A0A087XS13_POEFO Loading...

Ras-related protein Rab-34

AlphaFold DB , UniProt , Accession A0A087XS13, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 309 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M28.5Very low29.7Very low208 Ų208157.7 Ų157.7100%1.02579%0.785SS**  091.40-163.2172.5-171.100108T3M1-T3 PolarHBondContact O-N 2.94Å
2L22.1Very low29.6Very low107 Ų107164.5 Ų164.556%0.5680%0.795SS**  trans-91.193.2167.6-105.597000107.3F4L2-F4 HydrophobicContact CD2-CE2 4.04Å; L2-F4 HydrophobicContact CD2-CZ 4.25Å; L2-F4 PolarHBondContact O-N 3.34Å
3T26.4Very low29.5Very low89 Ų89166.9 Ų166.955%0.54680%0.804SS.*  trans-81.2106.2167.1-50.40000107.1M1 F5M1-T3 PolarHBondContact O-N 2.94Å; T3-F5 HydrophobicContact CG2-CD2 4.36Å; T3-F5 HydrophobicContact CG2-CE2 4.4Å; T3-F5 PolarHBondContact O-N 2.84Å; T3-F5 VanDerWaalsContact O-N 3.08Å
4F28.4Very low29.6Very low164 Ų164166.5 Ų166.572%0.71981%0.807SS**  trans-70102.4168.4-85-86.6000108.6L2 F6L2-F4 HydrophobicContact CD2-CE2 4.04Å; L2-F4 HydrophobicContact CD2-CZ 4.25Å; L2-F4 PolarHBondContact O-N 3.34Å; F4-F6 PolarHBondContact O-N 3.3Å
5F26.7Very low29.6Very low180 Ų180163.5 Ų163.579%0.78981%0.806SS**  trans-71.5108.3163.9-94-92.9000108.3T3T3-F5 HydrophobicContact CG2-CD2 4.36Å; T3-F5 HydrophobicContact CG2-CE2 4.4Å; T3-F5 PolarHBondContact O-N 2.84Å; T3-F5 VanDerWaalsContact O-N 3.08Å
6F31Very low29.5Very low192 Ų192163.7 Ų163.784%0.84281%0.81SS**  trans-84.6109.8157.6-94-86.9000108.2F4F4-F6 PolarHBondContact O-N 3.3Å
7T27.8Very low29.8Very low129 Ų129162.1 Ų162.179%0.79182%0.816SS**  trans-61132.9173.732.80000111.6H9T7-H9 PolarHBondContact O-N 3.35Å
8K38Very low30Very low192 Ų192157.1 Ų157.184%0.83581%0.813SS**SBendtrans-54.7119165.9-96.1-179.4169.8179.10110.7
9H32.3Very low29.9Very low189 Ų189154 Ų15488%0.87581%0.812SS**  trans150.6130.8130.5-91.4-76.2000111T7T7-H9 PolarHBondContact O-N 3.35Å
10G27.3Very low30.2Very low69 Ų69159.4 Ų159.471%0.71182%0.821SS**  trans127.498.5163.600000113R12G10-R12 PolarHBondContact O-N 3.04Å
11K38.7Very low30.1Very low216 Ų216154.4 Ų154.494%0.93981%0.809SS**  trans-38.4119.6167.5-71.9173.7171.91790111.2
12R27.6Very low30.3Very low239 Ų239151.5 Ų151.590%0.90280%0.803SS**  trans-141.7129.9148.9-69-167.9-166-177.74.9108.2G10G10-R12 PolarHBondContact O-N 3.04Å
13E29Very low30.7Very low196 Ų196155.4 Ų155.492%0.91682%0.816SS**PPolyproline II helixtrans-53.7133.6177-66.6169.7151.100110
14L30.3Very low30.9Very low161 Ų161154.2 Ų154.284%0.84381%0.811SS**PPolyproline II helixtrans-70.7138.2170.9-72.4161.3000108.4L16L14-L16 PolarHBondContact O-N 3.25Å
15P29.4Very low31.2Very low122 Ų122148.7 Ų148.779%0.79280%0.8SS**PPolyproline II helixtrans-67.4122.7174.127.9-30.3000108.8
16L29.1Very low31.6Very low166 Ų166143.4 Ų143.487%0.86979%0.786SS**PPolyproline II helixtrans-52.3139.7168.1-85.6146.9000110L14 G18L14-L16 PolarHBondContact O-N 3.25Å; L16-G18 PolarHBondContact O-N 3.34Å
17C33.2Very low31.6Very low136 Ų136141.2 Ų141.292%0.91978%0.776SS**SBendtrans-58.295.3176.4-159.10000109.4
18G33.7Very low32.2Very low73 Ų73140.3 Ų140.375%0.75377%0.765SS**  trans166.850.7-172.600000114.9L16L16-G18 PolarHBondContact O-N 3.34Å
19A28.8Very low32.2Very low98 Ų98137.7 Ų137.781%0.8176%0.756SS**  trans-151.7112.316200000110.1G21A19-G21 VanDerWaalsContact C-N 3.28Å; A19-G21 PolarHBondContact O-N 3.43Å
20R34.8Very low32.4Very low261 Ų261134.8 Ų134.899%0.98574%0.743SS**  trans-67.787.5167.5-75.7-179.2178.7-176.9-0.5108.6
21G28.9Very low32.8Very low56 Ų56137.2 Ų137.258%0.57774%0.739SS**  trans-104.1107.1164.300000109A19 F23A19-G21 VanDerWaalsContact C-N 3.28Å; A19-G21 PolarHBondContact O-N 3.43Å; G21-F23 VanDerWaalsContact C-N 3.32Å; G21-F23 PolarHBondContact O-N 3.4Å
22V32.4Very low33Very low147 Ų147133 Ų13389%0.89172%0.723SS**  trans-70.690.2172.9-179.60000107.8
23F30.5Very low33.5Very low188 Ų188126.8 Ų126.883%0.82571%0.707SS**  trans-84.2112.9162-90.1-87000107.8G21 G25G21-F23 VanDerWaalsContact C-N 3.32Å; G21-F23 PolarHBondContact O-N 3.4Å; F23-G25 PolarHBondContact O-N 3.08Å
24S30.9Very low34Very low64 Ų64121.6 Ų121.645%0.44868%0.683SS.*  trans-61.9115.2175.657.50000109.7S26 K27S24-S26 PolarHBondContact O-N 3.33Å; S24-K27 PolarHBondContact O-N 3.3Å
25G34.8Very low34.4Very low48 Ų48116.1 Ų116.150%0.49566%0.658SS.*THydrogen-bonded Turntrans-57.3-13.117900000115.2F23 K27 E29F23-G25 PolarHBondContact O-N 3.08Å; G25-K27 PolarHBondContact O-N 3.47Å; G25-E29 PolarHBondContact O-N 2.84Å
26S35.9Very low35Very low69 Ų69115.7 Ų115.748%0.48365%0.648SS.*Hα-helixtrans-64.5-36.6178.550.10000114.3S24 E30S24-S26 PolarHBondContact O-N 3.33Å; S26-E30 PolarHBondContact O-N 3.33Å
27K29.7Very low35.4Very low146 Ų146116 Ų11664%0.63564%0.638SS**Hα-helixtrans-73.6-31.5-177.7-87.2-176.7173.8-179.90113.4S24 G25 D31S24-K27 PolarHBondContact O-N 3.3Å; G25-K27 PolarHBondContact O-N 3.47Å; K27-D31 PolarHBondContact O-N 3.14Å
28I40.8Very low35.7Very low111 Ų111119.5 Ų119.557%0.56963%0.632SS**Hα-helixtrans-78.5-31.6-179.4-59.9173.5000110.6H32I28-H32 PolarHBondContact O-N 2.84Å
29E38.3Very low36Very low137 Ų137123.5 Ų123.564%0.6462%0.624SS**Hα-helixtrans-66.9-41.4170.4-82.3-178.3140.200112.4G25 H32 L33G25-E29 PolarHBondContact O-N 2.84Å; E29-H32 PolarHBondContact O-N 2.77Å; E29-L33 WeakPolarHBondContact O-CD1 3.37Å; E29-L33 PolarHBondContact O-N 2.81Å
30E36.8Very low36.3Very low128 Ų128124.6 Ų124.660%0.59862%0.616SS**Hα-helixtrans-62.1-47.1176.1-106.5178.815800112.2S26 H32 L33 E34S26-E30 PolarHBondContact O-N 3.33Å; E30-H32 VanDerWaalsContact C-N 3.26Å; E30-H32 PolarHBondContact O-N 2.86Å; E30-L33 PolarHBondContact O-N 3.04Å; E30-E34 WeakPolarHBondContact O-CB 3.39Å; E30-E34 PolarHBondContact O-N 3.33Å
31D35.8Very low36.2Very low119 Ų119117.6 Ų117.664%0.63660%0.604SS**Hα-helixtrans-63.3-30.7179.7-77.9-23.3000112.6K27 S35K27-D31 PolarHBondContact O-N 3.14Å; D31-S35 WeakPolarHBondContact O-CB 3.5Å; D31-S35 PolarHBondContact O-N 2.94Å; D31-S35 VanDerWaalsContact O-N 3.13Å
32H42.3Very low36.6Very low127 Ų127127.3 Ų127.359%0.58862%0.623SS**Hα-helixtrans-76-37.6175-117.1112.1000112.7I28 E29 E30 E34 S35 L36I28-H32 PolarHBondContact O-N 2.84Å; E29-H32 PolarHBondContact O-N 2.77Å; E30-H32 VanDerWaalsContact C-N 3.26Å; E30-H32 PolarHBondContact O-N 2.86Å; H32-E34 VanDerWaalsContact C-N 3.34Å; H32-S35 WeakPolarHBondContact O-CB 3.38Å; H32-S35 PolarHBondContact O-N 3.04Å; H32-L36 PolarHBondContact O-N 3.33Å
33L39.2Very low36.8Very low110 Ų110123.6 Ų123.658%0.57661%0.614SS**Hα-helixtrans-65.8-36.2172.1-99.8106.8000112E29 E30 L36 R37E29-L33 WeakPolarHBondContact O-CD1 3.37Å; E29-L33 PolarHBondContact O-N 2.81Å; E30-L33 PolarHBondContact O-N 3.04Å; L33-L36 WeakPolarHBondContact O-CB 3.48Å; L33-L36 PolarHBondContact O-N 3.13Å; L33-R37 PolarHBondContact O-N 2.9Å
34E38.5Very low37.1Very low86 Ų86122 Ų12240%0.40261%0.614SS.*Hα-helixtrans-66-38.7174.9-151.286-128.500111.2E30 H32 R37 R38E30-E34 WeakPolarHBondContact O-CB 3.39Å; E30-E34 PolarHBondContact O-N 3.33Å; H32-E34 VanDerWaalsContact C-N 3.34Å; E34-R37 PolarHBondContact O-N 3.16Å; E34-R38 WeakPolarHBondContact O-CG 3.49Å; E34-R38 PolarHBondContact O-N 3.04Å; E34-R38 VanDerWaalsContact O-N 3.08Å
35S39.1Very low37.2Very low46 Ų46128 Ų12832%0.32264%0.637SS.*Hα-helixtrans-64.9-38.2173.3-179.10000112.6D31 H32 R38 R39D31-S35 WeakPolarHBondContact O-CB 3.5Å; D31-S35 PolarHBondContact O-N 2.94Å; D31-S35 VanDerWaalsContact O-N 3.13Å; H32-S35 WeakPolarHBondContact O-CB 3.38Å; H32-S35 PolarHBondContact O-N 3.04Å; S35-R38 PolarHBondContact O-N 3.36Å; S35-R39 WeakPolarHBondContact O-CG 3.48Å
36L41Very low37.4Very low113 Ų113131.3 Ų131.359%0.59265%0.652SS**Hα-helixtrans-65.8-40.3172-90.4148000112.4H32 L33 R38 R39H32-L36 PolarHBondContact O-N 3.33Å; L33-L36 WeakPolarHBondContact O-CB 3.48Å; L33-L36 PolarHBondContact O-N 3.13Å; L36-R38 VanDerWaalsContact C-N 3.31Å; L36-R38 PolarHBondContact O-N 3.45Å; L36-R39 PolarHBondContact O-N 2.9Å
37R37.6Very low36.9Very low174 Ų174134.6 Ų134.666%0.65766%0.664SS**Hα-helixtrans-62.3-35.9173.8-82.3-179.5174.3168.30.4112.9L33 E34 R39L33-R37 PolarHBondContact O-N 2.9Å; E34-R37 PolarHBondContact O-N 3.16Å; R37-R39 PolarHBondContact O-N 3.19Å
38R39.3Very low37.2Very low208 Ų208139.9 Ų139.979%0.78568%0.68SS**THydrogen-bonded Turntrans-72.2-12.2178.5-72.3177.4-174.9-168.63.8114.3E34 S35 L36E34-R38 WeakPolarHBondContact O-CG 3.49Å; E34-R38 PolarHBondContact O-N 3.04Å; E34-R38 VanDerWaalsContact O-N 3.08Å; S35-R38 PolarHBondContact O-N 3.36Å; L36-R38 VanDerWaalsContact C-N 3.31Å; L36-R38 PolarHBondContact O-N 3.45Å
39R41.3Very low36.7Very low157 Ų157138.8 Ų138.859%0.59268%0.678SS**THydrogen-bonded Turntrans-95.5-2.4179.5-71.6178.4-177.6-172.52.1114.3S35 L36 R37S35-R39 WeakPolarHBondContact O-CG 3.48Å; L36-R39 PolarHBondContact O-N 2.9Å; R37-R39 PolarHBondContact O-N 3.19Å
40L34.1Very low36.7Very low121 Ų121137.9 Ų137.963%0.63469%0.687SS**SBendtrans-81.1137.3168.6-73.2162.1000109.4R42L40-R42 PolarHBondContact O-N 3.43Å
41P32.2Very low36.7Very low115 Ų115135.6 Ų135.675%0.74770%0.698SS**  trans-57132.7-179.920.5-29.8000110.8G43P41-G43 VanDerWaalsContact C-N 3.31Å; P41-G43 PolarHBondContact O-N 3.19Å
42R38.8Very low36.6Very low260 Ų260137.4 Ų137.498%0.98170%0.704SS**THydrogen-bonded Turntrans-6887.7178.3-67.5-176.1-174.2-174.61.8109.4L40L40-R42 PolarHBondContact O-N 3.43Å
43G37.1Very low36.4Very low68 Ų68136.6 Ų136.670%0.70171%0.713SS**THydrogen-bonded Turntrans-175.310.5178.900000115.5P41P41-G43 VanDerWaalsContact C-N 3.31Å; P41-G43 PolarHBondContact O-N 3.19Å
44L36.8Very low36.6Very low155 Ų155137.7 Ų137.781%0.81272%0.724SS**  trans-133.555.9178.4-132.587000110.9
45M32.7Very low37.1Very low190 Ų190139 Ų13994%0.93673%0.728SS**SBendtrans-106.7124.1159.9-97.1-165.2162.900107.9
46S38.7Very low37.9Very low117 Ų117140.9 Ų140.982%0.81874%0.739SS**  trans81.376.7-175.1-162.90000115.8
47L25.4Very low39Very low138 Ų138141.3 Ų141.372%0.72375%0.749SS**  trans-146.7100.5144-108.4143.6000107.2V49L47-V49 VanDerWaalsContact C-N 3.25Å; L47-V49 HydrophobicContact CB-CG2 4.05Å; L47-V49 HydrophobicContact CD2-CG2 3.62Å; L47-V49 HydrophobicContact CG-CG2 4.45Å; L47-V49 PolarHBondContact O-N 3.03Å
48R35.1Very low40.8Very low258 Ų258134.7 Ų134.797%0.97473%0.728SS**  trans-6197158.5-88-177.9173.3178.1-1.7106
49V31.9Very low42.7Very low88 Ų88131.3 Ų131.353%0.53372%0.715SS.*  trans-113.5107.2167.7178.90000106.6L47 G51L47-V49 VanDerWaalsContact C-N 3.25Å; L47-V49 HydrophobicContact CB-CG2 4.05Å; L47-V49 HydrophobicContact CD2-CG2 3.62Å; L47-V49 HydrophobicContact CG-CG2 4.45Å; L47-V49 PolarHBondContact O-N 3.03Å; V49-G51 PolarHBondContact O-N 3.22Å
50S36.4Very low44.4Very low117 Ų117135.5 Ų135.582%0.81873%0.731SS**THydrogen-bonded Turntrans-51.2119.4163.2440000110.2
51G37.9Very low46.7Very low80 Ų80132.7 Ų132.783%0.82572%0.716SS**THydrogen-bonded Turntrans90.626.9149.900000119.5V49V49-G51 PolarHBondContact O-N 3.22Å
52M33.4Very low49.4Very low157 Ų157127.8 Ų127.877%0.77368%0.683SS**  trans-130.3122.9169.7-64.1-176.576.900111.5V54M52-V54 PolarHBondContact O-N 2.98Å
53S37.3Very low51.8Low110 Ų110118.5 Ų118.577%0.76966%0.655SS**  trans-59.8123.3179530000111.1F55S53-F55 PolarHBondContact O-N 2.88Å
54V44.6Very low54.2Low133 Ų133115.5 Ų115.581%0.80662%0.623SS**SBendtrans-70.93.3-174.2-179.90000113.7M52M52-V54 PolarHBondContact O-N 2.98Å
55F48.5Very low56.4Low113 Ų113111.6 Ų111.650%0.49661%0.613SS.*SBendtrans-108.8144.3-176.5-65.1-70.4000111.9S53S53-F55 PolarHBondContact O-N 2.88Å
56P55Low58.8Low86 Ų86110.1 Ų110.156%0.55860%0.604SS**PPolyproline II helixtrans-58.1145.9174.221.4-29.8000110.4
57P65.6Low60.8Low122 Ų122105 Ų10579%0.79257%0.568SS**PPolyproline II helixtrans-58.2147.6-173.621.5-31.5000111.8R59P57-R59 PolarHBondContact O-N 2.9Å
58V75.3Confident63.5Low35 Ų3599.6 Ų99.621%0.21254%0.54CS..PPolyproline II helixtrans-56.3136.9173.5179.20000108.7R60 R62 R144 E146V58-R60 PolarHBondContact O-N 2.9Å; V58-R62 HydrophobicContact CG1-CB 3.94Å; V58-R144 HydrophobicContact CG2-CB 4.4Å; V58-E146 HydrophobicContact CG1-CB 4.17Å; V58-E146 HydrophobicContact CG2-CB 4.48Å
59R78.8Confident65.7Low138 Ų13894.3 Ų94.352%0.52153%0.527SS..PPolyproline II helixtrans-62.5137.3176.6-59.9172.858.8147.62.8108.9P57 D61 R62P57-R59 PolarHBondContact O-N 2.9Å; R59-D61 WeakPolarHBondContact CB-OD1 3.46Å; R59-D61 IonicContact CZ-OD1 2.86Å; R59-D61 IonicContact NE-OD1 2.68Å; R59-D61 PolarHBondContact NE-OD1 2.68Å; R59-D61 VanDerWaalsContact NE-OD1 3.16Å; R59-D61 IonicContact NH2-OD1 3.9Å; R59-D61 IonicContact NH2-OD2 3.01Å; R59-D61 PolarHBondContact O-N 2.95Å; R59-R62 HydrophobicContact CB-CG 4.12Å; R59-R62 WeakPolarHBondContact O-CB 3.09Å; R59-R62 PolarHBondContact O-N 3.35Å
60R76.4Confident67.7Low245 Ų24591.3 Ų91.393%0.92551%0.511SS*.G310 helixtrans-57-27-178.4-65.5-177.7-177169.30.5112.9V58 R62V58-R60 PolarHBondContact O-N 2.9Å; R60-R62 PolarHBondContact O-N 3.46Å
61D83.8Confident69.4Low61 Ų6187.8 Ų87.833%0.32648%0.481SS..G310 helixtrans-85.619.7176.571.8-49.4000113.9R59 F261R59-D61 WeakPolarHBondContact CB-OD1 3.46Å; R59-D61 IonicContact CZ-OD1 2.86Å; R59-D61 IonicContact NE-OD1 2.68Å; R59-D61 PolarHBondContact NE-OD1 2.68Å; R59-D61 VanDerWaalsContact NE-OD1 3.16Å; R59-D61 IonicContact NH2-OD1 3.9Å; R59-D61 IonicContact NH2-OD2 3.01Å; R59-D61 PolarHBondContact O-N 2.95Å; D61-F261 VanDerWaalsContact O-CZ 3.24Å; D61-F261 WeakPolarHBondContact O-CZ 3.28Å
62R88.4Confident71Confident13 Ų1388.5 Ų88.55%0.04946%0.459CS..G310 helixtrans-130.726.7177.8-63.2-68.1-177.6-89.50.9112.9V58 R59 R60 F123 E143 R144 F145 E146V58-R62 HydrophobicContact CG1-CB 3.94Å; R59-R62 HydrophobicContact CB-CG 4.12Å; R59-R62 WeakPolarHBondContact O-CB 3.09Å; R59-R62 PolarHBondContact O-N 3.35Å; R60-R62 PolarHBondContact O-N 3.46Å; R62-F123 PolarHBondContact NH2-O 3.36Å; R62-E143 IonicContact CZ-OE1 3.96Å; R62-E143 IonicContact NE-OE1 3.4Å; R62-E143 PolarHBondContact NE-OE1 3.45Å; R62-E143 IonicContact NH2-OE1 3.93Å; R62-R144 WeakPolarHBondContact CB-O 3.39Å; R62-F145 HydrophobicContact CB-CD1 4.26Å; R62-F145 VanDerWaalsContact O-CA 3.32Å; R62-F145 WeakPolarHBondContact O-CA 3.37Å; R62-E146 PolarHBondContact O-N 3.49Å
63V88.6Confident72.5Confident65 Ų6588 Ų8839%0.39445%0.452SS..EExtended strand (participates in β ladder)trans-96.5129.6176.3-176.30000110E146V63-E146 CarbonylContact C-O 3.54Å; V63-E146 WeakPolarHBondContact CA-O 3.33Å; V63-E146 HydrophobicContact CG2-CB 4.3Å
64I87.9Confident73.7Confident4 Ų488.8 Ų88.82%0.02144%0.444CS..EExtended strand (participates in β ladder)trans-120.198.5-179.6-54.9-176.7000108.4Q66 P68 F83 F145 E146 V147 L148 F261 A264 A265I64-Q66 WeakPolarHBondContact CG2-O 3.4Å; I64-P68 HydrophobicContact CG2-CG 4.22Å; I64-F83 HydrophobicContact CG2-CE2 4.36Å; I64-F83 HydrophobicContact CG2-CZ 4.05Å; I64-F145 HydrophobicContact CD1-CD1 3.86Å; I64-F145 HydrophobicContact CD1-CE1 4.29Å; I64-F145 HydrophobicContact CG1-CD1 4.38Å; I64-E146 PolarHBondContact N-O 3.35Å; I64-V147 HydrophobicContact CB-CB 4.5Å; I64-V147 HydrophobicContact CB-CG1 4.25Å; I64-V147 HydrophobicContact CB-CG2 4.22Å; I64-V147 HydrophobicContact CD1-CG2 4.19Å; I64-V147 HydrophobicContact CG1-CG2 4.49Å; I64-V147 HydrophobicContact CG2-CG1 4.29Å; I64-V147 WeakPolarHBondContact O-CA 3.46Å; I64-L148 PolarHBondContact O-N 3.04Å; I64-F261 HydrophobicContact CD1-CB 4.34Å; I64-F261 HydrophobicContact CD1-CD1 3.94Å; I64-F261 HydrophobicContact CD1-CG 4.22Å; I64-F261 WeakPolarHBondContact CD1-O 3.13Å; I64-F261 HydrophobicContact CG1-CD1 3.72Å; I64-F261 HydrophobicContact CG1-CE1 3.93Å; I64-F261 HydrophobicContact CG1-CG 4.47Å; I64-A264 HydrophobicContact CD1-CB 3.93Å; I64-A265 HydrophobicContact CD1-CB 4.46Å; I64-A265 HydrophobicContact CG2-CB 4.2Å
65A83Confident74.5Confident73 Ų7382.9 Ų82.960%0.60341%0.409SS*.SBendtrans-92.5-22177.800000113.2L148A65-L148 WeakPolarHBondContact O-CD2 3.47Å
66Q83.7Confident75.2Confident160 Ų16078.2 Ų78.275%0.74839%0.391SS*.SBendtrans-134.3153.3-179.1-62.3178.517.800109I64 P68I64-Q66 WeakPolarHBondContact CG2-O 3.4Å; Q66-P68 VanDerWaalsContact O-CD 3.28Å; Q66-P68 WeakPolarHBondContact O-CD 3.45Å
67L80.6Confident75.5Confident10 Ų1078.1 Ų78.15%0.05239%0.386CS..PPolyproline II helixtrans-68119.5-179.2-176.562.5000108.7T80 F83 A265 L266L67-T80 WeakPolarHBondContact CD2-O 3.2Å; L67-F83 HydrophobicContact CB-CD2 4.15Å; L67-F83 HydrophobicContact CB-CE2 4.16Å; L67-F83 HydrophobicContact CB-CG 4.4Å; L67-F83 HydrophobicContact CB-CZ 4.41Å; L67-F83 HydrophobicContact CD1-CD1 4.22Å; L67-F83 HydrophobicContact CD1-CE1 3.88Å; L67-F83 HydrophobicContact CD1-CZ 4.17Å; L67-A265 HydrophobicContact CD1-CB 3.64Å; L67-L266 HydrophobicContact CD1-CD2 4.06Å
68P81.4Confident75.2Confident23 Ų2376 Ų7615%0.14937%0.365CS..PPolyproline II helixtrans-60.8142.9178.8-24.536.6000110.6I64 Q66 F261 R262 A265I64-P68 HydrophobicContact CG2-CG 4.22Å; Q66-P68 VanDerWaalsContact O-CD 3.28Å; Q66-P68 WeakPolarHBondContact O-CD 3.45Å; P68-F261 HydrophobicContact CB-CB 4.36Å; P68-F261 HydrophobicContact CG-CB 3.9Å; P68-R262 HydrophobicContact CB-CB 4.29Å; P68-R262 WeakPolarHBondContact O-CD 3.33Å; P68-R262 PolarHBondContact O-NH1 3.13Å; P68-A265 VanDerWaalsContact CD-CB 3.46Å; P68-A265 HydrophobicContact CG-CB 4.21Å
69Q80.7Confident74.6Confident148 Ų14880.2 Ų80.269%0.69239%0.385SS*.PPolyproline II helixtrans-68.5148.3178.8-66.7-173.2-300111W246Q69-W246 WeakPolarHBondContact O-CH2 3.29Å; Q69-W246 WeakPolarHBondContact O-CZ2 3.38Å
70A75Confident74Confident25 Ų2577.6 Ų77.621%0.20739%0.385CS..PPolyproline II helixtrans-68.9158.2169.600000110.9R72 A76A70-R72 VanDerWaalsContact C-N 3.31Å; A70-R72 PolarHBondContact O-N 3.44Å; A70-A76 HydrophobicContact CB-CB 3.35Å
71F72.3Confident73.8Confident43 Ų4372 Ų7219%0.18937%0.369CS..SBendtrans-57-42.5179.5-177.9-122.4000113Y245 W246 A247 N255F71-Y245 HydrophobicContact CD1-CD1 4.35Å; F71-Y245 HydrophobicContact CD1-CE1 4.39Å; F71-Y245 HydrophobicContact CE1-CE1 4.21Å; F71-W246 HydrophobicContact CB-CD2 3.66Å; F71-W246 HydrophobicContact CB-CE3 3.8Å; F71-W246 HydrophobicContact CB-CG 4.07Å; F71-W246 HydrophobicContact CB-CH2 4.36Å; F71-W246 HydrophobicContact CB-CZ2 4.25Å; F71-W246 HydrophobicContact CB-CZ3 4.15Å; F71-W246 HydrophobicContact CD2-CE3 4.25Å; F71-W246 HydrophobicContact CD2-CZ3 4.49Å; F71-W246 HydrophobicContact CG-CD2 4.46Å; F71-W246 HydrophobicContact CG-CE3 4.3Å; F71-A247 HydrophobicContact CE1-CB 3.88Å; F71-A247 HydrophobicContact CZ-CB 3.86Å; F71-N255 WeakPolarHBondContact CE2-ND2 3.32Å
72R71.3Confident73.8Confident95 Ų9574.6 Ų74.636%0.35838%0.379SS..  trans-144.7151.9170.2-69.6-166.5177.2164.58.6110.7A70 E74 A75 A76 E231A70-R72 VanDerWaalsContact C-N 3.31Å; A70-R72 PolarHBondContact O-N 3.44Å; R72-E74 VanDerWaalsContact C-N 3.26Å; R72-E74 PolarHBondContact O-N 3.11Å; R72-A75 HydrophobicContact CB-CB 3.94Å; R72-A75 PolarHBondContact O-N 3.5Å; R72-A75 VanDerWaalsContact O-N 3.12Å; R72-A76 PolarHBondContact O-N 3.02Å; R72-E231 IonicContact CZ-OE1 3.81Å; R72-E231 IonicContact CZ-OE2 3.13Å; R72-E231 IonicContact NE-OE1 3.87Å; R72-E231 IonicContact NH1-OE1 2.73Å; R72-E231 PolarHBondContact NH1-OE1 3.07Å; R72-E231 IonicContact NH1-OE2 3.39Å; R72-E231 PolarHBondContact NH1-OE2 2.92Å; R72-E231 IonicContact NH2-OE1 2.66Å; R72-E231 PolarHBondContact NH2-OE1 3.37Å; R72-E231 IonicContact NH2-OE2 2.64Å; R72-E231 PolarHBondContact NH2-OE2 3.04Å
73K64.9Low73.6Confident146 Ų14674.3 Ų74.364%0.63538%0.378SS*.G310 helixtrans-62.5-34.6177.3-66.9-168.7177.5-1680111.9A75K73-A75 VanDerWaalsContact C-N 3.29Å; K73-A75 PolarHBondContact O-N 3.18Å
74E63Low73.4Confident126 Ų12674.4 Ų74.459%0.58938%0.377SS*.G310 helixtrans-80.1-11.3178.7-4778.7-159.200113.6R72R72-E74 VanDerWaalsContact C-N 3.26Å; R72-E74 PolarHBondContact O-N 3.11Å
75A61.1Low73.4Confident9 Ų979.7 Ų79.77%0.07441%0.405CS..G310 helixtrans-102.5-5.5-179.500000112.9R72 K73 E244 Y245R72-A75 HydrophobicContact CB-CB 3.94Å; R72-A75 PolarHBondContact O-N 3.5Å; R72-A75 VanDerWaalsContact O-N 3.12Å; K73-A75 VanDerWaalsContact C-N 3.29Å; K73-A75 PolarHBondContact O-N 3.18Å; A75-E244 WeakPolarHBondContact O-CA 3.4Å; A75-Y245 HydrophobicContact CB-CD1 4.47Å; A75-Y245 PolarHBondContact O-N 2.93Å
76A63.6Low73.5Confident15 Ų1583.1 Ų83.112%0.12441%0.406CS..  trans-95.4132.4-177.300000111.4A70 R72A70-A76 HydrophobicContact CB-CB 3.35Å; R72-A76 PolarHBondContact O-N 3.02Å
