A0A3Q0KQD1_SCHMA Loading...

28S ribosomal protein S28, mitochondrial

AlphaFold DB , UniProt , Accession A0A3Q0KQD1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 274 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
1M33.8Very low38.7Very low241 Ų241160.8 Ų160.8100%1.18780%0.796SS**  081.40-73.5-79.5177.400106.7
2T35.1Very low38.7Very low136 Ų136160.1 Ų160.183%0.83480%0.796SS**  trans-134.373.1-170.140.10000108.1
3L35.8Very low38.8Very low167 Ų167157.5 Ų157.587%0.87479%0.785SS**  trans-151.9112.2166.4-106.2108.3000105.1
4E37.4Very low38.6Very low186 Ų186159.1 Ų159.187%0.86979%0.785SS**  trans160.697.7149.7-92-175.3-16300108.2
5K36.6Very low38.3Very low157 Ų157162.5 Ų162.568%0.68379%0.787SS**SBendtrans-176.36.6151.5-101.7168.4-164-166.70115.4E243K5-E243 IonicContact NZ-OE1 2.7Å; K5-E243 PolarHBondContact NZ-OE1 3.23Å; K5-E243 IonicContact NZ-OE2 2.63Å; K5-E243 PolarHBondContact NZ-OE2 3.43Å
6T42Very low38.3Very low126 Ų126160.9 Ų160.977%0.77378%0.783SS**SBendtrans-904.7177.750.30000115.3
7Y39.2Very low38.1Very low188 Ų188158.9 Ų158.974%0.73779%0.785SS**SBendtrans-89.1-2.2-172.3-90.8-80.9000117.1
8L39.9Very low37.9Very low143 Ų143160.2 Ų160.275%0.74978%0.781SS**SBendtrans-95.7-24.9-179.5-67.7-175.7000115.2S10L8-S10 VanDerWaalsContact C-N 3.33Å; L8-S10 PolarHBondContact O-N 3.06Å
9L39.9Very low37.5Very low148 Ų148162.6 Ų162.678%0.77579%0.787SS**Hα-helixtrans-73.5-23.8177.7-98.187.8000113.6
10S45Very low37.4Very low72 Ų72159.2 Ų159.250%0.50378%0.781SS.*Hα-helixtrans-79-17.2-177.9650000114L8L8-S10 VanDerWaalsContact C-N 3.33Å; L8-S10 PolarHBondContact O-N 3.06Å
11R40.7Very low37.2Very low205 Ų205159.9 Ų159.977%0.77478%0.78SS**Hα-helixtrans-84.7-28.6179.8-94-173174.5-171-0.4114.1
12L38.9Very low37.1Very low152 Ų152154 Ų15480%0.79675%0.752SS**Hα-helixtrans-82.3-17.2-173.3-125.5118.2000114.3K14L12-K14 VanDerWaalsContact C-N 3.32Å; L12-K14 PolarHBondContact O-N 3.14Å
13I39.9Very low36.8Very low126 Ų126151.8 Ų151.865%0.64674%0.742SS**G310 helixtrans-82.7-7.3-177.3-63.9170.1000112.7Y15I13-Y15 VanDerWaalsContact C-N 3.34Å; I13-Y15 PolarHBondContact O-N 2.95Å
14K36.5Very low36.4Very low180 Ų180153.6 Ų153.678%0.78374%0.743SS**G310 helixtrans-81.5-0.9-179.4-76.3-171.1179.1-176.40115.8L12L12-K14 VanDerWaalsContact C-N 3.32Å; L12-K14 PolarHBondContact O-N 3.14Å
15Y33.9Very low36Very low211 Ų211151.7 Ų151.783%0.82773%0.734SS**G310 helixtrans-111.630.3-176.7-77.2-76.5000115.1I13I13-Y15 VanDerWaalsContact C-N 3.34Å; I13-Y15 PolarHBondContact O-N 2.95Å
16L38Very low35.6Very low137 Ų137154.8 Ų154.872%0.71774%0.742SS**SBendtrans-113.8123.1163.2-85.9135.8000109.6Y18L16-Y18 PolarHBondContact O-N 3.06Å
17P34.9Very low34.9Very low126 Ų126158.4 Ų158.482%0.81874%0.743SS**  trans-68.2109-175.227.2-32.1000110.2K19P17-K19 PolarHBondContact O-N 2.81Å
18Y34Very low34.2Very low182 Ų182158.1 Ų158.171%0.71475%0.745SS**  trans-62.9108165.4-96.2-102.4000110.2L16 F21L16-Y18 PolarHBondContact O-N 3.06Å; Y18-F21 AromaticContact CD1-CD2 3.97Å; Y18-F21 HydrophobicContact CD1-CD2 3.97Å; Y18-F21 AromaticContact CD1-CE2 3.57Å; Y18-F21 HydrophobicContact CD1-CE2 3.57Å; Y18-F21 HydrophobicContact CE1-CD2 4.23Å; Y18-F21 AromaticContact CE1-CE2 3.48Å; Y18-F21 HydrophobicContact CE1-CE2 3.48Å; Y18-F21 VanDerWaalsContact CE1-CE2 3.48Å; Y18-F21 HydrophobicContact CE1-CZ 4.07Å
19K32Very low33.5Very low207 Ų207157.6 Ų157.690%0.975%0.752SS**  trans-140.491.3155.4-92.5-169.2177.8-176.90109.3P17P17-K19 PolarHBondContact O-N 2.81Å
20S34.2Very low32.9Very low94 Ų94155.2 Ų155.266%0.65775%0.748SS**  trans159.281.8148.7-179.70000107.7I22S20-I22 PolarHBondContact O-N 3.49Å
21F32.7Very low32.3Very low174 Ų174157.7 Ų157.776%0.76377%0.766SS**  trans-79.894.9158.7-101.5-88.9000106.2Y18 S23Y18-F21 AromaticContact CD1-CD2 3.97Å; Y18-F21 HydrophobicContact CD1-CD2 3.97Å; Y18-F21 AromaticContact CD1-CE2 3.57Å; Y18-F21 HydrophobicContact CD1-CE2 3.57Å; Y18-F21 HydrophobicContact CE1-CD2 4.23Å; Y18-F21 AromaticContact CE1-CE2 3.48Å; Y18-F21 HydrophobicContact CE1-CE2 3.48Å; Y18-F21 VanDerWaalsContact CE1-CE2 3.48Å; Y18-F21 HydrophobicContact CE1-CZ 4.07Å; F21-S23 PolarHBondContact O-N 3.39Å
22I32.3Very low31.8Very low118 Ų118151.1 Ų151.161%0.60576%0.755SS**  trans-78.5111.9158.2-65.5163000105S20 F24S20-I22 PolarHBondContact O-N 3.49Å; I22-F24 PolarHBondContact O-N 2.97Å; I22-F24 VanDerWaalsContact O-N 3.13Å
23S29.2Very low31.3Very low89 Ų89151.2 Ų151.262%0.62276%0.756SS**  trans-60.3116.2176.157.50000108.8F21 Q25F21-S23 PolarHBondContact O-N 3.39Å; S23-Q25 PolarHBondContact O-N 2.73Å
24F27.8Very low30.8Very low205 Ų205152.4 Ų152.490%0.89976%0.763SS**  trans-62.188.7164.7-90.8-92.5000108.4I22 R26I22-F24 PolarHBondContact O-N 2.97Å; I22-F24 VanDerWaalsContact O-N 3.13Å; F24-R26 PolarHBondContact O-N 2.87Å; F24-R26 VanDerWaalsContact O-N 3.08Å
25Q28.7Very low30.6Very low146 Ų146148.7 Ų148.768%0.68276%0.757SS**  trans-69.9104.4167-136.5170.8-6.100105.8S23 Y27S23-Q25 PolarHBondContact O-N 2.73Å; Q25-Y27 WeakPolarHBondContact O-CD2 3.47Å; Q25-Y27 PolarHBondContact O-N 3.3Å
26R27Very low30.5Very low222 Ų222147 Ų14784%0.83876%0.763SS**  trans-54.6105164.4-83.3-179-177.2144.20.2106.7F24 F28F24-R26 PolarHBondContact O-N 2.87Å; F24-R26 VanDerWaalsContact O-N 3.08Å; R26-F28 VanDerWaalsContact C-N 3.26Å; R26-F28 PolarHBondContact O-N 3.04Å
27Y27.2Very low30.5Very low201 Ų201147.5 Ų147.579%0.78876%0.759SS**  trans-66.695.1164.3-72.4-83.6000107.1Q25 C29Q25-Y27 WeakPolarHBondContact O-CD2 3.47Å; Q25-Y27 PolarHBondContact O-N 3.3Å; Y27-C29 PolarHBondContact O-N 3.22Å
28F25.3Very low30.7Very low182 Ų182148 Ų14880%0.79876%0.755SS**  trans-62.8112.2156.3-103.7-91.9000106.3R26 S30R26-F28 VanDerWaalsContact C-N 3.26Å; R26-F28 PolarHBondContact O-N 3.04Å; F28-S30 PolarHBondContact O-N 3.3Å
29C25.4Very low31.3Very low132 Ų132145 Ų14589%0.89276%0.758SS**  trans-62.880161.4-69.50000108.2Y27 S31Y27-C29 PolarHBondContact O-N 3.22Å; C29-S31 PolarHBondContact O-N 3.49Å
30S26.9Very low32.1Very low99 Ų99138.2 Ų138.269%0.69274%0.74SS**  trans-85.598.2165.9-169.10000107.4F28 A32F28-S30 PolarHBondContact O-N 3.3Å; S30-A32 PolarHBondContact O-N 2.94Å
31S33.8Very low33.3Very low124 Ų124135.7 Ų135.787%0.86772%0.723SS**  trans-52.4104.6157177.50000108.5C29C29-S31 PolarHBondContact O-N 3.49Å
32A28.8Very low34.8Very low67 Ų67131.6 Ų131.655%0.55471%0.709SS**  trans-164.9119.5158.900000109.8S30S30-A32 PolarHBondContact O-N 2.94Å
33N28.2Very low36.7Very low153 Ų153128.9 Ų128.982%0.81870%0.7SS**  trans82.263.7164-47.2-42.4000116.2
34L30.6Very low38.9Very low152 Ų152129.6 Ų129.680%0.79670%0.697SS**  trans-63123.2142.4-162.979.1000107.6
35P31.5Very low41.3Very low101 Ų101125.3 Ų125.366%0.65668%0.678SS**  trans-68.5133168.727.5-29.4000108.2K37P35-K37 PolarHBondContact O-N 3.41Å
36N32.1Very low43.3Very low177 Ų177123.9 Ų123.995%0.94768%0.675SS**  trans-40.9100.4170-93.8-27.4000110.4
37K37Very low45.7Very low147 Ų147116.7 Ų116.764%0.63966%0.655SS**  trans-128.1128.3160.1-87-162.2171.9-174.60106P35P35-K37 PolarHBondContact O-N 3.41Å
38D39.4Very low48.2Very low135 Ų135113.6 Ų113.672%0.72265%0.648SS**  trans-51.1129.7-171.8-62.7-57.3000110.5A40 S41D38-A40 PolarHBondContact O-N 2.94Å; D38-S41 PolarHBondContact O-N 2.91Å; D38-S41 PolarHBondContact O-OG 3.27Å
39P47.9Very low51Low121 Ų121111.8 Ų111.879%0.78664%0.64SS**THydrogen-bonded Turntrans-64-9.3-169.323.7-34000114.2
40A48.6Very low53.6Low63 Ų63110.8 Ų110.852%0.52163%0.625SS.*Hα-helixtrans-72-25.9174.300000113.1D38 S43D38-A40 PolarHBondContact O-N 2.94Å; A40-S43 PolarHBondContact O-OG 2.91Å; A40-S43 VanDerWaalsContact O-OG 3.06Å
41S59.8Low56.1Low42 Ų42110 Ų11029%0.29461%0.613SS.*Hα-helixtrans-79.2-20.7-170.2690000115.5D38D38-S41 PolarHBondContact O-N 2.91Å; D38-S41 PolarHBondContact O-OG 3.27Å
42D63.4Low58.4Low88 Ų88111.5 Ų111.547%0.47160%0.604SS.*Hα-helixtrans-84.9-32.1-177.4-80-18.6000112.5D44 L46D42-D44 VanDerWaalsContact C-N 3.31Å; D42-D44 PolarHBondContact O-N 3.35Å; D42-L46 WeakPolarHBondContact O-CG 3.37Å; D42-L46 PolarHBondContact O-N 3.12Å
43S72.1Confident60Low61 Ų61110.6 Ų110.643%0.42760%0.597SS.*Hα-helixtrans-64.7-37.6172.751.90000111.8A40 L46 T47A40-S43 PolarHBondContact O-OG 2.91Å; A40-S43 VanDerWaalsContact O-OG 3.06Å; S43-L46 PolarHBondContact O-N 3.33Å; S43-T47 WeakPolarHBondContact O-CB 3.42Å; S43-T47 PolarHBondContact O-N 3.48Å; S43-T47 PolarHBondContact O-OG1 3.17Å
44D76.1Confident61.7Low104 Ų104109.7 Ų109.756%0.55659%0.588SS**Hα-helixtrans-68.8-40.6-177.7-63.6-15.1000111D42 L46 T47 E48D42-D44 VanDerWaalsContact C-N 3.31Å; D42-D44 PolarHBondContact O-N 3.35Å; D44-L46 PolarHBondContact O-N 3.41Å; D44-T47 PolarHBondContact O-N 3.22Å; D44-E48 WeakPolarHBondContact O-CB 3.49Å; D44-E48 PolarHBondContact O-N 3.35Å
45K78.6Confident62.7Low115 Ų115108.7 Ų108.750%0.558%0.579SS.*Hα-helixtrans-64.5-38.7174.9-76.7177.2-176.6168.10113.4F49K45-F49 WeakPolarHBondContact O-CB 3.39Å; K45-F49 PolarHBondContact O-N 3.35Å
46L70.6Confident63.8Low116 Ų116107.4 Ų107.461%0.60757%0.572SS**Hα-helixtrans-68.3-40.2176.1-72.7179.3000110.9D42 S43 D44 E48 F49 L50D42-L46 WeakPolarHBondContact O-CG 3.37Å; D42-L46 PolarHBondContact O-N 3.12Å; S43-L46 PolarHBondContact O-N 3.33Å; D44-L46 PolarHBondContact O-N 3.41Å; L46-E48 VanDerWaalsContact C-N 3.35Å; L46-F49 PolarHBondContact O-N 3.16Å; L46-L50 WeakPolarHBondContact O-CB 3.28Å; L46-L50 VanDerWaalsContact O-CG 3.28Å; L46-L50 WeakPolarHBondContact O-CG 3.47Å; L46-L50 PolarHBondContact O-N 3.19Å
47T76.3Confident64.6Low71 Ų71104.3 Ų104.344%0.43656%0.56SS.*Hα-helixtrans-64.2-41.7176.2-49.30000110.9S43 D44 L50 N51S43-T47 WeakPolarHBondContact O-CB 3.42Å; S43-T47 PolarHBondContact O-N 3.48Å; S43-T47 PolarHBondContact O-OG1 3.17Å; D44-T47 PolarHBondContact O-N 3.22Å; T47-L50 PolarHBondContact O-N 3.17Å; T47-N51 WeakPolarHBondContact O-CB 3.21Å; T47-N51 PolarHBondContact O-N 2.8Å; T47-N51 PolarHBondContact O-ND2 3.25Å
48E79.8Confident65.1Low135 Ų135103.1 Ų103.163%0.63156%0.559SS**Hα-helixtrans-63.4-41.9174.4-170.3-176.6175.600112.2D44 L46 K52D44-E48 WeakPolarHBondContact O-CB 3.49Å; D44-E48 PolarHBondContact O-N 3.35Å; L46-E48 VanDerWaalsContact C-N 3.35Å; E48-K52 WeakPolarHBondContact O-CB 3.44Å; E48-K52 PolarHBondContact O-N 2.9Å
49F83.6Confident65.1Low145 Ų145104.7 Ų104.764%0.63656%0.562SS**Hα-helixtrans-65.6-41.1177.2-171.9-92.4000112.3K45 L46 K52 A53K45-F49 WeakPolarHBondContact O-CB 3.39Å; K45-F49 PolarHBondContact O-N 3.35Å; L46-F49 PolarHBondContact O-N 3.16Å; F49-K52 PolarHBondContact O-N 3.26Å; F49-A53 PolarHBondContact O-N 2.79Å; F49-A53 VanDerWaalsContact O-N 3.12Å
50L80.7Confident64.6Low110 Ų110106.2 Ų106.258%0.57656%0.564SS**Hα-helixtrans-66.1-46.7176.8-70.8172.6000111.2L46 T47 K52 A53 E54L46-L50 WeakPolarHBondContact O-CB 3.28Å; L46-L50 VanDerWaalsContact O-CG 3.28Å; L46-L50 WeakPolarHBondContact O-CG 3.47Å; L46-L50 PolarHBondContact O-N 3.19Å; T47-L50 PolarHBondContact O-N 3.17Å; L50-K52 VanDerWaalsContact C-N 3.27Å; L50-K52 PolarHBondContact O-N 2.93Å; L50-A53 PolarHBondContact O-N 3.22Å; L50-E54 PolarHBondContact O-N 2.97Å
51N78.9Confident64Low82 Ų82112.2 Ų112.244%0.43958%0.578SS.*Hα-helixtrans-61.8-36.9176.2-68.2-18.5000111.7T47 A53 E54 H55T47-N51 WeakPolarHBondContact O-CB 3.21Å; T47-N51 PolarHBondContact O-N 2.8Å; T47-N51 PolarHBondContact O-ND2 3.25Å; N51-A53 VanDerWaalsContact C-N 3.35Å; N51-A53 PolarHBondContact O-N 2.95Å; N51-E54 PolarHBondContact O-N 3.26Å; N51-H55 PolarHBondContact O-CD2 3.43Å; N51-H55 PolarHBondContact O-N 3.36Å
