolarHBondContact O-N 3.19Å
142D56.3Low54.7Low179 Ų179117.7 Ų117.796%0.95763%0.629SS**THydrogen-bonded Turntrans-6224.8173.6-87.9-34.2000113K140K140-D142 PolarHBondContact O-N 1.99Å; K140-D142 VanDerWaalsContact O-N 3.14Å
143Y57.9Low54.8Low190 Ų190119.6 Ų119.675%0.74565%0.652SS**THydrogen-bonded Turntrans-115.8-1.2178.167.6-114.3000114.7P141 A145P141-Y143 HydrophobicContact CB-CD1 3.17Å; P141-Y143 HydrophobicContact CB-CD2 4.24Å; P141-Y143 HydrophobicContact CB-CE1 2.95Å; P141-Y143 HydrophobicContact CB-CE2 4.04Å; P141-Y143 HydrophobicContact CB-CG 3.83Å; P141-Y143 HydrophobicContact CG-CD1 4.28Å; P141-Y143 HydrophobicContact CG-CE1 3.65Å; P141-Y143 HydrophobicContact CG-CE2 4.25Å; P141-Y143 PolarHBondContact O-N 3.03Å; Y143-A145 PolarHBondContact O-N 2.96Å
144I51.7Low55Low106 Ų106116.9 Ų116.954%0.54465%0.651SS.*  trans-8892.4177.8-47.3175.9000108.8P141 T146P141-I144 HydrophobicContact CG-CD1 4.49Å; P141-I144 PolarHBondContact O-N 3.19Å; I144-T146 PolarHBondContact O-N 3.05Å
145A49.4Very low54.7Low67 Ų67117.8 Ų117.855%0.55465%0.654SS**  trans-52.7124171.500000110.2Y143 G147Y143-A145 PolarHBondContact O-N 2.96Å; A145-G147 PolarHBondContact O-N 3.21Å
146T51.1Low54.7Low104 Ų104120.4 Ų120.464%0.63867%0.67SS**  trans-51.5130.8171.5-51.40000109.1I144 D148I144-T146 PolarHBondContact O-N 3.05Å; T146-D148 PolarHBondContact O-N 2.96Å
147G52.9Low54.6Low67 Ų67119.3 Ų119.369%0.69168%0.679SS**THydrogen-bonded Turntrans-6928.5-163.900000117.8A145A145-G147 PolarHBondContact O-N 3.21Å
148D53.8Low54.5Low161 Ų161123 Ų12386%0.86169%0.689SS**THydrogen-bonded Turntrans-1186-179.5-83.9-30.8000114.2T146T146-D148 PolarHBondContact O-N 2.96Å
149E54Low54.4Low156 Ų156122.7 Ų122.773%0.72969%0.691SS**SBendtrans-134.412.5-177.443.6-165.7140.700114.9V151E149-V151 PolarHBondContact O-N 1.99Å
150V54Low54.5Low72 Ų72127.7 Ų127.744%0.43670%0.699SS.*  trans-94.599.5176.8-163.30000110.2Y152V150-Y152 VanDerWaalsContact C-N 3.33Å; V150-Y152 HydrophobicContact CB-CD2 4.47Å; V150-Y152 HydrophobicContact CB-CE2 4.09Å; V150-Y152 HydrophobicContact CG1-CE2 4.37Å; V150-Y152 WeakPolarHBondContact O-CD2 3.08Å; V150-Y152 PolarHBondContact O-N 3.4Å
151V51.1Low54.7Low104 Ų104128.6 Ų128.663%0.6371%0.705SS**  trans-67.591.6168.3178.60000108.3E149 S153 A154E149-V151 PolarHBondContact O-N 1.99Å; V151-S153 VanDerWaalsContact CG1-OG 3.25Å; V151-S153 WeakPolarHBondContact CG1-OG 3.16Å; V151-S153 PolarHBondContact O-N 3.17Å; V151-A154 PolarHBondContact O-N 2.79Å
152Y55.3Low54.6Low174 Ų174134 Ų13468%0.68273%0.732SS**G310 helixtrans-60.7-9.9174.5-73.6-84.9000113.4V150 A154V150-Y152 VanDerWaalsContact C-N 3.33Å; V150-Y152 HydrophobicContact CB-CD2 4.47Å; V150-Y152 HydrophobicContact CB-CE2 4.09Å; V150-Y152 HydrophobicContact CG1-CE2 4.37Å; V150-Y152 WeakPolarHBondContact O-CD2 3.08Å; V150-Y152 PolarHBondContact O-N 3.4Å; Y152-A154 PolarHBondContact O-N 3.05Å
153S58.8Low54.2Low112 Ų112133.5 Ų133.578%0.78373%0.728SS**G310 helixtrans-71.1-5.1179.6-22.80000114.9V151V151-S153 VanDerWaalsContact CG1-OG 3.25Å; V151-S153 WeakPolarHBondContact CG1-OG 3.16Å; V151-S153 PolarHBondContact O-N 3.17Å
154A61.2Low54Low86 Ų86132.9 Ų132.971%0.71173%0.729SS**G310 helixtrans-104.80.3-178.500000114.2V151 Y152V151-A154 PolarHBondContact O-N 2.79Å; Y152-A154 PolarHBondContact O-N 3.05Å
