A0A077ZGI7_TRITR Loading...

TUDOR domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGI7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 392 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
1M41.1Very low36.4Very low229 Ų229149.8 Ų149.8100%1.12880%0.804SS**  075.60-62.2172.2-177.800106.7
2S33.3Very low35.9Very low91 Ų91149.3 Ų149.364%0.63681%0.81SS**  cis52109.532.569.50000110.4
3I40.8Very low35.4Very low151 Ų151143.2 Ų143.277%0.77480%0.804SS**  -145.6132.465.5-73136.3000106.5
4I34.9Very low35.1Very low130 Ų130139.9 Ų139.967%0.66779%0.794SS**  cis71.1151.744.4-56.6-175.4000112.9
5D40.1Very low34.8Very low141 Ų141147.5 Ų147.575%0.75481%0.806SS**  trans89.683.1-170.7-50.9-13.1000111.4
6D36.5Very low34.7Very low143 Ų143146.1 Ų146.177%0.76580%0.803SS**  58.3123.558.5-65.2-38.3000114.6
7L37.8Very low34.6Very low152 Ų152144.4 Ų144.480%0.79680%0.804SS**  trans-177104136.1-98.5170000110.9
8D35.7Very low34.5Very low147 Ų147149.4 Ų149.479%0.78681%0.808SS**  trans55.4125.7143.8-52.6-14.1000122.4
9A31.6Very low34.3Very low104 Ų104148.2 Ų148.286%0.8681%0.809SS**  trans-129.5127.2157.600000109
10E35.5Very low34.4Very low183 Ų183145.8 Ų145.886%0.85580%0.804SS**  trans-127.4148.2172.1-74.3-160.8134.500112.3
11E32.7Very low34.7Very low177 Ų177144.8 Ų144.883%0.82780%0.802SS**  trans31.9101.5163.6-52.9-157.113100118.5
12V30.5Very low34.4Very low143 Ų143138.3 Ų138.387%0.86779%0.785SS**  6261.357.2-162.20000114.2
13G29.9Very low34.9Very low71 Ų71136.7 Ų136.773%0.73277%0.771SS**  trans-89.4106.416100000111.8
14S30.7Very low35.1Very low96 Ų96131.9 Ų131.967%0.67175%0.751SS**  trans-70.9135.6-17070.30000115.4T16S14-T16 PolarHBondContact O-N 3.12Å
15W30.1Very low35.5Very low255 Ų255129.7 Ų129.797%0.96675%0.747SS**  trans-82.5100.9166.2-75.474.5000109.7
16T34Very low35.7Very low124 Ų124128.2 Ų128.276%0.76174%0.739SS**  trans-93108.4174.145.60000111.5S14 R18S14-T16 PolarHBondContact O-N 3.12Å; T16-R18 PolarHBondContact O-N 2.77Å
17S33.6Very low36.4Very low117 Ų117126.5 Ų126.582%0.81873%0.726SS**  trans-55.1129.9177-51.30000112.3
18R31.6Very low36.9Very low235 Ų235127.3 Ų127.389%0.88772%0.719SS**  trans-84.4132.8153-80.1-171.3171.2-168.6-2.7108.6T16 S20T16-R18 PolarHBondContact O-N 2.77Å; R18-S20 PolarHBondContact O-N 3.21Å; R18-S20 VanDerWaalsContact O-N 3.08Å
19P31Very low37.2Very low127 Ų127126.3 Ų126.383%0.82571%0.707SS**  trans-70.2107175.328.6-32.8000109.3
20S37.1Very low37.8Very low100 Ų100127.2 Ų127.270%0.69969%0.694SS**  trans-70.9130.5155.150.50000107.7R18 A22R18-S20 PolarHBondContact O-N 3.21Å; R18-S20 VanDerWaalsContact O-N 3.08Å; S20-A22 PolarHBondContact O-N 3.43Å
21T39.3Very low38.5Very low124 Ų124123.1 Ų123.176%0.76168%0.677SS**  trans-63.7104.4161.537.70000107.1V23T21-V23 PolarHBondContact O-N 2.97Å
22A36.2Very low38.8Very low93 Ų93120.5 Ų120.577%0.76966%0.664SS**  trans-77.258.5-171.400000112.1S20 S24S20-A22 PolarHBondContact O-N 3.43Å; A22-S24 PolarHBondContact O-N 2.69Å
23V44.3Very low39.3Very low58 Ų58122.2 Ų122.235%0.35266%0.655SS.*  trans-55.5121.3164.8-177.80000107.3T21 E27 R28 L31T21-V23 PolarHBondContact O-N 2.97Å; V23-E27 WeakPolarHBondContact CA-OE2 3.18Å; V23-E27 HydrophobicContact CG1-CB 3.56Å; V23-R28 HydrophobicContact CB-CG 4.49Å; V23-R28 HydrophobicContact CG1-CG 3.91Å; V23-L31 HydrophobicContact CG1-CD1 4.48Å
24S44.9Very low40.1Very low50 Ų50123 Ų12335%0.3564%0.642SS.*  trans-57155-174.1178.50000111.7A22 D26 E27 R28A22-S24 PolarHBondContact O-N 2.69Å; S24-D26 PolarHBondContact O-N 2.7Å; S24-D26 PolarHBondContact OG-N 3.14Å; S24-E27 WeakPolarHBondContact CB-OE2 3.34Å; S24-E27 PolarHBondContact N-OE2 3.36Å; S24-E27 PolarHBondContact O-N 3.16Å; S24-R28 PolarHBondContact O-N 2.69Å
25S41.5Very low40.7Very low83 Ų83124.8 Ų124.858%0.5864%0.644SS**Hα-helixtrans-52.3-38.2169.3-660000111.3F29S25-F29 PolarHBondContact O-N 3.04Å
26D45Very low41.2Very low111 Ų111118.8 Ų118.859%0.59463%0.63SS**Hα-helixtrans-81.8-30.9-178.1-56.7-45.9000112.3S24 F29 Q30S24-D26 PolarHBondContact O-N 2.7Å; S24-D26 PolarHBondContact OG-N 3.14Å; D26-F29 CarbonylContact O-C 3.58Å; D26-F29 PolarHBondContact O-N 3.47Å; D26-Q30 WeakPolarHBondContact O-CB 3.17Å; D26-Q30 VanDerWaalsContact O-CG 3.31Å; D26-Q30 WeakPolarHBondContact O-CG 3.16Å; D26-Q30 PolarHBondContact O-N 2.94Å
27E52.3Low41.4Very low106 Ų106115.7 Ų115.750%0.49562%0.623SS.*Hα-helixtrans-67-40.8171.7-74.5177.5127.500111.5V23 S24 F29 Q30 L31V23-E27 WeakPolarHBondContact CA-OE2 3.18Å; V23-E27 HydrophobicContact CG1-CB 3.56Å; S24-E27 WeakPolarHBondContact CB-OE2 3.34Å; S24-E27 PolarHBondContact N-OE2 3.36Å; S24-E27 PolarHBondContact O-N 3.16Å; E27-F29 PolarHBondContact O-N 2.75Å; E27-Q30 PolarHBondContact O-N 3.34Å; E27-L31 WeakPolarHBondContact O-CB 3.28Å; E27-L31 WeakPolarHBondContact O-CG 3.23Å; E27-L31 PolarHBondContact O-N 2.96Å
28R46.6Very low41.6Very low170 Ų170120.3 Ų120.364%0.64262%0.622SS**Hα-helixtrans-60.8-33.8170.6-74.5-174.7176176.20.1111.9V23 S24 F32V23-R28 HydrophobicContact CB-CG 4.49Å; V23-R28 HydrophobicContact CG1-CG 3.91Å; S24-R28 PolarHBondContact O-N 2.69Å; R28-F32 WeakPolarHBondContact O-CB 3.28Å; R28-F32 PolarHBondContact O-N 2.96Å
29F42.4Very low41.6Very low125 Ų125116.7 Ų116.755%0.54862%0.621SS.*Hα-helixtrans-77.5-33.1177.7-134.2-89.1000113.1S25 D26 E27 R33S25-F29 PolarHBondContact O-N 3.04Å; D26-F29 CarbonylContact O-C 3.58Å; D26-F29 PolarHBondContact O-N 3.47Å; E27-F29 PolarHBondContact O-N 2.75Å; F29-R33 WeakPolarHBondContact O-CB 3.15Å; F29-R33 WeakPolarHBondContact O-CG 3.37Å; F29-R33 PolarHBondContact O-N 2.85Å
30Q44.7Very low41.6Very low123 Ų123117.4 Ų117.458%0.57562%0.622SS**Hα-helixtrans-63.8-52.2169.9-76.6-82.44.200110.8D26 E27 F32 R33 N34D26-Q30 WeakPolarHBondContact O-CB 3.17Å; D26-Q30 VanDerWaalsContact O-CG 3.31Å; D26-Q30 WeakPolarHBondContact O-CG 3.16Å; D26-Q30 PolarHBondContact O-N 2.94Å; E27-Q30 PolarHBondContact O-N 3.34Å; Q30-F32 PolarHBondContact O-N 3.08Å; Q30-R33 PolarHBondContact O-N 2.93Å; Q30-R33 VanDerWaalsContact O-N 3.16Å; Q30-N34 VanDerWaalsContact O-CG 3.3Å; Q30-N34 PolarHBondContact O-N 2.99Å; Q30-N34 PolarHBondContact O-ND2 2.91Å
31L50.1Low41.3Very low97 Ų97121.4 Ų121.451%0.50863%0.63SS.*Hα-helixtrans-57.2-49.6176.8-71.8165.6000111.2V23 E27 R33 N34 D35V23-L31 HydrophobicContact CG1-CD1 4.48Å; E27-L31 WeakPolarHBondContact O-CB 3.28Å; E27-L31 WeakPolarHBondContact O-CG 3.23Å; E27-L31 PolarHBondContact O-N 2.96Å; L31-R33 VanDerWaalsContact C-N 3.27Å; L31-R33 PolarHBondContact O-N 3.17Å; L31-N34 PolarHBondContact O-N 3.49Å; L31-N34 VanDerWaalsContact O-N 3.08Å; L31-D35 PolarHBondContact O-N 3.44Å
32F39.5Very low41Very low123 Ų123120 Ų12054%0.53963%0.631SS.*Hα-helixtrans-62.9-28.5178-172.3-110.9000113.9R28 Q30 L36R28-F32 WeakPolarHBondContact O-CB 3.28Å; R28-F32 PolarHBondContact O-N 2.96Å; Q30-F32 PolarHBondContact O-N 3.08Å; F32-L36 HydrophobicContact CD1-CD1 4.01Å; F32-L36 HydrophobicContact CD2-CD1 4.37Å; F32-L36 HydrophobicContact CE1-CD1 3.53Å; F32-L36 HydrophobicContact CE2-CD1 3.93Å; F32-L36 HydrophobicContact CG-CD1 4.41Å; F32-L36 HydrophobicContact CZ-CD1 3.49Å; F32-L36 VanDerWaalsContact CZ-CD1 3.49Å; F32-L36 WeakPolarHBondContact O-CB 3.26Å; F32-L36 WeakPolarHBondContact O-CG 3.26Å; F32-L36 PolarHBondContact O-N 3.35Å
33R40.8Very low40.9Very low179 Ų179125 Ų12568%0.67564%0.638SS**Hα-helixtrans-77.4-32.7172.2-83.1-173.6134163.8-3.3113.4F29 Q30 L31 G37F29-R33 WeakPolarHBondContact O-CB 3.15Å; F29-R33 WeakPolarHBondContact O-CG 3.37Å; F29-R33 PolarHBondContact O-N 2.85Å; Q30-R33 PolarHBondContact O-N 2.93Å; Q30-R33 VanDerWaalsContact O-N 3.16Å; L31-R33 VanDerWaalsContact C-N 3.27Å; L31-R33 PolarHBondContact O-N 3.17Å; R33-G37 PolarHBondContact O-N 2.88Å
34N47.2Very low40.3Very low87 Ų87131.4 Ų131.447%0.46566%0.664SS.*Hα-helixtrans-72.9-37.7175.7-67.9-31000111.5Q30 L31 L36 G37Q30-N34 VanDerWaalsContact O-CG 3.3Å; Q30-N34 PolarHBondContact O-N 2.99Å; Q30-N34 PolarHBondContact O-ND2 2.91Å; L31-N34 PolarHBondContact O-N 3.49Å; L31-N34 VanDerWaalsContact O-N 3.08Å; N34-L36 VanDerWaalsContact C-N 3.31Å; N34-L36 PolarHBondContact O-N 3.25Å; N34-G37 PolarHBondContact O-N 3.1Å
35D43.8Very low39.8Very low133 Ų133133.3 Ų133.371%0.71168%0.684SS**Hα-helixtrans-71.5-22.2177-69-13.2000113.3L31L31-D35 PolarHBondContact O-N 3.44Å
36L39.3Very low39.4Very low130 Ų130141 Ų14168%0.68170%0.7SS**THydrogen-bonded Turntrans-99.78.9175-73.7174.3000113.7F32 N34F32-L36 HydrophobicContact CD1-CD1 4.01Å; F32-L36 HydrophobicContact CD2-CD1 4.37Å; F32-L36 HydrophobicContact CE1-CD1 3.53Å; F32-L36 HydrophobicContact CE2-CD1 3.93Å; F32-L36 HydrophobicContact CG-CD1 4.41Å; F32-L36 HydrophobicContact CZ-CD1 3.49Å; F32-L36 VanDerWaalsContact CZ-CD1 3.49Å; F32-L36 WeakPolarHBondContact O-CB 3.26Å; F32-L36 WeakPolarHBondContact O-CG 3.26Å; F32-L36 PolarHBondContact O-N 3.35Å; N34-L36 VanDerWaalsContact C-N 3.31Å; N34-L36 PolarHBondContact O-N 3.25Å
37G38.6Very low38.9Very low59 Ų59144 Ų14461%0.60871%0.71SS**SBendtrans-129.619.6-169.500000115.3R33 N34R33-G37 PolarHBondContact O-N 2.88Å; N34-G37 PolarHBondContact O-N 3.1Å
38R36.9Very low37.9Very low213 Ų213146.4 Ų146.480%0.80473%0.726SS**SBendtrans-126.1150.9176.5-70.9-172175.3-168.7-1.5111.6
39D33Very low37.1Very low160 Ų160147.7 Ų147.786%0.85674%0.737SS**  trans-56.9137.1-156.3-69.5-81.1000116.5Q41D39-Q41 PolarHBondContact O-N 3.27Å
40V30.2Very low36.6Very low141 Ų141147.9 Ų147.986%0.85575%0.748SS**  trans-76.4102154.91750000107.5
41Q30.5Very low35.8Very low184 Ų184152.6 Ų152.686%0.8676%0.761SS**  trans-165154142-79.1-136.2-2.500111.2D39D39-Q41 PolarHBondContact O-N 3.27Å
42A34.1Very low34.9Very low95 Ų95156.7 Ų156.779%0.78578%0.777SS**  trans79.6148.816700000120.3
43E34.3Very low34.2Very low198 Ų198158.2 Ų158.293%0.92579%0.791SS**  trans67.4104.3167.8-52.1-153128.600119.7
44E31Very low33.6Very low192 Ų192155.9 Ų155.990%0.89780%0.796SS**  trans-96.4164.5171.8-55.7174.6107.700112.1
45A33.4Very low32.6Very low91 Ų91160.3 Ų160.375%0.75281%0.814SS**  trans80.3148.5147.300000121.4
46R33.4Very low31.7Very low244 Ų244161.5 Ų161.592%0.92182%0.819SS**  trans70.9145.1173.7-61.6175.3174154.1-0.9114.6
47E35.2Very low31Very low173 Ų173161.2 Ų161.281%0.80882%0.818SS**  cis-125.1148.520.1-62.6175.4138.200114.4
48D31.1Very low30.2Very low157 Ų157164.3 Ų164.384%0.8483%0.828SS**  trans-89.9147.7159.4-85.2-59.3000109.9
49F30.1Very low29.6Very low198 Ų198161.9 Ų161.987%0.86883%0.826SS**  trans-113.3122.3167.1-119.7-91000111.1
50V31.6Very low29.3Very low129 Ų129166.5 Ų166.578%0.78283%0.831SS**  trans-83.2160.7-175.4176.90000111.3
51R27.3Very low28.9Very low221 Ų221164.9 Ų164.983%0.83483%0.832SS**  trans-65.5148.2-178.6-54170.3-176.4161.90.3112.5
52E31.3Very low28.6Very low183 Ų183159 Ų15986%0.85582%0.822SS**  trans-104.6145.4145.7-69-170132.800109.9
53N25.2Very low28.1Very low156 Ų156164.6 Ų164.683%0.83483%0.828SS**  trans-94.5127.4170.1-80.2-26.3000109
54V27.6Very low27.6Very low129 Ų129167.2 Ų167.278%0.78283%0.83SS**  trans-131113.9173.9-1800000109
55Q26.7Very low27.4Very low180 Ų180165.1 Ų165.184%0.84182%0.823SS**  trans-84.8-172.9161.5-69.1-176.6-92.400109.6
56I23.9Very low27.1Very low158 Ų158169.7 Ų169.781%0.8183%0.829SS**  trans84.4129.8-173.8-52.2158.6000110.8
57D24.7Very low26.9Very low125 Ų125166 Ų16667%0.66882%0.822SS**  cis-147.1164.2-4.2-124.2-8.7000110.9E59D57-E59 PolarHBondContact O-N 2.78Å
58P22.9Very low26.9Very low124 Ų124163.7 Ų163.781%0.80582%0.822SS**  trans-92.832-177.738.3-33.9000115
59E24.4Very low26.9Very low162 Ų162165.1 Ų165.176%0.75782%0.824SS**  trans-114.786.5179.5-71.6-150.9140.100114.3D57D57-E59 PolarHBondContact O-N 2.78Å
60W25.8Very low27.7Very low257 Ų257159.2 Ų159.297%0.97381%0.807SS**  trans-139.491.8160.6-77.192000111.1
61A22.5Very low28.3Very low106 Ų106158.4 Ų158.488%0.87680%0.795SS**  trans-115.4139175.300000111.3
62G23.5Very low29Very low62 Ų62151.9 Ų151.964%0.63978%0.777SS**  trans138.2147.4-172.500000109.7
63F24.4Very low29.6Very low211 Ų211149.8 Ų149.893%0.92577%0.771SS**  cis-136.4178.112.8-73.9-91.9000112.1
64R24.5Very low30.5Very low253 Ų253149.1 Ų149.196%0.95576%0.76SS**  trans-85.7161.3-179.3-67.2-177.3178.6178.6-0.2113
65I25.9Very low31.4Very low148 Ų148151.8 Ų151.876%0.75976%0.756SS**  trans-94.9150.3-179.8-64.3164.6000110.9
66Q27.1Very low31.9Very low188 Ų188148.6 Ų148.688%0.87975%0.745SS**  trans-117.3143.7153.8-76-174.3-21.300109.2
67E29.8Very low32.5Very low167 Ų167145.5 Ų145.578%0.7874%0.742SS**  trans-93.8127.9-178.6-64.1-174.5147.300111.8
68P34.2Very low33.4Very low124 Ų124143.5 Ų143.581%0.80574%0.743SS**  trans-81.2122.9167.4-3.121000110.2
69Q31.4Very low34Very low186 Ų186143.7 Ų143.787%0.86974%0.737SS**  trans-93.3114.7173-62.5-172.8-100110.8
70S47.2Very low34.4Very low75 Ų75145.3 Ų145.352%0.52474%0.741SS.*  trans-150.4154.7158.597.70000111.9D72S70-D72 VanDerWaalsContact C-N 3.27Å; S70-D72 WeakPolarHBondContact CB-OD2 3.38Å; S70-D72 PolarHBondContact O-N 2.86Å; S70-D72 PolarHBondContact OG-OD2 2.96Å
71E44.9Very low35Very low111 Ų111138.5 Ų138.552%0.51973%0.733SS.*THydrogen-bonded Turntrans-83.1-2-173.2-165.967149.200113.4L73 K74E71-L73 VanDerWaalsContact C-N 3.27Å; E71-L73 PolarHBondContact O-N 3.36Å; E71-K74 PolarHBondContact O-N 3.44Å; E71-K74 WeakPolarHBondContact OE1-CD 3.46Å; E71-K74 IonicContact OE1-NZ 2.67Å; E71-K74 PolarHBondContact OE1-NZ 2.81Å; E71-K74 WeakPolarHBondContact OE2-CD 3.22Å; E71-K74 WeakPolarHBondContact OE2-CE 3.36Å; E71-K74 IonicContact OE2-NZ 2.65Å; E71-K74 PolarHBondContact OE2-NZ 2.82Å
72D40.7Very low35.6Very low84 Ų84140.6 Ų140.645%0.44973%0.729SS.*Hα-helixtrans-68.1-26.5-172-56.9-66.5000113S70 K74 R75S70-D72 VanDerWaalsContact C-N 3.27Å; S70-D72 WeakPolarHBondContact CB-OD2 3.38Å; S70-D72 PolarHBondContact O-N 2.86Å; S70-D72 PolarHBondContact OG-OD2 2.96Å; D72-K74 VanDerWaalsContact C-N 3.27Å; D72-K74 PolarHBondContact O-N 3.46Å; D72-R75 PolarHBondContact O-N 3.16Å; D72-R75 VanDerWaalsContact O-N 3.16Å; D72-R75 IonicContact OD1-NH1 3.96Å; D72-R75 PolarHBondContact OD1-NH1 3.02Å
73L44.5Very low36.3Very low140 Ų140146.9 Ų146.973%0.73374%0.742SS**Hα-helixtrans-62.1-31.1172.4-73.6169.9000112.8E71 R75E71-L73 VanDerWaalsContact C-N 3.27Å; E71-L73 PolarHBondContact O-N 3.36Å; L73-R75 VanDerWaalsContact C-N 3.33Å; L73-R75 PolarHBondContact O-N 3.21Å
74K43Very low36.6Very low142 Ų142143.2 Ų143.262%0.61774%0.737SS**Hα-helixtrans-72.3-25.9176.6-64.2-166.4-170.6129.90112.7E71 D72E71-K74 PolarHBondContact O-N 3.44Å; E71-K74 WeakPolarHBondContact OE1-CD 3.46Å; E71-K74 IonicContact OE1-NZ 2.67Å; E71-K74 PolarHBondContact OE1-NZ 2.81Å; E71-K74 WeakPolarHBondContact OE2-CD 3.22Å; E71-K74 WeakPolarHBondContact OE2-CE 3.36Å; E71-K74 IonicContact OE2-NZ 2.65Å; E71-K74 PolarHBondContact OE2-NZ 2.82Å; D72-K74 VanDerWaalsContact C-N 3.27Å; D72-K74 PolarHBondContact O-N 3.46Å
75R46.9Very low37.1Very low184 Ų184137.3 Ų137.369%0.69472%0.724SS**Hα-helixtrans-72.8-31.5178.9-71175.6165.6152.7-6.9112.9D72 L73 A77 A78D72-R75 PolarHBondContact O-N 3.16Å; D72-R75 VanDerWaalsContact O-N 3.16Å; D72-R75 IonicContact OD1-NH1 3.96Å; D72-R75 PolarHBondContact OD1-NH1 3.02Å; L73-R75 VanDerWaalsContact C-N 3.33Å; L73-R75 PolarHBondContact O-N 3.21Å; R75-A77 VanDerWaalsContact C-N 3.28Å; R75-A77 PolarHBondContact O-N 3.16Å; R75-A78 PolarHBondContact O-N 3.29Å