52K82.4Confident62.5Low156 Ų156117.4 Ų117.468%0.67860%0.603SS**Hα-helixtrans-65.8-34.9177.1-176165.2-177.9168.80113.1E48 F49 L50E48-K52 WeakPolarHBondContact O-CB 3.44Å; E48-K52 PolarHBondContact O-N 2.9Å; F49-K52 PolarHBondContact O-N 3.26Å; L50-K52 VanDerWaalsContact C-N 3.27Å; L50-K52 PolarHBondContact O-N 2.93Å
53A62.1Low61Low49 Ų49123.1 Ų123.141%0.40562%0.624SS.*Hα-helixtrans-73.4-31.4176.800000112.6F49 L50 N51 S56F49-A53 PolarHBondContact O-N 2.79Å; F49-A53 VanDerWaalsContact O-N 3.12Å; L50-A53 PolarHBondContact O-N 3.22Å; N51-A53 VanDerWaalsContact C-N 3.35Å; N51-A53 PolarHBondContact O-N 2.95Å; A53-S56 PolarHBondContact O-OG 2.86Å
54E63.2Low58.7Low133 Ų133125.9 Ų125.962%0.62164%0.642SS**Hα-helixtrans-69.9-40.5175.9-68.5-173.4175.600111.8L50 N51 S56 T57L50-E54 PolarHBondContact O-N 2.97Å; N51-E54 PolarHBondContact O-N 3.26Å; E54-S56 VanDerWaalsContact C-N 3.32Å; E54-S56 PolarHBondContact O-N 3.4Å; E54-T57 PolarHBondContact O-N 3.14Å; E54-T57 PolarHBondContact O-OG1 2.84Å
55H51.8Low56.2Low131 Ų131128 Ų12861%0.60665%0.653SS**Hα-helixtrans-65.7-29.1178.4-78.1-65.2000114.1N51 T57 I58N51-H55 PolarHBondContact O-CD2 3.43Å; N51-H55 PolarHBondContact O-N 3.36Å; H55-T57 PolarHBondContact O-N 2.74Å; H55-T57 VanDerWaalsContact O-N 3.16Å; H55-I58 PolarHBondContact O-N 3.39Å
56S55.9Low53.9Low75 Ų75130.1 Ų130.152%0.52467%0.67SS.*THydrogen-bonded Turntrans-69.7-8.6177.758.50000114.6A53 E54A53-S56 PolarHBondContact O-OG 2.86Å; E54-S56 VanDerWaalsContact C-N 3.32Å; E54-S56 PolarHBondContact O-N 3.4Å
57T48.5Very low51.8Low111 Ų111129.1 Ų129.168%0.68167%0.673SS**THydrogen-bonded Turntrans-91.8-9.7176.963.80000113.7E54 H55E54-T57 PolarHBondContact O-N 3.14Å; E54-T57 PolarHBondContact O-OG1 2.84Å; H55-T57 PolarHBondContact O-N 2.74Å; H55-T57 VanDerWaalsContact O-N 3.16Å
58I47.2Very low49.9Very low122 Ų122135 Ų13563%0.62670%0.695SS**THydrogen-bonded Turntrans-95.6-21.3-176.4-60.9177000112.1H55H55-I58 PolarHBondContact O-N 3.39Å
59E38.8Very low47.3Very low169 Ų169134.2 Ų134.279%0.7971%0.705SS**THydrogen-bonded Turntrans-87.7-6.6-174.6-66.8-170164.600115.5K61E59-K61 PolarHBondContact O-N 2.81Å
60D38.6Very low44.7Very low153 Ų153132.8 Ų132.882%0.81871%0.713SS**THydrogen-bonded Turntrans-88.922.9177.3-71.5-21.2000113.5
61K35.3Very low41.9Very low188 Ų188132.7 Ų132.782%0.81772%0.716SS**  trans-107.927.1-179.8-105.7-165.8-176.3164.30115.2E59E59-K61 PolarHBondContact O-N 2.81Å
62D28.5Very low39.3Very low151 Ų151139 Ų13981%0.80774%0.736SS**  trans-144.682.3172.5-76.2-44.7000110.9
63F31Very low36.7Very low208 Ų208141.1 Ų141.191%0.91275%0.745SS**  trans-175.672145.2-120.4-92.2000110.6
64C24.3Very low34.8Very low120 Ų120144.2 Ų144.281%0.81176%0.759SS**  trans-106.5115.5155.2-81.10000106.8
65D24.7Very low33.3Very low149 Ų149145.2 Ų145.280%0.79777%0.768SS**  trans164.3100.4144.7-82.9-17.6000109.4
66N28.8Very low32.1Very low159 Ų159145.8 Ų145.885%0.8578%0.776SS**  -164.8117.2114.9-130.2-18.1000112.6
67S28.4Very low30.8Very low95 Ų95149.7 Ų149.766%0.66479%0.791SS**  trans-58.7133.8161.235.50000113.4
68Q35.1Very low30Very low193 Ų193148.7 Ų148.790%0.90279%0.788SS**  -176113.3116.8-97.7178.1-0.200110.8
69S25.4Very low29.3Very low120 Ų120151.9 Ų151.984%0.83980%0.798SS**  trans-84.7131.7177.364.70000111.5
70S28.6Very low28.9Very low115 Ų115147.6 Ų147.680%0.80479%0.787SS**  trans-125.695161.653.20000110.5
71V23.3Very low28.3Very low107 Ų107146 Ų14665%0.64878%0.782SS**  47.1113.5123.5-178.60000119.9
72Y23.3Very low28.1Very low215 Ų215142.6 Ų142.684%0.84378%0.777SS**  trans66.5106.5161.5-52.4-53000120.2
73K27.8Very low28.1Very low201 Ų201141.8 Ų141.887%0.87477%0.773SS**  -170.2133.7100-102.1-176.7179.1-178.30112.3N75K73-N75 PolarHBondContact O-N 3.08Å
74T23.1Very low28.3Very low113 Ų113137.7 Ų137.769%0.69377%0.767SS**  trans-55118.2173.545.50000112.6
75N30.8Very low28.6Very low154 Ų154137 Ų13782%0.82476%0.764SS**  trans-144.394.4150-80.7-31.7000104.6K73 D77K73-N75 PolarHBondContact O-N 3.08Å; N75-D77 PolarHBondContact O-N 2.8Å
76D27.4Very low29.1Very low144 Ų144136 Ų13677%0.7777%0.766SS**  trans-73.767.7-175.4-71.4-42.5000111.4S78D76-S78 VanDerWaalsContact C-N 3.29Å; D76-S78 PolarHBondContact O-N 2.8Å
77D27.7Very low29.4Very low156 Ų156136.5 Ų136.583%0.83477%0.766SS**  trans-94.666156.2-79.8-37.8000108N75 K79N75-D77 PolarHBondContact O-N 2.8Å; D77-K79 PolarHBondContact O-N 2.87Å
78S32.6Very low29.5Very low90 Ų90136.4 Ų136.463%0.62977%0.765SS**  trans-74.684.7168.8450000109D76 S80D76-S78 VanDerWaalsContact C-N 3.29Å; D76-S78 PolarHBondContact O-N 2.8Å; S78-S80 PolarHBondContact O-N 2.79Å
79K32.5Very low29.2Very low189 Ų189134.9 Ų134.982%0.82276%0.764SS**  trans-62.879.2162.3-169.9172.3-174174.90108.3D77 T81D77-K79 PolarHBondContact O-N 2.87Å; K79-T81 PolarHBondContact O-N 3.37Å
80S29.7Very low29.5Very low80 Ų80138.8 Ų138.856%0.55977%0.766SS**  trans-71.797172.462.60000108.7S78 V82S78-S80 PolarHBondContact O-N 2.79Å; S80-V82 VanDerWaalsContact C-N 3.31Å; S80-V82 PolarHBondContact O-N 3.18Å; S80-V82 VanDerWaalsContact O-N 3.07Å
81T25.7Very low29.4Very low118 Ų118141.4 Ų141.472%0.72477%0.765SS**  trans-68.490.8161.1470000107.3K79K79-T81 PolarHBondContact O-N 3.37Å
82V31.9Very low29.8Very low118 Ų118145.5 Ų145.572%0.71578%0.777SS**  trans-95.5104.7166.7-179.10000106S80S80-V82 VanDerWaalsContact C-N 3.31Å; S80-V82 PolarHBondContact O-N 3.18Å; S80-V82 VanDerWaalsContact O-N 3.07Å
83D28.2Very low30Very low134 Ų134141.9 Ų141.972%0.71777%0.773SS**  trans-53.5127172.4-73.1-46.1000110.2S85D83-S85 PolarHBondContact O-N 3.18Å
84P35.5Very low30Very low122 Ų122138 Ų13879%0.79277%0.771SS**  trans-72.8101.917228.1-29.5000108.5
85S29.2Very low30.2Very low106 Ų106138.6 Ų138.674%0.74178%0.779SS**PPolyproline II helixtrans-58.3134.1166.6-44.30000109.5D83 I87D83-S85 PolarHBondContact O-N 3.18Å; S85-I87 PolarHBondContact O-N 2.89Å
86P35.3Very low30.2Very low128 Ų128135 Ų13583%0.83178%0.78SS**PPolyproline II helixtrans-68.1121.2-176.5-1730.1000111.2S88P86-S88 PolarHBondContact O-N 3.32Å
87I35.9Very low30.1Very low168 Ų168137.9 Ų137.986%0.86279%0.785SS**PPolyproline II helixtrans-66.8121.5170.2-67.3171.8000108.3S85S85-I87 PolarHBondContact O-N 2.89Å
88S31.6Very low30.3Very low93 Ų93138 Ų13865%0.6579%0.786SS**PPolyproline II helixtrans-53.5140.9179.550.10000114.5P86 F90P86-S88 PolarHBondContact O-N 3.32Å; S88-F90 PolarHBondContact O-N 3.15Å
89N27.6Very low30.4Very low161 Ų161142.8 Ų142.886%0.86180%0.795SS**PPolyproline II helixtrans-46.3122.1171.4-60.2-30.3000113.1
90F31.5Very low30.3Very low203 Ų203143.6 Ų143.689%0.8980%0.799SS**  trans-92.9115.1154.8-101.4-91.2000108.6S88S88-F90 PolarHBondContact O-N 3.15Å
91Q27.2Very low30.7Very low169 Ų169148.2 Ų148.279%0.7981%0.812SS**  trans-63.8131.8159.6-85.9171.2-91.800108.8
92E32.5Very low31.4Very low193 Ų193151 Ų15190%0.90282%0.816SS**  trans-135.9133.6150.5-146.8171.3-160.500109.9
93N27.1Very low31.8Very low140 Ų140154 Ų15475%0.74982%0.82SS**  trans-76.6140.3-158.6-68.7-41.4000112.6
94S26.1Very low32.4Very low119 Ų119158.1 Ų158.183%0.83283%0.825SS**  trans-72.5123167.254.60000111.9
95S28.1Very low32.8Very low125 Ų125158.6 Ų158.687%0.87483%0.826SS**  trans-160.4117.3150.560.90000110.3
96G30.1Very low33.7Very low80 Ų80159.8 Ų159.883%0.82583%0.828SS**  trans155.876.9176.100000112.3D98G96-D98 PolarHBondContact O-N 3.32Å
97K25.9Very low34.6Very low204 Ų204158.1 Ų158.189%0.88782%0.82SS**  trans-64.1120.9162.5-80170.1172.9164.30107.5
98D32.2Very low35.5Very low159 Ų159155.2 Ų155.285%0.8582%0.815SS**  trans-160.4156.8143.4-94.7-30.9000111.7G96G96-D98 PolarHBondContact O-N 3.32Å
99K33.6Very low36.8Very low190 Ų190157.1 Ų157.183%0.82682%0.822SS**  trans-78.6141.8-143.1-63.5179.5173.8178.80115.1E101K99-E101 PolarHBondContact O-N 3.43Å
100F30.8Very low38.6Very low205 Ų205153.8 Ų153.890%0.89981%0.811SS**  trans-4.9104152.1-89-106000116.5
101E38.5Very low39.8Very low178 Ų178150 Ų15083%0.83280%0.795SS**  trans-132.7128.9134-85.3-150.2163.400109.4K99 K103K99-E101 PolarHBondContact O-N 3.43Å; E101-K103 VanDerWaalsContact C-N 3.29Å; E101-K103 PolarHBondContact O-N 2.89Å
102E40Very low42.1Very low175 Ų175145.5 Ų145.582%0.81878%0.778SS**  trans-69.870.5-168.2-167.6-176.716200112.3R104E102-R104 PolarHBondContact O-N 3.22Å
103K40.2Very low44Very low182 Ų182141.7 Ų141.779%0.79177%0.77SS**  trans-80.6109.8161.9-73.7-179.3-178.5172.60107.4E101 V105E101-K103 VanDerWaalsContact C-N 3.29Å; E101-K103 PolarHBondContact O-N 2.89Å; K103-V105 VanDerWaalsContact C-N 3.29Å; K103-V105 PolarHBondContact O-N 3.02Å
104R41.5Very low46.4Very low220 Ų220145 Ų14583%0.8377%0.772SS**  trans-5391.3175.6-63.6-177.1-171.6131.83.5110E102 V106E102-R104 PolarHBondContact O-N 3.22Å; R104-V106 VanDerWaalsContact C-N 3.33Å; R104-V106 PolarHBondContact O-N 3.05Å
105V43.9Very low48.6Very low132 Ų132142 Ų14280%0.875%0.749SS**  trans-69100.9163.6179.50000104.4K103 S107K103-V105 VanDerWaalsContact C-N 3.29Å; K103-V105 PolarHBondContact O-N 3.02Å; V105-S107 PolarHBondContact O-N 3.28Å
106V48.3Very low50.7Low131 Ų131138.9 Ų138.979%0.79472%0.722SS**  trans-61.896168178.70000105R104 S108R104-V106 VanDerWaalsContact C-N 3.33Å; R104-V106 PolarHBondContact O-N 3.05Å; V106-S108 VanDerWaalsContact C-N 3.32Å; V106-S108 PolarHBondContact O-N 3.13Å
107S53.6Low52.8Low94 Ų94139.3 Ų139.366%0.65771%0.712SS**  trans-58.8101.9170.8170.30000105.9V105 V109V105-S107 PolarHBondContact O-N 3.28Å; S107-V109 PolarHBondContact O-N 3.03Å; S107-V109 VanDerWaalsContact O-N 3.07Å
108S54.8Low55.2Low107 Ų107135 Ų13575%0.74870%0.698SS**  trans-54.1117.8164.5-174.80000105.6V106 S110V106-S108 VanDerWaalsContact C-N 3.32Å; V106-S108 PolarHBondContact O-N 3.13Å; S108-S110 VanDerWaalsContact C-N 3.34Å; S108-S110 PolarHBondContact O-N 3.07Å
109V59.9Low57.4Low133 Ų133132.5 Ų132.581%0.80668%0.68SS**  trans-59.8102-175.5-157.10000106.3S107 F111S107-V109 PolarHBondContact O-N 3.03Å; S107-V109 VanDerWaalsContact O-N 3.07Å; V109-F111 PolarHBondContact O-N 2.88Å; V109-F111 VanDerWaalsContact O-N 3.08Å
110S64.1Low59.2Low91 Ų91126.8 Ų126.864%0.63666%0.658SS**  trans-62.4118.7-176.356.20000107.1S108 V112S108-S110 VanDerWaalsContact C-N 3.34Å; S108-S110 PolarHBondContact O-N 3.07Å; S110-V112 VanDerWaalsContact C-N 3.33Å; S110-V112 WeakPolarHBondContact O-CG2 3.39Å; S110-V112 PolarHBondContact O-N 3.43Å
111F57.8Low61.4Low124 Ų124124.8 Ų124.854%0.54465%0.649SS.*  trans-71.290.8-175.8-154.3-117.5000108.8V109 M116 F119V109-F111 PolarHBondContact O-N 2.88Å; V109-F111 VanDerWaalsContact O-N 3.08Å; F111-M116 HydrophobicContact CD1-CG 3.85Å; F111-M116 HydrophobicContact CD1-SD 4.1Å; F111-M116 HydrophobicContact CE1-CE 3.54Å; F111-M116 HydrophobicContact CE1-CG 3.3Å; F111-M116 HydrophobicContact CE1-SD 2.99Å; F111-M116 WeakPolarHBondContact CE1-SD 3.39Å; F111-M116 HydrophobicContact CE2-SD 4.07Å; F111-M116 HydrophobicContact CZ-CE 3.92Å; F111-M116 HydrophobicContact CZ-CG 3.76Å; F111-M116 HydrophobicContact CZ-SD 2.98Å; F111-M116 WeakPolarHBondContact CZ-SD 3.43Å; F111-F119 HydrophobicContact CE2-CD1 4.4Å; F111-F119 HydrophobicContact CZ-CD1 4.35Å
112V76.1Confident63.3Low73 Ų73123.1 Ų123.144%0.44264%0.641SS.*  trans-75.8128.5-179.7-1670000107.6S110 W114 T115S110-V112 VanDerWaalsContact C-N 3.33Å; S110-V112 WeakPolarHBondContact O-CG2 3.39Å; S110-V112 PolarHBondContact O-N 3.43Å; V112-W114 PolarHBondContact O-N 3.08Å; V112-T115 HydrophobicContact CB-CG2 4.4Å; V112-T115 PolarHBondContact O-N 3.47Å; V112-T115 PolarHBondContact O-OG1 2.85Å
113P71Confident65Low113 Ų113119.7 Ų119.773%0.73463%0.626SS**THydrogen-bonded Turntrans-52-27.7-174.9-30.434.9000115.6M116P113-M116 WeakPolarHBondContact O-CB 3.24Å