77L60.8Low73.6Confident84 Ų8475.5 Ų75.544%0.4437%0.37SS..SBendtrans-78.5-32.3164.7-71.4174.4000111.7H242L77-H242 HydrophobicContact CD1-CB 4.2Å; L77-H242 WeakPolarHBondContact CD1-O 3.32Å
78H59.4Low73.9Confident78 Ų7879 Ų7936%0.36138%0.383SS..  trans-105.596.5178.9-59.190.9000109.2T80 R262 L266H78-T80 PolarHBondContact O-N 3.06Å; H78-R262 PolarHBondContact O-NH2 3.28Å; H78-L266 HydrophobicContact CB-CD2 4.23Å
79I62.2Low74Confident123 Ų12382.2 Ų82.263%0.63140%0.397SS*.  trans-79.6-10.5-177.8-51.8172.1000111.5E81I79-E81 PolarHBondContact O-N 3.3Å
80T66.1Low74.1Confident84 Ų8475.6 Ų75.652%0.51537%0.368SS..  trans-66.6133-178.852.30000111.2L67 H78 E82L67-T80 WeakPolarHBondContact CD2-O 3.2Å; H78-T80 PolarHBondContact O-N 3.06Å; T80-E82 VanDerWaalsContact C-N 3.31Å
81E72.8Confident74.5Confident127 Ų12775.1 Ų75.159%0.59336%0.363SS*.SBendtrans-86.4-6.6178.3-62.2-174.9173.100112.4I79I79-E81 PolarHBondContact O-N 3.3Å
82E82.9Confident74.9Confident115 Ų11580.2 Ų80.254%0.53739%0.385SS..SBendtrans-128.3152.5-178.9-59.3-164.5163.400112.1T80 R88T80-E82 VanDerWaalsContact C-N 3.31Å; E82-R88 IonicContact OE1-NH1 4Å; E82-R88 IonicContact OE2-NH1 3.22Å; E82-R88 PolarHBondContact OE2-NH1 3.34Å
83F84.6Confident74.9Confident8 Ų879.8 Ų79.84%0.03539%0.387CS..  trans-60.5146.3166.4-70.5-77000111I64 L67 N85 R88 V147 L148 A265 E269I64-F83 HydrophobicContact CG2-CE2 4.36Å; I64-F83 HydrophobicContact CG2-CZ 4.05Å; L67-F83 HydrophobicContact CB-CD2 4.15Å; L67-F83 HydrophobicContact CB-CE2 4.16Å; L67-F83 HydrophobicContact CB-CG 4.4Å; L67-F83 HydrophobicContact CB-CZ 4.41Å; L67-F83 HydrophobicContact CD1-CD1 4.22Å; L67-F83 HydrophobicContact CD1-CE1 3.88Å; L67-F83 HydrophobicContact CD1-CZ 4.17Å; F83-N85 PolarHBondContact O-N 2.76Å; F83-R88 HydrophobicContact CB-CG 3.81Å; F83-R88 WeakPolarHBondContact O-CD 3.46Å; F83-V147 HydrophobicContact CE1-CG1 4.09Å; F83-V147 HydrophobicContact CE2-CG1 4.43Å; F83-V147 HydrophobicContact CZ-CG1 3.63Å; F83-L148 HydrophobicContact CB-CD1 4.24Å; F83-L148 HydrophobicContact CD1-CD1 4.4Å; F83-L148 HydrophobicContact CD2-CD1 3.86Å; F83-L148 HydrophobicContact CD2-CD2 3.79Å; F83-L148 HydrophobicContact CD2-CG 4.01Å; F83-L148 HydrophobicContact CE2-CD1 4.25Å; F83-L148 HydrophobicContact CE2-CD2 3.88Å; F83-L148 HydrophobicContact CE2-CG 3.98Å; F83-L148 HydrophobicContact CG-CD1 3.93Å; F83-L148 HydrophobicContact CZ-CG 4.5Å; F83-A265 HydrophobicContact CE1-CB 3.93Å; F83-A265 HydrophobicContact CZ-CB 3.8Å; F83-E269 WeakPolarHBondContact CA-OE1 3.46Å; F83-E269 HydrophobicContact CD1-CB 4.27Å
84N85.3Confident74.8Confident67 Ų6780.2 Ų80.236%0.35839%0.391SS..  trans-51.6133.4175.1-171.2-60.1000111.2K86 V87 R88 E269N84-K86 PolarHBondContact O-N 3.19Å; N84-K86 VanDerWaalsContact O-N 3.15Å; N84-K86 WeakPolarHBondContact OD1-CB 2.83Å; N84-K86 PolarHBondContact OD1-N 3.2Å; N84-V87 HydrophobicContact CB-CB 4.42Å; N84-V87 HydrophobicContact CB-CG2 4.11Å; N84-V87 WeakPolarHBondContact O-CA 3.35Å; N84-V87 WeakPolarHBondContact O-CB 3.48Å; N84-V87 PolarHBondContact O-N 2.92Å; N84-R88 PolarHBondContact O-N 3.5Å; N84-E269 WeakPolarHBondContact CB-OE1 3.42Å; N84-E269 PolarHBondContact N-OE1 3.38Å
85N86.3Confident74.3Confident114 Ų11483.4 Ų83.461%0.6140%0.398SS*.Hα-helixtrans-54.5-37.2-178.7-75.9-23.3000112.8F83 V87 R88 M89F83-N85 PolarHBondContact O-N 2.76Å; N85-V87 VanDerWaalsContact C-N 3.33Å; N85-V87 PolarHBondContact O-N 2.9Å; N85-R88 PolarHBondContact O-N 3.42Å; N85-M89 WeakPolarHBondContact O-CB 3.37Å; N85-M89 VanDerWaalsContact O-CG 3.24Å; N85-M89 WeakPolarHBondContact O-CG 3.37Å; N85-M89 PolarHBondContact O-N 3.19Å
86K85.9Confident74Confident145 Ų14584.5 Ų84.563%0.6340%0.404SS*.Hα-helixtrans-62.2-40.9176.2-64.1-178.4-179.2177.70111.7N84 A90 L273 L276N84-K86 PolarHBondContact O-N 3.19Å; N84-K86 VanDerWaalsContact O-N 3.15Å; N84-K86 WeakPolarHBondContact OD1-CB 2.83Å; N84-K86 PolarHBondContact OD1-N 3.2Å; K86-A90 VanDerWaalsContact O-CB 3.26Å; K86-A90 WeakPolarHBondContact O-CB 3.24Å; K86-A90 PolarHBondContact O-N 3.14Å; K86-L273 HydrophobicContact CB-CD2 4.35Å; K86-L276 HydrophobicContact CB-CD1 4.17Å
87V85.6Confident73.1Confident0 Ų086.9 Ų86.90%043%0.429CS..Hα-helixtrans-67.4-46.3177.6175.10000110.6N84 N85 M89 A90 C91 L148 F268 E269 V272 L273N84-V87 HydrophobicContact CB-CB 4.42Å; N84-V87 HydrophobicContact CB-CG2 4.11Å; N84-V87 WeakPolarHBondContact O-CA 3.35Å; N84-V87 WeakPolarHBondContact O-CB 3.48Å; N84-V87 PolarHBondContact O-N 2.92Å; N85-V87 VanDerWaalsContact C-N 3.33Å; N85-V87 PolarHBondContact O-N 2.9Å; V87-M89 VanDerWaalsContact C-N 3.34Å; V87-M89 PolarHBondContact O-N 3.04Å; V87-A90 PolarHBondContact O-N 2.96Å; V87-C91 PolarHBondContact O-N 3.3Å; V87-C91 PolarHBondContact O-SG 2.92Å; V87-L148 HydrophobicContact CG1-CD1 4.2Å; V87-F268 HydrophobicContact CG1-CD1 4.49Å; V87-F268 HydrophobicContact CG1-CE1 3.97Å; V87-E269 HydrophobicContact CG2-CG 4.19Å; V87-V272 HydrophobicContact CB-CG1 4.24Å; V87-V272 HydrophobicContact CG1-CB 4.11Å; V87-V272 HydrophobicContact CG1-CG1 4.01Å; V87-V272 HydrophobicContact CG1-CG2 4.24Å; V87-V272 HydrophobicContact CG2-CB 4Å; V87-V272 HydrophobicContact CG2-CG1 3.87Å; V87-L273 HydrophobicContact CG2-CD1 4.48Å; V87-L273 HydrophobicContact CG2-CD2 3.74Å; V87-L273 HydrophobicContact CG2-CG 3.7Å
88R86.2Confident72.4Confident83 Ų8389.7 Ų89.731%0.31345%0.45SS..Hα-helixtrans-59.1-45.1177.1-65.2-179.175.6175.85111.6E82 F83 N84 N85 C91 K92 L148E82-R88 IonicContact OE1-NH1 4Å; E82-R88 IonicContact OE2-NH1 3.22Å; E82-R88 PolarHBondContact OE2-NH1 3.34Å; F83-R88 HydrophobicContact CB-CG 3.81Å; F83-R88 WeakPolarHBondContact O-CD 3.46Å; N84-R88 PolarHBondContact O-N 3.5Å; N85-R88 PolarHBondContact O-N 3.42Å; R88-C91 PolarHBondContact O-N 3.24Å; R88-K92 WeakPolarHBondContact O-CB 3.41Å; R88-K92 WeakPolarHBondContact O-CG 3.46Å; R88-K92 PolarHBondContact O-N 2.99Å; R88-L148 HydrophobicContact CG-CD1 4.33Å
89M84Confident71.8Confident92 Ų9287.7 Ų87.745%0.45344%0.444SS..Hα-helixtrans-65.4-45.2177.6-68.9-57.4-65.700111.7N85 V87 C91 K92 E93N85-M89 WeakPolarHBondContact O-CB 3.37Å; N85-M89 VanDerWaalsContact O-CG 3.24Å; N85-M89 WeakPolarHBondContact O-CG 3.37Å; N85-M89 PolarHBondContact O-N 3.19Å; V87-M89 VanDerWaalsContact C-N 3.34Å; V87-M89 PolarHBondContact O-N 3.04Å; M89-C91 VanDerWaalsContact C-N 3.31Å; M89-C91 PolarHBondContact O-N 2.77Å; M89-K92 PolarHBondContact O-N 2.91Å; M89-E93 WeakPolarHBondContact O-CB 3.24Å; M89-E93 WeakPolarHBondContact O-CG 3.41Å; M89-E93 PolarHBondContact O-N 2.85Å
90A83.1Confident71.3Confident9 Ų984.7 Ų84.77%0.07444%0.443CS..Hα-helixtrans-59.6-39.9177.700000112.8K86 V87 V272 L276K86-A90 VanDerWaalsContact O-CB 3.26Å; K86-A90 WeakPolarHBondContact O-CB 3.24Å; K86-A90 PolarHBondContact O-N 3.14Å; V87-A90 PolarHBondContact O-N 2.96Å; A90-V272 HydrophobicContact CB-CG1 4.36Å; A90-L276 HydrophobicContact CB-CD1 4.06Å; A90-L276 HydrophobicContact CB-CD2 4.02Å
91C83.1Confident71Confident14 Ų1483.7 Ų83.710%0.09543%0.431CS..Hα-helixtrans-69.1-42.8176.3-61.50000111.9V87 R88 M89 Q94 L148 V150V87-C91 PolarHBondContact O-N 3.3Å; V87-C91 PolarHBondContact O-SG 2.92Å; R88-C91 PolarHBondContact O-N 3.24Å; M89-C91 VanDerWaalsContact C-N 3.31Å; M89-C91 PolarHBondContact O-N 2.77Å; C91-Q94 PolarHBondContact O-N 2.64Å; C91-L148 HydrophobicContact CB-CB 4.12Å; C91-V150 HydrophobicContact CB-CG2 4.18Å
92K80.1Confident71.3Confident150 Ų15078.1 Ų78.165%0.65241%0.405SS*.Hα-helixtrans-65.7-42.2179.9-78.7179.9178.5-1760113.3R88 M89 Q94R88-K92 WeakPolarHBondContact O-CB 3.41Å; R88-K92 WeakPolarHBondContact O-CG 3.46Å; R88-K92 PolarHBondContact O-N 2.99Å; M89-K92 PolarHBondContact O-N 2.91Å; K92-Q94 PolarHBondContact O-N 3.31Å
93E71.3Confident71.7Confident86 Ų8675.6 Ų75.640%0.40240%0.395SS..THydrogen-bonded Turntrans-75.7-0.2-175.5-67.6177.5164.400112.9M89 R95M89-E93 WeakPolarHBondContact O-CB 3.24Å; M89-E93 WeakPolarHBondContact O-CG 3.41Å; M89-E93 PolarHBondContact O-N 2.85Å; E93-R95 HydrophobicContact CB-CB 4.22Å; E93-R95 HydrophobicContact CB-CG 3.9Å; E93-R95 PolarHBondContact O-N 2.83Å; E93-R95 IonicContact OE1-NH1 3.68Å; E93-R95 WeakPolarHBondContact OE2-CD 3.34Å; E93-R95 IonicContact OE2-CZ 3.93Å; E93-R95 IonicContact OE2-NE 3.03Å; E93-R95 PolarHBondContact OE2-NE 2.78Å; E93-R95 IonicContact OE2-NH1 3.91Å; E93-R95 PolarHBondContact OE2-NH1 3.34Å
94Q63Low72.1Confident156 Ų15675.2 Ų75.273%0.72939%0.393SS*.THydrogen-bonded Turntrans48.917.7-169.1-62.2-177.9-9.100113C91 K92 T96 G97C91-Q94 PolarHBondContact O-N 2.64Å; K92-Q94 PolarHBondContact O-N 3.31Å; Q94-T96 CarbonylContact O-C 3.38Å; Q94-T96 PolarHBondContact O-N 2.66Å; Q94-G97 PolarHBondContact O-N 2.92Å; Q94-G97 VanDerWaalsContact O-N 3.14Å
95R53.6Low72.6Confident192 Ų19273.8 Ų73.873%0.72538%0.384SS*.  trans-66.3-0.5169.8-79.3-169.9-176.4153.8-8.4112.1E93 G97E93-R95 HydrophobicContact CB-CB 4.22Å; E93-R95 HydrophobicContact CB-CG 3.9Å; E93-R95 PolarHBondContact O-N 2.83Å; E93-R95 IonicContact OE1-NH1 3.68Å; E93-R95 WeakPolarHBondContact OE2-CD 3.34Å; E93-R95 IonicContact OE2-CZ 3.93Å; E93-R95 IonicContact OE2-NE 3.03Å; E93-R95 PolarHBondContact OE2-NE 2.78Å; E93-R95 IonicContact OE2-NH1 3.91Å; E93-R95 PolarHBondContact OE2-NH1 3.34Å; R95-G97 PolarHBondContact O-N 2.77Å
96T54.1Low73.1Confident33 Ų3368.3 Ų68.320%0.20236%0.355CS..  trans-59.534.114758.90000112.8Q94 T98 V99 V150Q94-T96 CarbonylContact O-C 3.38Å; Q94-T96 PolarHBondContact O-N 2.66Å; T96-T98 PolarHBondContact O-N 2.91Å; T96-V99 HydrophobicContact CG2-CB 4.36Å; T96-V99 HydrophobicContact CG2-CG2 3.74Å; T96-V99 WeakPolarHBondContact O-CB 3.32Å; T96-V99 WeakPolarHBondContact O-CG2 3.26Å; T96-V99 PolarHBondContact O-N 2.95Å; T96-V150 HydrophobicContact CG2-CG2 4.48Å
97G45.5Very low73.6Confident64 Ų6461.4 Ų61.466%0.6633%0.325SS*.THydrogen-bonded Turntrans-66.413.7-170.100000115.2Q94 R95Q94-G97 PolarHBondContact O-N 2.92Å; Q94-G97 VanDerWaalsContact O-N 3.14Å; R95-G97 PolarHBondContact O-N 2.77Å
98T45.6Very low74.1Confident143 Ų14361.4 Ų61.488%0.87733%0.325SS*.THydrogen-bonded Turntrans-154.121.1170.7-17.20000111T96 G100T96-T98 PolarHBondContact O-N 2.91Å; T98-G100 PolarHBondContact O-N 2.85Å
99V47.8Very low74.5Confident37 Ų3757.5 Ų57.522%0.22431%0.31CS..  trans-81.173.6-176.7-1760000108.8T96 F101 K102 V150T96-V99 HydrophobicContact CG2-CB 4.36Å; T96-V99 HydrophobicContact CG2-CG2 3.74Å; T96-V99 WeakPolarHBondContact O-CB 3.32Å; T96-V99 WeakPolarHBondContact O-CG2 3.26Å; T96-V99 PolarHBondContact O-N 2.95Å; V99-F101 PolarHBondContact O-N 2.83Å; V99-K102 HydrophobicContact CG1-CD 3.84Å; V99-K102 HydrophobicContact CG1-CG 3.57Å; V99-V150 HydrophobicContact CG1-CG1 3.93Å
100G51.2Low75Confident60 Ų6053.1 Ų53.162%0.61929%0.288SS*.  trans-50.8128.1149.200000107.5T98 K102T98-G100 PolarHBondContact O-N 2.85Å; G100-K102 PolarHBondContact O-N 3.15Å; G100-K102 VanDerWaalsContact O-N 3.11Å
101F59.5Low75.5Confident62 Ų6254.1 Ų54.127%0.27229%0.293SS..  trans10.193.6156.1-166-99.2000114.2V99 I103 M142 R144 P151 S153V99-F101 PolarHBondContact O-N 2.83Å; F101-I103 HydrophobicContact CD1-CD1 3.61Å; F101-I103 HydrophobicContact CD1-CG1 3.42Å; F101-I103 VanDerWaalsContact CD1-CG1 3.42Å; F101-I103 HydrophobicContact CE1-CD1 3.63Å; F101-I103 HydrophobicContact CE1-CG1 3.55Å; F101-M142 HydrophobicContact CE1-SD 4.44Å; F101-M142 HydrophobicContact CZ-SD 4.37Å; F101-R144 HydrophobicContact CZ-CG 4.36Å; F101-P151 HydrophobicContact CD2-CB 4.45Å; F101-S153 WeakPolarHBondContact CE1-OG 3.4Å; F101-S153 WeakPolarHBondContact CE2-OG 3.39Å; F101-S153 WeakPolarHBondContact CZ-OG 3.46Å
102K78.9Confident75.9Confident10 Ų1056.7 Ų56.74%0.04331%0.305CS..EExtended strand (participates in β ladder)trans-73.9134.3179-73.8-173.4176.8-162.80109.4V99 G100 P151 F152 S153 F268 V272 E275V99-K102 HydrophobicContact CG1-CD 3.84Å; V99-K102 HydrophobicContact CG1-CG 3.57Å; G100-K102 PolarHBondContact O-N 3.15Å; G100-K102 VanDerWaalsContact O-N 3.11Å; K102-P151 PolarHBondContact N-O 3.02Å; K102-F152 HydrophobicContact CB-CD2 3.65Å; K102-F152 HydrophobicContact CB-CE2 4.22Å; K102-F152 CarbonylContact O-C 3.58Å; K102-F152 WeakPolarHBondContact O-CA 3.45Å; K102-F152 VanDerWaalsContact O-CD2 3.25Å; K102-F152 WeakPolarHBondContact O-CD2 3.15Å; K102-S153 PolarHBondContact O-N 2.8Å; K102-F268 HydrophobicContact CD-CD2 4.46Å; K102-F268 HydrophobicContact CD-CE2 4.22Å; K102-V272 HydrophobicContact CD-CG2 4.37Å; K102-E275 VanDerWaalsContact CE-CD 3.48Å; K102-E275 WeakPolarHBondContact CE-OE1 3.37Å; K102-E275 WeakPolarHBondContact CE-OE2 3.42Å; K102-E275 IonicContact NZ-OE1 3.16Å; K102-E275 PolarHBondContact NZ-OE1 2.81Å; K102-E275 IonicContact NZ-OE2 3.71Å; K102-E275 PolarHBondContact NZ-OE2 3.27Å
103I90.4Very high76.5Confident63 Ų6351.9 Ų51.932%0.32329%0.293SS..EExtended strand (participates in β ladder)trans-123.7135.3179.6-53.9178.9000109.2F101 S153 Q155F101-I103 HydrophobicContact CD1-CD1 3.61Å; F101-I103 HydrophobicContact CD1-CG1 3.42Å; F101-I103 VanDerWaalsContact CD1-CG1 3.42Å; F101-I103 HydrophobicContact CE1-CD1 3.63Å; F101-I103 HydrophobicContact CE1-CG1 3.55Å; I103-S153 CarbonylContact C-O 3.53Å; I103-S153 VanDerWaalsContact CA-O 3.3Å; I103-S153 WeakPolarHBondContact CA-O 3.34Å; I103-Q155 HydrophobicContact CG2-CB 4.45Å; I103-Q155 HydrophobicContact CG2-CG 3.56Å
104S94.5Very high77.7Confident0 Ų047.9 Ų47.90%027%0.274CS..EExtended strand (participates in β ladder)trans-115.8131.4165.6-720000112.2F152 S153 L154 Q155 N271S104-F152 WeakPolarHBondContact OG-CZ 3.2Å; S104-S153 PolarHBondContact N-O 3.14Å; S104-L154 WeakPolarHBondContact O-CA 3.26Å; S104-Q155 PolarHBondContact O-N 3.46Å; S104-N271 PolarHBondContact OG-ND2 3.32Å
105K95.1Very high79.2Confident36 Ų3641.1 Ų41.116%0.15725%0.247CC..EExtended strand (participates in β ladder)trans-82.2124.1171.4-176.1170.2178.5-176.60110.5Y172 R174 Q177 V178K105-Y172 WeakPolarHBondContact CE-O 3.23Å; K105-Y172 PolarHBondContact NZ-O 2.95Å; K105-R174 PolarHBondContact NZ-O 3.36Å; K105-Q177 PolarHBondContact O-N 2.96Å; K105-V178 PolarHBondContact O-N 3.39Å; K105-V178 VanDerWaalsContact O-N 3.14Å
106V96.9Very high81.1Confident0 Ų032.5 Ų32.50%022%0.215CC..EExtended strand (participates in β ladder)trans-120123.9178.4-173.50000108.2L154 Q155 L156 W157 V178 I180 V263V106-L154 HydrophobicContact CG2-CB 4.29Å; V106-L154 HydrophobicContact CG2-CD1 4.44Å; V106-L154 HydrophobicContact CG2-CD2 3.88Å; V106-L154 HydrophobicContact CG2-CG 4.44Å; V106-Q155 PolarHBondContact N-O 2.75Å; V106-Q155 VanDerWaalsContact O-O 3.04Å; V106-L156 HydrophobicContact CB-CD2 3.85Å; V106-L156 HydrophobicContact CG1-CD2 4.1Å; V106-L156 HydrophobicContact CG2-CD2 4.06Å; V106-W157 PolarHBondContact O-N 2.96Å; V106-V178 WeakPolarHBondContact CA-O 3.33Å; V106-V178 HydrophobicContact CB-CB 4.31Å; V106-V178 HydrophobicContact CG1-CB 4.05Å; V106-V178 HydrophobicContact CG1-CG1 4.07Å; V106-V178 HydrophobicContact CG2-CB 4.02Å; V106-V178 HydrophobicContact CG2-CG2 4.28Å; V106-I180 HydrophobicContact CG1-CD1 3.49Å; V106-I180 VanDerWaalsContact CG1-CD1 3.49Å; V106-I180 HydrophobicContact CG1-CG1 3.89Å; V106-V263 HydrophobicContact CG2-CG1 4.49Å
107I95.9Very high83.1Confident0 Ų032.7 Ų32.70%022%0.216CC..EExtended strand (participates in β ladder)trans-105.9139.5171.466.1173.6000109.7V109 W157 Y173 A176 V178 V179 I180 A201I107-V109 HydrophobicContact CD1-CG1 4.26Å; I107-V109 HydrophobicContact CG1-CG1 4.46Å; I107-W157 HydrophobicContact CG2-CB 4.09Å; I107-W157 HydrophobicContact CG2-CG 4.48Å; I107-Y173 HydrophobicContact CD1-CD1 3.74Å; I107-Y173 HydrophobicContact CD1-CE1 4.37Å; I107-Y173 HydrophobicContact CD1-CG 3.82Å; I107-A176 HydrophobicContact CD1-CB 4.04Å; I107-A176 HydrophobicContact CG1-CB 3.97Å; I107-A176 HydrophobicContact CG2-CB 3.95Å; I107-V178 PolarHBondContact N-O 3.28Å; I107-V179 HydrophobicContact CD1-CG1 4.46Å; I107-V179 HydrophobicContact CD1-CG2 3.88Å; I107-V179 HydrophobicContact CG1-CB 4.26Å; I107-V179 HydrophobicContact CG1-CG1 4.21Å; I107-V179 HydrophobicContact CG1-CG2 3.76Å; I107-I180 PolarHBondContact O-N 3.43Å; I107-A201 HydrophobicContact CD1-CB 4.12Å
108V96.3Very high85.5Confident0 Ų031.4 Ų31.40%020%0.196CC..EExtended strand (participates in β ladder)trans-112.5117175.9-169.40000108.7K116 I120 W157 T159 I180V108-K116 HydrophobicContact CG1-CB 3.87Å; V108-K116 HydrophobicContact CG1-CD 4.03Å; V108-K116 HydrophobicContact CG1-CG 3.85Å; V108-I120 HydrophobicContact CB-CD1 4.23Å; V108-I120 HydrophobicContact CG2-CD1 3.78Å; V108-I120 HydrophobicContact CG2-CG1 4.23Å; V108-W157 PolarHBondContact N-O 3.18Å; V108-T159 WeakPolarHBondContact O-CB 3.34Å; V108-T159 WeakPolarHBondContact O-CG2 3.31Å; V108-T159 PolarHBondContact O-N 3.31Å; V108-T159 PolarHBondContact O-OG1 3.28Å; V108-I180 WeakPolarHBondContact CA-O 3.25Å; V108-I180 HydrophobicContact CG1-CB 4.29Å; V108-I180 HydrophobicContact CG1-CG2 4.15Å; V108-I180 HydrophobicContact CG2-CB 4.2Å; V108-I180 HydrophobicContact CG2-CD1 4.2Å
109V95.1Very high87.9Confident0 Ų024.6 Ų24.60%015%0.154CC..EExtended strand (participates in β ladder)trans-123.4161.2-175.3-60.90000110.9I107 K116 T159 Y173 V179 I180 I181 A182 W197I107-V109 HydrophobicContact CD1-CG1 4.26Å; I107-V109 HydrophobicContact CG1-CG1 4.46Å; V109-K116 VanDerWaalsContact C-CD 3.5Å; V109-T159 HydrophobicContact CG1-CG2 4.45Å; V109-Y173 HydrophobicContact CG1-CE1 3.93Å; V109-Y173 HydrophobicContact CG1-CE2 4.48Å; V109-V179 HydrophobicContact CG2-CG1 3.99Å; V109-I180 PolarHBondContact N-O 3.24Å; V109-I181 HydrophobicContact CG2-CB 4.43Å; V109-I181 HydrophobicContact CG2-CG1 3.99Å; V109-I181 HydrophobicContact CG2-CG2 4.49Å; V109-A182 PolarHBondContact O-N 3.43Å; V109-W197 HydrophobicContact CB-CB 4.41Å; V109-W197 HydrophobicContact CB-CE3 4.11Å; V109-W197 HydrophobicContact CG2-CB 4.11Å
110G94.9Very high90.2Very high0 Ų023 Ų230%015%0.145CC..  trans142.2174.5-176.800000112.3K116 G161 A182 W197G110-K116 PolarHBondContact O-NZ 3.39Å; G110-G161 VanDerWaalsContact O-CA 3.27Å; G110-G161 WeakPolarHBondContact O-CA 3.43Å; G110-A182 WeakPolarHBondContact CA-O 3.29Å; G110-W197 VanDerWaalsContact C-CE2 3.43Å; G110-W197 VanDerWaalsContact O-CZ2 3.3Å; G110-W197 WeakPolarHBondContact O-CZ2 3.44Å
111D93.6Very high92.3Very high31 Ų3122.1 Ų22.117%0.16613%0.126CC..  trans-62.8166.8-173.5-80.70.7000114.2V114 K116 H193 W197D111-V114 HydrophobicContact CB-CG1 3.63Å; D111-V114 VanDerWaalsContact O-CG2 3.3Å; D111-V114 WeakPolarHBondContact O-CG2 3.35Å; D111-K116 PolarHBondContact O-NZ 3.49Å; D111-H193 IonicContact OD1-ND1 3.92Å; D111-H193 IonicContact OD2-CE1 2.76Å; D111-H193 IonicContact OD2-CG 3.8Å; D111-H193 IonicContact OD2-ND1 3.55Å; D111-H193 PolarHBondContact OD2-ND1 3.35Å; D111-W197 PolarHBondContact OD1-NE1 2.99Å
112L91.8Very high94.1Very high68 Ų6821.2 Ų21.236%0.35612%0.121SC..THydrogen-bonded Turntrans-59.8140.3172-167.865.8000110.3V114 Y132 G161 Q162L112-V114 PolarHBondContact O-N 3.01Å; L112-Y132 WeakPolarHBondContact CD1-OH 3.23Å; L112-Y132 WeakPolarHBondContact CG-OH 3.39Å; L112-G161 PolarHBondContact N-O 3.33Å; L112-G161 VanDerWaalsContact N-O 3.14Å; L112-Q162 HydrophobicContact CD1-CB 4.15Å
113A92.2Very high94.9Very high48 Ų4821 Ų2140%0.39712%0.12SC..THydrogen-bonded Turntrans60.710.3173.600000116.8G115 Y132 K218A113-G115 VanDerWaalsContact C-N 3.3Å; A113-G115 PolarHBondContact O-N 3.48Å; A113-Y132 HydrophobicContact CB-CD2 4.22Å; A113-Y132 HydrophobicContact CB-CE2 3.7Å; A113-K218 VanDerWaalsContact O-CE 3.24Å; A113-K218 WeakPolarHBondContact O-CE 3.35Å; A113-K218 PolarHBondContact O-NZ 3.45Å
114V95.1Very high95.1Very high2 Ų218.6 Ų18.61%0.01211%0.108CC..SBendtrans-64.8-34.1171.6-59.60000111.8D111 L112 K116 A182 D184 T217 K218D111-V114 HydrophobicContact CB-CG1 3.63Å; D111-V114 VanDerWaalsContact O-CG2 3.3Å; D111-V114 WeakPolarHBondContact O-CG2 3.35Å; L112-V114 PolarHBondContact O-N 3.01Å; V114-K116 HydrophobicContact CG2-CG 3.83Å; V114-A182 HydrophobicContact CG2-CB 4.05Å; V114-D184 HydrophobicContact CB-CB 4.44Å; V114-D184 HydrophobicContact CG1-CB 4.37Å; V114-T217 PolarHBondContact O-OG1 2.82Å; V114-K218 WeakPolarHBondContact O-CE 3.42Å