76L38.5Very low37.3Very low114 Ų114134.7 Ų134.760%0.59772%0.724SS**Hα-helixtrans-69.2-22.7-179.3-82.4162000114A78L76-A78 VanDerWaalsContact C-N 3.29Å; L76-A78 PolarHBondContact O-N 2.96Å
77A36.8Very low37.5Very low92 Ų92133.8 Ų133.876%0.7672%0.72SS**THydrogen-bonded Turntrans-74.5-12.4179.800000114.5R75R75-A77 VanDerWaalsContact C-N 3.28Å; R75-A77 PolarHBondContact O-N 3.16Å
78A42.3Very low37.5Very low83 Ų83129 Ų12969%0.68672%0.715SS**THydrogen-bonded Turntrans-89.3-7.5-167.700000115.8R75 L76R75-A78 PolarHBondContact O-N 3.29Å; L76-A78 VanDerWaalsContact C-N 3.29Å; L76-A78 PolarHBondContact O-N 2.96Å
79L35.7Very low37.2Very low129 Ų129130.7 Ų130.768%0.67572%0.717SS**  trans-111.390.5-169.5-76.3166.7000113.4
80K32.9Very low37.2Very low195 Ų195130.7 Ų130.785%0.84872%0.717SS**  trans-92.6147.4157.9-68.9-175.8177.5-1770110.3
81S38.8Very low36.1Very low114 Ų114134.1 Ų134.180%0.79773%0.726SS**  trans-159.1135.616458.90000108.9
82D34.7Very low35.2Very low150 Ų150137.7 Ų137.780%0.80274%0.741SS**  trans-95.6-177.9-169.6-62.2-77.7000114.2
83E38.5Very low34.5Very low194 Ų194143.7 Ų143.791%0.90776%0.763SS**  trans77.3145.9161.2-67.8-174.4168.200121.1
84V30Very low33.6Very low135 Ų135140.7 Ų140.782%0.81876%0.758SS**  trans-146.6128.2-167.9172.30000107.6
85D35Very low32.9Very low128 Ų128140.3 Ų140.368%0.68476%0.762SS**  trans-100.1132.8161.6177.220.7000109.9H87D85-H87 PolarHBondContact OD1-N 3.39Å
86A29.7Very low32.1Very low93 Ų93137.1 Ų137.177%0.76977%0.765SS**  trans-108.3-2.2-163.400000114.4
87H32.2Very low31.6Very low170 Ų170139.2 Ų139.279%0.78778%0.776SS**  trans-93.43.5-162.9-137.8-60.3000116.8D85D85-H87 PolarHBondContact OD1-N 3.39Å
88G29.4Very low31.2Very low66 Ų66139.8 Ų139.868%0.6878%0.775SS**  trans-10820-160.100000119.3
89L28.1Very low30.9Very low160 Ų160143.1 Ų143.184%0.83879%0.786SS**  trans-134.739.6-169.8-74.7174.6000115.7
90Q30.6Very low30.9Very low186 Ų186144.9 Ų144.987%0.86979%0.791SS**SBendtrans-113.527.2-179.8-147.5172.823.400114.4
91M25.9Very low31Very low147 Ų147142.9 Ų142.972%0.72479%0.79SS**  trans-136.7168.5-179.8-74.9-79.3-83.800110.6
92F24.7Very low30.9Very low186 Ų186147 Ų14782%0.81680%0.797SS**  trans82.624173.5-56.1-78.3000119.2
93F26.5Very low31.1Very low209 Ų209149.6 Ų149.692%0.91780%0.801SS**  trans-104100.4161.9-71.1-74.2000111.7
94A25.5Very low31Very low77 Ų77146.2 Ų146.264%0.63680%0.795SS**  trans-153120.416400000110.4R148A94-R148 PolarHBondContact O-NH2 3.01Å; A94-R148 VanDerWaalsContact O-NH2 3.17Å
95I28.8Very low31.4Very low135 Ų135148.3 Ų148.369%0.69280%0.801SS**  trans-147.1126.3142.1-56.8-174.8000103.3
96P28.6Very low31.5Very low117 Ų117147.8 Ų147.876%0.7681%0.807SS**  trans-78.8162.317833.4-35.2000112
97D28.2Very low32.1Very low157 Ų157151.2 Ų151.284%0.8481%0.811SS**  trans-77.4-180174.5-60.8-68.2000113.3
98S29.8Very low31.9Very low105 Ų105152.4 Ų152.473%0.73482%0.817SS**  trans73.6106.8170.876.10000120.6
99V35.8Very low32.1Very low152 Ų152153.6 Ų153.692%0.92182%0.82SS**  -133.4140.5119.3-178.70000106.3
100E34.6Very low32.3Very low166 Ų166151.2 Ų151.278%0.77682%0.815SS**  trans-95.9147.1-164.3-62.8177.7148.600115.1
101D34.8Very low32.3Very low154 Ų154148.2 Ų148.282%0.82481%0.811SS**  trans49.2114.9141.9-67.910.9000123.6
102E38.3Very low32.7Very low201 Ų201149.7 Ų149.794%0.93981%0.81SS**  trans-122.4155.5137.1-76.7-159.5140.800110.7
103K38.5Very low33.4Very low204 Ų204144.5 Ų144.589%0.88779%0.791SS**  trans-81159-162-96.8-177.1175.1175.10115.7
104P35.9Very low33.6Very low122 Ų122141 Ų14179%0.79278%0.779SS**  trans-83.9155.4-166.234-37.4000114.8
105L39.1Very low34.2Very low180 Ų180139.7 Ų139.794%0.94276%0.763SS**  trans-116.7128161.4-82164.4000109.1
106S37.3Very low34.7Very low116 Ų116135 Ų13581%0.81174%0.741SS**  trans-92.3119.5-171.855.30000113.2
107I40.6Very low35.1Very low165 Ų165133.4 Ų133.485%0.84673%0.726SS**  trans-146.6132.2146.1-89.9138.9000105.7A109I107-A109 PolarHBondContact O-N 2.76Å; I107-A109 VanDerWaalsContact O-N 3.14Å
108E29.7Very low35.4Very low195 Ų195132.8 Ų132.891%0.91172%0.722SS**  trans-78.699.8-171.2-63.6-174.2153.900112.2P110E108-P110 WeakPolarHBondContact O-CD 3.48Å
109A33.3Very low35.7Very low91 Ų91137.4 Ų137.475%0.75273%0.729SS**  trans-95.3109.3165.800000109.6I107I107-A109 PolarHBondContact O-N 2.76Å; I107-A109 VanDerWaalsContact O-N 3.14Å
110P31.5Very low36.1Very low111 Ų111134.2 Ų134.272%0.72171%0.71SS**  trans-67.8152.9-179.827.7-34.7000111.9E108 Y112E108-P110 WeakPolarHBondContact O-CD 3.48Å; P110-Y112 PolarHBondContact O-N 2.86Å
111P31.7Very low36.5Very low123 Ų123129 Ų12980%0.79970%0.701SS**  trans-61.2135.3-177.724.2-33.8000112.3N113P111-N113 PolarHBondContact O-N 3.34Å
112Y34.4Very low36.6Very low178 Ų178126.1 Ų126.170%0.69869%0.688SS**  trans-57.2104.3-174.1-179.4-100.7000112.8P110 M114 L118P110-Y112 PolarHBondContact O-N 2.86Å; Y112-M114 HydrophobicContact CD1-CG 3.67Å; Y112-M114 HydrophobicContact CE1-CG 3.75Å; Y112-M114 PolarHBondContact O-N 2.83Å; Y112-M114 VanDerWaalsContact O-N 3.08Å; Y112-L118 HydrophobicContact CE2-CD1 3.93Å
113N37.9Very low36.4Very low77 Ų77124.4 Ų124.441%0.41267%0.673SS.*  trans-81.389.1-174.3-179.11.2000111.7P111 V115 T116P111-N113 PolarHBondContact O-N 3.34Å; N113-V115 PolarHBondContact O-N 3.34Å; N113-V115 WeakPolarHBondContact OD1-CG2 3.13Å; N113-V115 PolarHBondContact OD1-N 2.61Å; N113-T116 PolarHBondContact ND2-OG1 3Å; N113-T116 PolarHBondContact O-N 2.55Å
114M31.7Very low36.3Very low134 Ų134118.6 Ų118.666%0.6666%0.657SS**THydrogen-bonded Turntrans-61.4-12.2-177.1-57-160.2-54.900115.7Y112Y112-M114 HydrophobicContact CD1-CG 3.67Å; Y112-M114 HydrophobicContact CE1-CG 3.75Å; Y112-M114 PolarHBondContact O-N 2.83Å; Y112-M114 VanDerWaalsContact O-N 3.08Å
115V38.6Very low36.3Very low50 Ų50119.5 Ų119.530%0.30365%0.651SS.*THydrogen-bonded Turntrans-984.8175.2-70.20000113.1N113 R123 C124 F127N113-V115 PolarHBondContact O-N 3.34Å; N113-V115 WeakPolarHBondContact OD1-CG2 3.13Å; N113-V115 PolarHBondContact OD1-N 2.61Å; V115-R123 HydrophobicContact CG2-CG 4.39Å; V115-R123 CarbonylContact O-C 3.46Å; V115-R123 WeakPolarHBondContact O-CA 3.48Å; V115-C124 WeakPolarHBondContact CB-O 3.41Å; V115-C124 PolarHBondContact O-N 2.8Å; V115-F127 HydrophobicContact CG1-CB 4.49Å
116T38.3Very low36.1Very low37 Ų37115 Ų11523%0.22763%0.634CS.*BIsolated β-bridgetrans-120129.1176.6-64.30000112.1N113 L118 G121 V122N113-T116 PolarHBondContact ND2-OG1 3Å; N113-T116 PolarHBondContact O-N 2.55Å; T116-L118 PolarHBondContact O-N 2.87Å; T116-G121 WeakPolarHBondContact CG2-O 3.34Å; T116-V122 WeakPolarHBondContact CA-O 3.21Å
117N37.9Very low35.7Very low83 Ų83114.5 Ų114.544%0.44462%0.618SS.*  trans-76.2114.8178.5-179.7-21.5000111.4K119 T120 G121 V122N117-K119 PolarHBondContact O-N 2.82Å; N117-K119 VanDerWaalsContact O-N 3.08Å; N117-K119 PolarHBondContact OD1-N 3.13Å; N117-T120 WeakPolarHBondContact CB-OG1 3.19Å; N117-T120 VanDerWaalsContact CG-OG1 3.26Å; N117-T120 PolarHBondContact ND2-OG1 2.86Å; N117-T120 PolarHBondContact O-N 3.15Å; N117-T120 VanDerWaalsContact O-N 3.12Å; N117-G121 PolarHBondContact O-N 3.18Å; N117-V122 PolarHBondContact N-O 3.22Å
118L34.2Very low35.4Very low145 Ų145110.9 Ų110.976%0.75961%0.607SS**THydrogen-bonded Turntrans-62.5-13-177.9-67.3172.5000115.5Y112 T116Y112-L118 HydrophobicContact CE2-CD1 3.93Å; T116-L118 PolarHBondContact O-N 2.87Å
119K34.8Very low35.4Very low202 Ų202110.8 Ų110.888%0.87860%0.598SS**THydrogen-bonded Turntrans-97.6-18.7174.9-94.8-169.9172.2-172.20114.5N117N117-K119 PolarHBondContact O-N 2.82Å; N117-K119 VanDerWaalsContact O-N 3.08Å; N117-K119 PolarHBondContact OD1-N 3.13Å
120T45.1Very low35.2Very low85 Ų85109.5 Ų109.552%0.52159%0.588SS.*THydrogen-bonded Turntrans-132.3-9-169.965.70000114.4N117 V122N117-T120 WeakPolarHBondContact CB-OG1 3.19Å; N117-T120 VanDerWaalsContact CG-OG1 3.26Å; N117-T120 PolarHBondContact ND2-OG1 2.86Å; N117-T120 PolarHBondContact O-N 3.15Å; N117-T120 VanDerWaalsContact O-N 3.12Å; T120-V122 PolarHBondContact O-N 2.8Å; T120-V122 VanDerWaalsContact O-N 3.1Å; T120-V122 WeakPolarHBondContact OG1-CG2 3.27Å; T120-V122 PolarHBondContact OG1-N 2.76Å
121G42.3Very low35.1Very low57 Ų57111 Ų11159%0.58858%0.583SS**  trans71-7.1-174.400000114.7T116 N117 R123T116-G121 WeakPolarHBondContact CG2-O 3.34Å; N117-G121 PolarHBondContact O-N 3.18Å; G121-R123 PolarHBondContact O-N 3.29Å
122V36.8Very low35Very low93 Ų93114 Ų11456%0.56458%0.579SS**  trans-65.5130.9-175.5177.20000110.8T116 N117 T120T116-V122 WeakPolarHBondContact CA-O 3.21Å; N117-V122 PolarHBondContact N-O 3.22Å; T120-V122 PolarHBondContact O-N 2.8Å; T120-V122 VanDerWaalsContact O-N 3.1Å; T120-V122 WeakPolarHBondContact OG1-CG2 3.27Å; T120-V122 PolarHBondContact OG1-N 2.76Å
123R35.5Very low34.9Very low165 Ų165113.5 Ų113.562%0.62358%0.577SS**BIsolated β-bridgetrans-104.1137.7-179.7-162.6-178.3-165-163.77.6110.2V115 G121V115-R123 HydrophobicContact CG2-CG 4.39Å; V115-R123 CarbonylContact O-C 3.46Å; V115-R123 WeakPolarHBondContact O-CA 3.48Å; G121-R123 PolarHBondContact O-N 3.29Å
124C36.6Very low34.4Very low81 Ų81114.1 Ų114.155%0.54758%0.579SS.*  trans-122.7122.1-173.5-175.20000112.4V115V115-C124 WeakPolarHBondContact CB-O 3.41Å; V115-C124 PolarHBondContact O-N 2.8Å
125E34.3Very low34.4Very low141 Ų141109.4 Ų109.466%0.65956%0.559SS**  trans-97.4-1.3-157.5-53.9-156.6134.500116.1
126S35.1Very low34.3Very low85 Ų85108.9 Ų108.959%0.59456%0.558SS**  trans-131.450.7-173.2-156.50000115.3S128S126-S128 PolarHBondContact O-N 3.18Å
127F30.4Very low34.3Very low107 Ų107115.5 Ų115.547%0.46958%0.578SS.*Hα-helixtrans-67.22.1173.1-142.5-93.9000114V115 K131V115-F127 HydrophobicContact CG1-CB 4.49Å; F127-K131 WeakPolarHBondContact O-CB 3.19Å
128S33.1Very low34.3Very low89 Ų89117.7 Ų117.762%0.62259%0.586SS**Hα-helixtrans-87.3-25.6-163.7-54.40000115.4S126S126-S128 PolarHBondContact O-N 3.18Å
129R30.9Very low34.5Very low192 Ų192111.9 Ų111.973%0.72556%0.556SS**Hα-helixtrans-97.8-38.7178-81.8179.9168.3172.4-4112.9K131 R132 Y133R129-K131 VanDerWaalsContact C-N 3.28Å; R129-K131 PolarHBondContact O-N 2.98Å; R129-R132 WeakPolarHBondContact O-CB 3.33Å; R129-R132 PolarHBondContact O-N 2.81Å; R129-Y133 WeakPolarHBondContact O-CE2 3.1Å
130A27.5Very low34.6Very low65 Ų65104.8 Ų104.854%0.53753%0.529SS..Hα-helixtrans-61.6-33.7177.900000113.3R132 Y133A130-R132 PolarHBondContact O-N 3.21Å; A130-Y133 PolarHBondContact O-N 3.25Å
131K30.8Very low34.2Very low143 Ų143106.4 Ų106.462%0.62253%0.526SS*.THydrogen-bonded Turntrans-56-16.1178.8-157.5171.5-171.5174.90114.7F127 R129F127-K131 WeakPolarHBondContact O-CB 3.19Å; R129-K131 VanDerWaalsContact C-N 3.28Å; R129-K131 PolarHBondContact O-N 2.98Å
132R29.8Very low34.1Very low186 Ų186105.8 Ų105.870%0.70252%0.515SS*.THydrogen-bonded Turntrans-80.5-11.3177.1-57.1-179.9-176.2-155.8-3.8114.1R129 A130R129-R132 WeakPolarHBondContact O-CB 3.33Å; R129-R132 PolarHBondContact O-N 2.81Å; A130-R132 PolarHBondContact O-N 3.21Å
133Y30.5Very low34.2Very low167 Ų167103.1 Ų103.166%0.65550%0.501SS*.THydrogen-bonded Turntrans-118-10.2-169.7-57.3-72.5000114.8R129 A130 K343R129-Y133 WeakPolarHBondContact O-CE2 3.1Å; A130-Y133 PolarHBondContact O-N 3.25Å; Y133-K343 WeakPolarHBondContact O-CD 3.3Å; Y133-K343 WeakPolarHBondContact O-CE 3.4Å; Y133-K343 PolarHBondContact O-NZ 3.32Å
134L28.6Very low34.4Very low89 Ų8998 Ų9847%0.46649%0.485SS..SBendtrans-57163.2166.8-69.9169000111.1S136 K343L134-S136 PolarHBondContact O-N 3.08Å; L134-S136 VanDerWaalsContact O-N 3.14Å; L134-K343 PolarHBondContact O-NZ 3.14Å
135P31.2Very low34.3Very low36 Ų3696.3 Ų96.323%0.23448%0.482CS..SBendtrans-55.5119.5158.2-16.330.4000106.9L139 V140 F340P135-L139 HydrophobicContact CB-CD2 4.34Å; P135-V140 HydrophobicContact CB-CG2 4.36Å; P135-F340 HydrophobicContact CG-CD2 4.35Å; P135-F340 HydrophobicContact CG-CE2 4.4Å
136S36.4Very low34.4Very low39 Ų3996.9 Ų96.927%0.27348%0.482SS..PPolyproline II helixtrans-66161.8-167.1790000111.3L134 E138 L139 V140L134-S136 PolarHBondContact O-N 3.08Å; L134-S136 VanDerWaalsContact O-N 3.14Å; S136-E138 WeakPolarHBondContact CB-OE2 3.47Å; S136-E138 PolarHBondContact O-N 3.44Å; S136-E138 VanDerWaalsContact OG-CD 3.28Å; S136-E138 PolarHBondContact OG-N 3.22Å; S136-E138 PolarHBondContact OG-OE2 3.09Å; S136-L139 PolarHBondContact O-N 2.98Å; S136-L139 PolarHBondContact OG-N 2.78Å; S136-V140 PolarHBondContact O-N 2.85Å
137R38.7Very low34.5Very low175 Ų17594.5 Ų94.566%0.6646%0.461SS*.Hα-helixtrans-58-34.4175.5-151.2-177169-165-8.3109.4Y141R137-Y141 HydrophobicContact CG-CD2 3.94Å; R137-Y141 HydrophobicContact CG-CE2 3.53Å; R137-Y141 VanDerWaalsContact NE-CE2 3.27Å; R137-Y141 PolarHBondContact NE-OH 2.97Å; R137-Y141 VanDerWaalsContact NE-OH 3.07Å; R137-Y141 PolarHBondContact NH2-OH 2.92Å; R137-Y141 WeakPolarHBondContact O-CB 3.49Å; R137-Y141 VanDerWaalsContact O-CD2 3.28Å; R137-Y141 WeakPolarHBondContact O-CD2 3.49Å; R137-Y141 PolarHBondContact O-N 2.83Å
138E37.2Very low34.9Very low129 Ų12995.5 Ų95.560%0.60346%0.462SS*.Hα-helixtrans-70.9-29.5172.3-36.475.6-108.300114.4S136 Y141 A142S136-E138 WeakPolarHBondContact CB-OE2 3.47Å; S136-E138 PolarHBondContact O-N 3.44Å; S136-E138 VanDerWaalsContact OG-CD 3.28Å; S136-E138 PolarHBondContact OG-N 3.22Å; S136-E138 PolarHBondContact OG-OE2 3.09Å; E138-Y141 CarbonylContact O-C 3.51Å; E138-A142 WeakPolarHBondContact O-CA 3.44Å; E138-A142 WeakPolarHBondContact O-CB 3.48Å; E138-A142 PolarHBondContact O-N 2.89Å
139L39.2Very low35.4Very low24 Ų2494.5 Ų94.513%0.12645%0.449CS..Hα-helixtrans-73-43.8175.2-168.6157.6000110.7P135 S136 A142 S143 L336P135-L139 HydrophobicContact CB-CD2 4.34Å; S136-L139 PolarHBondContact O-N 2.98Å; S136-L139 PolarHBondContact OG-N 2.78Å; L139-A142 PolarHBondContact O-N 2.8Å; L139-S143 PolarHBondContact O-N 2.83Å; L139-S143 PolarHBondContact O-OG 2.88Å; L139-L336 HydrophobicContact CD1-CB 4.15Å; L139-L336 HydrophobicContact CD1-CD2 3.94Å; L139-L336 HydrophobicContact CG-CB 4.27Å; L139-L336 HydrophobicContact CG-CD1 4.29Å; L139-L336 HydrophobicContact CG-CD2 3.99Å; L139-L336 HydrophobicContact CG-CG 4.38Å
140V36.6Very low35.6Very low53 Ų5390.1 Ų90.132%0.32144%0.439SS..Hα-helixtrans-63.4-45.5173.1175.40000110P135 S136 S143 I144P135-V140 HydrophobicContact CB-CG2 4.36Å; S136-V140 PolarHBondContact O-N 2.85Å; V140-S143 PolarHBondContact O-N 2.9Å; V140-I144 HydrophobicContact CG1-CD1 3.59Å; V140-I144 WeakPolarHBondContact O-CB 3.23Å; V140-I144 WeakPolarHBondContact O-CG1 3.49Å; V140-I144 PolarHBondContact O-N 2.8Å
141Y37.8Very low36.1Very low119 Ų11995.3 Ų95.347%0.46745%0.452SS..Hα-helixtrans-78-19.6175.6-65.8-27.1000115.2R137 E138 S143 G145R137-Y141 HydrophobicContact CG-CD2 3.94Å; R137-Y141 HydrophobicContact CG-CE2 3.53Å; R137-Y141 VanDerWaalsContact NE-CE2 3.27Å; R137-Y141 PolarHBondContact NE-OH 2.97Å; R137-Y141 VanDerWaalsContact NE-OH 3.07Å; R137-Y141 PolarHBondContact NH2-OH 2.92Å; R137-Y141 WeakPolarHBondContact O-CB 3.49Å; R137-Y141 VanDerWaalsContact O-CD2 3.28Å; R137-Y141 WeakPolarHBondContact O-CD2 3.49Å; R137-Y141 PolarHBondContact O-N 2.83Å; E138-Y141 CarbonylContact O-C 3.51Å; Y141-S143 PolarHBondContact O-N 2.86Å; Y141-G145 WeakPolarHBondContact O-CA 3.32Å; Y141-G145 PolarHBondContact O-N 2.96Å