114W77.7Confident66.7Low210 Ų210114.4 Ų114.480%0.79561%0.606SS**THydrogen-bonded Turntrans-68-43.2174.5129.85.8000111.7V112 M116 S117V112-W114 PolarHBondContact O-N 3.08Å; W114-M116 PolarHBondContact O-N 2.95Å; W114-M116 VanDerWaalsContact O-N 3.14Å; W114-S117 PolarHBondContact O-N 3.49Å
115T73.2Confident68.2Low56 Ų56106.5 Ų106.534%0.34458%0.58SS.*THydrogen-bonded Turntrans-69.3-14.4-172.7600000112.4V112 S117 L118 F119V112-T115 HydrophobicContact CB-CG2 4.4Å; V112-T115 PolarHBondContact O-N 3.47Å; V112-T115 PolarHBondContact O-OG1 2.85Å; T115-S117 VanDerWaalsContact C-N 3.32Å; T115-S117 PolarHBondContact O-N 3.16Å; T115-L118 PolarHBondContact O-N 3.42Å; T115-F119 PolarHBondContact O-N 3.03Å
116M72.3Confident69.6Low60 Ų60104.5 Ų104.530%0.29657%0.572SS.*Hα-helixtrans-54.3-45174.5-96.5-67.6-109.500113.5F111 P113 W114 L118 F119 L120F111-M116 HydrophobicContact CD1-CG 3.85Å; F111-M116 HydrophobicContact CD1-SD 4.1Å; F111-M116 HydrophobicContact CE1-CE 3.54Å; F111-M116 HydrophobicContact CE1-CG 3.3Å; F111-M116 HydrophobicContact CE1-SD 2.99Å; F111-M116 WeakPolarHBondContact CE1-SD 3.39Å; F111-M116 HydrophobicContact CE2-SD 4.07Å; F111-M116 HydrophobicContact CZ-CE 3.92Å; F111-M116 HydrophobicContact CZ-CG 3.76Å; F111-M116 HydrophobicContact CZ-SD 2.98Å; F111-M116 WeakPolarHBondContact CZ-SD 3.43Å; P113-M116 WeakPolarHBondContact O-CB 3.24Å; W114-M116 PolarHBondContact O-N 2.95Å; W114-M116 VanDerWaalsContact O-N 3.14Å; M116-L118 PolarHBondContact O-N 3.02Å; M116-F119 PolarHBondContact O-N 3.04Å; M116-F119 VanDerWaalsContact O-N 3.15Å; M116-L120 HydrophobicContact CE-CD1 4.16Å; M116-L120 HydrophobicContact CE-CD2 4.15Å; M116-L120 HydrophobicContact CE-CG 4.34Å; M116-L120 WeakPolarHBondContact O-CB 3.46Å; M116-L120 VanDerWaalsContact O-CG 3.24Å; M116-L120 WeakPolarHBondContact O-CG 3.22Å; M116-L120 PolarHBondContact O-N 2.7Å; M116-L120 HydrophobicContact SD-CD1 4.36Å; M116-L120 HydrophobicContact SD-CD2 4.25Å; M116-L120 HydrophobicContact SD-CG 4.12Å
117S74.1Confident70.8Confident88 Ų88104.4 Ų104.462%0.61556%0.561SS**Hα-helixtrans-58.9-37.1-178.4-178.10000111.8W114 T115 K121W114-S117 PolarHBondContact O-N 3.49Å; T115-S117 VanDerWaalsContact C-N 3.32Å; T115-S117 PolarHBondContact O-N 3.16Å; S117-K121 VanDerWaalsContact O-CB 3.22Å; S117-K121 WeakPolarHBondContact O-CB 3.16Å; S117-K121 PolarHBondContact O-N 3.44Å
118L76.6Confident71.6Confident115 Ų115104.9 Ų104.960%0.60256%0.556SS**Hα-helixtrans-70.2-44.6177.2-68.5172.5000111.9T115 M116 K121 E122T115-L118 PolarHBondContact O-N 3.42Å; M116-L118 PolarHBondContact O-N 3.02Å; L118-K121 PolarHBondContact O-N 3.28Å; L118-E122 WeakPolarHBondContact O-CB 3.37Å; L118-E122 PolarHBondContact O-N 3.45Å
119F76.9Confident72.3Confident106 Ų106105.4 Ų105.447%0.46555%0.549SS..Hα-helixtrans-63.6-43.5178.3-177.1-105.2000112.1F111 T115 M116 K121 E122 M123F111-F119 HydrophobicContact CE2-CD1 4.4Å; F111-F119 HydrophobicContact CZ-CD1 4.35Å; T115-F119 PolarHBondContact O-N 3.03Å; M116-F119 PolarHBondContact O-N 3.04Å; M116-F119 VanDerWaalsContact O-N 3.15Å; F119-K121 VanDerWaalsContact C-N 3.32Å; F119-K121 PolarHBondContact O-N 3.33Å; F119-E122 PolarHBondContact O-N 3.31Å; F119-M123 HydrophobicContact CD1-CG 4.47Å; F119-M123 HydrophobicContact CD1-SD 3.87Å; F119-M123 HydrophobicContact CE1-CG 4.14Å; F119-M123 HydrophobicContact CE1-SD 3.16Å; F119-M123 WeakPolarHBondContact CE1-SD 2.98Å; F119-M123 HydrophobicContact CE2-CG 4.45Å; F119-M123 HydrophobicContact CE2-SD 4.28Å; F119-M123 HydrophobicContact CZ-CG 4.12Å; F119-M123 HydrophobicContact CZ-SD 3.41Å; F119-M123 WeakPolarHBondContact CZ-SD 3.41Å; F119-M123 WeakPolarHBondContact O-CG 2.99Å; F119-M123 PolarHBondContact O-N 3.08Å
120L72.4Confident72.9Confident70 Ų70104.2 Ų104.237%0.36655%0.547SS..Hα-helixtrans-66.1-35.3177.5-62.9178.8000112M116 D124 I125M116-L120 HydrophobicContact CE-CD1 4.16Å; M116-L120 HydrophobicContact CE-CD2 4.15Å; M116-L120 HydrophobicContact CE-CG 4.34Å; M116-L120 WeakPolarHBondContact O-CB 3.46Å; M116-L120 VanDerWaalsContact O-CG 3.24Å; M116-L120 WeakPolarHBondContact O-CG 3.22Å; M116-L120 PolarHBondContact O-N 2.7Å; M116-L120 HydrophobicContact SD-CD1 4.36Å; M116-L120 HydrophobicContact SD-CD2 4.25Å; M116-L120 HydrophobicContact SD-CG 4.12Å; L120-D124 PolarHBondContact O-N 3.09Å; L120-I125 HydrophobicContact CB-CD1 3.74Å; L120-I125 HydrophobicContact CD2-CD1 3.22Å; L120-I125 HydrophobicContact CG-CD1 4Å; L120-I125 WeakPolarHBondContact O-CG1 3.4Å
121K76.6Confident73.3Confident162 Ų162107.5 Ų107.570%0.70455%0.552SS**Hα-helixtrans-68.1-42.5174.1-174.7177.7-179.6-1790111.7S117 L118 F119 M123 D124S117-K121 VanDerWaalsContact O-CB 3.22Å; S117-K121 WeakPolarHBondContact O-CB 3.16Å; S117-K121 PolarHBondContact O-N 3.44Å; L118-K121 PolarHBondContact O-N 3.28Å; F119-K121 VanDerWaalsContact C-N 3.32Å; F119-K121 PolarHBondContact O-N 3.33Å; K121-M123 VanDerWaalsContact C-N 3.31Å; K121-M123 PolarHBondContact O-N 3.2Å; K121-D124 PolarHBondContact O-N 2.93Å
122E79Confident73.6Confident144 Ų144107.2 Ų107.267%0.67355%0.548SS*.Hα-helixtrans-63.4-38.6175.9-171.564.4-156.800111.6L118 F119 D124L118-E122 WeakPolarHBondContact O-CB 3.37Å; L118-E122 PolarHBondContact O-N 3.45Å; F119-E122 PolarHBondContact O-N 3.31Å; E122-D124 PolarHBondContact O-N 3.18Å; E122-D124 VanDerWaalsContact O-N 3.16Å
123M75.8Confident73.3Confident102 Ų102107.5 Ų107.550%0.50255%0.553SS.*THydrogen-bonded Turntrans-71-0.8174.2-71.4-17078.600113.9F119 K121 I125F119-M123 HydrophobicContact CD1-CG 4.47Å; F119-M123 HydrophobicContact CD1-SD 3.87Å; F119-M123 HydrophobicContact CE1-CG 4.14Å; F119-M123 HydrophobicContact CE1-SD 3.16Å; F119-M123 WeakPolarHBondContact CE1-SD 2.98Å; F119-M123 HydrophobicContact CE2-CG 4.45Å; F119-M123 HydrophobicContact CE2-SD 4.28Å; F119-M123 HydrophobicContact CZ-CG 4.12Å; F119-M123 HydrophobicContact CZ-SD 3.41Å; F119-M123 WeakPolarHBondContact CZ-SD 3.41Å; F119-M123 WeakPolarHBondContact O-CG 2.99Å; F119-M123 PolarHBondContact O-N 3.08Å; K121-M123 VanDerWaalsContact C-N 3.31Å; K121-M123 PolarHBondContact O-N 3.2Å; M123-I125 HydrophobicContact CB-CD1 4.17Å; M123-I125 HydrophobicContact CB-CG1 3.72Å; M123-I125 PolarHBondContact O-N 3.03Å
124D74.8Confident73.4Confident71 Ų71111.9 Ų111.938%0.3856%0.564SS.*THydrogen-bonded Turntrans48.438.3175.7-122.2-9.4000112.1L120 K121 E122 S126 K127L120-D124 PolarHBondContact O-N 3.09Å; K121-D124 PolarHBondContact O-N 2.93Å; E122-D124 PolarHBondContact O-N 3.18Å; E122-D124 VanDerWaalsContact O-N 3.16Å; D124-S126 PolarHBondContact O-N 2.87Å; D124-K127 HydrophobicContact CB-CD 4.32Å; D124-K127 WeakPolarHBondContact O-CB 3.47Å; D124-K127 PolarHBondContact O-N 3.07Å; D124-K127 WeakPolarHBondContact OD2-CD 3.43Å; D124-K127 VanDerWaalsContact OD2-CE 3.26Å; D124-K127 WeakPolarHBondContact OD2-CE 3.39Å; D124-K127 IonicContact OD2-NZ 2.7Å; D124-K127 PolarHBondContact OD2-NZ 2.81Å
125I72.4Confident73.3Confident54 Ų54105.2 Ų105.228%0.27755%0.549SS..Hα-helixtrans-57.5-29.8-167.5-63.2174.3000112.2L120 M123 K127 L128 L129L120-I125 HydrophobicContact CB-CD1 3.74Å; L120-I125 HydrophobicContact CD2-CD1 3.22Å; L120-I125 HydrophobicContact CG-CD1 4Å; L120-I125 WeakPolarHBondContact O-CG1 3.4Å; M123-I125 HydrophobicContact CB-CD1 4.17Å; M123-I125 HydrophobicContact CB-CG1 3.72Å; M123-I125 PolarHBondContact O-N 3.03Å; I125-K127 VanDerWaalsContact C-N 3.26Å; I125-K127 PolarHBondContact O-N 3.46Å; I125-L128 WeakPolarHBondContact O-CB 3.42Å; I125-L128 PolarHBondContact O-N 2.83Å; I125-L128 VanDerWaalsContact O-N 3.09Å; I125-L129 HydrophobicContact CG2-CD1 4.28Å; I125-L129 HydrophobicContact CG2-CG 4.25Å; I125-L129 WeakPolarHBondContact O-CG 3.43Å; I125-L129 PolarHBondContact O-N 2.86Å
126S73.4Confident73.7Confident91 Ų91108.2 Ų108.264%0.63657%0.569SS**Hα-helixtrans-55.9-39.9174.1-47.50000112.3D124 L129 S130D124-S126 PolarHBondContact O-N 2.87Å; S126-L129 PolarHBondContact O-N 2.91Å; S126-S130 PolarHBondContact O-N 3.26Å; S126-S130 VanDerWaalsContact O-N 3.08Å; S126-S130 PolarHBondContact O-OG 3.44Å
127K74.7Confident74.2Confident128 Ų128112 Ų11256%0.55759%0.586SS**Hα-helixtrans-68.6-38.4176.1-67.8-179.8-176.1162.80111.7D124 I125 L129 S130 E131D124-K127 HydrophobicContact CB-CD 4.32Å; D124-K127 WeakPolarHBondContact O-CB 3.47Å; D124-K127 PolarHBondContact O-N 3.07Å; D124-K127 WeakPolarHBondContact OD2-CD 3.43Å; D124-K127 VanDerWaalsContact OD2-CE 3.26Å; D124-K127 WeakPolarHBondContact OD2-CE 3.39Å; D124-K127 IonicContact OD2-NZ 2.7Å; D124-K127 PolarHBondContact OD2-NZ 2.81Å; I125-K127 VanDerWaalsContact C-N 3.26Å; I125-K127 PolarHBondContact O-N 3.46Å; K127-L129 VanDerWaalsContact C-N 3.29Å; K127-L129 PolarHBondContact O-N 3.05Å; K127-S130 PolarHBondContact O-N 3.34Å; K127-E131 WeakPolarHBondContact O-CB 3.26Å; K127-E131 PolarHBondContact O-N 2.88Å
128L70.1Confident74.9Confident105 Ų105114.5 Ų114.555%0.5559%0.586SS.*Hα-helixtrans-65.2-36178.2-75.4-86.1000111I125 R132I125-L128 WeakPolarHBondContact O-CB 3.42Å; I125-L128 PolarHBondContact O-N 2.83Å; I125-L128 VanDerWaalsContact O-N 3.09Å; L128-R132 PolarHBondContact O-N 2.74Å
129L69.6Low75.6Confident117 Ų117112 Ų11261%0.61358%0.579SS**Hα-helixtrans-69.8-38.8173.4-67174.5000111.9I125 S126 K127 R132I125-L129 HydrophobicContact CG2-CD1 4.28Å; I125-L129 HydrophobicContact CG2-CG 4.25Å; I125-L129 WeakPolarHBondContact O-CG 3.43Å; I125-L129 PolarHBondContact O-N 2.86Å; S126-L129 PolarHBondContact O-N 2.91Å; K127-L129 VanDerWaalsContact C-N 3.29Å; K127-L129 PolarHBondContact O-N 3.05Å; L129-R132 WeakPolarHBondContact O-CB 3.35Å; L129-R132 PolarHBondContact O-N 3.16Å
130S73Confident76.3Confident108 Ų108114.2 Ų114.276%0.75559%0.588SS**Hα-helixtrans-72.2-29.5176.7-61.80000114S126 K127 R132S126-S130 PolarHBondContact O-N 3.26Å; S126-S130 VanDerWaalsContact O-N 3.08Å; S126-S130 PolarHBondContact O-OG 3.44Å; K127-S130 PolarHBondContact O-N 3.34Å; S130-R132 VanDerWaalsContact C-N 3.27Å
131E71.4Confident77.1Confident160 Ų160114.1 Ų114.175%0.74859%0.592SS**THydrogen-bonded Turntrans-80.8-7.2177-167.6174.1-175.100112.8K127 S133K127-E131 WeakPolarHBondContact O-CB 3.26Å; K127-E131 PolarHBondContact O-N 2.88Å; E131-S133 PolarHBondContact O-N 3.2Å
132R65.4Low77.7Confident118 Ų118107.8 Ų107.845%0.44557%0.567SS.*  trans-61.9104.6179.1-168.3172.5-163-179.44.3110L128 L129 S130 E137L128-R132 PolarHBondContact O-N 2.74Å; L129-R132 WeakPolarHBondContact O-CB 3.35Å; L129-R132 PolarHBondContact O-N 3.16Å; S130-R132 VanDerWaalsContact C-N 3.27Å; R132-E137 IonicContact CZ-OE1 3.29Å; R132-E137 VanDerWaalsContact CZ-OE1 3.29Å; R132-E137 IonicContact CZ-OE2 3.18Å; R132-E137 IonicContact NH1-OE1 2.74Å; R132-E137 PolarHBondContact NH1-OE1 3.4Å; R132-E137 IonicContact NH1-OE2 2.81Å; R132-E137 PolarHBondContact NH1-OE2 3.36Å; R132-E137 IonicContact NH2-OE1 3.67Å; R132-E137 IonicContact NH2-OE2 2.83Å; R132-E137 PolarHBondContact NH2-OE2 2.72Å
133S69.4Low78.4Confident80 Ų80105.5 Ų105.556%0.55956%0.559SS**  trans-60.4152.6173.958.10000110.9E131 S135E131-S133 PolarHBondContact O-N 3.2Å; S133-S135 PolarHBondContact O-N 3Å
134E73Confident79.1Confident205 Ų205103.7 Ų103.796%0.95855%0.551SS**SBendtrans-60.210.4-178.3-58.7-170.1172.800115.1
135S74.5Confident79.9Confident70 Ų70103.1 Ų103.149%0.4954%0.543SS..SBendtrans-63.5140.2171.568.70000110.7S133 E137S133-S135 PolarHBondContact O-N 3Å; S135-E137 PolarHBondContact O-N 2.91Å
136P81.7Confident80.8Confident118 Ų118106.8 Ų106.877%0.76656%0.555SS**PPolyproline II helixtrans-58.4136-178.624.2-34.1000110.4K138P136-K138 PolarHBondContact O-N 3.41Å; P136-K138 VanDerWaalsContact O-N 3.16Å
