A0A087XI17_POEFO Loading...

Thioredoxin domain containing 15

AlphaFold DB , UniProt , Accession A0A087XI17, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 346 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M46.3Very low52.9Low241 Ų241143.5 Ų143.5100%1.18767%0.669SS**  0-14.50-129.3158.8178.300115.5R3M1-R3 PolarHBondContact O-N 3.25Å
2S50.1Low53.9Low105 Ų105141.7 Ų141.773%0.73466%0.658SS**G310 helixtrans-79-5.3-161.9-118.30000119.2K4S2-K4 VanDerWaalsContact C-N 3.35Å; S2-K4 PolarHBondContact O-N 3.23Å
3R47.2Very low54.8Low220 Ų220134.4 Ų134.483%0.8363%0.629SS**G310 helixtrans-73-21.4-172.1-132.8178.6-165.2-178.85.1114.4M1M1-R3 PolarHBondContact O-N 3.25Å
4K46.6Very low55.4Low187 Ų187130.9 Ų130.981%0.81362%0.616SS**G310 helixtrans-80.9-26.3-178.7-80.8-173.3174.5-177.80114.4S2 P8S2-K4 VanDerWaalsContact C-N 3.35Å; S2-K4 PolarHBondContact O-N 3.23Å; K4-P8 WeakPolarHBondContact O-CD 3.26Å; K4-P8 WeakPolarHBondContact O-CG 3.32Å
5Y49.2Very low56.1Low189 Ų189127.5 Ų127.574%0.74160%0.603SS**THydrogen-bonded Turntrans-84.2-12.8-179.4-83.6-88.8000114.4P8Y5-P8 WeakPolarHBondContact O-CD 3.23Å; Y5-P8 WeakPolarHBondContact O-CG 3.24Å
6R52.5Low56.6Low103 Ų103127.3 Ų127.339%0.38960%0.599SS.*Hα-helixtrans-78.2-36.5-176.2-166.7175.6-175.21763.1114.4D331R6-D331 IonicContact CZ-OD1 3.69Å; R6-D331 IonicContact NE-OD1 3.91Å; R6-D331 IonicContact NH2-OD1 2.72Å; R6-D331 PolarHBondContact NH2-OD1 3.19Å
7K51.8Low56.7Low169 Ų169124.2 Ų124.274%0.73559%0.586SS**Hα-helixtrans-63.9-54171.8-75.6-169.7174.3-171.30112.3F9 I10 T11K7-F9 PolarHBondContact O-N 3.31Å; K7-I10 PolarHBondContact O-N 3.06Å; K7-T11 PolarHBondContact O-N 3.12Å; K7-T11 PolarHBondContact O-OG1 2.53Å
8P54Low56.8Low66 Ų66125.1 Ų125.143%0.42959%0.588SS.*Hα-helixtrans-61.7-28.7-175.823.1-33.5000113K4 Y5 F12K4-P8 WeakPolarHBondContact O-CD 3.26Å; K4-P8 WeakPolarHBondContact O-CG 3.32Å; Y5-P8 WeakPolarHBondContact O-CD 3.23Å; Y5-P8 WeakPolarHBondContact O-CG 3.24Å; P8-F12 WeakPolarHBondContact O-CA 3.43Å; P8-F12 WeakPolarHBondContact O-CB 3.3Å; P8-F12 PolarHBondContact O-N 2.95Å
9F59Low56.7Low144 Ų144125.5 Ų125.563%0.63259%0.59SS**Hα-helixtrans-68-44.6176.8-160.9-97.3000113.1K7 F12 V13K7-F9 PolarHBondContact O-N 3.31Å; F9-F12 PolarHBondContact O-N 3.21Å; F9-V13 HydrophobicContact CD1-CG2 4.24Å; F9-V13 HydrophobicContact CE1-CG2 4Å; F9-V13 WeakPolarHBondContact O-CG2 3.44Å; F9-V13 PolarHBondContact O-N 3.33Å
10I61.9Low56.7Low80 Ų80120.9 Ų120.941%0.4157%0.572SS.*Hα-helixtrans-66.6-42175.3-64.2169.5000110.2K7 F12 V13 L14K7-I10 PolarHBondContact O-N 3.06Å; I10-F12 VanDerWaalsContact C-N 3.29Å; I10-F12 PolarHBondContact O-N 3.48Å; I10-V13 PolarHBondContact O-N 3.08Å; I10-L14 HydrophobicContact CG2-CD1 4.04Å; I10-L14 WeakPolarHBondContact O-CB 3.26Å; I10-L14 WeakPolarHBondContact O-CG 3.4Å; I10-L14 PolarHBondContact O-N 3.02Å
11T63.3Low56.5Low75 Ų75119.6 Ų119.646%0.4657%0.573SS.*Hα-helixtrans-65.2-32.6174.5-46.30000111.8K7 L15K7-T11 PolarHBondContact O-N 3.12Å; K7-T11 PolarHBondContact O-OG1 2.53Å; T11-L15 HydrophobicContact CG2-CD1 4.02Å; T11-L15 HydrophobicContact CG2-CG 4.43Å; T11-L15 WeakPolarHBondContact O-CB 3.45Å; T11-L15 WeakPolarHBondContact O-CD1 3.42Å; T11-L15 WeakPolarHBondContact O-CG 3.26Å; T11-L15 PolarHBondContact O-N 3.16Å
12F64.7Low56.8Low121 Ų121112 Ų11253%0.53155%0.548SS..Hα-helixtrans-75.5-36.4177.8-169.8-92.8000111.8P8 F9 I10 L15 F16P8-F12 WeakPolarHBondContact O-CA 3.43Å; P8-F12 WeakPolarHBondContact O-CB 3.3Å; P8-F12 PolarHBondContact O-N 2.95Å; F9-F12 PolarHBondContact O-N 3.21Å; I10-F12 VanDerWaalsContact C-N 3.29Å; I10-F12 PolarHBondContact O-N 3.48Å; F12-L15 CarbonylContact O-C 3.57Å; F12-F16 HydrophobicContact CD1-CD2 4.15Å; F12-F16 AromaticContact CE1-CD2 3.61Å; F12-F16 HydrophobicContact CE1-CD2 3.61Å; F12-F16 AromaticContact CE1-CE2 3.82Å; F12-F16 HydrophobicContact CE1-CE2 3.82Å; F12-F16 AromaticContact CZ-CD2 4Å; F12-F16 HydrophobicContact CZ-CD2 4Å; F12-F16 AromaticContact CZ-CE2 3.95Å; F12-F16 HydrophobicContact CZ-CE2 3.95Å; F12-F16 WeakPolarHBondContact O-CB 3.38Å; F12-F16 PolarHBondContact O-N 3.25Å
13V65.4Low56.7Low47 Ų47111.2 Ų111.229%0.28553%0.534SS..Hα-helixtrans-67.7-44.1171.5171.20000110.9F9 I10 F16 I17F9-V13 HydrophobicContact CD1-CG2 4.24Å; F9-V13 HydrophobicContact CE1-CG2 4Å; F9-V13 WeakPolarHBondContact O-CG2 3.44Å; F9-V13 PolarHBondContact O-N 3.33Å; I10-V13 PolarHBondContact O-N 3.08Å; V13-F16 PolarHBondContact O-N 3.49Å; V13-I17 HydrophobicContact CG1-CD1 4.11Å; V13-I17 WeakPolarHBondContact O-CG1 3.32Å; V13-I17 PolarHBondContact O-N 3.17Å
14L64Low56.7Low86 Ų86105.1 Ų105.145%0.4552%0.518SS..Hα-helixtrans-63-44173.6-71.2170.4000111.2I10 F16 I17 F18I10-L14 HydrophobicContact CG2-CD1 4.04Å; I10-L14 WeakPolarHBondContact O-CB 3.26Å; I10-L14 WeakPolarHBondContact O-CG 3.4Å; I10-L14 PolarHBondContact O-N 3.02Å; L14-F16 VanDerWaalsContact C-N 3.33Å; L14-F16 PolarHBondContact O-N 3.37Å; L14-I17 PolarHBondContact O-N 3.23Å; L14-F18 WeakPolarHBondContact O-CB 3.45Å; L14-F18 WeakPolarHBondContact O-CD2 3.26Å; L14-F18 PolarHBondContact O-N 3.1Å
15L65.8Low56.4Low79 Ų79100.1 Ų100.141%0.41451%0.507SS..Hα-helixtrans-63.4-35.6172-77.3166.9000111.7T11 F12 I17 F18 H19T11-L15 HydrophobicContact CG2-CD1 4.02Å; T11-L15 HydrophobicContact CG2-CG 4.43Å; T11-L15 WeakPolarHBondContact O-CB 3.45Å; T11-L15 WeakPolarHBondContact O-CD1 3.42Å; T11-L15 WeakPolarHBondContact O-CG 3.26Å; T11-L15 PolarHBondContact O-N 3.16Å; F12-L15 CarbonylContact O-C 3.57Å; L15-I17 VanDerWaalsContact C-N 3.28Å; L15-I17 PolarHBondContact O-N 3.24Å; L15-F18 CarbonylContact O-C 3.59Å; L15-F18 PolarHBondContact O-N 3.31Å; L15-H19 WeakPolarHBondContact O-CA 2.99Å; L15-H19 WeakPolarHBondContact O-CB 3.26Å; L15-H19 PolarHBondContact O-N 3.1Å
16F64.2Low56.2Low124 Ų12497 Ų9754%0.54450%0.502SS..Hα-helixtrans-65.6-34.3174.8-128.3-92.9000111.5F12 V13 L14 S20F12-F16 HydrophobicContact CD1-CD2 4.15Å; F12-F16 AromaticContact CE1-CD2 3.61Å; F12-F16 HydrophobicContact CE1-CD2 3.61Å; F12-F16 AromaticContact CE1-CE2 3.82Å; F12-F16 HydrophobicContact CE1-CE2 3.82Å; F12-F16 AromaticContact CZ-CD2 4Å; F12-F16 HydrophobicContact CZ-CD2 4Å; F12-F16 AromaticContact CZ-CE2 3.95Å; F12-F16 HydrophobicContact CZ-CE2 3.95Å; F12-F16 WeakPolarHBondContact O-CB 3.38Å; F12-F16 PolarHBondContact O-N 3.25Å; V13-F16 PolarHBondContact O-N 3.49Å; L14-F16 VanDerWaalsContact C-N 3.33Å; L14-F16 PolarHBondContact O-N 3.37Å; F16-S20 WeakPolarHBondContact O-CB 3.41Å; F16-S20 PolarHBondContact O-N 3.23Å; F16-S20 PolarHBondContact O-OG 3.19Å
17I58.5Low55.6Low75 Ų7596.6 Ų96.639%0.38552%0.515SS..Hα-helixtrans-72.4-39.5174.1-67164.9000111.1V13 L14 L15V13-I17 HydrophobicContact CG1-CD1 4.11Å; V13-I17 WeakPolarHBondContact O-CG1 3.32Å; V13-I17 PolarHBondContact O-N 3.17Å; L14-I17 PolarHBondContact O-N 3.23Å; L15-I17 VanDerWaalsContact C-N 3.28Å; L15-I17 PolarHBondContact O-N 3.24Å
18F57.3Low55.1Low141 Ų14192.5 Ų92.562%0.61851%0.513SS*.Hα-helixtrans-89.6-10.6-178.6-77.6-67.4000115.8L14 L15 L24L14-F18 WeakPolarHBondContact O-CB 3.45Å; L14-F18 WeakPolarHBondContact O-CD2 3.26Å; L14-F18 PolarHBondContact O-N 3.1Å; L15-F18 CarbonylContact O-C 3.59Å; L15-F18 PolarHBondContact O-N 3.31Å; F18-L24 WeakPolarHBondContact O-CD1 3.2Å
19H56.3Low54.3Low133 Ų13397 Ų9762%0.61653%0.528SS*.Hα-helixtrans-127.41.4178.9-75.111.3000113.3L15 P21L15-H19 WeakPolarHBondContact O-CA 2.99Å; L15-H19 WeakPolarHBondContact O-CB 3.26Å; L15-H19 PolarHBondContact O-N 3.1Å; H19-P21 VanDerWaalsContact O-CD 3.29Å; H19-P21 WeakPolarHBondContact O-CD 3.44Å; H19-P21 VanDerWaalsContact O-N 3.15Å
20S56.2Low53.1Low33 Ų3395.8 Ų95.823%0.23153%0.533CS..  trans-59.7120.5164-80.90000108.2F16 A22 M23 L24F16-S20 WeakPolarHBondContact O-CB 3.41Å; F16-S20 PolarHBondContact O-N 3.23Å; F16-S20 PolarHBondContact O-OG 3.19Å; S20-A22 PolarHBondContact O-N 3.38Å; S20-A22 VanDerWaalsContact O-N 3.09Å; S20-M23 PolarHBondContact O-N 3.06Å; S20-L24 PolarHBondContact O-N 2.89Å
21P52.6Low51.7Low94 Ų9497 Ų9761%0.6155%0.554SS**Hα-helixtrans-60.2-25.1179.923-32.3000111.6H19 M23 L24 S25H19-P21 VanDerWaalsContact O-CD 3.29Å; H19-P21 WeakPolarHBondContact O-CD 3.44Å; H19-P21 VanDerWaalsContact O-N 3.15Å; P21-M23 PolarHBondContact O-N 3.32Å; P21-L24 PolarHBondContact O-N 2.95Å; P21-S25 WeakPolarHBondContact O-CB 3.33Å; P21-S25 PolarHBondContact O-N 3.48Å; P21-S25 PolarHBondContact O-OG 3.48Å
22A51.6Low50.4Low80 Ų80103.1 Ų103.166%0.66158%0.578SS**Hα-helixtrans-57.9-25.8172.300000115.1S20S20-A22 PolarHBondContact O-N 3.38Å; S20-A22 VanDerWaalsContact O-N 3.09Å
23M49.3Very low48.6Very low89 Ų89100.6 Ų100.644%0.43859%0.586SS.*Hα-helixtrans-97.5-38.9175-84.3-71.9175.500112.4S20 P21 L26 I316S20-M23 PolarHBondContact O-N 3.06Å; P21-M23 PolarHBondContact O-N 3.32Å; M23-L26 PolarHBondContact O-N 2.92Å; M23-I316 HydrophobicContact CE-CG2 4.08Å
24L46.1Very low46.9Very low92 Ų92104.9 Ų104.948%0.48261%0.612SS.*Hα-helixtrans-71.3-37.2179.2-79.2172.6000113.1F18 S20 P21 L26 S27 A28F18-L24 WeakPolarHBondContact O-CD1 3.2Å; S20-L24 PolarHBondContact O-N 2.89Å; P21-L24 PolarHBondContact O-N 2.95Å; L24-L26 PolarHBondContact O-N 2.92Å; L24-S27 PolarHBondContact O-N 2.98Å; L24-A28 PolarHBondContact O-N 3.47Å
25S41.6Very low45.1Very low83 Ų83108 Ų10858%0.5863%0.629SS**THydrogen-bonded Turntrans-65-18.8175.2-68.40000113.3P21 S27P21-S25 WeakPolarHBondContact O-CB 3.33Å; P21-S25 PolarHBondContact O-N 3.48Å; P21-S25 PolarHBondContact O-OG 3.48Å; S25-S27 VanDerWaalsContact C-N 3.29Å
26L44.1Very low43.3Very low124 Ų124112.7 Ų112.765%0.64965%0.649SS**THydrogen-bonded Turntrans-76.9-14172.8-118.177.4000113.6M23 L24M23-L26 PolarHBondContact O-N 2.92Å; L24-L26 PolarHBondContact O-N 2.92Å
27S40.9Very low41.6Very low93 Ų93111 Ų11165%0.6565%0.653SS**THydrogen-bonded Turntrans-107.9-7.5-177.9-59.40000114L24 S25L24-S27 PolarHBondContact O-N 2.98Å; S25-S27 VanDerWaalsContact C-N 3.29Å
28A40.9Very low40.3Very low84 Ų84113.1 Ų113.169%0.69467%0.672SS**SBendtrans-106.4-4.2-167.800000115.3L24L24-A28 PolarHBondContact O-N 3.47Å
29E37.4Very low38.8Very low160 Ų160114.8 Ų114.875%0.74868%0.681SS**  trans-107.158.7178.2-140.8167.9121.400110.6R306E29-R306 IonicContact OE1-NH1 3.64Å; E29-R306 PolarHBondContact OE1-NH1 3.36Å
30T33.1Very low37.3Very low119 Ų119115.4 Ų115.473%0.7369%0.694SS**  trans-122.6129166.448.90000110.7
31A33.3Very low35.8Very low104 Ų104119.4 Ų119.486%0.8672%0.717SS**  trans66.589.6169.300000117.8
32E34.8Very low34.5Very low204 Ų204122.6 Ų122.695%0.95373%0.728SS**  -133.593.1128.4-156173167.700108.7
33G28.1Very low33.2Very low68 Ų68123.8 Ų123.870%0.70173%0.731SS**  trans-134.1109.1176.500000108D35G33-D35 PolarHBondContact O-N 3.24Å
34T28.5Very low32.1Very low137 Ų137128.1 Ų128.184%0.8475%0.75SS**  trans-60.6122.7-175.6-47.60000111
35D26.2Very low31.2Very low152 Ų152132.8 Ų132.881%0.81377%0.77SS**  trans-85117.1172.9-173.418000109.5G33G33-D35 PolarHBondContact O-N 3.24Å
36E27.9Very low30.5Very low178 Ų178133.4 Ų133.483%0.83277%0.774SS**  trans-127.9101.6167.3-156177.4146.900108.7
37S28.1Very low29.8Very low88 Ų88136.3 Ų136.362%0.61578%0.784SS**  trans-65.6152.3179.8178.70000112.1
38P31.1Very low29.2Very low120 Ų120139.3 Ų139.378%0.77979%0.793SS**  -120.1151.6126.1-4.924.7000114.3
39Q27.3Very low28.5Very low176 Ų176144.5 Ų144.582%0.82280%0.8SS**  trans-67.6145-179.5-62166.1-10.500112.7
40V24.8Very low28.5Very low145 Ų145142 Ų14288%0.87980%0.798SS**  trans-113.5120.3159177.90000108.4
41V25.3Very low28.1Very low117 Ų117141.7 Ų141.771%0.70980%0.801SS**  trans-74.3127.5176.9174.30000109.2
42L23.9Very low27.6Very low161 Ų161144.3 Ų144.384%0.84379%0.793SS**  trans-82131.1169.3-171.473.9000109.1
43S25.2Very low27.3Very low106 Ų106141.3 Ų141.374%0.74179%0.788SS**  trans-128.3122.6169.3-60.40000109
44E25.9Very low27.4Very low179 Ų179144.7 Ų144.784%0.83679%0.786SS**  trans-78.9142.5171.4-56.5173.6127.900109.6
45E26.3Very low27.4Very low191 Ų191143.4 Ų143.489%0.89378%0.782SS**  -173.2155.4128.6-116.1-169123.900115.2
46S27.7Very low27.6Very low96 Ų96144.9 Ų144.967%0.67178%0.784SS**  trans76.299.7148.4-151.20000120.2
47E29.8Very low27.6Very low184 Ų184144.8 Ų144.886%0.8678%0.784SS**  trans-52.7147.9148.8-62.8170.788.400111.7
48N27.1Very low27.7Very low156 Ų156147.5 Ų147.583%0.83479%0.791SS**  trans-163.8133.8141.1-105-56.9000113
49K27.6Very low27.5Very low193 Ų193148 Ų14884%0.83979%0.787SS**  trans-146.7117.9172.6-170.2-134.1-178.2178.30107.4
50P35.6Very low27.7Very low109 Ų109144 Ų14471%0.70878%0.779SS**  -142.1-177.899.341.9-26.8000111.3
51S25.6Very low28.1Very low112 Ų112145.4 Ų145.478%0.78378%0.78SS**  cis-141.7-167.212.4-43.10000111.6
52F23.6Very low28.5Very low159 Ų159145.3 Ų145.370%0.69778%0.782SS**  trans-116.5141.2171.4177.8-96.6000109.6E54F52-E54 HydrophobicContact CD1-CB 4.32Å; F52-E54 HydrophobicContact CE1-CB 3.48Å; F52-E54 VanDerWaalsContact CE1-CB 3.48Å; F52-E54 HydrophobicContact CE1-CG 4.36Å; F52-E54 VanDerWaalsContact CE1-OE2 3.26Å; F52-E54 WeakPolarHBondContact CE1-OE2 3.3Å; F52-E54 HydrophobicContact CZ-CB 3.69Å; F52-E54 HydrophobicContact CZ-CG 4.26Å; F52-E54 VanDerWaalsContact CZ-OE2 3.32Å; F52-E54 WeakPolarHBondContact CZ-OE2 3.43Å
53V28.4Very low28.8Very low141 Ų141149.1 Ų149.186%0.85579%0.785SS**  trans-141.2134.2162.11790000107.6
54E29.5Very low29.2Very low139 Ų139155.1 Ų155.165%0.6579%0.791SS**  trans-125137.2-172.4171.8171.7-147.900110.5F52F52-E54 HydrophobicContact CD1-CB 4.32Å; F52-E54 HydrophobicContact CE1-CB 3.48Å; F52-E54 VanDerWaalsContact CE1-CB 3.48Å; F52-E54 HydrophobicContact CE1-CG 4.36Å; F52-E54 VanDerWaalsContact CE1-OE2 3.26Å; F52-E54 WeakPolarHBondContact CE1-OE2 3.3Å; F52-E54 HydrophobicContact CZ-CB 3.69Å; F52-E54 HydrophobicContact CZ-CG 4.26Å; F52-E54 VanDerWaalsContact CZ-OE2 3.32Å; F52-E54 WeakPolarHBondContact CZ-OE2 3.43Å
55S28.7Very low29.6Very low110 Ų110155.3 Ų155.377%0.76979%0.792SS**  trans-168.4106.5164-650000104.4
56E30Very low30Very low183 Ų183155.5 Ų155.586%0.85579%0.79SS**  52.2121.593-57.9-163.3136.800111.8
57E29Very low30.5Very low175 Ų175161 Ų16182%0.81880%0.803SS**  -154.9167.450.4-133.1-178.1139.200114
58L28.6Very low30.9Very low146 Ų146158.6 Ų158.676%0.76480%0.8SS**  trans0.2153.4152.9-96.671000121.3
59D27.7Very low31.6Very low130 Ų130155.9 Ų155.970%0.69580%0.8SS**  cis-163.5163.71.3-153-17.2000111.2
60S31.9Very low32.2Very low93 Ų93155.3 Ų155.365%0.6580%0.8SS**  trans32.9116.8155.7710000122.4
61L31.7Very low32.5Very low174 Ų174158.5 Ų158.591%0.91181%0.809SS**  trans-137.1145148.8-82.3179.7000111.6
62P33.6Very low33.1Very low115 Ų115157.9 Ų157.975%0.74781%0.811SS**  trans-88.5154.7-161.433.7-36.5000115.3R64P62-R64 PolarHBondContact O-N 3.33Å
63R30.9Very low33.8Very low241 Ų241158 Ų15891%0.90982%0.819SS**  trans-50.8120.3168.7-87.6177.6164.6162.7-5.2111.5Q65R63-Q65 PolarHBondContact O-N 3.01Å
64R33.4Very low34.2Very low231 Ų231156 Ų15687%0.87282%0.816SS**  trans-69.9108.8156.8-85.4-176.2171.5177.1-1.9109.1P62P62-R64 PolarHBondContact O-N 3.33Å
65Q34.7Very low34.8Very low183 Ų183155.4 Ų155.486%0.85582%0.822SS**  trans-72.2126.7165.1-79.4174.1-50.200109.5R63R63-Q65 PolarHBondContact O-N 3.01Å
66F35.7Very low35.1Very low195 Ų195159.2 Ų159.286%0.85583%0.83SS**  trans-77.6129.4163.6-63-87.7000108.1
67K37.2Very low35.4Very low213 Ų213153.9 Ų153.993%0.92682%0.824SS**  trans-92.3109.3178.1-157.6173.4-174.1-178.50108.8
68T38.5Very low35.6Very low132 Ų132152.3 Ų152.381%0.8183%0.827SS**  trans-63.6150.5177.8-25.90000110.8
69A42.1Very low36.2Very low100 Ų100154.3 Ų154.383%0.82683%0.832SS**  trans-73.8134.917500000111.2
70E40.3Very low36.7Very low181 Ų181153.7 Ų153.785%0.84683%0.834SS**  trans-141.4102.7173.2-175.8-178.8176.100108.6
71I40.9Very low37.2Very low176 Ų176155.7 Ų155.790%0.90384%0.844SS**  trans-156.3100.1158.516.2172.4000108.7
72A38.8Very low37.5Very low98 Ų98154.9 Ų154.981%0.8184%0.839SS**  trans-15481.7165.400000108.7
73D37.8Very low37.4Very low163 Ų163155 Ų15587%0.87283%0.834SS**  trans-170144.3137.3-132.5-23.4000111.9
74A37.8Very low38.1Very low97 Ų97149.8 Ų149.880%0.80283%0.831SS**  trans15269.1160.400000111.9