115G94.5Very high95Very high15 Ų1523.5 Ų23.516%0.15513%0.13CC..SBendtrans126.615.3174.100000116.1A113 T117 C118 L119A113-G115 VanDerWaalsContact C-N 3.3Å; A113-G115 PolarHBondContact O-N 3.48Å; G115-T117 PolarHBondContact O-N 3.42Å; G115-C118 WeakPolarHBondContact O-CB 3.03Å; G115-C118 PolarHBondContact O-N 3.08Å; G115-C118 VanDerWaalsContact O-N 3.1Å; G115-L119 WeakPolarHBondContact O-CB 3.37Å; G115-L119 PolarHBondContact O-N 3.44Å
116K95.4Very high94.8Very high10 Ų1027.6 Ų27.64%0.04315%0.153CC..Hα-helixtrans-48.4-54.5178.7-57.7-173.4-62.8-76.30113.7V108 V109 G110 D111 V114 C118 L119 I120 D158 T159 G161 A182V108-K116 HydrophobicContact CG1-CB 3.87Å; V108-K116 HydrophobicContact CG1-CD 4.03Å; V108-K116 HydrophobicContact CG1-CG 3.85Å; V109-K116 VanDerWaalsContact C-CD 3.5Å; G110-K116 PolarHBondContact O-NZ 3.39Å; D111-K116 PolarHBondContact O-NZ 3.49Å; V114-K116 HydrophobicContact CG2-CG 3.83Å; K116-C118 VanDerWaalsContact C-N 3.33Å; K116-C118 PolarHBondContact O-N 2.7Å; K116-L119 WeakPolarHBondContact O-CB 3.45Å; K116-L119 PolarHBondContact O-N 3.38Å; K116-I120 PolarHBondContact O-N 3.17Å; K116-D158 WeakPolarHBondContact CB-OD1 3.27Å; K116-T159 WeakPolarHBondContact CE-O 3.21Å; K116-G161 VanDerWaalsContact NZ-CA 3.3Å; K116-A182 HydrophobicContact CG-CB 3.9Å
117T94.8Very high94.6Very high37 Ų3729.8 Ų29.823%0.22717%0.171CC..Hα-helixtrans-61.9-39.5178.4-450000112.4G115 L119 N121 T135 D158G115-T117 PolarHBondContact O-N 3.42Å; T117-L119 VanDerWaalsContact C-N 3.34Å; T117-N121 VanDerWaalsContact O-CB 3.27Å; T117-N121 WeakPolarHBondContact O-CB 3.3Å; T117-N121 VanDerWaalsContact O-CG 3.3Å; T117-N121 PolarHBondContact O-N 3.46Å; T117-N121 PolarHBondContact O-ND2 2.86Å; T117-T135 PolarHBondContact OG1-OG1 2.97Å; T117-D158 WeakPolarHBondContact CA-OD2 3.19Å; T117-D158 VanDerWaalsContact CB-OD2 3.23Å; T117-D158 WeakPolarHBondContact CB-OD2 3.07Å; T117-D158 WeakPolarHBondContact CG2-OD2 3.33Å; T117-D158 PolarHBondContact N-OD1 3.38Å; T117-D158 PolarHBondContact OG1-OD1 2.76Å; T117-D158 PolarHBondContact OG1-OD2 3.41Å
118C95.6Very high94.4Very high37 Ų3733.1 Ų33.125%0.2519%0.186CC..Hα-helixtrans-67.6-37177.4-66.70000111.4G115 K116 R122 F128G115-C118 WeakPolarHBondContact O-CB 3.03Å; G115-C118 PolarHBondContact O-N 3.08Å; G115-C118 VanDerWaalsContact O-N 3.1Å; K116-C118 VanDerWaalsContact C-N 3.33Å; K116-C118 PolarHBondContact O-N 2.7Å; C118-R122 WeakPolarHBondContact O-CB 3.42Å; C118-R122 PolarHBondContact O-N 3.14Å; C118-F128 HydrophobicContact CB-CD2 4.21Å; C118-F128 HydrophobicContact CB-CE2 4.12Å
119L97.3Very high94Very high0 Ų036.9 Ų36.90%021%0.206CC..Hα-helixtrans-63.5-49176.9179.960.5000111.4G115 K116 T117 R122 F123 V215 V248 S250 V256 F259 F260G115-L119 WeakPolarHBondContact O-CB 3.37Å; G115-L119 PolarHBondContact O-N 3.44Å; K116-L119 WeakPolarHBondContact O-CB 3.45Å; K116-L119 PolarHBondContact O-N 3.38Å; T117-L119 VanDerWaalsContact C-N 3.34Å; L119-R122 PolarHBondContact O-N 3.16Å; L119-F123 PolarHBondContact O-N 3.39Å; L119-F123 VanDerWaalsContact O-N 3.14Å; L119-V215 HydrophobicContact CD2-CG1 4.04Å; L119-V248 HydrophobicContact CD1-CG2 3.85Å; L119-S250 VanDerWaalsContact CA-OG 3.29Å; L119-S250 WeakPolarHBondContact CA-OG 3.3Å; L119-S250 PolarHBondContact N-OG 3.26Å; L119-V256 HydrophobicContact CD1-CB 4.45Å; L119-V256 HydrophobicContact CD1-CG1 3.92Å; L119-V256 HydrophobicContact CD1-CG2 3.94Å; L119-F259 HydrophobicContact CD2-CE1 4.33Å; L119-F260 HydrophobicContact CD1-CE2 3.97Å; L119-F260 HydrophobicContact CD2-CZ 4.5Å; L119-F260 HydrophobicContact CG-CE2 3.83Å; L119-F260 HydrophobicContact CG-CZ 4.08Å
120I96.3Very high93.4Very high4 Ų445 Ų452%0.02124%0.241CC..Hα-helixtrans-64.2-47.4177.2-67.2166.6000110.9V108 K116 R122 F123 C124 E141 L156 D158 F260V108-I120 HydrophobicContact CB-CD1 4.23Å; V108-I120 HydrophobicContact CG2-CD1 3.78Å; V108-I120 HydrophobicContact CG2-CG1 4.23Å; K116-I120 PolarHBondContact O-N 3.17Å; I120-R122 PolarHBondContact O-N 3.41Å; I120-F123 PolarHBondContact O-N 3.32Å; I120-F123 VanDerWaalsContact O-N 3.16Å; I120-C124 PolarHBondContact O-N 3.31Å; I120-E141 HydrophobicContact CG2-CB 4.1Å; I120-E141 HydrophobicContact CG2-CG 3.97Å; I120-L156 HydrophobicContact CG2-CB 4.37Å; I120-L156 HydrophobicContact CG2-CD1 4.12Å; I120-D158 HydrophobicContact CD1-CB 3.52Å; I120-F260 HydrophobicContact CG1-CZ 4.49Å
121N94.8Very high92.9Very high41 Ų4150.5 Ų50.522%0.21927%0.271CS..Hα-helixtrans-64.1-39.2180-77.2-31.2000112.5T117 F123 K125 D126 A127T117-N121 VanDerWaalsContact O-CB 3.27Å; T117-N121 WeakPolarHBondContact O-CB 3.3Å; T117-N121 VanDerWaalsContact O-CG 3.3Å; T117-N121 PolarHBondContact O-N 3.46Å; T117-N121 PolarHBondContact O-ND2 2.86Å; N121-F123 VanDerWaalsContact C-N 3.27Å; N121-F123 PolarHBondContact O-N 3.4Å; N121-K125 WeakPolarHBondContact O-CA 3.41Å; N121-K125 WeakPolarHBondContact O-CB 3.41Å; N121-K125 PolarHBondContact O-N 2.97Å; N121-K125 PolarHBondContact OD1-NZ 2.9Å; N121-D126 PolarHBondContact O-N 3.37Å; N121-A127 CarbonylContact C-O 3.45Å; N121-A127 PolarHBondContact O-N 2.92Å
122R96.3Very high92.2Very high43 Ų4355.2 Ų55.216%0.16229%0.287CS..Hα-helixtrans-60.5-41174.7174.255.470.3-172.59.3110.6C118 L119 I120 D126 A127 S250 L251 V256C118-R122 WeakPolarHBondContact O-CB 3.42Å; C118-R122 PolarHBondContact O-N 3.14Å; L119-R122 PolarHBondContact O-N 3.16Å; I120-R122 PolarHBondContact O-N 3.41Å; R122-D126 IonicContact CZ-OD1 2.78Å; R122-D126 PolarHBondContact NH1-O 3.34Å; R122-D126 VanDerWaalsContact NH1-O 3.17Å; R122-D126 IonicContact NH1-OD1 2.79Å; R122-D126 PolarHBondContact NH1-OD1 3.46Å; R122-D126 VanDerWaalsContact O-CA 3.23Å; R122-D126 WeakPolarHBondContact O-CA 3.28Å; R122-D126 PolarHBondContact O-N 2.96Å; R122-A127 WeakPolarHBondContact CA-O 3.44Å; R122-A127 PolarHBondContact N-O 2.91Å; R122-S250 PolarHBondContact NE-O 2.97Å; R122-S250 PolarHBondContact NH2-O 2.95Å; R122-L251 PolarHBondContact NH2-O 3.2Å; R122-V256 HydrophobicContact CB-CG1 4.26Å; R122-V256 HydrophobicContact CG-CB 4.14Å; R122-V256 HydrophobicContact CG-CG1 3.83Å; R122-V256 HydrophobicContact CG-CG2 4.05Å
123F96.3Very high91.6Very high6 Ų658.7 Ų58.73%0.02630%0.299CS..Hα-helixtrans-72.8-50.7-179.8178.6-116.4000113.7R62 L119 I120 N121 E143 F145 L156 V256 F260 F261R62-F123 PolarHBondContact NH2-O 3.36Å; L119-F123 PolarHBondContact O-N 3.39Å; L119-F123 VanDerWaalsContact O-N 3.14Å; I120-F123 PolarHBondContact O-N 3.32Å; I120-F123 VanDerWaalsContact O-N 3.16Å; N121-F123 VanDerWaalsContact C-N 3.27Å; N121-F123 PolarHBondContact O-N 3.4Å; F123-E143 HydrophobicContact CE1-CB 3.97Å; F123-E143 HydrophobicContact CE1-CG 3.55Å; F123-E143 HydrophobicContact CZ-CG 3.89Å; F123-F145 HydrophobicContact CE1-CE2 4.44Å; F123-F145 AromaticContact CE1-CZ 3.84Å; F123-F145 HydrophobicContact CE1-CZ 3.84Å; F123-F145 AromaticContact CZ-CE1 3.95Å; F123-F145 HydrophobicContact CZ-CE1 3.95Å; F123-F145 HydrophobicContact CZ-CE2 4.36Å; F123-F145 AromaticContact CZ-CZ 3.41Å; F123-F145 HydrophobicContact CZ-CZ 3.41Å; F123-F145 VanDerWaalsContact CZ-CZ 3.41Å; F123-L156 HydrophobicContact CD1-CD1 4.15Å; F123-V256 HydrophobicContact CB-CG1 3.89Å; F123-F260 HydrophobicContact CB-CD2 3.42Å; F123-F260 VanDerWaalsContact CB-CD2 3.42Å; F123-F260 HydrophobicContact CB-CE2 3.55Å; F123-F260 HydrophobicContact CB-CG 4.2Å; F123-F260 HydrophobicContact CB-CZ 4.43Å; F123-F260 HydrophobicContact CD1-CB 3.79Å; F123-F260 AromaticContact CD1-CD1 3.94Å; F123-F260 HydrophobicContact CD1-CD1 3.94Å; F123-F260 AromaticContact CD1-CD2 3.67Å; F123-F260 HydrophobicContact CD1-CD2 3.67Å; F123-F260 HydrophobicContact CD1-CE1 4.43Å; F123-F260 HydrophobicContact CD1-CE2 4.17Å; F123-F260 AromaticContact CD1-CG 3.52Å; F123-F260 HydrophobicContact CD1-CG 3.52Å; F123-F260 HydrophobicContact CD2-CB 3.63Å; F123-F260 AromaticContact CD2-CD2 3.71Å; F123-F260 HydrophobicContact CD2-CD2 3.71Å; F123-F260 AromaticContact CD2-CG 3.92Å; F123-F260 HydrophobicContact CD2-CG 3.92Å; F123-F260 HydrophobicContact CE1-CB 3.63Å; F123-F260 HydrophobicContact CE1-CD1 4.19Å; F123-F260 HydrophobicContact CE1-CD2 4.39Å; F123-F260 AromaticContact CE1-CG 3.84Å; F123-F260 HydrophobicContact CE1-CG 3.84Å; F123-F260 HydrophobicContact CE2-CB 3.51Å; F123-F260 HydrophobicContact CE2-CD2 4.47Å; F123-F260 HydrophobicContact CE2-CG 4.25Å; F123-F260 HydrophobicContact CG-CB 3.8Å; F123-F260 HydrophobicContact CG-CD1 4.4Å; F123-F260 AromaticContact CG-CD2 3.28Å; F123-F260 HydrophobicContact CG-CD2 3.28Å; F123-F260 AromaticContact CG-CE2 3.88Å; F123-F260 HydrophobicContact CG-CE2 3.88Å; F123-F260 AromaticContact CG-CG 3.58Å; F123-F260 HydrophobicContact CG-CG 3.58Å; F123-F260 HydrophobicContact CZ-CB 3.54Å; F123-F260 HydrophobicContact CZ-CG 4.23Å; F123-F261 HydrophobicContact CE2-CD2 4.33Å; F123-F261 HydrophobicContact CE2-CE2 4.37Å
124C93.8Very high91Very high13 Ų1358.8 Ų58.89%0.08830%0.3CS..Hα-helixtrans-78.9-36-173.2-70.20000113.5I120 E143 L156I120-C124 PolarHBondContact O-N 3.31Å; C124-E143 PolarHBondContact SG-OE2 3.41Å; C124-L156 VanDerWaalsContact SG-CD1 3.58Å
125K92.5Very high90.2Very high103 Ų10359.9 Ų59.945%0.44831%0.307SS..Hα-helixtrans-115-4.6-169.8-59.6170.2-173.31510113.3N121 A127 E141N121-K125 WeakPolarHBondContact O-CA 3.41Å; N121-K125 WeakPolarHBondContact O-CB 3.41Å; N121-K125 PolarHBondContact O-N 2.97Å; N121-K125 PolarHBondContact OD1-NZ 2.9Å; K125-A127 HydrophobicContact CB-CB 3.96Å; K125-A127 PolarHBondContact O-N 3.49Å; K125-E141 WeakPolarHBondContact CE-OE1 3.42Å; K125-E141 IonicContact NZ-OE1 2.7Å; K125-E141 PolarHBondContact NZ-OE1 3.21Å
126D92.6Very high89.3Confident122 Ų12266 Ų6665%0.65233%0.334SS*.SBendtrans48.138.6-168.8-164.319.9000112.7N121 R122N121-D126 PolarHBondContact O-N 3.37Å; R122-D126 IonicContact CZ-OD1 2.78Å; R122-D126 PolarHBondContact NH1-O 3.34Å; R122-D126 VanDerWaalsContact NH1-O 3.17Å; R122-D126 IonicContact NH1-OD1 2.79Å; R122-D126 PolarHBondContact NH1-OD1 3.46Å; R122-D126 VanDerWaalsContact O-CA 3.23Å; R122-D126 WeakPolarHBondContact O-CA 3.28Å; R122-D126 PolarHBondContact O-N 2.96Å
127A91.6Very high88.4Confident45 Ų4566 Ų6637%0.37234%0.338SS..  trans-124.2144.1-173.400000111.2N121 R122 K125N121-A127 CarbonylContact C-O 3.45Å; N121-A127 PolarHBondContact O-N 2.92Å; R122-A127 WeakPolarHBondContact CA-O 3.44Å; R122-A127 PolarHBondContact N-O 2.91Å; K125-A127 HydrophobicContact CB-CB 3.96Å; K125-A127 PolarHBondContact O-N 3.49Å
128F91.5Very high87.8Confident70 Ų7066 Ų6631%0.30734%0.337SS..  trans-136.6122.8174178.3-96000109.8C118 K130 S250 L251C118-F128 HydrophobicContact CB-CD2 4.21Å; C118-F128 HydrophobicContact CB-CE2 4.12Å; F128-K130 HydrophobicContact CD1-CG 4.15Å; F128-K130 HydrophobicContact CE1-CB 4.48Å; F128-K130 HydrophobicContact CE1-CG 3.52Å; F128-K130 HydrophobicContact CZ-CG 4.48Å; F128-S250 WeakPolarHBondContact CD2-O 3.2Å; F128-L251 HydrophobicContact CD1-CD1 3.64Å; F128-L251 HydrophobicContact CE1-CB 4.27Å; F128-L251 HydrophobicContact CE1-CD1 3.38Å; F128-L251 HydrophobicContact CE1-CG 4.39Å; F128-L251 HydrophobicContact CE2-CB 4.28Å; F128-L251 HydrophobicContact CG-CD1 4.44Å; F128-L251 HydrophobicContact CZ-CB 4.06Å; F128-L251 HydrophobicContact CZ-CD1 4.03Å
129D87.2Confident87.5Confident80 Ų8068 Ų6843%0.42835%0.346SS..  trans-105.8122.4174.5-170.3-6.6000108.8N131 K133D129-N131 VanDerWaalsContact C-N 3.27Å; D129-N131 WeakPolarHBondContact OD1-CB 3.33Å; D129-N131 PolarHBondContact OD1-N 3.3Å; D129-K133 IonicContact OD2-NZ 2.68Å
130K83.3Confident87Confident169 Ų16971.6 Ų71.674%0.73536%0.361SS*.  trans-72.2-23.5175.8-76.1179.9-179.7-174.70112.1F128 Y132F128-K130 HydrophobicContact CD1-CG 4.15Å; F128-K130 HydrophobicContact CE1-CB 4.48Å; F128-K130 HydrophobicContact CE1-CG 3.52Å; F128-K130 HydrophobicContact CZ-CG 4.48Å; K130-Y132 PolarHBondContact O-N 3.15Å; K130-Y132 VanDerWaalsContact O-N 3.11Å
131N84.6Confident86.9Confident116 Ų11673.8 Ų73.862%0.6237%0.371SS*.SBendtrans-77103.1-178.4-64.3-42.3000109.3D129 K133D129-N131 VanDerWaalsContact C-N 3.27Å; D129-N131 WeakPolarHBondContact OD1-CB 3.33Å; D129-N131 PolarHBondContact OD1-N 3.3Å; N131-K133 PolarHBondContact O-N 2.85Å
132Y78Confident86.8Confident131 Ų13175 Ų7551%0.51438%0.376SS..  trans-58.1124176.7174.3-102.1000111L112 A113 K130 A134L112-Y132 WeakPolarHBondContact CD1-OH 3.23Å; L112-Y132 WeakPolarHBondContact CG-OH 3.39Å; A113-Y132 HydrophobicContact CB-CD2 4.22Å; A113-Y132 HydrophobicContact CB-CE2 3.7Å; K130-Y132 PolarHBondContact O-N 3.15Å; K130-Y132 VanDerWaalsContact O-N 3.11Å; Y132-A134 HydrophobicContact CE1-CB 4.15Å; Y132-A134 WeakPolarHBondContact OH-CB 3.44Å
133K79.8Confident86.7Confident141 Ų14173.6 Ų73.661%0.61337%0.372SS*.  trans-126.9120.6170.1-67.7174-174.9161.40107.4D129 N131 T135D129-K133 IonicContact OD2-NZ 2.68Å; N131-K133 PolarHBondContact O-N 2.85Å; K133-T135 PolarHBondContact O-N 3.44Å
134A80.1Confident86.5Confident49 Ų4976.3 Ų76.341%0.40538%0.382SS..  trans-63.9129176.800000110Y132 I136Y132-A134 HydrophobicContact CE1-CB 4.15Å; Y132-A134 WeakPolarHBondContact OH-CB 3.44Å; A134-I136 PolarHBondContact O-N 3.5Å
135T77.9Confident86.5Confident26 Ų2675.7 Ų75.716%0.1638%0.378CS..  trans-65.6120.7171.5-50.60000108.8T117 K133 D158 A160T117-T135 PolarHBondContact OG1-OG1 2.97Å; K133-T135 PolarHBondContact O-N 3.44Å; T135-D158 PolarHBondContact OG1-OD2 2.97Å; T135-A160 VanDerWaalsContact O-CB 3.23Å; T135-A160 WeakPolarHBondContact O-CB 3.15Å
136I76.1Confident86.4Confident143 Ų14374.1 Ų74.173%0.73337%0.372SS*.  trans-96.1113.2174.8-60173.2000106.8A134A134-I136 PolarHBondContact O-N 3.5Å
137G75.9Confident86.3Confident11 Ų1168.3 Ų68.311%0.11334%0.341CS..SBendtrans78.2-124-177.800000112.7A160G137-A160 VanDerWaalsContact O-CB 3.25Å; G137-A160 WeakPolarHBondContact O-CB 3.35Å; G137-A160 PolarHBondContact O-N 2.94Å
138V83.3Confident86.2Confident36 Ų3668.1 Ų68.122%0.21833%0.334CS..EExtended strand (participates in β ladder)trans-138.2134-174.7-178.10000109.3W157 D158 A169 Y172V138-W157 HydrophobicContact CG1-CB 4.48Å; V138-W157 HydrophobicContact CG1-CE3 3.68Å; V138-W157 HydrophobicContact CG1-CZ3 4.39Å; V138-D158 CarbonylContact C-O 3.54Å; V138-D158 VanDerWaalsContact CA-O 3.24Å; V138-D158 WeakPolarHBondContact CA-O 3.48Å; V138-D158 WeakPolarHBondContact CG1-O 3.17Å; V138-A169 HydrophobicContact CG2-CB 4.34Å; V138-Y172 HydrophobicContact CB-CD2 4.16Å; V138-Y172 HydrophobicContact CB-CE2 4.34Å; V138-Y172 HydrophobicContact CB-CG 4.43Å; V138-Y172 HydrophobicContact CG1-CG 4.33Å; V138-Y172 HydrophobicContact CG2-CD2 3.51Å; V138-Y172 HydrophobicContact CG2-CE2 3.91Å; V138-Y172 HydrophobicContact CG2-CG 4.07Å
139D88.1Confident85.9Confident79 Ų7967.2 Ų67.242%0.42234%0.344SS..EExtended strand (participates in β ladder)trans-109.5156.9172.7-157.22.6000110.3D158D139-D158 HydrophobicContact CB-CB 4.15Å; D139-D158 PolarHBondContact N-O 2.91Å; D139-D158 PolarHBondContact O-N 2.95Å
140F87.9Confident85.9Confident76 Ų7664 Ų6433%0.33333%0.327SS..EExtended strand (participates in β ladder)trans-133.5128.4-172.3171.6-93.6000111.2M142 Q155 L156 W157F140-M142 HydrophobicContact CE1-CB 4.08Å; F140-M142 HydrophobicContact CZ-CB 4.04Å; F140-M142 HydrophobicContact CZ-CE 3.93Å; F140-Q155 HydrophobicContact CE2-CB 3.7Å; F140-Q155 HydrophobicContact CE2-CG 3.67Å; F140-Q155 HydrophobicContact CZ-CB 4.34Å; F140-Q155 HydrophobicContact CZ-CG 3.88Å; F140-L156 WeakPolarHBondContact CA-O 3.49Å; F140-W157 AromaticContact CD2-CD2 3.97Å; F140-W157 HydrophobicContact CD2-CD2 3.97Å; F140-W157 AromaticContact CD2-CE2 3.67Å; F140-W157 HydrophobicContact CD2-CE3 4.35Å; F140-W157 HydrophobicContact CD2-CG 4.46Å; F140-W157 HydrophobicContact CD2-CH2 4.28Å; F140-W157 AromaticContact CD2-CZ2 3.86Å; F140-W157 HydrophobicContact CD2-CZ2 3.86Å; F140-W157 AromaticContact CD2-NE1 3.93Å; F140-W157 AromaticContact CE2-CE2 3.99Å; F140-W157 HydrophobicContact CE2-CZ2 4.07Å; F140-W157 AromaticContact CE2-NE1 3.96Å
141E93.5Very high86.2Confident49 Ų4958.9 Ų58.923%0.22931%0.311CS..EExtended strand (participates in β ladder)trans-127.8142.9171.3-69.2-66.1171.700110.2I120 K125 L156I120-E141 HydrophobicContact CG2-CB 4.1Å; I120-E141 HydrophobicContact CG2-CG 3.97Å; K125-E141 WeakPolarHBondContact CE-OE1 3.42Å; K125-E141 IonicContact NZ-OE1 2.7Å; K125-E141 PolarHBondContact NZ-OE1 3.21Å; E141-L156 HydrophobicContact CB-CB 4.38Å; E141-L156 PolarHBondContact N-O 3.48Å; E141-L156 PolarHBondContact O-N 3.11Å
142M93Very high86.5Confident66 Ų6653.4 Ų53.433%0.32528%0.282SS..EExtended strand (participates in β ladder)trans-116.5117.8175.4-178-179.7-7000109.7F101 F140 L154 Q155F101-M142 HydrophobicContact CE1-SD 4.44Å; F101-M142 HydrophobicContact CZ-SD 4.37Å; F140-M142 HydrophobicContact CE1-CB 4.08Å; F140-M142 HydrophobicContact CZ-CB 4.04Å; F140-M142 HydrophobicContact CZ-CE 3.93Å; M142-L154 WeakPolarHBondContact CA-O 3.49Å; M142-Q155 HydrophobicContact CE-CG 4.08Å
143E94.2Very high87.2Confident15 Ų1547.1 Ų47.17%0.0726%0.257CS..EExtended strand (participates in β ladder)trans-106.5131.3175.5-166.773.6-165.400110.7R62 F123 C124 F145 S153 L154R62-E143 IonicContact CZ-OE1 3.96Å; R62-E143 IonicContact NE-OE1 3.4Å; R62-E143 PolarHBondContact NE-OE1 3.45Å; R62-E143 IonicContact NH2-OE1 3.93Å; F123-E143 HydrophobicContact CE1-CB 3.97Å; F123-E143 HydrophobicContact CE1-CG 3.55Å; F123-E143 HydrophobicContact CZ-CG 3.89Å; C124-E143 PolarHBondContact SG-OE2 3.41Å; E143-F145 HydrophobicContact CB-CE2 3.89Å; E143-F145 HydrophobicContact CG-CD2 4.32Å; E143-F145 HydrophobicContact CG-CE2 3.66Å; E143-F145 HydrophobicContact CG-CZ 4Å; E143-S153 CarbonylContact O-C 3.55Å; E143-S153 VanDerWaalsContact O-CA 3.23Å; E143-S153 WeakPolarHBondContact O-CA 3.46Å; E143-L154 PolarHBondContact N-O 2.92Å; E143-L154 PolarHBondContact O-N 2.95Å
144R92.3Very high88Confident62 Ų6240.4 Ų40.423%0.23423%0.228CC..EExtended strand (participates in β ladder)trans-100137.8178-56.4-164176.1114.110.1111.7V58 R62 F101 S153V58-R144 HydrophobicContact CG2-CB 4.4Å; R62-R144 WeakPolarHBondContact CB-O 3.39Å; F101-R144 HydrophobicContact CZ-CG 4.36Å; R144-S153 WeakPolarHBondContact CG-OG 3.46Å
145F92.9Very high88.7Confident0 Ų040.1 Ų40.10%022%0.218CC..EExtended strand (participates in β ladder)trans-127.8162.1177.1-63.1-99000110.6R62 I64 F123 E143 V147 F152 L154 F261 A264R62-F145 HydrophobicContact CB-CD1 4.26Å; R62-F145 VanDerWaalsContact O-CA 3.32Å; R62-F145 WeakPolarHBondContact O-CA 3.37Å; I64-F145 HydrophobicContact CD1-CD1 3.86Å; I64-F145 HydrophobicContact CD1-CE1 4.29Å; I64-F145 HydrophobicContact CG1-CD1 4.38Å; F123-F145 HydrophobicContact CE1-CE2 4.44Å; F123-F145 AromaticContact CE1-CZ 3.84Å; F123-F145 HydrophobicContact CE1-CZ 3.84Å; F123-F145 AromaticContact CZ-CE1 3.95Å; F123-F145 HydrophobicContact CZ-CE1 3.95Å; F123-F145 HydrophobicContact CZ-CE2 4.36Å; F123-F145 AromaticContact CZ-CZ 3.41Å; F123-F145 HydrophobicContact CZ-CZ 3.41Å; F123-F145 VanDerWaalsContact CZ-CZ 3.41Å; E143-F145 HydrophobicContact CB-CE2 3.89Å; E143-F145 HydrophobicContact CG-CD2 4.32Å; E143-F145 HydrophobicContact CG-CE2 3.66Å; E143-F145 HydrophobicContact CG-CZ 4Å; F145-V147 HydrophobicContact CB-CG2 4.16Å; F145-F152 HydrophobicContact CB-CB 4.49Å; F145-F152 HydrophobicContact CB-CD1 4.45Å; F145-F152 PolarHBondContact N-O 3.23Å; F145-F152 PolarHBondContact O-N 3.26Å; F145-L154 HydrophobicContact CD2-CG 4.29Å; F145-L154 HydrophobicContact CE2-CB 4.25Å; F145-L154 HydrophobicContact CE2-CD1 3.74Å; F145-L154 HydrophobicContact CE2-CG 3.75Å; F145-L154 HydrophobicContact CZ-CD1 4.09Å; F145-F261 HydrophobicContact CE1-CD2 4.05Å; F145-F261 HydrophobicContact CE1-CE2 4.13Å; F145-A264 HydrophobicContact CD1-CB 3.93Å; F145-A264 HydrophobicContact CD2-CB 4.04Å; F145-A264 HydrophobicContact CE1-CB 3.74Å; F145-A264 HydrophobicContact CE2-CB 3.89Å; F145-A264 HydrophobicContact CG-CB 4.04Å; F145-A264 HydrophobicContact CZ-CB 3.69Å
146E91.3Very high89.6Confident70 Ų7038.9 Ų38.933%0.32721%0.211SC..EExtended strand (participates in β ladder)trans-119.4113.1163.2-174.4-176.712100107.4V58 R62 V63 I64 V150V58-E146 HydrophobicContact CG1-CB 4.17Å; V58-E146 HydrophobicContact CG2-CB 4.48Å; R62-E146 PolarHBondContact O-N 3.49Å; V63-E146 CarbonylContact C-O 3.54Å; V63-E146 WeakPolarHBondContact CA-O 3.33Å; V63-E146 HydrophobicContact CG2-CB 4.3Å; I64-E146 PolarHBondContact N-O 3.35Å; E146-V150 WeakPolarHBondContact CA-O 3.27Å