137E83.2Confident81.8Confident140 Ų140103.8 Ų103.865%0.65453%0.534SS*.PPolyproline II helixtrans-58.8119.1179.8-53.7-153.4178.200110.7R132 S135 S139R132-E137 IonicContact CZ-OE1 3.29Å; R132-E137 VanDerWaalsContact CZ-OE1 3.29Å; R132-E137 IonicContact CZ-OE2 3.18Å; R132-E137 IonicContact NH1-OE1 2.74Å; R132-E137 PolarHBondContact NH1-OE1 3.4Å; R132-E137 IonicContact NH1-OE2 2.81Å; R132-E137 PolarHBondContact NH1-OE2 3.36Å; R132-E137 IonicContact NH2-OE1 3.67Å; R132-E137 IonicContact NH2-OE2 2.83Å; R132-E137 PolarHBondContact NH2-OE2 2.72Å; S135-E137 PolarHBondContact O-N 2.91Å; E137-S139 PolarHBondContact O-N 3.16Å
138K88.4Confident82.6Confident140 Ų140102.5 Ų102.561%0.60954%0.538SS*.PPolyproline II helixtrans-67131.6172.7-67.7177-175.6170.10109P136 T142 L143P136-K138 PolarHBondContact O-N 3.41Å; P136-K138 VanDerWaalsContact O-N 3.16Å; K138-T142 HydrophobicContact CB-CG2 4.49Å; K138-L143 HydrophobicContact CB-CD2 3.88Å; K138-L143 HydrophobicContact CB-CG 4.01Å; K138-L143 HydrophobicContact CD-CD2 4.12Å
139S91.1Very high83.6Confident64 Ų64106.8 Ų106.845%0.44855%0.553SS.*PPolyproline II helixtrans-61149.7174.1660000111.5E137 T142 L143E137-S139 PolarHBondContact O-N 3.16Å; S139-T142 WeakPolarHBondContact O-CA 3.16Å; S139-T142 VanDerWaalsContact O-CB 3.29Å; S139-T142 WeakPolarHBondContact O-CB 3.31Å; S139-T142 PolarHBondContact O-N 2.86Å; S139-T142 PolarHBondContact OG-OG1 3.44Å; S139-L143 PolarHBondContact O-N 3.5Å
140F91.9Very high84.6Confident151 Ų151104.5 Ų104.566%0.66254%0.54SS*.Hα-helixtrans-51.3-45.2177.7173.5-96.1000113.5T142 L143 L144F140-T142 PolarHBondContact O-N 2.83Å; F140-L143 PolarHBondContact O-N 3.49Å; F140-L143 VanDerWaalsContact O-N 3.16Å; F140-L144 HydrophobicContact CE1-CB 4.49Å; F140-L144 HydrophobicContact CE1-CD1 3.67Å; F140-L144 HydrophobicContact CZ-CD1 3.63Å; F140-L144 VanDerWaalsContact O-CB 3.31Å; F140-L144 WeakPolarHBondContact O-CB 3.29Å; F140-L144 PolarHBondContact O-N 3.39Å
141P88.9Confident85.3Confident68 Ų68106.5 Ų106.544%0.44254%0.538SS..Hα-helixtrans-58.3-34.3175.9-25.835.4000112.9R145P141-R145 VanDerWaalsContact O-CG 3.29Å; P141-R145 WeakPolarHBondContact O-CG 3.02Å; P141-R145 PolarHBondContact O-N 3.07Å; P141-R145 VanDerWaalsContact O-N 3.08Å; P141-R145 PolarHBondContact O-NH1 3.24Å
142T90Very high86.1Confident30 Ų30102.8 Ų102.818%0.18452%0.523CS..Hα-helixtrans-69.9-48.6176.8-54.40000110.7K138 S139 F140 L144 R145 Y146K138-T142 HydrophobicContact CB-CG2 4.49Å; S139-T142 WeakPolarHBondContact O-CA 3.16Å; S139-T142 VanDerWaalsContact O-CB 3.29Å; S139-T142 WeakPolarHBondContact O-CB 3.31Å; S139-T142 PolarHBondContact O-N 2.86Å; S139-T142 PolarHBondContact OG-OG1 3.44Å; F140-T142 PolarHBondContact O-N 2.83Å; T142-L144 VanDerWaalsContact C-N 3.27Å; T142-L144 PolarHBondContact O-N 2.82Å; T142-R145 PolarHBondContact O-N 3.02Å; T142-R145 PolarHBondContact OG1-NH2 3.44Å; T142-Y146 HydrophobicContact CG2-CD2 3.83Å; T142-Y146 HydrophobicContact CG2-CE2 3.79Å; T142-Y146 WeakPolarHBondContact O-CD2 3.23Å; T142-Y146 PolarHBondContact O-N 3.5Å; T142-Y146 VanDerWaalsContact O-N 3.15Å
143L93Very high87.2Confident95 Ų9597.4 Ų97.450%0.49750%0.504SS..Hα-helixtrans-56.3-43.5174.9-67.3174000111.8K138 S139 F140 R145 Y146 S147K138-L143 HydrophobicContact CB-CD2 3.88Å; K138-L143 HydrophobicContact CB-CG 4.01Å; K138-L143 HydrophobicContact CD-CD2 4.12Å; S139-L143 PolarHBondContact O-N 3.5Å; F140-L143 PolarHBondContact O-N 3.49Å; F140-L143 VanDerWaalsContact O-N 3.16Å; L143-R145 PolarHBondContact O-N 2.89Å; L143-Y146 CarbonylContact O-C 3.6Å; L143-Y146 PolarHBondContact O-N 3.22Å; L143-S147 PolarHBondContact O-N 3.45Å
144L92Very high88.2Confident65 Ų6596.8 Ų96.834%0.3450%0.495SS..Hα-helixtrans-61.2-45178.9-175.2139.5000111.7F140 T142 Y146 S147 I150F140-L144 HydrophobicContact CE1-CB 4.49Å; F140-L144 HydrophobicContact CE1-CD1 3.67Å; F140-L144 HydrophobicContact CZ-CD1 3.63Å; F140-L144 VanDerWaalsContact O-CB 3.31Å; F140-L144 WeakPolarHBondContact O-CB 3.29Å; F140-L144 PolarHBondContact O-N 3.39Å; T142-L144 VanDerWaalsContact C-N 3.27Å; T142-L144 PolarHBondContact O-N 2.82Å; L144-Y146 PolarHBondContact O-N 2.92Å; L144-S147 WeakPolarHBondContact O-CB 3.42Å; L144-S147 PolarHBondContact O-N 2.9Å; L144-I150 HydrophobicContact CD1-CD1 4.14Å; L144-I150 HydrophobicContact CD2-CD1 3.57Å; L144-I150 HydrophobicContact CD2-CG2 4.44Å; L144-I150 HydrophobicContact CG-CD1 3.45Å; L144-I150 VanDerWaalsContact CG-CD1 3.45Å; L144-I150 WeakPolarHBondContact O-CB 3.29Å
145R91Very high88.8Confident59 Ų5988.1 Ų88.122%0.22345%0.454CS..Hα-helixtrans-65-36.6178-72.6-174.1-51.5-92.12.9113.9P141 T142 L143 S147 Q151 L152 G153 F155P141-R145 VanDerWaalsContact O-CG 3.29Å; P141-R145 WeakPolarHBondContact O-CG 3.02Å; P141-R145 PolarHBondContact O-N 3.07Å; P141-R145 VanDerWaalsContact O-N 3.08Å; P141-R145 PolarHBondContact O-NH1 3.24Å; T142-R145 PolarHBondContact O-N 3.02Å; T142-R145 PolarHBondContact OG1-NH2 3.44Å; L143-R145 PolarHBondContact O-N 2.89Å; R145-S147 VanDerWaalsContact C-N 3.29Å; R145-Q151 CarbonylContact O-C 3.6Å; R145-L152 HydrophobicContact CB-CB 4.35Å; R145-L152 HydrophobicContact CG-CB 4.35Å; R145-L152 PolarHBondContact O-N 2.88Å; R145-L152 VanDerWaalsContact O-N 3.07Å; R145-G153 WeakPolarHBondContact CB-O 3.41Å; R145-G153 WeakPolarHBondContact CD-O 3.25Å; R145-G153 PolarHBondContact NE-O 2.87Å; R145-G153 PolarHBondContact O-N 3.08Å; R145-F155 HydrophobicContact CG-CE2 4.14Å; R145-F155 HydrophobicContact CG-CZ 4.49Å
146Y91.7Very high89Confident131 Ų13194.6 Ų94.651%0.51447%0.467SS..THydrogen-bonded Turntrans-89.54.3178.1-70.4-77.8000113.1T142 L143 L144 N154T142-Y146 HydrophobicContact CG2-CD2 3.83Å; T142-Y146 HydrophobicContact CG2-CE2 3.79Å; T142-Y146 WeakPolarHBondContact O-CD2 3.23Å; T142-Y146 PolarHBondContact O-N 3.5Å; T142-Y146 VanDerWaalsContact O-N 3.15Å; L143-Y146 CarbonylContact O-C 3.6Å; L143-Y146 PolarHBondContact O-N 3.22Å; L144-Y146 PolarHBondContact O-N 2.92Å; Y146-N154 WeakPolarHBondContact OH-CB 3.26Å
147S94.1Very high88.8Confident28 Ų2892.8 Ų92.820%0.19646%0.458CS..SBendtrans-61.9139.1176.4175.60000110.3L143 L144 R145 F149 I150 Q151L143-S147 PolarHBondContact O-N 3.45Å; L144-S147 WeakPolarHBondContact O-CB 3.42Å; L144-S147 PolarHBondContact O-N 2.9Å; R145-S147 VanDerWaalsContact C-N 3.29Å; S147-F149 PolarHBondContact O-N 3.35Å; S147-F149 PolarHBondContact OG-N 2.84Å; S147-I150 PolarHBondContact O-N 2.96Å; S147-Q151 PolarHBondContact O-N 3.15Å
148P91.7Very high89.1Confident100 Ų10091.3 Ų91.365%0.64945%0.446SS*.THydrogen-bonded Turntrans-54.5-22.2173.4-2634.6000114.2Q151P148-Q151 VanDerWaalsContact O-CG 3.26Å; P148-Q151 WeakPolarHBondContact O-CG 3.4Å; P148-Q151 PolarHBondContact O-NE2 3.21Å
149F90.3Very high89.3Confident195 Ų19591.1 Ų91.186%0.85545%0.448SS*.THydrogen-bonded Turntrans-87.3-21.5-179.3-62.3-70.1000114.2S147S147-F149 PolarHBondContact O-N 3.35Å; S147-F149 PolarHBondContact OG-N 2.84Å
150I90.6Very high89.4Confident69 Ų6990.8 Ų90.835%0.35444%0.44SS..THydrogen-bonded Turntrans-113.5-41-172.7-71.8167.2000111.2L144 S147 L152L144-I150 HydrophobicContact CD1-CD1 4.14Å; L144-I150 HydrophobicContact CD2-CD1 3.57Å; L144-I150 HydrophobicContact CD2-CG2 4.44Å; L144-I150 HydrophobicContact CG-CD1 3.45Å; L144-I150 VanDerWaalsContact CG-CD1 3.45Å; L144-I150 WeakPolarHBondContact O-CB 3.29Å; S147-I150 PolarHBondContact O-N 2.96Å; I150-L152 HydrophobicContact CG2-CB 4.04Å; I150-L152 HydrophobicContact CG2-CD1 3.46Å; I150-L152 VanDerWaalsContact CG2-CD1 3.46Å; I150-L152 HydrophobicContact CG2-CG 3.49Å; I150-L152 VanDerWaalsContact CG2-CG 3.49Å; I150-L152 PolarHBondContact O-N 3.34Å
151Q88.9Confident89.6Confident150 Ų15085 Ų8570%0.70142%0.416SS*.  trans54.918.1170.2-53.2-176.4-700116R145 S147 P148 G153R145-Q151 CarbonylContact O-C 3.6Å; S147-Q151 PolarHBondContact O-N 3.15Å; P148-Q151 VanDerWaalsContact O-CG 3.26Å; P148-Q151 WeakPolarHBondContact O-CG 3.4Å; P148-Q151 PolarHBondContact O-NE2 3.21Å; Q151-G153 VanDerWaalsContact C-N 3.29Å; Q151-G153 PolarHBondContact O-N 2.83Å
152L87.4Confident89.9Confident82 Ų8281.9 Ų81.943%0.42940%0.396SS..  trans-64.2-36.1177.8-71.6172000111.8R145 I150 F155 R158R145-L152 HydrophobicContact CB-CB 4.35Å; R145-L152 HydrophobicContact CG-CB 4.35Å; R145-L152 PolarHBondContact O-N 2.88Å; R145-L152 VanDerWaalsContact O-N 3.07Å; I150-L152 HydrophobicContact CG2-CB 4.04Å; I150-L152 HydrophobicContact CG2-CD1 3.46Å; I150-L152 VanDerWaalsContact CG2-CD1 3.46Å; I150-L152 HydrophobicContact CG2-CG 3.49Å; I150-L152 VanDerWaalsContact CG2-CG 3.49Å; I150-L152 PolarHBondContact O-N 3.34Å; L152-F155 HydrophobicContact CB-CE1 3.92Å; L152-F155 HydrophobicContact CB-CZ 3.6Å; L152-F155 HydrophobicContact CD1-CZ 4.01Å; L152-F155 HydrophobicContact CD2-CE1 4.28Å; L152-F155 HydrophobicContact CD2-CZ 4.27Å; L152-F155 HydrophobicContact CG-CZ 4.16Å; L152-R158 VanDerWaalsContact O-CZ 3.3Å; L152-R158 PolarHBondContact O-NH1 3.39Å; L152-R158 PolarHBondContact O-NH2 2.99Å
153G89Confident90.2Very high6 Ų682.1 Ų82.16%0.06240%0.397CS..  trans67-144.5178.700000114.1R145 Q151R145-G153 WeakPolarHBondContact CB-O 3.41Å; R145-G153 WeakPolarHBondContact CD-O 3.25Å; R145-G153 PolarHBondContact NE-O 2.87Å; R145-G153 PolarHBondContact O-N 3.08Å; Q151-G153 VanDerWaalsContact C-N 3.29Å; Q151-G153 PolarHBondContact O-N 2.83Å
154N89.1Confident90.4Very high67 Ų6777.6 Ų77.636%0.35837%0.374SS..  trans-98.6119.9-178.6-176.813.7000111.7Y146 R156 R158Y146-N154 WeakPolarHBondContact OH-CB 3.26Å; N154-R156 WeakPolarHBondContact OD1-CB 3.43Å; N154-R156 PolarHBondContact OD1-N 3.07Å; N154-R158 VanDerWaalsContact O-CD 3.24Å; N154-R158 WeakPolarHBondContact O-CD 3.37Å; N154-R158 VanDerWaalsContact O-CG 3.31Å; N154-R158 WeakPolarHBondContact O-CG 3.47Å; N154-R158 PolarHBondContact O-NE 3.42Å
155F85.7Confident90.6Very high22 Ų2276.6 Ų76.610%0.09637%0.368CS..  trans-79.1-24.8177.6-52.4-62.3000114.2R145 L152 S157 R158 L203 K204 P206R145-F155 HydrophobicContact CG-CE2 4.14Å; R145-F155 HydrophobicContact CG-CZ 4.49Å; L152-F155 HydrophobicContact CB-CE1 3.92Å; L152-F155 HydrophobicContact CB-CZ 3.6Å; L152-F155 HydrophobicContact CD1-CZ 4.01Å; L152-F155 HydrophobicContact CD2-CE1 4.28Å; L152-F155 HydrophobicContact CD2-CZ 4.27Å; L152-F155 HydrophobicContact CG-CZ 4.16Å; F155-S157 PolarHBondContact O-N 2.8Å; F155-R158 PolarHBondContact O-N 2.89Å; F155-L203 HydrophobicContact CB-CD2 4.37Å; F155-L203 HydrophobicContact CB-CG 4.5Å; F155-L203 HydrophobicContact CD1-CD2 3.84Å; F155-L203 HydrophobicContact CG-CD2 4.34Å; F155-K204 WeakPolarHBondContact CB-O 3.21Å; F155-P206 VanDerWaalsContact CD2-CD 3.43Å; F155-P206 HydrophobicContact CD2-CG 3.95Å; F155-P206 HydrophobicContact CE1-CG 4.26Å; F155-P206 VanDerWaalsContact CE2-CD 3.48Å; F155-P206 HydrophobicContact CE2-CG 3.44Å; F155-P206 VanDerWaalsContact CE2-CG 3.44Å; F155-P206 HydrophobicContact CZ-CB 4.38Å; F155-P206 HydrophobicContact CZ-CG 3.62Å
156R80Confident90.8Very high206 Ų20677.6 Ų77.678%0.77738%0.378SS*.THydrogen-bonded Turntrans-55111.4-174-72.7-172.8177.6176.5-0.2109.9N154N154-R156 WeakPolarHBondContact OD1-CB 3.43Å; N154-R156 PolarHBondContact OD1-N 3.07Å
157S77.4Confident90.9Very high81 Ų8172.7 Ų72.757%0.56636%0.361SS*.THydrogen-bonded Turntrans69.925.4178.1-49.40000115.8F155F155-S157 PolarHBondContact O-N 2.8Å