75V41.8Very low38.7Very low128 Ų128142.5 Ų142.578%0.77682%0.815SS**  trans-128.3141.9162.2153.20000108.4
76M35.2Very low39.1Very low189 Ų189141.1 Ų141.193%0.93181%0.814SS**  trans73124.3-166.4-53.2-178.5172.800114
77G35.5Very low39.8Very low71 Ų71139.9 Ų139.973%0.73281%0.814SS**  cis158138-700000111.3
78T33Very low40.3Very low142 Ų142138.9 Ų138.987%0.87181%0.813SS**  trans-148.7120.9164.644.90000110.4
79E41.7Very low40.7Very low188 Ų188137.7 Ų137.788%0.87981%0.81SS**  trans-72.4130.4177.1-35.7-79.3126.400111.1
80T38Very low40.6Very low118 Ų118140.9 Ų140.972%0.72481%0.812SS**  trans-141.4134.4153.350.20000109.9
81P42.1Very low40.5Very low135 Ų135139.6 Ų139.688%0.87781%0.81SS**  trans-81.5133.1-177.430.4-30.4000110.9
82I37.7Very low40.2Very low156 Ų156137 Ų13780%0.881%0.805SS**  trans-118.3132.2174.3-61.2179.3000109.2
83D32.7Very low40.2Very low119 Ų119143.9 Ų143.964%0.63681%0.809SS**  trans-70.6137-175-174.953.6000112S85D83-S85 VanDerWaalsContact C-N 3.32Å; D83-S85 PolarHBondContact O-N 2.73Å; D83-S85 PolarHBondContact OD2-OG 3.32Å
84P45.1Very low40Very low131 Ų131143.3 Ų143.385%0.85181%0.806SS**THydrogen-bonded Turntrans-82.571.8-176.734-36.4000112.1
85S47Very low40Very low77 Ų77145.6 Ų145.654%0.53881%0.81SS.*THydrogen-bonded Turntrans-134.2-8.5-178.9490000116.2D83D83-S85 VanDerWaalsContact C-N 3.32Å; D83-S85 PolarHBondContact O-N 2.73Å; D83-S85 PolarHBondContact OD2-OG 3.32Å
86D41.8Very low39.6Very low155 Ų155148.2 Ų148.283%0.82981%0.811SS**  trans-109.744.6-175-85.8-36000115.3
87I50.1Low39.6Very low168 Ų168146.6 Ų146.686%0.86281%0.806SS**  trans-122.943.4170.1-36.5-178.9000112.2
88E48.1Very low39.3Very low193 Ų193153.4 Ų153.490%0.90282%0.816SS**  trans-137.666.4170.9-76.5-156.711400112.7
89S46.7Very low39.3Very low107 Ų107155.2 Ų155.275%0.74881%0.814SS**SBendtrans-147.71175.864.30000118
90L40.6Very low38.9Very low166 Ų166151.9 Ų151.987%0.86981%0.812SS**  trans-127.743.4-175.3-66.8176.7000114.9
91I38.2Very low38.7Very low154 Ų154149.6 Ų149.679%0.7981%0.812SS**  trans-119.5120.3167.9-56.8178.3000109.6R93I91-R93 PolarHBondContact O-N 2.89Å
92P34.5Very low38.2Very low123 Ų123153.3 Ų153.380%0.79982%0.815SS**  trans-73.1124.7179.428.3-33000112.2N94P92-N94 PolarHBondContact O-N 3.13Å
93R39.2Very low38.3Very low241 Ų241150.4 Ų150.491%0.90981%0.809SS**  trans-82.796.8177.6-71.2-179.6173.9164.9-1.1112.7I91I91-R93 PolarHBondContact O-N 2.89Å
94N32.9Very low38.8Very low152 Ų152150.1 Ų150.181%0.81381%0.813SS**  trans170.9108.8137.4-107.4-79.2000112.2P92P92-N94 PolarHBondContact O-N 3.13Å
95V37.2Very low38.5Very low145 Ų145150 Ų15088%0.87981%0.812SS**  -146.7144.4129.5-173.30000106.8
96K34.5Very low38.3Very low183 Ų183151.3 Ų151.380%0.79682%0.82SS**  trans-67.3150-179.8-96.2160.2171.5165.60113.4
97D35.2Very low38.2Very low155 Ų155151.9 Ų151.983%0.82982%0.823SS**  trans-57.6135.7175.2-48.4-87.2000112.7
98F28.6Very low37.8Very low213 Ų213147.9 Ų147.993%0.93482%0.823SS**  trans-134.2129.4151.1-100.2-83.5000109.5
99Q33.9Very low37.5Very low180 Ų180146.9 Ų146.984%0.84182%0.824SS**  trans-98164.6-171.9-162.917730.400110.7
100S33.9Very low37.1Very low118 Ų118145.4 Ų145.483%0.82583%0.825SS**  trans83.6140.516777.40000118
101G33.1Very low37.1Very low71 Ų71145 Ų14573%0.73283%0.825SS**PPolyproline II helixtrans-89.1167.3-177.600000113.1
102F30.6Very low37Very low213 Ų213148.9 Ų148.993%0.93483%0.829SS**PPolyproline II helixtrans-97.3117.1-173-115.1-97.5000113
103S40.2Very low37Very low95 Ų95148.5 Ų148.566%0.66483%0.828SS**PPolyproline II helixtrans-82.1156.9159.4-530000110.1
104P43.7Very low36.8Very low113 Ų113142.7 Ų142.773%0.73482%0.819SS**PPolyproline II helixtrans-69.3159.3171.630.5-35000112
105P38.7Very low36.8Very low127 Ų127141.1 Ų141.183%0.82582%0.82SS**PPolyproline II helixtrans-79.2142.6-173.231.9-35.1000113
106C42.6Very low36.9Very low105 Ų105140 Ų14071%0.70982%0.816SS**  trans-115.5122.4164.3-63.60000108.6
107D40.9Very low36.5Very low168 Ų168135.5 Ų135.590%0.89881%0.813SS**  trans-75.5140.2173-79.6-41.9000111.2N109D107-N109 PolarHBondContact O-N 3.22Å
108G40.2Very low36.2Very low83 Ų83137.4 Ų137.486%0.85682%0.817SS**  trans-89.2111.4-167.500000114.5
109N41.3Very low36.2Very low173 Ų173132.3 Ų132.393%0.92581%0.814SS**SBendtrans-160.8119.1132.1-154.424.9000111.7D107D107-N109 PolarHBondContact O-N 3.22Å
110G38.6Very low36.1Very low75 Ų75132.8 Ų132.877%0.77382%0.816SS**SBendtrans106.6139.5173.300000115.5
111D40.2Very low35.8Very low159 Ų159134.4 Ų134.485%0.8582%0.815SS**SBendtrans-71.6149.7-174.6-68.8-65.5000114.6
112R37.2Very low35.6Very low234 Ų234138.7 Ų138.788%0.88382%0.821SS**  trans88.7100.6167.4-54.5175.1174.5-174.9-3.3117.1V114R112-V114 HydrophobicContact CB-CG2 4.47Å
113C33.7Very low35.4Very low116 Ų116136.3 Ų136.378%0.78481%0.812SS**  trans-80.2128.5153.2-67.50000109.9
114V34.8Very low34.8Very low119 Ų119138.2 Ų138.272%0.72181%0.814SS**  trans-134124.6176.1174.50000108.8R112R112-V114 HydrophobicContact CB-CG2 4.47Å
115S34.3Very low34Very low118 Ų118139.3 Ų139.383%0.82581%0.813SS**  trans-80.5145.8164.8-50.90000109.8
116P37.9Very low33.3Very low122 Ų122141.5 Ų141.579%0.79281%0.812SS**  -144.2172.4114.536.7-22.1000114.4
117A27Very low32.5Very low88 Ų88145.1 Ų145.173%0.72782%0.819SS**  trans-87.8175.4170.200000112.1
118Q28.8Very low32.5Very low196 Ų196142 Ų14292%0.91681%0.808SS**  trans77.2114.6168.8-55.2-175.1-50.800118.1
119A29.1Very low31.7Very low105 Ų105146.7 Ų146.787%0.86881%0.807SS**  trans-160.1137.7134.700000109
120E31.7Very low30.9Very low190 Ų190142.7 Ų142.789%0.88880%0.798SS**  trans-99.1168.5174.4-62.9173.9136.500110.3
121D27.1Very low30.2Very low152 Ų152148 Ų14881%0.81380%0.803SS**  trans20.3130.6153.7-78-1.6000121.1
122L28.2Very low29.5Very low162 Ų162146.1 Ų146.185%0.84880%0.802SS**  -178.3159.487.2-148.370.9000112.2
123E27.3Very low28.9Very low163 Ų163142.6 Ų142.676%0.76280%0.798SS**  trans-71.7168.6168.9-64174.888.600113.4
124L26.8Very low28.6Very low135 Ų135146.7 Ų146.771%0.70781%0.806SS**  139.7114.6106.7-148.6124.4000115.8
125L27.4Very low28.2Very low135 Ų135148.4 Ų148.471%0.70781%0.806SS**  trans59.9159.8158.7-57.3-178.5000118.9
126E25.2Very low27.7Very low173 Ų173149.5 Ų149.581%0.80881%0.807SS**  cis-155.4168.11.7-130.5155.8166.500110.4
127E25.4Very low26.9Very low181 Ų181148.7 Ų148.785%0.84680%0.8SS**  trans-87-166174.2-59.7-149.5133.800111.8
128P40.4Very low26.9Very low102 Ų102152.7 Ų152.766%0.66281%0.808SS**  cis-145.9-164.82.537.8-12.3000117.9
129E22.8Very low26.7Very low182 Ų182150.1 Ų150.185%0.8580%0.796SS**  trans110.6122.4143.8-83.7175.9178.500123.7
130A25.8Very low26.7Very low89 Ų89152.6 Ų152.674%0.73679%0.792SS**  trans85.7104.5135.200000123.9
131E23.6Very low26.7Very low187 Ų187149.7 Ų149.787%0.87479%0.787SS**  trans38132.2132.4-55.2-166.4160.700121.7
132S24.6Very low27.3Very low119 Ų119147.8 Ų147.883%0.83278%0.782SS**  -176.3171.576.947.60000114
133M24.8Very low27.1Very low160 Ų160143.9 Ų143.979%0.78877%0.774SS**  trans-79.6152.5-167.8-61.4156.853.100115.5
134Q27.5Very low27.1Very low203 Ų203144.5 Ų144.595%0.94978%0.777SS**  trans-150.2141.4141.4-113.1154.128.300112.7
135Q26.3Very low27.5Very low155 Ų155145.8 Ų145.872%0.72478%0.784SS**  trans-131.4127.8-166.2179.5-177.615.200108.2
136V23Very low27.8Very low140 Ų140145.1 Ų145.185%0.84879%0.787SS**  trans-136.4112.3171.1-178.50000110.1
137T22.8Very low28.3Very low105 Ų105141.5 Ų141.564%0.64479%0.787SS**  trans-90.3143.8171-41.90000109.5
138L26.5Very low28.4Very low173 Ų173142.3 Ų142.391%0.90679%0.791SS**  trans-148.9135.2157.8-106.3170.8000109.8
139E23.8Very low28.3Very low141 Ų141146.4 Ų146.466%0.65980%0.801SS**  trans-132.8130.6-164.3-177.5-179.9146.800112.2
140M29.6Very low28.8Very low158 Ų158144 Ų14478%0.77880%0.799SS**  trans53.8158.2159.7-62-176.1-145.600119.3
141V31.4Very low29.6Very low129 Ų129147.4 Ų147.478%0.78281%0.805SS**  168.5151.682.3155.60000106.7
142P39.1Very low30Very low111 Ų111145 Ų14572%0.72180%0.803SS**  cis-139.7-159.5-3341.6-20000113.4
143A24.4Very low30.4Very low81 Ų81145.3 Ų145.367%0.66980%0.8SS**  trans69.6144.8151.300000119.2
144E27.9Very low31.2Very low176 Ų176146.6 Ų146.682%0.82280%0.804SS**  cis-151.1158.2-9.3-156.2100.1156.300107.6
145L35.1Very low31.7Very low162 Ų162143.3 Ų143.385%0.84880%0.798SS**  trans-76.3153.8166.8-80.3163.7000110.9
146P33.6Very low32.7Very low120 Ų120139.8 Ų139.878%0.77980%0.796SS**  -121.8141.8127.234.7-30.5000111.4
147A34.9Very low34Very low98 Ų98140.6 Ų140.681%0.8179%0.788SS**  trans-83.7132.8160.800000109
148E29.3Very low35.2Very low198 Ų198142.2 Ų142.293%0.92580%0.798SS**  trans-160.2157.9131.1-119-179.6-17000111.5
149E37.3Very low37Very low188 Ų188138.8 Ų138.888%0.87977%0.773SS**  trans-77.9134.7-169.2-52175.1143.900112
150T33.1Very low39.2Very low130 Ų130139.7 Ų139.780%0.79878%0.775SS**  trans-153124.7144.8-32.20000112.1T152T150-T152 PolarHBondContact O-N 3.24Å
151N41.9Very low41.6Very low161 Ų161132.4 Ų132.486%0.86174%0.74SS**  trans-33.8111.1175.3-64.3-39.7000115
152T32.1Very low44Very low136 Ų136132.3 Ų132.383%0.83474%0.735SS**  trans-99.5107156.642.20000109T150 E154T150-T152 PolarHBondContact O-N 3.24Å; T152-E154 PolarHBondContact O-N 3.47Å
153T34.7Very low46.2Very low127 Ų127127.5 Ų127.578%0.77970%0.704SS**  trans-34.9125.2173.9-25.40000111.9T155T153-T155 PolarHBondContact O-N 2.89Å
154E41Very low49Very low186 Ų186127.5 Ų127.587%0.86969%0.692SS**  trans-53.9110.6166.4-69.8-176134.300108.2T152 A156T152-E154 PolarHBondContact O-N 3.47Å; E154-A156 PolarHBondContact O-N 2.85Å
155T38.9Very low51.5Low134 Ų134126.3 Ų126.382%0.82269%0.685SS**  trans-72.482.7168.241.90000107T153 K157T153-T155 PolarHBondContact O-N 2.89Å; T155-K157 PolarHBondContact O-N 2.86Å
156A45.8Very low53.6Low82 Ų82122.4 Ų122.468%0.67866%0.658SS**  trans-48.6106.5-179.300000109.1E154 T158E154-A156 PolarHBondContact O-N 2.85Å; A156-T158 PolarHBondContact O-N 2.9Å
157K49.9Very low55.5Low157 Ų157123.5 Ų123.568%0.68366%0.658SS**  trans-58.1110.4173.2-84.6-179.2177.6172.30106.6T155 Y159T155-K157 PolarHBondContact O-N 2.86Å; K157-Y159 HydrophobicContact CB-CD1 4.41Å; K157-Y159 HydrophobicContact CB-CE1 3.89Å; K157-Y159 HydrophobicContact CB-CE2 4.06Å; K157-Y159 HydrophobicContact CD-CE1 4.1Å; K157-Y159 WeakPolarHBondContact O-CD2 3.37Å; K157-Y159 WeakPolarHBondContact O-CE2 3.42Å; K157-Y159 PolarHBondContact O-N 2.88Å
158T48.8Very low57.2Low139 Ų139121.2 Ų121.285%0.85363%0.634SS**  trans-7479.6175.240.10000108.5A156 K160A156-T158 PolarHBondContact O-N 2.9Å; T158-K160 PolarHBondContact O-N 2.91Å
159Y64.2Low58.5Low100 Ų100118.5 Ų118.539%0.39263%0.631SS.*  trans-54.1139.7173.1-57.2-69.9000109.5K157 V161 G282K157-Y159 HydrophobicContact CB-CD1 4.41Å; K157-Y159 HydrophobicContact CB-CE1 3.89Å; K157-Y159 HydrophobicContact CB-CE2 4.06Å; K157-Y159 HydrophobicContact CD-CE1 4.1Å; K157-Y159 WeakPolarHBondContact O-CD2 3.37Å; K157-Y159 WeakPolarHBondContact O-CE2 3.42Å; K157-Y159 PolarHBondContact O-N 2.88Å; Y159-V161 PolarHBondContact O-N 2.94Å; Y159-V161 VanDerWaalsContact O-N 3.14Å; Y159-G282 VanDerWaalsContact CE1-CA 3.41Å; Y159-G282 VanDerWaalsContact CG-CA 3.47Å
160K69.7Low59.4Low161 Ų161113.4 Ų113.470%0.763%0.629SS**SBendtrans-70.9-13.9-167.1-166.5162.7177.6178.60113.4T158 Q280T158-K160 PolarHBondContact O-N 2.91Å; K160-Q280 PolarHBondContact N-O 3.49Å
161V80.6Confident60.8Low5 Ų5110.4 Ų110.43%0.0361%0.608CS.*SBendtrans-137.6129.9178.7-167.20000109.3Y159 C163 L253 Q255 M260 Q280Y159-V161 PolarHBondContact O-N 2.94Å; Y159-V161 VanDerWaalsContact O-N 3.14Å; V161-C163 PolarHBondContact O-N 3.38Å; V161-L253 HydrophobicContact CG2-CD2 4.09Å; V161-Q255 HydrophobicContact CG1-CB 3.81Å; V161-Q255 HydrophobicContact CG1-CG 3.95Å; V161-M260 HydrophobicContact CG1-CB 4.4Å; V161-M260 HydrophobicContact CG1-CG 3.86Å; V161-M260 HydrophobicContact CG1-SD 4.4Å; V161-M260 HydrophobicContact CG2-CB 3.63Å; V161-M260 HydrophobicContact CG2-CG 3.98Å; V161-Q280 PolarHBondContact N-O 3.26Å; V161-Q280 VanDerWaalsContact N-O 3.1Å
162N82.2Confident61.6Low126 Ų126111.9 Ų111.967%0.67461%0.609SS**  trans-9197.7174-176.131.6000110.1Q255N162-Q255 PolarHBondContact O-NE2 2.95Å
163C84.1Confident63.3Low11 Ų11108.8 Ų108.87%0.07459%0.593CS.*PPolyproline II helixtrans-98.3129.6-173.8-62.30000111.8V161 C196 T281 F283V161-C163 PolarHBondContact O-N 3.38Å; C163-C196 HydrophobicContact CB-CB 3.61Å; C163-C196 WeakPolarHBondContact CB-SG 3.3Å; C163-C196 WeakPolarHBondContact SG-CB 3.37Å; C163-C196 CovalentContact SG-SG 2.02Å; C163-C196 PolarHBondContact SG-SG 3.28Å; C163-T281 VanDerWaalsContact SG-CG2 3.55Å; C163-F283 HydrophobicContact CB-CD2 4.35Å; C163-F283 HydrophobicContact CB-CE1 4.23Å; C163-F283 HydrophobicContact CB-CE2 3.36Å; C163-F283 HydrophobicContact CB-CZ 3.3Å; C163-F283 VanDerWaalsContact O-CZ 3.26Å; C163-F283 WeakPolarHBondContact O-CZ 3.35Å
164D83.9Confident65.5Low80 Ų80105.4 Ų105.443%0.42857%0.568SS.*BIsolated β-bridgetrans-74.1141.7165.7-75-31.4000110.6T194D164-T194 PolarHBondContact N-O 3.29Å; D164-T194 VanDerWaalsContact OD2-CB 3.24Å; D164-T194 WeakPolarHBondContact OD2-CB 3.02Å; D164-T194 PolarHBondContact OD2-OG1 3.48Å
165K81.1Confident67.7Low152 Ų152100.9 Ų100.966%0.66155%0.553SS**PPolyproline II helixtrans-77.9126.2177.1-68.5-179.7-179.1178.90109.5F283K165-F283 HydrophobicContact CD-CE1 4.21Å; K165-F283 HydrophobicContact CG-CD1 4.12Å; K165-F283 HydrophobicContact CG-CE1 3.35Å; K165-F283 HydrophobicContact CG-CZ 3.82Å
166R79Confident70.2Confident79 Ų7994.7 Ų94.730%0.29852%0.515SS..PPolyproline II helixtrans-58.3140.2170.7-171-169178.6166.51.3110.5V168 S225 H227R166-V168 PolarHBondContact O-N 2.68Å; R166-S225 VanDerWaalsContact CB-O 3.26Å; R166-S225 WeakPolarHBondContact CB-O 3.31Å; R166-S225 PolarHBondContact N-O 3.42Å; R166-H227 VanDerWaalsContact CD-NE2 3.32Å; R166-H227 WeakPolarHBondContact CD-NE2 3.18Å; R166-H227 PolarHBondContact NE-NE2 2.83Å; R166-H227 PolarHBondContact NH1-CE1 3.47Å; R166-H227 VanDerWaalsContact NH1-CE1 3.33Å; R166-H227 PolarHBondContact NH1-ND1 2.91Å
167N73Confident72.5Confident143 Ų14394.7 Ų94.777%0.76550%0.501SS*.  trans-68.5111.4167.5-72.7-38.4000110.4
168V70.1Confident74.6Confident50 Ų5089.7 Ų89.730%0.30348%0.483SS..  trans-86.6-9.5-178177.20000112.7R166 G170 L171 F174 P224R166-V168 PolarHBondContact O-N 2.68Å; V168-G170 PolarHBondContact O-N 3.25Å; V168-L171 PolarHBondContact O-N 3.29Å; V168-F174 HydrophobicContact CG1-CE1 3.68Å; V168-F174 HydrophobicContact CG1-CZ 3.5Å; V168-P224 HydrophobicContact CG1-CB 4.28Å; V168-P224 HydrophobicContact CG2-CB 4.22Å; V168-P224 WeakPolarHBondContact CG2-O 3.46Å
169T56.9Low76.6Confident141 Ų14183.4 Ų83.487%0.86544%0.444SS*.THydrogen-bonded Turntrans-60101.7-170.6-30.40000112.4
170G55.6Low77.9Confident81 Ų8183.4 Ų83.484%0.83545%0.451SS*.THydrogen-bonded Turntrans103.76.3175.900000116.6V168V168-G170 PolarHBondContact O-N 3.25Å
171L64.1Low78.6Confident68 Ų6878.8 Ų78.836%0.35644%0.444SS..  trans-103.2107.4173.6-169.370.4000110.9V168 F174V168-L171 PolarHBondContact O-N 3.29Å; L171-F174 HydrophobicContact CD2-CD1 4.34Å; L171-F174 HydrophobicContact CD2-CE1 4.32Å; L171-F174 VanDerWaalsContact O-CZ 3.23Å; L171-F174 WeakPolarHBondContact O-CZ 3.45Å
172E58.5Low78.9Confident191 Ų19184 Ų8489%0.89348%0.48SS*.  trans-87.2-20.7179.2-60.6-162.8156.700113.7
173S67.9Low79.3Confident72 Ų7280.9 Ų80.950%0.50346%0.461SS..  trans-107.298.2-179.561.70000112.1T175S173-T175 PolarHBondContact O-N 2.79Å
174F80Confident79.4Confident56 Ų5683.4 Ų83.425%0.24647%0.474CS..  trans-82.892.8170.7-56.4-70.8000110.1V168 L171 P220 P224V168-F174 HydrophobicContact CG1-CE1 3.68Å; V168-F174 HydrophobicContact CG1-CZ 3.5Å; L171-F174 HydrophobicContact CD2-CD1 4.34Å; L171-F174 HydrophobicContact CD2-CE1 4.32Å; L171-F174 VanDerWaalsContact O-CZ 3.23Å; L171-F174 WeakPolarHBondContact O-CZ 3.45Å; F174-P220 HydrophobicContact CB-CB 3.75Å; F174-P220 WeakPolarHBondContact O-CB 3.31Å; F174-P224 HydrophobicContact CD1-CB 3.57Å; F174-P224 HydrophobicContact CD2-CB 4.37Å; F174-P224 HydrophobicContact CE1-CB 3.27Å; F174-P224 HydrophobicContact CE2-CB 4.12Å; F174-P224 HydrophobicContact CG-CB 4.13Å; F174-P224 HydrophobicContact CZ-CB 3.59Å