147V90.3Very high90.5Very high0 Ų034.4 Ų34.40%019%0.185CC..EExtended strand (participates in β ladder)trans-113.1119-177.9-171.40000108.1I64 F83 F145 G149 V150 F152 F268I64-V147 HydrophobicContact CB-CB 4.5Å; I64-V147 HydrophobicContact CB-CG1 4.25Å; I64-V147 HydrophobicContact CB-CG2 4.22Å; I64-V147 HydrophobicContact CD1-CG2 4.19Å; I64-V147 HydrophobicContact CG1-CG2 4.49Å; I64-V147 HydrophobicContact CG2-CG1 4.29Å; I64-V147 WeakPolarHBondContact O-CA 3.46Å; F83-V147 HydrophobicContact CE1-CG1 4.09Å; F83-V147 HydrophobicContact CE2-CG1 4.43Å; F83-V147 HydrophobicContact CZ-CG1 3.63Å; F145-V147 HydrophobicContact CB-CG2 4.16Å; V147-G149 PolarHBondContact O-N 3.38Å; V147-V150 PolarHBondContact N-O 3.24Å; V147-V150 WeakPolarHBondContact O-CB 3.26Å; V147-V150 PolarHBondContact O-N 3.37Å; V147-F152 HydrophobicContact CG2-CB 4.07Å; V147-F152 HydrophobicContact CG2-CD1 4.12Å; V147-F152 HydrophobicContact CG2-CG 4.43Å; V147-F268 HydrophobicContact CB-CB 4.37Å; V147-F268 HydrophobicContact CB-CD1 3.92Å; V147-F268 HydrophobicContact CB-CD2 4.07Å; V147-F268 HydrophobicContact CB-CE1 4.17Å; V147-F268 HydrophobicContact CB-CE2 4.31Å; V147-F268 HydrophobicContact CB-CG 3.85Å; V147-F268 HydrophobicContact CB-CZ 4.36Å; V147-F268 HydrophobicContact CG1-CB 4.2Å; V147-F268 HydrophobicContact CG1-CD1 3.45Å; V147-F268 VanDerWaalsContact CG1-CD1 3.45Å; V147-F268 HydrophobicContact CG1-CD2 4.48Å; V147-F268 HydrophobicContact CG1-CE1 3.86Å; V147-F268 HydrophobicContact CG1-CG 3.79Å; V147-F268 HydrophobicContact CG2-CB 4.3Å; V147-F268 HydrophobicContact CG2-CD2 4.48Å; V147-F268 HydrophobicContact CG2-CG 4.27Å
148L88.6Confident91.2Very high42 Ų4234.1 Ų34.122%0.2218%0.18CC..THydrogen-bonded Turntrans5236.5-175.1-58.6176.9000113.5I64 A65 F83 V87 R88 C91 V150 F268I64-L148 PolarHBondContact O-N 3.04Å; A65-L148 WeakPolarHBondContact O-CD2 3.47Å; F83-L148 HydrophobicContact CB-CD1 4.24Å; F83-L148 HydrophobicContact CD1-CD1 4.4Å; F83-L148 HydrophobicContact CD2-CD1 3.86Å; F83-L148 HydrophobicContact CD2-CD2 3.79Å; F83-L148 HydrophobicContact CD2-CG 4.01Å; F83-L148 HydrophobicContact CE2-CD1 4.25Å; F83-L148 HydrophobicContact CE2-CD2 3.88Å; F83-L148 HydrophobicContact CE2-CG 3.98Å; F83-L148 HydrophobicContact CG-CD1 3.93Å; F83-L148 HydrophobicContact CZ-CG 4.5Å; V87-L148 HydrophobicContact CG1-CD1 4.2Å; R88-L148 HydrophobicContact CG-CD1 4.33Å; C91-L148 HydrophobicContact CB-CB 4.12Å; L148-V150 VanDerWaalsContact C-N 3.26Å; L148-V150 PolarHBondContact O-N 2.94Å; L148-F268 HydrophobicContact CD1-CE1 4.37Å
149G86Confident91.5Very high51 Ų5132.4 Ų32.453%0.52617%0.17SC..THydrogen-bonded Turntrans78.73.1-177.300000114.8V147V147-G149 PolarHBondContact O-N 3.38Å
150V86.9Confident91.2Very high11 Ų1128.7 Ų28.77%0.06715%0.151CC..EExtended strand (participates in β ladder)trans-104128-179.5-176.60000110.2C91 T96 V99 E146 V147 L148 F152 F268C91-V150 HydrophobicContact CB-CG2 4.18Å; T96-V150 HydrophobicContact CG2-CG2 4.48Å; V99-V150 HydrophobicContact CG1-CG1 3.93Å; E146-V150 WeakPolarHBondContact CA-O 3.27Å; V147-V150 PolarHBondContact N-O 3.24Å; V147-V150 WeakPolarHBondContact O-CB 3.26Å; V147-V150 PolarHBondContact O-N 3.37Å; L148-V150 VanDerWaalsContact C-N 3.26Å; L148-V150 PolarHBondContact O-N 2.94Å; V150-F152 PolarHBondContact O-N 3.47Å; V150-F268 HydrophobicContact CB-CE2 3.92Å; V150-F268 HydrophobicContact CB-CZ 3.92Å; V150-F268 HydrophobicContact CG1-CE2 3.91Å; V150-F268 HydrophobicContact CG1-CZ 4.28Å; V150-F268 HydrophobicContact CG2-CZ 4.23Å
151P89.2Confident90.5Very high63 Ų6325.4 Ų25.441%0.40914%0.138SC..EExtended strand (participates in β ladder)trans-61.5127.3173.6-23.633.9000112.3F101 K102F101-P151 HydrophobicContact CD2-CB 4.45Å; K102-P151 PolarHBondContact N-O 3.02Å
152F91.1Very high89.5Confident0 Ų024.8 Ų24.80%014%0.135CC..EExtended strand (participates in β ladder)trans-135.9154.3179.8-179.8-117000110.3K102 S104 F145 V147 V150 L154 A264 A267 F268K102-F152 HydrophobicContact CB-CD2 3.65Å; K102-F152 HydrophobicContact CB-CE2 4.22Å; K102-F152 CarbonylContact O-C 3.58Å; K102-F152 WeakPolarHBondContact O-CA 3.45Å; K102-F152 VanDerWaalsContact O-CD2 3.25Å; K102-F152 WeakPolarHBondContact O-CD2 3.15Å; S104-F152 WeakPolarHBondContact OG-CZ 3.2Å; F145-F152 HydrophobicContact CB-CB 4.49Å; F145-F152 HydrophobicContact CB-CD1 4.45Å; F145-F152 PolarHBondContact N-O 3.23Å; F145-F152 PolarHBondContact O-N 3.26Å; V147-F152 HydrophobicContact CG2-CB 4.07Å; V147-F152 HydrophobicContact CG2-CD1 4.12Å; V147-F152 HydrophobicContact CG2-CG 4.43Å; V150-F152 PolarHBondContact O-N 3.47Å; F152-L154 HydrophobicContact CE1-CD2 3.47Å; F152-L154 VanDerWaalsContact CE1-CD2 3.47Å; F152-L154 HydrophobicContact CE1-CG 4.13Å; F152-L154 HydrophobicContact CZ-CD2 3.71Å; F152-A264 HydrophobicContact CD1-CB 4.39Å; F152-A264 HydrophobicContact CE1-CB 4.17Å; F152-A264 WeakPolarHBondContact CE1-O 3.36Å; F152-A267 HydrophobicContact CE1-CB 4.34Å; F152-A267 HydrophobicContact CZ-CB 3.88Å; F152-F268 HydrophobicContact CB-CD2 4.01Å; F152-F268 HydrophobicContact CD1-CB 4.14Å; F152-F268 HydrophobicContact CD2-CB 4.31Å; F152-F268 AromaticContact CD2-CD2 3.9Å; F152-F268 HydrophobicContact CD2-CD2 3.9Å; F152-F268 HydrophobicContact CE1-CB 4.12Å; F152-F268 HydrophobicContact CE2-CB 4.32Å; F152-F268 HydrophobicContact CG-CB 4.22Å; F152-F268 AromaticContact CG-CD2 3.93Å; F152-F268 HydrophobicContact CG-CD2 3.93Å; F152-F268 HydrophobicContact CZ-CB 4.2Å
153S93.1Very high88.1Confident0 Ų027.5 Ų27.50%015%0.147CC..EExtended strand (participates in β ladder)trans-144.2140.7177.4-68.20000112.8F101 K102 I103 S104 E143 R144F101-S153 WeakPolarHBondContact CE1-OG 3.4Å; F101-S153 WeakPolarHBondContact CE2-OG 3.39Å; F101-S153 WeakPolarHBondContact CZ-OG 3.46Å; K102-S153 PolarHBondContact O-N 2.8Å; I103-S153 CarbonylContact C-O 3.53Å; I103-S153 VanDerWaalsContact CA-O 3.3Å; I103-S153 WeakPolarHBondContact CA-O 3.34Å; S104-S153 PolarHBondContact N-O 3.14Å; E143-S153 CarbonylContact O-C 3.55Å; E143-S153 VanDerWaalsContact O-CA 3.23Å; E143-S153 WeakPolarHBondContact O-CA 3.46Å; R144-S153 WeakPolarHBondContact CG-OG 3.46Å
154L96Very high86.7Confident0 Ų035.3 Ų35.30%018%0.176CC..EExtended strand (participates in β ladder)trans-98.2130169.8-63.5-174.3000109.3S104 V106 M142 E143 F145 F152 L156 V263 A264 A267S104-L154 WeakPolarHBondContact O-CA 3.26Å; V106-L154 HydrophobicContact CG2-CB 4.29Å; V106-L154 HydrophobicContact CG2-CD1 4.44Å; V106-L154 HydrophobicContact CG2-CD2 3.88Å; V106-L154 HydrophobicContact CG2-CG 4.44Å; M142-L154 WeakPolarHBondContact CA-O 3.49Å; E143-L154 PolarHBondContact N-O 2.92Å; E143-L154 PolarHBondContact O-N 2.95Å; F145-L154 HydrophobicContact CD2-CG 4.29Å; F145-L154 HydrophobicContact CE2-CB 4.25Å; F145-L154 HydrophobicContact CE2-CD1 3.74Å; F145-L154 HydrophobicContact CE2-CG 3.75Å; F145-L154 HydrophobicContact CZ-CD1 4.09Å; F152-L154 HydrophobicContact CE1-CD2 3.47Å; F152-L154 VanDerWaalsContact CE1-CD2 3.47Å; F152-L154 HydrophobicContact CE1-CG 4.13Å; F152-L154 HydrophobicContact CZ-CD2 3.71Å; L154-L156 HydrophobicContact CB-CD2 4Å; L154-L156 HydrophobicContact CB-CG 4.42Å; L154-L156 HydrophobicContact CD1-CD2 4.37Å; L154-V263 HydrophobicContact CD1-CG1 4.11Å; L154-A264 HydrophobicContact CD1-CB 3.9Å; L154-A264 HydrophobicContact CG-CB 4.29Å; L154-A267 HydrophobicContact CD2-CB 4.37Å
155Q95.7Very high85.6Confident43 Ų4335 Ų3520%0.20118%0.176CC..EExtended strand (participates in β ladder)trans-94.9105.1164.9-75.7-175.415.400108I103 S104 V106 F140 M142I103-Q155 HydrophobicContact CG2-CB 4.45Å; I103-Q155 HydrophobicContact CG2-CG 3.56Å; S104-Q155 PolarHBondContact O-N 3.46Å; V106-Q155 PolarHBondContact N-O 2.75Å; V106-Q155 VanDerWaalsContact O-O 3.04Å; F140-Q155 HydrophobicContact CE2-CB 3.7Å; F140-Q155 HydrophobicContact CE2-CG 3.67Å; F140-Q155 HydrophobicContact CZ-CB 4.34Å; F140-Q155 HydrophobicContact CZ-CG 3.88Å; M142-Q155 HydrophobicContact CE-CG 4.08Å
156L96.3Very high84.4Confident0 Ų037.7 Ų37.70%019%0.188CC..EExtended strand (participates in β ladder)trans-92.9113.3-178.9-54.9179.1000109.3V106 I120 F123 C124 F140 E141 L154 F260V106-L156 HydrophobicContact CB-CD2 3.85Å; V106-L156 HydrophobicContact CG1-CD2 4.1Å; V106-L156 HydrophobicContact CG2-CD2 4.06Å; I120-L156 HydrophobicContact CG2-CB 4.37Å; I120-L156 HydrophobicContact CG2-CD1 4.12Å; F123-L156 HydrophobicContact CD1-CD1 4.15Å; C124-L156 VanDerWaalsContact SG-CD1 3.58Å; F140-L156 WeakPolarHBondContact CA-O 3.49Å; E141-L156 HydrophobicContact CB-CB 4.38Å; E141-L156 PolarHBondContact N-O 3.48Å; E141-L156 PolarHBondContact O-N 3.11Å; L154-L156 HydrophobicContact CB-CD2 4Å; L154-L156 HydrophobicContact CB-CG 4.42Å; L154-L156 HydrophobicContact CD1-CD2 4.37Å; L156-F260 HydrophobicContact CD1-CE1 4.14Å; L156-F260 HydrophobicContact CD2-CD1 4.31Å; L156-F260 HydrophobicContact CD2-CE1 3.88Å
157W94.4Very high83.3Confident48 Ų4838.9 Ų38.918%0.18220%0.203CC..EExtended strand (participates in β ladder)trans-102106.3178-65.280.1000109.5V106 I107 V108 V138 F140 Y172V106-W157 PolarHBondContact O-N 2.96Å; I107-W157 HydrophobicContact CG2-CB 4.09Å; I107-W157 HydrophobicContact CG2-CG 4.48Å; V108-W157 PolarHBondContact N-O 3.18Å; V138-W157 HydrophobicContact CG1-CB 4.48Å; V138-W157 HydrophobicContact CG1-CE3 3.68Å; V138-W157 HydrophobicContact CG1-CZ3 4.39Å; F140-W157 AromaticContact CD2-CD2 3.97Å; F140-W157 HydrophobicContact CD2-CD2 3.97Å; F140-W157 AromaticContact CD2-CE2 3.67Å; F140-W157 HydrophobicContact CD2-CE3 4.35Å; F140-W157 HydrophobicContact CD2-CG 4.46Å; F140-W157 HydrophobicContact CD2-CH2 4.28Å; F140-W157 AromaticContact CD2-CZ2 3.86Å; F140-W157 HydrophobicContact CD2-CZ2 3.86Å; F140-W157 AromaticContact CD2-NE1 3.93Å; F140-W157 AromaticContact CE2-CE2 3.99Å; F140-W157 HydrophobicContact CE2-CZ2 4.07Å; F140-W157 AromaticContact CE2-NE1 3.96Å; W157-Y172 AromaticContact CE3-CD1 3.98Å; W157-Y172 HydrophobicContact CE3-CD1 3.98Å; W157-Y172 HydrophobicContact CE3-CG 4.45Å; W157-Y172 HydrophobicContact CH2-CD1 4.15Å; W157-Y172 AromaticContact CZ3-CD1 3.42Å; W157-Y172 HydrophobicContact CZ3-CD1 3.42Å; W157-Y172 VanDerWaalsContact CZ3-CD1 3.42Å; W157-Y172 AromaticContact CZ3-CE1 3.96Å; W157-Y172 HydrophobicContact CZ3-CE1 3.96Å; W157-Y172 HydrophobicContact CZ3-CG 4.3Å
158D91.9Very high82.5Confident5 Ų542.9 Ų42.93%0.02722%0.224CC..EExtended strand (participates in β ladder)trans-82.3121174.9-172.929.4000109.9K116 T117 I120 T135 V138 D139K116-D158 WeakPolarHBondContact CB-OD1 3.27Å; T117-D158 WeakPolarHBondContact CA-OD2 3.19Å; T117-D158 VanDerWaalsContact CB-OD2 3.23Å; T117-D158 WeakPolarHBondContact CB-OD2 3.07Å; T117-D158 WeakPolarHBondContact CG2-OD2 3.33Å; T117-D158 PolarHBondContact N-OD1 3.38Å; T117-D158 PolarHBondContact OG1-OD1 2.76Å; T117-D158 PolarHBondContact OG1-OD2 3.41Å; I120-D158 HydrophobicContact CD1-CB 3.52Å; T135-D158 PolarHBondContact OG1-OD2 2.97Å; V138-D158 CarbonylContact C-O 3.54Å; V138-D158 VanDerWaalsContact CA-O 3.24Å; V138-D158 WeakPolarHBondContact CA-O 3.48Å; V138-D158 WeakPolarHBondContact CG1-O 3.17Å; D139-D158 HydrophobicContact CB-CB 4.15Å; D139-D158 PolarHBondContact N-O 2.91Å; D139-D158 PolarHBondContact O-N 2.95Å
159T88.1Confident81.9Confident1 Ų140.9 Ų40.91%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-105.4145.7-175.269.70000111.4V108 V109 K116 G161 Y173V108-T159 WeakPolarHBondContact O-CB 3.34Å; V108-T159 WeakPolarHBondContact O-CG2 3.31Å; V108-T159 PolarHBondContact O-N 3.31Å; V108-T159 PolarHBondContact O-OG1 3.28Å; V109-T159 HydrophobicContact CG1-CG2 4.45Å; K116-T159 WeakPolarHBondContact CE-O 3.21Å; T159-G161 PolarHBondContact O-N 3.06Å; T159-Y173 HydrophobicContact CG2-CE1 3.81Å
160A81.9Confident81.5Confident1 Ų140 Ų401%0.00820%0.199CC..  trans-61.4126.217000000110.9T135 G137 Q162 F165T135-A160 VanDerWaalsContact O-CB 3.23Å; T135-A160 WeakPolarHBondContact O-CB 3.15Å; G137-A160 VanDerWaalsContact O-CB 3.25Å; G137-A160 WeakPolarHBondContact O-CB 3.35Å; G137-A160 PolarHBondContact O-N 2.94Å; A160-Q162 VanDerWaalsContact C-N 3.27Å; A160-Q162 PolarHBondContact O-N 3.45Å; A160-F165 HydrophobicContact CB-CB 3.86Å; A160-F165 HydrophobicContact CB-CD2 4.19Å; A160-F165 HydrophobicContact CB-CG 4.43Å
161G73.6Confident81.3Confident6 Ų644.6 Ų44.66%0.06223%0.227CC..  trans-81.50.1176.400000114.9G110 L112 K116 T159G110-G161 VanDerWaalsContact O-CA 3.27Å; G110-G161 WeakPolarHBondContact O-CA 3.43Å; L112-G161 PolarHBondContact N-O 3.33Å; L112-G161 VanDerWaalsContact N-O 3.14Å; K116-G161 VanDerWaalsContact NZ-CA 3.3Å; T159-G161 PolarHBondContact O-N 3.06Å
162Q73.4Confident81.2Confident37 Ų3746 Ų4617%0.17323%0.225CC..SBendtrans-87.5130.6179.7-172.71697400110.1L112 A160 R164 F165L112-Q162 HydrophobicContact CD1-CB 4.15Å; A160-Q162 VanDerWaalsContact C-N 3.27Å; A160-Q162 PolarHBondContact O-N 3.45Å; Q162-R164 HydrophobicContact CG-CB 4.31Å; Q162-R164 HydrophobicContact CG-CG 4.46Å; Q162-R164 PolarHBondContact O-N 3.25Å; Q162-R164 VanDerWaalsContact O-N 3.13Å; Q162-F165 HydrophobicContact CB-CD2 3.98Å; Q162-F165 HydrophobicContact CB-CE2 4.49Å; Q162-F165 HydrophobicContact CG-CD2 4.49Å; Q162-F165 PolarHBondContact O-N 2.85Å
163E63.8Low81.1Confident123 Ų12346.2 Ų46.258%0.57523%0.225SC*.G310 helixtrans-55.8-34.1-177.264.6-68.7149.100113.4F165 K166E163-F165 PolarHBondContact O-N 2.9Å; E163-F165 VanDerWaalsContact O-N 3.14Å; E163-K166 HydrophobicContact CB-CD 4.1Å; E163-K166 VanDerWaalsContact O-CB 3.32Å; E163-K166 WeakPolarHBondContact O-CB 3.1Å; E163-K166 PolarHBondContact O-N 2.86Å
164R64.4Low81Confident178 Ų17855 Ų5567%0.67226%0.259SS*.G310 helixtrans-62.8-19.3177.6-58.9-172.8-59.5-1770.4114.1Q162Q162-R164 HydrophobicContact CG-CB 4.31Å; Q162-R164 HydrophobicContact CG-CG 4.46Å; Q162-R164 PolarHBondContact O-N 3.25Å; Q162-R164 VanDerWaalsContact O-N 3.13Å
165F68.1Low80.7Confident57 Ų5757.2 Ų57.225%0.2528%0.282CS..G310 helixtrans-1073.2177.6-58.1-54.9000113.1A160 Q162 E163 C167 I168 A169A160-F165 HydrophobicContact CB-CB 3.86Å; A160-F165 HydrophobicContact CB-CD2 4.19Å; A160-F165 HydrophobicContact CB-CG 4.43Å; Q162-F165 HydrophobicContact CB-CD2 3.98Å; Q162-F165 HydrophobicContact CB-CE2 4.49Å; Q162-F165 HydrophobicContact CG-CD2 4.49Å; Q162-F165 PolarHBondContact O-N 2.85Å; E163-F165 PolarHBondContact O-N 2.9Å; E163-F165 VanDerWaalsContact O-N 3.14Å; F165-C167 VanDerWaalsContact C-N 3.33Å; F165-C167 PolarHBondContact O-N 3.31Å; F165-I168 HydrophobicContact CD1-CD1 4.18Å; F165-I168 WeakPolarHBondContact O-CB 3.32Å; F165-I168 PolarHBondContact O-N 3.19Å; F165-A169 PolarHBondContact O-N 3.12Å
166K68.1Low80.6Confident55 Ų5555.4 Ų55.424%0.23927%0.274CS..Hα-helixtrans-56.8-41.4-179.3-82.2177.3176.5-165.20113.1E163 I168 A169 S170 W197 D200E163-K166 HydrophobicContact CB-CD 4.1Å; E163-K166 VanDerWaalsContact O-CB 3.32Å; E163-K166 WeakPolarHBondContact O-CB 3.1Å; E163-K166 PolarHBondContact O-N 2.86Å; K166-I168 PolarHBondContact O-N 2.94Å; K166-A169 PolarHBondContact O-N 2.98Å; K166-S170 WeakPolarHBondContact O-CB 3.09Å; K166-S170 PolarHBondContact O-N 2.81Å; K166-S170 PolarHBondContact O-OG 2.74Å; K166-W197 HydrophobicContact CD-CH2 4.07Å; K166-W197 HydrophobicContact CD-CZ3 4.28Å; K166-W197 HydrophobicContact CG-CH2 3.71Å; K166-W197 HydrophobicContact CG-CZ3 3.89Å; K166-D200 IonicContact NZ-OD2 3.34Å
167C68.8Low80.6Confident96 Ų9658 Ų5865%0.64929%0.287SS*.Hα-helixtrans-63.1-30.3177.6-61.80000112.9F165 S170 T171F165-C167 VanDerWaalsContact C-N 3.33Å; F165-C167 PolarHBondContact O-N 3.31Å; C167-S170 PolarHBondContact O-OG 3.34Å; C167-S170 VanDerWaalsContact O-OG 3.13Å; C167-T171 PolarHBondContact O-OG1 2.86Å
168I73.2Confident80.7Confident84 Ų8455.8 Ų55.843%0.43128%0.278SS..Hα-helixtrans-75.6-44.9176.1-59177.1000109F165 K166 Y172F165-I168 HydrophobicContact CD1-CD1 4.18Å; F165-I168 WeakPolarHBondContact O-CB 3.32Å; F165-I168 PolarHBondContact O-N 3.19Å; K166-I168 PolarHBondContact O-N 2.94Å; I168-Y172 HydrophobicContact CG2-CE2 4.3Å; I168-Y172 WeakPolarHBondContact O-CD2 3.39Å; I168-Y172 WeakPolarHBondContact O-CE2 3.31Å
169A75.4Confident80.9Confident0 Ų055.5 Ų55.50%028%0.277CS..Hα-helixtrans-63.6-40.118000000112.8V138 F165 K166 T171 Y172 Y173V138-A169 HydrophobicContact CG2-CB 4.34Å; F165-A169 PolarHBondContact O-N 3.12Å; K166-A169 PolarHBondContact O-N 2.98Å; A169-T171 PolarHBondContact O-N 3.22Å; A169-Y172 WeakPolarHBondContact O-CB 3.36Å; A169-Y172 PolarHBondContact O-N 3.3Å; A169-Y173 HydrophobicContact CB-CE1 4.06Å; A169-Y173 VanDerWaalsContact O-CD1 3.23Å; A169-Y173 WeakPolarHBondContact O-CD1 3.41Å; A169-Y173 VanDerWaalsContact O-CE1 3.3Å; A169-Y173 WeakPolarHBondContact O-CE1 3.18Å
170S78.7Confident81.4Confident33 Ų3355.5 Ų55.523%0.23128%0.276CS..Hα-helixtrans-61-32-176.563.80000113.3K166 C167 Y172 Y173K166-S170 WeakPolarHBondContact O-CB 3.09Å; K166-S170 PolarHBondContact O-N 2.81Å; K166-S170 PolarHBondContact O-OG 2.74Å; C167-S170 PolarHBondContact O-OG 3.34Å; C167-S170 VanDerWaalsContact O-OG 3.13Å; S170-Y172 PolarHBondContact O-N 3.25Å; S170-Y172 VanDerWaalsContact O-N 3.11Å; S170-Y173 WeakPolarHBondContact O-CB 3.45Å; S170-Y173 PolarHBondContact O-N 3Å
171T82.9Confident82.1Confident106 Ų10655.5 Ų55.565%0.6528%0.276SS*.THydrogen-bonded Turntrans-58.9-25.6174.9-54.40000112.1C167 A169C167-T171 PolarHBondContact O-OG1 2.86Å; A169-T171 PolarHBondContact O-N 3.22Å
172Y86.1Confident83.3Confident94 Ų9455.2 Ų55.237%0.36927%0.274SS..THydrogen-bonded Turntrans-92.4-5.5179.3-60.7-86.3000113.6K105 V138 W157 I168 A169 S170K105-Y172 WeakPolarHBondContact CE-O 3.23Å; K105-Y172 PolarHBondContact NZ-O 2.95Å; V138-Y172 HydrophobicContact CB-CD2 4.16Å; V138-Y172 HydrophobicContact CB-CE2 4.34Å; V138-Y172 HydrophobicContact CB-CG 4.43Å; V138-Y172 HydrophobicContact CG1-CG 4.33Å; V138-Y172 HydrophobicContact CG2-CD2 3.51Å; V138-Y172 HydrophobicContact CG2-CE2 3.91Å; V138-Y172 HydrophobicContact CG2-CG 4.07Å; W157-Y172 AromaticContact CE3-CD1 3.98Å; W157-Y172 HydrophobicContact CE3-CD1 3.98Å; W157-Y172 HydrophobicContact CE3-CG 4.45Å; W157-Y172 HydrophobicContact CH2-CD1 4.15Å; W157-Y172 AromaticContact CZ3-CD1 3.42Å; W157-Y172 HydrophobicContact CZ3-CD1 3.42Å; W157-Y172 VanDerWaalsContact CZ3-CD1 3.42Å; W157-Y172 AromaticContact CZ3-CE1 3.96Å; W157-Y172 HydrophobicContact CZ3-CE1 3.96Å; W157-Y172 HydrophobicContact CZ3-CG 4.3Å; I168-Y172 HydrophobicContact CG2-CE2 4.3Å; I168-Y172 WeakPolarHBondContact O-CD2 3.39Å; I168-Y172 WeakPolarHBondContact O-CE2 3.31Å; A169-Y172 WeakPolarHBondContact O-CB 3.36Å; A169-Y172 PolarHBondContact O-N 3.3Å; S170-Y172 PolarHBondContact O-N 3.25Å; S170-Y172 VanDerWaalsContact O-N 3.11Å
173Y90Very high84.5Confident3 Ų353.5 Ų53.51%0.01227%0.265CS..THydrogen-bonded Turntrans-73.6-30.1-177-66.6-3.4000112.8I107 V109 T159 A169 S170 G175 A176 A201 N205I107-Y173 HydrophobicContact CD1-CD1 3.74Å; I107-Y173 HydrophobicContact CD1-CE1 4.37Å; I107-Y173 HydrophobicContact CD1-CG 3.82Å; V109-Y173 HydrophobicContact CG1-CE1 3.93Å; V109-Y173 HydrophobicContact CG1-CE2 4.48Å; T159-Y173 HydrophobicContact CG2-CE1 3.81Å; A169-Y173 HydrophobicContact CB-CE1 4.06Å; A169-Y173 VanDerWaalsContact O-CD1 3.23Å; A169-Y173 WeakPolarHBondContact O-CD1 3.41Å; A169-Y173 VanDerWaalsContact O-CE1 3.3Å; A169-Y173 WeakPolarHBondContact O-CE1 3.18Å; S170-Y173 WeakPolarHBondContact O-CB 3.45Å; S170-Y173 PolarHBondContact O-N 3Å; Y173-G175 PolarHBondContact O-N 3.28Å; Y173-A176 WeakPolarHBondContact O-CB 3.36Å; Y173-A176 PolarHBondContact O-N 2.97Å; Y173-A201 HydrophobicContact CD2-CB 4.36Å; Y173-N205 PolarHBondContact O-ND2 3.4Å; Y173-N205 PolarHBondContact O-OD1 2.94Å
174R90.4Very high86Confident184 Ų18448.4 Ų48.469%0.69424%0.242SC*.THydrogen-bonded Turntrans-55.1132.5-174.5-174.8179.1174.381.72.3112.5K105 A176K105-R174 PolarHBondContact NZ-O 3.36Å; R174-A176 VanDerWaalsContact C-N 3.32Å
175G89.7Confident87.6Confident48 Ų4840 Ų4050%0.49521%0.211SC..THydrogen-bonded Turntrans74.820.417700000113.7Y173 N205Y173-G175 PolarHBondContact O-N 3.28Å; G175-N205 PolarHBondContact N-OD1 2.68Å
176A94.4Very high88.9Confident4 Ų439.5 Ų39.53%0.03321%0.211CC..  trans-66.2133.9169.400000109.6I107 Y173 R174 V179 N205 V210I107-A176 HydrophobicContact CD1-CB 4.04Å; I107-A176 HydrophobicContact CG1-CB 3.97Å; I107-A176 HydrophobicContact CG2-CB 3.95Å; Y173-A176 WeakPolarHBondContact O-CB 3.36Å; Y173-A176 PolarHBondContact O-N 2.97Å; R174-A176 VanDerWaalsContact C-N 3.32Å; A176-V179 HydrophobicContact CB-CG2 4.38Å; A176-N205 PolarHBondContact N-OD1 2.76Å; A176-V210 WeakPolarHBondContact O-CG2 3.4Å