158R89.1Confident90.8Very high109 Ų10973.9 Ų73.941%0.41137%0.367SS..EExtended strand (participates in β ladder)trans-75127.1166.6-71.4-165.7177.7-179.36110.1L152 N154 F155 R202 L203L152-R158 VanDerWaalsContact O-CZ 3.3Å; L152-R158 PolarHBondContact O-NH1 3.39Å; L152-R158 PolarHBondContact O-NH2 2.99Å; N154-R158 VanDerWaalsContact O-CD 3.24Å; N154-R158 WeakPolarHBondContact O-CD 3.37Å; N154-R158 VanDerWaalsContact O-CG 3.31Å; N154-R158 WeakPolarHBondContact O-CG 3.47Å; N154-R158 PolarHBondContact O-NE 3.42Å; F155-R158 PolarHBondContact O-N 2.89Å; R158-R202 CarbonylContact O-C 3.5Å; R158-R202 WeakPolarHBondContact O-CA 3.27Å; R158-L203 PolarHBondContact O-N 3.39Å
159E93.1Very high90.7Very high136 Ų13675.7 Ų75.764%0.63637%0.371SS*.EExtended strand (participates in β ladder)trans-89.4129.8172.9-60.8-176.1172.500109.1I201 L229E159-I201 CarbonylContact C-O 3.55Å; E159-I201 WeakPolarHBondContact CA-O 3.49Å; E159-L229 HydrophobicContact CG-CD1 3.92Å
160L93.3Very high90.7Very high56 Ų5671.3 Ų71.329%0.29336%0.357SS..EExtended strand (participates in β ladder)trans-130.2153.2-179.2-60.1175.3000108.8F177 I201 L203L160-F177 HydrophobicContact CD1-CD2 3.74Å; L160-F177 HydrophobicContact CD1-CE2 4.32Å; L160-F177 HydrophobicContact CD1-CG 4.35Å; L160-I201 HydrophobicContact CB-CG1 4.06Å; L160-I201 PolarHBondContact N-O 2.96Å; L160-I201 PolarHBondContact O-N 2.96Å; L160-L203 HydrophobicContact CD1-CB 3.96Å; L160-L203 HydrophobicContact CD1-CD2 3.8Å; L160-L203 HydrophobicContact CD1-CG 4.43Å
161I94.7Very high90.8Very high31 Ų3171.3 Ų71.316%0.15936%0.36CS..EExtended strand (participates in β ladder)trans-89.9133.9167.3-57.2170.4000107L198 V199 Y232 L273I161-L198 HydrophobicContact CG2-CD2 3.99Å; I161-V199 CarbonylContact C-O 3.57Å; I161-V199 WeakPolarHBondContact CA-O 3.22Å; I161-Y232 HydrophobicContact CD1-CD2 3.67Å; I161-Y232 HydrophobicContact CD1-CE1 4.32Å; I161-Y232 HydrophobicContact CD1-CE2 3.27Å; I161-Y232 HydrophobicContact CD1-CG 4.36Å; I161-Y232 HydrophobicContact CG1-CD2 3.77Å; I161-Y232 HydrophobicContact CG1-CE2 3.82Å; I161-L273 HydrophobicContact CD1-CD1 3.59Å; I161-L273 HydrophobicContact CD1-CD2 4.01Å; I161-L273 HydrophobicContact CD1-CG 3.64Å; I161-L273 HydrophobicContact CG1-CD1 3.79Å; I161-L273 HydrophobicContact CG1-CG 4.4Å
162G95.9Very high91.1Very high2 Ų266.8 Ų66.82%0.02134%0.34CS..EExtended strand (participates in β ladder)trans-125.7162.8169.300000111.8D176 L198 V199G162-D176 CarbonylContact C-O 3.55Å; G162-D176 WeakPolarHBondContact CA-O 3.31Å; G162-L198 WeakPolarHBondContact O-CA 3.3Å; G162-V199 PolarHBondContact N-O 3.4Å; G162-V199 WeakPolarHBondContact O-CG2 3.32Å; G162-V199 PolarHBondContact O-N 3.35Å
163V96.1Very high91.5Very high34 Ų3462.9 Ų62.921%0.20632%0.32CS..EExtended strand (participates in β ladder)trans-106.5130.2173.2-178.80000108I165 I175 D176 S197 L198 L268V163-I165 PolarHBondContact O-N 3.06Å; V163-I175 CarbonylContact O-C 3.6Å; V163-I175 WeakPolarHBondContact O-CA 3.37Å; V163-D176 PolarHBondContact N-O 3.28Å; V163-D176 PolarHBondContact O-N 3.28Å; V163-S197 WeakPolarHBondContact CA-O 3.35Å; V163-L198 HydrophobicContact CG2-CD2 3.65Å; V163-L268 HydrophobicContact CG2-CD2 4.34Å
164V96.7Very high91.8Very high0 Ų066.4 Ų66.40%033%0.332CS..EExtended strand (participates in β ladder)trans-69.9111.4172.2178.30000108.2L173 Y174 I175 G196 S197 V199V164-L173 HydrophobicContact CG1-CD2 4.26Å; V164-Y174 CarbonylContact C-O 3.4Å; V164-I175 HydrophobicContact CG2-CG1 4.12Å; V164-G196 PolarHBondContact O-N 3.26Å; V164-S197 PolarHBondContact N-O 2.63Å; V164-V199 HydrophobicContact CG2-CG1 3.68Å; V164-V199 HydrophobicContact CG2-CG2 4.03Å
165I96.1Very high92.2Very high45 Ų4563.2 Ų63.223%0.23132%0.315CS..EExtended strand (participates in β ladder)trans-83-49.4174.4-64.6-173.2000109V163 Y174 D176 R195V163-I165 PolarHBondContact O-N 3.06Å; I165-Y174 PolarHBondContact N-O 2.93Å; I165-D176 HydrophobicContact CD1-CB 3.36Å; I165-D176 HydrophobicContact CG1-CB 3.85Å; I165-R195 WeakPolarHBondContact O-CD 3.28Å; I165-R195 WeakPolarHBondContact O-CG 3.46Å; I165-R195 PolarHBondContact O-NE 2.87Å; I165-R195 PolarHBondContact O-NH1 2.9Å
166D95Very high92.8Very high79 Ų7964.2 Ų64.242%0.42232%0.321SS..EExtended strand (participates in β ladder)trans-140.5151.3-174.9-149.21.9000111.8Y174D166-Y174 HydrophobicContact CB-CD2 4.4Å; D166-Y174 HydrophobicContact CB-CG 4.47Å; D166-Y174 PolarHBondContact N-O 2.9Å; D166-Y174 PolarHBondContact O-N 2.7Å
167N93.9Very high93.4Very high29 Ų2956.2 Ų56.216%0.15529%0.292CS..EExtended strand (participates in β ladder)trans-128.1101.7176.5-171.3-6.9000107.9D170 L173 Q187 Y193N167-D170 WeakPolarHBondContact OD1-CA 3.24Å; N167-L173 HydrophobicContact CB-CD2 3.89Å; N167-L173 VanDerWaalsContact CG-CD2 3.42Å; N167-Q187 PolarHBondContact ND2-OE1 2.64Å; N167-Y193 PolarHBondContact ND2-O 3.46Å
168V92.8Very high94.2Very high52 Ų5255.8 Ų55.832%0.31530%0.3SS..EExtended strand (participates in β ladder)trans-87.3122.4-176.6-1780000108.6D170 T171 D172 Y174V168-D170 PolarHBondContact O-N 2.78Å; V168-T171 PolarHBondContact O-N 2.67Å; V168-T171 PolarHBondContact O-OG1 2.85Å; V168-D172 PolarHBondContact N-O 2.9Å; V168-D172 PolarHBondContact O-N 2.86Å; V168-D172 VanDerWaalsContact O-N 3.11Å; V168-Y174 HydrophobicContact CG2-CD2 3.9Å; V168-Y174 HydrophobicContact CG2-CE2 3.68Å
169D90.4Very high94.3Very high139 Ų13952 Ų5274%0.74330%0.296SS*.THydrogen-bonded Turntrans53.522.8174.9-59.8-37.5000115.6T171D169-T171 PolarHBondContact O-N 2.8Å; D169-T171 VanDerWaalsContact O-N 3.12Å
170D89.2Confident94.2Very high103 Ų10354.1 Ų54.155%0.55130%0.303SS*.THydrogen-bonded Turntrans57.417.3-171.8-59.8-42.5000114N167 V168 Q187 F192N167-D170 WeakPolarHBondContact OD1-CA 3.24Å; V168-D170 PolarHBondContact O-N 2.78Å; D170-Q187 PolarHBondContact O-NE2 3.44Å; D170-F192 WeakPolarHBondContact OD1-CE2 3.31Å
171T92.9Very high94.3Very high69 Ų6952.6 Ų52.642%0.42329%0.294SS..THydrogen-bonded Turntrans-112.2-41.2-179.658.30000113V168 D169 S186 Q187V168-T171 PolarHBondContact O-N 2.67Å; V168-T171 PolarHBondContact O-OG1 2.85Å; D169-T171 PolarHBondContact O-N 2.8Å; D169-T171 VanDerWaalsContact O-N 3.12Å; T171-S186 CarbonylContact O-C 3.59Å; T171-S186 VanDerWaalsContact O-CA 3.31Å; T171-S186 WeakPolarHBondContact O-CA 3.49Å; T171-Q187 PolarHBondContact O-N 3.09Å
172D94.2Very high94.3Very high55 Ų5554.9 Ų54.929%0.29430%0.304SS..EExtended strand (participates in β ladder)trans-126.1126.4-170-63.7-61.7000112.1V168 V184 S186V168-D172 PolarHBondContact N-O 2.9Å; V168-D172 PolarHBondContact O-N 2.86Å; V168-D172 VanDerWaalsContact O-N 3.11Å; D172-V184 HydrophobicContact CB-CG1 4.08Å; D172-S186 PolarHBondContact OD1-OG 2.87Å
173L96.3Very high94.3Very high0 Ų054.8 Ų54.80%030%0.303CS..EExtended strand (participates in β ladder)trans-101.9117.8-176.6-58.8174.1000110.5V164 N167 I175 V184 C185 Q187 Y193 L228V164-L173 HydrophobicContact CG1-CD2 4.26Å; N167-L173 HydrophobicContact CB-CD2 3.89Å; N167-L173 VanDerWaalsContact CG-CD2 3.42Å; L173-I175 HydrophobicContact CB-CD1 4.08Å; L173-I175 HydrophobicContact CB-CG1 4.11Å; L173-V184 WeakPolarHBondContact O-CA 3.28Å; L173-C185 WeakPolarHBondContact CB-O 3.46Å; L173-C185 PolarHBondContact N-O 2.97Å; L173-C185 PolarHBondContact O-N 3.44Å; L173-Q187 HydrophobicContact CD1-CB 4.09Å; L173-Q187 HydrophobicContact CD1-CG 4.38Å; L173-Q187 HydrophobicContact CD2-CB 4.36Å; L173-Q187 HydrophobicContact CG-CB 4.01Å; L173-Y193 HydrophobicContact CD1-CD2 3.59Å; L173-Y193 HydrophobicContact CD1-CE2 4.24Å; L173-Y193 HydrophobicContact CD1-CG 3.98Å; L173-L228 HydrophobicContact CD1-CD2 3.77Å
174Y96.7Very high94.3Very high80 Ų8054.9 Ų54.931%0.31430%0.303SS..EExtended strand (participates in β ladder)trans-83.6115.2166.5-78.1-98000109.3V164 I165 D166 V168 V184V164-Y174 CarbonylContact C-O 3.4Å; I165-Y174 PolarHBondContact N-O 2.93Å; D166-Y174 HydrophobicContact CB-CD2 4.4Å; D166-Y174 HydrophobicContact CB-CG 4.47Å; D166-Y174 PolarHBondContact N-O 2.9Å; D166-Y174 PolarHBondContact O-N 2.7Å; V168-Y174 HydrophobicContact CG2-CD2 3.9Å; V168-Y174 HydrophobicContact CG2-CE2 3.68Å; Y174-V184 HydrophobicContact CD1-CG2 3.78Å; Y174-V184 HydrophobicContact CE1-CG2 3.48Å; Y174-V184 VanDerWaalsContact CE1-CG2 3.48Å; Y174-V184 HydrophobicContact CE2-CG2 4.29Å; Y174-V184 HydrophobicContact CG-CG2 4.32Å
175I97.4Very high94.2Very high0 Ų055.2 Ų55.20%031%0.306CS..EExtended strand (participates in β ladder)trans-120.6128.5-174.6-59.9156.9000109.1V163 V164 L173 C183 C185 V199 I201 L228V163-I175 CarbonylContact O-C 3.6Å; V163-I175 WeakPolarHBondContact O-CA 3.37Å; V164-I175 HydrophobicContact CG2-CG1 4.12Å; L173-I175 HydrophobicContact CB-CD1 4.08Å; L173-I175 HydrophobicContact CB-CG1 4.11Å; I175-C183 VanDerWaalsContact CB-SG 3.59Å; I175-C183 PolarHBondContact N-O 3.22Å; I175-C183 PolarHBondContact O-N 2.67Å; I175-C183 PolarHBondContact O-SG 3.26Å; I175-C185 HydrophobicContact CD1-CB 4.07Å; I175-V199 HydrophobicContact CB-CG2 4.46Å; I175-V199 HydrophobicContact CD1-CG2 3.9Å; I175-V199 HydrophobicContact CG1-CG2 3.97Å; I175-V199 HydrophobicContact CG2-CG2 3.63Å; I175-I201 HydrophobicContact CD1-CG2 3.93Å; I175-I201 HydrophobicContact CG2-CG2 4.09Å; I175-L228 HydrophobicContact CD1-CD1 4.1Å
176D96.5Very high94.1Very high43 Ų4357.3 Ų57.323%0.2332%0.324CS..EExtended strand (participates in β ladder)trans-100124.7171.5-177.319000111.1G162 V163 I165 G178 H182G162-D176 CarbonylContact C-O 3.55Å; G162-D176 WeakPolarHBondContact CA-O 3.31Å; V163-D176 PolarHBondContact N-O 3.28Å; V163-D176 PolarHBondContact O-N 3.28Å; I165-D176 HydrophobicContact CD1-CB 3.36Å; I165-D176 HydrophobicContact CG1-CB 3.85Å; D176-G178 PolarHBondContact OD1-N 3.43Å; D176-H182 IonicContact OD1-ND1 3.67Å
177F94.6Very high94.1Very high37 Ų3755 Ų5516%0.16231%0.311CS..SBendtrans-113.913.6178.262.4-89.1000112.3L160 F181 C183 I201 L203 A224L160-F177 HydrophobicContact CD1-CD2 3.74Å; L160-F177 HydrophobicContact CD1-CE2 4.32Å; L160-F177 HydrophobicContact CD1-CG 4.35Å; F177-F181 WeakPolarHBondContact CE1-O 3.33Å; F177-C183 HydrophobicContact CD1-CB 4.44Å; F177-C183 HydrophobicContact CE1-CB 4.2Å; F177-I201 HydrophobicContact CB-CD1 3.71Å; F177-I201 HydrophobicContact CD1-CD1 3.73Å; F177-I201 HydrophobicContact CG-CD1 3.85Å; F177-L203 HydrophobicContact CE1-CD1 4.28Å; F177-L203 HydrophobicContact CE2-CD1 4.25Å; F177-L203 HydrophobicContact CE2-CD2 4.18Å; F177-L203 HydrophobicContact CZ-CD1 3.9Å; F177-A224 HydrophobicContact CE1-CB 3.7Å; F177-A224 HydrophobicContact CZ-CB 3.86Å
178G92.6Very high94Very high72 Ų7256.1 Ų56.174%0.74232%0.32SS*.SBendtrans82.820.3-175.500000113.6D176D176-G178 PolarHBondContact OD1-N 3.43Å
179G91Very high93.8Very high31 Ų3158.7 Ų58.732%0.3235%0.347SS..SBendtrans-88175.8173.900000112.6
180K91.7Very high93.7Very high180 Ų18060 Ų6078%0.78335%0.353SS*.SBendtrans-68.2-37170.3-179.8179.8175-172.30112.1
181F95.2Very high93.7Very high23 Ų2359.3 Ų59.310%0.10135%0.347CS..SBendtrans-117.4136.5-178.8-57.2-64.9000109F177 E207 F222 A224F177-F181 WeakPolarHBondContact CE1-O 3.33Å; F181-E207 HydrophobicContact CD2-CB 4.02Å; F181-E207 HydrophobicContact CD2-CG 3.96Å; F181-E207 HydrophobicContact CE2-CB 3.99Å; F181-E207 HydrophobicContact CE2-CG 3.56Å; F181-E207 HydrophobicContact CZ-CG 4.46Å; F181-F222 HydrophobicContact CD1-CB 3.98Å; F181-F222 HydrophobicContact CD1-CD1 4.5Å; F181-F222 VanDerWaalsContact CD1-O 3.3Å; F181-F222 WeakPolarHBondContact CD1-O 3.45Å; F181-F222 HydrophobicContact CE1-CB 3.89Å; F181-F222 AromaticContact CE1-CD1 3.59Å; F181-F222 HydrophobicContact CE1-CD1 3.59Å; F181-F222 HydrophobicContact CE1-CG 4.18Å; F181-F222 AromaticContact CZ-CD1 3.94Å; F181-F222 HydrophobicContact CZ-CD1 3.94Å; F181-A224 HydrophobicContact CB-CB 4.47Å