142A38.5Very low36.4Very low43 Ų4390.4 Ų90.436%0.35544%0.438SS..Hα-helixtrans-71.7-25.317000000111.2E138 L139 K146E138-A142 WeakPolarHBondContact O-CA 3.44Å; E138-A142 WeakPolarHBondContact O-CB 3.48Å; E138-A142 PolarHBondContact O-N 2.89Å; L139-A142 PolarHBondContact O-N 2.8Å; A142-K146 WeakPolarHBondContact O-CD 3.46Å; A142-K146 WeakPolarHBondContact O-CG 3.43Å
143S39Very low37.7Very low38 Ų3887.4 Ų87.427%0.26644%0.441SS..Hα-helixtrans-89.8-44.4177.1-50.90000111.8L139 V140 Y141L139-S143 PolarHBondContact O-N 2.83Å; L139-S143 PolarHBondContact O-OG 2.88Å; V140-S143 PolarHBondContact O-N 2.9Å; Y141-S143 PolarHBondContact O-N 2.86Å
144I39.3Very low39.5Very low56 Ų5684.5 Ų84.529%0.28743%0.433SS..Hα-helixtrans-92.5-37.7-177-60.8168.1000112.4V140 K146 F147 P258V140-I144 HydrophobicContact CG1-CD1 3.59Å; V140-I144 WeakPolarHBondContact O-CB 3.23Å; V140-I144 WeakPolarHBondContact O-CG1 3.49Å; V140-I144 PolarHBondContact O-N 2.8Å; I144-K146 VanDerWaalsContact C-N 3.28Å; I144-K146 PolarHBondContact O-N 3.35Å; I144-F147 CarbonylContact O-C 3.54Å; I144-F147 VanDerWaalsContact O-C 3.28Å; I144-F147 VanDerWaalsContact O-CA 3.24Å; I144-F147 WeakPolarHBondContact O-CA 3.36Å; I144-F147 WeakPolarHBondContact O-CB 3.45Å; I144-F147 PolarHBondContact O-N 2.99Å; I144-P258 HydrophobicContact CD1-CG 3.54Å; I144-P258 HydrophobicContact CG1-CG 4.38Å
145G35.6Very low41.7Very low46 Ų4681.8 Ų81.847%0.47442%0.42SS..THydrogen-bonded Turntrans-73.4-17179.500000114Y141 F147Y141-G145 WeakPolarHBondContact O-CA 3.32Å; Y141-G145 PolarHBondContact O-N 2.96Å; G145-F147 VanDerWaalsContact C-N 3.27Å
146K36.2Very low44.3Very low153 Ų15382.7 Ų82.767%0.66543%0.426SS*.THydrogen-bonded Turntrans-75.4-16.6160.7-73.8-169.8177.3-170.10113.2A142 I144A142-K146 WeakPolarHBondContact O-CD 3.46Å; A142-K146 WeakPolarHBondContact O-CG 3.43Å; I144-K146 VanDerWaalsContact C-N 3.28Å; I144-K146 PolarHBondContact O-N 3.35Å
147F36.7Very low46.8Very low35 Ų3581 Ų8115%0.15441%0.414CS..  trans-103.360.5-180-168.4-108.6000110.9I144 G145 I149 F172 A174 L175 F262I144-F147 CarbonylContact O-C 3.54Å; I144-F147 VanDerWaalsContact O-C 3.28Å; I144-F147 VanDerWaalsContact O-CA 3.24Å; I144-F147 WeakPolarHBondContact O-CA 3.36Å; I144-F147 WeakPolarHBondContact O-CB 3.45Å; I144-F147 PolarHBondContact O-N 2.99Å; G145-F147 VanDerWaalsContact C-N 3.27Å; F147-I149 HydrophobicContact CD1-CG1 4.09Å; F147-I149 HydrophobicContact CE1-CD1 3.71Å; F147-I149 HydrophobicContact CE1-CG1 3.45Å; F147-I149 VanDerWaalsContact CE1-CG1 3.45Å; F147-I149 HydrophobicContact CZ-CD1 4.21Å; F147-I149 HydrophobicContact CZ-CG1 3.78Å; F147-I149 PolarHBondContact O-N 2.83Å; F147-F172 HydrophobicContact CE1-CD2 4.2Å; F147-F172 HydrophobicContact CE2-CB 3.58Å; F147-F172 HydrophobicContact CE2-CD1 4.01Å; F147-F172 HydrophobicContact CE2-CD2 4.01Å; F147-F172 AromaticContact CE2-CG 3.6Å; F147-F172 HydrophobicContact CE2-CG 3.6Å; F147-F172 HydrophobicContact CZ-CB 3.82Å; F147-F172 AromaticContact CZ-CD1 3.99Å; F147-F172 HydrophobicContact CZ-CD1 3.99Å; F147-F172 AromaticContact CZ-CD2 3.33Å; F147-F172 HydrophobicContact CZ-CD2 3.33Å; F147-F172 HydrophobicContact CZ-CE1 4.41Å; F147-F172 AromaticContact CZ-CE2 3.82Å; F147-F172 HydrophobicContact CZ-CE2 3.82Å; F147-F172 AromaticContact CZ-CG 3.43Å; F147-F172 HydrophobicContact CZ-CG 3.43Å; F147-F172 VanDerWaalsContact CZ-CG 3.43Å; F147-F172 HydrophobicContact CZ-CZ 4.33Å; F147-A174 HydrophobicContact CD2-CB 4.19Å; F147-L175 HydrophobicContact CD1-CD1 4.38Å; F147-L175 HydrophobicContact CD1-CD2 4.44Å; F147-L175 HydrophobicContact CE1-CD1 4.21Å; F147-L175 HydrophobicContact CG-CD2 4.29Å; F147-L175 HydrophobicContact CZ-CD1 4.47Å; F147-F262 HydrophobicContact CE1-CE2 4.4Å; F147-F262 AromaticContact CE1-CZ 3.91Å; F147-F262 HydrophobicContact CE1-CZ 3.91Å
148R39Very low49.3Very low128 Ų12873.8 Ų73.848%0.48339%0.39SS..  trans-69.4114.6162.4-86.7172.3168.6-1267.4107.8A94 L150A94-R148 PolarHBondContact O-NH2 3.01Å; A94-R148 VanDerWaalsContact O-NH2 3.17Å; R148-L150 HydrophobicContact CB-CB 4.4Å; R148-L150 HydrophobicContact CB-CD1 4.05Å; R148-L150 HydrophobicContact CB-CG 4.02Å; R148-L150 HydrophobicContact CG-CD1 4.07Å; R148-L150 HydrophobicContact CG-CG 4.46Å; R148-L150 VanDerWaalsContact NH1-CD1 3.32Å; R148-L150 PolarHBondContact O-N 2.9Å
149I44.9Very low52Low69 Ų6968.1 Ų68.135%0.35436%0.364SS..  trans-78.261.3168.9-44.6176.3000108.7F147 F262 V297F147-I149 HydrophobicContact CD1-CG1 4.09Å; F147-I149 HydrophobicContact CE1-CD1 3.71Å; F147-I149 HydrophobicContact CE1-CG1 3.45Å; F147-I149 VanDerWaalsContact CE1-CG1 3.45Å; F147-I149 HydrophobicContact CZ-CD1 4.21Å; F147-I149 HydrophobicContact CZ-CG1 3.78Å; F147-I149 PolarHBondContact O-N 2.83Å; I149-F262 HydrophobicContact CD1-CE1 4.01Å; I149-V297 HydrophobicContact CG2-CB 4.06Å; I149-V297 HydrophobicContact CG2-CG1 3.95Å; I149-V297 HydrophobicContact CG2-CG2 3.78Å
150L34.9Very low54.6Low99 Ų9969.1 Ų69.152%0.51837%0.368SS..SBendtrans-113.7105.1178.4-65.8178.2000108.3R148 A152R148-L150 HydrophobicContact CB-CB 4.4Å; R148-L150 HydrophobicContact CB-CD1 4.05Å; R148-L150 HydrophobicContact CB-CG 4.02Å; R148-L150 HydrophobicContact CG-CD1 4.07Å; R148-L150 HydrophobicContact CG-CG 4.46Å; R148-L150 VanDerWaalsContact NH1-CD1 3.32Å; R148-L150 PolarHBondContact O-N 2.9Å; L150-A152 PolarHBondContact O-N 2.96Å
151E37.1Very low57.3Low175 Ų17568 Ų6882%0.81836%0.361SS*.SBendtrans48.430161.1-58.7179.116600115.3T153E151-T153 PolarHBondContact O-N 3.35Å
152A38.4Very low59.8Low39 Ų3964 Ų6432%0.32235%0.345SS..  trans-76.496.6-171.200000110.5L150 Q154 T155L150-A152 PolarHBondContact O-N 2.96Å; A152-Q154 PolarHBondContact O-N 2.89Å; A152-Q154 VanDerWaalsContact O-N 3.15Å; A152-T155 WeakPolarHBondContact CB-OG1 3.27Å; A152-T155 PolarHBondContact O-OG1 3.3Å
153T56Low62.2Low123 Ų12368 Ų6876%0.75536%0.356SS*.THydrogen-bonded Turntrans-55.6114.7178.444.50000111E151E151-T153 PolarHBondContact O-N 3.35Å
154Q68.1Low64.4Low106 Ų10666.9 Ų66.950%0.49535%0.351SS..THydrogen-bonded Turntrans53.661.9177.6-61-163.933.200115.6A152 N294 T296A152-Q154 PolarHBondContact O-N 2.89Å; A152-Q154 VanDerWaalsContact O-N 3.15Å; Q154-N294 HydrophobicContact CB-CB 3.89Å; Q154-N294 HydrophobicContact CG-CB 4.42Å; Q154-N294 PolarHBondContact OE1-ND2 3.44Å; Q154-N294 VanDerWaalsContact OE1-ND2 3.16Å; Q154-T296 PolarHBondContact N-OG1 2.83Å; Q154-T296 VanDerWaalsContact N-OG1 3.13Å
155T75.5Confident66.6Low32 Ų3265.6 Ų65.620%0.19635%0.346CS..EExtended strand (participates in β ladder)trans-75.4131171.3-54.50000111.4A152 F172 N294 A295A152-T155 WeakPolarHBondContact CB-OG1 3.27Å; A152-T155 PolarHBondContact O-OG1 3.3Å; T155-F172 HydrophobicContact CG2-CD1 3.79Å; T155-N294 CarbonylContact O-C 3.53Å; T155-N294 WeakPolarHBondContact O-CA 3.47Å; T155-A295 PolarHBondContact N-O 2.84Å; T155-A295 PolarHBondContact O-N 2.72Å
156P86.2Confident69.1Low55 Ų5570.4 Ų70.436%0.35735%0.35SS..EExtended strand (participates in β ladder)trans-61.9134.7174.5-25.435.3000113.5E173P156-E173 HydrophobicContact CB-CB 4.06Å; P156-E173 WeakPolarHBondContact CB-OE2 3.49Å; P156-E173 PolarHBondContact O-N 2.93Å
157I87.3Confident71.6Confident4 Ų465.4 Ų65.42%0.02133%0.332CS..EExtended strand (participates in β ladder)trans-131.3147.6-18055.8154.8000112.2V170 F172 L293 A295 L309I157-V170 HydrophobicContact CB-CB 4.36Å; I157-V170 HydrophobicContact CD1-CB 4.23Å; I157-V170 HydrophobicContact CD1-CG1 3.77Å; I157-V170 HydrophobicContact CG2-CG2 4.37Å; I157-F172 HydrophobicContact CG2-CD1 3.57Å; I157-F172 HydrophobicContact CG2-CE1 3.83Å; I157-F172 HydrophobicContact CG2-CG 4.13Å; I157-L293 HydrophobicContact CD1-CB 4.13Å; I157-L293 HydrophobicContact CG1-CB 3.88Å; I157-L293 VanDerWaalsContact CG1-O 3.23Å; I157-L293 WeakPolarHBondContact CG1-O 3.47Å; I157-L293 PolarHBondContact N-O 2.98Å; I157-A295 HydrophobicContact CD1-CB 3.8Å; I157-A295 HydrophobicContact CG1-CB 4.02Å; I157-A295 HydrophobicContact CG2-CB 4.04Å; I157-L309 HydrophobicContact CD1-CD2 3.95Å
158T92Very high74.3Confident24 Ų2463.8 Ų63.815%0.14733%0.325CS..EExtended strand (participates in β ladder)trans-98.3120.5160.4-56.50000108.9L160 V170 R171 R290 R291T158-L160 HydrophobicContact CG2-CD2 4.19Å; T158-V170 CarbonylContact O-C 3.38Å; T158-V170 VanDerWaalsContact O-CA 3.29Å; T158-V170 WeakPolarHBondContact O-CA 3.32Å; T158-R171 PolarHBondContact N-O 3.23Å; T158-R171 PolarHBondContact O-N 2.94Å; T158-R290 WeakPolarHBondContact CA-O 3.38Å; T158-R291 HydrophobicContact CG2-CG 4.44Å
159L93.4Very high76.9Confident10 Ų1058 Ų585%0.05230%0.303CS..EExtended strand (participates in β ladder)trans-73.7125.7166.5173.773.1000108.8W162 F168 V170 I286 L287 R290 L293L159-W162 HydrophobicContact CD1-CB 4.46Å; L159-W162 HydrophobicContact CD1-CE3 4.1Å; L159-W162 HydrophobicContact CD2-CB 4.49Å; L159-W162 HydrophobicContact CD2-CE3 4.35Å; L159-F168 HydrophobicContact CD1-CB 4.1Å; L159-F168 HydrophobicContact CD1-CD2 3.65Å; L159-F168 HydrophobicContact CD1-CG 4.24Å; L159-V170 HydrophobicContact CD1-CG1 4.42Å; L159-I286 HydrophobicContact CD2-CG2 3.42Å; L159-I286 VanDerWaalsContact CD2-CG2 3.42Å; L159-L287 HydrophobicContact CD2-CD2 4.11Å; L159-R290 HydrophobicContact CB-CB 4.01Å; L159-R290 HydrophobicContact CD2-CB 4.17Å; L159-R290 PolarHBondContact N-O 2.76Å; L159-L293 HydrophobicContact CB-CD1 4.46Å
160L94.5Very high79.2Confident44 Ų4454.7 Ų54.723%0.2329%0.287CS..EExtended strand (participates in β ladder)trans-100.2-49.4-172.7-54.4170.3000112T158 H169 R171 L236 A261T158-L160 HydrophobicContact CG2-CD2 4.19Å; L160-H169 HydrophobicContact CB-CB 4.3Å; L160-H169 HydrophobicContact CD1-CB 4.43Å; L160-H169 PolarHBondContact N-O 2.86Å; L160-R171 HydrophobicContact CD1-CB 4.04Å; L160-R171 HydrophobicContact CD2-CB 4.13Å; L160-R171 HydrophobicContact CG-CB 4.34Å; L160-L236 VanDerWaalsContact CB-O 3.22Å; L160-L236 WeakPolarHBondContact CB-O 3.24Å; L160-A261 HydrophobicContact CD1-CB 3.51Å
161D93Very high81.9Confident31 Ų3150.6 Ų50.617%0.16626%0.264CS..EExtended strand (participates in β ladder)trans-152.7138.4-167.9168.747.4000108.5H163 F168 H169 C238D161-H163 IonicContact OD1-CD2 2.73Å; D161-H163 IonicContact OD1-CE1 3.87Å; D161-H163 IonicContact OD1-NE2 2.67Å; D161-H163 PolarHBondContact OD1-NE2 3.46Å; D161-H163 IonicContact OD2-CD2 3.6Å; D161-H163 PolarHBondContact OD2-CD2 2.74Å; D161-H163 IonicContact OD2-NE2 3.69Å; D161-H163 PolarHBondContact OD2-NE2 2.91Å; D161-F168 CarbonylContact O-C 3.42Å; D161-F168 WeakPolarHBondContact O-CA 3.34Å; D161-F168 WeakPolarHBondContact O-CB 3.34Å; D161-H169 HydrophobicContact CB-CB 4.14Å; D161-H169 PolarHBondContact O-N 3.16Å; D161-H169 IonicContact OD2-CE1 3.76Å; D161-H169 IonicContact OD2-ND1 2.91Å; D161-H169 PolarHBondContact OD2-ND1 3.5Å; D161-C238 HydrophobicContact CB-CB 4.27Å; D161-C238 WeakPolarHBondContact OD2-CA 3.48Å; D161-C238 PolarHBondContact OD2-N 3.05Å
162W90.3Very high84.1Confident35 Ų3542.3 Ų42.313%0.13323%0.226CC..EExtended strand (participates in β ladder)trans-139.5120-163.9172-91.8000111.5L159 P165 F168 I266 E283 I286 L287L159-W162 HydrophobicContact CD1-CB 4.46Å; L159-W162 HydrophobicContact CD1-CE3 4.1Å; L159-W162 HydrophobicContact CD2-CB 4.49Å; L159-W162 HydrophobicContact CD2-CE3 4.35Å; W162-P165 HydrophobicContact CH2-CB 4.44Å; W162-F168 HydrophobicContact CD2-CB 4.32Å; W162-F168 HydrophobicContact CE3-CB 3.52Å; W162-F168 HydrophobicContact CE3-CD1 4.01Å; W162-F168 HydrophobicContact CE3-CD2 4.32Å; W162-F168 AromaticContact CE3-CG 3.72Å; W162-F168 HydrophobicContact CE3-CG 3.72Å; W162-F168 HydrophobicContact CZ3-CB 4.12Å; W162-F168 AromaticContact CZ3-CD1 3.68Å; W162-F168 HydrophobicContact CZ3-CD1 3.68Å; W162-F168 HydrophobicContact CZ3-CD2 4.41Å; W162-F168 HydrophobicContact CZ3-CE1 4.15Å; W162-F168 AromaticContact CZ3-CG 3.84Å; W162-F168 HydrophobicContact CZ3-CG 3.84Å; W162-I266 HydrophobicContact CH2-CD1 4.26Å; W162-E283 PolarHBondContact NE1-OE1 2.89Å; W162-I286 HydrophobicContact CD2-CG2 4.34Å; W162-I286 HydrophobicContact CE3-CG2 3.93Å; W162-I286 HydrophobicContact CH2-CD1 3.46Å; W162-I286 VanDerWaalsContact CH2-CD1 3.46Å; W162-I286 HydrophobicContact CH2-CG2 4.26Å; W162-I286 HydrophobicContact CZ2-CD1 4Å; W162-I286 HydrophobicContact CZ3-CD1 3.98Å; W162-I286 HydrophobicContact CZ3-CG2 3.91Å; W162-L287 HydrophobicContact CB-CD2 4.18Å; W162-L287 HydrophobicContact CG-CD2 4.32Å
163H88.2Confident86.3Confident125 Ų12545.7 Ų45.758%0.57924%0.235SC*.SBendtrans-122.634.7177.4-52.9-103.3000110.1D161 T167D161-H163 IonicContact OD1-CD2 2.73Å; D161-H163 IonicContact OD1-CE1 3.87Å; D161-H163 IonicContact OD1-NE2 2.67Å; D161-H163 PolarHBondContact OD1-NE2 3.46Å; D161-H163 IonicContact OD2-CD2 3.6Å; D161-H163 PolarHBondContact OD2-CD2 2.74Å; D161-H163 IonicContact OD2-NE2 3.69Å; D161-H163 PolarHBondContact OD2-NE2 2.91Å; H163-T167 CarbonylContact C-O 3.53Å; H163-T167 VanDerWaalsContact CA-O 3.32Å; H163-T167 WeakPolarHBondContact CA-O 3.29Å; H163-T167 VanDerWaalsContact CB-O 3.28Å; H163-T167 WeakPolarHBondContact CB-O 3.22Å; H163-T167 PolarHBondContact N-O 2.85Å
164G86.4Confident87.3Confident15 Ų1543.3 Ų43.316%0.15523%0.227CC..SBendtrans85.9179.1-174.700000114.6W166 T167G164-W166 PolarHBondContact O-N 3.26Å; G164-W166 VanDerWaalsContact O-N 3.09Å; G164-T167 CarbonylContact O-C 3.57Å; G164-T167 PolarHBondContact O-N 3.32Å
165P85.6Confident87.9Confident30 Ų3038.7 Ų38.720%0.19521%0.206CC..THydrogen-bonded Turntrans-65.9-18.7-16826.8-36.5000114.5W162 Y265 I266 V269W162-P165 HydrophobicContact CH2-CB 4.44Å; P165-Y265 CarbonylContact O-C 3.59Å; P165-Y265 VanDerWaalsContact O-CA 3.27Å; P165-Y265 WeakPolarHBondContact O-CA 3.03Å; P165-I266 HydrophobicContact CB-CB 4.35Å; P165-I266 HydrophobicContact CB-CD1 3.89Å; P165-I266 HydrophobicContact CB-CG1 4.07Å; P165-I266 PolarHBondContact O-N 2.94Å; P165-V269 HydrophobicContact CB-CG2 4.37Å
166W86.6Confident88.3Confident147 Ų14738.1 Ų38.156%0.55720%0.202SC*.THydrogen-bonded Turntrans-91.9-17.6-178.5-56.1115.9000113.9G164 V269 K304G164-W166 PolarHBondContact O-N 3.26Å; G164-W166 VanDerWaalsContact O-N 3.09Å; W166-V269 HydrophobicContact CH2-CB 3.82Å; W166-V269 HydrophobicContact CH2-CG2 4.26Å; W166-V269 HydrophobicContact CZ2-CB 4.11Å; W166-V269 HydrophobicContact CZ2-CG1 4.32Å; W166-V269 HydrophobicContact CZ3-CB 4.49Å; W166-V269 HydrophobicContact CZ3-CG2 4.49Å; W166-K304 PolarHBondContact O-NZ 3.36Å
167T89.5Confident88Confident48 Ų4843.7 Ų43.729%0.29422%0.216SC..SBendtrans-149.9109.6176.1-53.90000110.2H163 G164 T263 C264 K304H163-T167 CarbonylContact C-O 3.53Å; H163-T167 VanDerWaalsContact CA-O 3.32Å; H163-T167 WeakPolarHBondContact CA-O 3.29Å; H163-T167 VanDerWaalsContact CB-O 3.28Å; H163-T167 WeakPolarHBondContact CB-O 3.22Å; H163-T167 PolarHBondContact N-O 2.85Å; G164-T167 CarbonylContact O-C 3.57Å; G164-T167 PolarHBondContact O-N 3.32Å; T167-T263 HydrophobicContact CG2-CG2 4.15Å; T167-C264 WeakPolarHBondContact CA-O 3.28Å; T167-K304 PolarHBondContact OG1-NZ 2.89Å