177Q94.8Very high90.2Very high56 Ų5640.2 Ų40.226%0.26222%0.217SC..SBendtrans-95-23170.8-71.6142.4-64.500111.1K105 Q211 N271K105-Q177 PolarHBondContact O-N 2.96Å; Q177-Q211 PolarHBondContact O-N 3.3Å; Q177-N271 PolarHBondContact NE2-ND2 3.23Å; Q177-N271 PolarHBondContact NE2-OD1 3.46Å
178V96.8Very high91.4Very high0 Ų041.7 Ų41.70%022%0.217CC..EExtended strand (participates in β ladder)trans-133.1135177.6-174.30000109.6K105 V106 I107 I180 Q211 F213 V263 A267K105-V178 PolarHBondContact O-N 3.39Å; K105-V178 VanDerWaalsContact O-N 3.14Å; V106-V178 WeakPolarHBondContact CA-O 3.33Å; V106-V178 HydrophobicContact CB-CB 4.31Å; V106-V178 HydrophobicContact CG1-CB 4.05Å; V106-V178 HydrophobicContact CG1-CG1 4.07Å; V106-V178 HydrophobicContact CG2-CB 4.02Å; V106-V178 HydrophobicContact CG2-CG2 4.28Å; I107-V178 PolarHBondContact N-O 3.28Å; V178-I180 HydrophobicContact CG1-CG1 4.27Å; V178-Q211 CarbonylContact C-O 3.53Å; V178-Q211 WeakPolarHBondContact CA-O 3.36Å; V178-Q211 HydrophobicContact CG2-CB 4.37Å; V178-F213 HydrophobicContact CG1-CD2 3.6Å; V178-F213 HydrophobicContact CG1-CE2 3.7Å; V178-V263 HydrophobicContact CG1-CG1 4.03Å; V178-V263 HydrophobicContact CG2-CG1 4.44Å; V178-A267 HydrophobicContact CG2-CB 3.9Å
179V97Very high92.4Very high0 Ų040.1 Ų40.10%022%0.216CC..EExtended strand (participates in β ladder)trans-118.3121.9171.4178.80000108.7I107 V109 A176 I181 A201 V210 Q211 L212 F213I107-V179 HydrophobicContact CD1-CG1 4.46Å; I107-V179 HydrophobicContact CD1-CG2 3.88Å; I107-V179 HydrophobicContact CG1-CB 4.26Å; I107-V179 HydrophobicContact CG1-CG1 4.21Å; I107-V179 HydrophobicContact CG1-CG2 3.76Å; V109-V179 HydrophobicContact CG2-CG1 3.99Å; A176-V179 HydrophobicContact CB-CG2 4.38Å; V179-I181 HydrophobicContact CG1-CD1 3.94Å; V179-I181 HydrophobicContact CG1-CG1 4.05Å; V179-A201 HydrophobicContact CG1-CB 4.01Å; V179-A201 HydrophobicContact CG2-CB 4.34Å; V179-V210 HydrophobicContact CB-CG1 4.09Å; V179-V210 HydrophobicContact CG2-CG1 3.45Å; V179-V210 VanDerWaalsContact CG2-CG1 3.45Å; V179-Q211 PolarHBondContact N-O 2.79Å; V179-L212 HydrophobicContact CB-CD2 3.83Å; V179-L212 HydrophobicContact CG1-CD2 4.5Å; V179-L212 HydrophobicContact CG2-CD2 4.37Å; V179-F213 PolarHBondContact O-N 3.03Å
180I97.9Very high93.4Very high0 Ų040.2 Ų40.20%022%0.217CC..EExtended strand (participates in β ladder)trans-103.8114.4173.8-60.1174000107.6V106 I107 V108 V109 V178 F213 V215 F259 F260 V263V106-I180 HydrophobicContact CG1-CD1 3.49Å; V106-I180 VanDerWaalsContact CG1-CD1 3.49Å; V106-I180 HydrophobicContact CG1-CG1 3.89Å; I107-I180 PolarHBondContact O-N 3.43Å; V108-I180 WeakPolarHBondContact CA-O 3.25Å; V108-I180 HydrophobicContact CG1-CB 4.29Å; V108-I180 HydrophobicContact CG1-CG2 4.15Å; V108-I180 HydrophobicContact CG2-CB 4.2Å; V108-I180 HydrophobicContact CG2-CD1 4.2Å; V109-I180 PolarHBondContact N-O 3.24Å; V178-I180 HydrophobicContact CG1-CG1 4.27Å; I180-F213 HydrophobicContact CG1-CB 4.34Å; I180-V215 HydrophobicContact CG2-CB 4.29Å; I180-V215 HydrophobicContact CG2-CG2 3.56Å; I180-F259 HydrophobicContact CD1-CE1 3.89Å; I180-F259 HydrophobicContact CD1-CZ 3.75Å; I180-F259 HydrophobicContact CG1-CZ 4.03Å; I180-F259 HydrophobicContact CG2-CE1 4.29Å; I180-F259 HydrophobicContact CG2-CZ 3.92Å; I180-F260 HydrophobicContact CD1-CE1 4.03Å; I180-V263 HydrophobicContact CD1-CG2 4.5Å
181I97.3Very high94.3Very high1 Ų139.4 Ų39.41%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-97.4110175.4-5194.5000108.3V109 V179 A194 W197 L198 F213 L214 V215V109-I181 HydrophobicContact CG2-CB 4.43Å; V109-I181 HydrophobicContact CG2-CG1 3.99Å; V109-I181 HydrophobicContact CG2-CG2 4.49Å; V179-I181 HydrophobicContact CG1-CD1 3.94Å; V179-I181 HydrophobicContact CG1-CG1 4.05Å; I181-A194 HydrophobicContact CG2-CB 3.68Å; I181-W197 HydrophobicContact CG2-CB 4.47Å; I181-L198 HydrophobicContact CD1-CD1 4.11Å; I181-L198 HydrophobicContact CG1-CB 4.45Å; I181-F213 WeakPolarHBondContact CD1-O 3.46Å; I181-F213 PolarHBondContact N-O 3.01Å; I181-L214 HydrophobicContact CB-CD1 4.28Å; I181-L214 HydrophobicContact CG2-CD1 4.36Å; I181-V215 PolarHBondContact O-N 3.4Å
182A97.7Very high94.8Very high1 Ų137 Ų371%0.00821%0.206CC..EExtended strand (participates in β ladder)trans-98.4136.8-179.100000111.5V109 G110 V114 K116 V215 T217V109-A182 PolarHBondContact O-N 3.43Å; G110-A182 WeakPolarHBondContact CA-O 3.29Å; V114-A182 HydrophobicContact CG2-CB 4.05Å; K116-A182 HydrophobicContact CG-CB 3.9Å; A182-V215 WeakPolarHBondContact CA-O 3.45Å; A182-T217 HydrophobicContact CB-CG2 4.34Å
183F98.1Very high95.2Very high0 Ų037 Ų370%021%0.209CC..EExtended strand (participates in β ladder)trans-135.1163170.977-82.2000109.9V185 L191 L214 V215 G216 T217 I230 A234 Y245F183-V185 HydrophobicContact CE2-CG1 4.17Å; F183-V185 HydrophobicContact CZ-CG1 4.34Å; F183-L191 HydrophobicContact CD1-CD1 3.99Å; F183-L191 HydrophobicContact CD2-CB 3.82Å; F183-L191 HydrophobicContact CD2-CD1 4.14Å; F183-L191 HydrophobicContact CD2-CG 4.48Å; F183-L191 HydrophobicContact CE1-CD1 3.97Å; F183-L191 HydrophobicContact CE2-CB 4.2Å; F183-L191 HydrophobicContact CE2-CD1 4.14Å; F183-L191 HydrophobicContact CE2-CD2 4.46Å; F183-L191 HydrophobicContact CE2-CG 4.5Å; F183-L191 HydrophobicContact CG-CB 4.25Å; F183-L191 HydrophobicContact CG-CD1 4.07Å; F183-L191 HydrophobicContact CZ-CD1 4.06Å; F183-L214 HydrophobicContact CD1-CD1 3.78Å; F183-L214 HydrophobicContact CD1-CG 4.1Å; F183-L214 HydrophobicContact CE1-CD1 4.03Å; F183-L214 HydrophobicContact CE1-CD2 4.11Å; F183-L214 HydrophobicContact CE1-CG 3.83Å; F183-V215 WeakPolarHBondContact CD1-O 3.32Å; F183-V215 PolarHBondContact N-O 3.11Å; F183-G216 VanDerWaalsContact CE1-CA 3.45Å; F183-T217 PolarHBondContact O-N 3.1Å; F183-T217 PolarHBondContact O-OG1 2.96Å; F183-I230 HydrophobicContact CE2-CG1 4.05Å; F183-A234 HydrophobicContact CE1-CB 4.14Å; F183-A234 HydrophobicContact CE2-CB 4.49Å; F183-A234 HydrophobicContact CZ-CB 3.59Å; F183-Y245 HydrophobicContact CE1-CD2 4.47Å; F183-Y245 AromaticContact CE1-CE2 3.81Å; F183-Y245 HydrophobicContact CE1-CE2 3.81Å; F183-Y245 AromaticContact CZ-CE2 3.88Å; F183-Y245 HydrophobicContact CZ-CE2 3.88Å
184D97.3Very high95.4Very high17 Ų1736.9 Ų36.99%0.09121%0.209CC..EExtended strand (participates in β ladder)trans-92.4124175.9-177.7-14.9000108.9V114 N186 D187 S190 K218V114-D184 HydrophobicContact CB-CB 4.44Å; V114-D184 HydrophobicContact CG1-CB 4.37Å; D184-N186 PolarHBondContact O-N 3.17Å; D184-N186 WeakPolarHBondContact OD1-CB 3.47Å; D184-N186 PolarHBondContact OD1-N 3.05Å; D184-N186 PolarHBondContact OD1-ND2 2.87Å; D184-D187 HydrophobicContact CB-CB 4.09Å; D184-D187 PolarHBondContact O-N 2.85Å; D184-S190 PolarHBondContact N-OG 2.95Å; D184-S190 PolarHBondContact O-OG 3.44Å; D184-K218 VanDerWaalsContact OD2-CD 3.29Å; D184-K218 WeakPolarHBondContact OD2-CD 3.26Å; D184-K218 VanDerWaalsContact OD2-CE 3.25Å; D184-K218 WeakPolarHBondContact OD2-CE 3.42Å; D184-K218 IonicContact OD2-NZ 2.77Å; D184-K218 PolarHBondContact OD2-NZ 2.85Å
185V97.3Very high95.5Very high2 Ų233.7 Ų33.71%0.01220%0.2CC..THydrogen-bonded Turntrans-63.9-15.3-179-59.80000113F183 G216 T217 S222 Y227 I230F183-V185 HydrophobicContact CE2-CG1 4.17Å; F183-V185 HydrophobicContact CZ-CG1 4.34Å; V185-G216 VanDerWaalsContact CG1-CA 3.49Å; V185-T217 WeakPolarHBondContact CG2-O 3.2Å; V185-T217 PolarHBondContact N-O 3.38Å; V185-S222 WeakPolarHBondContact CG2-OG 3.47Å; V185-Y227 HydrophobicContact CG1-CE2 4.45Å; V185-I230 HydrophobicContact CB-CG2 4.08Å; V185-I230 WeakPolarHBondContact O-CG2 3.38Å
186N96.1Very high95.7Very high46 Ų4635.4 Ų35.425%0.24620%0.196CC..THydrogen-bonded Turntrans-93.3-5.6178.2-51.1-84.4000112.6D184 K218 S222D184-N186 PolarHBondContact O-N 3.17Å; D184-N186 WeakPolarHBondContact OD1-CB 3.47Å; D184-N186 PolarHBondContact OD1-N 3.05Å; D184-N186 PolarHBondContact OD1-ND2 2.87Å; N186-K218 PolarHBondContact ND2-O 3.03Å; N186-K218 VanDerWaalsContact ND2-O 3.12Å; N186-S222 WeakPolarHBondContact OD1-CA 3.43Å; N186-S222 PolarHBondContact OD1-N 2.61Å; N186-S222 PolarHBondContact OD1-OG 3.29Å
187D95.2Very high95.6Very high69 Ų6935.4 Ų35.437%0.36920%0.195SC..  trans-125.4102.5-178.4-178.53.6000111.4D184 A189 S190D184-D187 HydrophobicContact CB-CB 4.09Å; D184-D187 PolarHBondContact O-N 2.85Å; D187-A189 VanDerWaalsContact C-N 3.26Å; D187-A189 PolarHBondContact O-N 3.17Å; D187-A189 WeakPolarHBondContact OD1-CB 3.36Å; D187-A189 PolarHBondContact OD1-N 3.02Å; D187-S190 WeakPolarHBondContact O-CB 3.46Å; D187-S190 PolarHBondContact O-N 3.06Å; D187-S190 PolarHBondContact O-OG 2.96Å; D187-S190 PolarHBondContact OD1-N 3.21Å
188I93.1Very high95.5Very high128 Ų12833.3 Ų33.366%0.65619%0.185SC*.Hα-helixtrans-62.4-33.8179.9-60.6166.7000111.5S190 L191 G192 I230I188-S190 VanDerWaalsContact C-N 3.27Å; I188-S190 PolarHBondContact O-N 3.4Å; I188-L191 PolarHBondContact O-N 2.93Å; I188-G192 PolarHBondContact O-N 3.01Å; I188-G192 VanDerWaalsContact O-N 3.16Å; I188-I230 HydrophobicContact CG1-CD1 4.15Å
189A95Very high95.3Very high50 Ų5037.1 Ų37.141%0.41320%0.203SC..Hα-helixtrans-64.5-38179.800000110.7D187 L191 G192 H193D187-A189 VanDerWaalsContact C-N 3.26Å; D187-A189 PolarHBondContact O-N 3.17Å; D187-A189 WeakPolarHBondContact OD1-CB 3.36Å; D187-A189 PolarHBondContact OD1-N 3.02Å; A189-L191 VanDerWaalsContact C-N 3.28Å; A189-L191 PolarHBondContact O-N 3.5Å; A189-G192 WeakPolarHBondContact O-CA 3.23Å; A189-G192 PolarHBondContact O-N 2.93Å; A189-H193 VanDerWaalsContact O-CG 3.31Å; A189-H193 PolarHBondContact O-N 3.21Å; A189-H193 PolarHBondContact O-ND1 2.8Å
190S96.1Very high94.9Very high3 Ų338.7 Ų38.72%0.02121%0.211CC..Hα-helixtrans-61.4-33.9177.379.20000113.1D184 D187 I188 A194D184-S190 PolarHBondContact N-OG 2.95Å; D184-S190 PolarHBondContact O-OG 3.44Å; D187-S190 WeakPolarHBondContact O-CB 3.46Å; D187-S190 PolarHBondContact O-N 3.06Å; D187-S190 PolarHBondContact O-OG 2.96Å; D187-S190 PolarHBondContact OD1-N 3.21Å; I188-S190 VanDerWaalsContact C-N 3.27Å; I188-S190 PolarHBondContact O-N 3.4Å; S190-A194 PolarHBondContact O-N 2.57Å
191L96.3Very high94.6Very high16 Ų1638.7 Ų38.78%0.08421%0.211CC..Hα-helixtrans-69.6-40.5171.9-178.961.3000111.3F183 I188 A189 H193 A194 L214 I230 D233 A234 F237F183-L191 HydrophobicContact CD1-CD1 3.99Å; F183-L191 HydrophobicContact CD2-CB 3.82Å; F183-L191 HydrophobicContact CD2-CD1 4.14Å; F183-L191 HydrophobicContact CD2-CG 4.48Å; F183-L191 HydrophobicContact CE1-CD1 3.97Å; F183-L191 HydrophobicContact CE2-CB 4.2Å; F183-L191 HydrophobicContact CE2-CD1 4.14Å; F183-L191 HydrophobicContact CE2-CD2 4.46Å; F183-L191 HydrophobicContact CE2-CG 4.5Å; F183-L191 HydrophobicContact CG-CB 4.25Å; F183-L191 HydrophobicContact CG-CD1 4.07Å; F183-L191 HydrophobicContact CZ-CD1 4.06Å; I188-L191 PolarHBondContact O-N 2.93Å; A189-L191 VanDerWaalsContact C-N 3.28Å; A189-L191 PolarHBondContact O-N 3.5Å; L191-H193 VanDerWaalsContact C-N 3.31Å; L191-H193 PolarHBondContact O-N 3.48Å; L191-A194 WeakPolarHBondContact O-CB 3.41Å; L191-A194 PolarHBondContact O-N 2.88Å; L191-L214 HydrophobicContact CD1-CD1 4.41Å; L191-L214 HydrophobicContact CD1-CD2 4.19Å; L191-I230 HydrophobicContact CD2-CD1 3.79Å; L191-D233 HydrophobicContact CD2-CB 4.08Å; L191-A234 HydrophobicContact CD1-CB 4.41Å; L191-A234 HydrophobicContact CD2-CB 4.26Å; L191-F237 HydrophobicContact CD1-CD1 3.84Å; L191-F237 HydrophobicContact CD1-CG 4.48Å
192G94.8Very high94.4Very high54 Ų5440.5 Ų40.556%0.55722%0.221SC*.Hα-helixtrans-60.5-39.6175.300000113I188 A189 A194I188-G192 PolarHBondContact O-N 3.01Å; I188-G192 VanDerWaalsContact O-N 3.16Å; A189-G192 WeakPolarHBondContact O-CA 3.23Å; A189-G192 PolarHBondContact O-N 2.93Å; G192-A194 VanDerWaalsContact C-N 3.3Å; G192-A194 PolarHBondContact O-N 3.37Å
193H94.5Very high94Very high95 Ų9547 Ų4744%0.4425%0.249SC..Hα-helixtrans-74.3-17.5177.6-57.7151.2000113.8D111 A189 L191 K195 Q196 W197D111-H193 IonicContact OD1-ND1 3.92Å; D111-H193 IonicContact OD2-CE1 2.76Å; D111-H193 IonicContact OD2-CG 3.8Å; D111-H193 IonicContact OD2-ND1 3.55Å; D111-H193 PolarHBondContact OD2-ND1 3.35Å; A189-H193 VanDerWaalsContact O-CG 3.31Å; A189-H193 PolarHBondContact O-N 3.21Å; A189-H193 PolarHBondContact O-ND1 2.8Å; L191-H193 VanDerWaalsContact C-N 3.31Å; L191-H193 PolarHBondContact O-N 3.48Å; H193-K195 PolarHBondContact O-N 3.28Å; H193-K195 VanDerWaalsContact O-N 3.15Å; H193-Q196 WeakPolarHBondContact O-CB 3.43Å; H193-Q196 PolarHBondContact O-N 3.45Å; H193-W197 VanDerWaalsContact O-CD1 3.29Å; H193-W197 PolarHBondContact O-N 2.99Å
194A93.8Very high93.6Very high1 Ų150.9 Ų50.91%0.00827%0.267CS..Hα-helixtrans-55-34.4179.400000112.5I181 S190 L191 G192 W197 L198 L214 F237I181-A194 HydrophobicContact CG2-CB 3.68Å; S190-A194 PolarHBondContact O-N 2.57Å; L191-A194 WeakPolarHBondContact O-CB 3.41Å; L191-A194 PolarHBondContact O-N 2.88Å; G192-A194 VanDerWaalsContact C-N 3.3Å; G192-A194 PolarHBondContact O-N 3.37Å; A194-W197 PolarHBondContact O-N 3.22Å; A194-L198 PolarHBondContact O-N 3Å; A194-L214 HydrophobicContact CB-CD1 4.35Å; A194-F237 HydrophobicContact CB-CE1 3.68Å; A194-F237 HydrophobicContact CB-CZ 4.2Å
195K92.9Very high93.2Very high117 Ų11751 Ų5151%0.50927%0.267SS..Hα-helixtrans-61.4-45.3175-174176.5176.9178.90112.5H193 W197 L198 E199 F237H193-K195 PolarHBondContact O-N 3.28Å; H193-K195 VanDerWaalsContact O-N 3.15Å; K195-W197 VanDerWaalsContact C-N 3.32Å; K195-W197 PolarHBondContact O-N 2.96Å; K195-L198 WeakPolarHBondContact O-CB 3.46Å; K195-L198 PolarHBondContact O-N 2.93Å; K195-E199 VanDerWaalsContact CE-OE1 3.26Å; K195-E199 WeakPolarHBondContact CE-OE1 3.36Å; K195-E199 WeakPolarHBondContact O-CG 3.37Å; K195-E199 PolarHBondContact O-N 3.41Å; K195-F237 HydrophobicContact CB-CE2 3.97Å; K195-F237 HydrophobicContact CB-CZ 3.88Å; K195-F237 HydrophobicContact CG-CE2 4.45Å
196Q92.4Very high92.7Very high84 Ų8455 Ų5539%0.39329%0.289SS..Hα-helixtrans-63.9-40.4178.3-173.961.561.100111.3H193 L198 E199 D200H193-Q196 WeakPolarHBondContact O-CB 3.43Å; H193-Q196 PolarHBondContact O-N 3.45Å; Q196-L198 VanDerWaalsContact C-N 3.34Å; Q196-E199 PolarHBondContact O-N 2.88Å; Q196-D200 PolarHBondContact NE2-OD1 3.19Å; Q196-D200 VanDerWaalsContact NE2-OD1 3.1Å; Q196-D200 WeakPolarHBondContact O-CB 3.49Å; Q196-D200 VanDerWaalsContact O-CG 3.23Å; Q196-D200 PolarHBondContact O-N 3.5Å
197W92.8Very high91.9Very high3 Ų356.7 Ų56.71%0.01130%0.303CS..Hα-helixtrans-63.9-39.2176.3-75.2109.1000112.7V109 G110 D111 K166 I181 H193 A194 K195 A201V109-W197 HydrophobicContact CB-CB 4.41Å; V109-W197 HydrophobicContact CB-CE3 4.11Å; V109-W197 HydrophobicContact CG2-CB 4.11Å; G110-W197 VanDerWaalsContact C-CE2 3.43Å; G110-W197 VanDerWaalsContact O-CZ2 3.3Å; G110-W197 WeakPolarHBondContact O-CZ2 3.44Å; D111-W197 PolarHBondContact OD1-NE1 2.99Å; K166-W197 HydrophobicContact CD-CH2 4.07Å; K166-W197 HydrophobicContact CD-CZ3 4.28Å; K166-W197 HydrophobicContact CG-CH2 3.71Å; K166-W197 HydrophobicContact CG-CZ3 3.89Å; I181-W197 HydrophobicContact CG2-CB 4.47Å; H193-W197 VanDerWaalsContact O-CD1 3.29Å; H193-W197 PolarHBondContact O-N 2.99Å; A194-W197 PolarHBondContact O-N 3.22Å; K195-W197 VanDerWaalsContact C-N 3.32Å; K195-W197 PolarHBondContact O-N 2.96Å; W197-A201 WeakPolarHBondContact O-CB 3.47Å; W197-A201 PolarHBondContact O-N 2.81Å
198L92.8Very high91.2Very high13 Ų1359.5 Ų59.57%0.06832%0.322CS..Hα-helixtrans-62.9-49.7173.5175.464.2000111.2I181 A194 K195 Q196 D200 A201 L202 L212 I241I181-L198 HydrophobicContact CD1-CD1 4.11Å; I181-L198 HydrophobicContact CG1-CB 4.45Å; A194-L198 PolarHBondContact O-N 3Å; K195-L198 WeakPolarHBondContact O-CB 3.46Å; K195-L198 PolarHBondContact O-N 2.93Å; Q196-L198 VanDerWaalsContact C-N 3.34Å; L198-D200 VanDerWaalsContact C-N 3.28Å; L198-D200 PolarHBondContact O-N 3.22Å; L198-A201 PolarHBondContact O-N 2.91Å; L198-A201 VanDerWaalsContact O-N 3.14Å; L198-L202 HydrophobicContact CD1-CD1 3.75Å; L198-L202 HydrophobicContact CD1-CD2 4.41Å; L198-L202 HydrophobicContact CD1-CG 3.83Å; L198-L202 HydrophobicContact CD2-CD1 4.5Å; L198-L202 HydrophobicContact CG-CD1 3.88Å; L198-L202 HydrophobicContact CG-CG 4.27Å; L198-L202 WeakPolarHBondContact O-CB 3.33Å; L198-L202 WeakPolarHBondContact O-CG 3.24Å; L198-L202 PolarHBondContact O-N 3.02Å; L198-L212 HydrophobicContact CD1-CD1 3.85Å; L198-L212 HydrophobicContact CD1-CD2 3.71Å; L198-L212 HydrophobicContact CD1-CG 4.41Å; L198-L212 HydrophobicContact CD2-CD1 4.48Å; L198-I241 HydrophobicContact CD2-CB 3.66Å; L198-I241 HydrophobicContact CD2-CD1 3.96Å; L198-I241 HydrophobicContact CD2-CG1 4.39Å; L198-I241 HydrophobicContact CD2-CG2 3.66Å
199E92.1Very high90.8Very high80 Ų8056.5 Ų56.537%0.37431%0.313SS..Hα-helixtrans-57.5-42.5178.7-73.1174.9-166.800111.6K195 Q196 L202 K203K195-E199 VanDerWaalsContact CE-OE1 3.26Å; K195-E199 WeakPolarHBondContact CE-OE1 3.36Å; K195-E199 WeakPolarHBondContact O-CG 3.37Å; K195-E199 PolarHBondContact O-N 3.41Å; Q196-E199 PolarHBondContact O-N 2.88Å; E199-L202 PolarHBondContact O-N 3.11Å; E199-K203 VanDerWaalsContact O-CG 3.32Å; E199-K203 WeakPolarHBondContact O-CG 3.37Å; E199-K203 PolarHBondContact O-N 3.46Å
200D90.1Very high90.6Very high32 Ų3254.9 Ų54.917%0.17130%0.298CS..Hα-helixtrans-66.7-38.1177.6-67.7-19.7000112.3K166 Q196 L198 K203K166-D200 IonicContact NZ-OD2 3.34Å; Q196-D200 PolarHBondContact NE2-OD1 3.19Å; Q196-D200 VanDerWaalsContact NE2-OD1 3.1Å; Q196-D200 WeakPolarHBondContact O-CB 3.49Å; Q196-D200 VanDerWaalsContact O-CG 3.23Å; Q196-D200 PolarHBondContact O-N 3.5Å; L198-D200 VanDerWaalsContact C-N 3.28Å; L198-D200 PolarHBondContact O-N 3.22Å; D200-K203 IonicContact OD1-NZ 2.77Å; D200-K203 PolarHBondContact OD1-NZ 3.01Å
201A91.4Very high90.6Very high0 Ų055.9 Ų55.90%030%0.302CS..Hα-helixtrans-66.1-40.2174.500000112.5I107 Y173 V179 W197 L198 E204 N205I107-A201 HydrophobicContact CD1-CB 4.12Å; Y173-A201 HydrophobicContact CD2-CB 4.36Å; V179-A201 HydrophobicContact CG1-CB 4.01Å; V179-A201 HydrophobicContact CG2-CB 4.34Å; W197-A201 WeakPolarHBondContact O-CB 3.47Å; W197-A201 PolarHBondContact O-N 2.81Å; L198-A201 PolarHBondContact O-N 2.91Å; L198-A201 VanDerWaalsContact O-N 3.14Å; A201-E204 PolarHBondContact O-N 3.22Å; A201-N205 PolarHBondContact O-ND2 2.87Å
202L91.8Very high90.5Very high40 Ų4056.1 Ų56.121%0.20930%0.303CS..Hα-helixtrans-76.9-20.5-178.4-68.7-176.8000113.5L198 E199 E204 N205 P207L198-L202 HydrophobicContact CD1-CD1 3.75Å; L198-L202 HydrophobicContact CD1-CD2 4.41Å; L198-L202 HydrophobicContact CD1-CG 3.83Å; L198-L202 HydrophobicContact CD2-CD1 4.5Å; L198-L202 HydrophobicContact CG-CD1 3.88Å; L198-L202 HydrophobicContact CG-CG 4.27Å; L198-L202 WeakPolarHBondContact O-CB 3.33Å; L198-L202 WeakPolarHBondContact O-CG 3.24Å; L198-L202 PolarHBondContact O-N 3.02Å; E199-L202 PolarHBondContact O-N 3.11Å; L202-E204 PolarHBondContact O-N 3.47Å; L202-N205 PolarHBondContact O-N 3.2Å; L202-P207 HydrophobicContact CB-CG 4.48Å; L202-P207 HydrophobicContact CD1-CB 4.37Å; L202-P207 HydrophobicContact CD2-CB 4.21Å; L202-P207 HydrophobicContact CD2-CG 4.46Å
203K91Very high90.7Very high137 Ų13753.7 Ų53.760%0.59628%0.277SS*.THydrogen-bonded Turntrans-59.4-28.8171.6-77.1166-164.3162.80112.8E199 D200E199-K203 VanDerWaalsContact O-CG 3.32Å; E199-K203 WeakPolarHBondContact O-CG 3.37Å; E199-K203 PolarHBondContact O-N 3.46Å; D200-K203 IonicContact OD1-NZ 2.77Å; D200-K203 PolarHBondContact OD1-NZ 3.01Å
204E88.4Confident90.8Very high82 Ų8249.1 Ų49.138%0.38326%0.256SS..THydrogen-bonded Turntrans-101.9-0.5-175.8-59.2-60154.300113.5A201 L202A201-E204 PolarHBondContact O-N 3.22Å; L202-E204 PolarHBondContact O-N 3.47Å
205N88.9Confident91.1Very high18 Ų1849.1 Ų49.110%0.09626%0.256CS..SBendtrans-137155.9-174.3-66-69.9000111.7Y173 G175 A176 A201 L202 P207 V210Y173-N205 PolarHBondContact O-ND2 3.4Å; Y173-N205 PolarHBondContact O-OD1 2.94Å; G175-N205 PolarHBondContact N-OD1 2.68Å; A176-N205 PolarHBondContact N-OD1 2.76Å; A201-N205 PolarHBondContact O-ND2 2.87Å; L202-N205 PolarHBondContact O-N 3.2Å; N205-P207 VanDerWaalsContact O-CD 3.25Å; N205-P207 WeakPolarHBondContact O-CD 3.25Å; N205-V210 HydrophobicContact CB-CG2 3.81Å