175T87.1Confident79.7Confident90 Ų9079.6 Ų79.655%0.55245%0.454SS*.  trans-123.7151.4179.556.30000111.7S173S173-T175 PolarHBondContact O-N 2.79Å
176V92.6Very high80.1Confident4 Ų474.1 Ų74.12%0.02443%0.431CS..  trans-64.9135171.5176.50000109.8F216 P220 F228 A230 P299 L300V176-F216 HydrophobicContact CG1-CD1 3.98Å; V176-F216 HydrophobicContact CG1-CE1 3.74Å; V176-F216 HydrophobicContact CG2-CD1 3.78Å; V176-F216 HydrophobicContact CG2-CE1 4.02Å; V176-F216 WeakPolarHBondContact CG2-O 3.26Å; V176-P220 HydrophobicContact CG2-CG 3.71Å; V176-F228 HydrophobicContact CG2-CB 4.12Å; V176-A230 HydrophobicContact CG1-CB 3.8Å; V176-P299 HydrophobicContact CB-CG 4.29Å; V176-P299 VanDerWaalsContact O-CG 3.26Å; V176-P299 WeakPolarHBondContact O-CG 3.45Å; V176-L300 HydrophobicContact CG1-CD1 4.33Å
177Q92.4Very high80.5Confident82 Ų8276.7 Ų76.738%0.38345%0.45SS..EExtended strand (participates in β ladder)trans-91111.7174.7-171.3163.228.400110.1F188 F228 L229 A230Q177-F188 VanDerWaalsContact NE2-CE1 3.34Å; Q177-F228 PolarHBondContact N-O 2.94Å; Q177-L229 CarbonylContact O-C 3.56Å; Q177-L229 VanDerWaalsContact O-CA 3.3Å; Q177-L229 WeakPolarHBondContact O-CA 3.32Å; Q177-A230 PolarHBondContact O-N 3.03Å
178V93.9Very high81.2Confident52 Ų5273 Ų7332%0.31543%0.428SS..EExtended strand (participates in β ladder)trans-86.7128.3174.9-174.20000109.3F202 A230 P299 L300V178-F202 HydrophobicContact CG1-CE1 4.32Å; V178-F202 HydrophobicContact CG1-CZ 4.19Å; V178-A230 CarbonylContact C-O 3.56Å; V178-A230 WeakPolarHBondContact CA-O 3.47Å; V178-A230 HydrophobicContact CG2-CB 4.48Å; V178-P299 HydrophobicContact CG2-CB 3.94Å; V178-P299 HydrophobicContact CG2-CG 3.99Å; V178-L300 HydrophobicContact CG2-CD2 3.88Å; V178-L300 HydrophobicContact CG2-CG 4.42Å
179L92.6Very high82Confident7 Ų770.8 Ų70.84%0.03741%0.414CS..EExtended strand (participates in β ladder)trans-88.2132.6179.5-81.370.2000111L185 F188 L229 A230 L231L179-L185 HydrophobicContact CD2-CB 4.04Å; L179-L185 HydrophobicContact CD2-CD1 3.92Å; L179-F188 HydrophobicContact CD2-CD2 3.96Å; L179-F188 HydrophobicContact CD2-CE2 4.27Å; L179-F188 HydrophobicContact CG-CD2 4.26Å; L179-F188 HydrophobicContact CG-CE2 4.21Å; L179-L229 HydrophobicContact CD1-CB 4.01Å; L179-L229 HydrophobicContact CD1-CD2 4.1Å; L179-A230 PolarHBondContact N-O 2.99Å; L179-L231 HydrophobicContact CB-CB 4.24Å
180N90.5Very high83.1Confident100 Ų10067.8 Ų67.854%0.53539%0.393SS..PPolyproline II helixtrans-75.8164.9173.2-67.9-32.7000111.7S182 Q183 H236N180-S182 PolarHBondContact O-N 2.95Å; N180-Q183 HydrophobicContact CB-CG 4.43Å; N180-Q183 PolarHBondContact O-N 2.02Å; N180-H236 PolarHBondContact O-CE1 2.97Å; N180-H236 PolarHBondContact O-NE2 3.05Å
181A85.3Confident84.2Confident65 Ų6567.6 Ų67.654%0.53738%0.383SS..THydrogen-bonded Turntrans-55.7-31.2176.500000114.4H236A181-H236 PolarHBondContact O-CE1 3.32Å
182S86.7Confident85Confident113 Ų11371.7 Ų71.779%0.7941%0.406SS*.THydrogen-bonded Turntrans-87.6-0-176.656.60000114.7N180N180-S182 PolarHBondContact O-N 2.95Å
183Q89.6Confident86.1Confident61 Ų6163.7 Ų63.729%0.28537%0.371SS..  trans-107.6127.2-174-77.9172.6-25.600110.6N180 F188 H236N180-Q183 HydrophobicContact CB-CG 4.43Å; N180-Q183 PolarHBondContact O-N 2.02Å; Q183-F188 HydrophobicContact CB-CE2 4.07Å; Q183-F188 HydrophobicContact CG-CE2 4.27Å; Q183-H236 PolarHBondContact O-CE1 2.9Å
184D86.5Confident87Confident64 Ų6463.3 Ų63.334%0.34237%0.366SS..  trans-81.8135.5170.4-166-16.8000109.9M186 D187 F188D184-M186 PolarHBondContact O-N 3.36Å; D184-M186 WeakPolarHBondContact OD1-CG 3.35Å; D184-M186 PolarHBondContact OD1-N 3.14Å; D184-D187 PolarHBondContact O-N 3.43Å; D184-F188 WeakPolarHBondContact O-CD2 3.5Å
185L90.3Very high87.4Confident0 Ų063.3 Ų63.30%037%0.366CS..Hα-helixtrans-57.8-32.6169.6-178.668.8000111.9L179 D187 F188 L189 V199 F201 L229 L231 L239 F243 F254L179-L185 HydrophobicContact CD2-CB 4.04Å; L179-L185 HydrophobicContact CD2-CD1 3.92Å; L185-D187 PolarHBondContact O-N 2.84Å; L185-F188 PolarHBondContact O-N 2.82Å; L185-L189 HydrophobicContact CD1-CD1 4.19Å; L185-L189 HydrophobicContact CD1-CG 4.13Å; L185-L189 HydrophobicContact CD2-CD1 3.83Å; L185-L189 HydrophobicContact CG-CD1 3.65Å; L185-L189 HydrophobicContact CG-CG 3.96Å; L185-L189 WeakPolarHBondContact O-CB 3.44Å; L185-L189 WeakPolarHBondContact O-CG 3.49Å; L185-L189 PolarHBondContact O-N 3.12Å; L185-V199 HydrophobicContact CD1-CG1 3.94Å; L185-V199 HydrophobicContact CD1-CG2 3.98Å; L185-V199 HydrophobicContact CD2-CG1 3.96Å; L185-V199 HydrophobicContact CD2-CG2 4.38Å; L185-F201 HydrophobicContact CD2-CZ 4.46Å; L185-L229 HydrophobicContact CD1-CB 4.49Å; L185-L229 HydrophobicContact CD1-CD2 4.05Å; L185-L231 HydrophobicContact CB-CD2 4.47Å; L185-L231 HydrophobicContact CD1-CD2 4.14Å; L185-L231 HydrophobicContact CD2-CD2 3.8Å; L185-L231 HydrophobicContact CG-CD2 4.35Å; L185-L239 HydrophobicContact CB-CD1 3.67Å; L185-F243 HydrophobicContact CD2-CE2 3.97Å; L185-F254 HydrophobicContact CD2-CZ 4.42Å
186M89.1Confident87.6Confident37 Ų3759 Ų5918%0.18234%0.34CS..Hα-helixtrans-60.4-31.3178.3-66.5-74.8114.100113.2D184 F188 L189 R242 F243D184-M186 PolarHBondContact O-N 3.36Å; D184-M186 WeakPolarHBondContact OD1-CG 3.35Å; D184-M186 PolarHBondContact OD1-N 3.14Å; M186-F188 VanDerWaalsContact C-N 3.33Å; M186-L189 CarbonylContact O-C 3.5Å; M186-R242 PolarHBondContact SD-NH1 3.27Å; M186-R242 PolarHBondContact SD-NH2 2.87Å; M186-R242 VanDerWaalsContact SD-NH2 3.36Å; M186-F243 HydrophobicContact CE-CE2 4.1Å; M186-F243 HydrophobicContact CE-CZ 3.52Å
187D87.8Confident87.7Confident133 Ų13359.2 Ų59.271%0.71134%0.341SS*.Hα-helixtrans-72.5-30.1-179.6-64.1-29.2000111.7D184 L185D184-D187 PolarHBondContact O-N 3.43Å; L185-D187 PolarHBondContact O-N 2.84Å
188F86.8Confident87.8Confident67 Ų6755.4 Ų55.429%0.29432%0.324SS..Hα-helixtrans-84.6-34173.9-64.5-87.5000112.4Q177 L179 Q183 D184 L185 M186 N190 L229Q177-F188 VanDerWaalsContact NE2-CE1 3.34Å; L179-F188 HydrophobicContact CD2-CD2 3.96Å; L179-F188 HydrophobicContact CD2-CE2 4.27Å; L179-F188 HydrophobicContact CG-CD2 4.26Å; L179-F188 HydrophobicContact CG-CE2 4.21Å; Q183-F188 HydrophobicContact CB-CE2 4.07Å; Q183-F188 HydrophobicContact CG-CE2 4.27Å; D184-F188 WeakPolarHBondContact O-CD2 3.5Å; L185-F188 PolarHBondContact O-N 2.82Å; M186-F188 VanDerWaalsContact C-N 3.33Å; F188-N190 VanDerWaalsContact C-N 3.34Å; F188-N190 PolarHBondContact O-N 3.34Å; F188-N190 VanDerWaalsContact O-N 3.1Å; F188-L229 HydrophobicContact CB-CD2 3.6Å; F188-L229 HydrophobicContact CG-CD2 4.19Å
189L86.9Confident87.9Confident2 Ų252.9 Ų52.91%0.0131%0.309CS..SBendtrans-83.176.8175.1-66-175.8000110.6L185 M186 A191 V199 F254L185-L189 HydrophobicContact CD1-CD1 4.19Å; L185-L189 HydrophobicContact CD1-CG 4.13Å; L185-L189 HydrophobicContact CD2-CD1 3.83Å; L185-L189 HydrophobicContact CG-CD1 3.65Å; L185-L189 HydrophobicContact CG-CG 3.96Å; L185-L189 WeakPolarHBondContact O-CB 3.44Å; L185-L189 WeakPolarHBondContact O-CG 3.49Å; L185-L189 PolarHBondContact O-N 3.12Å; M186-L189 CarbonylContact O-C 3.5Å; L189-A191 PolarHBondContact O-N 3.25Å; L189-V199 HydrophobicContact CD2-CG2 4.34Å; L189-F254 HydrophobicContact CD1-CB 4.31Å; L189-F254 HydrophobicContact CD1-CD1 3.5Å; L189-F254 VanDerWaalsContact CD1-CD1 3.5Å; L189-F254 HydrophobicContact CD1-CD2 4.23Å; L189-F254 HydrophobicContact CD1-CE1 3.72Å; L189-F254 HydrophobicContact CD1-CE2 4.41Å; L189-F254 HydrophobicContact CD1-CG 3.77Å; L189-F254 HydrophobicContact CD1-CZ 4.18Å; L189-F254 HydrophobicContact CD2-CB 4.1Å; L189-F254 HydrophobicContact CD2-CG 4.36Å
190N80.7Confident88.1Confident79 Ų7952.7 Ų52.742%0.42231%0.307SS..  trans-49.1110.1178.9179.40.4000111.4F188 N192 S193 G256F188-N190 VanDerWaalsContact C-N 3.34Å; F188-N190 PolarHBondContact O-N 3.34Å; F188-N190 VanDerWaalsContact O-N 3.1Å; N190-N192 PolarHBondContact O-N 3.21Å; N190-N192 VanDerWaalsContact O-N 3.12Å; N190-N192 PolarHBondContact OD1-N 3.04Å; N190-S193 PolarHBondContact O-N 2.93Å; N190-S193 VanDerWaalsContact O-N 3.08Å; N190-S193 PolarHBondContact O-OG 3.07Å; N190-G256 VanDerWaalsContact O-CA 3.3Å; N190-G256 WeakPolarHBondContact O-CA 3.47Å
191A79.4Confident88.4Confident76 Ų7647.9 Ų47.963%0.62828%0.282SS*.THydrogen-bonded Turntrans-64-19.9-176.100000113.8L189 A257L189-A191 PolarHBondContact O-N 3.25Å; A191-A257 HydrophobicContact CB-CB 3.83Å
192N79.5Confident88.9Confident155 Ų15546.2 Ų46.283%0.82926%0.262SS*.THydrogen-bonded Turntrans-97.4-6.4178.9-64.9-24.1000113.3N190N190-N192 PolarHBondContact O-N 3.21Å; N190-N192 VanDerWaalsContact O-N 3.12Å; N190-N192 PolarHBondContact OD1-N 3.04Å
193S82.1Confident89.3Confident23 Ų2341 Ų4116%0.16123%0.226CC..  trans-92.9151.2174.7820000112.4N190 E195 G256N190-S193 PolarHBondContact O-N 2.93Å; N190-S193 VanDerWaalsContact O-N 3.08Å; N190-S193 PolarHBondContact O-OG 3.07Å; S193-E195 VanDerWaalsContact C-N 3.34Å; S193-E195 WeakPolarHBondContact CB-OE2 3.38Å; S193-E195 PolarHBondContact OG-OE2 2.82Å; S193-E195 VanDerWaalsContact OG-OE2 3.06Å; S193-G256 WeakPolarHBondContact O-CA 3.41Å; S193-G256 PolarHBondContact O-N 3.32Å
194T86.4Confident89.4Confident64 Ų6439.9 Ų39.939%0.39323%0.227SC..  trans-97.910.617317.70000111.7D164D164-T194 PolarHBondContact N-O 3.29Å; D164-T194 VanDerWaalsContact OD2-CB 3.24Å; D164-T194 WeakPolarHBondContact OD2-CB 3.02Å; D164-T194 PolarHBondContact OD2-OG1 3.48Å
195E89.3Confident89.7Confident55 Ų5544.5 Ų44.526%0.25724%0.24SC..BIsolated β-bridgetrans-69144.1175.8-63.7170.7125.500110.7S193 G256S193-E195 VanDerWaalsContact C-N 3.34Å; S193-E195 WeakPolarHBondContact CB-OE2 3.38Å; S193-E195 PolarHBondContact OG-OE2 2.82Å; S193-E195 VanDerWaalsContact OG-OE2 3.06Å; E195-G256 PolarHBondContact O-N 2.96Å
196C92.1Very high89.8Confident1 Ų145.2 Ų45.21%0.00725%0.245CC..EExtended strand (participates in β ladder)trans-98.9137.4179.1-74.30000112.9C163 M226 H227 L253 F254C163-C196 HydrophobicContact CB-CB 3.61Å; C163-C196 WeakPolarHBondContact CB-SG 3.3Å; C163-C196 WeakPolarHBondContact SG-CB 3.37Å; C163-C196 CovalentContact SG-SG 2.02Å; C163-C196 PolarHBondContact SG-SG 3.28Å; C196-M226 HydrophobicContact CB-CG 4.36Å; C196-M226 HydrophobicContact CB-SD 4.24Å; C196-M226 WeakPolarHBondContact O-CG 3.49Å; C196-H227 PolarHBondContact O-N 3.17Å; C196-L253 HydrophobicContact CB-CD1 4.3Å; C196-F254 VanDerWaalsContact CA-O 3.26Å; C196-F254 WeakPolarHBondContact CA-O 3.32Å
197S93.4Very high90.1Very high7 Ų748.7 Ų48.75%0.04926%0.26CS..EExtended strand (participates in β ladder)trans-131.8131.5-174.6-65.10000109.9H227 F254S197-H227 CarbonylContact C-O 3.53Å; S197-H227 WeakPolarHBondContact CA-O 3.4Å; S197-F254 PolarHBondContact N-O 3.43Å; S197-F254 PolarHBondContact O-N 3.11Å
198V95.3Very high90.4Very high2 Ų248.8 Ų48.81%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-101121.2173.7-177.90000108.5F216 H227 F228 L229 I251 L253 I277V198-F216 HydrophobicContact CG1-CE2 3.84Å; V198-F216 HydrophobicContact CG1-CZ 4.13Å; V198-H227 PolarHBondContact N-O 3.48Å; V198-F228 HydrophobicContact CB-CD1 3.72Å; V198-F228 HydrophobicContact CB-CE1 3.69Å; V198-F228 HydrophobicContact CG1-CD1 4.23Å; V198-F228 HydrophobicContact CG1-CE1 4.21Å; V198-F228 HydrophobicContact CG2-CD1 4.3Å; V198-F228 HydrophobicContact CG2-CE1 3.76Å; V198-F228 HydrophobicContact CG2-CZ 4.37Å; V198-F228 WeakPolarHBondContact O-CA 3.21Å; V198-L229 PolarHBondContact O-N 2.9Å; V198-I251 HydrophobicContact CG1-CG2 3.5Å; V198-L253 HydrophobicContact CG2-CD1 3.89Å; V198-I277 HydrophobicContact CG2-CD1 4.09Å; V198-I277 HydrophobicContact CG2-CG1 4.19Å
199V96.3Very high90.8Very high0 Ų045.9 Ų45.90%024%0.243CC..EExtended strand (participates in β ladder)trans-113.2121.2-176.3-176.10000109.8L185 L189 F201 L229 L231 I251 L252 F254L185-V199 HydrophobicContact CD1-CG1 3.94Å; L185-V199 HydrophobicContact CD1-CG2 3.98Å; L185-V199 HydrophobicContact CD2-CG1 3.96Å; L185-V199 HydrophobicContact CD2-CG2 4.38Å; L189-V199 HydrophobicContact CD2-CG2 4.34Å; V199-F201 HydrophobicContact CB-CE2 4.34Å; V199-F201 HydrophobicContact CG1-CD2 4.14Å; V199-F201 HydrophobicContact CG1-CE2 3.69Å; V199-F201 HydrophobicContact CG1-CZ 4.38Å; V199-L229 CarbonylContact C-O 3.34Å; V199-L229 WeakPolarHBondContact CA-O 3.23Å; V199-L229 HydrophobicContact CG2-CB 4.35Å; V199-L229 HydrophobicContact CG2-CD1 4.16Å; V199-L231 HydrophobicContact CG1-CD2 3.54Å; V199-I251 WeakPolarHBondContact O-CA 3.41Å; V199-L252 PolarHBondContact N-O 3.07Å; V199-L252 PolarHBondContact O-N 3.11Å; V199-F254 HydrophobicContact CB-CD2 3.95Å; V199-F254 HydrophobicContact CB-CE2 3.8Å; V199-F254 HydrophobicContact CG1-CE2 4.49Å; V199-F254 HydrophobicContact CG2-CD2 3.44Å; V199-F254 VanDerWaalsContact CG2-CD2 3.44Å; V199-F254 HydrophobicContact CG2-CE2 3.66Å; V199-F254 HydrophobicContact CG2-CG 4.37Å
200L96.4Very high91.1Very high2 Ų246 Ų461%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-97118.9172.4168.159.7000110.6F202 L212 F216 L229 A230 L231 P249 I251 L300L200-F202 HydrophobicContact CD1-CB 4.32Å; L200-F202 HydrophobicContact CD2-CB 4.36Å; L200-F202 HydrophobicContact CG-CB 4.09Å; L200-L212 HydrophobicContact CD1-CD2 3.59Å; L200-L212 HydrophobicContact CD2-CD2 4.03Å; L200-L212 HydrophobicContact CG-CD2 4.49Å; L200-F216 HydrophobicContact CB-CD1 4.13Å; L200-F216 HydrophobicContact CB-CD2 4.17Å; L200-F216 HydrophobicContact CB-CE1 3.68Å; L200-F216 HydrophobicContact CB-CE2 3.74Å; L200-F216 HydrophobicContact CB-CG 4.36Å; L200-F216 HydrophobicContact CB-CZ 3.48Å; L200-F216 VanDerWaalsContact CB-CZ 3.48Å; L200-F216 HydrophobicContact CD2-CB 4.08Å; L200-F216 HydrophobicContact CD2-CD1 3.71Å; L200-F216 HydrophobicContact CD2-CD2 4.08Å; L200-F216 HydrophobicContact CD2-CE1 4.14Å; L200-F216 HydrophobicContact CD2-CE2 4.49Å; L200-F216 HydrophobicContact CD2-CG 3.67Å; L200-L229 PolarHBondContact N-O 3.2Å; L200-A230 HydrophobicContact CB-CB 4.28Å; L200-A230 CarbonylContact O-C 3.58Å; L200-A230 VanDerWaalsContact O-CA 3.32Å; L200-A230 WeakPolarHBondContact O-CA 3.42Å; L200-L231 PolarHBondContact O-N 3.18Å; L200-P249 HydrophobicContact CD1-CB 3.81Å; L200-I251 HydrophobicContact CD1-CG1 3.9Å; L200-L300 HydrophobicContact CD2-CD1 3.74Å
201F96.6Very high91.8Very high0 Ų048.4 Ų48.40%025%0.251CS..EExtended strand (participates in β ladder)trans-88.5112.1165.2-65.2-112.1000107.7L185 V199 L231 A233 F243 T245 V248 P249 N250 L252L185-F201 HydrophobicContact CD2-CZ 4.46Å; V199-F201 HydrophobicContact CB-CE2 4.34Å; V199-F201 HydrophobicContact CG1-CD2 4.14Å; V199-F201 HydrophobicContact CG1-CE2 3.69Å; V199-F201 HydrophobicContact CG1-CZ 4.38Å; F201-L231 HydrophobicContact CD1-CD1 3.64Å; F201-L231 HydrophobicContact CD1-CD2 4.24Å; F201-L231 HydrophobicContact CD1-CG 4.15Å; F201-L231 HydrophobicContact CE1-CD1 3.84Å; F201-L231 HydrophobicContact CE1-CD2 3.93Å; F201-L231 HydrophobicContact CE1-CG 4.31Å; F201-L231 HydrophobicContact CE2-CD2 4.19Å; F201-L231 HydrophobicContact CG-CD1 4.28Å; F201-L231 HydrophobicContact CG-CD2 4.5Å; F201-L231 HydrophobicContact CG-CG 4.36Å; F201-L231 HydrophobicContact CZ-CD2 3.89Å; F201-A233 HydrophobicContact CB-CB 4.48Å; F201-F243 HydrophobicContact CE1-CD2 4.23Å; F201-F243 HydrophobicContact CZ-CB 4.18Å; F201-F243 AromaticContact CZ-CD2 3.67Å; F201-F243 HydrophobicContact CZ-CD2 3.67Å; F201-F243 HydrophobicContact CZ-CE2 4.44Å; F201-F243 HydrophobicContact CZ-CG 4.22Å; F201-T245 HydrophobicContact CB-CG2 3.77Å; F201-T245 HydrophobicContact CD1-CG2 3.93Å; F201-T245 HydrophobicContact CG-CG2 3.99Å; F201-V248 HydrophobicContact CB-CG1 4.49Å; F201-P249 WeakPolarHBondContact O-CA 3.19Å; F201-N250 HydrophobicContact CB-CB 4.34Å; F201-N250 PolarHBondContact N-O 3.13Å; F201-N250 PolarHBondContact O-N 3.02Å; F201-L252 HydrophobicContact CD2-CD1 4.38Å; F201-L252 HydrophobicContact CE2-CD1 3.7Å; F201-L252 HydrophobicContact CE2-CG 4.2Å; F201-L252 HydrophobicContact CZ-CD1 4.23Å