168F93Very high87.7Confident1 Ų145 Ų450%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-143.8175.9167.859.7-84.4000110.3L159 D161 W162 V170 T263 C264 I266 L307 L309L159-F168 HydrophobicContact CD1-CB 4.1Å; L159-F168 HydrophobicContact CD1-CD2 3.65Å; L159-F168 HydrophobicContact CD1-CG 4.24Å; D161-F168 CarbonylContact O-C 3.42Å; D161-F168 WeakPolarHBondContact O-CA 3.34Å; D161-F168 WeakPolarHBondContact O-CB 3.34Å; W162-F168 HydrophobicContact CD2-CB 4.32Å; W162-F168 HydrophobicContact CE3-CB 3.52Å; W162-F168 HydrophobicContact CE3-CD1 4.01Å; W162-F168 HydrophobicContact CE3-CD2 4.32Å; W162-F168 AromaticContact CE3-CG 3.72Å; W162-F168 HydrophobicContact CE3-CG 3.72Å; W162-F168 HydrophobicContact CZ3-CB 4.12Å; W162-F168 AromaticContact CZ3-CD1 3.68Å; W162-F168 HydrophobicContact CZ3-CD1 3.68Å; W162-F168 HydrophobicContact CZ3-CD2 4.41Å; W162-F168 HydrophobicContact CZ3-CE1 4.15Å; W162-F168 AromaticContact CZ3-CG 3.84Å; W162-F168 HydrophobicContact CZ3-CG 3.84Å; F168-V170 HydrophobicContact CD2-CG1 3.7Å; F168-V170 HydrophobicContact CE2-CG1 3.61Å; F168-T263 CarbonylContact O-C 3.54Å; F168-T263 WeakPolarHBondContact O-CA 3.31Å; F168-C264 HydrophobicContact CD1-CB 4.32Å; F168-C264 HydrophobicContact CD2-CB 3.81Å; F168-C264 HydrophobicContact CE1-CB 4.03Å; F168-C264 HydrophobicContact CE2-CB 3.5Å; F168-C264 VanDerWaalsContact CE2-CB 3.5Å; F168-C264 HydrophobicContact CG-CB 4.22Å; F168-C264 HydrophobicContact CZ-CB 3.61Å; F168-C264 PolarHBondContact N-O 3.43Å; F168-C264 PolarHBondContact O-N 2.82Å; F168-I266 HydrophobicContact CE1-CG1 3.73Å; F168-I266 HydrophobicContact CZ-CG1 4.12Å; F168-L307 HydrophobicContact CE2-CD1 3.96Å; F168-L307 HydrophobicContact CZ-CD1 4.1Å; F168-L309 HydrophobicContact CZ-CD1 4.44Å
169H94.1Very high87.6Confident5 Ų544.6 Ų44.62%0.02322%0.219CC..EExtended strand (participates in β ladder)trans-127.7133-177.7-62.7104.2000112.1L160 D161 K232 G237 F262 T263L160-H169 HydrophobicContact CB-CB 4.3Å; L160-H169 HydrophobicContact CD1-CB 4.43Å; L160-H169 PolarHBondContact N-O 2.86Å; D161-H169 HydrophobicContact CB-CB 4.14Å; D161-H169 PolarHBondContact O-N 3.16Å; D161-H169 IonicContact OD2-CE1 3.76Å; D161-H169 IonicContact OD2-ND1 2.91Å; D161-H169 PolarHBondContact OD2-ND1 3.5Å; H169-K232 PolarHBondContact CE1-NZ 2.8Å; H169-K232 VanDerWaalsContact CE1-NZ 3.32Å; H169-K232 PolarHBondContact NE2-NZ 2.85Å; H169-G237 PolarHBondContact CE1-O 3.05Å; H169-G237 VanDerWaalsContact CE1-O 3.26Å; H169-G237 VanDerWaalsContact CG-CA 3.4Å; H169-G237 PolarHBondContact ND1-O 3.37Å; H169-F262 VanDerWaalsContact CA-O 3.23Å; H169-F262 WeakPolarHBondContact CA-O 3.09Å; H169-T263 PolarHBondContact CD2-OG1 2.91Å; H169-T263 WeakPolarHBondContact NE2-CG2 3.33Å; H169-T263 PolarHBondContact NE2-OG1 2.92Å
170V92.6Very high87.3Confident0 Ų050.4 Ų50.40%024%0.241CC..EExtended strand (participates in β ladder)trans-127.2155.6177.3-48.70000111.2I157 T158 L159 F168 F172 F262 L307I157-V170 HydrophobicContact CB-CB 4.36Å; I157-V170 HydrophobicContact CD1-CB 4.23Å; I157-V170 HydrophobicContact CD1-CG1 3.77Å; I157-V170 HydrophobicContact CG2-CG2 4.37Å; T158-V170 CarbonylContact O-C 3.38Å; T158-V170 VanDerWaalsContact O-CA 3.29Å; T158-V170 WeakPolarHBondContact O-CA 3.32Å; L159-V170 HydrophobicContact CD1-CG1 4.42Å; F168-V170 HydrophobicContact CD2-CG1 3.7Å; F168-V170 HydrophobicContact CE2-CG1 3.61Å; V170-F172 HydrophobicContact CG2-CE2 4.16Å; V170-F172 HydrophobicContact CG2-CZ 4.47Å; V170-F262 HydrophobicContact CG2-CB 4.29Å; V170-F262 PolarHBondContact N-O 3.47Å; V170-F262 PolarHBondContact O-N 2.93Å; V170-L307 HydrophobicContact CG1-CD1 4.21Å; V170-L307 HydrophobicContact CG2-CD1 4.29Å
171R91.8Very high86.8Confident13 Ų1349.6 Ų49.65%0.04924%0.237CC..EExtended strand (participates in β ladder)trans-120.4126.8160-177.9170.768.2-129.34.9108.5T158 L160 L175 N176 F179 L260T158-R171 PolarHBondContact N-O 3.23Å; T158-R171 PolarHBondContact O-N 2.94Å; L160-R171 HydrophobicContact CD1-CB 4.04Å; L160-R171 HydrophobicContact CD2-CB 4.13Å; L160-R171 HydrophobicContact CG-CB 4.34Å; R171-L175 HydrophobicContact CG-CB 4Å; R171-N176 VanDerWaalsContact CZ-OD1 3.28Å; R171-N176 PolarHBondContact NE-OD1 3.37Å; R171-N176 PolarHBondContact NH2-OD1 2.98Å; R171-F179 VanDerWaalsContact CZ-CG 3.48Å; R171-F179 VanDerWaalsContact NH1-CE2 3.25Å; R171-F179 VanDerWaalsContact NH1-CG 3.31Å; R171-L260 WeakPolarHBondContact CB-O 3.43Å; R171-L260 WeakPolarHBondContact CG-O 3.48Å
172F84.2Confident86.4Confident2 Ų248.2 Ų48.21%0.00923%0.23CC..EExtended strand (participates in β ladder)trans-66.3138.8172.6-64.1-92.2000110F147 T155 I157 V170 A174 L175 F262 V297 L305F147-F172 HydrophobicContact CE1-CD2 4.2Å; F147-F172 HydrophobicContact CE2-CB 3.58Å; F147-F172 HydrophobicContact CE2-CD1 4.01Å; F147-F172 HydrophobicContact CE2-CD2 4.01Å; F147-F172 AromaticContact CE2-CG 3.6Å; F147-F172 HydrophobicContact CE2-CG 3.6Å; F147-F172 HydrophobicContact CZ-CB 3.82Å; F147-F172 AromaticContact CZ-CD1 3.99Å; F147-F172 HydrophobicContact CZ-CD1 3.99Å; F147-F172 AromaticContact CZ-CD2 3.33Å; F147-F172 HydrophobicContact CZ-CD2 3.33Å; F147-F172 HydrophobicContact CZ-CE1 4.41Å; F147-F172 AromaticContact CZ-CE2 3.82Å; F147-F172 HydrophobicContact CZ-CE2 3.82Å; F147-F172 AromaticContact CZ-CG 3.43Å; F147-F172 HydrophobicContact CZ-CG 3.43Å; F147-F172 VanDerWaalsContact CZ-CG 3.43Å; F147-F172 HydrophobicContact CZ-CZ 4.33Å; T155-F172 HydrophobicContact CG2-CD1 3.79Å; I157-F172 HydrophobicContact CG2-CD1 3.57Å; I157-F172 HydrophobicContact CG2-CE1 3.83Å; I157-F172 HydrophobicContact CG2-CG 4.13Å; V170-F172 HydrophobicContact CG2-CE2 4.16Å; V170-F172 HydrophobicContact CG2-CZ 4.47Å; F172-A174 PolarHBondContact O-N 2.81Å; F172-L175 HydrophobicContact CB-CD1 4.49Å; F172-L175 WeakPolarHBondContact O-CB 3.4Å; F172-L175 PolarHBondContact O-N 3.03Å; F172-F262 AromaticContact CD2-CD2 3.9Å; F172-F262 HydrophobicContact CD2-CD2 3.9Å; F172-F262 HydrophobicContact CD2-CE2 4.12Å; F172-F262 HydrophobicContact CD2-CG 4.4Å; F172-F262 HydrophobicContact CE2-CB 4.39Å; F172-F262 HydrophobicContact CE2-CD1 4.42Å; F172-F262 AromaticContact CE2-CD2 3.96Å; F172-F262 HydrophobicContact CE2-CD2 3.96Å; F172-F262 HydrophobicContact CE2-CE2 4.41Å; F172-F262 AromaticContact CE2-CG 3.98Å; F172-F262 HydrophobicContact CE2-CG 3.98Å; F172-V297 HydrophobicContact CE1-CG2 4.16Å; F172-V297 HydrophobicContact CZ-CG2 4.01Å; F172-L305 HydrophobicContact CE2-CD1 3.78Å; F172-L305 HydrophobicContact CZ-CD1 3.8Å
173E84.9Confident86.4Confident110 Ų11047.7 Ų47.751%0.51423%0.229SC..G310 helixtrans-60.7-31.6-173175155.8-143.500113P156 L175 N176P156-E173 HydrophobicContact CB-CB 4.06Å; P156-E173 WeakPolarHBondContact CB-OE2 3.49Å; P156-E173 PolarHBondContact O-N 2.93Å; E173-L175 PolarHBondContact O-N 3.42Å; E173-N176 VanDerWaalsContact O-CB 3.28Å; E173-N176 WeakPolarHBondContact O-CB 3.42Å; E173-N176 PolarHBondContact O-N 2.81Å
174A76.7Confident86.3Confident72 Ų7243.7 Ų43.760%0.59522%0.215SC*.G310 helixtrans-51.3-28.4171.900000113.6F147 F172F147-A174 HydrophobicContact CD2-CB 4.19Å; F172-A174 PolarHBondContact O-N 2.81Å
175L80.2Confident86.3Confident9 Ų943 Ų435%0.04721%0.208CC..G310 helixtrans-92.9-5.5-179.9-55.7176000113.6F147 R171 F172 E173 R177 L178 F179 L260 F262F147-L175 HydrophobicContact CD1-CD1 4.38Å; F147-L175 HydrophobicContact CD1-CD2 4.44Å; F147-L175 HydrophobicContact CE1-CD1 4.21Å; F147-L175 HydrophobicContact CG-CD2 4.29Å; F147-L175 HydrophobicContact CZ-CD1 4.47Å; R171-L175 HydrophobicContact CG-CB 4Å; F172-L175 HydrophobicContact CB-CD1 4.49Å; F172-L175 WeakPolarHBondContact O-CB 3.4Å; F172-L175 PolarHBondContact O-N 3.03Å; E173-L175 PolarHBondContact O-N 3.42Å; L175-R177 VanDerWaalsContact C-N 3.29Å; L175-R177 PolarHBondContact O-N 2.97Å; L175-L178 PolarHBondContact O-N 2.65Å; L175-F179 PolarHBondContact O-N 2.87Å; L175-L260 HydrophobicContact CB-CD2 4.49Å; L175-L260 HydrophobicContact CD1-CD2 4.47Å; L175-F262 HydrophobicContact CD1-CE2 3.58Å; L175-F262 HydrophobicContact CD1-CZ 4.23Å
176N84.9Confident86.5Confident20 Ų2041.7 Ų41.711%0.10720%0.199CC..Hα-helixtrans-58.6-39.2178.5-83.4-26.3000112R171 E173 F179 Y180R171-N176 VanDerWaalsContact CZ-OD1 3.28Å; R171-N176 PolarHBondContact NE-OD1 3.37Å; R171-N176 PolarHBondContact NH2-OD1 2.98Å; E173-N176 VanDerWaalsContact O-CB 3.28Å; E173-N176 WeakPolarHBondContact O-CB 3.42Å; E173-N176 PolarHBondContact O-N 2.81Å; N176-F179 WeakPolarHBondContact O-CB 3.28Å; N176-F179 PolarHBondContact O-N 2.67Å; N176-Y180 HydrophobicContact CB-CE2 4.31Å; N176-Y180 WeakPolarHBondContact O-CD2 3.47Å; N176-Y180 PolarHBondContact O-N 3.2Å
177R78.5Confident86.7Confident173 Ų17336.9 Ų36.965%0.65318%0.183SC*.Hα-helixtrans-60.9-51176.5-68-174.7-178.8-176.81.4111.2L175 F179 Y180 V181L175-R177 VanDerWaalsContact C-N 3.29Å; L175-R177 PolarHBondContact O-N 2.97Å; R177-F179 VanDerWaalsContact C-N 3.29Å; R177-F179 PolarHBondContact O-N 2.9Å; R177-Y180 PolarHBondContact O-N 3.41Å; R177-V181 VanDerWaalsContact O-CG2 3.26Å; R177-V181 WeakPolarHBondContact O-CG2 3.21Å; R177-V181 PolarHBondContact O-N 3.17Å
178L81.6Confident86.5Confident30 Ų3038.3 Ų38.316%0.15719%0.188CC..Hα-helixtrans-60.7-37.7178.5-179.357.8000112.1L175 V181 I182 V257 L260L175-L178 PolarHBondContact O-N 2.65Å; L178-V181 PolarHBondContact O-N 3.06Å; L178-I182 HydrophobicContact CD1-CG1 4.2Å; L178-I182 WeakPolarHBondContact O-CG1 3.35Å; L178-I182 PolarHBondContact O-N 3.36Å; L178-V257 HydrophobicContact CD1-CG1 4.2Å; L178-V257 HydrophobicContact CD2-CG1 4.01Å; L178-V257 HydrophobicContact CG-CG1 4.21Å; L178-L260 HydrophobicContact CD2-CD2 3.87Å; L178-L260 HydrophobicContact CG-CD1 4.25Å; L178-L260 HydrophobicContact CG-CD2 4.28Å
179F89.4Confident86.1Confident16 Ų1638.5 Ų38.57%0.0719%0.188CC..Hα-helixtrans-59.2-49.5173174.7-97.3000112.2R171 L175 N176 R177 I182 E183 D235 L236 L260R171-F179 VanDerWaalsContact CZ-CG 3.48Å; R171-F179 VanDerWaalsContact NH1-CE2 3.25Å; R171-F179 VanDerWaalsContact NH1-CG 3.31Å; L175-F179 PolarHBondContact O-N 2.87Å; N176-F179 WeakPolarHBondContact O-CB 3.28Å; N176-F179 PolarHBondContact O-N 2.67Å; R177-F179 VanDerWaalsContact C-N 3.29Å; R177-F179 PolarHBondContact O-N 2.9Å; F179-I182 PolarHBondContact O-N 3.17Å; F179-E183 WeakPolarHBondContact CE1-OE1 3.45Å; F179-E183 WeakPolarHBondContact CZ-OE1 3.22Å; F179-E183 WeakPolarHBondContact O-CB 3.19Å; F179-E183 PolarHBondContact O-N 2.92Å; F179-D235 HydrophobicContact CD2-CB 3.9Å; F179-D235 HydrophobicContact CE2-CB 3.8Å; F179-L236 HydrophobicContact CE2-CD2 4.14Å; F179-L236 HydrophobicContact CZ-CD2 4.07Å; F179-L260 VanDerWaalsContact CA-CD1 3.49Å; F179-L260 HydrophobicContact CB-CD1 3.79Å; F179-L260 HydrophobicContact CD2-CD1 4.28Å
180Y87.9Confident85.8Confident133 Ų13339 Ų3952%0.52219%0.19SC..Hα-helixtrans-65.3-39.1177.9-66-55.7000112.7N176 R177 I182 E183 S184N176-Y180 HydrophobicContact CB-CE2 4.31Å; N176-Y180 WeakPolarHBondContact O-CD2 3.47Å; N176-Y180 PolarHBondContact O-N 3.2Å; R177-Y180 PolarHBondContact O-N 3.41Å; Y180-I182 VanDerWaalsContact C-N 3.32Å; Y180-I182 PolarHBondContact O-N 3.42Å; Y180-E183 PolarHBondContact O-N 2.99Å; Y180-S184 WeakPolarHBondContact O-CB 3.34Å; Y180-S184 PolarHBondContact O-N 3.18Å; Y180-S184 PolarHBondContact O-OG 3.1Å
181V82.4Confident85.4Confident26 Ų2643.2 Ų43.216%0.15823%0.225CC..Hα-helixtrans-57.4-45.9175.3175.90000111.1R177 L178 S185 Y337 F340R177-V181 VanDerWaalsContact O-CG2 3.26Å; R177-V181 WeakPolarHBondContact O-CG2 3.21Å; R177-V181 PolarHBondContact O-N 3.17Å; L178-V181 PolarHBondContact O-N 3.06Å; V181-S185 VanDerWaalsContact O-CB 3.23Å; V181-S185 WeakPolarHBondContact O-CB 3.36Å; V181-S185 PolarHBondContact O-N 2.93Å; V181-S185 PolarHBondContact O-OG 3.37Å; V181-Y337 HydrophobicContact CB-CD2 4.19Å; V181-Y337 HydrophobicContact CG1-CD2 4.07Å; V181-Y337 HydrophobicContact CG2-CD2 3.56Å; V181-Y337 HydrophobicContact CG2-CE2 4.19Å; V181-Y337 HydrophobicContact CG2-CG 4.49Å; V181-F340 HydrophobicContact CG1-CB 4.25Å; V181-F340 HydrophobicContact CG1-CD1 3.3Å; V181-F340 HydrophobicContact CG1-CE1 3.84Å; V181-F340 HydrophobicContact CG1-CG 4.01Å
182I85.8Confident84.9Confident3 Ų344.9 Ų44.92%0.01524%0.241CC..Hα-helixtrans-73.4-41.8-179.8-64.6-68000111.6L178 F179 Y180 S185 M186 R217 F254 V257 F340L178-I182 HydrophobicContact CD1-CG1 4.2Å; L178-I182 WeakPolarHBondContact O-CG1 3.35Å; L178-I182 PolarHBondContact O-N 3.36Å; F179-I182 PolarHBondContact O-N 3.17Å; Y180-I182 VanDerWaalsContact C-N 3.32Å; Y180-I182 PolarHBondContact O-N 3.42Å; I182-S185 PolarHBondContact O-N 3.33Å; I182-M186 HydrophobicContact CG2-CG 4.37Å; I182-M186 HydrophobicContact CG2-SD 4.28Å; I182-M186 WeakPolarHBondContact O-CB 3.38Å; I182-M186 WeakPolarHBondContact O-CG 3.38Å; I182-M186 PolarHBondContact O-N 2.94Å; I182-R217 HydrophobicContact CG2-CG 4.39Å; I182-F254 HydrophobicContact CD1-CD1 4.09Å; I182-F254 HydrophobicContact CG2-CD1 4.29Å; I182-V257 HydrophobicContact CD1-CB 4.46Å; I182-V257 HydrophobicContact CD1-CG2 3.86Å; I182-V257 HydrophobicContact CG1-CG1 4.37Å; I182-F340 HydrophobicContact CD1-CE1 3.9Å; I182-F340 HydrophobicContact CD1-CZ 3.67Å
183E89.9Confident84.5Confident23 Ų2345.6 Ų45.611%0.10725%0.248CC..Hα-helixtrans-57.5-55176.9-169-174.6-85.900110.8F179 Y180 S185 M186 Q187 K214 R216F179-E183 WeakPolarHBondContact CE1-OE1 3.45Å; F179-E183 WeakPolarHBondContact CZ-OE1 3.22Å; F179-E183 WeakPolarHBondContact O-CB 3.19Å; F179-E183 PolarHBondContact O-N 2.92Å; Y180-E183 PolarHBondContact O-N 2.99Å; E183-S185 PolarHBondContact O-N 3.24Å; E183-M186 PolarHBondContact O-N 2.98Å; E183-Q187 VanDerWaalsContact O-CG 3.3Å; E183-Q187 WeakPolarHBondContact O-CG 3.41Å; E183-Q187 PolarHBondContact O-N 3.33Å; E183-Q187 VanDerWaalsContact O-N 3.16Å; E183-Q187 PolarHBondContact O-NE2 3.08Å; E183-K214 HydrophobicContact CG-CD 4.35Å; E183-K214 IonicContact OE2-NZ 3.17Å; E183-K214 PolarHBondContact OE2-NZ 2.82Å; E183-R216 IonicContact OE1-CZ 2.89Å; E183-R216 IonicContact OE1-NH1 3.65Å; E183-R216 PolarHBondContact OE1-NH1 3.11Å; E183-R216 IonicContact OE1-NH2 3.5Å
184S86.7Confident84.1Confident42 Ų4245.3 Ų45.329%0.29426%0.264SS..Hα-helixtrans-60.1-44.5-179.8-62.50000112.6Y180 M186 Q187 M188Y180-S184 WeakPolarHBondContact O-CB 3.34Å; Y180-S184 PolarHBondContact O-N 3.18Å; Y180-S184 PolarHBondContact O-OG 3.1Å; S184-M186 PolarHBondContact O-N 2.67Å; S184-Q187 WeakPolarHBondContact O-CB 3.48Å; S184-Q187 PolarHBondContact O-N 2.9Å; S184-Q187 VanDerWaalsContact O-N 3.09Å; S184-M188 PolarHBondContact O-N 3.26Å
185S85.3Confident84.3Confident0 Ų044.9 Ų44.90%025%0.252CS..Hα-helixtrans-69.3-32.5-177.2-58.60000112.9V181 I182 E183 F189 F340V181-S185 VanDerWaalsContact O-CB 3.23Å; V181-S185 WeakPolarHBondContact O-CB 3.36Å; V181-S185 PolarHBondContact O-N 2.93Å; V181-S185 PolarHBondContact O-OG 3.37Å; I182-S185 PolarHBondContact O-N 3.33Å; E183-S185 PolarHBondContact O-N 3.24Å; S185-F189 VanDerWaalsContact O-CB 3.23Å; S185-F189 WeakPolarHBondContact O-CB 3.26Å; S185-F189 PolarHBondContact O-N 3.03Å; S185-F340 VanDerWaalsContact CB-CE1 3.48Å; S185-F340 VanDerWaalsContact OG-CD1 3.3Å; S185-F340 WeakPolarHBondContact OG-CD1 3.23Å; S185-F340 WeakPolarHBondContact OG-CE1 3.44Å