206D86.6Confident91.3Very high88 Ų8843.5 Ų43.547%0.47123%0.232SC..  trans-76.6113.8172.4175-5.6000109.5T208 S209 V210D206-T208 VanDerWaalsContact CG-OG1 3.28Å; D206-T208 PolarHBondContact O-N 3Å; D206-T208 PolarHBondContact OD1-N 3.33Å; D206-T208 PolarHBondContact OD1-OG1 2.85Å; D206-T208 PolarHBondContact OD2-OG1 3.48Å; D206-S209 WeakPolarHBondContact CB-OG 3.23Å; D206-S209 PolarHBondContact O-N 2.55Å; D206-S209 PolarHBondContact O-OG 3.28Å; D206-V210 WeakPolarHBondContact O-CG2 3.44Å
207P80.8Confident91.6Very high81 Ų8139.6 Ų39.653%0.52621%0.213SC..THydrogen-bonded Turntrans-59-24.4-175.5-22.533.8000114.3L202 N205 S209L202-P207 HydrophobicContact CB-CG 4.48Å; L202-P207 HydrophobicContact CD1-CB 4.37Å; L202-P207 HydrophobicContact CD2-CB 4.21Å; L202-P207 HydrophobicContact CD2-CG 4.46Å; N205-P207 VanDerWaalsContact O-CD 3.25Å; N205-P207 WeakPolarHBondContact O-CD 3.25Å; P207-S209 VanDerWaalsContact C-N 3.28Å; P207-S209 PolarHBondContact O-N 3.22Å
208T80.8Confident91.7Very high128 Ų12842.2 Ų42.279%0.78523%0.225SC*.THydrogen-bonded Turntrans-78.8-15-179.4670000113.2D206D206-T208 VanDerWaalsContact CG-OG1 3.28Å; D206-T208 PolarHBondContact O-N 3Å; D206-T208 PolarHBondContact OD1-N 3.33Å; D206-T208 PolarHBondContact OD1-OG1 2.85Å; D206-T208 PolarHBondContact OD2-OG1 3.48Å
209S82.9Confident91.9Very high65 Ų6543.5 Ų43.546%0.45523%0.23SC..SBendtrans-107.1-3.9-17371.90000114.1D206 P207D206-S209 WeakPolarHBondContact CB-OG 3.23Å; D206-S209 PolarHBondContact O-N 2.55Å; D206-S209 PolarHBondContact O-OG 3.28Å; P207-S209 VanDerWaalsContact C-N 3.28Å; P207-S209 PolarHBondContact O-N 3.22Å
210V92.3Very high92.1Very high16 Ų1642.3 Ų42.310%0.09723%0.226CC..  trans-107.9129.8-171.1179.50000110.6A176 V179 N205 D206 L212A176-V210 WeakPolarHBondContact O-CG2 3.4Å; V179-V210 HydrophobicContact CB-CG1 4.09Å; V179-V210 HydrophobicContact CG2-CG1 3.45Å; V179-V210 VanDerWaalsContact CG2-CG1 3.45Å; N205-V210 HydrophobicContact CB-CG2 3.81Å; D206-V210 WeakPolarHBondContact O-CG2 3.44Å; V210-L212 HydrophobicContact CG1-CD2 3.79Å
211Q94.4Very high92.3Very high23 Ų2346 Ų4611%0.10725%0.245CC..EExtended strand (participates in β ladder)trans-83.7133.2169.9-63.3178.141.500110.7Q177 V178 V179 F213 L266 T270Q177-Q211 PolarHBondContact O-N 3.3Å; V178-Q211 CarbonylContact C-O 3.53Å; V178-Q211 WeakPolarHBondContact CA-O 3.36Å; V178-Q211 HydrophobicContact CG2-CB 4.37Å; V179-Q211 PolarHBondContact N-O 2.79Å; Q211-F213 HydrophobicContact CB-CE2 4.12Å; Q211-L266 PolarHBondContact NE2-O 2.83Å; Q211-T270 VanDerWaalsContact NE2-CB 3.27Å; Q211-T270 PolarHBondContact NE2-OG1 2.83Å
212L96Very high92.4Very high21 Ų2146.9 Ų46.911%0.1125%0.251CS..EExtended strand (participates in β ladder)trans-110.7133.6-176.2-55.9179.4000111.1V179 L198 V210 I241 A243 E244V179-L212 HydrophobicContact CB-CD2 3.83Å; V179-L212 HydrophobicContact CG1-CD2 4.5Å; V179-L212 HydrophobicContact CG2-CD2 4.37Å; L198-L212 HydrophobicContact CD1-CD1 3.85Å; L198-L212 HydrophobicContact CD1-CD2 3.71Å; L198-L212 HydrophobicContact CD1-CG 4.41Å; L198-L212 HydrophobicContact CD2-CD1 4.48Å; V210-L212 HydrophobicContact CG1-CD2 3.79Å; L212-I241 VanDerWaalsContact CD1-O 3.32Å; L212-I241 WeakPolarHBondContact CD1-O 3.41Å; L212-A243 HydrophobicContact CB-CB 3.69Å; L212-A243 VanDerWaalsContact O-CA 3.26Å; L212-A243 WeakPolarHBondContact O-CA 3.3Å; L212-A243 WeakPolarHBondContact O-CB 3.23Å; L212-E244 PolarHBondContact O-N 2.85Å
213F97.6Very high92.5Very high3 Ų347.8 Ų47.81%0.01326%0.261CS..EExtended strand (participates in β ladder)trans-127.9130.6172.9-66.6-93.4000110.1V178 V179 I180 I181 Q211 E244 F259 V263 L266V178-F213 HydrophobicContact CG1-CD2 3.6Å; V178-F213 HydrophobicContact CG1-CE2 3.7Å; V179-F213 PolarHBondContact O-N 3.03Å; I180-F213 HydrophobicContact CG1-CB 4.34Å; I181-F213 WeakPolarHBondContact CD1-O 3.46Å; I181-F213 PolarHBondContact N-O 3.01Å; Q211-F213 HydrophobicContact CB-CE2 4.12Å; F213-E244 CarbonylContact C-O 3.6Å; F213-E244 WeakPolarHBondContact CA-O 3.17Å; F213-E244 HydrophobicContact CD1-CB 3.83Å; F213-E244 HydrophobicContact CD1-CG 4.36Å; F213-E244 HydrophobicContact CE1-CB 3.92Å; F213-E244 HydrophobicContact CE1-CG 4.31Å; F213-F259 HydrophobicContact CB-CE2 3.98Å; F213-F259 HydrophobicContact CB-CZ 4.18Å; F213-F259 AromaticContact CD1-CE2 3.8Å; F213-F259 HydrophobicContact CD1-CE2 3.8Å; F213-F259 HydrophobicContact CG-CE2 4.05Å; F213-F259 HydrophobicContact CG-CZ 4.48Å; F213-V263 HydrophobicContact CD1-CG2 4.15Å; F213-V263 HydrophobicContact CD2-CG2 4.07Å; F213-V263 HydrophobicContact CE1-CG2 3.99Å; F213-V263 HydrophobicContact CE2-CG2 3.92Å; F213-V263 HydrophobicContact CG-CG2 4.18Å; F213-V263 HydrophobicContact CZ-CB 4.48Å; F213-V263 HydrophobicContact CZ-CG2 3.88Å; F213-L266 HydrophobicContact CE1-CD1 4.2Å; F213-L266 HydrophobicContact CZ-CD1 3.83Å
214L98Very high92.5Very high0 Ų046.4 Ų46.40%027%0.266CS..EExtended strand (participates in β ladder)trans-100.9123.9171.5-178.470.3000109I181 F183 L191 A194 A234 F237 A238 A243 E244 Y245 W246I181-L214 HydrophobicContact CB-CD1 4.28Å; I181-L214 HydrophobicContact CG2-CD1 4.36Å; F183-L214 HydrophobicContact CD1-CD1 3.78Å; F183-L214 HydrophobicContact CD1-CG 4.1Å; F183-L214 HydrophobicContact CE1-CD1 4.03Å; F183-L214 HydrophobicContact CE1-CD2 4.11Å; F183-L214 HydrophobicContact CE1-CG 3.83Å; L191-L214 HydrophobicContact CD1-CD1 4.41Å; L191-L214 HydrophobicContact CD1-CD2 4.19Å; A194-L214 HydrophobicContact CB-CD1 4.35Å; L214-A234 HydrophobicContact CD2-CB 4.22Å; L214-A234 WeakPolarHBondContact CD2-O 3.25Å; L214-F237 HydrophobicContact CD1-CD1 4.11Å; L214-F237 HydrophobicContact CD1-CE1 4.07Å; L214-F237 HydrophobicContact CD2-CD1 3.72Å; L214-F237 HydrophobicContact CD2-CE1 4.46Å; L214-A238 HydrophobicContact CB-CB 4.35Å; L214-A238 HydrophobicContact CD2-CB 3.94Å; L214-A243 HydrophobicContact CB-CB 4.36Å; L214-E244 PolarHBondContact N-O 2.98Å; L214-Y245 HydrophobicContact CB-CD2 4.26Å; L214-Y245 HydrophobicContact CD2-CD2 3.89Å; L214-Y245 HydrophobicContact CG-CD2 4.02Å; L214-Y245 CarbonylContact O-C 3.58Å; L214-Y245 WeakPolarHBondContact O-CA 3.24Å; L214-Y245 WeakPolarHBondContact O-CD2 3.25Å; L214-W246 PolarHBondContact O-N 2.82Å
215V98.3Very high92.7Very high0 Ų045.6 Ų45.60%027%0.273CS..EExtended strand (participates in β ladder)trans-122.2112.7-174-175.80000111.3L119 I180 I181 A182 F183 T217 W246 V248 F259L119-V215 HydrophobicContact CD2-CG1 4.04Å; I180-V215 HydrophobicContact CG2-CB 4.29Å; I180-V215 HydrophobicContact CG2-CG2 3.56Å; I181-V215 PolarHBondContact O-N 3.4Å; A182-V215 WeakPolarHBondContact CA-O 3.45Å; F183-V215 WeakPolarHBondContact CD1-O 3.32Å; F183-V215 PolarHBondContact N-O 3.11Å; V215-T217 HydrophobicContact CG1-CG2 4.06Å; V215-W246 CarbonylContact C-O 3.39Å; V215-W246 VanDerWaalsContact CA-O 3.32Å; V215-W246 WeakPolarHBondContact CA-O 3.12Å; V215-V248 HydrophobicContact CG1-CG1 4.16Å; V215-V248 HydrophobicContact CG1-CG2 3.52Å; V215-F259 HydrophobicContact CG2-CD2 4.44Å; V215-F259 HydrophobicContact CG2-CE1 3.81Å; V215-F259 HydrophobicContact CG2-CE2 3.65Å; V215-F259 HydrophobicContact CG2-CZ 3.28Å
216G98Very high92.8Very high0 Ų048.8 Ų48.80%029%0.288CS..EExtended strand (participates in β ladder)trans-81.2112.6168.100000110.5F183 V185 W246 A247 V248F183-G216 VanDerWaalsContact CE1-CA 3.45Å; V185-G216 VanDerWaalsContact CG1-CA 3.49Å; G216-W246 PolarHBondContact N-O 2.89Å; G216-A247 CarbonylContact O-C 3.58Å; G216-A247 WeakPolarHBondContact O-CA 3.34Å; G216-V248 PolarHBondContact O-N 3.47Å
217T97.9Very high93.2Very high1 Ų145.5 Ų45.51%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-98.6166.3-178.559.80000111.8V114 A182 F183 V185 V215 K219 V248V114-T217 PolarHBondContact O-OG1 2.82Å; A182-T217 HydrophobicContact CB-CG2 4.34Å; F183-T217 PolarHBondContact O-N 3.1Å; F183-T217 PolarHBondContact O-OG1 2.96Å; V185-T217 WeakPolarHBondContact CG2-O 3.2Å; V185-T217 PolarHBondContact N-O 3.38Å; V215-T217 HydrophobicContact CG1-CG2 4.06Å; T217-K219 VanDerWaalsContact C-N 3.31Å; T217-K219 PolarHBondContact O-N 2.87Å; T217-V248 CarbonylContact C-O 3.44Å; T217-V248 HydrophobicContact CG2-CG2 4.05Å
218K96.8Very high93.8Very high58 Ų5844.4 Ų44.425%0.25226%0.263SS..  trans60.135.4-179.6-47.3-172-157.9160.90114.2A113 V114 D184 N186 D220 L221 V248A113-K218 VanDerWaalsContact O-CE 3.24Å; A113-K218 WeakPolarHBondContact O-CE 3.35Å; A113-K218 PolarHBondContact O-NZ 3.45Å; V114-K218 WeakPolarHBondContact O-CE 3.42Å; D184-K218 VanDerWaalsContact OD2-CD 3.29Å; D184-K218 WeakPolarHBondContact OD2-CD 3.26Å; D184-K218 VanDerWaalsContact OD2-CE 3.25Å; D184-K218 WeakPolarHBondContact OD2-CE 3.42Å; D184-K218 IonicContact OD2-NZ 2.77Å; D184-K218 PolarHBondContact OD2-NZ 2.85Å; N186-K218 PolarHBondContact ND2-O 3.03Å; N186-K218 VanDerWaalsContact ND2-O 3.12Å; K218-D220 WeakPolarHBondContact CA-OD1 3.24Å; K218-D220 PolarHBondContact O-N 2.78Å; K218-D220 VanDerWaalsContact O-N 3.15Å; K218-L221 HydrophobicContact CB-CD1 4.12Å; K218-L221 HydrophobicContact CB-CG 4.37Å; K218-L221 HydrophobicContact CD-CD1 4.06Å; K218-L221 PolarHBondContact O-N 2.76Å; K218-V248 PolarHBondContact N-O 3Å
219K96.2Very high94.4Very high41 Ų4147.3 Ų47.318%0.17826%0.259CS..G310 helixtrans-53.8-32.6176.2-174-176176.7-169.50112.8T217 L221 S222 Y227 A247 V248 E254T217-K219 VanDerWaalsContact C-N 3.31Å; T217-K219 PolarHBondContact O-N 2.87Å; K219-L221 PolarHBondContact O-N 2.88Å; K219-S222 PolarHBondContact O-N 3.3Å; K219-S222 VanDerWaalsContact O-N 3.15Å; K219-Y227 HydrophobicContact CD-CE2 4.18Å; K219-Y227 HydrophobicContact CG-CD2 4.09Å; K219-Y227 HydrophobicContact CG-CE2 3.96Å; K219-A247 HydrophobicContact CD-CB 4.04Å; K219-V248 WeakPolarHBondContact CB-O 3.5Å; K219-V248 PolarHBondContact N-O 3.14Å; K219-E254 IonicContact NZ-OE1 2.94Å; K219-E254 PolarHBondContact NZ-OE1 3.1Å
220D95.7Very high95Very high54 Ų5444.6 Ų44.629%0.28924%0.24SC..G310 helixtrans-59.9-22.8178.355.1-74.4000114.7K218 S249 L251 T252K218-D220 WeakPolarHBondContact CA-OD1 3.24Å; K218-D220 PolarHBondContact O-N 2.78Å; K218-D220 VanDerWaalsContact O-N 3.15Å; D220-S249 WeakPolarHBondContact CB-OG 3.46Å; D220-S249 VanDerWaalsContact OD1-CB 3.26Å; D220-S249 WeakPolarHBondContact OD1-CB 3.37Å; D220-S249 PolarHBondContact OD1-OG 2.73Å; D220-L251 VanDerWaalsContact OD2-CD2 3.24Å; D220-L251 WeakPolarHBondContact OD2-CD2 3.47Å; D220-T252 HydrophobicContact CB-CG2 3.93Å
221L94.9Very high95.1Very high111 Ų11144.2 Ų44.258%0.58124%0.237SC*.G310 helixtrans-89.9-15.2179.9-57.3-178.3000113.1K218 K219K218-L221 HydrophobicContact CB-CD1 4.12Å; K218-L221 HydrophobicContact CB-CG 4.37Å; K218-L221 HydrophobicContact CD-CD1 4.06Å; K218-L221 PolarHBondContact O-N 2.76Å; K219-L221 PolarHBondContact O-N 2.88Å
222S92.4Very high95Very high18 Ų1849.1 Ų49.113%0.12626%0.26CS..SBendtrans-87135.2-177.4-74.60000112.1V185 N186 K219V185-S222 WeakPolarHBondContact CG2-OG 3.47Å; N186-S222 WeakPolarHBondContact OD1-CA 3.43Å; N186-S222 PolarHBondContact OD1-N 2.61Å; N186-S222 PolarHBondContact OD1-OG 3.29Å; K219-S222 PolarHBondContact O-N 3.3Å; K219-S222 VanDerWaalsContact O-N 3.15Å
223S94.4Very high95Very high58 Ų5852.4 Ų52.441%0.40628%0.277SS..  trans-65.6153.2164.570.20000110.6A225 Q226 Y227S223-A225 PolarHBondContact O-N 3.26Å; S223-Q226 PolarHBondContact O-N 3.49Å; S223-Q226 VanDerWaalsContact O-N 3.13Å; S223-Q226 WeakPolarHBondContact OG-CB 3.33Å; S223-Q226 PolarHBondContact OG-N 3.07Å; S223-Y227 WeakPolarHBondContact O-CB 3.26Å; S223-Y227 PolarHBondContact O-N 3Å
224P92.4Very high94.9Very high108 Ų10852.2 Ų52.270%0.70128%0.277SS*.Hα-helixtrans-54.4-39178.1-28.435.7000113.5S228P224-S228 WeakPolarHBondContact O-CB 3.48Å; P224-S228 PolarHBondContact O-N 2.95Å; P224-S228 PolarHBondContact O-OG 3.22Å
225A92.1Very high94.7Very high65 Ų6553.3 Ų53.354%0.53728%0.282SS..Hα-helixtrans-67.9-4217900000112.9S223S223-A225 PolarHBondContact O-N 3.26Å
226Q90.8Very high94.5Very high86 Ų8658.9 Ų58.940%0.40231%0.306SS..Hα-helixtrans-68.2-45.9176.7-178.5178.9-0.400111.1S223 S228 R229 I230S223-Q226 PolarHBondContact O-N 3.49Å; S223-Q226 VanDerWaalsContact O-N 3.13Å; S223-Q226 WeakPolarHBondContact OG-CB 3.33Å; S223-Q226 PolarHBondContact OG-N 3.07Å; Q226-S228 VanDerWaalsContact C-N 3.28Å; Q226-S228 PolarHBondContact O-N 3.46Å; Q226-R229 PolarHBondContact O-N 3.32Å; Q226-I230 PolarHBondContact O-N 2.73Å
227Y94.6Very high94.4Very high19 Ų1960 Ų608%0.07531%0.311CS..Hα-helixtrans-57.5-42.5177.6177.1-103000111.6V185 K219 S223 R229 I230 E231 A247V185-Y227 HydrophobicContact CG1-CE2 4.45Å; K219-Y227 HydrophobicContact CD-CE2 4.18Å; K219-Y227 HydrophobicContact CG-CD2 4.09Å; K219-Y227 HydrophobicContact CG-CE2 3.96Å; S223-Y227 WeakPolarHBondContact O-CB 3.26Å; S223-Y227 PolarHBondContact O-N 3Å; Y227-R229 PolarHBondContact O-N 3.13Å; Y227-I230 HydrophobicContact CD2-CG2 4.5Å; Y227-I230 VanDerWaalsContact O-CG2 3.26Å; Y227-I230 WeakPolarHBondContact O-CG2 3.4Å; Y227-I230 PolarHBondContact O-N 2.95Å; Y227-E231 HydrophobicContact CE1-CB 4.19Å; Y227-E231 VanDerWaalsContact CE1-CD 3.42Å; Y227-E231 HydrophobicContact CE1-CG 4.24Å; Y227-E231 VanDerWaalsContact CE1-OE1 3.25Å; Y227-E231 WeakPolarHBondContact CE1-OE1 2.99Å; Y227-E231 VanDerWaalsContact CZ-OE1 3.25Å; Y227-E231 WeakPolarHBondContact O-CB 3.41Å; Y227-E231 PolarHBondContact O-N 3.43Å; Y227-E231 PolarHBondContact OH-OE1 2.85Å; Y227-A247 HydrophobicContact CE2-CB 3.69Å; Y227-A247 WeakPolarHBondContact OH-CB 3.2Å
228S93.7Very high94.3Very high57 Ų5760.1 Ų60.140%0.39931%0.312SS..Hα-helixtrans-61.5-31.8-178.9-59.90000113P224 Q226 Q232P224-S228 WeakPolarHBondContact O-CB 3.48Å; P224-S228 PolarHBondContact O-N 2.95Å; P224-S228 PolarHBondContact O-OG 3.22Å; Q226-S228 VanDerWaalsContact C-N 3.28Å; Q226-S228 PolarHBondContact O-N 3.46Å; S228-Q232 WeakPolarHBondContact O-CG 3.27Å
229R92.8Very high94.1Very high189 Ų18963.7 Ų63.771%0.71332%0.324SS*.Hα-helixtrans-74.1-53.3178.1-65.2175.4-175.2-1760.7111.2Q226 Y227 E231 Q232 D233Q226-R229 PolarHBondContact O-N 3.32Å; Y227-R229 PolarHBondContact O-N 3.13Å; R229-E231 VanDerWaalsContact C-N 3.25Å; R229-E231 PolarHBondContact O-N 3.43Å; R229-Q232 PolarHBondContact O-N 3.14Å; R229-D233 PolarHBondContact O-N 3.29Å
230I95.3Very high93.9Very high9 Ų967.3 Ų67.35%0.04634%0.342CS..Hα-helixtrans-65.3-31.3-179.3-169.164.9000112F183 V185 I188 L191 Q226 Y227 Q232 D233 A234F183-I230 HydrophobicContact CE2-CG1 4.05Å; V185-I230 HydrophobicContact CB-CG2 4.08Å; V185-I230 WeakPolarHBondContact O-CG2 3.38Å; I188-I230 HydrophobicContact CG1-CD1 4.15Å; L191-I230 HydrophobicContact CD2-CD1 3.79Å; Q226-I230 PolarHBondContact O-N 2.73Å; Y227-I230 HydrophobicContact CD2-CG2 4.5Å; Y227-I230 VanDerWaalsContact O-CG2 3.26Å; Y227-I230 WeakPolarHBondContact O-CG2 3.4Å; Y227-I230 PolarHBondContact O-N 2.95Å; I230-Q232 VanDerWaalsContact C-N 3.33Å; I230-Q232 PolarHBondContact O-N 3.01Å; I230-D233 PolarHBondContact O-N 3.13Å; I230-A234 VanDerWaalsContact O-CB 3.28Å; I230-A234 WeakPolarHBondContact O-CB 3.41Å; I230-A234 PolarHBondContact O-N 3.31Å
231E94.3Very high93.8Very high8 Ų866 Ų664%0.03733%0.334CS..Hα-helixtrans-63-39.5176.5-174.8178.4-127.400111.6R72 Y227 R229 A234 M235 Y245R72-E231 IonicContact CZ-OE1 3.81Å; R72-E231 IonicContact CZ-OE2 3.13Å; R72-E231 IonicContact NE-OE1 3.87Å; R72-E231 IonicContact NH1-OE1 2.73Å; R72-E231 PolarHBondContact NH1-OE1 3.07Å; R72-E231 IonicContact NH1-OE2 3.39Å; R72-E231 PolarHBondContact NH1-OE2 2.92Å; R72-E231 IonicContact NH2-OE1 2.66Å; R72-E231 PolarHBondContact NH2-OE1 3.37Å; R72-E231 IonicContact NH2-OE2 2.64Å; R72-E231 PolarHBondContact NH2-OE2 3.04Å; Y227-E231 HydrophobicContact CE1-CB 4.19Å; Y227-E231 VanDerWaalsContact CE1-CD 3.42Å; Y227-E231 HydrophobicContact CE1-CG 4.24Å; Y227-E231 VanDerWaalsContact CE1-OE1 3.25Å; Y227-E231 WeakPolarHBondContact CE1-OE1 2.99Å; Y227-E231 VanDerWaalsContact CZ-OE1 3.25Å; Y227-E231 WeakPolarHBondContact O-CB 3.41Å; Y227-E231 PolarHBondContact O-N 3.43Å; Y227-E231 PolarHBondContact OH-OE1 2.85Å; R229-E231 VanDerWaalsContact C-N 3.25Å; R229-E231 PolarHBondContact O-N 3.43Å; E231-A234 PolarHBondContact O-N 2.86Å; E231-M235 HydrophobicContact CG-CE 4.06Å; E231-M235 HydrophobicContact CG-CG 4.48Å; E231-M235 HydrophobicContact CG-SD 4.45Å; E231-M235 WeakPolarHBondContact O-CB 2.93Å; E231-M235 VanDerWaalsContact O-CG 3.27Å; E231-M235 WeakPolarHBondContact O-CG 3.41Å; E231-M235 PolarHBondContact O-N 2.61Å; E231-Y245 HydrophobicContact CG-CE1 3.96Å
232Q93.9Very high93.6Very high125 Ų12567 Ų6758%0.58434%0.336SS*.Hα-helixtrans-63.7-44.9176.8-72.1176.40.200111.8S228 R229 I230 M235 K236S228-Q232 WeakPolarHBondContact O-CG 3.27Å; R229-Q232 PolarHBondContact O-N 3.14Å; I230-Q232 VanDerWaalsContact C-N 3.33Å; I230-Q232 PolarHBondContact O-N 3.01Å; Q232-M235 HydrophobicContact CG-CE 4.43Å; Q232-M235 PolarHBondContact O-N 3.12Å; Q232-K236 PolarHBondContact O-N 3.21Å
233D94.9Very high93.7Very high90 Ų9066.3 Ų66.348%0.48133%0.331SS..Hα-helixtrans-65.3-43.5177.7-67.6-28.7000111.3L191 R229 I230 K236 F237L191-D233 HydrophobicContact CD2-CB 4.08Å; R229-D233 PolarHBondContact O-N 3.29Å; I230-D233 PolarHBondContact O-N 3.13Å; D233-K236 PolarHBondContact O-N 3.23Å; D233-F237 WeakPolarHBondContact O-CB 3.36Å; D233-F237 PolarHBondContact O-N 3.15Å
234A95.6Very high93.7Very high0 Ų063.7 Ų63.70%031%0.312CS..Hα-helixtrans-63.8-42.1177.200000112.2F183 L191 L214 I230 E231 K236 F237 A238 Y245F183-A234 HydrophobicContact CE1-CB 4.14Å; F183-A234 HydrophobicContact CE2-CB 4.49Å; F183-A234 HydrophobicContact CZ-CB 3.59Å; L191-A234 HydrophobicContact CD1-CB 4.41Å; L191-A234 HydrophobicContact CD2-CB 4.26Å; L214-A234 HydrophobicContact CD2-CB 4.22Å; L214-A234 WeakPolarHBondContact CD2-O 3.25Å; I230-A234 VanDerWaalsContact O-CB 3.28Å; I230-A234 WeakPolarHBondContact O-CB 3.41Å; I230-A234 PolarHBondContact O-N 3.31Å; E231-A234 PolarHBondContact O-N 2.86Å; A234-K236 VanDerWaalsContact C-N 3.34Å; A234-K236 PolarHBondContact O-N 3.48Å; A234-F237 PolarHBondContact O-N 3.15Å; A234-A238 VanDerWaalsContact O-CB 3.26Å; A234-A238 WeakPolarHBondContact O-CB 3.49Å; A234-A238 PolarHBondContact O-N 3.19Å; A234-Y245 HydrophobicContact CB-CD2 4Å; A234-Y245 HydrophobicContact CB-CE2 3.54Å
235M94.4Very high93.9Very high22 Ų2258.6 Ų58.611%0.10828%0.279CS..Hα-helixtrans-64.5-37.9174.8-76.2-172.2-62.200112.1E231 Q232 R239 Y245E231-M235 HydrophobicContact CG-CE 4.06Å; E231-M235 HydrophobicContact CG-CG 4.48Å; E231-M235 HydrophobicContact CG-SD 4.45Å; E231-M235 WeakPolarHBondContact O-CB 2.93Å; E231-M235 VanDerWaalsContact O-CG 3.27Å; E231-M235 WeakPolarHBondContact O-CG 3.41Å; E231-M235 PolarHBondContact O-N 2.61Å; Q232-M235 HydrophobicContact CG-CE 4.43Å; Q232-M235 PolarHBondContact O-N 3.12Å; M235-R239 WeakPolarHBondContact O-CG 3.45Å; M235-R239 PolarHBondContact O-N 3.36Å; M235-R239 VanDerWaalsContact O-N 3.13Å; M235-Y245 HydrophobicContact CG-CD1 3.95Å; M235-Y245 HydrophobicContact CG-CE1 4.44Å
236K94.4Very high94.2Very high118 Ų11855.7 Ų55.751%0.51325%0.254SS..Hα-helixtrans-63.1-50174.7-176.5-175.4173.7-170.80110.5Q232 D233 A234 A238 R239 E240Q232-K236 PolarHBondContact O-N 3.21Å; D233-K236 PolarHBondContact O-N 3.23Å; A234-K236 VanDerWaalsContact C-N 3.34Å; A234-K236 PolarHBondContact O-N 3.48Å; K236-A238 PolarHBondContact O-N 3.12Å; K236-R239 PolarHBondContact O-N 2.9Å; K236-E240 VanDerWaalsContact CE-OE1 3.26Å; K236-E240 WeakPolarHBondContact CE-OE1 3.32Å; K236-E240 WeakPolarHBondContact O-CG 2.97Å; K236-E240 PolarHBondContact O-N 2.72Å; K236-E240 VanDerWaalsContact O-N 3.12Å
237F95.1Very high94.5Very high24 Ų2451.6 Ų51.611%0.10524%0.235CC..Hα-helixtrans-60.5-44.5178.1-179.7-118000112L191 A194 K195 L214 D233 A234 R239 E240 I241L191-F237 HydrophobicContact CD1-CD1 3.84Å; L191-F237 HydrophobicContact CD1-CG 4.48Å; A194-F237 HydrophobicContact CB-CE1 3.68Å; A194-F237 HydrophobicContact CB-CZ 4.2Å; K195-F237 HydrophobicContact CB-CE2 3.97Å; K195-F237 HydrophobicContact CB-CZ 3.88Å; K195-F237 HydrophobicContact CG-CE2 4.45Å; L214-F237 HydrophobicContact CD1-CD1 4.11Å; L214-F237 HydrophobicContact CD1-CE1 4.07Å; L214-F237 HydrophobicContact CD2-CD1 3.72Å; L214-F237 HydrophobicContact CD2-CE1 4.46Å; D233-F237 WeakPolarHBondContact O-CB 3.36Å; D233-F237 PolarHBondContact O-N 3.15Å; A234-F237 PolarHBondContact O-N 3.15Å; F237-R239 VanDerWaalsContact C-N 3.3Å; F237-R239 PolarHBondContact O-N 3.19Å; F237-E240 WeakPolarHBondContact O-CB 3.37Å; F237-E240 PolarHBondContact O-N 3.07Å; F237-I241 HydrophobicContact CD1-CD1 4.4Å; F237-I241 HydrophobicContact CD2-CG2 4.2Å; F237-I241 HydrophobicContact CE1-CD1 3.87Å; F237-I241 HydrophobicContact CE1-CG2 4.42Å; F237-I241 HydrophobicContact CE2-CG2 3.61Å; F237-I241 HydrophobicContact CZ-CD1 4.14Å; F237-I241 HydrophobicContact CZ-CG2 3.73Å; F237-I241 WeakPolarHBondContact O-CG1 3.34Å; F237-I241 PolarHBondContact O-N 3.43Å