202F95.7Very high92.6Very high29 Ų2944.9 Ų44.913%0.12722%0.222CC..EExtended strand (participates in β ladder)trans-125.8174.6-179.578.4-78.6000111V178 L200 A230 L231 D232 A233 L300V178-F202 HydrophobicContact CG1-CE1 4.32Å; V178-F202 HydrophobicContact CG1-CZ 4.19Å; L200-F202 HydrophobicContact CD1-CB 4.32Å; L200-F202 HydrophobicContact CD2-CB 4.36Å; L200-F202 HydrophobicContact CG-CB 4.09Å; F202-A230 HydrophobicContact CD1-CB 3.99Å; F202-A230 HydrophobicContact CE1-CB 3.86Å; F202-L231 WeakPolarHBondContact CD1-O 3.32Å; F202-L231 VanDerWaalsContact CE1-C 3.49Å; F202-L231 PolarHBondContact N-O 3.25Å; F202-D232 CarbonylContact O-C 3.53Å; F202-D232 WeakPolarHBondContact O-CA 3.28Å; F202-A233 PolarHBondContact O-N 2.77Å; F202-L300 HydrophobicContact CD1-CD2 4.13Å; F202-L300 HydrophobicContact CD2-CD2 4.4Å; F202-L300 HydrophobicContact CE1-CD2 3.72Å; F202-L300 HydrophobicContact CE2-CD2 4.02Å; F202-L300 HydrophobicContact CG-CD2 4.47Å; F202-L300 HydrophobicContact CZ-CD2 3.67Å
203T94.6Very high93.3Very high5 Ų537.6 Ų37.63%0.03118%0.183CC..  trans-137.2143.9160.361.70000109.6W205 C206 S209 A233 V248T203-W205 HydrophobicContact CG2-CH2 4.38Å; T203-W205 HydrophobicContact CG2-CZ2 3.71Å; T203-W205 PolarHBondContact O-N 3.39Å; T203-C206 PolarHBondContact O-N 3.33Å; T203-C206 WeakPolarHBondContact OG1-CB 3.46Å; T203-S209 PolarHBondContact N-OG 3.12Å; T203-A233 HydrophobicContact CG2-CB 4.16Å; T203-V248 HydrophobicContact CG2-CG1 4.38Å; T203-V248 HydrophobicContact CG2-CG2 4.02Å
204A92.3Very high93.9Very high37 Ų3737.9 Ų37.931%0.30618%0.184SC..THydrogen-bonded Turntrans-63.9-26.7-174.600000113.7P304 V305A204-P304 CarbonylContact O-C 3.52Å; A204-P304 VanDerWaalsContact O-CA 3.31Å; A204-P304 WeakPolarHBondContact O-CA 3.37Å; A204-V305 HydrophobicContact CB-CB 4.24Å; A204-V305 HydrophobicContact CB-CG2 3.95Å; A204-V305 PolarHBondContact O-N 3Å
205W91.8Very high94.3Very high161 Ų16137.6 Ų37.661%0.6118%0.178SC*.THydrogen-bonded Turntrans-91.7-5-17845.5-95.7000114.1T203 V305T203-W205 HydrophobicContact CG2-CH2 4.38Å; T203-W205 HydrophobicContact CG2-CZ2 3.71Å; T203-W205 PolarHBondContact O-N 3.39Å; W205-V305 WeakPolarHBondContact CA-O 3.34Å
206C94.1Very high94.6Very high15 Ų1535 Ų3510%0.10117%0.166CC..  trans-89.6119.9-177.9172.80000112.4T203 F208 S209 A210 V248T203-C206 PolarHBondContact O-N 3.33Å; T203-C206 WeakPolarHBondContact OG1-CB 3.46Å; C206-F208 VanDerWaalsContact C-N 3.3Å; C206-F208 PolarHBondContact O-N 3.2Å; C206-S209 WeakPolarHBondContact O-CB 3.48Å; C206-S209 PolarHBondContact O-N 2.87Å; C206-S209 VanDerWaalsContact O-N 3.1Å; C206-A210 PolarHBondContact O-N 3.48Å; C206-V248 HydrophobicContact CB-CG2 4.21Å
207Q94.4Very high94.7Very high109 Ų10935.2 Ų35.251%0.50917%0.168SC..Hα-helixtrans-59.5-35.9178.7-165-169.326.500113.2S209 A210 K211Q207-S209 VanDerWaalsContact C-N 3.34Å; Q207-A210 PolarHBondContact O-N 3.05Å; Q207-K211 WeakPolarHBondContact O-CG 3.36Å; Q207-K211 PolarHBondContact O-N 3.36Å
208F93.9Very high94.7Very high135 Ų13534.9 Ų34.959%0.59217%0.165SC*.Hα-helixtrans-68.5-34.7177.2-57.9-73.5000112.2C206 L212 P249C206-F208 VanDerWaalsContact C-N 3.3Å; C206-F208 PolarHBondContact O-N 3.2Å; F208-L212 PolarHBondContact O-N 3.13Å; F208-P249 HydrophobicContact CB-CG 4.41Å
209S95.3Very high94.6Very high6 Ų634.9 Ų34.94%0.04217%0.165CC..Hα-helixtrans-66.9-45.5173.8-64.10000110.9T203 C206 Q207 K211 L212 A213T203-S209 PolarHBondContact N-OG 3.12Å; C206-S209 WeakPolarHBondContact O-CB 3.48Å; C206-S209 PolarHBondContact O-N 2.87Å; C206-S209 VanDerWaalsContact O-N 3.1Å; Q207-S209 VanDerWaalsContact C-N 3.34Å; S209-K211 VanDerWaalsContact C-N 3.35Å; S209-K211 PolarHBondContact O-N 2.93Å; S209-L212 PolarHBondContact O-N 2.84Å; S209-L212 VanDerWaalsContact O-N 3.12Å; S209-A213 PolarHBondContact O-N 3.31Å
210A94.5Very high94.3Very high6 Ų635.1 Ų35.15%0.0517%0.167CC..Hα-helixtrans-59.9-40.7176.700000112.4C206 Q207 L212 A213 P214 S302 P304C206-A210 PolarHBondContact O-N 3.48Å; Q207-A210 PolarHBondContact O-N 3.05Å; A210-L212 VanDerWaalsContact C-N 3.34Å; A210-L212 PolarHBondContact O-N 2.83Å; A210-A213 WeakPolarHBondContact O-CB 3.36Å; A210-A213 PolarHBondContact O-N 3.22Å; A210-P214 WeakPolarHBondContact O-CD 3.45Å; A210-S302 WeakPolarHBondContact CB-O 3.35Å; A210-S302 WeakPolarHBondContact O-CA 3.43Å; A210-P304 HydrophobicContact CB-CB 4.25Å; A210-P304 HydrophobicContact CB-CG 4.48Å
211K94.5Very high94Very high128 Ų12839.5 Ų39.556%0.55718%0.183SC*.Hα-helixtrans-64.7-32.4173.9-74.4177.3177.7179.80113.8Q207 S209Q207-K211 WeakPolarHBondContact O-CG 3.36Å; Q207-K211 PolarHBondContact O-N 3.36Å; S209-K211 VanDerWaalsContact C-N 3.35Å; S209-K211 PolarHBondContact O-N 2.93Å
212L95.5Very high93.7Very high2 Ų239.7 Ų39.71%0.0118%0.184CC..Hα-helixtrans-77.5-33.3176.9165.767.1000112.7L200 F208 S209 A210 H215 F216 P249 I251 R268 L273L200-L212 HydrophobicContact CD1-CD2 3.59Å; L200-L212 HydrophobicContact CD2-CD2 4.03Å; L200-L212 HydrophobicContact CG-CD2 4.49Å; F208-L212 PolarHBondContact O-N 3.13Å; S209-L212 PolarHBondContact O-N 2.84Å; S209-L212 VanDerWaalsContact O-N 3.12Å; A210-L212 VanDerWaalsContact C-N 3.34Å; A210-L212 PolarHBondContact O-N 2.83Å; L212-H215 HydrophobicContact CD1-CB 4.42Å; L212-H215 WeakPolarHBondContact O-CB 3.47Å; L212-H215 PolarHBondContact O-N 3.02Å; L212-F216 HydrophobicContact CD1-CB 4.36Å; L212-F216 HydrophobicContact CG-CB 4.36Å; L212-F216 PolarHBondContact O-N 2.83Å; L212-P249 HydrophobicContact CB-CG 4.32Å; L212-P249 HydrophobicContact CD2-CB 3.51Å; L212-P249 HydrophobicContact CD2-CG 3.83Å; L212-I251 HydrophobicContact CD1-CD1 4.3Å; L212-I251 HydrophobicContact CD2-CD1 3.95Å; L212-I251 HydrophobicContact CD2-CG1 4.34Å; L212-R268 HydrophobicContact CD1-CB 3.96Å; L212-L273 HydrophobicContact CD1-CD1 3.71Å
213A95.3Very high93.4Very high2 Ų238.4 Ų38.42%0.01718%0.178CC..Hα-helixtrans-41.8-52.5-174.900000115.2S209 A210 H215 F216 N217 L300 S301S209-A213 PolarHBondContact O-N 3.31Å; A210-A213 WeakPolarHBondContact O-CB 3.36Å; A210-A213 PolarHBondContact O-N 3.22Å; A213-H215 VanDerWaalsContact C-N 3.29Å; A213-H215 PolarHBondContact O-N 2.88Å; A213-F216 PolarHBondContact O-N 2.92Å; A213-N217 WeakPolarHBondContact O-CB 3.44Å; A213-N217 PolarHBondContact O-N 2.92Å; A213-N217 PolarHBondContact O-ND2 2.96Å; A213-L300 HydrophobicContact CB-CB 3.65Å; A213-S301 VanDerWaalsContact CB-O 3.28Å; A213-S301 WeakPolarHBondContact CB-O 3.3Å
214P94.8Very high93.1Very high30 Ų3039.9 Ų39.920%0.19519%0.188CC..Hα-helixtrans-65.3-27.5-179.325.7-35.7000114.2A210 R296A210-P214 WeakPolarHBondContact O-CD 3.45Å; P214-R296 HydrophobicContact CB-CB 4.02Å
215H94.4Very high92.8Very high57 Ų5739.2 Ų39.226%0.26418%0.182SC..Hα-helixtrans-76.9-37.6173.9-63-54.3000111.7L212 A213 R268 L270 L273L212-H215 HydrophobicContact CD1-CB 4.42Å; L212-H215 WeakPolarHBondContact O-CB 3.47Å; L212-H215 PolarHBondContact O-N 3.02Å; A213-H215 VanDerWaalsContact C-N 3.29Å; A213-H215 PolarHBondContact O-N 2.88Å; H215-R268 PolarHBondContact CD2-O 2.85Å; H215-R268 VanDerWaalsContact CD2-O 3.28Å; H215-L270 HydrophobicContact CB-CB 4.42Å; H215-L273 HydrophobicContact CB-CD1 4.12Å
216F95.6Very high92.7Very high0 Ų031.8 Ų31.80%015%0.154CC..Hα-helixtrans-72.1-39.2178.1-162.2-97.6000112.2V176 V198 L200 L212 A213 A218 L219 F228 A230 I251 L300V176-F216 HydrophobicContact CG1-CD1 3.98Å; V176-F216 HydrophobicContact CG1-CE1 3.74Å; V176-F216 HydrophobicContact CG2-CD1 3.78Å; V176-F216 HydrophobicContact CG2-CE1 4.02Å; V176-F216 WeakPolarHBondContact CG2-O 3.26Å; V198-F216 HydrophobicContact CG1-CE2 3.84Å; V198-F216 HydrophobicContact CG1-CZ 4.13Å; L200-F216 HydrophobicContact CB-CD1 4.13Å; L200-F216 HydrophobicContact CB-CD2 4.17Å; L200-F216 HydrophobicContact CB-CE1 3.68Å; L200-F216 HydrophobicContact CB-CE2 3.74Å; L200-F216 HydrophobicContact CB-CG 4.36Å; L200-F216 HydrophobicContact CB-CZ 3.48Å; L200-F216 VanDerWaalsContact CB-CZ 3.48Å; L200-F216 HydrophobicContact CD2-CB 4.08Å; L200-F216 HydrophobicContact CD2-CD1 3.71Å; L200-F216 HydrophobicContact CD2-CD2 4.08Å; L200-F216 HydrophobicContact CD2-CE1 4.14Å; L200-F216 HydrophobicContact CD2-CE2 4.49Å; L200-F216 HydrophobicContact CD2-CG 3.67Å; L212-F216 HydrophobicContact CD1-CB 4.36Å; L212-F216 HydrophobicContact CG-CB 4.36Å; L212-F216 PolarHBondContact O-N 2.83Å; A213-F216 PolarHBondContact O-N 2.92Å; F216-A218 PolarHBondContact O-N 3.36Å; F216-L219 HydrophobicContact CD2-CD1 3.64Å; F216-L219 HydrophobicContact CE2-CD1 3.97Å; F216-L219 HydrophobicContact CG-CD1 4.33Å; F216-L219 PolarHBondContact O-N 2.84Å; F216-L219 VanDerWaalsContact O-N 3.12Å; F216-F228 HydrophobicContact CE1-CB 4.28Å; F216-F228 HydrophobicContact CE2-CD1 4.34Å; F216-F228 HydrophobicContact CZ-CB 4.4Å; F216-F228 HydrophobicContact CZ-CD1 4.04Å; F216-A230 HydrophobicContact CE1-CB 4.42Å; F216-I251 HydrophobicContact CD2-CD1 4.45Å; F216-I251 HydrophobicContact CE2-CG2 4.34Å; F216-L300 HydrophobicContact CB-CD1 4.29Å; F216-L300 HydrophobicContact CD1-CD1 3.71Å; F216-L300 HydrophobicContact CG-CD1 4.39Å
217N94.8Very high92.5Very high7 Ų732.9 Ų32.94%0.03716%0.157CC..Hα-helixtrans-55.2-32.8174.8-74.9-26.5000113A213 P220 D295 R296 G298 L300A213-N217 WeakPolarHBondContact O-CB 3.44Å; A213-N217 PolarHBondContact O-N 2.92Å; A213-N217 PolarHBondContact O-ND2 2.96Å; N217-P220 WeakPolarHBondContact O-CD 3.26Å; N217-D295 CarbonylContact C-O 3.55Å; N217-D295 WeakPolarHBondContact CB-O 3.39Å; N217-R296 WeakPolarHBondContact CB-O 3.3Å; N217-R296 PolarHBondContact ND2-O 2.86Å; N217-G298 VanDerWaalsContact CG-CA 3.43Å; N217-G298 WeakPolarHBondContact ND2-CA 3.45Å; N217-G298 PolarHBondContact ND2-N 3.33Å; N217-L300 PolarHBondContact ND2-O 3.29Å; N217-L300 WeakPolarHBondContact OD1-CB 3.33Å; N217-L300 PolarHBondContact OD1-N 3.48Å
218A92.5Very high92.5Very high0 Ų028.1 Ų28.10%014%0.135CC..THydrogen-bonded Turntrans-81.6-17.8179.900000115F216 P220 R221 V222 L270 V291F216-A218 PolarHBondContact O-N 3.36Å; A218-P220 VanDerWaalsContact C-CD 3.49Å; A218-R221 WeakPolarHBondContact O-CB 3.36Å; A218-R221 PolarHBondContact O-N 2.83Å; A218-V222 PolarHBondContact O-N 3.46Å; A218-L270 HydrophobicContact CB-CD1 4.01Å; A218-L270 HydrophobicContact CB-CD2 4.36Å; A218-V291 HydrophobicContact CB-CG1 3.44Å; A218-V291 VanDerWaalsContact CB-CG1 3.44Å; A218-V291 HydrophobicContact CB-CG2 4.33Å
219L92.6Very high92.5Very high1 Ų121.8 Ų21.81%0.00511%0.107CC..Hα-helixtrans-62.1-38.6-176.7-71.6171.1000115.5F216 R221 V222 F223 F228 L270 L273 I277F216-L219 HydrophobicContact CD2-CD1 3.64Å; F216-L219 HydrophobicContact CE2-CD1 3.97Å; F216-L219 HydrophobicContact CG-CD1 4.33Å; F216-L219 PolarHBondContact O-N 2.84Å; F216-L219 VanDerWaalsContact O-N 3.12Å; L219-R221 PolarHBondContact O-N 3.06Å; L219-V222 PolarHBondContact O-N 2.87Å; L219-F223 HydrophobicContact CD2-CD2 4.5Å; L219-F223 HydrophobicContact CD2-CE2 4.44Å; L219-F223 PolarHBondContact O-N 3.34Å; L219-F228 HydrophobicContact CB-CD1 3.74Å; L219-F228 HydrophobicContact CB-CE1 3.42Å; L219-F228 VanDerWaalsContact CB-CE1 3.42Å; L219-F228 HydrophobicContact CB-CE2 4.33Å; L219-F228 HydrophobicContact CB-CG 4.35Å; L219-F228 HydrophobicContact CB-CZ 3.75Å; L219-F228 HydrophobicContact CD1-CD1 4.15Å; L219-F228 HydrophobicContact CD1-CE1 3.83Å; L219-F228 HydrophobicContact CG-CE1 4.19Å; L219-L270 HydrophobicContact CD2-CD1 3.7Å; L219-L270 HydrophobicContact CG-CD1 4.16Å; L219-L273 HydrophobicContact CD1-CB 4.06Å; L219-L273 HydrophobicContact CD1-CD1 4.12Å; L219-L273 HydrophobicContact CD2-CB 3.88Å; L219-L273 HydrophobicContact CG-CB 4.49Å; L219-I277 HydrophobicContact CD1-CD1 4.31Å; L219-I277 HydrophobicContact CD2-CD1 4.07Å
220P91.4Very high92.6Very high6 Ų621.5 Ų21.54%0.03911%0.105CC..Hα-helixtrans-55.7-35.3174.3-23.731.4000113.3F174 V176 N217 A218 V222 F223 P224 F228F174-P220 HydrophobicContact CB-CB 3.75Å; F174-P220 WeakPolarHBondContact O-CB 3.31Å; V176-P220 HydrophobicContact CG2-CG 3.71Å; N217-P220 WeakPolarHBondContact O-CD 3.26Å; A218-P220 VanDerWaalsContact C-CD 3.49Å; P220-V222 VanDerWaalsContact C-N 3.34Å; P220-F223 CarbonylContact O-C 3.3Å; P220-F223 VanDerWaalsContact O-C 3.3Å; P220-F223 PolarHBondContact O-N 3.49Å; P220-P224 WeakPolarHBondContact O-CA 3.44Å; P220-F228 HydrophobicContact CB-CD2 3.98Å; P220-F228 HydrophobicContact CG-CB 3.92Å; P220-F228 HydrophobicContact CG-CD2 3.75Å; P220-F228 HydrophobicContact CG-CG 3.93Å
221R89.3Confident92.6Very high94 Ų9421.2 Ų21.236%0.35510%0.103SC..Hα-helixtrans-68.2-34.8177.4-177.958.8176.2-95.22.4112.1A218 L219 D295A218-R221 WeakPolarHBondContact O-CB 3.36Å; A218-R221 PolarHBondContact O-N 2.83Å; L219-R221 PolarHBondContact O-N 3.06Å; R221-D295 IonicContact CZ-OD1 3.93Å; R221-D295 IonicContact CZ-OD2 3.99Å; R221-D295 IonicContact NH1-OD1 2.89Å; R221-D295 PolarHBondContact NH1-OD1 3.47Å; R221-D295 IonicContact NH1-OD2 3.32Å; R221-D295 PolarHBondContact NH1-OD2 3.22Å
222V89.9Confident92.6Very high4 Ų415.7 Ų15.72%0.0248%0.079CC..Hα-helixtrans-77-35.4177.1-175.50000111.5A218 L219 P220 L270 T274 A285 G286 V291A218-V222 PolarHBondContact O-N 3.46Å; L219-V222 PolarHBondContact O-N 2.87Å; P220-V222 VanDerWaalsContact C-N 3.34Å; V222-L270 HydrophobicContact CG2-CD1 4.28Å; V222-T274 HydrophobicContact CG1-CG2 4.16Å; V222-A285 HydrophobicContact CG1-CB 3.61Å; V222-G286 PolarHBondContact O-N 2.8Å; V222-V291 HydrophobicContact CG2-CG2 3.72Å
223F90.4Very high92.5Very high1 Ų116.3 Ų16.30%0.0049%0.085CC..  trans-129.171.5-176.3-61.4-78.5000112.7L219 P220 S225 M226 F228 T274 I277 T278 F283 A285L219-F223 HydrophobicContact CD2-CD2 4.5Å; L219-F223 HydrophobicContact CD2-CE2 4.44Å; L219-F223 PolarHBondContact O-N 3.34Å; P220-F223 CarbonylContact O-C 3.3Å; P220-F223 VanDerWaalsContact O-C 3.3Å; P220-F223 PolarHBondContact O-N 3.49Å; F223-S225 PolarHBondContact O-N 3.1Å; F223-S225 VanDerWaalsContact O-N 3.1Å; F223-M226 HydrophobicContact CB-CE 3.55Å; F223-M226 HydrophobicContact CD1-CE 3.52Å; F223-M226 HydrophobicContact CD2-CE 4.46Å; F223-M226 HydrophobicContact CE1-CE 4.3Å; F223-M226 HydrophobicContact CG-CE 3.6Å; F223-M226 PolarHBondContact O-N 3.05Å; F223-F228 HydrophobicContact CB-CE2 3.91Å; F223-F228 HydrophobicContact CB-CZ 3.9Å; F223-F228 HydrophobicContact CD2-CZ 4.19Å; F223-F228 HydrophobicContact CG-CZ 4.45Å; F223-T274 HydrophobicContact CE2-CG2 3.91Å; F223-T274 HydrophobicContact CZ-CG2 3.68Å; F223-I277 HydrophobicContact CD1-CG2 4.01Å; F223-I277 HydrophobicContact CD2-CD1 4.03Å; F223-I277 HydrophobicContact CD2-CG2 4.11Å; F223-I277 HydrophobicContact CE1-CG2 3.74Å; F223-I277 HydrophobicContact CE2-CB 4.01Å; F223-I277 HydrophobicContact CE2-CD1 3.92Å; F223-I277 HydrophobicContact CE2-CG2 3.85Å; F223-I277 HydrophobicContact CG-CG2 4.17Å; F223-I277 HydrophobicContact CZ-CB 3.93Å; F223-I277 HydrophobicContact CZ-CG2 3.63Å; F223-T278 HydrophobicContact CE1-CG2 3.96Å; F223-T278 HydrophobicContact CZ-CG2 3.8Å; F223-F283 HydrophobicContact CD1-CB 4.47Å; F223-A285 HydrophobicContact CE1-CB 4.32Å; F223-A285 HydrophobicContact CZ-CB 4.36Å
224P87.3Confident92.3Very high37 Ų3719.1 Ų19.124%0.2410%0.104CC..THydrogen-bonded Turntrans-63-20.4-178.626-36000113.6V168 F174 P220 M226V168-P224 HydrophobicContact CG1-CB 4.28Å; V168-P224 HydrophobicContact CG2-CB 4.22Å; V168-P224 WeakPolarHBondContact CG2-O 3.46Å; F174-P224 HydrophobicContact CD1-CB 3.57Å; F174-P224 HydrophobicContact CD2-CB 4.37Å; F174-P224 HydrophobicContact CE1-CB 3.27Å; F174-P224 HydrophobicContact CE2-CB 4.12Å; F174-P224 HydrophobicContact CG-CB 4.13Å; F174-P224 HydrophobicContact CZ-CB 3.59Å; P220-P224 WeakPolarHBondContact O-CA 3.44Å; P224-M226 VanDerWaalsContact C-N 3.27Å; P224-M226 PolarHBondContact O-N 3.19Å
225S86.4Confident92.2Very high23 Ų2322.9 Ų22.916%0.16112%0.119CC..THydrogen-bonded Turntrans-82.28.4179.763.10000115R166 F223R166-S225 VanDerWaalsContact CB-O 3.26Å; R166-S225 WeakPolarHBondContact CB-O 3.31Å; R166-S225 PolarHBondContact N-O 3.42Å; F223-S225 PolarHBondContact O-N 3.1Å; F223-S225 VanDerWaalsContact O-N 3.1Å