186M90.3Very high84.5Confident2 Ų250.5 Ų50.51%0.0128%0.282CS..Hα-helixtrans-65.2-39.8169.1-74.5-171.280.800111.4I182 E183 S184 F189 Y190 A208 W215 R217 L250 F254I182-M186 HydrophobicContact CG2-CG 4.37Å; I182-M186 HydrophobicContact CG2-SD 4.28Å; I182-M186 WeakPolarHBondContact O-CB 3.38Å; I182-M186 WeakPolarHBondContact O-CG 3.38Å; I182-M186 PolarHBondContact O-N 2.94Å; E183-M186 PolarHBondContact O-N 2.98Å; S184-M186 PolarHBondContact O-N 2.67Å; M186-F189 PolarHBondContact O-N 3.31Å; M186-Y190 HydrophobicContact CB-CD2 4.46Å; M186-Y190 HydrophobicContact CE-CD2 4.34Å; M186-Y190 HydrophobicContact CE-CE2 3.73Å; M186-Y190 WeakPolarHBondContact O-CD2 3.39Å; M186-Y190 PolarHBondContact O-N 3.23Å; M186-A208 HydrophobicContact CE-CB 3.68Å; M186-W215 HydrophobicContact CB-CB 4.08Å; M186-W215 HydrophobicContact CE-CB 4.42Å; M186-R217 HydrophobicContact CE-CG 3.96Å; M186-R217 HydrophobicContact SD-CB 4.47Å; M186-R217 HydrophobicContact SD-CG 3.31Å; M186-R217 WeakPolarHBondContact SD-CG 3.42Å; M186-L250 HydrophobicContact CE-CD1 3.74Å; M186-F254 HydrophobicContact CG-CD1 3.82Å; M186-F254 HydrophobicContact CG-CD2 4.28Å; M186-F254 HydrophobicContact CG-CE1 3.76Å; M186-F254 HydrophobicContact CG-CE2 4.22Å; M186-F254 HydrophobicContact CG-CG 4.09Å; M186-F254 HydrophobicContact CG-CZ 3.97Å
187Q91.6Very high84.7Confident46 Ų4651.6 Ų51.622%0.21529%0.29CS..Hα-helixtrans-61.6-48.1177-50.1-34-64.500110.6E183 S184 F189 A191 W215E183-Q187 VanDerWaalsContact O-CG 3.3Å; E183-Q187 WeakPolarHBondContact O-CG 3.41Å; E183-Q187 PolarHBondContact O-N 3.33Å; E183-Q187 VanDerWaalsContact O-N 3.16Å; E183-Q187 PolarHBondContact O-NE2 3.08Å; S184-Q187 WeakPolarHBondContact O-CB 3.48Å; S184-Q187 PolarHBondContact O-N 2.9Å; S184-Q187 VanDerWaalsContact O-N 3.09Å; Q187-F189 PolarHBondContact O-N 3.36Å; Q187-A191 WeakPolarHBondContact O-CB 3.42Å; Q187-A191 PolarHBondContact O-N 3.36Å; Q187-W215 PolarHBondContact NE2-O 3.45Å
188M84.2Confident85.1Confident79 Ų7943.8 Ų43.839%0.38926%0.262SS..Hα-helixtrans-61-45.4177.9-68.5173.466.200112.3S184 A192 L341 E345S184-M188 PolarHBondContact O-N 3.26Å; M188-A192 WeakPolarHBondContact O-CB 3.48Å; M188-A192 PolarHBondContact O-N 2.96Å; M188-L341 HydrophobicContact CE-CD2 4.3Å; M188-L341 HydrophobicContact SD-CD2 3.71Å; M188-E345 HydrophobicContact CE-CG 4.12Å
189F85.6Confident85Confident4 Ų451.3 Ų51.32%0.01829%0.294CS..Hα-helixtrans-62-53.4-179.9-179.2-84.8000111.9S185 M186 Q187 A192 A193 L195 P251 F254 V344 V348 M351S185-F189 VanDerWaalsContact O-CB 3.23Å; S185-F189 WeakPolarHBondContact O-CB 3.26Å; S185-F189 PolarHBondContact O-N 3.03Å; M186-F189 PolarHBondContact O-N 3.31Å; Q187-F189 PolarHBondContact O-N 3.36Å; F189-A192 PolarHBondContact O-N 2.91Å; F189-A193 HydrophobicContact CD1-CB 4.32Å; F189-A193 HydrophobicContact CE1-CB 4.04Å; F189-A193 HydrophobicContact CZ-CB 4.35Å; F189-A193 WeakPolarHBondContact O-CB 3.45Å; F189-A193 PolarHBondContact O-N 2.97Å; F189-L195 HydrophobicContact CE1-CD1 3.75Å; F189-L195 HydrophobicContact CZ-CD1 4.35Å; F189-P251 HydrophobicContact CD1-CG 4.19Å; F189-P251 HydrophobicContact CE1-CG 3.41Å; F189-P251 VanDerWaalsContact CE1-CG 3.41Å; F189-P251 HydrophobicContact CE2-CG 3.99Å; F189-P251 HydrophobicContact CZ-CB 4.24Å; F189-P251 HydrophobicContact CZ-CG 3.3Å; F189-F254 HydrophobicContact CB-CE2 4.01Å; F189-F254 HydrophobicContact CB-CZ 4.03Å; F189-F254 HydrophobicContact CD1-CE2 4.18Å; F189-F254 HydrophobicContact CD2-CE2 4.15Å; F189-F254 AromaticContact CG-CE2 3.85Å; F189-F254 HydrophobicContact CG-CE2 3.85Å; F189-F254 HydrophobicContact CG-CZ 4.33Å; F189-V344 HydrophobicContact CB-CG1 4.33Å; F189-V348 HydrophobicContact CD2-CG2 4.17Å; F189-M351 HydrophobicContact CD2-CE 4.17Å; F189-M351 HydrophobicContact CE2-CE 3.42Å; F189-M351 VanDerWaalsContact CE2-CE 3.42Å; F189-M351 HydrophobicContact CE2-SD 4.25Å; F189-M351 HydrophobicContact CZ-CE 3.72Å; F189-M351 HydrophobicContact CZ-SD 4.23Å
190Y87.2Confident84.6Confident15 Ų1556.3 Ų56.36%0.05933%0.326CS..Hα-helixtrans-78-18.6-176.7-73.9-83.3000113.9M186 A192 L195 A208 W215 P249 P251M186-Y190 HydrophobicContact CB-CD2 4.46Å; M186-Y190 HydrophobicContact CE-CD2 4.34Å; M186-Y190 HydrophobicContact CE-CE2 3.73Å; M186-Y190 WeakPolarHBondContact O-CD2 3.39Å; M186-Y190 PolarHBondContact O-N 3.23Å; Y190-A192 VanDerWaalsContact C-N 3.32Å; Y190-L195 HydrophobicContact CD1-CD1 4.24Å; Y190-L195 HydrophobicContact CE1-CD1 3.69Å; Y190-A208 HydrophobicContact CE1-CB 3.98Å; Y190-A208 HydrophobicContact CE2-CB 3.66Å; Y190-A208 WeakPolarHBondContact OH-CB 3.47Å; Y190-W215 HydrophobicContact CD1-CD2 4.15Å; Y190-W215 AromaticContact CD1-CE3 3.99Å; Y190-W215 HydrophobicContact CD1-CE3 3.99Å; Y190-W215 HydrophobicContact CD1-CH2 4.07Å; Y190-W215 HydrophobicContact CD1-CZ2 4.26Å; Y190-W215 AromaticContact CD1-CZ3 3.95Å; Y190-W215 HydrophobicContact CD1-CZ3 3.95Å; Y190-W215 HydrophobicContact CD2-CB 4.16Å; Y190-W215 AromaticContact CD2-CD2 3.99Å; Y190-W215 HydrophobicContact CD2-CD2 3.99Å; Y190-W215 HydrophobicContact CD2-CE3 4.12Å; Y190-W215 HydrophobicContact CD2-CG 4Å; Y190-W215 HydrophobicContact CE1-CE3 4.4Å; Y190-W215 HydrophobicContact CE1-CZ3 4.28Å; Y190-W215 AromaticContact CG-CD2 3.63Å; Y190-W215 HydrophobicContact CG-CD2 3.63Å; Y190-W215 AromaticContact CG-CE2 3.9Å; Y190-W215 AromaticContact CG-CE3 3.86Å; Y190-W215 HydrophobicContact CG-CE3 3.86Å; Y190-W215 AromaticContact CG-CG 3.98Å; Y190-W215 HydrophobicContact CG-CG 3.98Å; Y190-W215 HydrophobicContact CG-CH2 4.48Å; Y190-W215 HydrophobicContact CG-CZ2 4.31Å; Y190-W215 HydrophobicContact CG-CZ3 4.27Å; Y190-P249 PolarHBondContact OH-O 3.34Å; Y190-P251 WeakPolarHBondContact OH-CD 3.45Å
191A84.2Confident84.1Confident90 Ų9051.8 Ų51.874%0.74431%0.311SS*.Hα-helixtrans-71.9-26.616800000112.6Q187Q187-A191 WeakPolarHBondContact O-CB 3.42Å; Q187-A191 PolarHBondContact O-N 3.36Å
192A80.8Confident83.9Confident47 Ų4754 Ų5439%0.38833%0.326SS..Hα-helixtrans-100.2-22.3-179.600000114.2M188 F189 Y190 V348M188-A192 WeakPolarHBondContact O-CB 3.48Å; M188-A192 PolarHBondContact O-N 2.96Å; F189-A192 PolarHBondContact O-N 2.91Å; Y190-A192 VanDerWaalsContact C-N 3.32Å; A192-V348 HydrophobicContact CB-CG1 3.46Å; A192-V348 VanDerWaalsContact CB-CG1 3.46Å; A192-V348 HydrophobicContact CB-CG2 4.29Å
193A77Confident83.6Confident17 Ų1761.5 Ų61.514%0.1436%0.359CS..  trans-98.2112.4-175.100000112.2F189 L195 M351F189-A193 HydrophobicContact CD1-CB 4.32Å; F189-A193 HydrophobicContact CE1-CB 4.04Å; F189-A193 HydrophobicContact CZ-CB 4.35Å; F189-A193 WeakPolarHBondContact O-CB 3.45Å; F189-A193 PolarHBondContact O-N 2.97Å; A193-L195 HydrophobicContact CB-CD1 4.39Å; A193-L195 HydrophobicContact CB-CG 4.06Å; A193-L195 PolarHBondContact O-N 2.82Å; A193-M351 HydrophobicContact CB-CE 4.06Å
194A76.8Confident83.2Confident104 Ų10464.6 Ų64.686%0.8638%0.379SS*.  trans-7461.1173.400000112
195L79.8Confident83Confident64 Ų6464.8 Ų64.834%0.33538%0.377SS..PPolyproline II helixtrans-77.9148.4179.2-69.9178.3000112F189 Y190 A193 Y248F189-L195 HydrophobicContact CE1-CD1 3.75Å; F189-L195 HydrophobicContact CZ-CD1 4.35Å; Y190-L195 HydrophobicContact CD1-CD1 4.24Å; Y190-L195 HydrophobicContact CE1-CD1 3.69Å; A193-L195 HydrophobicContact CB-CD1 4.39Å; A193-L195 HydrophobicContact CB-CG 4.06Å; A193-L195 PolarHBondContact O-N 2.82Å; L195-Y248 HydrophobicContact CB-CD1 4.2Å; L195-Y248 WeakPolarHBondContact O-CE1 3.04Å
196N85.4Confident83.3Confident126 Ų12667.8 Ų67.867%0.67440%0.396SS*.PPolyproline II helixtrans-87.4153.5169-74.4-73.4000111.1P249N196-P249 WeakPolarHBondContact O-CD 3.02Å
197P89.5Confident83.5Confident43 Ų4367.7 Ų67.728%0.27940%0.396SS..PPolyproline II helixtrans-59.3158170.3-24.735.6000113.6K199 D245 L247 Y248P197-K199 PolarHBondContact O-N 3.2Å; P197-K199 VanDerWaalsContact O-N 3.09Å; P197-D245 WeakPolarHBondContact CB-O 3.18Å; P197-D245 WeakPolarHBondContact CG-O 3.47Å; P197-L247 CarbonylContact C-O 3.56Å; P197-L247 VanDerWaalsContact CA-O 3.32Å; P197-L247 WeakPolarHBondContact CA-O 3.46Å; P197-Y248 HydrophobicContact CG-CE1 4.09Å
198A85.1Confident83.7Confident9 Ų965.5 Ų65.57%0.07439%0.386CS..  trans-72.2100.5-177.900000111.4T200 L201 Q244 L247 P249A198-T200 VanDerWaalsContact C-N 3.27Å; A198-T200 PolarHBondContact O-N 2.91Å; A198-L201 HydrophobicContact CB-CD2 3.84Å; A198-Q244 PolarHBondContact O-NE2 2.67Å; A198-Q244 VanDerWaalsContact O-NE2 3.14Å; A198-L247 PolarHBondContact N-O 3.46Å; A198-P249 HydrophobicContact CB-CG 4.48Å
199K81.4Confident84.3Confident189 Ų18961.8 Ų61.882%0.82237%0.367SS*.SBendtrans-58.9-35.5177.4-64.2-171.4177.6-173.30113.1P197 Q244P197-K199 PolarHBondContact O-N 3.2Å; P197-K199 VanDerWaalsContact O-N 3.09Å; K199-Q244 PolarHBondContact O-NE2 2.73Å; K199-Q244 VanDerWaalsContact O-NE2 3.08Å
200T79.6Confident84.8Confident120 Ų12066 Ų6674%0.73639%0.387SS*.  trans-114125.4179.7-49.80000110.2A198A198-T200 VanDerWaalsContact C-N 3.27Å; A198-T200 PolarHBondContact O-N 2.91Å
201L78.7Confident85.2Confident39 Ų3967.2 Ų67.220%0.20439%0.393CS..  trans-117.9125.2176-61.2179.6000110.1A198 L205 V220 I229 Q244 L247A198-L201 HydrophobicContact CB-CD2 3.84Å; L201-L205 HydrophobicContact CD2-CD2 4.02Å; L201-V220 HydrophobicContact CD2-CG2 4.46Å; L201-I229 HydrophobicContact CD1-CD1 3.57Å; L201-I229 HydrophobicContact CD1-CG1 3.59Å; L201-I229 HydrophobicContact CD1-CG2 4.31Å; L201-Q244 HydrophobicContact CD1-CB 4.2Å; L201-Q244 HydrophobicContact CD1-CG 3.72Å; L201-Q244 HydrophobicContact CG-CG 4.35Å; L201-L247 HydrophobicContact CD1-CD2 3.89Å; L201-L247 HydrophobicContact CD2-CB 4.27Å; L201-L247 HydrophobicContact CD2-CD2 3.67Å; L201-L247 HydrophobicContact CG-CD2 4.46Å
202C78.1Confident85.7Confident72 Ų7269 Ų6949%0.48639%0.386SS..  trans-113.8156.9167.461.20000110.6T204 L205 V220C202-T204 PolarHBondContact O-N 3.1Å; C202-L205 VanDerWaalsContact O-CB 3.3Å; C202-L205 WeakPolarHBondContact O-CB 3.46Å; C202-L205 PolarHBondContact O-N 3.41Å; C202-V220 WeakPolarHBondContact O-CG1 3.47Å
203K78.1Confident86.3Confident160 Ų16074.1 Ų74.170%0.69640%0.402SS*.THydrogen-bonded Turntrans-56.1140.3169.9-66.5-177.7-177.7170.80108.5L205K203-L205 VanDerWaalsContact C-N 3.29Å; K203-L205 PolarHBondContact O-N 2.86Å
204T80.9Confident87.2Confident88 Ų8877.3 Ų77.354%0.5441%0.413SS..THydrogen-bonded Turntrans73.1-0.1-178.2780000117.3C202 P206 K219 V220C202-T204 PolarHBondContact O-N 3.1Å; T204-P206 WeakPolarHBondContact O-CD 3.47Å; T204-K219 VanDerWaalsContact CA-CE 3.45Å; T204-K219 VanDerWaalsContact O-CE 3.3Å; T204-K219 WeakPolarHBondContact O-CE 3.49Å; T204-V220 VanDerWaalsContact CA-O 3.31Å; T204-V220 WeakPolarHBondContact CA-O 3.46Å; T204-V220 PolarHBondContact N-O 2.71Å
205L83.8Confident88.1Confident47 Ų4774 Ų7425%0.24638%0.378CS..  trans-56.4127.9177.3-172.665000112.2L201 C202 K203 V207 K219 V220L201-L205 HydrophobicContact CD2-CD2 4.02Å; C202-L205 VanDerWaalsContact O-CB 3.3Å; C202-L205 WeakPolarHBondContact O-CB 3.46Å; C202-L205 PolarHBondContact O-N 3.41Å; K203-L205 VanDerWaalsContact C-N 3.29Å; K203-L205 PolarHBondContact O-N 2.86Å; L205-V207 HydrophobicContact CD2-CG1 3.92Å; L205-V207 HydrophobicContact CG-CG1 3.98Å; L205-K219 WeakPolarHBondContact O-CA 3.17Å; L205-V220 HydrophobicContact CB-CB 4.3Å; L205-V220 HydrophobicContact CB-CG2 4.11Å; L205-V220 PolarHBondContact O-N 3.42Å
206P90.9Very high88.9Confident63 Ų6372.2 Ų72.241%0.40937%0.367SS..EExtended strand (participates in β ladder)trans-70.2127.3166.2-16.331.4000110.6T204 L250T204-P206 WeakPolarHBondContact O-CD 3.47Å; P206-L250 HydrophobicContact CB-CB 4.27Å; P206-L250 HydrophobicContact CB-CD2 3.82Å
207V94.7Very high89.5Confident0 Ų066.4 Ų66.40%034%0.335CS..EExtended strand (participates in β ladder)trans-134.6160.3-178-66.60000110.6L205 V209 G218 V220 V231 L247 Y248L205-V207 HydrophobicContact CD2-CG1 3.92Å; L205-V207 HydrophobicContact CG-CG1 3.98Å; V207-V209 HydrophobicContact CG2-CG1 4.31Å; V207-G218 PolarHBondContact N-O 2.88Å; V207-G218 WeakPolarHBondContact O-CA 3.4Å; V207-G218 PolarHBondContact O-N 2.93Å; V207-V220 HydrophobicContact CG1-CG2 3.96Å; V207-V220 HydrophobicContact CG2-CG2 4.17Å; V207-V231 HydrophobicContact CG2-CG1 3.92Å; V207-V231 HydrophobicContact CG2-CG2 4.49Å; V207-L247 HydrophobicContact CG1-CB 4.49Å; V207-L247 HydrophobicContact CG1-CD2 4.3Å; V207-L247 HydrophobicContact CG2-CD2 4.3Å; V207-L247 HydrophobicContact CG2-CG 4.3Å; V207-Y248 CarbonylContact C-O 3.59Å; V207-Y248 WeakPolarHBondContact CA-O 3.29Å; V207-Y248 WeakPolarHBondContact CB-O 3.49Å
208A96Very high89.8Confident0 Ų064.4 Ų64.40%032%0.323CS..EExtended strand (participates in β ladder)trans-102.5144.6160.600000109.8M186 Y190 W215 R216 Y248 L250M186-A208 HydrophobicContact CE-CB 3.68Å; Y190-A208 HydrophobicContact CE1-CB 3.98Å; Y190-A208 HydrophobicContact CE2-CB 3.66Å; Y190-A208 WeakPolarHBondContact OH-CB 3.47Å; A208-W215 HydrophobicContact CB-CE3 4.09Å; A208-W215 HydrophobicContact CB-CZ3 4.37Å; A208-R216 WeakPolarHBondContact CA-O 3.5Å; A208-Y248 PolarHBondContact N-O 3.36Å; A208-Y248 PolarHBondContact O-N 3.37Å; A208-L250 HydrophobicContact CB-CD1 4.08Å
209V96.8Very high90.2Very high0 Ų068.6 Ų68.60%034%0.339CS..EExtended strand (participates in β ladder)trans-141149.6177-67.40000109.2V207 R216 V231 L233 F242 L247V207-V209 HydrophobicContact CG2-CG1 4.31Å; V209-R216 HydrophobicContact CG2-CB 4.35Å; V209-R216 PolarHBondContact N-O 2.74Å; V209-R216 VanDerWaalsContact N-O 3.09Å; V209-R216 PolarHBondContact O-N 2.83Å; V209-V231 HydrophobicContact CG1-CG1 4.33Å; V209-V231 HydrophobicContact CG1-CG2 4.45Å; V209-V231 HydrophobicContact CG2-CG1 4.43Å; V209-L233 HydrophobicContact CG2-CD2 3.46Å; V209-L233 VanDerWaalsContact CG2-CD2 3.46Å; V209-F242 HydrophobicContact CB-CD1 4.35Å; V209-F242 HydrophobicContact CB-CD2 4.45Å; V209-F242 HydrophobicContact CB-CE1 3.97Å; V209-F242 HydrophobicContact CB-CE2 4.05Å; V209-F242 HydrophobicContact CB-CZ 3.8Å; V209-F242 HydrophobicContact CG1-CD2 4.13Å; V209-F242 HydrophobicContact CG1-CE2 4.15Å; V209-F242 HydrophobicContact CG1-CG 4.3Å; V209-F242 HydrophobicContact CG1-CZ 4.37Å; V209-F242 HydrophobicContact CG2-CE1 4.29Å; V209-F242 HydrophobicContact CG2-CE2 3.79Å; V209-F242 HydrophobicContact CG2-CZ 3.62Å; V209-L247 HydrophobicContact CG1-CD1 4.11Å; V209-L247 HydrophobicContact CG1-CG 3.93Å
210Q95.8Very high90.9Very high94 Ų9459.9 Ų59.944%0.43930%0.302SS..EExtended strand (participates in β ladder)trans-89.9118.9172.6-161-176.119.900110.2Q213 K214 F242Q210-Q213 PolarHBondContact NE2-O 3.21Å; Q210-K214 CarbonylContact C-O 3.47Å; Q210-K214 WeakPolarHBondContact CA-O 3.09Å; Q210-F242 WeakPolarHBondContact O-CE1 3.41Å
211H96.2Very high91.6Very high40 Ų4057.4 Ų57.419%0.18528%0.283CS..EExtended strand (participates in β ladder)trans-133.4130.9178.8-174.1-94.6000109.6Q213 K214 R216 L233 F242H211-Q213 VanDerWaalsContact C-N 3.26Å; H211-Q213 PolarHBondContact O-N 3.02Å; H211-K214 PolarHBondContact N-O 3.21Å; H211-K214 PolarHBondContact O-N 3Å; H211-R216 HydrophobicContact CB-CG 3.78Å; H211-L233 HydrophobicContact CB-CD1 3.97Å; H211-F242 HydrophobicContact CB-CZ 4.37Å
212E94.7Very high92.3Very high128 Ų12861.4 Ų61.460%0.59830%0.296SS*.THydrogen-bonded Turntrans52.445.3-173.6-57.2148.1147.100111.8K214 R216E212-K214 PolarHBondContact O-N 3.07Å; E212-R216 IonicContact OE2-NH2 2.86Å; E212-R216 PolarHBondContact OE2-NH2 3.07Å
213Q93.2Very high93Very high154 Ų15465.1 Ų65.172%0.7230%0.299SS*.THydrogen-bonded Turntrans60.5-2.8-171.9-53-648.500116.4Q210 H211Q210-Q213 PolarHBondContact NE2-O 3.21Å; H211-Q213 VanDerWaalsContact C-N 3.26Å; H211-Q213 PolarHBondContact O-N 3.02Å
214K95.9Very high93.7Very high83 Ų8358.6 Ų58.636%0.36127%0.272SS..EExtended strand (participates in β ladder)trans-103.3140.5-179.5-67.7-175173.8-171.10112.7E183 Q210 H211 E212 R216E183-K214 HydrophobicContact CG-CD 4.35Å; E183-K214 IonicContact OE2-NZ 3.17Å; E183-K214 PolarHBondContact OE2-NZ 2.82Å; Q210-K214 CarbonylContact C-O 3.47Å; Q210-K214 WeakPolarHBondContact CA-O 3.09Å; H211-K214 PolarHBondContact N-O 3.21Å; H211-K214 PolarHBondContact O-N 3Å; E212-K214 PolarHBondContact O-N 3.07Å; K214-R216 PolarHBondContact O-N 3Å