182H95.7Very high93.6Very high79 Ų7962.3 Ų62.337%0.36635%0.354SS..  trans-67.6152.9171.6-55.1-46.8000109.9D176 E223 A224D176-H182 IonicContact OD1-ND1 3.67Å; H182-E223 WeakPolarHBondContact O-CA 3.45Å; H182-A224 PolarHBondContact O-N 2.8Å
183C95.1Very high93.6Very high0 Ų060 Ų600%034%0.342CS..EExtended strand (participates in β ladder)trans-98140.3170.763.20000110.5I175 F177 I201 A224 A226I175-C183 VanDerWaalsContact CB-SG 3.59Å; I175-C183 PolarHBondContact N-O 3.22Å; I175-C183 PolarHBondContact O-N 2.67Å; I175-C183 PolarHBondContact O-SG 3.26Å; F177-C183 HydrophobicContact CD1-CB 4.44Å; F177-C183 HydrophobicContact CE1-CB 4.2Å; C183-I201 VanDerWaalsContact SG-CD1 3.55Å; C183-A224 WeakPolarHBondContact CA-O 3.33Å; C183-A224 HydrophobicContact CB-CB 3.98Å; C183-A224 VanDerWaalsContact CB-O 3.31Å; C183-A224 WeakPolarHBondContact CB-O 3.46Å; C183-A226 HydrophobicContact CB-CB 3.78Å
184V95.4Very high93.4Very high36 Ų3663.1 Ų63.122%0.21836%0.362CS..EExtended strand (participates in β ladder)trans-104.5122.7174.7-174.40000108D172 L173 Y174 E223D172-V184 HydrophobicContact CB-CG1 4.08Å; L173-V184 WeakPolarHBondContact O-CA 3.28Å; Y174-V184 HydrophobicContact CD1-CG2 3.78Å; Y174-V184 HydrophobicContact CE1-CG2 3.48Å; Y174-V184 VanDerWaalsContact CE1-CG2 3.48Å; Y174-V184 HydrophobicContact CE2-CG2 4.29Å; Y174-V184 HydrophobicContact CG-CG2 4.32Å; V184-E223 HydrophobicContact CG2-CG 4.1Å
185C95.3Very high93.2Very high8 Ų867.6 Ų67.65%0.05438%0.378CS..EExtended strand (participates in β ladder)trans-129.7137.3178.8-66.50000110L173 I175 Q187 A226 L228L173-C185 WeakPolarHBondContact CB-O 3.46Å; L173-C185 PolarHBondContact N-O 2.97Å; L173-C185 PolarHBondContact O-N 3.44Å; I175-C185 HydrophobicContact CD1-CB 4.07Å; C185-Q187 PolarHBondContact O-N 2.93Å; C185-A226 PolarHBondContact SG-O 3.2Å; C185-A226 VanDerWaalsContact SG-O 3.41Å; C185-L228 HydrophobicContact CB-CB 3.91Å
186S94.5Very high93Very high88 Ų8870 Ų7062%0.61540%0.403SS*.EExtended strand (participates in β ladder)trans-68.4133.9175.5-51.60000111.7T171 D172T171-S186 CarbonylContact O-C 3.59Å; T171-S186 VanDerWaalsContact O-CA 3.31Å; T171-S186 WeakPolarHBondContact O-CA 3.49Å; D172-S186 PolarHBondContact OD1-OG 2.87Å
187Q93.8Very high92.9Very high30 Ų3069.3 Ų69.314%0.1440%0.401CS..PPolyproline II helixtrans-70.2128.2175.6-176.9169.7-95.900110N167 D170 T171 L173 C185 Q191 Y193N167-Q187 PolarHBondContact ND2-OE1 2.64Å; D170-Q187 PolarHBondContact O-NE2 3.44Å; T171-Q187 PolarHBondContact O-N 3.09Å; L173-Q187 HydrophobicContact CD1-CB 4.09Å; L173-Q187 HydrophobicContact CD1-CG 4.38Å; L173-Q187 HydrophobicContact CD2-CB 4.36Å; L173-Q187 HydrophobicContact CG-CB 4.01Å; C185-Q187 PolarHBondContact O-N 2.93Å; Q187-Q191 WeakPolarHBondContact CG-O 3.45Å; Q187-Y193 HydrophobicContact CG-CD2 4.27Å
188P93.7Very high92.9Very high54 Ų5469.8 Ų69.835%0.35141%0.405SS..PPolyproline II helixtrans-71.3136172.927.8-31.9000110.6N190 Q191 Y193P188-N190 PolarHBondContact O-N 2.77Å; P188-Q191 HydrophobicContact CG-CB 4.11Å; P188-Q191 HydrophobicContact CG-CG 4.39Å; P188-Q191 PolarHBondContact O-N 2.92Å; P188-Y193 HydrophobicContact CG-CE2 4.34Å
189A88.4Confident93Very high106 Ų10666.3 Ų66.388%0.87637%0.37SS*.THydrogen-bonded Turntrans-54.9-20.6-170.600000116.6
190N87.4Confident93.3Very high165 Ų16566.4 Ų66.488%0.88237%0.365SS*.THydrogen-bonded Turntrans-1015.3-177.6-63.4-33.8000113.7P188P188-N190 PolarHBondContact O-N 2.77Å
191Q89.1Confident93.4Very high90 Ų9057.9 Ų57.942%0.42133%0.328SS..  trans-135.9135.9-178.5-58.6176.7-15.500110.2Q187 P188 Y193Q187-Q191 WeakPolarHBondContact CG-O 3.45Å; P188-Q191 HydrophobicContact CG-CB 4.11Å; P188-Q191 HydrophobicContact CG-CG 4.39Å; P188-Q191 PolarHBondContact O-N 2.92Å; Q191-Y193 HydrophobicContact CB-CD2 4.48Å; Q191-Y193 HydrophobicContact CB-CE2 3.76Å; Q191-Y193 PolarHBondContact OE1-OH 2.87Å
192F91.6Very high93.4Very high131 Ų13161.3 Ų61.358%0.57534%0.34SS*.  trans-110.9130.7176.2179-106.9000109.4D170 P194D170-F192 WeakPolarHBondContact OD1-CE2 3.31Å; F192-P194 HydrophobicContact CE1-CB 3.95Å; F192-P194 HydrophobicContact CE1-CG 4.39Å
193Y93.9Very high93.4Very high8 Ų857.8 Ų57.83%0.03132%0.324CS..  trans-114.9100.4178.4-67-87.9000109.9N167 L173 Q187 P188 Q191 V199 L228 G230 P231N167-Y193 PolarHBondContact ND2-O 3.46Å; L173-Y193 HydrophobicContact CD1-CD2 3.59Å; L173-Y193 HydrophobicContact CD1-CE2 4.24Å; L173-Y193 HydrophobicContact CD1-CG 3.98Å; Q187-Y193 HydrophobicContact CG-CD2 4.27Å; P188-Y193 HydrophobicContact CG-CE2 4.34Å; Q191-Y193 HydrophobicContact CB-CD2 4.48Å; Q191-Y193 HydrophobicContact CB-CE2 3.76Å; Q191-Y193 PolarHBondContact OE1-OH 2.87Å; Y193-V199 HydrophobicContact CD1-CG1 3.4Å; Y193-V199 VanDerWaalsContact CD1-CG1 3.4Å; Y193-V199 HydrophobicContact CE1-CG1 3.46Å; Y193-V199 VanDerWaalsContact CE1-CG1 3.46Å; Y193-V199 HydrophobicContact CG-CG1 4.36Å; Y193-L228 HydrophobicContact CE2-CD2 3.97Å; Y193-G230 WeakPolarHBondContact OH-CA 3.31Å; Y193-P231 HydrophobicContact CE1-CB 4.14Å; Y193-P231 VanDerWaalsContact OH-CD 3.31Å; Y193-P231 WeakPolarHBondContact OH-CD 3.16Å
194P91.4Very high93.3Very high64 Ų6461.9 Ų61.942%0.41634%0.342SS..  trans-68155.6173.225.7-31.4000111F192 G196 S197F192-P194 HydrophobicContact CE1-CB 3.95Å; F192-P194 HydrophobicContact CE1-CG 4.39Å; P194-G196 PolarHBondContact O-N 2.82Å; P194-S197 WeakPolarHBondContact CD-OG 3.35Å; P194-S197 VanDerWaalsContact CG-OG 3.31Å; P194-S197 WeakPolarHBondContact CG-OG 3.07Å; P194-S197 WeakPolarHBondContact O-CB 3.29Å; P194-S197 PolarHBondContact O-N 3.01Å; P194-S197 PolarHBondContact O-OG 2.91Å
195R93.4Very high93Very high175 Ų17563.9 Ų63.966%0.6635%0.351SS*.THydrogen-bonded Turntrans-52.5137.3172.3176.6168.9-178.8115.90.7111.3I165 S197I165-R195 WeakPolarHBondContact O-CD 3.28Å; I165-R195 WeakPolarHBondContact O-CG 3.46Å; I165-R195 PolarHBondContact O-NE 2.87Å; I165-R195 PolarHBondContact O-NH1 2.9Å; R195-S197 VanDerWaalsContact C-N 3.32Å
196G93.5Very high92.8Very high50 Ų5065.5 Ų65.552%0.51536%0.362SS..THydrogen-bonded Turntrans86-3.9-174.300000114.4V164 P194V164-G196 PolarHBondContact O-N 3.26Å; P194-G196 PolarHBondContact O-N 2.82Å
197S92.9Very high92.6Very high28 Ų2865.4 Ų65.420%0.19635%0.352CS..  trans-65.7139.8176.3-64.50000111.9V163 V164 P194 R195V163-S197 WeakPolarHBondContact CA-O 3.35Å; V164-S197 PolarHBondContact N-O 2.63Å; P194-S197 WeakPolarHBondContact CD-OG 3.35Å; P194-S197 VanDerWaalsContact CG-OG 3.31Å; P194-S197 WeakPolarHBondContact CG-OG 3.07Å; P194-S197 WeakPolarHBondContact O-CB 3.29Å; P194-S197 PolarHBondContact O-N 3.01Å; P194-S197 PolarHBondContact O-OG 2.91Å; R195-S197 VanDerWaalsContact C-N 3.32Å
198L95.4Very high92.3Very high47 Ų4766.8 Ų66.825%0.24636%0.36CS..EExtended strand (participates in β ladder)trans-89.8128.7173.6-67.2163.2000110.5I161 G162 V163 Y232 L236I161-L198 HydrophobicContact CG2-CD2 3.99Å; G162-L198 WeakPolarHBondContact O-CA 3.3Å; V163-L198 HydrophobicContact CG2-CD2 3.65Å; L198-Y232 PolarHBondContact O-N 2.97Å; L198-L236 HydrophobicContact CD1-CD1 3.14Å; L198-L236 HydrophobicContact CD1-CD2 4.26Å; L198-L236 HydrophobicContact CD1-CG 3.98Å
199V95.7Very high92Very high0 Ų067.8 Ų67.80%037%0.365CS..EExtended strand (participates in β ladder)trans-129.4146.9-176.1-65.50000110.8I161 G162 V164 I175 Y193 I201 L228 G230I161-V199 CarbonylContact C-O 3.57Å; I161-V199 WeakPolarHBondContact CA-O 3.22Å; G162-V199 PolarHBondContact N-O 3.4Å; G162-V199 WeakPolarHBondContact O-CG2 3.32Å; G162-V199 PolarHBondContact O-N 3.35Å; V164-V199 HydrophobicContact CG2-CG1 3.68Å; V164-V199 HydrophobicContact CG2-CG2 4.03Å; I175-V199 HydrophobicContact CB-CG2 4.46Å; I175-V199 HydrophobicContact CD1-CG2 3.9Å; I175-V199 HydrophobicContact CG1-CG2 3.97Å; I175-V199 HydrophobicContact CG2-CG2 3.63Å; Y193-V199 HydrophobicContact CD1-CG1 3.4Å; Y193-V199 VanDerWaalsContact CD1-CG1 3.4Å; Y193-V199 HydrophobicContact CE1-CG1 3.46Å; Y193-V199 VanDerWaalsContact CE1-CG1 3.46Å; Y193-V199 HydrophobicContact CG-CG1 4.36Å; V199-I201 HydrophobicContact CG2-CG2 4.18Å; V199-L228 HydrophobicContact CB-CD1 3.76Å; V199-L228 HydrophobicContact CG1-CD1 4.12Å; V199-L228 HydrophobicContact CG2-CD1 4.16Å; V199-G230 CarbonylContact C-O 3.59Å; V199-G230 WeakPolarHBondContact CA-O 3.17Å
200C95.4Very high91.7Very high33 Ų3364.4 Ų64.422%0.22334%0.34CS..EExtended strand (participates in β ladder)trans-89.3126168.1-65.80000108.8L229 G230C200-L229 HydrophobicContact CB-CB 4.13Å; C200-L229 HydrophobicContact CB-CD1 4.43Å; C200-L229 WeakPolarHBondContact O-CB 3.35Å; C200-L229 PolarHBondContact O-N 2.84Å; C200-G230 PolarHBondContact N-O 3.47Å; C200-G230 PolarHBondContact O-N 3.43Å
201I95.7Very high91.3Very high0 Ų063 Ų630%033%0.326CS..EExtended strand (participates in β ladder)trans-119.2152.8173.264.6170.1000109.7E159 L160 I175 F177 C183 V199 A226 T227 L228E159-I201 CarbonylContact C-O 3.55Å; E159-I201 WeakPolarHBondContact CA-O 3.49Å; L160-I201 HydrophobicContact CB-CG1 4.06Å; L160-I201 PolarHBondContact N-O 2.96Å; L160-I201 PolarHBondContact O-N 2.96Å; I175-I201 HydrophobicContact CD1-CG2 3.93Å; I175-I201 HydrophobicContact CG2-CG2 4.09Å; F177-I201 HydrophobicContact CB-CD1 3.71Å; F177-I201 HydrophobicContact CD1-CD1 3.73Å; F177-I201 HydrophobicContact CG-CD1 3.85Å; C183-I201 VanDerWaalsContact SG-CD1 3.55Å; V199-I201 HydrophobicContact CG2-CG2 4.18Å; I201-A226 HydrophobicContact CB-CB 4.33Å; I201-A226 HydrophobicContact CD1-CB 4.11Å; I201-T227 CarbonylContact C-O 3.5Å; I201-T227 WeakPolarHBondContact CA-O 3.34Å; I201-L228 HydrophobicContact CG2-CD1 4.29Å
202R95.1Very high90.8Very high96 Ų9664.4 Ų64.436%0.36233%0.331SS..EExtended strand (participates in β ladder)trans-109.1109.5168.2-178.5175.265.9176.7-1.3108.8R158 A226 T227 L229R158-R202 CarbonylContact O-C 3.5Å; R158-R202 WeakPolarHBondContact O-CA 3.27Å; R202-A226 CarbonylContact O-C 3.59Å; R202-A226 WeakPolarHBondContact O-CA 3.31Å; R202-T227 WeakPolarHBondContact CB-OG1 3.14Å; R202-T227 PolarHBondContact N-O 3.45Å; R202-T227 PolarHBondContact NE-OG1 2.8Å; R202-T227 PolarHBondContact O-N 2.86Å; R202-L229 HydrophobicContact CB-CD1 4.17Å; R202-L229 HydrophobicContact CB-CD2 4.19Å; R202-L229 HydrophobicContact CB-CG 4.2Å
203L93.8Very high89.9Confident5 Ų567.6 Ų67.63%0.02635%0.35CS..EExtended strand (participates in β ladder)trans-70.8136.7-178.2-171.565.5000110F155 R158 L160 F177 A224 A226F155-L203 HydrophobicContact CB-CD2 4.37Å; F155-L203 HydrophobicContact CB-CG 4.5Å; F155-L203 HydrophobicContact CD1-CD2 3.84Å; F155-L203 HydrophobicContact CG-CD2 4.34Å; R158-L203 PolarHBondContact O-N 3.39Å; L160-L203 HydrophobicContact CD1-CB 3.96Å; L160-L203 HydrophobicContact CD1-CD2 3.8Å; L160-L203 HydrophobicContact CD1-CG 4.43Å; F177-L203 HydrophobicContact CE1-CD1 4.28Å; F177-L203 HydrophobicContact CE2-CD1 4.25Å; F177-L203 HydrophobicContact CE2-CD2 4.18Å; F177-L203 HydrophobicContact CZ-CD1 3.9Å; L203-A224 HydrophobicContact CD1-CB 4.46Å; L203-A226 HydrophobicContact CD1-CB 4.37Å
204K93Very high89.4Confident86 Ų8673.6 Ų73.637%0.37439%0.388SS..EExtended strand (participates in β ladder)trans-108.7-56.3171.3-68.7171.2179.1161.70110.5F155 D225 T227F155-K204 WeakPolarHBondContact CB-O 3.21Å; K204-D225 HydrophobicContact CB-CB 4.44Å; K204-D225 WeakPolarHBondContact CB-O 3.41Å; K204-D225 WeakPolarHBondContact CD-OD1 3.37Å; K204-D225 VanDerWaalsContact CD-OD2 3.28Å; K204-D225 WeakPolarHBondContact CD-OD2 3.5Å; K204-D225 PolarHBondContact N-O 2.84Å; K204-D225 IonicContact NZ-OD1 3.74Å; K204-T227 HydrophobicContact CD-CG2 4.44Å; K204-T227 VanDerWaalsContact CE-CG2 3.43Å