226M89.1Confident92.1Very high5 Ų520.9 Ų20.93%0.02511%0.11CC..SBendtrans-130.8159.2178.4-82.1-178.2-76.100111.8C196 F223 P224 F228 I277 T281 F283C196-M226 HydrophobicContact CB-CG 4.36Å; C196-M226 HydrophobicContact CB-SD 4.24Å; C196-M226 WeakPolarHBondContact O-CG 3.49Å; F223-M226 HydrophobicContact CB-CE 3.55Å; F223-M226 HydrophobicContact CD1-CE 3.52Å; F223-M226 HydrophobicContact CD2-CE 4.46Å; F223-M226 HydrophobicContact CE1-CE 4.3Å; F223-M226 HydrophobicContact CG-CE 3.6Å; F223-M226 PolarHBondContact O-N 3.05Å; P224-M226 VanDerWaalsContact C-N 3.27Å; P224-M226 PolarHBondContact O-N 3.19Å; M226-F228 HydrophobicContact CB-CE2 4.11Å; M226-F228 HydrophobicContact CB-CZ 4.45Å; M226-I277 HydrophobicContact CE-CG2 3.26Å; M226-I277 HydrophobicContact SD-CG2 4.06Å; M226-T281 HydrophobicContact SD-CG2 4.18Å; M226-F283 HydrophobicContact CE-CB 4.15Å; M226-F283 HydrophobicContact CE-CD2 3.46Å; M226-F283 VanDerWaalsContact CE-CD2 3.46Å; M226-F283 HydrophobicContact CE-CE2 4.27Å; M226-F283 HydrophobicContact CE-CG 4.27Å; M226-F283 HydrophobicContact CG-CD2 3.89Å; M226-F283 HydrophobicContact CG-CE2 3.73Å; M226-F283 HydrophobicContact SD-CD2 3.54Å; M226-F283 VanDerWaalsContact SD-CD2 3.54Å; M226-F283 HydrophobicContact SD-CE2 3.82Å
227H90.9Very high91.8Very high38 Ų3824.8 Ų24.818%0.17614%0.137CC..EExtended strand (participates in β ladder)trans-90.4137.8171.1-69.5-113.3000110.7R166 C196 S197 V198 L229R166-H227 VanDerWaalsContact CD-NE2 3.32Å; R166-H227 WeakPolarHBondContact CD-NE2 3.18Å; R166-H227 PolarHBondContact NE-NE2 2.83Å; R166-H227 PolarHBondContact NH1-CE1 3.47Å; R166-H227 VanDerWaalsContact NH1-CE1 3.33Å; R166-H227 PolarHBondContact NH1-ND1 2.91Å; C196-H227 PolarHBondContact O-N 3.17Å; S197-H227 CarbonylContact C-O 3.53Å; S197-H227 WeakPolarHBondContact CA-O 3.4Å; V198-H227 PolarHBondContact N-O 3.48Å; H227-L229 HydrophobicContact CB-CD1 3.75Å
228F94.1Very high91.6Very high8 Ų828.4 Ų28.44%0.03516%0.163CC..EExtended strand (participates in β ladder)trans-117.7116.6170.3-67.8-88000108.7V176 Q177 V198 F216 L219 P220 F223 M226 I277V176-F228 HydrophobicContact CG2-CB 4.12Å; Q177-F228 PolarHBondContact N-O 2.94Å; V198-F228 HydrophobicContact CB-CD1 3.72Å; V198-F228 HydrophobicContact CB-CE1 3.69Å; V198-F228 HydrophobicContact CG1-CD1 4.23Å; V198-F228 HydrophobicContact CG1-CE1 4.21Å; V198-F228 HydrophobicContact CG2-CD1 4.3Å; V198-F228 HydrophobicContact CG2-CE1 3.76Å; V198-F228 HydrophobicContact CG2-CZ 4.37Å; V198-F228 WeakPolarHBondContact O-CA 3.21Å; F216-F228 HydrophobicContact CE1-CB 4.28Å; F216-F228 HydrophobicContact CE2-CD1 4.34Å; F216-F228 HydrophobicContact CZ-CB 4.4Å; F216-F228 HydrophobicContact CZ-CD1 4.04Å; L219-F228 HydrophobicContact CB-CD1 3.74Å; L219-F228 HydrophobicContact CB-CE1 3.42Å; L219-F228 VanDerWaalsContact CB-CE1 3.42Å; L219-F228 HydrophobicContact CB-CE2 4.33Å; L219-F228 HydrophobicContact CB-CG 4.35Å; L219-F228 HydrophobicContact CB-CZ 3.75Å; L219-F228 HydrophobicContact CD1-CD1 4.15Å; L219-F228 HydrophobicContact CD1-CE1 3.83Å; L219-F228 HydrophobicContact CG-CE1 4.19Å; P220-F228 HydrophobicContact CB-CD2 3.98Å; P220-F228 HydrophobicContact CG-CB 3.92Å; P220-F228 HydrophobicContact CG-CD2 3.75Å; P220-F228 HydrophobicContact CG-CG 3.93Å; F223-F228 HydrophobicContact CB-CE2 3.91Å; F223-F228 HydrophobicContact CB-CZ 3.9Å; F223-F228 HydrophobicContact CD2-CZ 4.19Å; F223-F228 HydrophobicContact CG-CZ 4.45Å; M226-F228 HydrophobicContact CB-CE2 4.11Å; M226-F228 HydrophobicContact CB-CZ 4.45Å; F228-I277 HydrophobicContact CE1-CD1 3.84Å; F228-I277 HydrophobicContact CZ-CD1 4.05Å
229L95.1Very high91.6Very high2 Ų228.9 Ų28.91%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-118145.8-177.8-51.690.6000108.7Q177 L179 L185 F188 V198 V199 L200 H227Q177-L229 CarbonylContact O-C 3.56Å; Q177-L229 VanDerWaalsContact O-CA 3.3Å; Q177-L229 WeakPolarHBondContact O-CA 3.32Å; L179-L229 HydrophobicContact CD1-CB 4.01Å; L179-L229 HydrophobicContact CD1-CD2 4.1Å; L185-L229 HydrophobicContact CD1-CB 4.49Å; L185-L229 HydrophobicContact CD1-CD2 4.05Å; F188-L229 HydrophobicContact CB-CD2 3.6Å; F188-L229 HydrophobicContact CG-CD2 4.19Å; V198-L229 PolarHBondContact O-N 2.9Å; V199-L229 CarbonylContact C-O 3.34Å; V199-L229 WeakPolarHBondContact CA-O 3.23Å; V199-L229 HydrophobicContact CG2-CB 4.35Å; V199-L229 HydrophobicContact CG2-CD1 4.16Å; L200-L229 PolarHBondContact N-O 3.2Å; H227-L229 HydrophobicContact CB-CD1 3.75Å
230A95.7Very high91.6Very high0 Ų029.3 Ų29.30%017%0.169CC..EExtended strand (participates in β ladder)trans-132.5135.4173.600000109.7V176 Q177 V178 L179 L200 F202 F216 L300V176-A230 HydrophobicContact CG1-CB 3.8Å; Q177-A230 PolarHBondContact O-N 3.03Å; V178-A230 CarbonylContact C-O 3.56Å; V178-A230 WeakPolarHBondContact CA-O 3.47Å; V178-A230 HydrophobicContact CG2-CB 4.48Å; L179-A230 PolarHBondContact N-O 2.99Å; L200-A230 HydrophobicContact CB-CB 4.28Å; L200-A230 CarbonylContact O-C 3.58Å; L200-A230 VanDerWaalsContact O-CA 3.32Å; L200-A230 WeakPolarHBondContact O-CA 3.42Å; F202-A230 HydrophobicContact CD1-CB 3.99Å; F202-A230 HydrophobicContact CE1-CB 3.86Å; F216-A230 HydrophobicContact CE1-CB 4.42Å; A230-L300 HydrophobicContact CB-CD1 4.02Å; A230-L300 HydrophobicContact CB-CD2 3.76Å; A230-L300 HydrophobicContact CB-CG 4.32Å
231L95.1Very high91.7Very high0 Ų034.6 Ų34.60%020%0.201CC..EExtended strand (participates in β ladder)trans-134.9141.5-178.573.296.8000111L179 L185 V199 L200 F201 F202 A233 H236L179-L231 HydrophobicContact CB-CB 4.24Å; L185-L231 HydrophobicContact CB-CD2 4.47Å; L185-L231 HydrophobicContact CD1-CD2 4.14Å; L185-L231 HydrophobicContact CD2-CD2 3.8Å; L185-L231 HydrophobicContact CG-CD2 4.35Å; V199-L231 HydrophobicContact CG1-CD2 3.54Å; L200-L231 PolarHBondContact O-N 3.18Å; F201-L231 HydrophobicContact CD1-CD1 3.64Å; F201-L231 HydrophobicContact CD1-CD2 4.24Å; F201-L231 HydrophobicContact CD1-CG 4.15Å; F201-L231 HydrophobicContact CE1-CD1 3.84Å; F201-L231 HydrophobicContact CE1-CD2 3.93Å; F201-L231 HydrophobicContact CE1-CG 4.31Å; F201-L231 HydrophobicContact CE2-CD2 4.19Å; F201-L231 HydrophobicContact CG-CD1 4.28Å; F201-L231 HydrophobicContact CG-CD2 4.5Å; F201-L231 HydrophobicContact CG-CG 4.36Å; F201-L231 HydrophobicContact CZ-CD2 3.89Å; F202-L231 WeakPolarHBondContact CD1-O 3.32Å; F202-L231 VanDerWaalsContact CE1-C 3.49Å; F202-L231 PolarHBondContact N-O 3.25Å; L231-A233 PolarHBondContact O-N 3.47Å; L231-H236 HydrophobicContact CD1-CB 3.79Å
232D94.8Very high91.9Very high12 Ų1237.6 Ų37.66%0.06421%0.213CC..EExtended strand (participates in β ladder)trans-78.6109.4177-170.1-21.9000110F202 S234 Q235 H236F202-D232 CarbonylContact O-C 3.53Å; F202-D232 WeakPolarHBondContact O-CA 3.28Å; D232-S234 VanDerWaalsContact CG-OG 3.28Å; D232-S234 PolarHBondContact O-N 3.44Å; D232-S234 WeakPolarHBondContact OD1-CB 3.45Å; D232-S234 PolarHBondContact OD1-N 3.5Å; D232-S234 PolarHBondContact OD1-OG 2.94Å; D232-S234 PolarHBondContact OD2-OG 2.81Å; D232-Q235 HydrophobicContact CB-CB 4.27Å; D232-Q235 HydrophobicContact CB-CG 4.11Å; D232-Q235 PolarHBondContact O-N 2.86Å; D232-Q235 VanDerWaalsContact O-N 3.13Å; D232-Q235 PolarHBondContact OD2-NE2 2.92Å; D232-H236 WeakPolarHBondContact O-CB 3.43Å; D232-H236 PolarHBondContact O-N 3.46Å
233A93.9Very high92Very high15 Ų1538.5 Ų38.512%0.12422%0.216CC..THydrogen-bonded Turntrans-62.9-22.7179.500000113.2F201 F202 T203 L231 S240 V248F201-A233 HydrophobicContact CB-CB 4.48Å; F202-A233 PolarHBondContact O-N 2.77Å; T203-A233 HydrophobicContact CG2-CB 4.16Å; L231-A233 PolarHBondContact O-N 3.47Å; A233-S240 WeakPolarHBondContact CA-OG 3.49Å; A233-S240 WeakPolarHBondContact CB-OG 3.29Å; A233-S240 PolarHBondContact O-OG 2.94Å; A233-V248 HydrophobicContact CB-CG1 3.76Å
234S91.2Very high92.1Very high62 Ų6240 Ų4043%0.43423%0.233SC..THydrogen-bonded Turntrans-77.2-24.9177700000113D232D232-S234 VanDerWaalsContact CG-OG 3.28Å; D232-S234 PolarHBondContact O-N 3.44Å; D232-S234 WeakPolarHBondContact OD1-CB 3.45Å; D232-S234 PolarHBondContact OD1-N 3.5Å; D232-S234 PolarHBondContact OD1-OG 2.94Å; D232-S234 PolarHBondContact OD2-OG 2.81Å
235Q91.6Very high92.5Very high109 Ų10939 Ų3951%0.50923%0.226SC..THydrogen-bonded Turntrans-90.7-35.2174.4-59.3178.35500110.8D232D232-Q235 HydrophobicContact CB-CB 4.27Å; D232-Q235 HydrophobicContact CB-CG 4.11Å; D232-Q235 PolarHBondContact O-N 2.86Å; D232-Q235 VanDerWaalsContact O-N 3.13Å; D232-Q235 PolarHBondContact OD2-NE2 2.92Å
236H91.7Very high92.7Very high15 Ų1544.8 Ų44.87%0.06926%0.259CS..  trans-104.161.7-177.5-71.4-68.7000112.9N180 A181 Q183 L231 D232 S238 L239 S240N180-H236 PolarHBondContact O-CE1 2.97Å; N180-H236 PolarHBondContact O-NE2 3.05Å; A181-H236 PolarHBondContact O-CE1 3.32Å; Q183-H236 PolarHBondContact O-CE1 2.9Å; L231-H236 HydrophobicContact CD1-CB 3.79Å; D232-H236 WeakPolarHBondContact O-CB 3.43Å; D232-H236 PolarHBondContact O-N 3.46Å; H236-S238 PolarHBondContact O-N 2.72Å; H236-L239 HydrophobicContact CB-CB 4.38Å; H236-L239 HydrophobicContact CB-CD1 4.29Å; H236-S240 WeakPolarHBondContact O-CB 3.31Å; H236-S240 PolarHBondContact O-N 3.08Å; H236-S240 PolarHBondContact O-OG 2.78Å
237S90.6Very high92.9Very high81 Ų8147.9 Ų47.957%0.56629%0.286SS*.Hα-helixtrans-62.7-41.9-178.360.30000113L239 S240 T241S237-L239 PolarHBondContact O-N 3.17Å; S237-S240 WeakPolarHBondContact O-CB 3.42Å; S237-S240 PolarHBondContact O-N 3.06Å; S237-T241 PolarHBondContact O-N 3.23Å; S237-T241 PolarHBondContact O-OG1 3.24Å
238S91.3Very high93.1Very high84 Ų8447.7 Ų47.759%0.58729%0.288SS*.Hα-helixtrans-60.9-45179.657.70000112.9H236 T241 R242H236-S238 PolarHBondContact O-N 2.72Å; S238-T241 PolarHBondContact O-N 3.4Å; S238-R242 VanDerWaalsContact O-CB 3.31Å; S238-R242 WeakPolarHBondContact O-CB 3.4Å; S238-R242 PolarHBondContact O-N 3Å
239L91.9Very high93.1Very high9 Ų947.6 Ų47.65%0.04729%0.288CS..Hα-helixtrans-66.8-40.8175-64.1179.9000111.2L185 H236 S237 T241 R242 F243L185-L239 HydrophobicContact CB-CD1 3.67Å; H236-L239 HydrophobicContact CB-CB 4.38Å; H236-L239 HydrophobicContact CB-CD1 4.29Å; S237-L239 PolarHBondContact O-N 3.17Å; L239-T241 VanDerWaalsContact C-N 3.34Å; L239-T241 PolarHBondContact O-N 3.27Å; L239-R242 PolarHBondContact O-N 2.69Å; L239-F243 HydrophobicContact CB-CD2 4.49Å; L239-F243 HydrophobicContact CD2-CE2 4.35Å; L239-F243 VanDerWaalsContact O-CD2 3.23Å; L239-F243 WeakPolarHBondContact O-CD2 3.34Å; L239-F243 PolarHBondContact O-N 3.34Å
240S92.8Very high93.2Very high11 Ų1148.1 Ų48.18%0.07729%0.291CS..Hα-helixtrans-60.1-42.8176.6-59.20000111.6A233 H236 S237 G244 T245A233-S240 WeakPolarHBondContact CA-OG 3.49Å; A233-S240 WeakPolarHBondContact CB-OG 3.29Å; A233-S240 PolarHBondContact O-OG 2.94Å; H236-S240 WeakPolarHBondContact O-CB 3.31Å; H236-S240 PolarHBondContact O-N 3.08Å; H236-S240 PolarHBondContact O-OG 2.78Å; S237-S240 WeakPolarHBondContact O-CB 3.42Å; S237-S240 PolarHBondContact O-N 3.06Å; S240-G244 PolarHBondContact O-N 2.86Å; S240-T245 PolarHBondContact O-N 3.29Å
241T93.1Very high93.2Very high117 Ų11748.2 Ų48.272%0.71829%0.291SS*.Hα-helixtrans-66.1-48.2172.2-540000111.9S237 S238 L239 F243 G244S237-T241 PolarHBondContact O-N 3.23Å; S237-T241 PolarHBondContact O-OG1 3.24Å; S238-T241 PolarHBondContact O-N 3.4Å; L239-T241 VanDerWaalsContact C-N 3.34Å; L239-T241 PolarHBondContact O-N 3.27Å; T241-F243 PolarHBondContact O-N 2.87Å; T241-G244 PolarHBondContact O-N 3.06Å
242R92.9Very high93.2Very high157 Ų15748.5 Ų48.559%0.59229%0.293SS*.Hα-helixtrans-56-34.9-178.5-179.3176.8176.4-170.4-5.5113.1M186 S238 L239M186-R242 PolarHBondContact SD-NH1 3.27Å; M186-R242 PolarHBondContact SD-NH2 2.87Å; M186-R242 VanDerWaalsContact SD-NH2 3.36Å; S238-R242 VanDerWaalsContact O-CB 3.31Å; S238-R242 WeakPolarHBondContact O-CB 3.4Å; S238-R242 PolarHBondContact O-N 3Å; L239-R242 PolarHBondContact O-N 2.69Å
243F92.8Very high93.2Very high22 Ų2248 Ų4810%0.09629%0.289CS..THydrogen-bonded Turntrans-99.64.9179.4-65.6-61000114.6L185 M186 F201 L239 T241 T245 L252 F254 P259 R262L185-F243 HydrophobicContact CD2-CE2 3.97Å; M186-F243 HydrophobicContact CE-CE2 4.1Å; M186-F243 HydrophobicContact CE-CZ 3.52Å; F201-F243 HydrophobicContact CE1-CD2 4.23Å; F201-F243 HydrophobicContact CZ-CB 4.18Å; F201-F243 AromaticContact CZ-CD2 3.67Å; F201-F243 HydrophobicContact CZ-CD2 3.67Å; F201-F243 HydrophobicContact CZ-CE2 4.44Å; F201-F243 HydrophobicContact CZ-CG 4.22Å; L239-F243 HydrophobicContact CB-CD2 4.49Å; L239-F243 HydrophobicContact CD2-CE2 4.35Å; L239-F243 VanDerWaalsContact O-CD2 3.23Å; L239-F243 WeakPolarHBondContact O-CD2 3.34Å; L239-F243 PolarHBondContact O-N 3.34Å; T241-F243 PolarHBondContact O-N 2.87Å; F243-T245 VanDerWaalsContact C-N 3.35Å; F243-T245 PolarHBondContact O-N 3.49Å; F243-L252 HydrophobicContact CB-CD1 3.83Å; F243-L252 HydrophobicContact CG-CD1 4.29Å; F243-F254 HydrophobicContact CD1-CE1 4.15Å; F243-F254 AromaticContact CD1-CZ 3.9Å; F243-F254 HydrophobicContact CD1-CZ 3.9Å; F243-F254 HydrophobicContact CD2-CZ 4.32Å; F243-F254 AromaticContact CE1-CE1 3.42Å; F243-F254 HydrophobicContact CE1-CE1 3.42Å; F243-F254 VanDerWaalsContact CE1-CE1 3.42Å; F243-F254 AromaticContact CE1-CZ 3.57Å; F243-F254 HydrophobicContact CE1-CZ 3.57Å; F243-F254 HydrophobicContact CE2-CE1 4.36Å; F243-F254 AromaticContact CE2-CZ 4Å; F243-F254 HydrophobicContact CE2-CZ 4Å; F243-F254 HydrophobicContact CG-CZ 4.25Å; F243-F254 AromaticContact CZ-CE1 3.52Å; F243-F254 HydrophobicContact CZ-CE1 3.52Å; F243-F254 AromaticContact CZ-CZ 3.58Å; F243-F254 HydrophobicContact CZ-CZ 3.58Å; F243-P259 HydrophobicContact CD1-CB 4.34Å; F243-P259 HydrophobicContact CD1-CG 4.09Å; F243-P259 HydrophobicContact CE1-CB 4.39Å; F243-P259 HydrophobicContact CE1-CG 4.01Å; F243-R262 PolarHBondContact O-NH2 2.6Å
244G92.9Very high93.2Very high34 Ų3447.2 Ų47.235%0.35128%0.284SS..THydrogen-bonded Turntrans62.240.5-179.600000112.9S240 T241 V246 R262S240-G244 PolarHBondContact O-N 2.86Å; T241-G244 PolarHBondContact O-N 3.06Å; G244-V246 PolarHBondContact O-N 3.17Å; G244-R262 PolarHBondContact O-NH1 3.5Å; G244-R262 PolarHBondContact O-NH2 3.42Å
245T93.7Very high93.3Very high16 Ų1646.2 Ų46.210%0.09827%0.272CS..  trans-84.691.3172.5-64.80000108.8F201 S240 F243 V248 N250F201-T245 HydrophobicContact CB-CG2 3.77Å; F201-T245 HydrophobicContact CD1-CG2 3.93Å; F201-T245 HydrophobicContact CG-CG2 3.99Å; S240-T245 PolarHBondContact O-N 3.29Å; F243-T245 VanDerWaalsContact C-N 3.35Å; F243-T245 PolarHBondContact O-N 3.49Å; T245-V248 HydrophobicContact CG2-CG1 4.34Å; T245-N250 HydrophobicContact CG2-CB 4.04Å; T245-N250 PolarHBondContact OG1-ND2 3.07Å
246V91.9Very high93.2Very high143 Ų14341.1 Ų41.187%0.86725%0.249SC*.  trans-82.9-28-179.7-176.20000112.3G244G244-V246 PolarHBondContact O-N 3.17Å
247A92.9Very high93.1Very high71 Ų7141.5 Ų41.559%0.58725%0.254SS*.SBendtrans-143.6161-178.700000110.8N250A247-N250 WeakPolarHBondContact O-CB 3.35Å
248V94.8Very high93.1Very high34 Ų3444.4 Ų44.421%0.20626%0.257CS..SBendtrans-124.7149.2178.5-67.60000111.2F201 T203 C206 A233 T245F201-V248 HydrophobicContact CB-CG1 4.49Å; T203-V248 HydrophobicContact CG2-CG1 4.38Å; T203-V248 HydrophobicContact CG2-CG2 4.02Å; C206-V248 HydrophobicContact CB-CG2 4.21Å; A233-V248 HydrophobicContact CB-CG1 3.76Å; T245-V248 HydrophobicContact CG2-CG1 4.34Å
249P95.2Very high93.2Very high6 Ų643.6 Ų43.64%0.03925%0.249CC..SBendcis-80138.1-1.430.4-34000113.4L200 F201 F208 L212 R268L200-P249 HydrophobicContact CD1-CB 3.81Å; F201-P249 WeakPolarHBondContact O-CA 3.19Å; F208-P249 HydrophobicContact CB-CG 4.41Å; L212-P249 HydrophobicContact CB-CG 4.32Å; L212-P249 HydrophobicContact CD2-CB 3.51Å; L212-P249 HydrophobicContact CD2-CG 3.83Å; P249-R268 PolarHBondContact O-NH2 3.44Å
250N95.6Very high93.2Very high13 Ų1346.5 Ų46.57%0.0726%0.264CS..EExtended strand (participates in β ladder)trans-127.2132.6-179.8-175.6-7.8000109.7F201 T245 A247 R262F201-N250 HydrophobicContact CB-CB 4.34Å; F201-N250 PolarHBondContact N-O 3.13Å; F201-N250 PolarHBondContact O-N 3.02Å; T245-N250 HydrophobicContact CG2-CB 4.04Å; T245-N250 PolarHBondContact OG1-ND2 3.07Å; A247-N250 WeakPolarHBondContact O-CB 3.35Å; N250-R262 PolarHBondContact ND2-NH1 3.04Å
251I96.6Very high93.2Very high2 Ų246.9 Ų46.91%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-120.6124.2-173.9-55.3169000108.2V198 V199 L200 L212 F216 F263 L273V198-I251 HydrophobicContact CG1-CG2 3.5Å; V199-I251 WeakPolarHBondContact O-CA 3.41Å; L200-I251 HydrophobicContact CD1-CG1 3.9Å; L212-I251 HydrophobicContact CD1-CD1 4.3Å; L212-I251 HydrophobicContact CD2-CD1 3.95Å; L212-I251 HydrophobicContact CD2-CG1 4.34Å; F216-I251 HydrophobicContact CD2-CD1 4.45Å; F216-I251 HydrophobicContact CE2-CG2 4.34Å; I251-F263 HydrophobicContact CB-CB 3.87Å; I251-F263 HydrophobicContact CG2-CB 4.47Å; I251-F263 PolarHBondContact O-N 2.98Å; I251-L273 HydrophobicContact CD1-CD2 3.35Å