215W95.6Very high94.1Very high35 Ų3567.1 Ų67.113%0.13330%0.295CS..EExtended strand (participates in β ladder)trans-66.5126.5167.6-69.697.5000111M186 Q187 Y190 A208 Y248M186-W215 HydrophobicContact CB-CB 4.08Å; M186-W215 HydrophobicContact CE-CB 4.42Å; Q187-W215 PolarHBondContact NE2-O 3.45Å; Y190-W215 HydrophobicContact CD1-CD2 4.15Å; Y190-W215 AromaticContact CD1-CE3 3.99Å; Y190-W215 HydrophobicContact CD1-CE3 3.99Å; Y190-W215 HydrophobicContact CD1-CH2 4.07Å; Y190-W215 HydrophobicContact CD1-CZ2 4.26Å; Y190-W215 AromaticContact CD1-CZ3 3.95Å; Y190-W215 HydrophobicContact CD1-CZ3 3.95Å; Y190-W215 HydrophobicContact CD2-CB 4.16Å; Y190-W215 AromaticContact CD2-CD2 3.99Å; Y190-W215 HydrophobicContact CD2-CD2 3.99Å; Y190-W215 HydrophobicContact CD2-CE3 4.12Å; Y190-W215 HydrophobicContact CD2-CG 4Å; Y190-W215 HydrophobicContact CE1-CE3 4.4Å; Y190-W215 HydrophobicContact CE1-CZ3 4.28Å; Y190-W215 AromaticContact CG-CD2 3.63Å; Y190-W215 HydrophobicContact CG-CD2 3.63Å; Y190-W215 AromaticContact CG-CE2 3.9Å; Y190-W215 AromaticContact CG-CE3 3.86Å; Y190-W215 HydrophobicContact CG-CE3 3.86Å; Y190-W215 AromaticContact CG-CG 3.98Å; Y190-W215 HydrophobicContact CG-CG 3.98Å; Y190-W215 HydrophobicContact CG-CH2 4.48Å; Y190-W215 HydrophobicContact CG-CZ2 4.31Å; Y190-W215 HydrophobicContact CG-CZ3 4.27Å; A208-W215 HydrophobicContact CB-CE3 4.09Å; A208-W215 HydrophobicContact CB-CZ3 4.37Å; W215-Y248 HydrophobicContact CH2-CD1 4.33Å; W215-Y248 AromaticContact CH2-CD2 3.55Å; W215-Y248 HydrophobicContact CH2-CD2 3.55Å; W215-Y248 HydrophobicContact CH2-CE1 4.34Å; W215-Y248 AromaticContact CH2-CE2 3.59Å; W215-Y248 HydrophobicContact CH2-CE2 3.59Å; W215-Y248 AromaticContact CH2-CG 3.94Å; W215-Y248 HydrophobicContact CH2-CG 3.94Å; W215-Y248 AromaticContact CH2-CZ 3.99Å; W215-Y248 AromaticContact CZ3-CD2 3.53Å; W215-Y248 HydrophobicContact CZ3-CD2 3.53Å; W215-Y248 HydrophobicContact CZ3-CE2 4.03Å; W215-Y248 AromaticContact CZ3-CG 3.91Å; W215-Y248 HydrophobicContact CZ3-CG 3.91Å
216R97.2Very high94.5Very high27 Ų2769 Ų6910%0.10231%0.305CS..EExtended strand (participates in β ladder)trans-124.8149.2-178.3-55.2-54.1-166.6164.34.2110.7E183 A208 V209 H211 E212 K214 L233E183-R216 IonicContact OE1-CZ 2.89Å; E183-R216 IonicContact OE1-NH1 3.65Å; E183-R216 PolarHBondContact OE1-NH1 3.11Å; E183-R216 IonicContact OE1-NH2 3.5Å; A208-R216 WeakPolarHBondContact CA-O 3.5Å; V209-R216 HydrophobicContact CG2-CB 4.35Å; V209-R216 PolarHBondContact N-O 2.74Å; V209-R216 VanDerWaalsContact N-O 3.09Å; V209-R216 PolarHBondContact O-N 2.83Å; H211-R216 HydrophobicContact CB-CG 3.78Å; E212-R216 IonicContact OE2-NH2 2.86Å; E212-R216 PolarHBondContact OE2-NH2 3.07Å; K214-R216 PolarHBondContact O-N 3Å; R216-L233 HydrophobicContact CB-CD2 4.15Å; R216-L233 HydrophobicContact CG-CD1 4.44Å
217R96.6Very high94.5Very high3 Ų367.9 Ų67.91%0.01131%0.305CS..EExtended strand (participates in β ladder)trans-76.1125.2166.8-55.5-167.2-60.5153.12.4109.9I182 M186 L233 I234 D235 L250 F254 V257 P258I182-R217 HydrophobicContact CG2-CG 4.39Å; M186-R217 HydrophobicContact CE-CG 3.96Å; M186-R217 HydrophobicContact SD-CB 4.47Å; M186-R217 HydrophobicContact SD-CG 3.31Å; M186-R217 WeakPolarHBondContact SD-CG 3.42Å; R217-L233 CarbonylContact O-C 3.6Å; R217-L233 WeakPolarHBondContact O-CA 3.36Å; R217-I234 HydrophobicContact CB-CD1 3.88Å; R217-I234 HydrophobicContact CB-CG1 3.67Å; R217-I234 PolarHBondContact O-N 3.28Å; R217-D235 IonicContact CZ-OD1 3.43Å; R217-D235 IonicContact CZ-OD2 3.52Å; R217-D235 IonicContact NE-OD1 2.75Å; R217-D235 IonicContact NE-OD2 2.76Å; R217-D235 PolarHBondContact NE-OD2 3.2Å; R217-D235 VanDerWaalsContact NH2-CG 3.29Å; R217-D235 IonicContact NH2-OD1 2.71Å; R217-D235 PolarHBondContact NH2-OD1 3.06Å; R217-D235 IonicContact NH2-OD2 3.46Å; R217-D235 PolarHBondContact NH2-OD2 3.23Å; R217-D235 VanDerWaalsContact NH2-OD2 3.11Å; R217-L250 HydrophobicContact CB-CD2 4.46Å; R217-L250 HydrophobicContact CG-CD1 4.13Å; R217-L250 HydrophobicContact CG-CD2 4.42Å; R217-F254 VanDerWaalsContact CD-O 3.23Å; R217-F254 WeakPolarHBondContact CD-O 3.46Å; R217-F254 PolarHBondContact NH1-O 3.09Å; R217-V257 PolarHBondContact NH1-O 2.71Å; R217-P258 PolarHBondContact NH2-O 2.75Å
218G96.4Very high94.5Very high1 Ų170.7 Ų70.71%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-119.2159.117900000112.3V207 V231 K232V207-G218 PolarHBondContact N-O 2.88Å; V207-G218 WeakPolarHBondContact O-CA 3.4Å; V207-G218 PolarHBondContact O-N 2.93Å; G218-V231 VanDerWaalsContact CA-CG1 3.49Å; G218-K232 CarbonylContact C-O 3.6Å; G218-K232 VanDerWaalsContact CA-O 3.29Å; G218-K232 WeakPolarHBondContact CA-O 3.45Å
219K94Very high94.5Very high97 Ų9770.9 Ų70.942%0.42232%0.318SS..EExtended strand (participates in β ladder)trans-129.5123.5167.6-177.9170.5-176.1169.50109.3T204 L205 I221 V231 K232 I234T204-K219 VanDerWaalsContact CA-CE 3.45Å; T204-K219 VanDerWaalsContact O-CE 3.3Å; T204-K219 WeakPolarHBondContact O-CE 3.49Å; L205-K219 WeakPolarHBondContact O-CA 3.17Å; K219-I221 PolarHBondContact O-N 3.36Å; K219-V231 WeakPolarHBondContact O-CA 3.38Å; K219-K232 PolarHBondContact N-O 2.71Å; K219-K232 PolarHBondContact O-N 3.4Å; K219-I234 HydrophobicContact CB-CG2 3.67Å
220V94.7Very high94.5Very high7 Ų772.3 Ų72.34%0.04232%0.324CS..EExtended strand (participates in β ladder)trans-63.3126176.7176.30000110L201 C202 T204 L205 V207 I229 L247L201-V220 HydrophobicContact CD2-CG2 4.46Å; C202-V220 WeakPolarHBondContact O-CG1 3.47Å; T204-V220 VanDerWaalsContact CA-O 3.31Å; T204-V220 WeakPolarHBondContact CA-O 3.46Å; T204-V220 PolarHBondContact N-O 2.71Å; L205-V220 HydrophobicContact CB-CB 4.3Å; L205-V220 HydrophobicContact CB-CG2 4.11Å; L205-V220 PolarHBondContact O-N 3.42Å; V207-V220 HydrophobicContact CG1-CG2 3.96Å; V207-V220 HydrophobicContact CG2-CG2 4.17Å; V220-I229 HydrophobicContact CG1-CG2 3.79Å; V220-I229 HydrophobicContact CG2-CG2 4.22Å; V220-L247 HydrophobicContact CG2-CD2 3.76Å
221I94.1Very high94.6Very high68 Ų6867.8 Ų67.835%0.34930%0.303SS..EExtended strand (participates in β ladder)trans-92.6-61.2174.3-49.2-178.3000109.3K219 E230 K232 V239K219-I221 PolarHBondContact O-N 3.36Å; I221-E230 HydrophobicContact CB-CB 4.03Å; I221-E230 HydrophobicContact CD1-CB 4.3Å; I221-E230 HydrophobicContact CG1-CB 4.41Å; I221-E230 PolarHBondContact N-O 2.82Å; I221-K232 HydrophobicContact CD1-CB 4.03Å; I221-K232 HydrophobicContact CG1-CB 4.21Å; I221-V239 HydrophobicContact CD1-CB 4.29Å; I221-V239 HydrophobicContact CD1-CG1 3.55Å; I221-V239 HydrophobicContact CD1-CG2 3.7Å
222R93.6Very high94.6Very high122 Ų12268.2 Ų68.246%0.4631%0.305SS..EExtended strand (participates in β ladder)trans-160.3168.3-176.760.7175.6179.5141.910.6111.2N224 E230R222-N224 PolarHBondContact NE-OD1 3.36Å; R222-N224 VanDerWaalsContact NE-OD1 3.09Å; R222-N224 PolarHBondContact NH2-OD1 3.02Å; R222-E230 HydrophobicContact CG-CB 4.11Å; R222-E230 HydrophobicContact CG-CG 4.49Å; R222-E230 WeakPolarHBondContact CG-OE2 3.3Å; R222-E230 IonicContact CZ-OE1 2.74Å; R222-E230 IonicContact CZ-OE2 3.31Å; R222-E230 VanDerWaalsContact NE-CD 3.3Å; R222-E230 IonicContact NE-OE1 2.71Å; R222-E230 PolarHBondContact NE-OE1 2.96Å; R222-E230 IonicContact NE-OE2 3.67Å; R222-E230 PolarHBondContact NE-OE2 2.78Å; R222-E230 IonicContact NH2-OE1 3.11Å; R222-E230 PolarHBondContact NH2-OE1 3.36Å; R222-E230 IonicContact NH2-OE2 3.34Å; R222-E230 PolarHBondContact NH2-OE2 3.43Å; R222-E230 PolarHBondContact O-N 3.42Å
223R93.6Very high94.7Very high150 Ų15062.1 Ų62.157%0.56628%0.276SS*.EExtended strand (participates in β ladder)trans-89.5141.8157.7-177.8176.7-76.8154.1-4.5108.8G227 K228 I229R223-G227 WeakPolarHBondContact CG-O 3.31Å; R223-K228 CarbonylContact C-O 3.55Å; R223-K228 WeakPolarHBondContact CA-O 3.26Å; R223-I229 HydrophobicContact CB-CD1 3.97Å; R223-I229 HydrophobicContact CG-CD1 4Å
224N92Very high94.8Very high23 Ų2356.2 Ų56.212%0.12325%0.249CC..  trans-93.5167.7177.6-79.4-5.7000111.9R222 D226 G227 K228 E230 N241R222-N224 PolarHBondContact NE-OD1 3.36Å; R222-N224 VanDerWaalsContact NE-OD1 3.09Å; R222-N224 PolarHBondContact NH2-OD1 3.02Å; N224-D226 WeakPolarHBondContact CB-OD1 3.16Å; N224-D226 PolarHBondContact O-N 3.45Å; N224-G227 PolarHBondContact O-N 2.94Å; N224-K228 PolarHBondContact N-O 3.16Å; N224-E230 WeakPolarHBondContact ND2-CG 3.39Å; N224-E230 PolarHBondContact ND2-OE1 2.85Å; N224-E230 PolarHBondContact OD1-OE1 3.09Å; N224-N241 PolarHBondContact ND2-OD1 3.35Å
225R90.6Very high94.8Very high268 Ų26852.9 Ų52.9100%1.01124%0.235SC*.THydrogen-bonded Turntrans-62.7-20.4179.4-67.2-175.2179.8175.1-0.3113.3G227R225-G227 VanDerWaalsContact C-N 3.34Å
226D92.1Very high94.8Very high87 Ų8752.5 Ų52.547%0.46524%0.236SC..THydrogen-bonded Turntrans-94.118.4175.274.6-42.7000113.3N224 K228N224-D226 WeakPolarHBondContact CB-OD1 3.16Å; N224-D226 PolarHBondContact O-N 3.45Å; D226-K228 PolarHBondContact O-N 3.17Å; D226-K228 VanDerWaalsContact O-N 3.12Å; D226-K228 WeakPolarHBondContact OD2-CD 3.39Å; D226-K228 VanDerWaalsContact OD2-CE 3.27Å; D226-K228 WeakPolarHBondContact OD2-CE 3.44Å; D226-K228 IonicContact OD2-NZ 3.45Å; D226-K228 PolarHBondContact OD2-NZ 3.46Å
227G91.1Very high94.7Very high39 Ų3951.3 Ų51.340%0.40223%0.232SC..SBendtrans81-22.9176.900000115.5R223 N224 R225R223-G227 WeakPolarHBondContact CG-O 3.31Å; N224-G227 PolarHBondContact O-N 2.94Å; R225-G227 VanDerWaalsContact C-N 3.34Å
228K95.1Very high94.6Very high59 Ų5952.3 Ų52.326%0.25724%0.239SC..PPolyproline II helixtrans-63.5156.4-179.6-71.7176.1-162.445.50112.9R223 N224 D226 N241 E243R223-K228 CarbonylContact C-O 3.55Å; R223-K228 WeakPolarHBondContact CA-O 3.26Å; N224-K228 PolarHBondContact N-O 3.16Å; D226-K228 PolarHBondContact O-N 3.17Å; D226-K228 VanDerWaalsContact O-N 3.12Å; D226-K228 WeakPolarHBondContact OD2-CD 3.39Å; D226-K228 VanDerWaalsContact OD2-CE 3.27Å; D226-K228 WeakPolarHBondContact OD2-CE 3.44Å; D226-K228 IonicContact OD2-NZ 3.45Å; D226-K228 PolarHBondContact OD2-NZ 3.46Å; K228-N241 HydrophobicContact CB-CB 4.26Å; K228-N241 HydrophobicContact CD-CB 4Å; K228-E243 WeakPolarHBondContact CE-OE1 3.27Å; K228-E243 VanDerWaalsContact CG-OE1 3.29Å; K228-E243 WeakPolarHBondContact CG-OE1 3.48Å; K228-E243 WeakPolarHBondContact CG-OE2 3.14Å; K228-E243 IonicContact NZ-OE1 3.08Å; K228-E243 PolarHBondContact NZ-OE1 3.16Å; K228-E243 VanDerWaalsContact NZ-OE1 3.08Å
229I95.6Very high94.6Very high3 Ų355.7 Ų55.72%0.01526%0.259CS..EExtended strand (participates in β ladder)trans-103.2123.1178.1-44.8-60.5000109.3L201 V220 R223 V231 N241 F242 Q244 L247L201-I229 HydrophobicContact CD1-CD1 3.57Å; L201-I229 HydrophobicContact CD1-CG1 3.59Å; L201-I229 HydrophobicContact CD1-CG2 4.31Å; V220-I229 HydrophobicContact CG1-CG2 3.79Å; V220-I229 HydrophobicContact CG2-CG2 4.22Å; R223-I229 HydrophobicContact CB-CD1 3.97Å; R223-I229 HydrophobicContact CG-CD1 4Å; I229-V231 HydrophobicContact CG2-CG2 4.09Å; I229-V231 PolarHBondContact O-N 2.7Å; I229-N241 WeakPolarHBondContact O-CA 3.39Å; I229-F242 PolarHBondContact N-O 3.06Å; I229-F242 PolarHBondContact O-N 3.49Å; I229-Q244 HydrophobicContact CG1-CB 4.37Å; I229-L247 HydrophobicContact CB-CD1 4.31Å; I229-L247 HydrophobicContact CB-CD2 4.06Å; I229-L247 HydrophobicContact CG1-CD2 4.27Å; I229-L247 HydrophobicContact CG2-CD2 3.7Å
230E96.4Very high94.7Very high30 Ų3052.8 Ų52.814%0.1425%0.25CC..EExtended strand (participates in β ladder)trans-76120.1167.8-86178-171.100109.7I221 R222 N224 V239 N241I221-E230 HydrophobicContact CB-CB 4.03Å; I221-E230 HydrophobicContact CD1-CB 4.3Å; I221-E230 HydrophobicContact CG1-CB 4.41Å; I221-E230 PolarHBondContact N-O 2.82Å; R222-E230 HydrophobicContact CG-CB 4.11Å; R222-E230 HydrophobicContact CG-CG 4.49Å; R222-E230 WeakPolarHBondContact CG-OE2 3.3Å; R222-E230 IonicContact CZ-OE1 2.74Å; R222-E230 IonicContact CZ-OE2 3.31Å; R222-E230 VanDerWaalsContact NE-CD 3.3Å; R222-E230 IonicContact NE-OE1 2.71Å; R222-E230 PolarHBondContact NE-OE1 2.96Å; R222-E230 IonicContact NE-OE2 3.67Å; R222-E230 PolarHBondContact NE-OE2 2.78Å; R222-E230 IonicContact NH2-OE1 3.11Å; R222-E230 PolarHBondContact NH2-OE1 3.36Å; R222-E230 IonicContact NH2-OE2 3.34Å; R222-E230 PolarHBondContact NH2-OE2 3.43Å; R222-E230 PolarHBondContact O-N 3.42Å; N224-E230 WeakPolarHBondContact ND2-CG 3.39Å; N224-E230 PolarHBondContact ND2-OE1 2.85Å; N224-E230 PolarHBondContact OD1-OE1 3.09Å; E230-V239 HydrophobicContact CB-CG1 4.16Å; E230-V239 HydrophobicContact CG-CG1 4.16Å; E230-N241 WeakPolarHBondContact CG-OD1 3.49Å
231V97Very high94.8Very high0 Ų056.1 Ų56.10%027%0.267CS..EExtended strand (participates in β ladder)trans-120.5123.3177.7-177.60000108.8V207 V209 G218 K219 I229 L233 V239 V240 F242 L247V207-V231 HydrophobicContact CG2-CG1 3.92Å; V207-V231 HydrophobicContact CG2-CG2 4.49Å; V209-V231 HydrophobicContact CG1-CG1 4.33Å; V209-V231 HydrophobicContact CG1-CG2 4.45Å; V209-V231 HydrophobicContact CG2-CG1 4.43Å; G218-V231 VanDerWaalsContact CA-CG1 3.49Å; K219-V231 WeakPolarHBondContact O-CA 3.38Å; I229-V231 HydrophobicContact CG2-CG2 4.09Å; I229-V231 PolarHBondContact O-N 2.7Å; V231-L233 HydrophobicContact CG1-CD2 4.38Å; V231-V239 WeakPolarHBondContact O-CA 3Å; V231-V240 PolarHBondContact N-O 3.41Å; V231-V240 PolarHBondContact O-N 2.85Å; V231-F242 HydrophobicContact CB-CD2 3.8Å; V231-F242 HydrophobicContact CB-CE2 3.96Å; V231-F242 HydrophobicContact CG2-CD2 3.8Å; V231-F242 HydrophobicContact CG2-CE2 4.43Å; V231-L247 HydrophobicContact CG2-CD1 4.16Å; V231-L247 HydrophobicContact CG2-CD2 3.91Å; V231-L247 HydrophobicContact CG2-CG 4.15Å
232K96.3Very high94.9Very high48 Ų4853.6 Ų53.621%0.20925%0.254CS..EExtended strand (participates in β ladder)trans-80.3123.1168-178163.2-177.4126.90109.5H169 G218 K219 I221 I234 G237 C238 V239H169-K232 PolarHBondContact CE1-NZ 2.8Å; H169-K232 VanDerWaalsContact CE1-NZ 3.32Å; H169-K232 PolarHBondContact NE2-NZ 2.85Å; G218-K232 CarbonylContact C-O 3.6Å; G218-K232 VanDerWaalsContact CA-O 3.29Å; G218-K232 WeakPolarHBondContact CA-O 3.45Å; K219-K232 PolarHBondContact N-O 2.71Å; K219-K232 PolarHBondContact O-N 3.4Å; I221-K232 HydrophobicContact CD1-CB 4.03Å; I221-K232 HydrophobicContact CG1-CB 4.21Å; K232-I234 PolarHBondContact O-N 3.46Å; K232-G237 WeakPolarHBondContact CE-O 3.04Å; K232-G237 PolarHBondContact NZ-O 3.31Å; K232-C238 WeakPolarHBondContact CA-O 3.32Å; K232-V239 HydrophobicContact CB-CG2 4.27Å; K232-V239 HydrophobicContact CG-CG2 4.41Å
233L97.6Very high95Very high1 Ų151.4 Ų51.41%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-78.1102174-56.9-172.9000108.4V209 H211 R216 R217 V231 D235 L236 G237 C238 V240 F242V209-L233 HydrophobicContact CG2-CD2 3.46Å; V209-L233 VanDerWaalsContact CG2-CD2 3.46Å; H211-L233 HydrophobicContact CB-CD1 3.97Å; R216-L233 HydrophobicContact CB-CD2 4.15Å; R216-L233 HydrophobicContact CG-CD1 4.44Å; R217-L233 CarbonylContact O-C 3.6Å; R217-L233 WeakPolarHBondContact O-CA 3.36Å; V231-L233 HydrophobicContact CG1-CD2 4.38Å; L233-D235 PolarHBondContact O-N 3.17Å; L233-L236 HydrophobicContact CB-CB 4.11Å; L233-L236 HydrophobicContact CB-CD1 4.41Å; L233-L236 HydrophobicContact CD1-CD1 3.97Å; L233-L236 PolarHBondContact O-N 2.91Å; L233-G237 PolarHBondContact O-N 3.46Å; L233-C238 PolarHBondContact N-O 3.12Å; L233-V240 HydrophobicContact CD1-CG2 4.12Å; L233-V240 HydrophobicContact CG-CG2 4.46Å; L233-F242 HydrophobicContact CD2-CE2 4.28Å; L233-F242 HydrophobicContact CD2-CZ 4.43Å