238A95Very high94.6Very high2 Ų250.7 Ų50.72%0.01723%0.232CC..Hα-helixtrans-57.8-40.717700000112.6L214 A234 K236 I241 H242 A243L214-A238 HydrophobicContact CB-CB 4.35Å; L214-A238 HydrophobicContact CD2-CB 3.94Å; A234-A238 VanDerWaalsContact O-CB 3.26Å; A234-A238 WeakPolarHBondContact O-CB 3.49Å; A234-A238 PolarHBondContact O-N 3.19Å; K236-A238 PolarHBondContact O-N 3.12Å; A238-I241 PolarHBondContact O-N 3.06Å; A238-H242 PolarHBondContact O-N 2.81Å; A238-H242 VanDerWaalsContact O-N 3.1Å; A238-A243 PolarHBondContact O-N 2.72Å
239R93Very high94.8Very high133 Ų13348 Ų4850%0.50221%0.213SC..Hα-helixtrans-64.3-41.1173.9-74.6-173.2-65.3-93.70.3112.5M235 K236 F237 I241 H242M235-R239 WeakPolarHBondContact O-CG 3.45Å; M235-R239 PolarHBondContact O-N 3.36Å; M235-R239 VanDerWaalsContact O-N 3.13Å; K236-R239 PolarHBondContact O-N 2.9Å; F237-R239 VanDerWaalsContact C-N 3.3Å; F237-R239 PolarHBondContact O-N 3.19Å; R239-I241 VanDerWaalsContact C-N 3.32Å; R239-I241 PolarHBondContact O-N 2.82Å; R239-H242 PolarHBondContact O-N 2.7Å
240E92.9Very high95Very high118 Ų11839.3 Ų39.355%0.55118%0.181SC*.Hα-helixtrans-63-38179.1-70.2171.5-171.800112.3K236 F237K236-E240 VanDerWaalsContact CE-OE1 3.26Å; K236-E240 WeakPolarHBondContact CE-OE1 3.32Å; K236-E240 WeakPolarHBondContact O-CG 2.97Å; K236-E240 PolarHBondContact O-N 2.72Å; K236-E240 VanDerWaalsContact O-N 3.12Å; F237-E240 WeakPolarHBondContact O-CB 3.37Å; F237-E240 PolarHBondContact O-N 3.07Å
241I92.2Very high95.1Very high26 Ų2642 Ų4213%0.13320%0.195CC..THydrogen-bonded Turntrans-93.14-179.567.3166.7000113.7L198 L212 F237 A238 R239 A243L198-I241 HydrophobicContact CD2-CB 3.66Å; L198-I241 HydrophobicContact CD2-CD1 3.96Å; L198-I241 HydrophobicContact CD2-CG1 4.39Å; L198-I241 HydrophobicContact CD2-CG2 3.66Å; L212-I241 VanDerWaalsContact CD1-O 3.32Å; L212-I241 WeakPolarHBondContact CD1-O 3.41Å; F237-I241 HydrophobicContact CD1-CD1 4.4Å; F237-I241 HydrophobicContact CD2-CG2 4.2Å; F237-I241 HydrophobicContact CE1-CD1 3.87Å; F237-I241 HydrophobicContact CE1-CG2 4.42Å; F237-I241 HydrophobicContact CE2-CG2 3.61Å; F237-I241 HydrophobicContact CZ-CD1 4.14Å; F237-I241 HydrophobicContact CZ-CG2 3.73Å; F237-I241 WeakPolarHBondContact O-CG1 3.34Å; F237-I241 PolarHBondContact O-N 3.43Å; A238-I241 PolarHBondContact O-N 3.06Å; R239-I241 VanDerWaalsContact C-N 3.32Å; R239-I241 PolarHBondContact O-N 2.82Å; I241-A243 HydrophobicContact CD1-CB 3.59Å; I241-A243 HydrophobicContact CG1-CB 3.63Å; I241-A243 PolarHBondContact O-N 2.9Å
242H92.5Very high95.2Very high133 Ų13345.8 Ų45.862%0.61622%0.219SC*.THydrogen-bonded Turntrans49.556.2-171.3-57.1-74.1000112.2L77 A238 R239L77-H242 HydrophobicContact CD1-CB 4.2Å; L77-H242 WeakPolarHBondContact CD1-O 3.32Å; A238-H242 PolarHBondContact O-N 2.81Å; A238-H242 VanDerWaalsContact O-N 3.1Å; R239-H242 PolarHBondContact O-N 2.7Å
243A94.1Very high95.2Very high3 Ų341 Ų413%0.02520%0.203CC..  trans-117.6150.417300000111.6L212 L214 A238 I241L212-A243 HydrophobicContact CB-CB 3.69Å; L212-A243 VanDerWaalsContact O-CA 3.26Å; L212-A243 WeakPolarHBondContact O-CA 3.3Å; L212-A243 WeakPolarHBondContact O-CB 3.23Å; L214-A243 HydrophobicContact CB-CB 4.36Å; A238-A243 PolarHBondContact O-N 2.72Å; I241-A243 HydrophobicContact CD1-CB 3.59Å; I241-A243 HydrophobicContact CG1-CB 3.63Å; I241-A243 PolarHBondContact O-N 2.9Å
244E94.6Very high95.3Very high3 Ų340.4 Ų40.41%0.01420%0.197CC..EExtended strand (participates in β ladder)trans-82.2129.1168.4-176.2168.5130.500109.7A75 L212 F213 L214 W246 R262A75-E244 WeakPolarHBondContact O-CA 3.4Å; L212-E244 PolarHBondContact O-N 2.85Å; F213-E244 CarbonylContact C-O 3.6Å; F213-E244 WeakPolarHBondContact CA-O 3.17Å; F213-E244 HydrophobicContact CD1-CB 3.83Å; F213-E244 HydrophobicContact CD1-CG 4.36Å; F213-E244 HydrophobicContact CE1-CB 3.92Å; F213-E244 HydrophobicContact CE1-CG 4.31Å; L214-E244 PolarHBondContact N-O 2.98Å; E244-W246 PolarHBondContact OE1-NE1 2.84Å; E244-R262 VanDerWaalsContact OE1-CG 3.31Å; E244-R262 WeakPolarHBondContact OE1-CG 3.44Å; E244-R262 IonicContact OE1-CZ 3.85Å; E244-R262 IonicContact OE1-NE 3.12Å; E244-R262 PolarHBondContact OE1-NE 2.81Å; E244-R262 IonicContact OE1-NH2 3.72Å; E244-R262 IonicContact OE2-CZ 3.36Å; E244-R262 IonicContact OE2-NE 3.63Å; E244-R262 PolarHBondContact OE2-NE 3.46Å; E244-R262 IonicContact OE2-NH2 3.59Å; E244-R262 PolarHBondContact OE2-NH2 3.33Å
245Y96.4Very high95.3Very high0 Ų041.9 Ų41.90%021%0.206CC..EExtended strand (participates in β ladder)trans-95.7136.2-177.7171.6-104.3000113F71 A75 F183 L214 E231 A234 M235 A247F71-Y245 HydrophobicContact CD1-CD1 4.35Å; F71-Y245 HydrophobicContact CD1-CE1 4.39Å; F71-Y245 HydrophobicContact CE1-CE1 4.21Å; A75-Y245 HydrophobicContact CB-CD1 4.47Å; A75-Y245 PolarHBondContact O-N 2.93Å; F183-Y245 HydrophobicContact CE1-CD2 4.47Å; F183-Y245 AromaticContact CE1-CE2 3.81Å; F183-Y245 HydrophobicContact CE1-CE2 3.81Å; F183-Y245 AromaticContact CZ-CE2 3.88Å; F183-Y245 HydrophobicContact CZ-CE2 3.88Å; L214-Y245 HydrophobicContact CB-CD2 4.26Å; L214-Y245 HydrophobicContact CD2-CD2 3.89Å; L214-Y245 HydrophobicContact CG-CD2 4.02Å; L214-Y245 CarbonylContact O-C 3.58Å; L214-Y245 WeakPolarHBondContact O-CA 3.24Å; L214-Y245 WeakPolarHBondContact O-CD2 3.25Å; E231-Y245 HydrophobicContact CG-CE1 3.96Å; A234-Y245 HydrophobicContact CB-CD2 4Å; A234-Y245 HydrophobicContact CB-CE2 3.54Å; M235-Y245 HydrophobicContact CG-CD1 3.95Å; M235-Y245 HydrophobicContact CG-CE1 4.44Å; Y245-A247 HydrophobicContact CE1-CB 4.4Å
246W97.4Very high95.5Very high5 Ų541 Ų412%0.01920%0.201CC..EExtended strand (participates in β ladder)trans-134.8141175.6-77.174.7000111.5Q69 F71 L214 V215 G216 E244 V248 N255 E258 F259 R262Q69-W246 WeakPolarHBondContact O-CH2 3.29Å; Q69-W246 WeakPolarHBondContact O-CZ2 3.38Å; F71-W246 HydrophobicContact CB-CD2 3.66Å; F71-W246 HydrophobicContact CB-CE3 3.8Å; F71-W246 HydrophobicContact CB-CG 4.07Å; F71-W246 HydrophobicContact CB-CH2 4.36Å; F71-W246 HydrophobicContact CB-CZ2 4.25Å; F71-W246 HydrophobicContact CB-CZ3 4.15Å; F71-W246 HydrophobicContact CD2-CE3 4.25Å; F71-W246 HydrophobicContact CD2-CZ3 4.49Å; F71-W246 HydrophobicContact CG-CD2 4.46Å; F71-W246 HydrophobicContact CG-CE3 4.3Å; L214-W246 PolarHBondContact O-N 2.82Å; V215-W246 CarbonylContact C-O 3.39Å; V215-W246 VanDerWaalsContact CA-O 3.32Å; V215-W246 WeakPolarHBondContact CA-O 3.12Å; G216-W246 PolarHBondContact N-O 2.89Å; E244-W246 PolarHBondContact OE1-NE1 2.84Å; W246-V248 HydrophobicContact CB-CG1 4.48Å; W246-N255 HydrophobicContact CE3-CB 4.31Å; W246-N255 HydrophobicContact CZ3-CB 4.4Å; W246-E258 HydrophobicContact CH2-CB 4.03Å; W246-E258 HydrophobicContact CZ3-CB 3.82Å; W246-F259 HydrophobicContact CB-CD2 3.82Å; W246-F259 HydrophobicContact CB-CE2 4.28Å; W246-F259 HydrophobicContact CB-CG 4.45Å; W246-F259 AromaticContact CD1-CD2 3.65Å; W246-F259 AromaticContact CD1-CE2 3.99Å; W246-F259 HydrophobicContact CD2-CB 3.95Å; W246-F259 AromaticContact CD2-CD2 3.63Å; W246-F259 HydrophobicContact CD2-CD2 3.63Å; W246-F259 HydrophobicContact CD2-CG 4.23Å; W246-F259 HydrophobicContact CE3-CB 3.65Å; W246-F259 HydrophobicContact CE3-CD2 4.24Å; W246-F259 HydrophobicContact CE3-CG 4.4Å; W246-F259 HydrophobicContact CG-CB 4.44Å; W246-F259 AromaticContact CG-CD2 3.4Å; W246-F259 HydrophobicContact CG-CD2 3.4Å; W246-F259 VanDerWaalsContact CG-CD2 3.4Å; W246-F259 HydrophobicContact CG-CE2 4.04Å; W246-F259 HydrophobicContact CG-CG 4.26Å; W246-F259 HydrophobicContact CZ3-CB 4.09Å; W246-R262 HydrophobicContact CH2-CB 4.35Å; W246-R262 HydrophobicContact CZ2-CB 3.74Å; W246-R262 HydrophobicContact CZ2-CG 3.77Å
247A97Very high95.5Very high0 Ų039.7 Ų39.70%020%0.196CC..EExtended strand (participates in β ladder)trans-112.6128.2168.300000110.9F71 G216 K219 Y227 Y245 N255F71-A247 HydrophobicContact CE1-CB 3.88Å; F71-A247 HydrophobicContact CZ-CB 3.86Å; G216-A247 CarbonylContact O-C 3.58Å; G216-A247 WeakPolarHBondContact O-CA 3.34Å; K219-A247 HydrophobicContact CD-CB 4.04Å; Y227-A247 HydrophobicContact CE2-CB 3.69Å; Y227-A247 WeakPolarHBondContact OH-CB 3.2Å; Y245-A247 HydrophobicContact CE1-CB 4.4Å; A247-N255 WeakPolarHBondContact O-CB 3.48Å; A247-N255 PolarHBondContact O-ND2 3.05Å
248V97.9Very high95.5Very high0 Ų043 Ų430%021%0.212CC..  trans-135.2157.9-169.9-55.80000111.9L119 V215 G216 T217 K218 K219 W246 E254 N255 V256 F259L119-V248 HydrophobicContact CD1-CG2 3.85Å; V215-V248 HydrophobicContact CG1-CG1 4.16Å; V215-V248 HydrophobicContact CG1-CG2 3.52Å; G216-V248 PolarHBondContact O-N 3.47Å; T217-V248 CarbonylContact C-O 3.44Å; T217-V248 HydrophobicContact CG2-CG2 4.05Å; K218-V248 PolarHBondContact N-O 3Å; K219-V248 WeakPolarHBondContact CB-O 3.5Å; K219-V248 PolarHBondContact N-O 3.14Å; W246-V248 HydrophobicContact CB-CG1 4.48Å; V248-E254 WeakPolarHBondContact CA-O 3.35Å; V248-N255 HydrophobicContact CG1-CB 4.05Å; V248-V256 HydrophobicContact CB-CG2 4.16Å; V248-F259 HydrophobicContact CG1-CB 4.29Å
249S97.7Very high95.6Very high0 Ų043 Ų430%021%0.211CC..  trans-126.8115.4165.6174.30000110.5D220 L251 T252 G253 E254 V256D220-S249 WeakPolarHBondContact CB-OG 3.46Å; D220-S249 VanDerWaalsContact OD1-CB 3.26Å; D220-S249 WeakPolarHBondContact OD1-CB 3.37Å; D220-S249 PolarHBondContact OD1-OG 2.73Å; S249-L251 PolarHBondContact O-N 3Å; S249-L251 PolarHBondContact OG-N 3.35Å; S249-T252 WeakPolarHBondContact CB-OG1 3.32Å; S249-T252 PolarHBondContact OG-N 3.45Å; S249-T252 VanDerWaalsContact OG-N 3.12Å; S249-T252 PolarHBondContact OG-OG1 2.95Å; S249-G253 CarbonylContact O-C 3.56Å; S249-G253 WeakPolarHBondContact O-CA 3.3Å; S249-G253 PolarHBondContact O-N 3.37Å; S249-E254 PolarHBondContact N-O 3.34Å; S249-E254 PolarHBondContact O-N 2.88Å; S249-V256 WeakPolarHBondContact O-CG2 3.07Å
250S97.2Very high95.8Very high7 Ų736.6 Ų36.65%0.04919%0.187CC..THydrogen-bonded Turntrans-71.3-21.6171.6-48.10000112.5L119 R122 F128L119-S250 VanDerWaalsContact CA-OG 3.29Å; L119-S250 WeakPolarHBondContact CA-OG 3.3Å; L119-S250 PolarHBondContact N-OG 3.26Å; R122-S250 PolarHBondContact NE-O 2.97Å; R122-S250 PolarHBondContact NH2-O 2.95Å; F128-S250 WeakPolarHBondContact CD2-O 3.2Å
251L96.1Very high96Very high66 Ų6632.2 Ų32.235%0.34617%0.166SC..THydrogen-bonded Turntrans-70.5-56.6176.6173.763.4000110.2R122 F128 D220 S249R122-L251 PolarHBondContact NH2-O 3.2Å; F128-L251 HydrophobicContact CD1-CD1 3.64Å; F128-L251 HydrophobicContact CE1-CB 4.27Å; F128-L251 HydrophobicContact CE1-CD1 3.38Å; F128-L251 HydrophobicContact CE1-CG 4.39Å; F128-L251 HydrophobicContact CE2-CB 4.28Å; F128-L251 HydrophobicContact CG-CD1 4.44Å; F128-L251 HydrophobicContact CZ-CB 4.06Å; F128-L251 HydrophobicContact CZ-CD1 4.03Å; D220-L251 VanDerWaalsContact OD2-CD2 3.24Å; D220-L251 WeakPolarHBondContact OD2-CD2 3.47Å; S249-L251 PolarHBondContact O-N 3Å; S249-L251 PolarHBondContact OG-N 3.35Å
252T96.2Very high96.1Very high87 Ų8731.1 Ų31.153%0.53416%0.16SC..THydrogen-bonded Turntrans-83.1-19.7-176.466.90000112.9D220 S249 E254D220-T252 HydrophobicContact CB-CG2 3.93Å; S249-T252 WeakPolarHBondContact CB-OG1 3.32Å; S249-T252 PolarHBondContact OG-N 3.45Å; S249-T252 VanDerWaalsContact OG-N 3.12Å; S249-T252 PolarHBondContact OG-OG1 2.95Å; T252-E254 VanDerWaalsContact C-N 3.29Å; T252-E254 WeakPolarHBondContact OG1-CB 3.47Å; T252-E254 PolarHBondContact OG1-N 3.14Å
253G95.5Very high96.3Very high25 Ų2524.8 Ų24.826%0.25813%0.131SC..  trans85.8-1.9-17200000113.6S249 N255 V256S249-G253 CarbonylContact O-C 3.56Å; S249-G253 WeakPolarHBondContact O-CA 3.3Å; S249-G253 PolarHBondContact O-N 3.37Å; G253-N255 PolarHBondContact O-N 2.78Å; G253-V256 PolarHBondContact O-N 3.39Å
254E96.2Very high96.4Very high76 Ų7624.7 Ų24.736%0.35513%0.13SC..THydrogen-bonded Turntrans-55.8125.7-178-169-166.6163.500111.6K219 V248 S249 T252 V256K219-E254 IonicContact NZ-OE1 2.94Å; K219-E254 PolarHBondContact NZ-OE1 3.1Å; V248-E254 WeakPolarHBondContact CA-O 3.35Å; S249-E254 PolarHBondContact N-O 3.34Å; S249-E254 PolarHBondContact O-N 2.88Å; T252-E254 VanDerWaalsContact C-N 3.29Å; T252-E254 WeakPolarHBondContact OG1-CB 3.47Å; T252-E254 PolarHBondContact OG1-N 3.14Å; E254-V256 PolarHBondContact O-N 2.86Å
255N96.2Very high96.3Very high32 Ų3224.5 Ų24.517%0.17113%0.129CC..THydrogen-bonded Turntrans60.50.8178.6-54.4-37.1000116F71 W246 A247 V248 G253 E258 F259F71-N255 WeakPolarHBondContact CE2-ND2 3.32Å; W246-N255 HydrophobicContact CE3-CB 4.31Å; W246-N255 HydrophobicContact CZ3-CB 4.4Å; A247-N255 WeakPolarHBondContact O-CB 3.48Å; A247-N255 PolarHBondContact O-ND2 3.05Å; V248-N255 HydrophobicContact CG1-CB 4.05Å; G253-N255 PolarHBondContact O-N 2.78Å; N255-E258 VanDerWaalsContact CA-OE2 3.31Å; N255-E258 WeakPolarHBondContact CA-OE2 3.49Å; N255-F259 WeakPolarHBondContact O-CB 3.32Å; N255-F259 PolarHBondContact O-N 2.97Å
256V97.1Very high96.2Very high3 Ų324.7 Ų24.72%0.01813%0.13CC..Hα-helixtrans-67.2-44.9-176.6175.10000110.9L119 R122 F123 V248 S249 G253 E254 F260L119-V256 HydrophobicContact CD1-CB 4.45Å; L119-V256 HydrophobicContact CD1-CG1 3.92Å; L119-V256 HydrophobicContact CD1-CG2 3.94Å; R122-V256 HydrophobicContact CB-CG1 4.26Å; R122-V256 HydrophobicContact CG-CB 4.14Å; R122-V256 HydrophobicContact CG-CG1 3.83Å; R122-V256 HydrophobicContact CG-CG2 4.05Å; F123-V256 HydrophobicContact CB-CG1 3.89Å; V248-V256 HydrophobicContact CB-CG2 4.16Å; S249-V256 WeakPolarHBondContact O-CG2 3.07Å; G253-V256 PolarHBondContact O-N 3.39Å; E254-V256 PolarHBondContact O-N 2.86Å; V256-F260 HydrophobicContact CG1-CD2 4.17Å; V256-F260 HydrophobicContact CG1-CE2 4.28Å; V256-F260 WeakPolarHBondContact O-CD2 3.4Å; V256-F260 PolarHBondContact O-N 3.13Å
257K95.6Very high96Very high91 Ų9124.5 Ų24.540%0.39613%0.129SC..Hα-helixtrans-67.8-48.2-178.9-175.5-179.7178.9-178.90110.6F259 F260 F261K257-F259 VanDerWaalsContact C-N 3.29Å; K257-F259 PolarHBondContact O-N 2.79Å; K257-F260 PolarHBondContact O-N 2.94Å; K257-F261 HydrophobicContact CD-CE2 4.34Å; K257-F261 HydrophobicContact CG-CD2 3.85Å; K257-F261 HydrophobicContact CG-CE2 3.7Å; K257-F261 HydrophobicContact CG-CZ 4.48Å; K257-F261 WeakPolarHBondContact O-CB 3.26Å; K257-F261 WeakPolarHBondContact O-CD2 3.44Å; K257-F261 PolarHBondContact O-N 3.39Å
258E95.1Very high95.8Very high94 Ų9424.5 Ų24.544%0.43913%0.129SC..Hα-helixtrans-58.7-43.5-179.6-65.769.5-152.800110.7W246 N255 F261 R262W246-E258 HydrophobicContact CH2-CB 4.03Å; W246-E258 HydrophobicContact CZ3-CB 3.82Å; N255-E258 VanDerWaalsContact CA-OE2 3.31Å; N255-E258 WeakPolarHBondContact CA-OE2 3.49Å; E258-F261 PolarHBondContact O-N 3.37Å; E258-R262 WeakPolarHBondContact O-CB 3.41Å; E258-R262 PolarHBondContact O-N 2.88Å
259F97.1Very high95.5Very high0 Ų025.1 Ų25.10%013%0.132CC..Hα-helixtrans-58.5-54176170.8-118000112.4L119 I180 F213 V215 W246 V248 N255 K257 F261 R262 V263L119-F259 HydrophobicContact CD2-CE1 4.33Å; I180-F259 HydrophobicContact CD1-CE1 3.89Å; I180-F259 HydrophobicContact CD1-CZ 3.75Å; I180-F259 HydrophobicContact CG1-CZ 4.03Å; I180-F259 HydrophobicContact CG2-CE1 4.29Å; I180-F259 HydrophobicContact CG2-CZ 3.92Å; F213-F259 HydrophobicContact CB-CE2 3.98Å; F213-F259 HydrophobicContact CB-CZ 4.18Å; F213-F259 AromaticContact CD1-CE2 3.8Å; F213-F259 HydrophobicContact CD1-CE2 3.8Å; F213-F259 HydrophobicContact CG-CE2 4.05Å; F213-F259 HydrophobicContact CG-CZ 4.48Å; V215-F259 HydrophobicContact CG2-CD2 4.44Å; V215-F259 HydrophobicContact CG2-CE1 3.81Å; V215-F259 HydrophobicContact CG2-CE2 3.65Å; V215-F259 HydrophobicContact CG2-CZ 3.28Å; W246-F259 HydrophobicContact CB-CD2 3.82Å; W246-F259 HydrophobicContact CB-CE2 4.28Å; W246-F259 HydrophobicContact CB-CG 4.45Å; W246-F259 AromaticContact CD1-CD2 3.65Å; W246-F259 AromaticContact CD1-CE2 3.99Å; W246-F259 HydrophobicContact CD2-CB 3.95Å; W246-F259 AromaticContact CD2-CD2 3.63Å; W246-F259 HydrophobicContact CD2-CD2 3.63Å; W246-F259 HydrophobicContact CD2-CG 4.23Å; W246-F259 HydrophobicContact CE3-CB 3.65Å; W246-F259 HydrophobicContact CE3-CD2 4.24Å; W246-F259 HydrophobicContact CE3-CG 4.4Å; W246-F259 HydrophobicContact CG-CB 4.44Å; W246-F259 AromaticContact CG-CD2 3.4Å; W246-F259 HydrophobicContact CG-CD2 3.4Å; W246-F259 VanDerWaalsContact CG-CD2 3.4Å; W246-F259 HydrophobicContact CG-CE2 4.04Å; W246-F259 HydrophobicContact CG-CG 4.26Å; W246-F259 HydrophobicContact CZ3-CB 4.09Å; V248-F259 HydrophobicContact CG1-CB 4.29Å; N255-F259 WeakPolarHBondContact O-CB 3.32Å; N255-F259 PolarHBondContact O-N 2.97Å; K257-F259 VanDerWaalsContact C-N 3.29Å; K257-F259 PolarHBondContact O-N 2.79Å; F259-F261 VanDerWaalsContact C-N 3.3Å; F259-F261 PolarHBondContact O-N 2.77Å; F259-R262 WeakPolarHBondContact O-CB 3.27Å; F259-R262 PolarHBondContact O-N 2.87Å; F259-V263 HydrophobicContact CD2-CG2 4.16Å; F259-V263 HydrophobicContact CE1-CG2 4.35Å; F259-V263 HydrophobicContact CE2-CG2 3.66Å; F259-V263 HydrophobicContact CZ-CG2 3.75Å; F259-V263 WeakPolarHBondContact O-CG2 3.25Å; F259-V263 PolarHBondContact O-N 2.66Å
260F97.4Very high95.2Very high0 Ų027.7 Ų27.70%015%0.148CC..Hα-helixtrans-69.8-28.4-178.5-81.5-74.2000113.2L119 I120 F123 L156 I180 V256 K257 V263 A264L119-F260 HydrophobicContact CD1-CE2 3.97Å; L119-F260 HydrophobicContact CD2-CZ 4.5Å; L119-F260 HydrophobicContact CG-CE2 3.83Å; L119-F260 HydrophobicContact CG-CZ 4.08Å; I120-F260 HydrophobicContact CG1-CZ 4.49Å; F123-F260 HydrophobicContact CB-CD2 3.42Å; F123-F260 VanDerWaalsContact CB-CD2 3.42Å; F123-F260 HydrophobicContact CB-CE2 3.55Å; F123-F260 HydrophobicContact CB-CG 4.2Å; F123-F260 HydrophobicContact CB-CZ 4.43Å; F123-F260 HydrophobicContact CD1-CB 3.79Å; F123-F260 AromaticContact CD1-CD1 3.94Å; F123-F260 HydrophobicContact CD1-CD1 3.94Å; F123-F260 AromaticContact CD1-CD2 3.67Å; F123-F260 HydrophobicContact CD1-CD2 3.67Å; F123-F260 HydrophobicContact CD1-CE1 4.43Å; F123-F260 HydrophobicContact CD1-CE2 4.17Å; F123-F260 AromaticContact CD1-CG 3.52Å; F123-F260 HydrophobicContact CD1-CG 3.52Å; F123-F260 HydrophobicContact CD2-CB 3.63Å; F123-F260 AromaticContact CD2-CD2 3.71Å; F123-F260 HydrophobicContact CD2-CD2 3.71Å; F123-F260 AromaticContact CD2-CG 3.92Å; F123-F260 HydrophobicContact CD2-CG 3.92Å; F123-F260 HydrophobicContact CE1-CB 3.63Å; F123-F260 HydrophobicContact CE1-CD1 4.19Å; F123-F260 HydrophobicContact CE1-CD2 4.39Å; F123-F260 AromaticContact CE1-CG 3.84Å; F123-F260 HydrophobicContact CE1-CG 3.84Å; F123-F260 HydrophobicContact CE2-CB 3.51Å; F123-F260 HydrophobicContact CE2-CD2 4.47Å; F123-F260 HydrophobicContact CE2-CG 4.25Å; F123-F260 HydrophobicContact CG-CB 3.8Å; F123-F260 HydrophobicContact CG-CD1 4.4Å; F123-F260 AromaticContact CG-CD2 3.28Å; F123-F260 HydrophobicContact CG-CD2 3.28Å; F123-F260 AromaticContact CG-CE2 3.88Å; F123-F260 HydrophobicContact CG-CE2 3.88Å; F123-F260 AromaticContact CG-CG 3.58Å; F123-F260 HydrophobicContact CG-CG 3.58Å; F123-F260 HydrophobicContact CZ-CB 3.54Å; F123-F260 HydrophobicContact CZ-CG 4.23Å; L156-F260 HydrophobicContact CD1-CE1 4.14Å; L156-F260 HydrophobicContact CD2-CD1 4.31Å; L156-F260 HydrophobicContact CD2-CE1 3.88Å; I180-F260 HydrophobicContact CD1-CE1 4.03Å; V256-F260 HydrophobicContact CG1-CD2 4.17Å; V256-F260 HydrophobicContact CG1-CE2 4.28Å; V256-F260 WeakPolarHBondContact O-CD2 3.4Å; V256-F260 PolarHBondContact O-N 3.13Å; K257-F260 PolarHBondContact O-N 2.94Å; F260-V263 PolarHBondContact O-N 3.23Å; F260-A264 WeakPolarHBondContact O-CB 3.46Å; F260-A264 PolarHBondContact O-N 2.87Å