155M57.2Low53.9Low145 Ų145135 Ų13571%0.71474%0.741SS**SBendtrans-85.5130.9173.6-86.2-172.3-174.600110.7T157M155-T157 PolarHBondContact O-N 3.25Å; M155-T157 VanDerWaalsContact O-N 3.11Å
156P62.9Low53.8Low127 Ų127141.4 Ų141.483%0.82575%0.752SS**  trans-65.6113.4172.427-31.2000108.5E158P156-E158 PolarHBondContact O-N 2.83Å
157T59.4Low54.1Low119 Ų119140.7 Ų140.773%0.7376%0.757SS**  trans-64.1122.7170.647.50000108.3M155 N159M155-T157 PolarHBondContact O-N 3.25Å; M155-T157 VanDerWaalsContact O-N 3.11Å; T157-N159 PolarHBondContact O-N 3.28Å; T157-N159 PolarHBondContact O-OD1 2.86Å
158E55.4Low54.3Low191 Ų191142 Ų14289%0.89375%0.754SS**  trans-72102.3166.857.4-161.6129.500108.6P156 E160P156-E158 PolarHBondContact O-N 2.83Å; E158-E160 PolarHBondContact O-N 2.8Å; E158-E160 VanDerWaalsContact O-N 3.15Å
159N50Low54.2Low131 Ų131141.3 Ų141.370%0.70175%0.75SS**  trans-70.9103.9175.2-1.6-25.4000108.8T157 E161T157-N159 PolarHBondContact O-N 3.28Å; T157-N159 PolarHBondContact O-OD1 2.86Å; N159-E161 VanDerWaalsContact C-N 3.32Å; N159-E161 PolarHBondContact O-N 2.93Å
160E53.2Low53.9Low201 Ų201143.5 Ų143.594%0.93976%0.76SS**SBendtrans32.715.9143.8-69-169.3106.300123.6E158E158-E160 PolarHBondContact O-N 2.8Å; E158-E160 VanDerWaalsContact O-N 3.15Å
161E52.9Low53.4Low168 Ų168150.8 Ų150.879%0.78578%0.78SS**SBendtrans-124.3-9-172.5-54.6-167.5-171.500117.8N159N159-E161 VanDerWaalsContact C-N 3.32Å; N159-E161 PolarHBondContact O-N 2.93Å
162D47.9Very low53.3Low155 Ų155151.8 Ų151.883%0.82979%0.786SS**  trans-140.578.4-178.9-84.6-52.6000113.3K164D162-K164 PolarHBondContact O-N 3.09Å
163L49.4Very low52.7Low167 Ų167148.8 Ų148.887%0.87479%0.786SS**  trans-70.467.8168.2-158.393.1000110.7L165L163-L165 HydrophobicContact CD2-CD1 4.22Å; L163-L165 HydrophobicContact CG-CD1 4.34Å; L163-L165 PolarHBondContact O-N 2.05Å
164K52.6Low52Low177 Ų177150.2 Ų150.277%0.7779%0.79SS**  trans-89.685.2176-154.7170-171.7172.80109.7D162 Y166D162-K164 PolarHBondContact O-N 3.09Å; K164-Y166 PolarHBondContact O-N 3.11Å
165L50.7Low51.3Low150 Ų150154 Ų15479%0.78582%0.822SS**  trans-53.1106.6167.9-113.377.1000109.5L163 A167L163-L165 HydrophobicContact CD2-CD1 4.22Å; L163-L165 HydrophobicContact CG-CD1 4.34Å; L163-L165 PolarHBondContact O-N 2.05Å; L165-A167 PolarHBondContact O-N 3.19Å
166Y45.6Very low51Low202 Ų202154.5 Ų154.579%0.79283%0.827SS**  trans-94.987.4173.7-143.6-85000108.5K164K164-Y166 PolarHBondContact O-N 3.11Å
167A57.1Low50.3Low90 Ų90155.9 Ų155.974%0.74483%0.827SS**  trans-91.5116.2164.600000108L165L165-A167 PolarHBondContact O-N 3.19Å
168P57.5Low49.8Very low95 Ų95158 Ų15862%0.61783%0.832SS**  trans-75.5148.9-176.632.4-33.3000110.6
169N51.7Low49.5Very low145 Ų145156.1 Ų156.178%0.77583%0.829SS**  trans59.180.2155.750.6-22.4000120.6
170Q47.9Very low49.5Very low202 Ų202157.6 Ų157.694%0.94484%0.837SS**  trans-66.4123.1148.2-71.1-174.8-18.700110.5
171R44.8Very low49.2Very low225 Ų225154.7 Ų154.785%0.84983%0.83SS**  trans-110.6146.6160.6-90.5-170.3-179.2-1731.3108.4
172T47.1Very low49Very low126 Ų126153.8 Ų153.877%0.77383%0.833SS**  trans70.1134.1158.233.10000116.9
173T44.2Very low49Very low110 Ų110153.7 Ų153.768%0.67583%0.834SS**  cis172.2149.1-10.1120000104.8
174V43.3Very low49Very low143 Ų143152.6 Ų152.687%0.86783%0.83SS**  trans71.4132.7148.8178.30000114.5
175A45.5Very low48.7Very low166 Ų166150.4 Ų150.4100%1.37284%0.836SS**  cis-141.501900000109.9

Retrieved 175 of 175 residues in 79.4 ms (Link to these results)