234I94.8Very high94.9Very high30 Ų3047.1 Ų47.115%0.15424%0.235CC..THydrogen-bonded Turntrans-69.6-9.5-162.565.3171.6000114.7R217 K219 K232 R259 L260 A261R217-I234 HydrophobicContact CB-CD1 3.88Å; R217-I234 HydrophobicContact CB-CG1 3.67Å; R217-I234 PolarHBondContact O-N 3.28Å; K219-I234 HydrophobicContact CB-CG2 3.67Å; K232-I234 PolarHBondContact O-N 3.46Å; I234-R259 HydrophobicContact CB-CB 4.11Å; I234-L260 PolarHBondContact O-N 3.45Å; I234-A261 WeakPolarHBondContact O-CB 3.36Å; I234-A261 PolarHBondContact O-N 2.96Å; I234-A261 VanDerWaalsContact O-N 3.07Å
235D96.2Very high94.9Very high12 Ų1250.4 Ų50.46%0.06425%0.253CS..THydrogen-bonded Turntrans-111.3-2.5178.6-59.1-40.7000113.9F179 R217 L233 L260F179-D235 HydrophobicContact CD2-CB 3.9Å; F179-D235 HydrophobicContact CE2-CB 3.8Å; R217-D235 IonicContact CZ-OD1 3.43Å; R217-D235 IonicContact CZ-OD2 3.52Å; R217-D235 IonicContact NE-OD1 2.75Å; R217-D235 IonicContact NE-OD2 2.76Å; R217-D235 PolarHBondContact NE-OD2 3.2Å; R217-D235 VanDerWaalsContact NH2-CG 3.29Å; R217-D235 IonicContact NH2-OD1 2.71Å; R217-D235 PolarHBondContact NH2-OD1 3.06Å; R217-D235 IonicContact NH2-OD2 3.46Å; R217-D235 PolarHBondContact NH2-OD2 3.23Å; R217-D235 VanDerWaalsContact NH2-OD2 3.11Å; L233-D235 PolarHBondContact O-N 3.17Å; D235-L260 HydrophobicContact CB-CB 4.24Å; D235-L260 VanDerWaalsContact OD1-CB 3.26Å; D235-L260 WeakPolarHBondContact OD1-CB 3.23Å; D235-L260 VanDerWaalsContact OD1-CG 3.31Å; D235-L260 WeakPolarHBondContact OD1-CG 3.36Å; D235-L260 PolarHBondContact OD1-N 3.08Å
236L95.9Very high95.1Very high28 Ų2844.8 Ų44.815%0.14723%0.231CC..THydrogen-bonded Turntrans-120.6-19.9176.3-59.1178.5000112.6L160 F179 L233 C238L160-L236 VanDerWaalsContact CB-O 3.22Å; L160-L236 WeakPolarHBondContact CB-O 3.24Å; F179-L236 HydrophobicContact CE2-CD2 4.14Å; F179-L236 HydrophobicContact CZ-CD2 4.07Å; L233-L236 HydrophobicContact CB-CB 4.11Å; L233-L236 HydrophobicContact CB-CD1 4.41Å; L233-L236 HydrophobicContact CD1-CD1 3.97Å; L233-L236 PolarHBondContact O-N 2.91Å; L236-C238 PolarHBondContact O-N 3.29Å
237G94.2Very high95.3Very high1 Ų140.6 Ų40.61%0.0121%0.209CC..  trans88.2-33.5176.300000114.8H169 K232 L233 A261H169-G237 PolarHBondContact CE1-O 3.05Å; H169-G237 VanDerWaalsContact CE1-O 3.26Å; H169-G237 VanDerWaalsContact CG-CA 3.4Å; H169-G237 PolarHBondContact ND1-O 3.37Å; K232-G237 WeakPolarHBondContact CE-O 3.04Å; K232-G237 PolarHBondContact NZ-O 3.31Å; L233-G237 PolarHBondContact O-N 3.46Å; G237-A261 VanDerWaalsContact N-CB 3.35Å
238C95.3Very high95.4Very high25 Ų2541.4 Ų41.417%0.16920%0.201CC..  trans-64.1161.3-179.8600000113.8D161 K232 L233 L236D161-C238 HydrophobicContact CB-CB 4.27Å; D161-C238 WeakPolarHBondContact OD2-CA 3.48Å; D161-C238 PolarHBondContact OD2-N 3.05Å; K232-C238 WeakPolarHBondContact CA-O 3.32Å; L233-C238 PolarHBondContact N-O 3.12Å; L236-C238 PolarHBondContact O-N 3.29Å
239V96.2Very high95.2Very high72 Ų7241.6 Ų41.644%0.43621%0.208SC..EExtended strand (participates in β ladder)trans-117.1132.2177.4-179.70000108.8I221 E230 V231 K232I221-V239 HydrophobicContact CD1-CB 4.29Å; I221-V239 HydrophobicContact CD1-CG1 3.55Å; I221-V239 HydrophobicContact CD1-CG2 3.7Å; E230-V239 HydrophobicContact CB-CG1 4.16Å; E230-V239 HydrophobicContact CG-CG1 4.16Å; V231-V239 WeakPolarHBondContact O-CA 3Å; K232-V239 HydrophobicContact CB-CG2 4.27Å; K232-V239 HydrophobicContact CG-CG2 4.41Å
240V97Very high94.9Very high36 Ų3642.5 Ų42.522%0.21821%0.213CC..EExtended strand (participates in β ladder)trans-133.3142.7-176.2-177.60000109.8V231 L233 F242V231-V240 PolarHBondContact N-O 3.41Å; V231-V240 PolarHBondContact O-N 2.85Å; L233-V240 HydrophobicContact CD1-CG2 4.12Å; L233-V240 HydrophobicContact CG-CG2 4.46Å; V240-F242 HydrophobicContact CB-CD2 4.32Å; V240-F242 HydrophobicContact CB-CE2 3.61Å; V240-F242 HydrophobicContact CB-CZ 3.98Å; V240-F242 HydrophobicContact CG1-CD2 4.24Å; V240-F242 HydrophobicContact CG1-CE1 4.28Å; V240-F242 HydrophobicContact CG1-CE2 3.69Å; V240-F242 HydrophobicContact CG1-CZ 3.7Å
241N96.7Very high94.4Very high76 Ų7642.1 Ų42.141%0.40621%0.212SC..EExtended strand (participates in β ladder)trans-88.3126.7175.7-69.1-34.9000110.3N224 K228 I229 E230N224-N241 PolarHBondContact ND2-OD1 3.35Å; K228-N241 HydrophobicContact CB-CB 4.26Å; K228-N241 HydrophobicContact CD-CB 4Å; I229-N241 WeakPolarHBondContact O-CA 3.39Å; E230-N241 WeakPolarHBondContact CG-OD1 3.49Å
242F96.3Very high93.5Very high16 Ų1649 Ų497%0.0724%0.244CC..EExtended strand (participates in β ladder)trans-125.8150.2176.7-64.9-86.1000110.9V209 Q210 H211 I229 V231 L233 V240 R246 L247V209-F242 HydrophobicContact CB-CD1 4.35Å; V209-F242 HydrophobicContact CB-CD2 4.45Å; V209-F242 HydrophobicContact CB-CE1 3.97Å; V209-F242 HydrophobicContact CB-CE2 4.05Å; V209-F242 HydrophobicContact CB-CZ 3.8Å; V209-F242 HydrophobicContact CG1-CD2 4.13Å; V209-F242 HydrophobicContact CG1-CE2 4.15Å; V209-F242 HydrophobicContact CG1-CG 4.3Å; V209-F242 HydrophobicContact CG1-CZ 4.37Å; V209-F242 HydrophobicContact CG2-CE1 4.29Å; V209-F242 HydrophobicContact CG2-CE2 3.79Å; V209-F242 HydrophobicContact CG2-CZ 3.62Å; Q210-F242 WeakPolarHBondContact O-CE1 3.41Å; H211-F242 HydrophobicContact CB-CZ 4.37Å; I229-F242 PolarHBondContact N-O 3.06Å; I229-F242 PolarHBondContact O-N 3.49Å; V231-F242 HydrophobicContact CB-CD2 3.8Å; V231-F242 HydrophobicContact CB-CE2 3.96Å; V231-F242 HydrophobicContact CG2-CD2 3.8Å; V231-F242 HydrophobicContact CG2-CE2 4.43Å; L233-F242 HydrophobicContact CD2-CE2 4.28Å; L233-F242 HydrophobicContact CD2-CZ 4.43Å; V240-F242 HydrophobicContact CB-CD2 4.32Å; V240-F242 HydrophobicContact CB-CE2 3.61Å; V240-F242 HydrophobicContact CB-CZ 3.98Å; V240-F242 HydrophobicContact CG1-CD2 4.24Å; V240-F242 HydrophobicContact CG1-CE1 4.28Å; V240-F242 HydrophobicContact CG1-CE2 3.69Å; V240-F242 HydrophobicContact CG1-CZ 3.7Å; F242-R246 HydrophobicContact CB-CB 4.46Å; F242-R246 HydrophobicContact CD1-CB 4.36Å; F242-L247 HydrophobicContact CB-CD1 3.53Å; F242-L247 HydrophobicContact CG-CD1 4.32Å
243E94.6Very high92.7Very high76 Ų7647.8 Ų47.836%0.35524%0.24SC..  trans-72.4151.7164-55.6-55.4162.400109.8K228 D245 R246 L247K228-E243 WeakPolarHBondContact CE-OE1 3.27Å; K228-E243 VanDerWaalsContact CG-OE1 3.29Å; K228-E243 WeakPolarHBondContact CG-OE1 3.48Å; K228-E243 WeakPolarHBondContact CG-OE2 3.14Å; K228-E243 IonicContact NZ-OE1 3.08Å; K228-E243 PolarHBondContact NZ-OE1 3.16Å; K228-E243 VanDerWaalsContact NZ-OE1 3.08Å; E243-D245 VanDerWaalsContact C-N 3.28Å; E243-D245 WeakPolarHBondContact CB-OD1 3.22Å; E243-D245 PolarHBondContact O-N 3.4Å; E243-R246 WeakPolarHBondContact O-CB 3.32Å; E243-R246 PolarHBondContact O-N 3.28Å; E243-L247 WeakPolarHBondContact O-CD1 2.93Å
244Q91.9Very high92.2Very high59 Ų5947.8 Ų47.828%0.27624%0.24SC..G310 helixtrans-64.4-30.2-171.4170.6163.7-10.500113.5A198 K199 L201 I229 R246 L247A198-Q244 PolarHBondContact O-NE2 2.67Å; A198-Q244 VanDerWaalsContact O-NE2 3.14Å; K199-Q244 PolarHBondContact O-NE2 2.73Å; K199-Q244 VanDerWaalsContact O-NE2 3.08Å; L201-Q244 HydrophobicContact CD1-CB 4.2Å; L201-Q244 HydrophobicContact CD1-CG 3.72Å; L201-Q244 HydrophobicContact CG-CG 4.35Å; I229-Q244 HydrophobicContact CG1-CB 4.37Å; Q244-R246 PolarHBondContact O-N 3.36Å; Q244-L247 PolarHBondContact O-N 3.06Å
245D92.9Very high91.6Very high93 Ų9348.6 Ų48.650%0.49725%0.251SS..G310 helixtrans-62.8-14.717366.7-40.7000113.5P197 E243P197-D245 WeakPolarHBondContact CB-O 3.18Å; P197-D245 WeakPolarHBondContact CG-O 3.47Å; E243-D245 VanDerWaalsContact C-N 3.28Å; E243-D245 WeakPolarHBondContact CB-OD1 3.22Å; E243-D245 PolarHBondContact O-N 3.4Å
246R94.5Very high90.7Very high149 Ų14953.1 Ų53.156%0.56228%0.275SS*.G310 helixtrans-98.4-0.5179-55.8-175.3-176-149.9-3.5114F242 E243 Q244F242-R246 HydrophobicContact CB-CB 4.46Å; F242-R246 HydrophobicContact CD1-CB 4.36Å; E243-R246 WeakPolarHBondContact O-CB 3.32Å; E243-R246 PolarHBondContact O-N 3.28Å; Q244-R246 PolarHBondContact O-N 3.36Å
247L94.9Very high89.9Confident0 Ų052.9 Ų52.90%028%0.275CS..EExtended strand (participates in β ladder)trans-96.7124.2173.3-81.368.6000109.3P197 A198 L201 V207 V209 V220 I229 V231 F242 E243 Q244P197-L247 CarbonylContact C-O 3.56Å; P197-L247 VanDerWaalsContact CA-O 3.32Å; P197-L247 WeakPolarHBondContact CA-O 3.46Å; A198-L247 PolarHBondContact N-O 3.46Å; L201-L247 HydrophobicContact CD1-CD2 3.89Å; L201-L247 HydrophobicContact CD2-CB 4.27Å; L201-L247 HydrophobicContact CD2-CD2 3.67Å; L201-L247 HydrophobicContact CG-CD2 4.46Å; V207-L247 HydrophobicContact CG1-CB 4.49Å; V207-L247 HydrophobicContact CG1-CD2 4.3Å; V207-L247 HydrophobicContact CG2-CD2 4.3Å; V207-L247 HydrophobicContact CG2-CG 4.3Å; V209-L247 HydrophobicContact CG1-CD1 4.11Å; V209-L247 HydrophobicContact CG1-CG 3.93Å; V220-L247 HydrophobicContact CG2-CD2 3.76Å; I229-L247 HydrophobicContact CB-CD1 4.31Å; I229-L247 HydrophobicContact CB-CD2 4.06Å; I229-L247 HydrophobicContact CG1-CD2 4.27Å; I229-L247 HydrophobicContact CG2-CD2 3.7Å; V231-L247 HydrophobicContact CG2-CD1 4.16Å; V231-L247 HydrophobicContact CG2-CD2 3.91Å; V231-L247 HydrophobicContact CG2-CG 4.15Å; F242-L247 HydrophobicContact CB-CD1 3.53Å; F242-L247 HydrophobicContact CG-CD1 4.32Å; E243-L247 WeakPolarHBondContact O-CD1 2.93Å; Q244-L247 PolarHBondContact O-N 3.06Å
248Y94.3Very high89.3Confident56 Ų5655.8 Ų55.822%0.2229%0.293CS..EExtended strand (participates in β ladder)trans-113.7151.2178.7-68.7-104.5000110.2L195 P197 V207 A208 W215 L250L195-Y248 HydrophobicContact CB-CD1 4.2Å; L195-Y248 WeakPolarHBondContact O-CE1 3.04Å; P197-Y248 HydrophobicContact CG-CE1 4.09Å; V207-Y248 CarbonylContact C-O 3.59Å; V207-Y248 WeakPolarHBondContact CA-O 3.29Å; V207-Y248 WeakPolarHBondContact CB-O 3.49Å; A208-Y248 PolarHBondContact N-O 3.36Å; A208-Y248 PolarHBondContact O-N 3.37Å; W215-Y248 HydrophobicContact CH2-CD1 4.33Å; W215-Y248 AromaticContact CH2-CD2 3.55Å; W215-Y248 HydrophobicContact CH2-CD2 3.55Å; W215-Y248 HydrophobicContact CH2-CE1 4.34Å; W215-Y248 AromaticContact CH2-CE2 3.59Å; W215-Y248 HydrophobicContact CH2-CE2 3.59Å; W215-Y248 AromaticContact CH2-CG 3.94Å; W215-Y248 HydrophobicContact CH2-CG 3.94Å; W215-Y248 AromaticContact CH2-CZ 3.99Å; W215-Y248 AromaticContact CZ3-CD2 3.53Å; W215-Y248 HydrophobicContact CZ3-CD2 3.53Å; W215-Y248 HydrophobicContact CZ3-CE2 4.03Å; W215-Y248 AromaticContact CZ3-CG 3.91Å; W215-Y248 HydrophobicContact CZ3-CG 3.91Å; Y248-L250 PolarHBondContact O-N 3.47Å
249P90.7Very high88.9Confident63 Ų6359.7 Ų59.741%0.40930%0.304SS..EExtended strand (participates in β ladder)trans-57.7136.4172.7-21.733.2000110.7Y190 N196 A198 P251Y190-P249 PolarHBondContact OH-O 3.34Å; N196-P249 WeakPolarHBondContact O-CD 3.02Å; A198-P249 HydrophobicContact CB-CG 4.48Å; P249-P251 WeakPolarHBondContact O-CD 3.44Å
250L90.3Very high88.6Confident22 Ų2256.4 Ų56.412%0.11528%0.284CS..PPolyproline II helixtrans-91.5117.4175.3-171.668.8000110.4M186 P206 A208 R217 Y248 F254 A255M186-L250 HydrophobicContact CE-CD1 3.74Å; P206-L250 HydrophobicContact CB-CB 4.27Å; P206-L250 HydrophobicContact CB-CD2 3.82Å; A208-L250 HydrophobicContact CB-CD1 4.08Å; R217-L250 HydrophobicContact CB-CD2 4.46Å; R217-L250 HydrophobicContact CG-CD1 4.13Å; R217-L250 HydrophobicContact CG-CD2 4.42Å; Y248-L250 PolarHBondContact O-N 3.47Å; L250-F254 HydrophobicContact CD1-CB 3.73Å; L250-F254 HydrophobicContact CD1-CG 4.49Å; L250-F254 HydrophobicContact CD2-CB 4.44Å; L250-F254 HydrophobicContact CG-CB 4.01Å; L250-A255 HydrophobicContact CD2-CB 4.15Å
251P84.8Confident88.4Confident21 Ų2154.8 Ų54.814%0.13627%0.274CS..PPolyproline II helixtrans-55.6144.1174.4-2630.6000113F189 Y190 P249 M253 F254 A255F189-P251 HydrophobicContact CD1-CG 4.19Å; F189-P251 HydrophobicContact CE1-CG 3.41Å; F189-P251 VanDerWaalsContact CE1-CG 3.41Å; F189-P251 HydrophobicContact CE2-CG 3.99Å; F189-P251 HydrophobicContact CZ-CB 4.24Å; F189-P251 HydrophobicContact CZ-CG 3.3Å; Y190-P251 WeakPolarHBondContact OH-CD 3.45Å; P249-P251 WeakPolarHBondContact O-CD 3.44Å; P251-M253 HydrophobicContact CB-CG 4.12Å; P251-M253 PolarHBondContact O-N 2.76Å; P251-M253 VanDerWaalsContact O-N 3.16Å; P251-F254 HydrophobicContact CB-CD2 3.91Å; P251-F254 HydrophobicContact CB-CE2 4.4Å; P251-F254 HydrophobicContact CG-CD2 3.91Å; P251-F254 HydrophobicContact CG-CE2 4.2Å; P251-F254 PolarHBondContact O-N 3.19Å; P251-A255 PolarHBondContact O-N 3.27Å; P251-A255 VanDerWaalsContact O-N 3.11Å
252E78.8Confident88Confident144 Ų14452.6 Ų52.667%0.67326%0.262SS*.Hα-helixtrans-53.8-39.6-176.6-172.4-179.9-176.500112.8F254 A255 L256E252-F254 PolarHBondContact O-N 3.19Å; E252-F254 VanDerWaalsContact O-N 3.1Å; E252-A255 PolarHBondContact O-N 2.91Å; E252-L256 HydrophobicContact CG-CD1 3.94Å; E252-L256 HydrophobicContact CG-CG 3.96Å; E252-L256 WeakPolarHBondContact O-CG 3.29Å; E252-L256 PolarHBondContact O-N 3.12Å
253M79.1Confident87.7Confident24 Ų2452.7 Ų52.712%0.11826%0.263CS..Hα-helixtrans-54.5-31.217672.2-170.5-59.500114P251 F340 V344 Q347P251-M253 HydrophobicContact CB-CG 4.12Å; P251-M253 PolarHBondContact O-N 2.76Å; P251-M253 VanDerWaalsContact O-N 3.16Å; M253-F340 HydrophobicContact CE-CE2 4.06Å; M253-F340 HydrophobicContact CE-CZ 4.11Å; M253-V344 HydrophobicContact CE-CB 4.32Å; M253-V344 HydrophobicContact CE-CG2 3.46Å; M253-V344 VanDerWaalsContact CE-CG2 3.46Å; M253-Q347 PolarHBondContact SD-OE1 3.2Å; M253-Q347 VanDerWaalsContact SD-OE1 3.35Å
254F86Confident87.3Confident0 Ų049 Ų490%025%0.246CC..Hα-helixtrans-93.2-22.2176.3-59.4-59.9000112.1I182 M186 F189 R217 L250 P251 E252 F340I182-F254 HydrophobicContact CD1-CD1 4.09Å; I182-F254 HydrophobicContact CG2-CD1 4.29Å; M186-F254 HydrophobicContact CG-CD1 3.82Å; M186-F254 HydrophobicContact CG-CD2 4.28Å; M186-F254 HydrophobicContact CG-CE1 3.76Å; M186-F254 HydrophobicContact CG-CE2 4.22Å; M186-F254 HydrophobicContact CG-CG 4.09Å; M186-F254 HydrophobicContact CG-CZ 3.97Å; F189-F254 HydrophobicContact CB-CE2 4.01Å; F189-F254 HydrophobicContact CB-CZ 4.03Å; F189-F254 HydrophobicContact CD1-CE2 4.18Å; F189-F254 HydrophobicContact CD2-CE2 4.15Å; F189-F254 AromaticContact CG-CE2 3.85Å; F189-F254 HydrophobicContact CG-CE2 3.85Å; F189-F254 HydrophobicContact CG-CZ 4.33Å; R217-F254 VanDerWaalsContact CD-O 3.23Å; R217-F254 WeakPolarHBondContact CD-O 3.46Å; R217-F254 PolarHBondContact NH1-O 3.09Å; L250-F254 HydrophobicContact CD1-CB 3.73Å; L250-F254 HydrophobicContact CD1-CG 4.49Å; L250-F254 HydrophobicContact CD2-CB 4.44Å; L250-F254 HydrophobicContact CG-CB 4.01Å; P251-F254 HydrophobicContact CB-CD2 3.91Å; P251-F254 HydrophobicContact CB-CE2 4.4Å; P251-F254 HydrophobicContact CG-CD2 3.91Å; P251-F254 HydrophobicContact CG-CE2 4.2Å; P251-F254 PolarHBondContact O-N 3.19Å; E252-F254 PolarHBondContact O-N 3.19Å; E252-F254 VanDerWaalsContact O-N 3.1Å; F254-F340 HydrophobicContact CD1-CZ 4.41Å; F254-F340 HydrophobicContact CE1-CE1 4.34Å; F254-F340 HydrophobicContact CE1-CZ 4.06Å