205N90.9Very high88.7Confident77 Ų7774.4 Ų74.441%0.41239%0.388SS..EExtended strand (participates in β ladder)trans-134.4129.9177.1-62.6-53.4000109.7E207 D225N205-E207 PolarHBondContact O-N 3.31Å; N205-D225 HydrophobicContact CB-CB 4.21Å; N205-D225 PolarHBondContact N-O 2.87Å; N205-D225 VanDerWaalsContact N-O 3.09Å; N205-D225 PolarHBondContact O-N 2.84Å
206P91.3Very high88.3Confident43 Ų4371.1 Ų71.128%0.27939%0.388SS..SBendtrans-72.1-15.1176.832.7-39.6000113.4F155F155-P206 VanDerWaalsContact CD2-CD 3.43Å; F155-P206 HydrophobicContact CD2-CG 3.95Å; F155-P206 HydrophobicContact CE1-CG 4.26Å; F155-P206 VanDerWaalsContact CE2-CD 3.48Å; F155-P206 HydrophobicContact CE2-CG 3.44Å; F155-P206 VanDerWaalsContact CE2-CG 3.44Å; F155-P206 HydrophobicContact CZ-CB 4.38Å; F155-P206 HydrophobicContact CZ-CG 3.62Å
207E90Very high87.9Confident86 Ų8677 Ų7740%0.40240%0.399SS..SBendtrans-142.1118.8176-177.1176.1-16900108.6F181 N205 T209 S220F181-E207 HydrophobicContact CD2-CB 4.02Å; F181-E207 HydrophobicContact CD2-CG 3.96Å; F181-E207 HydrophobicContact CE2-CB 3.99Å; F181-E207 HydrophobicContact CE2-CG 3.56Å; F181-E207 HydrophobicContact CZ-CG 4.46Å; N205-E207 PolarHBondContact O-N 3.31Å; E207-T209 PolarHBondContact O-N 3.35Å; E207-S220 VanDerWaalsContact CG-OG 3.32Å; E207-S220 WeakPolarHBondContact CG-OG 3.44Å; E207-S220 VanDerWaalsContact OE1-CB 3.25Å; E207-S220 WeakPolarHBondContact OE1-CB 3.3Å; E207-S220 PolarHBondContact OE1-OG 3.47Å
208L87.7Confident87.3Confident58 Ų5878 Ų7830%0.30441%0.414SS..  trans-81.899.8175.7-175.560.7000109.6S220 I221 E223 D225L208-S220 WeakPolarHBondContact O-CA 3.37Å; L208-I221 HydrophobicContact CD2-CD1 3.96Å; L208-I221 HydrophobicContact CG-CD1 4.29Å; L208-I221 PolarHBondContact O-N 2.85Å; L208-E223 VanDerWaalsContact CB-O 3.28Å; L208-E223 WeakPolarHBondContact CB-O 3.41Å; L208-E223 PolarHBondContact N-O 3.27Å; L208-D225 HydrophobicContact CD1-CB 4.37Å
209T85.6Confident86.8Confident76 Ų7678.4 Ų78.447%0.46642%0.418SS..EExtended strand (participates in β ladder)trans-113.2128.6177.8-54.10000110.3E207 V219E207-T209 PolarHBondContact O-N 3.35Å; T209-V219 WeakPolarHBondContact CA-O 3.11Å
210G82.3Confident86.3Confident34 Ų3479.3 Ų79.335%0.35143%0.425SS..EExtended strand (participates in β ladder)trans-115.9158.517400000112.2G218 V219G210-G218 CarbonylContact O-C 3.59Å; G210-G218 VanDerWaalsContact O-CA 3.27Å; G210-G218 WeakPolarHBondContact O-CA 3.07Å; G210-V219 PolarHBondContact N-O 3.18Å; G210-V219 PolarHBondContact O-N 2.86Å
211K80.1Confident85.9Confident135 Ų13581.9 Ų81.959%0.58744%0.435SS*.  trans-107.6104.6166.3-170.4-179.1-179.2-173.90107.6N215K211-N215 WeakPolarHBondContact CE-O 3.5Å; K211-N215 VanDerWaalsContact CG-O 3.23Å; K211-N215 WeakPolarHBondContact CG-O 3.4Å
212F78Confident85.8Confident121 Ų12189 Ų8953%0.53147%0.466SS..  trans-65.8140.9172.7-67.4-71000109.4V214 N215 V219F212-V214 PolarHBondContact O-N 2.77Å; F212-N215 PolarHBondContact O-N 3.46Å; F212-V219 HydrophobicContact CD2-CB 3.82Å; F212-V219 HydrophobicContact CD2-CG1 4.43Å; F212-V219 HydrophobicContact CD2-CG2 3.76Å; F212-V219 HydrophobicContact CE2-CB 3.66Å; F212-V219 HydrophobicContact CE2-CG1 3.87Å; F212-V219 HydrophobicContact CE2-CG2 4.06Å
213M71.7Confident85.7Confident197 Ų19787.1 Ų87.197%0.9746%0.462SS*.THydrogen-bonded Turntrans-40.8-40.1-165.6-66.8171.363.700115.8
214V83.5Confident85.7Confident135 Ų13587.1 Ų87.182%0.81846%0.462SS*.THydrogen-bonded Turntrans-98.9-15.3-173-171.20000112.4F212F212-V214 PolarHBondContact O-N 2.77Å
215N78.6Confident85.7Confident81 Ų8185.2 Ų85.243%0.43346%0.456SS..  trans-87.4125.7-175.9-74.429000110.3K211 F212 K217K211-N215 WeakPolarHBondContact CE-O 3.5Å; K211-N215 VanDerWaalsContact CG-O 3.23Å; K211-N215 WeakPolarHBondContact CG-O 3.4Å; F212-N215 PolarHBondContact O-N 3.46Å; N215-K217 PolarHBondContact O-N 2.85Å
216T83.6Confident85.9Confident106 Ų10682 Ų8265%0.6544%0.44SS*.SBendtrans-65.7-30169.9-43.40000111.3
217K84.6Confident86.1Confident173 Ų17381.6 Ų81.675%0.75244%0.437SS*.SBendtrans-92140.7-178.3-59.5-177.6-177.8-179.70111N215N215-K217 PolarHBondContact O-N 2.85Å
218G80.9Confident86.4Confident49 Ų4979.2 Ų79.251%0.50543%0.427SS..  trans-69.3143.3169.500000111.2G210G210-G218 CarbonylContact O-C 3.59Å; G210-G218 VanDerWaalsContact O-CA 3.27Å; G210-G218 WeakPolarHBondContact O-CA 3.07Å
219V84.4Confident86.7Confident55 Ų5580.4 Ų80.433%0.33343%0.433SS..EExtended strand (participates in β ladder)trans-112.4132.5173.11800000107.8T209 G210 F212T209-V219 WeakPolarHBondContact CA-O 3.11Å; G210-V219 PolarHBondContact N-O 3.18Å; G210-V219 PolarHBondContact O-N 2.86Å; F212-V219 HydrophobicContact CD2-CB 3.82Å; F212-V219 HydrophobicContact CD2-CG1 4.43Å; F212-V219 HydrophobicContact CD2-CG2 3.76Å; F212-V219 HydrophobicContact CE2-CB 3.66Å; F212-V219 HydrophobicContact CE2-CG1 3.87Å; F212-V219 HydrophobicContact CE2-CG2 4.06Å
220S85.7Confident87.1Confident20 Ų2077.1 Ų77.114%0.1442%0.415CS..EExtended strand (participates in β ladder)trans-93.8138.1173.9-175.70000109.3E207 L208 F222E207-S220 VanDerWaalsContact CG-OG 3.32Å; E207-S220 WeakPolarHBondContact CG-OG 3.44Å; E207-S220 VanDerWaalsContact OE1-CB 3.25Å; E207-S220 WeakPolarHBondContact OE1-CB 3.3Å; E207-S220 PolarHBondContact OE1-OG 3.47Å; L208-S220 WeakPolarHBondContact O-CA 3.37Å; S220-F222 PolarHBondContact OG-N 2.83Å
221I87.9Confident87.6Confident87 Ų8778.3 Ų78.345%0.44642%0.416SS..  trans-83.4-3.8175.8-57.2175.8000110.7L208 E223L208-I221 HydrophobicContact CD2-CD1 3.96Å; L208-I221 HydrophobicContact CG-CD1 4.29Å; L208-I221 PolarHBondContact O-N 2.85Å; I221-E223 VanDerWaalsContact C-N 3.28Å; I221-E223 HydrophobicContact CG2-CG 4.41Å
222F92.3Very high88.2Confident149 Ų14974.1 Ų74.165%0.65440%0.397SS*.SBendtrans63.929.9-174.7-53.3-51.7000114.5F181 S220F181-F222 HydrophobicContact CD1-CB 3.98Å; F181-F222 HydrophobicContact CD1-CD1 4.5Å; F181-F222 VanDerWaalsContact CD1-O 3.3Å; F181-F222 WeakPolarHBondContact CD1-O 3.45Å; F181-F222 HydrophobicContact CE1-CB 3.89Å; F181-F222 AromaticContact CE1-CD1 3.59Å; F181-F222 HydrophobicContact CE1-CD1 3.59Å; F181-F222 HydrophobicContact CE1-CG 4.18Å; F181-F222 AromaticContact CZ-CD1 3.94Å; F181-F222 HydrophobicContact CZ-CD1 3.94Å; S220-F222 PolarHBondContact OG-N 2.83Å
223E94.2Very high88.7Confident57 Ų5777.5 Ų77.527%0.26641%0.412SS..  trans-129.2155.9176.9-67170.3-171.800109.8H182 V184 L208 I221H182-E223 WeakPolarHBondContact O-CA 3.45Å; V184-E223 HydrophobicContact CG2-CG 4.1Å; L208-E223 VanDerWaalsContact CB-O 3.28Å; L208-E223 WeakPolarHBondContact CB-O 3.41Å; L208-E223 PolarHBondContact N-O 3.27Å; I221-E223 VanDerWaalsContact C-N 3.28Å; I221-E223 HydrophobicContact CG2-CG 4.41Å
224A94.1Very high89.2Confident4 Ų470 Ų703%0.03338%0.384CS..BIsolated β-bridgetrans-97.2144.4169.800000110.8F177 F181 H182 C183 L203F177-A224 HydrophobicContact CE1-CB 3.7Å; F177-A224 HydrophobicContact CZ-CB 3.86Å; F181-A224 HydrophobicContact CB-CB 4.47Å; H182-A224 PolarHBondContact O-N 2.8Å; C183-A224 WeakPolarHBondContact CA-O 3.33Å; C183-A224 HydrophobicContact CB-CB 3.98Å; C183-A224 VanDerWaalsContact CB-O 3.31Å; C183-A224 WeakPolarHBondContact CB-O 3.46Å; L203-A224 HydrophobicContact CD1-CB 4.46Å
225D93.2Very high88.9Confident46 Ų4671.7 Ų71.725%0.24638%0.383CS..EExtended strand (participates in β ladder)trans-92.9116.9175.1175.820.2000109.8K204 N205 L208K204-D225 HydrophobicContact CB-CB 4.44Å; K204-D225 WeakPolarHBondContact CB-O 3.41Å; K204-D225 WeakPolarHBondContact CD-OD1 3.37Å; K204-D225 VanDerWaalsContact CD-OD2 3.28Å; K204-D225 WeakPolarHBondContact CD-OD2 3.5Å; K204-D225 PolarHBondContact N-O 2.84Å; K204-D225 IonicContact NZ-OD1 3.74Å; N205-D225 HydrophobicContact CB-CB 4.21Å; N205-D225 PolarHBondContact N-O 2.87Å; N205-D225 VanDerWaalsContact N-O 3.09Å; N205-D225 PolarHBondContact O-N 2.84Å; L208-D225 HydrophobicContact CD1-CB 4.37Å
226A94.7Very high88.2Confident9 Ų970.6 Ų70.67%0.07438%0.377CS..EExtended strand (participates in β ladder)trans-142.5163.5177.300000110.9C183 C185 I201 R202 L203C183-A226 HydrophobicContact CB-CB 3.78Å; C185-A226 PolarHBondContact SG-O 3.2Å; C185-A226 VanDerWaalsContact SG-O 3.41Å; I201-A226 HydrophobicContact CB-CB 4.33Å; I201-A226 HydrophobicContact CD1-CB 4.11Å; R202-A226 CarbonylContact O-C 3.59Å; R202-A226 WeakPolarHBondContact O-CA 3.31Å; L203-A226 HydrophobicContact CD1-CB 4.37Å
227T94.7Very high87.5Confident36 Ų3670.3 Ų70.322%0.22138%0.375CS..EExtended strand (participates in β ladder)trans-115.7125.7170.154.70000109.8I201 R202 K204 L229I201-T227 CarbonylContact C-O 3.5Å; I201-T227 WeakPolarHBondContact CA-O 3.34Å; R202-T227 WeakPolarHBondContact CB-OG1 3.14Å; R202-T227 PolarHBondContact N-O 3.45Å; R202-T227 PolarHBondContact NE-OG1 2.8Å; R202-T227 PolarHBondContact O-N 2.86Å; K204-T227 HydrophobicContact CD-CG2 4.44Å; K204-T227 VanDerWaalsContact CE-CG2 3.43Å; T227-L229 PolarHBondContact O-N 2.89Å
228L95.7Very high86.4Confident35 Ų3568.9 Ų68.918%0.18337%0.365CS..EExtended strand (participates in β ladder)trans-65.3125.6172.4-178.368000110.4L173 I175 C185 Y193 V199 I201L173-L228 HydrophobicContact CD1-CD2 3.77Å; I175-L228 HydrophobicContact CD1-CD1 4.1Å; C185-L228 HydrophobicContact CB-CB 3.91Å; Y193-L228 HydrophobicContact CE2-CD2 3.97Å; V199-L228 HydrophobicContact CB-CD1 3.76Å; V199-L228 HydrophobicContact CG1-CD1 4.12Å; V199-L228 HydrophobicContact CG2-CD1 4.16Å; I201-L228 HydrophobicContact CG2-CD1 4.29Å
229L94.4Very high85.4Confident83 Ų8372 Ų7244%0.43537%0.374SS..EExtended strand (participates in β ladder)trans-94.1-36.7175-60.6178.4000111.7E159 C200 R202 T227E159-L229 HydrophobicContact CG-CD1 3.92Å; C200-L229 HydrophobicContact CB-CB 4.13Å; C200-L229 HydrophobicContact CB-CD1 4.43Å; C200-L229 WeakPolarHBondContact O-CB 3.35Å; C200-L229 PolarHBondContact O-N 2.84Å; R202-L229 HydrophobicContact CB-CD1 4.17Å; R202-L229 HydrophobicContact CB-CD2 4.19Å; R202-L229 HydrophobicContact CB-CG 4.2Å; T227-L229 PolarHBondContact O-N 2.89Å
230G94Very high84.5Confident8 Ų873.6 Ų73.68%0.08238%0.38CS..EExtended strand (participates in β ladder)trans152.7-169.117900000113.5Y193 V199 C200Y193-G230 WeakPolarHBondContact OH-CA 3.31Å; V199-G230 CarbonylContact C-O 3.59Å; V199-G230 WeakPolarHBondContact CA-O 3.17Å; C200-G230 PolarHBondContact N-O 3.47Å; C200-G230 PolarHBondContact O-N 3.43Å
231P93.7Very high83.2Confident59 Ų5976.9 Ų76.938%0.38340%0.401SS..EExtended strand (participates in β ladder)trans-69.3146175.830.5-33.9000110.8Y193 K233Y193-P231 HydrophobicContact CE1-CB 4.14Å; Y193-P231 VanDerWaalsContact OH-CD 3.31Å; Y193-P231 WeakPolarHBondContact OH-CD 3.16Å; P231-K233 PolarHBondContact O-N 3.41Å
232Y93.2Very high81.8Confident46 Ų4679.9 Ų79.918%0.1842%0.418CS..  trans-68.8120.2174-180-108.7000110.4I161 L198 G234 L236 L273I161-Y232 HydrophobicContact CD1-CD2 3.67Å; I161-Y232 HydrophobicContact CD1-CE1 4.32Å; I161-Y232 HydrophobicContact CD1-CE2 3.27Å; I161-Y232 HydrophobicContact CD1-CG 4.36Å; I161-Y232 HydrophobicContact CG1-CD2 3.77Å; I161-Y232 HydrophobicContact CG1-CE2 3.82Å; L198-Y232 PolarHBondContact O-N 2.97Å; Y232-G234 VanDerWaalsContact CE1-C 3.44Å; Y232-G234 WeakPolarHBondContact CE1-O 3.41Å; Y232-G234 VanDerWaalsContact CZ-CA 3.44Å; Y232-L236 HydrophobicContact CD1-CD2 4.07Å; Y232-L236 HydrophobicContact CD1-CG 4.4Å; Y232-L236 HydrophobicContact CE1-CD2 3.42Å; Y232-L236 VanDerWaalsContact CE1-CD2 3.42Å; Y232-L236 HydrophobicContact CE1-CG 3.91Å; Y232-L273 HydrophobicContact CE2-CD2 4.06Å; Y232-L273 WeakPolarHBondContact OH-CD2 3.31Å