252L95.4Very high93.3Very high6 Ų646.4 Ų46.43%0.03125%0.252CS..EExtended strand (participates in β ladder)trans-118.7133.3178.8-64-177.4000110.1V199 F201 F243 F254 A261 R262V199-L252 PolarHBondContact N-O 3.07Å; V199-L252 PolarHBondContact O-N 3.11Å; F201-L252 HydrophobicContact CD2-CD1 4.38Å; F201-L252 HydrophobicContact CE2-CD1 3.7Å; F201-L252 HydrophobicContact CE2-CG 4.2Å; F201-L252 HydrophobicContact CZ-CD1 4.23Å; F243-L252 HydrophobicContact CB-CD1 3.83Å; F243-L252 HydrophobicContact CG-CD1 4.29Å; L252-F254 HydrophobicContact CB-CD2 4.07Å; L252-F254 HydrophobicContact CB-CE2 3.55Å; L252-F254 HydrophobicContact CB-CZ 4.38Å; L252-F254 HydrophobicContact CD1-CE2 4.13Å; L252-F254 HydrophobicContact CD1-CZ 4.22Å; L252-F254 HydrophobicContact CG-CE2 4.49Å; L252-A261 WeakPolarHBondContact CA-O 3.47Å; L252-R262 HydrophobicContact CD2-CB 3.65Å; L252-R262 HydrophobicContact CD2-CG 3.77Å
253L94.9Very high93.4Very high0 Ų039.3 Ų39.30%023%0.226CC..EExtended strand (participates in β ladder)trans-90.2127.9167.617768.5000108.8V161 C196 V198 M260 A261 F276 Q280 T281V161-L253 HydrophobicContact CG2-CD2 4.09Å; C196-L253 HydrophobicContact CB-CD1 4.3Å; V198-L253 HydrophobicContact CG2-CD1 3.89Å; L253-M260 PolarHBondContact O-N 3.25Å; L253-A261 HydrophobicContact CB-CB 4.25Å; L253-A261 HydrophobicContact CD2-CB 4.48Å; L253-A261 PolarHBondContact N-O 2.82Å; L253-A261 PolarHBondContact O-N 3.49Å; L253-F276 HydrophobicContact CB-CE1 4.28Å; L253-F276 HydrophobicContact CB-CZ 4.26Å; L253-Q280 HydrophobicContact CD2-CB 3.57Å; L253-Q280 HydrophobicContact CD2-CG 4.35Å; L253-T281 HydrophobicContact CD1-CG2 4.01Å; L253-T281 HydrophobicContact CD2-CG2 3.76Å
254F94Very high93.3Very high0 Ų045.3 Ų45.30%026%0.259CS..EExtended strand (participates in β ladder)trans-112.7149.9176.2-75.3-96.8000111.2L185 L189 C196 S197 V199 F243 L252 K258 P259L185-F254 HydrophobicContact CD2-CZ 4.42Å; L189-F254 HydrophobicContact CD1-CB 4.31Å; L189-F254 HydrophobicContact CD1-CD1 3.5Å; L189-F254 VanDerWaalsContact CD1-CD1 3.5Å; L189-F254 HydrophobicContact CD1-CD2 4.23Å; L189-F254 HydrophobicContact CD1-CE1 3.72Å; L189-F254 HydrophobicContact CD1-CE2 4.41Å; L189-F254 HydrophobicContact CD1-CG 3.77Å; L189-F254 HydrophobicContact CD1-CZ 4.18Å; L189-F254 HydrophobicContact CD2-CB 4.1Å; L189-F254 HydrophobicContact CD2-CG 4.36Å; C196-F254 VanDerWaalsContact CA-O 3.26Å; C196-F254 WeakPolarHBondContact CA-O 3.32Å; S197-F254 PolarHBondContact N-O 3.43Å; S197-F254 PolarHBondContact O-N 3.11Å; V199-F254 HydrophobicContact CB-CD2 3.95Å; V199-F254 HydrophobicContact CB-CE2 3.8Å; V199-F254 HydrophobicContact CG1-CE2 4.49Å; V199-F254 HydrophobicContact CG2-CD2 3.44Å; V199-F254 VanDerWaalsContact CG2-CD2 3.44Å; V199-F254 HydrophobicContact CG2-CE2 3.66Å; V199-F254 HydrophobicContact CG2-CG 4.37Å; F243-F254 HydrophobicContact CD1-CE1 4.15Å; F243-F254 AromaticContact CD1-CZ 3.9Å; F243-F254 HydrophobicContact CD1-CZ 3.9Å; F243-F254 HydrophobicContact CD2-CZ 4.32Å; F243-F254 AromaticContact CE1-CE1 3.42Å; F243-F254 HydrophobicContact CE1-CE1 3.42Å; F243-F254 VanDerWaalsContact CE1-CE1 3.42Å; F243-F254 AromaticContact CE1-CZ 3.57Å; F243-F254 HydrophobicContact CE1-CZ 3.57Å; F243-F254 HydrophobicContact CE2-CE1 4.36Å; F243-F254 AromaticContact CE2-CZ 4Å; F243-F254 HydrophobicContact CE2-CZ 4Å; F243-F254 HydrophobicContact CG-CZ 4.25Å; F243-F254 AromaticContact CZ-CE1 3.52Å; F243-F254 HydrophobicContact CZ-CE1 3.52Å; F243-F254 AromaticContact CZ-CZ 3.58Å; F243-F254 HydrophobicContact CZ-CZ 3.58Å; L252-F254 HydrophobicContact CB-CD2 4.07Å; L252-F254 HydrophobicContact CB-CE2 3.55Å; L252-F254 HydrophobicContact CB-CZ 4.38Å; L252-F254 HydrophobicContact CD1-CE2 4.13Å; L252-F254 HydrophobicContact CD1-CZ 4.22Å; L252-F254 HydrophobicContact CG-CE2 4.49Å; F254-K258 VanDerWaalsContact CA-O 3.3Å; F254-K258 WeakPolarHBondContact CA-O 3.11Å; F254-P259 HydrophobicContact CD1-CB 4.12Å; F254-P259 HydrophobicContact CE1-CB 3.72Å; F254-P259 HydrophobicContact CE1-CG 4.26Å; F254-P259 HydrophobicContact CZ-CB 4.04Å
255Q92.3Very high93.2Very high40 Ų4048 Ų4819%0.18726%0.262CS..EExtended strand (participates in β ladder)trans-122.3109.5166.8-175.5-164.725.700106.5V161 N162 A257 K258 M260V161-Q255 HydrophobicContact CG1-CB 3.81Å; V161-Q255 HydrophobicContact CG1-CG 3.95Å; N162-Q255 PolarHBondContact O-NE2 2.95Å; Q255-A257 PolarHBondContact O-N 3.48Å; Q255-K258 PolarHBondContact N-O 3.26Å; Q255-K258 PolarHBondContact O-N 3.42Å; Q255-M260 HydrophobicContact CB-CG 3.63Å; Q255-M260 HydrophobicContact CB-SD 4.22Å
256G89.9Confident92.8Very high2 Ų252.7 Ų52.72%0.02129%0.291CS..THydrogen-bonded Turntrans51-129-160.800000110.8N190 S193 E195 K258N190-G256 VanDerWaalsContact O-CA 3.3Å; N190-G256 WeakPolarHBondContact O-CA 3.47Å; S193-G256 WeakPolarHBondContact O-CA 3.41Å; S193-G256 PolarHBondContact O-N 3.32Å; E195-G256 PolarHBondContact O-N 2.96Å; G256-K258 PolarHBondContact O-N 2.88Å
257A89.8Confident92.7Very high23 Ų2350.8 Ų50.819%0.1928%0.276CS..THydrogen-bonded Turntrans-82.31.1176.100000115.7A191 Q255A191-A257 HydrophobicContact CB-CB 3.83Å; Q255-A257 PolarHBondContact O-N 3.48Å
258K91Very high92.6Very high143 Ų14351.2 Ų51.262%0.62226%0.263SS*.EExtended strand (participates in β ladder)trans-99.2124.8-173.4-62.3176.1-177.3166.30111.9F254 Q255 G256 M260F254-K258 VanDerWaalsContact CA-O 3.3Å; F254-K258 WeakPolarHBondContact CA-O 3.11Å; Q255-K258 PolarHBondContact N-O 3.26Å; Q255-K258 PolarHBondContact O-N 3.42Å; G256-K258 PolarHBondContact O-N 2.88Å; K258-M260 HydrophobicContact CB-CE 3.61Å; K258-M260 PolarHBondContact O-N 3.38Å
259P92.1Very high92.5Very high66 Ų6652.2 Ų52.243%0.42927%0.269SS..EExtended strand (participates in β ladder)trans-74.1121.8174.129.9-33000110.2F243 F254F243-P259 HydrophobicContact CD1-CB 4.34Å; F243-P259 HydrophobicContact CD1-CG 4.09Å; F243-P259 HydrophobicContact CE1-CB 4.39Å; F243-P259 HydrophobicContact CE1-CG 4.01Å; F254-P259 HydrophobicContact CD1-CB 4.12Å; F254-P259 HydrophobicContact CE1-CB 3.72Å; F254-P259 HydrophobicContact CE1-CG 4.26Å; F254-P259 HydrophobicContact CZ-CB 4.04Å
260M92.4Very high92.3Very high70 Ų7053.2 Ų53.235%0.34527%0.274SS..EExtended strand (participates in β ladder)trans-104.6-36.6-173.7-64.2-68.787.300113.7V161 L253 Q255 K258V161-M260 HydrophobicContact CG1-CB 4.4Å; V161-M260 HydrophobicContact CG1-CG 3.86Å; V161-M260 HydrophobicContact CG1-SD 4.4Å; V161-M260 HydrophobicContact CG2-CB 3.63Å; V161-M260 HydrophobicContact CG2-CG 3.98Å; L253-M260 PolarHBondContact O-N 3.25Å; Q255-M260 HydrophobicContact CB-CG 3.63Å; Q255-M260 HydrophobicContact CB-SD 4.22Å; K258-M260 HydrophobicContact CB-CE 3.61Å; K258-M260 PolarHBondContact O-N 3.38Å
261A93.6Very high92.2Very high19 Ų1959.4 Ų59.416%0.15730%0.302CS..EExtended strand (participates in β ladder)trans-151.8155.4-178.200000112.4L252 L253 F276 Q280L252-A261 WeakPolarHBondContact CA-O 3.47Å; L253-A261 HydrophobicContact CB-CB 4.25Å; L253-A261 HydrophobicContact CD2-CB 4.48Å; L253-A261 PolarHBondContact N-O 2.82Å; L253-A261 PolarHBondContact O-N 3.49Å; A261-F276 HydrophobicContact CB-CE2 4.12Å; A261-F276 HydrophobicContact CB-CZ 3.93Å; A261-Q280 HydrophobicContact CB-CG 4.25Å; A261-Q280 VanDerWaalsContact CB-NE2 3.32Å
262R94.8Very high92Very high107 Ų10762.1 Ų62.140%0.40432%0.315SS..EExtended strand (participates in β ladder)trans-118.2137.4173.7-179173.8-62.9-154.5-3.8109.5F243 G244 N250 L252F243-R262 PolarHBondContact O-NH2 2.6Å; G244-R262 PolarHBondContact O-NH1 3.5Å; G244-R262 PolarHBondContact O-NH2 3.42Å; N250-R262 PolarHBondContact ND2-NH1 3.04Å; L252-R262 HydrophobicContact CD2-CB 3.65Å; L252-R262 HydrophobicContact CD2-CG 3.77Å
263F94.8Very high91.9Very high8 Ų861.9 Ų61.94%0.03531%0.314CS..  trans-72.1125170.7-172.7-97.4000110.2I251 H265 D267 R268 M272 L273 F276I251-F263 HydrophobicContact CB-CB 3.87Å; I251-F263 HydrophobicContact CG2-CB 4.47Å; I251-F263 PolarHBondContact O-N 2.98Å; F263-H265 HydrophobicContact CE1-CB 3.82Å; F263-H265 HydrophobicContact CE2-CB 4.33Å; F263-H265 AromaticContact CE2-CD2 3.83Å; F263-H265 HydrophobicContact CZ-CB 3.65Å; F263-D267 WeakPolarHBondContact CZ-O 3.31Å; F263-R268 HydrophobicContact CD1-CG 4.47Å; F263-R268 HydrophobicContact CE1-CG 3.83Å; F263-M272 HydrophobicContact CE2-CB 4.42Å; F263-M272 HydrophobicContact CZ-CB 4.11Å; F263-L273 HydrophobicContact CD1-CD2 4.44Å; F263-L273 HydrophobicContact CD2-CD2 3.99Å; F263-L273 HydrophobicContact CE1-CD2 4.26Å; F263-L273 HydrophobicContact CE2-CD2 3.79Å; F263-L273 HydrophobicContact CG-CD2 4.3Å; F263-L273 HydrophobicContact CZ-CD2 3.91Å; F263-F276 HydrophobicContact CB-CE1 4.44Å; F263-F276 HydrophobicContact CB-CZ 4.41Å; F263-F276 HydrophobicContact CD2-CB 3.78Å; F263-F276 AromaticContact CD2-CD1 3.96Å; F263-F276 HydrophobicContact CD2-CD1 3.96Å; F263-F276 HydrophobicContact CD2-CD2 4.04Å; F263-F276 AromaticContact CD2-CG 3.67Å; F263-F276 HydrophobicContact CD2-CG 3.67Å; F263-F276 HydrophobicContact CE2-CB 3.93Å; F263-F276 HydrophobicContact CE2-CG 4.33Å
264N91.4Very high91.8Very high148 Ų14862.4 Ų62.479%0.79132%0.317SS*.  trans-123.69.6-173.2-16239000114.4
265H89.4Confident91.7Very high91 Ų9164.9 Ų64.942%0.42134%0.335SS..  trans-80.9150.5176.4-61.8-80000111.5F263 R268 M272F263-H265 HydrophobicContact CE1-CB 3.82Å; F263-H265 HydrophobicContact CE2-CB 4.33Å; F263-H265 AromaticContact CE2-CD2 3.83Å; F263-H265 HydrophobicContact CZ-CB 3.65Å; H265-R268 PolarHBondContact O-NH1 3.43Å; H265-M272 HydrophobicContact CB-CE 4.12Å
266T86.9Confident91.8Very high114 Ų11464 Ų6470%0.69933%0.33SS*.SBendtrans-60.5-55169.440.80000109.9R268T266-R268 PolarHBondContact O-NH1 3.28Å
267D89.1Confident91.9Very high103 Ų10364 Ų6455%0.55133%0.329SS*.  trans-81.6120.8-172.4-55-54000111F263F263-D267 WeakPolarHBondContact CZ-O 3.31Å
268R90.8Very high92Very high81 Ų8164.7 Ų64.731%0.30633%0.332SS..  trans-106.137.6-171.9-79.7170.2172.373.1-7.5111.6L212 H215 P249 F263 H265 T266L212-R268 HydrophobicContact CD1-CB 3.96Å; H215-R268 PolarHBondContact CD2-O 2.85Å; H215-R268 VanDerWaalsContact CD2-O 3.28Å; P249-R268 PolarHBondContact O-NH2 3.44Å; F263-R268 HydrophobicContact CD1-CG 4.47Å; F263-R268 HydrophobicContact CE1-CG 3.83Å; H265-R268 PolarHBondContact O-NH1 3.43Å; T266-R268 PolarHBondContact O-NH1 3.28Å
269T92.6Very high92.1Very high54 Ų5463.1 Ų63.133%0.33133%0.33SS..  trans-75.8157.3178.1630000111.1E271 M272 L273T269-E271 PolarHBondContact O-N 3.38Å; T269-M272 PolarHBondContact O-N 2.89Å; T269-M272 WeakPolarHBondContact OG1-CG 3.48Å; T269-M272 PolarHBondContact OG1-N 2.87Å; T269-L273 VanDerWaalsContact O-CG 3.29Å; T269-L273 WeakPolarHBondContact O-CG 3.36Å; T269-L273 PolarHBondContact O-N 3.35Å
270L92.1Very high92Very high28 Ų2861.2 Ų61.215%0.14732%0.316CS..Hα-helixtrans-52.6-38.4176178.465.1000112.5H215 A218 L219 V222 L273 T274 V291H215-L270 HydrophobicContact CB-CB 4.42Å; A218-L270 HydrophobicContact CB-CD1 4.01Å; A218-L270 HydrophobicContact CB-CD2 4.36Å; L219-L270 HydrophobicContact CD2-CD1 3.7Å; L219-L270 HydrophobicContact CG-CD1 4.16Å; V222-L270 HydrophobicContact CG2-CD1 4.28Å; L270-L273 PolarHBondContact O-N 3.15Å; L270-T274 VanDerWaalsContact O-CB 3.31Å; L270-T274 WeakPolarHBondContact O-CB 3.43Å; L270-T274 PolarHBondContact O-N 3.1Å; L270-T274 PolarHBondContact O-OG1 3.48Å; L270-V291 HydrophobicContact CD2-CB 4.25Å; L270-V291 HydrophobicContact CD2-CG1 4.31Å; L270-V291 HydrophobicContact CD2-CG2 3.89Å
271E91.5Very high91.9Very high143 Ų14358.3 Ų58.367%0.66830%0.302SS*.Hα-helixtrans-66.9-44.8-179.3-63.6179.1178.400112.6T269 L273 T274 S275T269-E271 PolarHBondContact O-N 3.38Å; E271-L273 VanDerWaalsContact C-N 3.34Å; E271-T274 WeakPolarHBondContact O-CB 2.96Å; E271-T274 PolarHBondContact O-N 3.12Å; E271-S275 PolarHBondContact O-N 3.02Å; E271-S275 PolarHBondContact O-OG 3.42Å
272M93.4Very high91.6Very high58 Ų5858.3 Ų58.329%0.28630%0.304SS..Hα-helixtrans-67.8-35177.5-68.8-58.2-65.500112.1F263 H265 T269 S275 F276F263-M272 HydrophobicContact CE2-CB 4.42Å; F263-M272 HydrophobicContact CZ-CB 4.11Å; H265-M272 HydrophobicContact CB-CE 4.12Å; T269-M272 PolarHBondContact O-N 2.89Å; T269-M272 WeakPolarHBondContact OG1-CG 3.48Å; T269-M272 PolarHBondContact OG1-N 2.87Å; M272-S275 PolarHBondContact O-OG 3.49Å; M272-S275 VanDerWaalsContact O-OG 3.11Å; M272-F276 WeakPolarHBondContact O-CB 3.49Å; M272-F276 PolarHBondContact O-N 3.19Å
273L93.9Very high91.2Very high2 Ų253.9 Ų53.91%0.0129%0.288CS..Hα-helixtrans-68.4-40.4173.4-63.9168.7000111.2L212 H215 L219 I251 F263 T269 L270 E271 I277L212-L273 HydrophobicContact CD1-CD1 3.71Å; H215-L273 HydrophobicContact CB-CD1 4.12Å; L219-L273 HydrophobicContact CD1-CB 4.06Å; L219-L273 HydrophobicContact CD1-CD1 4.12Å; L219-L273 HydrophobicContact CD2-CB 3.88Å; L219-L273 HydrophobicContact CG-CB 4.49Å; I251-L273 HydrophobicContact CD1-CD2 3.35Å; F263-L273 HydrophobicContact CD1-CD2 4.44Å; F263-L273 HydrophobicContact CD2-CD2 3.99Å; F263-L273 HydrophobicContact CE1-CD2 4.26Å; F263-L273 HydrophobicContact CE2-CD2 3.79Å; F263-L273 HydrophobicContact CG-CD2 4.3Å; F263-L273 HydrophobicContact CZ-CD2 3.91Å; T269-L273 VanDerWaalsContact O-CG 3.29Å; T269-L273 WeakPolarHBondContact O-CG 3.36Å; T269-L273 PolarHBondContact O-N 3.35Å; L270-L273 PolarHBondContact O-N 3.15Å; E271-L273 VanDerWaalsContact C-N 3.34Å; L273-I277 WeakPolarHBondContact O-CD1 3.48Å; L273-I277 VanDerWaalsContact O-CG1 3.26Å; L273-I277 WeakPolarHBondContact O-CG1 3.14Å; L273-I277 PolarHBondContact O-N 3.29Å
274T92.8Very high90.6Very high10 Ų1060.5 Ų60.56%0.06132%0.319CS..Hα-helixtrans-61.8-50.3174.9-59.20000110.7V222 F223 L270 E271 F276 I277 T278 A285V222-T274 HydrophobicContact CG1-CG2 4.16Å; F223-T274 HydrophobicContact CE2-CG2 3.91Å; F223-T274 HydrophobicContact CZ-CG2 3.68Å; L270-T274 VanDerWaalsContact O-CB 3.31Å; L270-T274 WeakPolarHBondContact O-CB 3.43Å; L270-T274 PolarHBondContact O-N 3.1Å; L270-T274 PolarHBondContact O-OG1 3.48Å; E271-T274 WeakPolarHBondContact O-CB 2.96Å; E271-T274 PolarHBondContact O-N 3.12Å; T274-F276 PolarHBondContact O-N 3.03Å; T274-I277 PolarHBondContact O-N 3Å; T274-I277 VanDerWaalsContact O-N 3.17Å; T274-T278 HydrophobicContact CG2-CG2 4.35Å; T274-T278 WeakPolarHBondContact O-CG2 3.37Å; T274-T278 PolarHBondContact O-N 3.02Å; T274-T278 PolarHBondContact O-OG1 3.24Å; T274-A285 HydrophobicContact CG2-CB 4.23Å
275S92.2Very high90.1Very high52 Ų5254.5 Ų54.536%0.36429%0.29SS..Hα-helixtrans-66.5-33.9-179.266.90000113.2E271 M272 T278 N279E271-S275 PolarHBondContact O-N 3.02Å; E271-S275 PolarHBondContact O-OG 3.42Å; M272-S275 PolarHBondContact O-OG 3.49Å; M272-S275 VanDerWaalsContact O-OG 3.11Å; S275-T278 PolarHBondContact O-OG1 3.07Å; S275-N279 WeakPolarHBondContact O-CB 3.37Å; S275-N279 PolarHBondContact O-N 3.21Å
276F93.4Very high89.2Confident21 Ų2151.1 Ų51.19%0.09228%0.279CS..Hα-helixtrans-60.6-47.7169.7168.4-104.3000111.6L253 A261 F263 M272 T274 Q280L253-F276 HydrophobicContact CB-CE1 4.28Å; L253-F276 HydrophobicContact CB-CZ 4.26Å; A261-F276 HydrophobicContact CB-CE2 4.12Å; A261-F276 HydrophobicContact CB-CZ 3.93Å; F263-F276 HydrophobicContact CB-CE1 4.44Å; F263-F276 HydrophobicContact CB-CZ 4.41Å; F263-F276 HydrophobicContact CD2-CB 3.78Å; F263-F276 AromaticContact CD2-CD1 3.96Å; F263-F276 HydrophobicContact CD2-CD1 3.96Å; F263-F276 HydrophobicContact CD2-CD2 4.04Å; F263-F276 AromaticContact CD2-CG 3.67Å; F263-F276 HydrophobicContact CD2-CG 3.67Å; F263-F276 HydrophobicContact CE2-CB 3.93Å; F263-F276 HydrophobicContact CE2-CG 4.33Å; M272-F276 WeakPolarHBondContact O-CB 3.49Å; M272-F276 PolarHBondContact O-N 3.19Å; T274-F276 PolarHBondContact O-N 3.03Å; F276-Q280 HydrophobicContact CD2-CG 4Å; F276-Q280 HydrophobicContact CE2-CG 3.81Å; F276-Q280 HydrophobicContact CZ-CG 4.25Å; F276-Q280 WeakPolarHBondContact O-CB 3.45Å; F276-Q280 WeakPolarHBondContact O-CG 3.46Å; F276-Q280 PolarHBondContact O-N 3.02Å