261F96.1Very high94.8Very high26 Ų2628.5 Ų28.511%0.11415%0.152CC..Hα-helixtrans-63-45.1170.1-91.6-122.7000111.3D61 I64 P68 F123 F145 K257 E258 F259 A264 A265D61-F261 VanDerWaalsContact O-CZ 3.24Å; D61-F261 WeakPolarHBondContact O-CZ 3.28Å; I64-F261 HydrophobicContact CD1-CB 4.34Å; I64-F261 HydrophobicContact CD1-CD1 3.94Å; I64-F261 HydrophobicContact CD1-CG 4.22Å; I64-F261 WeakPolarHBondContact CD1-O 3.13Å; I64-F261 HydrophobicContact CG1-CD1 3.72Å; I64-F261 HydrophobicContact CG1-CE1 3.93Å; I64-F261 HydrophobicContact CG1-CG 4.47Å; P68-F261 HydrophobicContact CB-CB 4.36Å; P68-F261 HydrophobicContact CG-CB 3.9Å; F123-F261 HydrophobicContact CE2-CD2 4.33Å; F123-F261 HydrophobicContact CE2-CE2 4.37Å; F145-F261 HydrophobicContact CE1-CD2 4.05Å; F145-F261 HydrophobicContact CE1-CE2 4.13Å; K257-F261 HydrophobicContact CD-CE2 4.34Å; K257-F261 HydrophobicContact CG-CD2 3.85Å; K257-F261 HydrophobicContact CG-CE2 3.7Å; K257-F261 HydrophobicContact CG-CZ 4.48Å; K257-F261 WeakPolarHBondContact O-CB 3.26Å; K257-F261 WeakPolarHBondContact O-CD2 3.44Å; K257-F261 PolarHBondContact O-N 3.39Å; E258-F261 PolarHBondContact O-N 3.37Å; F259-F261 VanDerWaalsContact C-N 3.3Å; F259-F261 PolarHBondContact O-N 2.77Å; F261-A264 PolarHBondContact O-N 3.39Å; F261-A265 WeakPolarHBondContact O-CB 3.19Å; F261-A265 PolarHBondContact O-N 2.64Å
262R95Very high94.4Very high3 Ų325.5 Ų25.51%0.01114%0.136CC..Hα-helixtrans-60.1-47.4175.4-178.473.3172.21655.6111.3P68 H78 E244 W246 E258 F259 A264 A265 L266P68-R262 HydrophobicContact CB-CB 4.29Å; P68-R262 WeakPolarHBondContact O-CD 3.33Å; P68-R262 PolarHBondContact O-NH1 3.13Å; H78-R262 PolarHBondContact O-NH2 3.28Å; E244-R262 VanDerWaalsContact OE1-CG 3.31Å; E244-R262 WeakPolarHBondContact OE1-CG 3.44Å; E244-R262 IonicContact OE1-CZ 3.85Å; E244-R262 IonicContact OE1-NE 3.12Å; E244-R262 PolarHBondContact OE1-NE 2.81Å; E244-R262 IonicContact OE1-NH2 3.72Å; E244-R262 IonicContact OE2-CZ 3.36Å; E244-R262 IonicContact OE2-NE 3.63Å; E244-R262 PolarHBondContact OE2-NE 3.46Å; E244-R262 IonicContact OE2-NH2 3.59Å; E244-R262 PolarHBondContact OE2-NH2 3.33Å; W246-R262 HydrophobicContact CH2-CB 4.35Å; W246-R262 HydrophobicContact CZ2-CB 3.74Å; W246-R262 HydrophobicContact CZ2-CG 3.77Å; E258-R262 WeakPolarHBondContact O-CB 3.41Å; E258-R262 PolarHBondContact O-N 2.88Å; F259-R262 WeakPolarHBondContact O-CB 3.27Å; F259-R262 PolarHBondContact O-N 2.87Å; R262-A264 VanDerWaalsContact C-N 3.34Å; R262-A264 PolarHBondContact O-N 2.88Å; R262-A265 PolarHBondContact O-N 2.99Å; R262-L266 HydrophobicContact CG-CD1 4.08Å; R262-L266 WeakPolarHBondContact O-CG 3.37Å; R262-L266 PolarHBondContact O-N 3.46Å
263V96.2Very high94.1Very high0 Ų023.4 Ų23.40%012%0.122CC..Hα-helixtrans-57-47.6175.1171.30000111.1V106 L154 V178 I180 F213 F259 F260 A265 A267V106-V263 HydrophobicContact CG2-CG1 4.49Å; L154-V263 HydrophobicContact CD1-CG1 4.11Å; V178-V263 HydrophobicContact CG1-CG1 4.03Å; V178-V263 HydrophobicContact CG2-CG1 4.44Å; I180-V263 HydrophobicContact CD1-CG2 4.5Å; F213-V263 HydrophobicContact CD1-CG2 4.15Å; F213-V263 HydrophobicContact CD2-CG2 4.07Å; F213-V263 HydrophobicContact CE1-CG2 3.99Å; F213-V263 HydrophobicContact CE2-CG2 3.92Å; F213-V263 HydrophobicContact CG-CG2 4.18Å; F213-V263 HydrophobicContact CZ-CB 4.48Å; F213-V263 HydrophobicContact CZ-CG2 3.88Å; F259-V263 HydrophobicContact CD2-CG2 4.16Å; F259-V263 HydrophobicContact CE1-CG2 4.35Å; F259-V263 HydrophobicContact CE2-CG2 3.66Å; F259-V263 HydrophobicContact CZ-CG2 3.75Å; F259-V263 WeakPolarHBondContact O-CG2 3.25Å; F259-V263 PolarHBondContact O-N 2.66Å; F260-V263 PolarHBondContact O-N 3.23Å; V263-A265 PolarHBondContact O-N 3.05Å; V263-A267 WeakPolarHBondContact O-CB 3.43Å; V263-A267 PolarHBondContact O-N 3.19Å
264A95.9Very high93.6Very high0 Ų023.9 Ų23.90%012%0.123CC..Hα-helixtrans-62-44.1-179.300000112.3I64 F145 F152 L154 F260 F261 R262 F268I64-A264 HydrophobicContact CD1-CB 3.93Å; F145-A264 HydrophobicContact CD1-CB 3.93Å; F145-A264 HydrophobicContact CD2-CB 4.04Å; F145-A264 HydrophobicContact CE1-CB 3.74Å; F145-A264 HydrophobicContact CE2-CB 3.89Å; F145-A264 HydrophobicContact CG-CB 4.04Å; F145-A264 HydrophobicContact CZ-CB 3.69Å; F152-A264 HydrophobicContact CD1-CB 4.39Å; F152-A264 HydrophobicContact CE1-CB 4.17Å; F152-A264 WeakPolarHBondContact CE1-O 3.36Å; L154-A264 HydrophobicContact CD1-CB 3.9Å; L154-A264 HydrophobicContact CG-CB 4.29Å; F260-A264 WeakPolarHBondContact O-CB 3.46Å; F260-A264 PolarHBondContact O-N 2.87Å; F261-A264 PolarHBondContact O-N 3.39Å; R262-A264 VanDerWaalsContact C-N 3.34Å; R262-A264 PolarHBondContact O-N 2.88Å; A264-F268 VanDerWaalsContact O-CB 3.26Å; A264-F268 WeakPolarHBondContact O-CB 3.15Å; A264-F268 PolarHBondContact O-N 3.46Å
265A94.1Very high93.1Very high0 Ų024.1 Ų24.10%012%0.124CC..Hα-helixtrans-65.1-47.6-178.900000112.4I64 L67 P68 F83 F261 R262 V263 F268 E269I64-A265 HydrophobicContact CD1-CB 4.46Å; I64-A265 HydrophobicContact CG2-CB 4.2Å; L67-A265 HydrophobicContact CD1-CB 3.64Å; P68-A265 VanDerWaalsContact CD-CB 3.46Å; P68-A265 HydrophobicContact CG-CB 4.21Å; F83-A265 HydrophobicContact CE1-CB 3.93Å; F83-A265 HydrophobicContact CZ-CB 3.8Å; F261-A265 WeakPolarHBondContact O-CB 3.19Å; F261-A265 PolarHBondContact O-N 2.64Å; R262-A265 PolarHBondContact O-N 2.99Å; V263-A265 PolarHBondContact O-N 3.05Å; A265-F268 PolarHBondContact O-N 3.28Å; A265-E269 WeakPolarHBondContact O-CB 3.26Å; A265-E269 PolarHBondContact O-N 3.38Å
266L93.5Very high92.5Very high3 Ų325.8 Ų25.82%0.01613%0.133CC..Hα-helixtrans-68.6-39179.6-66175.5000111.8L67 H78 Q211 F213 R262 F268 E269 T270L67-L266 HydrophobicContact CD1-CD2 4.06Å; H78-L266 HydrophobicContact CB-CD2 4.23Å; Q211-L266 PolarHBondContact NE2-O 2.83Å; F213-L266 HydrophobicContact CE1-CD1 4.2Å; F213-L266 HydrophobicContact CZ-CD1 3.83Å; R262-L266 HydrophobicContact CG-CD1 4.08Å; R262-L266 WeakPolarHBondContact O-CG 3.37Å; R262-L266 PolarHBondContact O-N 3.46Å; L266-F268 VanDerWaalsContact C-N 3.35Å; L266-F268 PolarHBondContact O-N 3.05Å; L266-E269 PolarHBondContact O-N 3.06Å; L266-T270 PolarHBondContact O-N 3.33Å; L266-T270 PolarHBondContact O-OG1 3.33Å
267A94Very high91.9Very high1 Ų132.5 Ų32.51%0.00816%0.164CC..Hα-helixtrans-62.9-41.3174.400000112.1F152 L154 V178 V263 N271F152-A267 HydrophobicContact CE1-CB 4.34Å; F152-A267 HydrophobicContact CZ-CB 3.88Å; L154-A267 HydrophobicContact CD2-CB 4.37Å; V178-A267 HydrophobicContact CG2-CB 3.9Å; V263-A267 WeakPolarHBondContact O-CB 3.43Å; V263-A267 PolarHBondContact O-N 3.19Å; A267-N271 WeakPolarHBondContact O-CB 3.41Å; A267-N271 VanDerWaalsContact O-CG 3.3Å; A267-N271 PolarHBondContact O-N 3.25Å; A267-N271 VanDerWaalsContact O-N 3.11Å
268F92.9Very high91.2Very high0 Ų034.4 Ų34.40%017%0.172CC..Hα-helixtrans-62.5-48.5175174-96.2000111.7V87 K102 V147 L148 V150 F152 A264 A265 L266 T270 N271 V272V87-F268 HydrophobicContact CG1-CD1 4.49Å; V87-F268 HydrophobicContact CG1-CE1 3.97Å; K102-F268 HydrophobicContact CD-CD2 4.46Å; K102-F268 HydrophobicContact CD-CE2 4.22Å; V147-F268 HydrophobicContact CB-CB 4.37Å; V147-F268 HydrophobicContact CB-CD1 3.92Å; V147-F268 HydrophobicContact CB-CD2 4.07Å; V147-F268 HydrophobicContact CB-CE1 4.17Å; V147-F268 HydrophobicContact CB-CE2 4.31Å; V147-F268 HydrophobicContact CB-CG 3.85Å; V147-F268 HydrophobicContact CB-CZ 4.36Å; V147-F268 HydrophobicContact CG1-CB 4.2Å; V147-F268 HydrophobicContact CG1-CD1 3.45Å; V147-F268 VanDerWaalsContact CG1-CD1 3.45Å; V147-F268 HydrophobicContact CG1-CD2 4.48Å; V147-F268 HydrophobicContact CG1-CE1 3.86Å; V147-F268 HydrophobicContact CG1-CG 3.79Å; V147-F268 HydrophobicContact CG2-CB 4.3Å; V147-F268 HydrophobicContact CG2-CD2 4.48Å; V147-F268 HydrophobicContact CG2-CG 4.27Å; L148-F268 HydrophobicContact CD1-CE1 4.37Å; V150-F268 HydrophobicContact CB-CE2 3.92Å; V150-F268 HydrophobicContact CB-CZ 3.92Å; V150-F268 HydrophobicContact CG1-CE2 3.91Å; V150-F268 HydrophobicContact CG1-CZ 4.28Å; V150-F268 HydrophobicContact CG2-CZ 4.23Å; F152-F268 HydrophobicContact CB-CD2 4.01Å; F152-F268 HydrophobicContact CD1-CB 4.14Å; F152-F268 HydrophobicContact CD2-CB 4.31Å; F152-F268 AromaticContact CD2-CD2 3.9Å; F152-F268 HydrophobicContact CD2-CD2 3.9Å; F152-F268 HydrophobicContact CE1-CB 4.12Å; F152-F268 HydrophobicContact CE2-CB 4.32Å; F152-F268 HydrophobicContact CG-CB 4.22Å; F152-F268 AromaticContact CG-CD2 3.93Å; F152-F268 HydrophobicContact CG-CD2 3.93Å; F152-F268 HydrophobicContact CZ-CB 4.2Å; A264-F268 VanDerWaalsContact O-CB 3.26Å; A264-F268 WeakPolarHBondContact O-CB 3.15Å; A264-F268 PolarHBondContact O-N 3.46Å; A265-F268 PolarHBondContact O-N 3.28Å; L266-F268 VanDerWaalsContact C-N 3.35Å; L266-F268 PolarHBondContact O-N 3.05Å; F268-T270 PolarHBondContact O-N 3.47Å; F268-N271 PolarHBondContact O-N 3.47Å; F268-V272 HydrophobicContact CD1-CG2 4.11Å; F268-V272 HydrophobicContact CD2-CG2 4.3Å; F268-V272 HydrophobicContact CE1-CG2 3.72Å; F268-V272 HydrophobicContact CE2-CG2 3.92Å; F268-V272 HydrophobicContact CG-CG2 4.4Å; F268-V272 HydrophobicContact CZ-CG2 3.61Å; F268-V272 VanDerWaalsContact O-CG2 3.27Å; F268-V272 WeakPolarHBondContact O-CG2 3.4Å; F268-V272 PolarHBondContact O-N 3.27Å
269E91Very high90.1Very high13 Ų1332.8 Ų32.86%0.06117%0.171CC..Hα-helixtrans-57.3-50.5179.7172.8159-101.300112F83 N84 V87 A265 L266 N271 V272 L273F83-E269 WeakPolarHBondContact CA-OE1 3.46Å; F83-E269 HydrophobicContact CD1-CB 4.27Å; N84-E269 WeakPolarHBondContact CB-OE1 3.42Å; N84-E269 PolarHBondContact N-OE1 3.38Å; V87-E269 HydrophobicContact CG2-CG 4.19Å; A265-E269 WeakPolarHBondContact O-CB 3.26Å; A265-E269 PolarHBondContact O-N 3.38Å; L266-E269 PolarHBondContact O-N 3.06Å; E269-N271 VanDerWaalsContact C-N 3.34Å; E269-N271 PolarHBondContact O-N 3.48Å; E269-V272 PolarHBondContact O-N 3.19Å; E269-L273 HydrophobicContact CG-CD1 3.97Å; E269-L273 WeakPolarHBondContact O-CG 3.48Å; E269-L273 PolarHBondContact O-N 3.12Å
270T90.6Very high88.3Confident55 Ų5534.4 Ų34.434%0.33719%0.188SC..Hα-helixtrans-60.4-42.6177.5-610000112Q211 L266 F268 V272 L273 A274Q211-T270 VanDerWaalsContact NE2-CB 3.27Å; Q211-T270 PolarHBondContact NE2-OG1 2.83Å; L266-T270 PolarHBondContact O-N 3.33Å; L266-T270 PolarHBondContact O-OG1 3.33Å; F268-T270 PolarHBondContact O-N 3.47Å; T270-V272 VanDerWaalsContact C-N 3.35Å; T270-V272 PolarHBondContact O-N 3.42Å; T270-L273 PolarHBondContact O-N 3.45Å; T270-A274 WeakPolarHBondContact O-CB 3.34Å; T270-A274 PolarHBondContact O-N 3.1Å
271N89.3Confident86.3Confident23 Ų2338.1 Ų38.112%0.12321%0.214CC..Hα-helixtrans-62-42176.9-78.9-9.4000112.3S104 Q177 A267 F268 E269 E275S104-N271 PolarHBondContact OG-ND2 3.32Å; Q177-N271 PolarHBondContact NE2-ND2 3.23Å; Q177-N271 PolarHBondContact NE2-OD1 3.46Å; A267-N271 WeakPolarHBondContact O-CB 3.41Å; A267-N271 VanDerWaalsContact O-CG 3.3Å; A267-N271 PolarHBondContact O-N 3.25Å; A267-N271 VanDerWaalsContact O-N 3.11Å; F268-N271 PolarHBondContact O-N 3.47Å; E269-N271 VanDerWaalsContact C-N 3.34Å; E269-N271 PolarHBondContact O-N 3.48Å; N271-E275 WeakPolarHBondContact O-CG 3.45Å; N271-E275 PolarHBondContact O-N 3.41Å
272V88.4Confident84.3Confident4 Ų445.8 Ų45.82%0.02424%0.242CC..Hα-helixtrans-65.7-45.6177.7178.40000110.7V87 A90 K102 F268 E269 T270 A274 E275 L276V87-V272 HydrophobicContact CB-CG1 4.24Å; V87-V272 HydrophobicContact CG1-CB 4.11Å; V87-V272 HydrophobicContact CG1-CG1 4.01Å; V87-V272 HydrophobicContact CG1-CG2 4.24Å; V87-V272 HydrophobicContact CG2-CB 4Å; V87-V272 HydrophobicContact CG2-CG1 3.87Å; A90-V272 HydrophobicContact CB-CG1 4.36Å; K102-V272 HydrophobicContact CD-CG2 4.37Å; F268-V272 HydrophobicContact CD1-CG2 4.11Å; F268-V272 HydrophobicContact CD2-CG2 4.3Å; F268-V272 HydrophobicContact CE1-CG2 3.72Å; F268-V272 HydrophobicContact CE2-CG2 3.92Å; F268-V272 HydrophobicContact CG-CG2 4.4Å; F268-V272 HydrophobicContact CZ-CG2 3.61Å; F268-V272 VanDerWaalsContact O-CG2 3.27Å; F268-V272 WeakPolarHBondContact O-CG2 3.4Å; F268-V272 PolarHBondContact O-N 3.27Å; E269-V272 PolarHBondContact O-N 3.19Å; T270-V272 VanDerWaalsContact C-N 3.35Å; T270-V272 PolarHBondContact O-N 3.42Å; V272-A274 PolarHBondContact O-N 2.73Å; V272-E275 PolarHBondContact O-N 3Å; V272-L276 HydrophobicContact CG1-CD1 4.02Å; V272-L276 HydrophobicContact CG1-CG 4.32Å; V272-L276 WeakPolarHBondContact O-CG 3.35Å; V272-L276 PolarHBondContact O-N 3.15Å
273L88.3Confident82Confident43 Ų4352.9 Ų52.923%0.22528%0.275CS..Hα-helixtrans-60-46.4178.8-71.8171.8000111.8K86 V87 E269 T270 E275 L276 E277K86-L273 HydrophobicContact CB-CD2 4.35Å; V87-L273 HydrophobicContact CG2-CD1 4.48Å; V87-L273 HydrophobicContact CG2-CD2 3.74Å; V87-L273 HydrophobicContact CG2-CG 3.7Å; E269-L273 HydrophobicContact CG-CD1 3.97Å; E269-L273 WeakPolarHBondContact O-CG 3.48Å; E269-L273 PolarHBondContact O-N 3.12Å; T270-L273 PolarHBondContact O-N 3.45Å; L273-E275 VanDerWaalsContact C-N 3.27Å; L273-E275 PolarHBondContact O-N 3.26Å; L273-L276 PolarHBondContact O-N 3.18Å; L273-L276 VanDerWaalsContact O-N 3.15Å; L273-E277 WeakPolarHBondContact O-CG 3.4Å; L273-E277 PolarHBondContact O-N 3.18Å
274A86.5Confident79.5Confident35 Ų3559.3 Ų59.329%0.28931%0.308SS..Hα-helixtrans-61.3-34.3178.200000112.9T270 V272 K278T270-A274 WeakPolarHBondContact O-CB 3.34Å; T270-A274 PolarHBondContact O-N 3.1Å; V272-A274 PolarHBondContact O-N 2.73Å; A274-K278 WeakPolarHBondContact O-CD 3.26Å; A274-K278 VanDerWaalsContact O-CG 3.26Å; A274-K278 WeakPolarHBondContact O-CG 3.47Å; A274-K278 PolarHBondContact O-N 2.69Å
275E84.2Confident76.9Confident80 Ų8062.1 Ų62.137%0.37434%0.338SS..Hα-helixtrans-71.5-39.1174.5-78.5177.1-164.700113.1K102 N271 V272 L273 E277 K278 S279K102-E275 VanDerWaalsContact CE-CD 3.48Å; K102-E275 WeakPolarHBondContact CE-OE1 3.37Å; K102-E275 WeakPolarHBondContact CE-OE2 3.42Å; K102-E275 IonicContact NZ-OE1 3.16Å; K102-E275 PolarHBondContact NZ-OE1 2.81Å; K102-E275 IonicContact NZ-OE2 3.71Å; K102-E275 PolarHBondContact NZ-OE2 3.27Å; N271-E275 WeakPolarHBondContact O-CG 3.45Å; N271-E275 PolarHBondContact O-N 3.41Å; V272-E275 PolarHBondContact O-N 3Å; L273-E275 VanDerWaalsContact C-N 3.27Å; L273-E275 PolarHBondContact O-N 3.26Å; E275-E277 VanDerWaalsContact C-N 3.33Å; E275-K278 PolarHBondContact O-N 3.01Å; E275-S279 WeakPolarHBondContact O-CB 3.26Å; E275-S279 PolarHBondContact O-N 3.36Å; E275-S279 PolarHBondContact O-OG 3.25Å
276L84.1Confident74.6Confident67 Ų6769 Ų6935%0.35137%0.374SS..Hα-helixtrans-63.6-40.7177.8-70173.2000111.1K86 A90 V272 L273 S279 G280K86-L276 HydrophobicContact CB-CD1 4.17Å; A90-L276 HydrophobicContact CB-CD1 4.06Å; A90-L276 HydrophobicContact CB-CD2 4.02Å; V272-L276 HydrophobicContact CG1-CD1 4.02Å; V272-L276 HydrophobicContact CG1-CG 4.32Å; V272-L276 WeakPolarHBondContact O-CG 3.35Å; V272-L276 PolarHBondContact O-N 3.15Å; L273-L276 PolarHBondContact O-N 3.18Å; L273-L276 VanDerWaalsContact O-N 3.15Å; L276-S279 PolarHBondContact O-N 3.47Å; L276-G280 PolarHBondContact O-N 3.36Å
277E83.9Confident72.3Confident145 Ų14574.3 Ų74.368%0.67841%0.407SS*.Hα-helixtrans-63.5-43.6175.6-70.8174.3178.700112.2L273 E275 S279 G280 S281L273-E277 WeakPolarHBondContact O-CG 3.4Å; L273-E277 PolarHBondContact O-N 3.18Å; E275-E277 VanDerWaalsContact C-N 3.33Å; E277-S279 VanDerWaalsContact C-N 3.28Å; E277-S279 PolarHBondContact O-N 3.43Å; E277-G280 PolarHBondContact O-N 3.49Å; E277-S281 PolarHBondContact O-N 3.27Å; E277-S281 PolarHBondContact O-OG 3.33Å
278K80.9Confident69.8Low131 Ų13179.9 Ų79.957%0.5744%0.44SS*.Hα-helixtrans-65.5-29.6175.6-71.2170.6-173.9175.30113.1A274 E275 S281 R282A274-K278 WeakPolarHBondContact O-CD 3.26Å; A274-K278 VanDerWaalsContact O-CG 3.26Å; A274-K278 WeakPolarHBondContact O-CG 3.47Å; A274-K278 PolarHBondContact O-N 2.69Å; E275-K278 PolarHBondContact O-N 3.01Å; K278-S281 PolarHBondContact O-OG 2.87Å; K278-R282 WeakPolarHBondContact O-CG 3.45Å
279S71.8Confident67.2Low60 Ų6090.3 Ų90.342%0.4248%0.48SS..Hα-helixtrans-81.4-35.4179.4-56.60000111.9E275 L276 E277 R282 Q283E275-S279 WeakPolarHBondContact O-CB 3.26Å; E275-S279 PolarHBondContact O-N 3.36Å; E275-S279 PolarHBondContact O-OG 3.25Å; L276-S279 PolarHBondContact O-N 3.47Å; E277-S279 VanDerWaalsContact C-N 3.28Å; E277-S279 PolarHBondContact O-N 3.43Å; S279-R282 PolarHBondContact O-N 3.2Å; S279-Q283 PolarHBondContact O-N 2.99Å
280G60.1Low65.1Low34 Ų3496.9 Ų96.935%0.35151%0.513SS..Hα-helixtrans-64.6-36.4174.400000113.2L276 E277 Q283L276-G280 PolarHBondContact O-N 3.36Å; E277-G280 PolarHBondContact O-N 3.49Å; G280-Q283 PolarHBondContact O-N 2.9Å
281S56.1Low62.2Low77 Ų77100.8 Ų100.854%0.53853%0.532SS..Hα-helixtrans-70.4-30.4175.658.90000113.3E277 K278 I284E277-S281 PolarHBondContact O-N 3.27Å; E277-S281 PolarHBondContact O-OG 3.33Å; K278-S281 PolarHBondContact O-OG 2.87Å; S281-I284 PolarHBondContact O-N 2.96Å
282R52.7Low59.5Low188 Ų188104.3 Ų104.371%0.70956%0.559SS**Hα-helixtrans-69-31.8174.6-72174.5-178.3176.60.2113K278 S279 I284K278-R282 WeakPolarHBondContact O-CG 3.45Å; S279-R282 PolarHBondContact O-N 3.2Å; R282-I284 VanDerWaalsContact C-N 3.34Å
283Q47.5Very low56.8Low151 Ų151110.5 Ų110.571%0.70660%0.597SS**Hα-helixtrans-74.4-21.9177.9-74.7-174.2-5.200113.9S279 G280S279-Q283 PolarHBondContact O-N 2.99Å; G280-Q283 PolarHBondContact O-N 2.9Å
284I44.2Very low54.2Low135 Ų135113.8 Ų113.869%0.69262%0.623SS**Hα-helixtrans-78.1-23.4179.1-66.9163.6000111.6S281 R282S281-I284 PolarHBondContact O-N 2.96Å; R282-I284 VanDerWaalsContact C-N 3.34Å
285G41.5Very low51.6Low60 Ų60116.8 Ų116.862%0.61964%0.642SS**THydrogen-bonded Turntrans-74.9-19.5177.200000115.3
286D44.7Very low49.3Very low144 Ų144120.1 Ų120.177%0.7766%0.662SS**THydrogen-bonded Turntrans-98.96.3-175.6-72.4-25000113.7
287V46Very low46.9Very low115 Ų115124.8 Ų124.870%0.69769%0.687SS**  trans-112.157.2174.2-166.90000110.7
288V40.4Very low44.3Very low117 Ų117129 Ų12971%0.70970%0.698SS**  trans-117.675.6147.3-173.50000106.8I290V288-I290 VanDerWaalsContact C-N 3.33Å; V288-I290 HydrophobicContact CG1-CG1 3.9Å; V288-I290 PolarHBondContact O-N 3.02Å
289R39.9Very low42.1Very low220 Ų220126.7 Ų126.783%0.8370%0.704SS**  trans-67.296.4160.9-88.5-177.1168.4134.9-2.7107.4N291R289-N291 VanDerWaalsContact C-N 3.27Å; R289-N291 PolarHBondContact O-N 3.16Å
290I45.4Very low40.2Very low150 Ų150129.9 Ų129.977%0.76972%0.721SS**  trans-7289.9161.4-55.3179.6000107.2V288V288-I290 VanDerWaalsContact C-N 3.33Å; V288-I290 HydrophobicContact CG1-CG1 3.9Å; V288-I290 PolarHBondContact O-N 3.02Å
291N30.4Very low39.1Very low138 Ų138138.5 Ų138.574%0.73875%0.749SS**  trans-119127.5153.7-80.7-10.6000104.3R289R289-N291 VanDerWaalsContact C-N 3.27Å; R289-N291 PolarHBondContact O-N 3.16Å
292S31.8Very low38Very low96 Ų96144.1 Ų144.167%0.67176%0.764SS**  cis-172.2144.32937.40000110.4
293T33Very low37Very low134 Ų134143.5 Ų143.582%0.82277%0.766SS**  trans52.2107.5142.352.40000120.9
294S32.6Very low36.4Very low112 Ų112143.6 Ų143.678%0.78377%0.766SS**  -157.7106.9127.851.40000111.8
295S32.1Very low36.3Very low99 Ų99141.6 Ų141.669%0.69277%0.77SS**  trans58.1123.6139.5550000122.3
296N35.4Very low36.1Very low149 Ų149146.2 Ų146.280%0.79778%0.78SS**  trans73.9115.4147.7-68.2-38.5000118.6
297L33.7Very low35.7Very low166 Ų166145.2 Ų145.287%0.86978%0.783SS**  -177.279.1117-90.9154.8000109.7A299L297-A299 PolarHBondContact O-N 3.35Å
298Y30Very low35.6Very low233 Ų233145.5 Ų145.591%0.91479%0.789SS**  trans-77.2101151.3-87.3-84.4000107.5
299A35Very low35.4Very low82 Ų82152.9 Ų152.968%0.67882%0.816SS**  trans-127.682.415600000107.9L297 K301L297-A299 PolarHBondContact O-N 3.35Å; A299-K301 PolarHBondContact O-N 2.94Å
300T32.3Very low35.2Very low128 Ų128149.5 Ų149.579%0.78582%0.815SS**  trans-48.8118.2161.519.30000110.9
301K35.4Very low34.7Very low214 Ų214149.5 Ų149.593%0.9382%0.817SS**  trans-110.9118.3150.6-87.3-171.8178.2179.50109.1A299A299-K301 PolarHBondContact O-N 2.94Å
302K33.4Very low34.9Very low196 Ų196150.1 Ų150.185%0.85282%0.822SS**  trans-91.1159.6179.3-142.2-179.4-171.3179.20109.4
303K31.8Very low35.1Very low175 Ų175153.3 Ų153.376%0.76183%0.83SS**  trans93135.8165.3-67.2-174172.3-1750115.8
304Q35.7Very low35.2Very low153 Ų153154.5 Ų154.572%0.71583%0.831SS**  cis-160.6141.63.7-138.3164.2-2500108.3
305A40.9Very low35.4Very low92 Ų92157.3 Ų157.376%0.7683%0.834SS**  trans-78.9140.7161.500000109
306N39.2Very low35.6Very low158 Ų158161.5 Ų161.585%0.84584%0.844SS**  trans-140.8122.7155.8-95.5-6.2000108.3
307C34.9Very low35.6Very low122 Ų122162.5 Ų162.582%0.82485%0.848SS**  trans-121.3139.1166.1-1310000107.6
308C43.8Very low35.8Very low121 Ų121162.2 Ų162.282%0.81885%0.846SS**  trans68112.2161.9-56.70000120.7
309Q37Very low36.3Very low272 Ų272155.7 Ų155.7100%1.27184%0.84SS**  -143.80115.8-105.5-173.6-8.500109.2

Retrieved 309 of 309 residues in 317.5 ms (Link to these results)