233K86.7Confident80.2Confident193 Ų19379.5 Ų79.584%0.83942%0.418SS*.  trans-101.64.3-178.3-63.4-177.9-178.5177.60114P231P231-K233 PolarHBondContact O-N 3.41Å
234G82.7Confident78.2Confident38 Ų3884.1 Ų84.139%0.39244%0.44SS..SBendtrans-84.5162.7-177.900000112.9Y232Y232-G234 VanDerWaalsContact CE1-C 3.44Å; Y232-G234 WeakPolarHBondContact CE1-O 3.41Å; Y232-G234 VanDerWaalsContact CZ-CA 3.44Å
235Q76.8Confident75.9Confident172 Ų17291.9 Ų91.980%0.80447%0.473SS*.  trans-82.4117.1167.3-173.2172.52600108.9V237Q235-V237 PolarHBondContact O-N 3.44Å; Q235-V237 VanDerWaalsContact O-N 3.07Å
236L65.3Low73.5Confident57 Ų5798.2 Ų98.230%0.29850%0.503SS..  trans-67102.5168.7-77.1-169.5000110L198 Y232 R238 W271L198-L236 HydrophobicContact CD1-CD1 3.14Å; L198-L236 HydrophobicContact CD1-CD2 4.26Å; L198-L236 HydrophobicContact CD1-CG 3.98Å; Y232-L236 HydrophobicContact CD1-CD2 4.07Å; Y232-L236 HydrophobicContact CD1-CG 4.4Å; Y232-L236 HydrophobicContact CE1-CD2 3.42Å; Y232-L236 VanDerWaalsContact CE1-CD2 3.42Å; Y232-L236 HydrophobicContact CE1-CG 3.91Å; L236-R238 PolarHBondContact O-N 2.82Å; L236-W271 HydrophobicContact CB-CE3 4.2Å; L236-W271 HydrophobicContact CB-CH2 3.56Å; L236-W271 HydrophobicContact CB-CZ3 3.33Å; L236-W271 HydrophobicContact CD1-CE3 4.32Å; L236-W271 HydrophobicContact CD1-CH2 3.4Å; L236-W271 VanDerWaalsContact CD1-CH2 3.4Å; L236-W271 HydrophobicContact CD1-CZ2 3.67Å; L236-W271 HydrophobicContact CD1-CZ3 3.78Å; L236-W271 HydrophobicContact CD2-CD2 4.06Å; L236-W271 HydrophobicContact CD2-CE3 3.53Å; L236-W271 HydrophobicContact CD2-CH2 4.13Å; L236-W271 HydrophobicContact CD2-CZ3 3.59Å; L236-W271 HydrophobicContact CG-CE3 4.17Å; L236-W271 HydrophobicContact CG-CH2 3.86Å; L236-W271 HydrophobicContact CG-CZ2 4.49Å; L236-W271 HydrophobicContact CG-CZ3 3.7Å
237V68.9Low71.1Confident100 Ų100103 Ų10361%0.60653%0.526SS*.  trans-87.9104.8169.8-178.40000107.4Q235 T239Q235-V237 PolarHBondContact O-N 3.44Å; Q235-V237 VanDerWaalsContact O-N 3.07Å; V237-T239 PolarHBondContact O-N 3.43Å
238R60.8Low68.8Low144 Ų144105.3 Ų105.354%0.54354%0.54SS..  trans-61.5105.6165.1-71.1-174.4178.4179.3-2.4106.9L236 I240 W271L236-R238 PolarHBondContact O-N 2.82Å; R238-I240 HydrophobicContact CB-CG1 4.34Å; R238-I240 PolarHBondContact O-N 3.01Å; R238-W271 HydrophobicContact CG-CH2 3.84Å; R238-W271 HydrophobicContact CG-CZ3 4.27Å
239T61Low66.1Low114 Ų114109.3 Ų109.370%0.69957%0.566SS**  trans-78.580.3168.7-50.70000105.8V237 P241V237-T239 PolarHBondContact O-N 3.43Å; T239-P241 VanDerWaalsContact O-CD 3.29Å; T239-P241 WeakPolarHBondContact O-CD 3.37Å
240I64.8Low63.6Low88 Ų88111 Ų11145%0.45158%0.576SS.*  trans-61.7119.9165.3-57.2176.9000104.5R238 D242 E244R238-I240 HydrophobicContact CB-CG1 4.34Å; R238-I240 PolarHBondContact O-N 3.01Å; I240-D242 PolarHBondContact O-N 2.98Å; I240-E244 HydrophobicContact CG2-CB 3.69Å
241P58.7Low61.9Low90 Ų90116.2 Ų116.258%0.58462%0.618SS**  trans-51.5132.8170.9-21.632.3000107.6T239 E243 E244T239-P241 VanDerWaalsContact O-CD 3.29Å; T239-P241 WeakPolarHBondContact O-CD 3.37Å; P241-E243 HydrophobicContact CB-CG 4.29Å; P241-E243 PolarHBondContact O-N 3.11Å; P241-E244 PolarHBondContact O-N 2.75Å
242D58.9Low59.8Low149 Ų149120.6 Ų120.680%0.79764%0.638SS**G310 helixtrans-54.1-5.4-169.3-70.1-55.5000115.5I240I240-D242 PolarHBondContact O-N 2.98Å
243E57Low57.4Low141 Ų141121.7 Ų121.766%0.65966%0.663SS**G310 helixtrans-59.4-35.2172.7-46.9-86.9158.800113.5K5 P241K5-E243 IonicContact NZ-OE1 2.7Å; K5-E243 PolarHBondContact NZ-OE1 3.23Å; K5-E243 IonicContact NZ-OE2 2.63Å; K5-E243 PolarHBondContact NZ-OE2 3.43Å; P241-E243 HydrophobicContact CB-CG 4.29Å; P241-E243 PolarHBondContact O-N 3.11Å
244E52.8Low55.2Low155 Ų155117.7 Ų117.772%0.72466%0.655SS**G310 helixtrans-98.39-173.3-73-174.8179.100115.1I240 P241 M246I240-E244 HydrophobicContact CG2-CB 3.69Å; P241-E244 PolarHBondContact O-N 2.75Å; E244-M246 PolarHBondContact O-N 3.18Å
245K47Very low53.2Low167 Ų167124.5 Ų124.573%0.72667%0.674SS**  trans-73.131.1174.9-157-176178.5177.90113.4I247K245-I247 PolarHBondContact O-N 3.43Å
246M40.9Very low51.1Low179 Ų179126.6 Ų126.688%0.88267%0.674SS**  trans-87.190.6173.2-144.1173.2175.200109.7E244 T248E244-M246 PolarHBondContact O-N 3.18Å; M246-T248 PolarHBondContact O-N 2.99Å
247I45.1Very low50.1Low109 Ų109135.2 Ų135.256%0.55970%0.703SS**  trans-43.2116.3173.9-60.6158.6000110.9K245 T249K245-I247 PolarHBondContact O-N 3.43Å; I247-T249 HydrophobicContact CG2-CG2 3.91Å; I247-T249 PolarHBondContact O-N 3.07Å
248T45.9Very low48.9Very low85 Ų85139.6 Ų139.652%0.52171%0.708SS.*  trans-76.1100.715956.20000108.2M246 N250 R258M246-T248 PolarHBondContact O-N 2.99Å; T248-N250 PolarHBondContact O-N 3.21Å; T248-R258 PolarHBondContact OG1-NE 3.19Å; T248-R258 PolarHBondContact OG1-NH2 3.47Å
249T40.4Very low48.1Very low119 Ų119138 Ų13873%0.7372%0.719SS**  trans-68.4107.3169.552.60000108.4I247I247-T249 HydrophobicContact CG2-CG2 3.91Å; I247-T249 PolarHBondContact O-N 3.07Å
250N41.8Very low47.7Very low119 Ų119135.4 Ų135.464%0.63671%0.71SS**  trans-74.1147.1160-71.9-12.3000108.2T248 D252 G253T248-N250 PolarHBondContact O-N 3.21Å; N250-D252 PolarHBondContact O-N 2.64Å; N250-G253 PolarHBondContact O-N 3.06Å; N250-G253 VanDerWaalsContact O-N 3.1Å
251A57.5Low46.6Very low116 Ų116135.6 Ų135.696%0.95972%0.715SS**THydrogen-bonded Turntrans-57.4-5.1-165.800000116.5
252D50.3Low45.9Very low152 Ų152137.7 Ų137.781%0.81372%0.721SS**THydrogen-bonded Turntrans-113.118.6-179.4-133.45.5000113.8N250 V254N250-D252 PolarHBondContact O-N 2.64Å; D252-V254 PolarHBondContact O-N 2.93Å
253G42.6Very low45.2Very low68 Ų68138 Ų13870%0.70172%0.718SS**  trans69-4.4164.600000117.1N250 K255N250-G253 PolarHBondContact O-N 3.06Å; N250-G253 VanDerWaalsContact O-N 3.1Å; G253-K255 PolarHBondContact O-N 2.82Å
254V39.9Very low44.9Very low109 Ų109134.8 Ų134.866%0.66171%0.705SS**  trans-86.4114.1178.3-176.30000110.5D252 R256D252-V254 PolarHBondContact O-N 2.93Å; V254-R256 PolarHBondContact O-N 3.28Å; V254-R256 VanDerWaalsContact O-N 3.08Å
255K40.8Very low44.6Very low182 Ų182132.3 Ų132.379%0.79170%0.697SS**  trans-63.1104.6172.6-62.4175.7-176.5175.90109.2G253G253-K255 PolarHBondContact O-N 2.82Å
256R33.6Very low44.4Very low215 Ų215130 Ų13081%0.81170%0.696SS**  trans-114.7125.5171.4-156.8179.8-69.2-177.40109.5V254 R258V254-R256 PolarHBondContact O-N 3.28Å; V254-R256 VanDerWaalsContact O-N 3.08Å; R256-R258 PolarHBondContact O-N 2.94Å
257W43.2Very low44.4Very low239 Ų239125.3 Ų125.391%0.90569%0.687SS**PPolyproline II helixtrans-57.3131.2170.8-6482.3000108.6
258R44Very low44.1Very low191 Ų191125.1 Ų125.172%0.72169%0.686SS**PPolyproline II helixtrans-70.1131.1171.4-67.8-172.7-178.1-126.3-1.1107.9T248 R256T248-R258 PolarHBondContact OG1-NE 3.19Å; T248-R258 PolarHBondContact OG1-NH2 3.47Å; R256-R258 PolarHBondContact O-N 2.94Å
259S44.4Very low43.9Very low110 Ų110128.5 Ų128.577%0.76970%0.696SS**PPolyproline II helixtrans-64.8136.8171.6-58.60000109T261S259-T261 PolarHBondContact O-N 2.86Å
260A52.4Low43.8Very low61 Ų61130.5 Ų130.550%0.50470%0.697SS.*PPolyproline II helixtrans-59.2134.8-179.900000110.5D264A260-D264 WeakPolarHBondContact CA-OD2 3.18Å; A260-D264 HydrophobicContact CB-CB 4.42Å
261T40.8Very low43.7Very low92 Ų92129.5 Ų129.556%0.56468%0.684SS**PPolyproline II helixtrans-99.5159.7175.2-33.20000108.7S259 E263 D264S259-T261 PolarHBondContact O-N 2.86Å; T261-E263 PolarHBondContact O-N 3.12Å; T261-D264 PolarHBondContact N-OD2 3Å; T261-D264 VanDerWaalsContact O-CB 3.3Å; T261-D264 WeakPolarHBondContact O-CB 3.38Å; T261-D264 PolarHBondContact O-N 3.46Å
262D43.5Very low42.6Very low133 Ų133129.7 Ų129.771%0.71168%0.677SS**G310 helixtrans-54.9-26.6-176.1-66.4-32.4000113.9D264 N265D262-D264 VanDerWaalsContact C-N 3.3Å; D262-D264 PolarHBondContact O-N 3.32Å; D262-N265 WeakPolarHBondContact O-CB 3.39Å; D262-N265 PolarHBondContact O-N 2.63Å
263E45Very low41.8Very low155 Ų155127.7 Ų127.772%0.72467%0.666SS**G310 helixtrans-64.8-29.1174.2-51.9-64.1159.500113.1T261 N265 V266T261-E263 PolarHBondContact O-N 3.12Å; E263-N265 PolarHBondContact O-N 3.1Å; E263-V266 PolarHBondContact O-N 2.8Å
264D50.1Low41.5Very low75 Ų75137.4 Ų137.440%0.40169%0.689SS.*G310 helixtrans-71.7-15180-61.5-33.4000112.2A260 T261 D262 V266A260-D264 WeakPolarHBondContact CA-OD2 3.18Å; A260-D264 HydrophobicContact CB-CB 4.42Å; T261-D264 PolarHBondContact N-OD2 3Å; T261-D264 VanDerWaalsContact O-CB 3.3Å; T261-D264 WeakPolarHBondContact O-CB 3.38Å; T261-D264 PolarHBondContact O-N 3.46Å; D262-D264 VanDerWaalsContact C-N 3.3Å; D262-D264 PolarHBondContact O-N 3.32Å; D264-V266 VanDerWaalsContact C-N 3.26Å; D264-V266 PolarHBondContact O-N 2.89Å
265N46.4Very low41.5Very low102 Ų102138.8 Ų138.855%0.54569%0.69SS.*G310 helixtrans-74.9-15.2-179.9-68.4-32000113D262 E263D262-N265 WeakPolarHBondContact O-CB 3.39Å; D262-N265 PolarHBondContact O-N 2.63Å; E263-N265 PolarHBondContact O-N 3.1Å
266V43.6Very low41.6Very low118 Ų118136.5 Ų136.572%0.71569%0.685SS**SBendtrans-87-19.2-174.7-174.20000112.4E263 D264 L268E263-V266 PolarHBondContact O-N 2.8Å; D264-V266 VanDerWaalsContact C-N 3.26Å; D264-V266 PolarHBondContact O-N 2.89Å; V266-L268 PolarHBondContact O-N 3.08Å
267A41Very low42Very low82 Ų82132.2 Ų132.268%0.67868%0.678SS**  trans-82.365.717400000110.9E269A267-E269 PolarHBondContact O-N 2.86Å
268L39.8Very low41.9Very low104 Ų104125.9 Ų125.955%0.54566%0.664SS.*  trans-71.52.4175.9-105.3148.7000113.6V163 V266V163-L268 HydrophobicContact CG2-CD2 4.34Å; V266-L268 PolarHBondContact O-N 3.08Å
269E40.2Very low41.8Very low156 Ų156121.8 Ų121.873%0.72966%0.661SS**  trans-89.9124.3-174.9-52.4-151.9-170.300110.2A267A267-E269 PolarHBondContact O-N 2.86Å
270H38.9Very low41.6Very low161 Ų161122.6 Ų122.675%0.74565%0.654SS**  trans93.553.5169.4-43.9-66000118.2C272H270-C272 PolarHBondContact O-N 3.47Å
271W39.4Very low40.9Very low98 Ų98127 Ų12737%0.37166%0.664SS.*  trans-85.991.7149.6-60.3103000109.9L236 R238L236-W271 HydrophobicContact CB-CE3 4.2Å; L236-W271 HydrophobicContact CB-CH2 3.56Å; L236-W271 HydrophobicContact CB-CZ3 3.33Å; L236-W271 HydrophobicContact CD1-CE3 4.32Å; L236-W271 HydrophobicContact CD1-CH2 3.4Å; L236-W271 VanDerWaalsContact CD1-CH2 3.4Å; L236-W271 HydrophobicContact CD1-CZ2 3.67Å; L236-W271 HydrophobicContact CD1-CZ3 3.78Å; L236-W271 HydrophobicContact CD2-CD2 4.06Å; L236-W271 HydrophobicContact CD2-CE3 3.53Å; L236-W271 HydrophobicContact CD2-CH2 4.13Å; L236-W271 HydrophobicContact CD2-CZ3 3.59Å; L236-W271 HydrophobicContact CG-CE3 4.17Å; L236-W271 HydrophobicContact CG-CH2 3.86Å; L236-W271 HydrophobicContact CG-CZ2 4.49Å; L236-W271 HydrophobicContact CG-CZ3 3.7Å; R238-W271 HydrophobicContact CG-CH2 3.84Å; R238-W271 HydrophobicContact CG-CZ3 4.27Å
272C34.1Very low40.9Very low120 Ų120129.7 Ų129.781%0.81167%0.672SS**  trans-95.4122.5160.8-91.60000108.8H270H270-C272 PolarHBondContact O-N 3.47Å
273L34.6Very low40.7Very low111 Ų111129.4 Ų129.458%0.58167%0.669SS**  trans-62.6137.2167.2-87.9155.7000109.7I161 Y232I161-L273 HydrophobicContact CD1-CD1 3.59Å; I161-L273 HydrophobicContact CD1-CD2 4.01Å; I161-L273 HydrophobicContact CD1-CG 3.64Å; I161-L273 HydrophobicContact CG1-CD1 3.79Å; I161-L273 HydrophobicContact CG1-CG 4.4Å; Y232-L273 HydrophobicContact CE2-CD2 4.06Å; Y232-L273 WeakPolarHBondContact OH-CD2 3.31Å
274K35.1Very low40.3Very low271 Ų271127.1 Ų127.1100%1.17866%0.664SS**  trans-97.60171.1-163.4176.2-176.1175.20110.3

Retrieved 274 of 274 residues in 300.8 ms (Link to these results)