277I92.6Very high87.8Confident2 Ų252 Ų521%0.0129%0.286CS..Hα-helixtrans-64.7-48.4-179.5-70.2166.7000111.1V198 L219 F223 M226 F228 L273 T274 N279 Q280 T281V198-I277 HydrophobicContact CG2-CD1 4.09Å; V198-I277 HydrophobicContact CG2-CG1 4.19Å; L219-I277 HydrophobicContact CD1-CD1 4.31Å; L219-I277 HydrophobicContact CD2-CD1 4.07Å; F223-I277 HydrophobicContact CD1-CG2 4.01Å; F223-I277 HydrophobicContact CD2-CD1 4.03Å; F223-I277 HydrophobicContact CD2-CG2 4.11Å; F223-I277 HydrophobicContact CE1-CG2 3.74Å; F223-I277 HydrophobicContact CE2-CB 4.01Å; F223-I277 HydrophobicContact CE2-CD1 3.92Å; F223-I277 HydrophobicContact CE2-CG2 3.85Å; F223-I277 HydrophobicContact CG-CG2 4.17Å; F223-I277 HydrophobicContact CZ-CB 3.93Å; F223-I277 HydrophobicContact CZ-CG2 3.63Å; M226-I277 HydrophobicContact CE-CG2 3.26Å; M226-I277 HydrophobicContact SD-CG2 4.06Å; F228-I277 HydrophobicContact CE1-CD1 3.84Å; F228-I277 HydrophobicContact CZ-CD1 4.05Å; L273-I277 WeakPolarHBondContact O-CD1 3.48Å; L273-I277 VanDerWaalsContact O-CG1 3.26Å; L273-I277 WeakPolarHBondContact O-CG1 3.14Å; L273-I277 PolarHBondContact O-N 3.29Å; T274-I277 PolarHBondContact O-N 3Å; T274-I277 VanDerWaalsContact O-N 3.17Å; I277-N279 PolarHBondContact O-N 3.05Å; I277-Q280 PolarHBondContact O-N 3.03Å; I277-T281 WeakPolarHBondContact O-CB 3.41Å; I277-T281 PolarHBondContact O-N 3.44Å; I277-T281 PolarHBondContact O-OG1 2.89Å
278T91.8Very high86.3Confident39 Ų3953.3 Ų53.324%0.23929%0.293CS..Hα-helixtrans-63.2-41.6-179.864.10000111.9F223 T274 S275 G282 F283F223-T278 HydrophobicContact CE1-CG2 3.96Å; F223-T278 HydrophobicContact CZ-CG2 3.8Å; T274-T278 HydrophobicContact CG2-CG2 4.35Å; T274-T278 WeakPolarHBondContact O-CG2 3.37Å; T274-T278 PolarHBondContact O-N 3.02Å; T274-T278 PolarHBondContact O-OG1 3.24Å; S275-T278 PolarHBondContact O-OG1 3.07Å; T278-G282 VanDerWaalsContact O-CA 3.31Å; T278-G282 WeakPolarHBondContact O-CA 3.34Å; T278-G282 PolarHBondContact O-N 3.48Å; T278-F283 VanDerWaalsContact CG2-O 3.26Å; T278-F283 WeakPolarHBondContact CG2-O 3.44Å
279N92Very high85Confident110 Ų11057.2 Ų57.259%0.58831%0.308SS*.Hα-helixtrans-64-42.9178.1-171.8-25.8000111.9S275 I277S275-N279 WeakPolarHBondContact O-CB 3.37Å; S275-N279 PolarHBondContact O-N 3.21Å; I277-N279 PolarHBondContact O-N 3.05Å
280Q91.6Very high84.1Confident26 Ų2660.8 Ų60.812%0.12133%0.325CS..Hα-helixtrans-77.6-35.6-176.4-70.2-63125.200114.2K160 V161 L253 A261 F276 I277K160-Q280 PolarHBondContact N-O 3.49Å; V161-Q280 PolarHBondContact N-O 3.26Å; V161-Q280 VanDerWaalsContact N-O 3.1Å; L253-Q280 HydrophobicContact CD2-CB 3.57Å; L253-Q280 HydrophobicContact CD2-CG 4.35Å; A261-Q280 HydrophobicContact CB-CG 4.25Å; A261-Q280 VanDerWaalsContact CB-NE2 3.32Å; F276-Q280 HydrophobicContact CD2-CG 4Å; F276-Q280 HydrophobicContact CE2-CG 3.81Å; F276-Q280 HydrophobicContact CZ-CG 4.25Å; F276-Q280 WeakPolarHBondContact O-CB 3.45Å; F276-Q280 WeakPolarHBondContact O-CG 3.46Å; F276-Q280 PolarHBondContact O-N 3.02Å; I277-Q280 PolarHBondContact O-N 3.03Å
281T89.2Confident83.6Confident8 Ų860 Ų605%0.04932%0.322CS..Hα-helixtrans-109.7-18.3-170.965.90000114.6C163 M226 L253 I277 F283C163-T281 VanDerWaalsContact SG-CG2 3.55Å; M226-T281 HydrophobicContact SD-CG2 4.18Å; L253-T281 HydrophobicContact CD1-CG2 4.01Å; L253-T281 HydrophobicContact CD2-CG2 3.76Å; I277-T281 WeakPolarHBondContact O-CB 3.41Å; I277-T281 PolarHBondContact O-N 3.44Å; I277-T281 PolarHBondContact O-OG1 2.89Å; T281-F283 HydrophobicContact CG2-CD2 4.4Å; T281-F283 PolarHBondContact O-N 2.97Å; T281-F283 WeakPolarHBondContact OG1-CD2 3.41Å; T281-F283 PolarHBondContact OG1-N 3.4Å
282G86.5Confident83.3Confident20 Ų2056.8 Ų56.821%0.20631%0.312CS..  trans69.57.6-171.600000115Y159 T278Y159-G282 VanDerWaalsContact CE1-CA 3.41Å; Y159-G282 VanDerWaalsContact CG-CA 3.47Å; T278-G282 VanDerWaalsContact O-CA 3.31Å; T278-G282 WeakPolarHBondContact O-CA 3.34Å; T278-G282 PolarHBondContact O-N 3.48Å
283F86.6Confident82.9Confident14 Ų1459.2 Ų59.26%0.06132%0.322CS..PPolyproline II helixtrans-77.5124.5173.4-65.5-39.4000110.9C163 K165 F223 M226 T278 T281C163-F283 HydrophobicContact CB-CD2 4.35Å; C163-F283 HydrophobicContact CB-CE1 4.23Å; C163-F283 HydrophobicContact CB-CE2 3.36Å; C163-F283 HydrophobicContact CB-CZ 3.3Å; C163-F283 VanDerWaalsContact O-CZ 3.26Å; C163-F283 WeakPolarHBondContact O-CZ 3.35Å; K165-F283 HydrophobicContact CD-CE1 4.21Å; K165-F283 HydrophobicContact CG-CD1 4.12Å; K165-F283 HydrophobicContact CG-CE1 3.35Å; K165-F283 HydrophobicContact CG-CZ 3.82Å; F223-F283 HydrophobicContact CD1-CB 4.47Å; M226-F283 HydrophobicContact CE-CB 4.15Å; M226-F283 HydrophobicContact CE-CD2 3.46Å; M226-F283 VanDerWaalsContact CE-CD2 3.46Å; M226-F283 HydrophobicContact CE-CE2 4.27Å; M226-F283 HydrophobicContact CE-CG 4.27Å; M226-F283 HydrophobicContact CG-CD2 3.89Å; M226-F283 HydrophobicContact CG-CE2 3.73Å; M226-F283 HydrophobicContact SD-CD2 3.54Å; M226-F283 VanDerWaalsContact SD-CD2 3.54Å; M226-F283 HydrophobicContact SD-CE2 3.82Å; T278-F283 VanDerWaalsContact CG2-O 3.26Å; T278-F283 WeakPolarHBondContact CG2-O 3.44Å; T281-F283 HydrophobicContact CG2-CD2 4.4Å; T281-F283 PolarHBondContact O-N 2.97Å; T281-F283 WeakPolarHBondContact OG1-CD2 3.41Å; T281-F283 PolarHBondContact OG1-N 3.4Å
284E82.7Confident82.5Confident147 Ų14761.4 Ų61.469%0.68735%0.346SS*.PPolyproline II helixtrans-69.2142.2169.4-67-57.8147.800110.9
285A81.2Confident82.1Confident22 Ų2262.5 Ų62.518%0.18235%0.351CS..PPolyproline II helixtrans-62.5140.2170.200000110V222 F223 T274V222-A285 HydrophobicContact CG1-CB 3.61Å; F223-A285 HydrophobicContact CE1-CB 4.32Å; F223-A285 HydrophobicContact CZ-CB 4.36Å; T274-A285 HydrophobicContact CG2-CB 4.23Å
286G69.5Low82Confident19 Ų1963.5 Ų63.520%0.19635%0.347CS..PPolyproline II helixtrans-55.9143.5-17800000112.7V222 N288 R289V222-G286 PolarHBondContact O-N 2.8Å; G286-N288 PolarHBondContact O-N 3.3Å; G286-N288 VanDerWaalsContact O-N 3.13Å; G286-R289 PolarHBondContact O-N 3.42Å
287P58.3Low81.6Confident132 Ų13270.5 Ų70.586%0.85738%0.377SS*.SBendtrans-61.7-26.5-173.623.2-33.6000113.3R289P287-R289 VanDerWaalsContact C-N 3.27Å; P287-R289 PolarHBondContact O-N 3.02Å; P287-R289 VanDerWaalsContact O-N 3.13Å
288N57.7Low81.3Confident131 Ų13171.8 Ų71.870%0.70139%0.392SS*.  trans-86.667.5171.1-67.8-27.2000110.4G286 D290G286-N288 PolarHBondContact O-N 3.3Å; G286-N288 VanDerWaalsContact O-N 3.13Å; N288-D290 PolarHBondContact O-N 2.95Å; N288-D290 VanDerWaalsContact O-N 3.11Å
289R63.7Low81.2Confident164 Ų16473.6 Ų73.662%0.61940%0.404SS*.  trans-71.42.6-175.9-156.4175.5174.6-159.8-4.5114.3G286 P287 V291G286-R289 PolarHBondContact O-N 3.42Å; P287-R289 VanDerWaalsContact C-N 3.27Å; P287-R289 PolarHBondContact O-N 3.02Å; P287-R289 VanDerWaalsContact O-N 3.13Å; R289-V291 PolarHBondContact O-N 3.33Å; R289-V291 VanDerWaalsContact O-N 3.07Å
290D73.4Confident81.3Confident128 Ų12868.8 Ų68.868%0.68438%0.378SS*.  trans-79.289.1-176.6-163.214.3000111.3N288 T292N288-D290 PolarHBondContact O-N 2.95Å; N288-D290 VanDerWaalsContact O-N 3.11Å; D290-T292 PolarHBondContact O-N 3.25Å
291V82.1Confident81.2Confident12 Ų1270.9 Ų70.97%0.07340%0.396CS..  trans-74.7107.5175.1171.50000109A218 V222 L270 R289 D295 R296A218-V291 HydrophobicContact CB-CG1 3.44Å; A218-V291 VanDerWaalsContact CB-CG1 3.44Å; A218-V291 HydrophobicContact CB-CG2 4.33Å; V222-V291 HydrophobicContact CG2-CG2 3.72Å; L270-V291 HydrophobicContact CD2-CB 4.25Å; L270-V291 HydrophobicContact CD2-CG1 4.31Å; L270-V291 HydrophobicContact CD2-CG2 3.89Å; R289-V291 PolarHBondContact O-N 3.33Å; R289-V291 VanDerWaalsContact O-N 3.07Å; V291-D295 HydrophobicContact CG1-CB 4.07Å; V291-R296 HydrophobicContact CG1-CG 4.26Å; V291-R296 PolarHBondContact O-NH2 3.39Å
292T85.4Confident81.3Confident75 Ų7574.1 Ų74.146%0.4642%0.419SS..  trans-72.8154.8178.7-51.60000109.8D290 G294 D295D290-T292 PolarHBondContact O-N 3.25Å; T292-G294 PolarHBondContact O-N 2.97Å; T292-G294 VanDerWaalsContact O-N 3.12Å; T292-D295 WeakPolarHBondContact CA-OD2 3.3Å; T292-D295 WeakPolarHBondContact CB-OD2 3.47Å; T292-D295 PolarHBondContact N-OD2 3.38Å; T292-D295 WeakPolarHBondContact O-CB 3.19Å; T292-D295 PolarHBondContact O-N 3.16Å
293E85.1Confident81.6Confident109 Ų10979 Ų7951%0.50944%0.439SS..Hα-helixtrans-61-22.4175.8-167.955.2-153.200113.1R296E293-R296 PolarHBondContact O-N 2.87Å; E293-R296 WeakPolarHBondContact OE2-CD 3.2Å; E293-R296 IonicContact OE2-CZ 3.02Å; E293-R296 IonicContact OE2-NE 2.79Å; E293-R296 IonicContact OE2-NH1 3.59Å; E293-R296 PolarHBondContact OE2-NH1 3.33Å
294G83.9Confident81.9Confident48 Ų4880.5 Ų80.550%0.49545%0.45SS..Hα-helixtrans-63.9-39.9168.900000113.5T292 R296 K297T292-G294 PolarHBondContact O-N 2.97Å; T292-G294 VanDerWaalsContact O-N 3.12Å; G294-R296 PolarHBondContact O-N 3.45Å; G294-K297 PolarHBondContact O-N 3.22Å
295D85.8Confident82.2Confident34 Ų3477.6 Ų77.618%0.18244%0.442CS..Hα-helixtrans-67.4-24.5179.7-56-68.4000111.7N217 R221 V291 T292N217-D295 CarbonylContact C-O 3.55Å; N217-D295 WeakPolarHBondContact CB-O 3.39Å; R221-D295 IonicContact CZ-OD1 3.93Å; R221-D295 IonicContact CZ-OD2 3.99Å; R221-D295 IonicContact NH1-OD1 2.89Å; R221-D295 PolarHBondContact NH1-OD1 3.47Å; R221-D295 IonicContact NH1-OD2 3.32Å; R221-D295 PolarHBondContact NH1-OD2 3.22Å; V291-D295 HydrophobicContact CG1-CB 4.07Å; T292-D295 WeakPolarHBondContact CA-OD2 3.3Å; T292-D295 WeakPolarHBondContact CB-OD2 3.47Å; T292-D295 PolarHBondContact N-OD2 3.38Å; T292-D295 WeakPolarHBondContact O-CB 3.19Å; T292-D295 PolarHBondContact O-N 3.16Å
296R89.3Confident82.5Confident72 Ų7286.5 Ų86.527%0.27247%0.471SS..Hα-helixtrans-73.8-29.4173.4-60.5-168.2-177.884.417.4112.4P214 N217 V291 E293 G294 G298P214-R296 HydrophobicContact CB-CB 4.02Å; N217-R296 WeakPolarHBondContact CB-O 3.3Å; N217-R296 PolarHBondContact ND2-O 2.86Å; V291-R296 HydrophobicContact CG1-CG 4.26Å; V291-R296 PolarHBondContact O-NH2 3.39Å; E293-R296 PolarHBondContact O-N 2.87Å; E293-R296 WeakPolarHBondContact OE2-CD 3.2Å; E293-R296 IonicContact OE2-CZ 3.02Å; E293-R296 IonicContact OE2-NE 2.79Å; E293-R296 IonicContact OE2-NH1 3.59Å; E293-R296 PolarHBondContact OE2-NH1 3.33Å; G294-R296 PolarHBondContact O-N 3.45Å; R296-G298 PolarHBondContact O-N 3.2Å
297K85.6Confident83.2Confident168 Ų16888.9 Ų88.973%0.7350%0.495SS*.SBendtrans-82.862.1175.6-64.1179.6-177.4-178.40110.8G294G294-K297 PolarHBondContact O-N 3.22Å
298G85.6Confident84.6Confident30 Ų3087.7 Ų87.731%0.30948%0.481SS..SBendtrans-91.6-170.5174.700000113.6N217 R296 L300N217-G298 VanDerWaalsContact CG-CA 3.43Å; N217-G298 WeakPolarHBondContact ND2-CA 3.45Å; N217-G298 PolarHBondContact ND2-N 3.33Å; R296-G298 PolarHBondContact O-N 3.2Å; G298-L300 PolarHBondContact O-N 2.96Å
299P90.4Very high86.1Confident76 Ų7686 Ų8649%0.49447%0.472SS..SBendtrans-71.1-13.9-174.327.9-33.7000114.3V176 V178V176-P299 HydrophobicContact CB-CG 4.29Å; V176-P299 VanDerWaalsContact O-CG 3.26Å; V176-P299 WeakPolarHBondContact O-CG 3.45Å; V178-P299 HydrophobicContact CG2-CB 3.94Å; V178-P299 HydrophobicContact CG2-CG 3.99Å
300L93.3Very high87.4Confident9 Ų985.9 Ų85.95%0.04747%0.471CS..SBendtrans-83.5120.8170.4-61.2173.5000110.4V176 V178 L200 F202 A213 F216 N217 A230 G298V176-L300 HydrophobicContact CG1-CD1 4.33Å; V178-L300 HydrophobicContact CG2-CD2 3.88Å; V178-L300 HydrophobicContact CG2-CG 4.42Å; L200-L300 HydrophobicContact CD2-CD1 3.74Å; F202-L300 HydrophobicContact CD1-CD2 4.13Å; F202-L300 HydrophobicContact CD2-CD2 4.4Å; F202-L300 HydrophobicContact CE1-CD2 3.72Å; F202-L300 HydrophobicContact CE2-CD2 4.02Å; F202-L300 HydrophobicContact CG-CD2 4.47Å; F202-L300 HydrophobicContact CZ-CD2 3.67Å; A213-L300 HydrophobicContact CB-CB 3.65Å; F216-L300 HydrophobicContact CB-CD1 4.29Å; F216-L300 HydrophobicContact CD1-CD1 3.71Å; F216-L300 HydrophobicContact CG-CD1 4.39Å; N217-L300 PolarHBondContact ND2-O 3.29Å; N217-L300 WeakPolarHBondContact OD1-CB 3.33Å; N217-L300 PolarHBondContact OD1-N 3.48Å; A230-L300 HydrophobicContact CB-CD1 4.02Å; A230-L300 HydrophobicContact CB-CD2 3.76Å; A230-L300 HydrophobicContact CB-CG 4.32Å; G298-L300 PolarHBondContact O-N 2.96Å
301S90.6Very high88.4Confident71 Ų7186.3 Ų86.350%0.49747%0.473SS..  trans-63.4131.8174.7179.40000111.9A213 I303A213-S301 VanDerWaalsContact CB-O 3.28Å; A213-S301 WeakPolarHBondContact CB-O 3.3Å; S301-I303 PolarHBondContact O-N 3.45Å; S301-I303 PolarHBondContact OG-N 3.01Å; S301-I303 VanDerWaalsContact OG-N 3.08Å; S301-I303 PolarHBondContact OG-O 2.92Å
302S91.8Very high88.9Confident76 Ų7690.4 Ų90.453%0.53149%0.494SS..SBendtrans-79.6-3.3170.457.60000113.9A210A210-S302 WeakPolarHBondContact CB-O 3.35Å; A210-S302 WeakPolarHBondContact O-CA 3.43Å
303I91.9Very high89.3Confident122 Ų12288.9 Ų88.963%0.62648%0.484SS*.SBendtrans-117.4128.4-178.2-55.9171.8000108.4S301 V305S301-I303 PolarHBondContact O-N 3.45Å; S301-I303 PolarHBondContact OG-N 3.01Å; S301-I303 VanDerWaalsContact OG-N 3.08Å; S301-I303 PolarHBondContact OG-O 2.92Å; I303-V305 PolarHBondContact O-N 3.49Å
304P92.5Very high89.8Confident45 Ų4589.5 Ų89.529%0.29249%0.486SS..  trans-70.1131.9178.229.1-33.6000111A204 A210 R306A204-P304 CarbonylContact O-C 3.52Å; A204-P304 VanDerWaalsContact O-CA 3.31Å; A204-P304 WeakPolarHBondContact O-CA 3.37Å; A210-P304 HydrophobicContact CB-CB 4.25Å; A210-P304 HydrophobicContact CB-CG 4.48Å; P304-R306 PolarHBondContact O-N 3.37Å
305V90.1Very high90.5Very high86 Ų8690 Ų9052%0.52148%0.481SS..  trans-68122.7175.1179.50000109.2A204 W205 I303 G307A204-V305 HydrophobicContact CB-CB 4.24Å; A204-V305 HydrophobicContact CB-CG2 3.95Å; A204-V305 PolarHBondContact O-N 3Å; W205-V305 WeakPolarHBondContact CA-O 3.34Å; I303-V305 PolarHBondContact O-N 3.49Å; V305-G307 PolarHBondContact O-N 3.08Å
306R86.6Confident91Very high210 Ų21091.7 Ų91.779%0.79249%0.489SS*.  trans-80.9110.3173.4-63179.5-175.2160.4-0.2109.1E29 P304E29-R306 IonicContact OE1-NH1 3.64Å; E29-R306 PolarHBondContact OE1-NH1 3.36Å; P304-R306 PolarHBondContact O-N 3.37Å
307G84Confident91.3Very high69 Ų6992.6 Ų92.671%0.71150%0.499SS*.  trans-94.6146.6170.100000111.5V305V305-G307 PolarHBondContact O-N 3.08Å
308I87Confident91.9Very high107 Ų10790.9 Ų90.955%0.54949%0.492SS..  trans-91.3123170.7-60.4168.5000108W310 V313I308-W310 PolarHBondContact O-N 3.48Å; I308-W310 VanDerWaalsContact O-N 3.15Å; I308-V313 HydrophobicContact CG2-CG2 3.87Å
309D90.2Very high92.4Very high95 Ų9593.7 Ų93.751%0.50850%0.499SS..  trans-76.998.4170.2-175.6-16.4000109.6L311 L312 V313D309-L311 VanDerWaalsContact C-N 3.27Å; D309-L311 PolarHBondContact O-N 2.74Å; D309-L311 WeakPolarHBondContact OD1-CA 3.42Å; D309-L311 WeakPolarHBondContact OD1-CB 3.22Å; D309-L311 PolarHBondContact OD1-N 3.46Å; D309-L312 HydrophobicContact CB-CB 3.84Å; D309-L312 WeakPolarHBondContact O-CB 3.1Å; D309-L312 PolarHBondContact O-N 2.85Å; D309-L312 PolarHBondContact OD1-N 2.93Å; D309-V313 WeakPolarHBondContact O-CG2 3.32Å; D309-V313 PolarHBondContact O-N 2.99Å
310W91.9Very high92.6Very high161 Ų16192.8 Ų92.861%0.6149%0.492SS*.Hα-helixtrans-61.9-32177.9-69.599.4000113.1I308 V313 F314I308-W310 PolarHBondContact O-N 3.48Å; I308-W310 VanDerWaalsContact O-N 3.15Å; W310-V313 PolarHBondContact O-N 3.45Å; W310-F314 HydrophobicContact CB-CD2 4.35Å; W310-F314 HydrophobicContact CB-CE2 4.09Å; W310-F314 HydrophobicContact CE3-CE2 4.39Å; W310-F314 HydrophobicContact CE3-CZ 4.32Å; W310-F314 WeakPolarHBondContact O-CB 3.27Å; W310-F314 WeakPolarHBondContact O-CD2 3.34Å; W310-F314 WeakPolarHBondContact O-CG 3.3Å; W310-F314 PolarHBondContact O-N 2.92Å
311L93.1Very high92.8Very high138 Ų13895 Ų9572%0.72351%0.512SS*.Hα-helixtrans-68.8-39.9177.1-65.3174.4000110.6D309 F314 S315D309-L311 VanDerWaalsContact C-N 3.27Å; D309-L311 PolarHBondContact O-N 2.74Å; D309-L311 WeakPolarHBondContact OD1-CA 3.42Å; D309-L311 WeakPolarHBondContact OD1-CB 3.22Å; D309-L311 PolarHBondContact OD1-N 3.46Å; L311-F314 PolarHBondContact O-N 2.96Å; L311-S315 WeakPolarHBondContact O-CB 3.31Å; L311-S315 PolarHBondContact O-N 3.09Å
312L92.3Very high93.1Very high98 Ų9897.3 Ų97.351%0.51351%0.513SS..Hα-helixtrans-61.9-45.1172.2-17664.8000111.3D309 S315 I316D309-L312 HydrophobicContact CB-CB 3.84Å; D309-L312 WeakPolarHBondContact O-CB 3.1Å; D309-L312 PolarHBondContact O-N 2.85Å; D309-L312 PolarHBondContact OD1-N 2.93Å; L312-S315 PolarHBondContact O-N 2.85Å; L312-I316 HydrophobicContact CD1-CD1 4.19Å; L312-I316 HydrophobicContact CG-CD1 3.97Å; L312-I316 VanDerWaalsContact O-CG1 3.3Å; L312-I316 WeakPolarHBondContact O-CG1 3.29Å; L312-I316 PolarHBondContact O-N 3.19Å
313V94.5Very high93.2Very high42 Ų4298 Ų9826%0.25551%0.51SS..Hα-helixtrans-59.6-50.3176.2172.80000111.2I308 D309 W310 S315 I316 L317I308-V313 HydrophobicContact CG2-CG2 3.87Å; D309-V313 WeakPolarHBondContact O-CG2 3.32Å; D309-V313 PolarHBondContact O-N 2.99Å; W310-V313 PolarHBondContact O-N 3.45Å; V313-S315 VanDerWaalsContact C-N 3.33Å; V313-S315 PolarHBondContact O-N 2.67Å; V313-I316 PolarHBondContact O-N 3.27Å; V313-L317 HydrophobicContact CG1-CD1 4.06Å; V313-L317 WeakPolarHBondContact O-CG 3.16Å; V313-L317 PolarHBondContact O-N 3.4Å
314F96.3Very high93.3Very high123 Ų12395.2 Ų95.254%0.53950%0.499SS..Hα-helixtrans-64-36.6178.2-69.1-53000112.6W310 L311 L317 F318W310-F314 HydrophobicContact CB-CD2 4.35Å; W310-F314 HydrophobicContact CB-CE2 4.09Å; W310-F314 HydrophobicContact CE3-CE2 4.39Å; W310-F314 HydrophobicContact CE3-CZ 4.32Å; W310-F314 WeakPolarHBondContact O-CB 3.27Å; W310-F314 WeakPolarHBondContact O-CD2 3.34Å; W310-F314 WeakPolarHBondContact O-CG 3.3Å; W310-F314 PolarHBondContact O-N 2.92Å; L311-F314 PolarHBondContact O-N 2.96Å; F314-L317 HydrophobicContact CD1-CD1 4.48Å; F314-L317 PolarHBondContact O-N 2.6Å; F314-F318 WeakPolarHBondContact O-CB 3.42Å; F314-F318 PolarHBondContact O-N 3.49Å
315S97.3Very high93.3Very high58 Ų5899.1 Ų99.141%0.40651%0.509SS..Hα-helixtrans-62.1-46.4174.4-177.20000111.9L311 L312 V313 L317 F318 I319L311-S315 WeakPolarHBondContact O-CB 3.31Å; L311-S315 PolarHBondContact O-N 3.09Å; L312-S315 PolarHBondContact O-N 2.85Å; V313-S315 VanDerWaalsContact C-N 3.33Å; V313-S315 PolarHBondContact O-N 2.67Å; S315-L317 PolarHBondContact O-N 3.38Å; S315-F318 PolarHBondContact O-N 3.4Å; S315-I319 VanDerWaalsContact O-CG1 3.3Å; S315-I319 WeakPolarHBondContact O-CG1 3.17Å; S315-I319 PolarHBondContact O-N 3.47Å
316I95.9Very high93.4Very high69 Ų6997.7 Ų97.735%0.35451%0.505SS..Hα-helixtrans-63.1-42.4176.2-68.3165.9000111.1M23 L312 V313 F318 I319 T320M23-I316 HydrophobicContact CE-CG2 4.08Å; L312-I316 HydrophobicContact CD1-CD1 4.19Å; L312-I316 HydrophobicContact CG-CD1 3.97Å; L312-I316 VanDerWaalsContact O-CG1 3.3Å; L312-I316 WeakPolarHBondContact O-CG1 3.29Å; L312-I316 PolarHBondContact O-N 3.19Å; V313-I316 PolarHBondContact O-N 3.27Å; I316-F318 VanDerWaalsContact C-N 3.35Å; I316-F318 PolarHBondContact O-N 3.36Å; I316-I319 PolarHBondContact O-N 2.94Å; I316-T320 HydrophobicContact CG2-CG2 4.4Å; I316-T320 WeakPolarHBondContact O-CB 3.19Å; I316-T320 WeakPolarHBondContact O-CG2 3.47Å; I316-T320 PolarHBondContact O-N 3Å; I316-T320 PolarHBondContact O-OG1 2.97Å
317L96.7Very high93.6Very high91 Ų9191.2 Ų91.248%0.47649%0.486SS..Hα-helixtrans-63.3-39.9175.8-70174.1000112.1V313 F314 S315 T320 A321V313-L317 HydrophobicContact CG1-CD1 4.06Å; V313-L317 WeakPolarHBondContact O-CG 3.16Å; V313-L317 PolarHBondContact O-N 3.4Å; F314-L317 HydrophobicContact CD1-CD1 4.48Å; F314-L317 PolarHBondContact O-N 2.6Å; S315-L317 PolarHBondContact O-N 3.38Å; L317-T320 WeakPolarHBondContact CA-OG1 3.29Å; L317-T320 PolarHBondContact O-OG1 3.3Å; L317-T320 VanDerWaalsContact O-OG1 3.08Å; L317-A321 VanDerWaalsContact O-CB 3.3Å; L317-A321 WeakPolarHBondContact O-CB 3.34Å; L317-A321 PolarHBondContact O-N 3.35Å
318F97.3Very high93.8Very high132 Ų13293.2 Ų93.258%0.57948%0.48SS*.Hα-helixtrans-64.9-47.9176.2-178-94.1000111.9F314 S315 I316 A321 F322F314-F318 WeakPolarHBondContact O-CB 3.42Å; F314-F318 PolarHBondContact O-N 3.49Å; S315-F318 PolarHBondContact O-N 3.4Å; I316-F318 VanDerWaalsContact C-N 3.35Å; I316-F318 PolarHBondContact O-N 3.36Å; F318-A321 PolarHBondContact O-N 2.89Å; F318-F322 HydrophobicContact CD1-CD2 4.19Å; F318-F322 HydrophobicContact CD2-CD2 4.34Å; F318-F322 HydrophobicContact CD2-CE2 4.2Å; F318-F322 AromaticContact CE1-CD2 3.83Å; F318-F322 HydrophobicContact CE1-CD2 3.83Å; F318-F322 AromaticContact CE1-CE2 3.84Å; F318-F322 HydrophobicContact CE1-CE2 3.84Å; F318-F322 HydrophobicContact CE2-CD2 4Å; F318-F322 AromaticContact CE2-CE2 3.47Å; F318-F322 HydrophobicContact CE2-CE2 3.47Å; F318-F322 VanDerWaalsContact CE2-CE2 3.47Å; F318-F322 HydrophobicContact CE2-CZ 4.43Å; F318-F322 HydrophobicContact CG-CD2 4.43Å; F318-F322 AromaticContact CZ-CD2 3.74Å; F318-F322 HydrophobicContact CZ-CD2 3.74Å; F318-F322 AromaticContact CZ-CE2 3.26Å; F318-F322 HydrophobicContact CZ-CE2 3.26Å; F318-F322 AromaticContact CZ-CZ 3.96Å; F318-F322 HydrophobicContact CZ-CZ 3.96Å; F318-F322 PolarHBondContact O-N 3.44Å
319I96.8Very high93.8Very high89 Ų8995.6 Ų95.646%0.45648%0.482SS..Hα-helixtrans-62.7-45.6178.9-68165.1000110.8S315 I316 A321 F322 I323S315-I319 VanDerWaalsContact O-CG1 3.3Å; S315-I319 WeakPolarHBondContact O-CG1 3.17Å; S315-I319 PolarHBondContact O-N 3.47Å; I316-I319 PolarHBondContact O-N 2.94Å; I319-A321 PolarHBondContact O-N 2.96Å; I319-F322 PolarHBondContact O-N 2.95Å; I319-I323 HydrophobicContact CG2-CD1 3.74Å; I319-I323 HydrophobicContact CG2-CG1 4.46Å; I319-I323 VanDerWaalsContact O-CG1 3.31Å; I319-I323 WeakPolarHBondContact O-CG1 3.46Å; I319-I323 PolarHBondContact O-N 2.78Å
320T95.7Very high93.5Very high57 Ų5793.9 Ų93.935%0.3548%0.481SS..Hα-helixtrans-64.9-40178.552.10000112I316 L317 F322 I323 V324I316-T320 HydrophobicContact CG2-CG2 4.4Å; I316-T320 WeakPolarHBondContact O-CB 3.19Å; I316-T320 WeakPolarHBondContact O-CG2 3.47Å; I316-T320 PolarHBondContact O-N 3Å; I316-T320 PolarHBondContact O-OG1 2.97Å; L317-T320 WeakPolarHBondContact CA-OG1 3.29Å; L317-T320 PolarHBondContact O-OG1 3.3Å; L317-T320 VanDerWaalsContact O-OG1 3.08Å; T320-F322 PolarHBondContact O-N 3.43Å; T320-I323 PolarHBondContact O-N 2.95Å; T320-V324 VanDerWaalsContact O-CG2 3.32Å; T320-V324 WeakPolarHBondContact O-CG2 3.34Å; T320-V324 PolarHBondContact O-N 2.73Å
321A96.3Very high92.5Very high57 Ų5788.2 Ų88.247%0.47146%0.463SS..Hα-helixtrans-60.6-42.7173.500000112.6L317 F318 I319 V324 Y325L317-A321 VanDerWaalsContact O-CB 3.3Å; L317-A321 WeakPolarHBondContact O-CB 3.34Å; L317-A321 PolarHBondContact O-N 3.35Å; F318-A321 PolarHBondContact O-N 2.89Å; I319-A321 PolarHBondContact O-N 2.96Å; A321-V324 PolarHBondContact O-N 2.99Å; A321-Y325 WeakPolarHBondContact O-CB 3.33Å; A321-Y325 PolarHBondContact O-N 2.97Å
322F96.4Very high91.3Very high118 Ų11885 Ų8552%0.51845%0.452SS..Hα-helixtrans-65.9-40.8176.2-97.8-96.5000113F318 I319 T320 Y325 A326F318-F322 HydrophobicContact CD1-CD2 4.19Å; F318-F322 HydrophobicContact CD2-CD2 4.34Å; F318-F322 HydrophobicContact CD2-CE2 4.2Å; F318-F322 AromaticContact CE1-CD2 3.83Å; F318-F322 HydrophobicContact CE1-CD2 3.83Å; F318-F322 AromaticContact CE1-CE2 3.84Å; F318-F322 HydrophobicContact CE1-CE2 3.84Å; F318-F322 HydrophobicContact CE2-CD2 4Å; F318-F322 AromaticContact CE2-CE2 3.47Å; F318-F322 HydrophobicContact CE2-CE2 3.47Å; F318-F322 VanDerWaalsContact CE2-CE2 3.47Å; F318-F322 HydrophobicContact CE2-CZ 4.43Å; F318-F322 HydrophobicContact CG-CD2 4.43Å; F318-F322 AromaticContact CZ-CD2 3.74Å; F318-F322 HydrophobicContact CZ-CD2 3.74Å; F318-F322 AromaticContact CZ-CE2 3.26Å; F318-F322 HydrophobicContact CZ-CE2 3.26Å; F318-F322 AromaticContact CZ-CZ 3.96Å; F318-F322 HydrophobicContact CZ-CZ 3.96Å; F318-F322 PolarHBondContact O-N 3.44Å; I319-F322 PolarHBondContact O-N 2.95Å; T320-F322 PolarHBondContact O-N 3.43Å; F322-Y325 PolarHBondContact O-N 2.89Å; F322-A326 WeakPolarHBondContact O-CB 3.4Å; F322-A326 PolarHBondContact O-N 3.04Å
323I94.6Very high89.9Confident90 Ų9085.9 Ų85.946%0.46246%0.456SS..Hα-helixtrans-62.2-46.8175.2-69.5166.6000110.4I319 T320 Y325 A326 I327I319-I323 HydrophobicContact CG2-CD1 3.74Å; I319-I323 HydrophobicContact CG2-CG1 4.46Å; I319-I323 VanDerWaalsContact O-CG1 3.31Å; I319-I323 WeakPolarHBondContact O-CG1 3.46Å; I319-I323 PolarHBondContact O-N 2.78Å; T320-I323 PolarHBondContact O-N 2.95Å; I323-Y325 PolarHBondContact O-N 3.37Å; I323-A326 PolarHBondContact O-N 3.19Å; I323-I327 HydrophobicContact CG2-CD1 3.81Å; I323-I327 VanDerWaalsContact O-CG1 3.3Å; I323-I327 WeakPolarHBondContact O-CG1 3.47Å; I323-I327 PolarHBondContact O-N 2.88Å
324V94Very high88.4Confident64 Ų6493.9 Ų93.939%0.38848%0.482SS..Hα-helixtrans-60.5-46176.71700000111T320 A321 A326 I327 L328T320-V324 VanDerWaalsContact O-CG2 3.32Å; T320-V324 WeakPolarHBondContact O-CG2 3.34Å; T320-V324 PolarHBondContact O-N 2.73Å; A321-V324 PolarHBondContact O-N 2.99Å; V324-A326 PolarHBondContact O-N 3.34Å; V324-I327 PolarHBondContact O-N 3.4Å; V324-L328 HydrophobicContact CG1-CD1 3.92Å; V324-L328 HydrophobicContact CG1-CG 4.45Å; V324-L328 VanDerWaalsContact O-CG 3.29Å; V324-L328 WeakPolarHBondContact O-CG 3.32Å; V324-L328 PolarHBondContact O-N 3.18Å
325Y93.4Very high86.7Confident128 Ų12896.3 Ų96.350%0.50249%0.488SS..Hα-helixtrans-60.3-44.1176.3175.8-105.6000112.5A321 F322 I323 L328 R329A321-Y325 WeakPolarHBondContact O-CB 3.33Å; A321-Y325 PolarHBondContact O-N 2.97Å; F322-Y325 PolarHBondContact O-N 2.89Å; I323-Y325 PolarHBondContact O-N 3.37Å; Y325-L328 PolarHBondContact O-N 3.39Å; Y325-R329 HydrophobicContact CD1-CG 4.3Å; Y325-R329 HydrophobicContact CD2-CG 4.19Å; Y325-R329 HydrophobicContact CE1-CG 3.88Å; Y325-R329 HydrophobicContact CE2-CG 3.74Å; Y325-R329 HydrophobicContact CG-CG 4.45Å; Y325-R329 WeakPolarHBondContact O-CB 3.41Å; Y325-R329 VanDerWaalsContact O-CG 3.27Å; Y325-R329 WeakPolarHBondContact O-CG 2.99Å; Y325-R329 PolarHBondContact O-N 3.22Å
326A91.6Very high84.9Confident55 Ų5599.7 Ų99.746%0.45550%0.501SS..Hα-helixtrans-62.7-4317800000112.1F322 I323 V324 R329 A330F322-A326 WeakPolarHBondContact O-CB 3.4Å; F322-A326 PolarHBondContact O-N 3.04Å; I323-A326 PolarHBondContact O-N 3.19Å; V324-A326 PolarHBondContact O-N 3.34Å; A326-R329 PolarHBondContact O-N 3.24Å; A326-A330 WeakPolarHBondContact O-CB 3.32Å; A326-A330 PolarHBondContact O-N 3.19Å
327I90Very high83.2Confident74 Ų74102.5 Ų102.538%0.37952%0.515SS..Hα-helixtrans-61.4-49.1175.7-68.2165.8000110.4I323 V324 R329 A330 D331I323-I327 HydrophobicContact CG2-CD1 3.81Å; I323-I327 VanDerWaalsContact O-CG1 3.3Å; I323-I327 WeakPolarHBondContact O-CG1 3.47Å; I323-I327 PolarHBondContact O-N 2.88Å; V324-I327 PolarHBondContact O-N 3.4Å; I327-R329 VanDerWaalsContact C-N 3.32Å; I327-R329 PolarHBondContact O-N 3.25Å; I327-A330 PolarHBondContact O-N 2.89Å; I327-D331 WeakPolarHBondContact O-CB 3.02Å; I327-D331 PolarHBondContact O-N 3.01Å
328L87.8Confident81.3Confident112 Ų112103.3 Ų103.359%0.58653%0.525SS*.Hα-helixtrans-60.8-38.9179-68.7171.8000112.5V324 Y325 S332V324-L328 HydrophobicContact CG1-CD1 3.92Å; V324-L328 HydrophobicContact CG1-CG 4.45Å; V324-L328 VanDerWaalsContact O-CG 3.29Å; V324-L328 WeakPolarHBondContact O-CG 3.32Å; V324-L328 PolarHBondContact O-N 3.18Å; Y325-L328 PolarHBondContact O-N 3.39Å; L328-S332 PolarHBondContact O-N 3.28Å
329R87.1Confident79.4Confident157 Ų15799.8 Ų99.859%0.59253%0.526SS*.Hα-helixtrans-67.8-42.9174.9-73.1-78.3-68.4-151.9-1.7112.1Y325 A326 I327 S332 L333Y325-R329 HydrophobicContact CD1-CG 4.3Å; Y325-R329 HydrophobicContact CD2-CG 4.19Å; Y325-R329 HydrophobicContact CE1-CG 3.88Å; Y325-R329 HydrophobicContact CE2-CG 3.74Å; Y325-R329 HydrophobicContact CG-CG 4.45Å; Y325-R329 WeakPolarHBondContact O-CB 3.41Å; Y325-R329 VanDerWaalsContact O-CG 3.27Å; Y325-R329 WeakPolarHBondContact O-CG 2.99Å; Y325-R329 PolarHBondContact O-N 3.22Å; A326-R329 PolarHBondContact O-N 3.24Å; I327-R329 VanDerWaalsContact C-N 3.32Å; I327-R329 PolarHBondContact O-N 3.25Å; R329-S332 WeakPolarHBondContact O-CB 3.42Å; R329-S332 PolarHBondContact O-N 3.22Å; R329-L333 PolarHBondContact O-N 3.25Å
330A84.6Confident77.4Confident59 Ų59102.9 Ų102.949%0.48854%0.539SS..Hα-helixtrans-64.7-41.8177.400000111.9A326 I327 S332 L333 R334A326-A330 WeakPolarHBondContact O-CB 3.32Å; A326-A330 PolarHBondContact O-N 3.19Å; I327-A330 PolarHBondContact O-N 2.89Å; A330-S332 VanDerWaalsContact C-N 3.29Å; A330-S332 PolarHBondContact O-N 3.46Å; A330-L333 PolarHBondContact O-N 2.7Å; A330-R334 WeakPolarHBondContact O-CB 3.45Å; A330-R334 PolarHBondContact O-N 2.79Å
331D71Confident75.6Confident42 Ų42108.4 Ų108.423%0.22556%0.561CS.*Hα-helixtrans-64.4-31.7176.4-111.1-33000113R6 I327R6-D331 IonicContact CZ-OD1 3.69Å; R6-D331 IonicContact NE-OD1 3.91Å; R6-D331 IonicContact NH2-OD1 2.72Å; R6-D331 PolarHBondContact NH2-OD1 3.19Å; I327-D331 WeakPolarHBondContact O-CB 3.02Å; I327-D331 PolarHBondContact O-N 3.01Å
332S68.4Low73.5Confident71 Ų71112 Ų11250%0.49757%0.568SS.*Hα-helixtrans-69.9-45.1172.4-174.10000111.7L328 R329 A330 R334 W335L328-S332 PolarHBondContact O-N 3.28Å; R329-S332 WeakPolarHBondContact O-CB 3.42Å; R329-S332 PolarHBondContact O-N 3.22Å; A330-S332 VanDerWaalsContact C-N 3.29Å; A330-S332 PolarHBondContact O-N 3.46Å; S332-R334 PolarHBondContact O-N 2.92Å; S332-W335 PolarHBondContact O-N 3.35Å
333L62.5Low71.4Confident116 Ų116114.7 Ų114.761%0.60758%0.582SS**Hα-helixtrans-67.4-36.3179.6-159.771.2000112.2R329 A330 W335 L336R329-L333 PolarHBondContact O-N 3.25Å; A330-L333 PolarHBondContact O-N 2.7Å; L333-W335 PolarHBondContact O-N 3.49Å; L333-L336 PolarHBondContact O-N 3.31Å
334R63.8Low69.5Low209 Ų209118.8 Ų118.879%0.78960%0.599SS**THydrogen-bonded Turntrans-72.3-6178.9-156.7172.9129111.41.4114A330 S332A330-R334 WeakPolarHBondContact O-CB 3.45Å; A330-R334 PolarHBondContact O-N 2.79Å; S332-R334 PolarHBondContact O-N 2.92Å
335W59Low67.8Low175 Ų175123.4 Ų123.466%0.66362%0.616SS**THydrogen-bonded Turntrans-90.2-21167-103111.9000113.3S332 L333S332-W335 PolarHBondContact O-N 3.35Å; L333-W335 PolarHBondContact O-N 3.49Å
336L59.6Low65.7Low129 Ų129128.1 Ų128.168%0.67565%0.65SS**SBendtrans-91.9-1.8-174.4-75.2164.4000113.8L333 P338L333-L336 PolarHBondContact O-N 3.31Å; L336-P338 WeakPolarHBondContact O-CD 3.38Å
337I61Low64.4Low128 Ų128131.8 Ų131.866%0.65666%0.66SS**SBendtrans-108.591.7168.4-53.5174.4000106.6G339I337-G339 PolarHBondContact O-N 3.44Å
338P57.3Low63.1Low107 Ų107134.8 Ų134.870%0.69567%0.674SS**  trans-55.2137162-16.829.9000107.7L336 Q340L336-P338 WeakPolarHBondContact O-CD 3.38Å; P338-Q340 PolarHBondContact O-N 2.81Å; P338-Q340 VanDerWaalsContact O-N 3.1Å
339G57.1Low61.7Low58 Ų58136.1 Ų136.160%0.59868%0.679SS**  trans-55.9122.1172.300000108.8I337 E341I337-G339 PolarHBondContact O-N 3.44Å; G339-E341 PolarHBondContact O-N 3.1Å
340Q54.3Low60.2Low155 Ų155134.9 Ų134.972%0.72468%0.684SS**  trans-71.373.4161.4-173.4172-11.400106.4P338 H342P338-Q340 PolarHBondContact O-N 2.81Å; P338-Q340 VanDerWaalsContact O-N 3.1Å; Q340-H342 PolarHBondContact NE2-CE1 2.9Å; Q340-H342 PolarHBondContact NE2-NE2 3.4Å; Q340-H342 PolarHBondContact O-N 2.83Å
341E57.3Low58.7Low173 Ų173139.6 Ų139.681%0.80870%0.697SS**  trans-68.279.9169.5-68.1-177.3-161.900106.4G339 E343G339-E341 PolarHBondContact O-N 3.1Å; E341-E343 PolarHBondContact O-N 2.94Å
342H53.5Low57.9Low133 Ų133146.1 Ų146.162%0.61673%0.728SS**  trans-68.690.9162.5-83.8-19.9000107.5Q340 H344Q340-H342 PolarHBondContact NE2-CE1 2.9Å; Q340-H342 PolarHBondContact NE2-NE2 3.4Å; Q340-H342 PolarHBondContact O-N 2.83Å; H342-H344 PolarHBondContact O-N 2.84Å
343E52.3Low57.1Low173 Ų173151.5 Ų151.581%0.80875%0.745SS**  trans-53.689.6154.1-67.7-177.6113.600108.1E341 Q345E341-E343 PolarHBondContact O-N 2.94Å; E343-Q345 PolarHBondContact O-N 2.99Å
344H54.8Low56.7Low177 Ų177154.2 Ų154.282%0.81976%0.755SS**  trans-74.183.4158.1-85.6-63.8000107.6H342 D346H342-H344 PolarHBondContact O-N 2.84Å; H344-D346 PolarHBondContact O-N 3.44Å
345Q56.8Low56.1Low161 Ų161149.7 Ų149.775%0.75275%0.752SS**  trans-78.8102.9160.4-179.8167.9-12.100107.8E343E343-Q345 PolarHBondContact O-N 2.99Å
346D50.8Low55.9Low227 Ų227147.4 Ų147.4100%1.21476%0.761SS**  trans176.30134.9-83.4-20000110.7H344H344-D346 PolarHBondContact O-N 3.44Å

Retrieved 346 of 346 residues in 1191.3 ms (Link to these results)