255A82.5Confident87Confident47 Ų4747.7 Ų47.739%0.38824%0.239SC..Hα-helixtrans-77.9-31.3174.800000113L250 P251 E252 V257L250-A255 HydrophobicContact CD2-CB 4.15Å; P251-A255 PolarHBondContact O-N 3.27Å; P251-A255 VanDerWaalsContact O-N 3.11Å; E252-A255 PolarHBondContact O-N 2.91Å; A255-V257 VanDerWaalsContact C-N 3.27Å; A255-V257 PolarHBondContact O-N 3.43Å
256L77.8Confident86.7Confident108 Ų10843.7 Ų43.757%0.56522%0.217SC*.SBendtrans-67.4-21.2179.4-75.3169.7000114.2E252E252-L256 HydrophobicContact CG-CD1 3.94Å; E252-L256 HydrophobicContact CG-CG 3.96Å; E252-L256 WeakPolarHBondContact O-CG 3.29Å; E252-L256 PolarHBondContact O-N 3.12Å
257V79.7Confident85.9Confident23 Ų2338.7 Ų38.714%0.13920%0.2CC..SBendtrans-80.3134.4177.9178.50000109.5L178 I182 R217 A255L178-V257 HydrophobicContact CD1-CG1 4.2Å; L178-V257 HydrophobicContact CD2-CG1 4.01Å; L178-V257 HydrophobicContact CG-CG1 4.21Å; I182-V257 HydrophobicContact CD1-CB 4.46Å; I182-V257 HydrophobicContact CD1-CG2 3.86Å; I182-V257 HydrophobicContact CG1-CG1 4.37Å; R217-V257 PolarHBondContact NH1-O 2.71Å; A255-V257 VanDerWaalsContact C-N 3.27Å; A255-V257 PolarHBondContact O-N 3.43Å
258P80.4Confident84.7Confident61 Ų6145.4 Ų45.440%0.39623%0.232SC..PPolyproline II helixtrans-58.5159.7177.9-2533.7000113.6I144 R217 L260I144-P258 HydrophobicContact CD1-CG 3.54Å; I144-P258 HydrophobicContact CG1-CG 4.38Å; R217-P258 PolarHBondContact NH2-O 2.75Å; P258-L260 PolarHBondContact O-N 2.88Å
259R87.7Confident83.1Confident107 Ų10745.3 Ų45.340%0.40424%0.237SC..PPolyproline II helixtrans-55.613216666.7-178.5-178.6170.13.4109.8I234 G303I234-R259 HydrophobicContact CB-CB 4.11Å; R259-G303 PolarHBondContact NH2-O 2.9Å
260L89.3Confident81.1Confident3 Ų345.6 Ų45.62%0.01624%0.238CC..SBendtrans-96.9-11.3179.8-54.1178.9000112.8R171 L175 L178 F179 I234 D235 P258R171-L260 WeakPolarHBondContact CB-O 3.43Å; R171-L260 WeakPolarHBondContact CG-O 3.48Å; L175-L260 HydrophobicContact CB-CD2 4.49Å; L175-L260 HydrophobicContact CD1-CD2 4.47Å; L178-L260 HydrophobicContact CD2-CD2 3.87Å; L178-L260 HydrophobicContact CG-CD1 4.25Å; L178-L260 HydrophobicContact CG-CD2 4.28Å; F179-L260 VanDerWaalsContact CA-CD1 3.49Å; F179-L260 HydrophobicContact CB-CD1 3.79Å; F179-L260 HydrophobicContact CD2-CD1 4.28Å; I234-L260 PolarHBondContact O-N 3.45Å; D235-L260 HydrophobicContact CB-CB 4.24Å; D235-L260 VanDerWaalsContact OD1-CB 3.26Å; D235-L260 WeakPolarHBondContact OD1-CB 3.23Å; D235-L260 VanDerWaalsContact OD1-CG 3.31Å; D235-L260 WeakPolarHBondContact OD1-CG 3.36Å; D235-L260 PolarHBondContact OD1-N 3.08Å; P258-L260 PolarHBondContact O-N 2.88Å
261A92.9Very high78.8Confident2 Ų253.4 Ų53.42%0.01727%0.273CS..  trans-94.1115.9166.300000110.9L160 I234 G237L160-A261 HydrophobicContact CD1-CB 3.51Å; I234-A261 WeakPolarHBondContact O-CB 3.36Å; I234-A261 PolarHBondContact O-N 2.96Å; I234-A261 VanDerWaalsContact O-N 3.07Å; G237-A261 VanDerWaalsContact N-CB 3.35Å
262F88.5Confident76.8Confident31 Ų3163.6 Ų63.614%0.13631%0.309CS..EExtended strand (participates in β ladder)trans-88.2135.8172-68.1-100.7000109F147 I149 H169 V170 F172 L175 L305F147-F262 HydrophobicContact CE1-CE2 4.4Å; F147-F262 AromaticContact CE1-CZ 3.91Å; F147-F262 HydrophobicContact CE1-CZ 3.91Å; I149-F262 HydrophobicContact CD1-CE1 4.01Å; H169-F262 VanDerWaalsContact CA-O 3.23Å; H169-F262 WeakPolarHBondContact CA-O 3.09Å; V170-F262 HydrophobicContact CG2-CB 4.29Å; V170-F262 PolarHBondContact N-O 3.47Å; V170-F262 PolarHBondContact O-N 2.93Å; F172-F262 AromaticContact CD2-CD2 3.9Å; F172-F262 HydrophobicContact CD2-CD2 3.9Å; F172-F262 HydrophobicContact CD2-CE2 4.12Å; F172-F262 HydrophobicContact CD2-CG 4.4Å; F172-F262 HydrophobicContact CE2-CB 4.39Å; F172-F262 HydrophobicContact CE2-CD1 4.42Å; F172-F262 AromaticContact CE2-CD2 3.96Å; F172-F262 HydrophobicContact CE2-CD2 3.96Å; F172-F262 HydrophobicContact CE2-CE2 4.41Å; F172-F262 AromaticContact CE2-CG 3.98Å; F172-F262 HydrophobicContact CE2-CG 3.98Å; L175-F262 HydrophobicContact CD1-CE2 3.58Å; L175-F262 HydrophobicContact CD1-CZ 4.23Å; F262-L305 HydrophobicContact CB-CD1 3.99Å; F262-L305 HydrophobicContact CD1-CD1 3.71Å; F262-L305 HydrophobicContact CD1-CG 4.48Å; F262-L305 HydrophobicContact CG-CD1 4.07Å
263T89.7Confident75.2Confident17 Ų1759.7 Ų59.710%0.10429%0.292CS..EExtended strand (participates in β ladder)trans-84.4137.2170.9-53.80000108.8T167 F168 H169 K304 L305T167-T263 HydrophobicContact CG2-CG2 4.15Å; F168-T263 CarbonylContact O-C 3.54Å; F168-T263 WeakPolarHBondContact O-CA 3.31Å; H169-T263 PolarHBondContact CD2-OG1 2.91Å; H169-T263 WeakPolarHBondContact NE2-CG2 3.33Å; H169-T263 PolarHBondContact NE2-OG1 2.92Å; T263-K304 HydrophobicContact CG2-CD 4.16Å; T263-K304 HydrophobicContact CG2-CG 3.83Å; T263-K304 CarbonylContact O-C 3.47Å; T263-K304 WeakPolarHBondContact O-CA 3.38Å; T263-L305 PolarHBondContact O-N 2.88Å
264C87.5Confident73.5Confident0 Ų066.5 Ų66.50%033%0.329CS..EExtended strand (participates in β ladder)trans-136.9161.4-168.2-65.60000112.4T167 F168 L305 L307T167-C264 WeakPolarHBondContact CA-O 3.28Å; F168-C264 HydrophobicContact CD1-CB 4.32Å; F168-C264 HydrophobicContact CD2-CB 3.81Å; F168-C264 HydrophobicContact CE1-CB 4.03Å; F168-C264 HydrophobicContact CE2-CB 3.5Å; F168-C264 VanDerWaalsContact CE2-CB 3.5Å; F168-C264 HydrophobicContact CG-CB 4.22Å; F168-C264 HydrophobicContact CZ-CB 3.61Å; F168-C264 PolarHBondContact N-O 3.43Å; F168-C264 PolarHBondContact O-N 2.82Å; C264-L305 CarbonylContact C-O 3.28Å; C264-L305 WeakPolarHBondContact CA-O 3.34Å; C264-L307 HydrophobicContact CB-CD1 3.9Å; C264-L307 HydrophobicContact CB-CG 4.21Å; C264-L307 VanDerWaalsContact SG-CD1 3.6Å
265Y85.6Confident71.8Confident30 Ų3069.5 Ų69.512%0.11835%0.348CS..EExtended strand (participates in β ladder)trans-136.8158.4163.868.1-77.4000108.9P165 A299 Q301 K304 L305 G306 L307P165-Y265 CarbonylContact O-C 3.59Å; P165-Y265 VanDerWaalsContact O-CA 3.27Å; P165-Y265 WeakPolarHBondContact O-CA 3.03Å; Y265-A299 WeakPolarHBondContact OH-CB 3.46Å; Y265-Q301 HydrophobicContact CE1-CB 4.22Å; Y265-K304 HydrophobicContact CD1-CB 3.9Å; Y265-K304 HydrophobicContact CD1-CD 4.4Å; Y265-K304 HydrophobicContact CE1-CB 4.34Å; Y265-L305 WeakPolarHBondContact CD1-O 3.34Å; Y265-L305 PolarHBondContact N-O 3.37Å; Y265-G306 VanDerWaalsContact CE1-N 3.29Å; Y265-G306 VanDerWaalsContact CZ-CA 3.49Å; Y265-G306 WeakPolarHBondContact O-CA 3.31Å; Y265-L307 PolarHBondContact O-N 2.85Å
266I86.1Confident70.2Confident9 Ų970.6 Ų70.65%0.04635%0.347CS..EExtended strand (participates in β ladder)trans-77125.1173-60-172.3000107.6W162 P165 F168 V269 W277 I286 L307 L309W162-I266 HydrophobicContact CH2-CD1 4.26Å; P165-I266 HydrophobicContact CB-CB 4.35Å; P165-I266 HydrophobicContact CB-CD1 3.89Å; P165-I266 HydrophobicContact CB-CG1 4.07Å; P165-I266 PolarHBondContact O-N 2.94Å; F168-I266 HydrophobicContact CE1-CG1 3.73Å; F168-I266 HydrophobicContact CZ-CG1 4.12Å; I266-V269 HydrophobicContact CB-CG2 3.56Å; I266-V269 HydrophobicContact CG2-CG2 3.6Å; I266-W277 HydrophobicContact CD1-CB 4.35Å; I266-I286 HydrophobicContact CD1-CD1 4.4Å; I266-L307 CarbonylContact C-O 3.6Å; I266-L307 WeakPolarHBondContact CA-O 3.23Å; I266-L309 HydrophobicContact CD1-CD1 3.94Å; I266-L309 HydrophobicContact CG1-CD1 4.2Å
267H77Confident69.2Low44 Ų4467 Ų6720%0.20433%0.326CS..THydrogen-bonded Turntrans-72.6145.4175.3-169.379.8000110V269 E298 L307H267-V269 PolarHBondContact O-N 2.77Å; H267-E298 HydrophobicContact CB-CB 3.91Å; H267-E298 HydrophobicContact CB-CG 3.84Å; H267-E298 VanDerWaalsContact CD2-CB 3.49Å; H267-E298 WeakPolarHBondContact CD2-CB 3.11Å; H267-L307 PolarHBondContact N-O 3.09Å
268Q69.7Low67.8Low141 Ų14169.2 Ų69.266%0.65934%0.342SS*.THydrogen-bonded Turntrans47.353.1179.7-72.617149.700114.5T270Q268-T270 PolarHBondContact O-N 2.98Å
269V61.1Low66.5Low54 Ų5474.8 Ų74.833%0.32736%0.355SS..  trans-72.775163.6-173.50000108.9P165 W166 I266 H267P165-V269 HydrophobicContact CB-CG2 4.37Å; W166-V269 HydrophobicContact CH2-CB 3.82Å; W166-V269 HydrophobicContact CH2-CG2 4.26Å; W166-V269 HydrophobicContact CZ2-CB 4.11Å; W166-V269 HydrophobicContact CZ2-CG1 4.32Å; W166-V269 HydrophobicContact CZ3-CB 4.49Å; W166-V269 HydrophobicContact CZ3-CG2 4.49Å; I266-V269 HydrophobicContact CB-CG2 3.56Å; I266-V269 HydrophobicContact CG2-CG2 3.6Å; H267-V269 PolarHBondContact O-N 2.77Å
270T47.4Very low64.6Low70 Ų7073.3 Ų73.343%0.42937%0.366SS..  trans-75144.9172.2890000109.3Q268 R272 D273Q268-T270 PolarHBondContact O-N 2.98Å; T270-R272 PolarHBondContact O-N 2.73Å; T270-R272 PolarHBondContact OG1-N 2.77Å; T270-D273 WeakPolarHBondContact CB-OD2 3.23Å; T270-D273 VanDerWaalsContact CG2-OD2 3.27Å; T270-D273 WeakPolarHBondContact CG2-OD2 3.47Å; T270-D273 PolarHBondContact N-OD2 3.42Å; T270-D273 PolarHBondContact O-N 2.71Å; T270-D273 VanDerWaalsContact O-N 3.17Å; T270-D273 PolarHBondContact OG1-N 3.24Å; T270-D273 PolarHBondContact OG1-OD2 2.93Å
271H43.2Very low63Low185 Ų18583.1 Ų83.186%0.85640%0.403SS*.THydrogen-bonded Turntrans-69.74.9-178.9-125.5-80.6000113.9
272R42.6Very low61.7Low235 Ų23583.2 Ų83.289%0.88740%0.403SS*.THydrogen-bonded Turntrans-120.4-1.4178.4-66.4-172.2176.4-161.1-0.5113.4T270 N274T270-R272 PolarHBondContact O-N 2.73Å; T270-R272 PolarHBondContact OG1-N 2.77Å; R272-N274 PolarHBondContact O-N 3.5Å
273D45.4Very low61Low62 Ų6285.8 Ų85.833%0.33242%0.416SS..  trans-68.3104.4179.1-87.1-64.3000111.4T270 T275T270-D273 WeakPolarHBondContact CB-OD2 3.23Å; T270-D273 VanDerWaalsContact CG2-OD2 3.27Å; T270-D273 WeakPolarHBondContact CG2-OD2 3.47Å; T270-D273 PolarHBondContact N-OD2 3.42Å; T270-D273 PolarHBondContact O-N 2.71Å; T270-D273 VanDerWaalsContact O-N 3.17Å; T270-D273 PolarHBondContact OG1-N 3.24Å; T270-D273 PolarHBondContact OG1-OD2 2.93Å; D273-T275 HydrophobicContact CB-CG2 4.07Å; D273-T275 PolarHBondContact O-N 3.26Å
274N43.7Very low60.4Low167 Ų16789.9 Ų89.989%0.89344%0.441SS*.  trans-70.917.2169.8-1260.6000112.3R272R272-N274 PolarHBondContact O-N 3.5Å
275T49.2Very low59.7Low63 Ų6395.4 Ų95.439%0.38746%0.462SS..SBendtrans-64.7164.8169.568.30000110.1D273 W277 S278D273-T275 HydrophobicContact CB-CG2 4.07Å; D273-T275 PolarHBondContact O-N 3.26Å; T275-W277 PolarHBondContact O-N 2.93Å; T275-S278 PolarHBondContact O-OG 2.94Å; T275-S278 VanDerWaalsContact O-OG 3.08Å
276L49.9Very low59.4Low70 Ų7094 Ų9437%0.36646%0.457SS..THydrogen-bonded Turntrans-62.3-7.1179.6-63.3165000113.3S282 I314L276-S282 WeakPolarHBondContact O-CA 3.21Å; L276-S282 VanDerWaalsContact O-CB 3.28Å; L276-S282 WeakPolarHBondContact O-CB 3.34Å; L276-S282 PolarHBondContact O-OG 3.46Å; L276-I314 HydrophobicContact CD1-CD1 4.07Å
277W55.9Low59.2Low34 Ų3497 Ų9713%0.12947%0.472CS..THydrogen-bonded Turntrans-99.811-169.8-45.9136.9000114.7I266 T275 R279 S282 I286 L293 L309I266-W277 HydrophobicContact CD1-CB 4.35Å; T275-W277 PolarHBondContact O-N 2.93Å; W277-R279 VanDerWaalsContact C-N 3.31Å; W277-R279 PolarHBondContact O-N 2.94Å; W277-S282 WeakPolarHBondContact CA-OG 3.48Å; W277-S282 PolarHBondContact O-OG 2.94Å; W277-I286 HydrophobicContact CD2-CD1 4.45Å; W277-I286 HydrophobicContact CE3-CD1 3.73Å; W277-I286 HydrophobicContact CE3-CG1 3.57Å; W277-I286 HydrophobicContact CH2-CG1 4.21Å; W277-I286 HydrophobicContact CZ3-CD1 4.08Å; W277-I286 HydrophobicContact CZ3-CG1 3.37Å; W277-L293 HydrophobicContact CH2-CD2 4.14Å; W277-L309 HydrophobicContact CZ2-CB 3.78Å; W277-L309 WeakPolarHBondContact CZ2-O 3.3Å; W277-L309 PolarHBondContact NE1-O 3.38Å
278S51.9Low59.6Low68 Ų68101 Ų10148%0.47649%0.491SS..SBendtrans-64.272.2170.541.50000115.6T275 A280 S282T275-S278 PolarHBondContact O-OG 2.94Å; T275-S278 VanDerWaalsContact O-OG 3.08Å; S278-A280 VanDerWaalsContact C-N 3.3Å; S278-A280 PolarHBondContact O-N 3.07Å; S278-S282 PolarHBondContact N-OG 3.04Å
279R52.3Low60.2Low178 Ų17897 Ų9767%0.67247%0.47SS*.THydrogen-bonded Turntrans52.7-35.6159.4-160.7166.7179.3166.1-4.5120.9W277 S282W277-R279 VanDerWaalsContact C-N 3.31Å; W277-R279 PolarHBondContact O-N 2.94Å; R279-S282 PolarHBondContact N-OG 2.67Å
280A48.5Very low61.4Low77 Ų77100.7 Ų100.764%0.63648%0.478SS*.THydrogen-bonded Turntrans-118.6-54-174.200000113.5S278 S282S278-A280 VanDerWaalsContact C-N 3.3Å; S278-A280 PolarHBondContact O-N 3.07Å; A280-S282 PolarHBondContact O-N 3.05Å; A280-S282 VanDerWaalsContact O-N 3.16Å
281R55.1Low63.2Low208 Ų208106.6 Ų106.679%0.78549%0.493SS*.Hα-helixtrans-68.5-11.7173.8-71179.8172.8169.9-2.1113.2
282S65Low65Low4 Ų4102 Ų1023%0.02847%0.471CS..Hα-helixtrans-83.8-45-169.9-50.60000112.6L276 W277 S278 R279 A280 T284 R285 I286L276-S282 WeakPolarHBondContact O-CA 3.21Å; L276-S282 VanDerWaalsContact O-CB 3.28Å; L276-S282 WeakPolarHBondContact O-CB 3.34Å; L276-S282 PolarHBondContact O-OG 3.46Å; W277-S282 WeakPolarHBondContact CA-OG 3.48Å; W277-S282 PolarHBondContact O-OG 2.94Å; S278-S282 PolarHBondContact N-OG 3.04Å; R279-S282 PolarHBondContact N-OG 2.67Å; A280-S282 PolarHBondContact O-N 3.05Å; A280-S282 VanDerWaalsContact O-N 3.16Å; S282-T284 PolarHBondContact O-N 3.02Å; S282-R285 PolarHBondContact O-N 3.46Å; S282-R285 VanDerWaalsContact O-N 3.1Å; S282-I286 WeakPolarHBondContact O-CB 3.33Å; S282-I286 VanDerWaalsContact O-CG1 3.26Å; S282-I286 WeakPolarHBondContact O-CG1 3.32Å; S282-I286 PolarHBondContact O-N 3.37Å
283E74Confident67.1Low86 Ų8690.8 Ų90.840%0.40243%0.429SS..Hα-helixtrans-59.2-48.8-176.6177.1159.2-13400111.4W162 R285 I286 L287W162-E283 PolarHBondContact NE1-OE1 2.89Å; E283-R285 VanDerWaalsContact C-N 3.27Å; E283-R285 PolarHBondContact O-N 3.15Å; E283-I286 PolarHBondContact O-N 2.83Å; E283-L287 HydrophobicContact CG-CD1 3.72Å; E283-L287 HydrophobicContact CG-CG 4.37Å; E283-L287 WeakPolarHBondContact O-CB 3.18Å; E283-L287 VanDerWaalsContact O-CG 3.26Å; E283-L287 WeakPolarHBondContact O-CG 3.48Å; E283-L287 PolarHBondContact O-N 3.05Å
284T76.4Confident69Low102 Ų10288.8 Ų88.863%0.62642%0.419SS*.Hα-helixtrans-55.8-41175.6-40.90000112.2S282 Q288S282-T284 PolarHBondContact O-N 3.02Å; T284-Q288 WeakPolarHBondContact O-CB 3.42Å; T284-Q288 PolarHBondContact O-N 3.26Å
285R73.1Confident70.8Confident116 Ų11680.9 Ų80.944%0.43838%0.376SS..Hα-helixtrans-74.7-41.3179.7-73.4178.8167.4179.5-5.6112.7S282 E283 L287 Q288 Y289S282-R285 PolarHBondContact O-N 3.46Å; S282-R285 VanDerWaalsContact O-N 3.1Å; E283-R285 VanDerWaalsContact C-N 3.27Å; E283-R285 PolarHBondContact O-N 3.15Å; R285-L287 VanDerWaalsContact C-N 3.32Å; R285-L287 PolarHBondContact O-N 2.78Å; R285-Q288 PolarHBondContact O-N 2.8Å; R285-Y289 WeakPolarHBondContact O-CD2 3.43Å; R285-Y289 PolarHBondContact O-N 3.29Å
286I80.2Confident72.1Confident2 Ų279 Ų791%0.0137%0.365CS..Hα-helixtrans-59.7-44.9174.9-73.4173.6000110.2L159 W162 I266 W277 S282 E283 R290 L293 L309L159-I286 HydrophobicContact CD2-CG2 3.42Å; L159-I286 VanDerWaalsContact CD2-CG2 3.42Å; W162-I286 HydrophobicContact CD2-CG2 4.34Å; W162-I286 HydrophobicContact CE3-CG2 3.93Å; W162-I286 HydrophobicContact CH2-CD1 3.46Å; W162-I286 VanDerWaalsContact CH2-CD1 3.46Å; W162-I286 HydrophobicContact CH2-CG2 4.26Å; W162-I286 HydrophobicContact CZ2-CD1 4Å; W162-I286 HydrophobicContact CZ3-CD1 3.98Å; W162-I286 HydrophobicContact CZ3-CG2 3.91Å; I266-I286 HydrophobicContact CD1-CD1 4.4Å; W277-I286 HydrophobicContact CD2-CD1 4.45Å; W277-I286 HydrophobicContact CE3-CD1 3.73Å; W277-I286 HydrophobicContact CE3-CG1 3.57Å; W277-I286 HydrophobicContact CH2-CG1 4.21Å; W277-I286 HydrophobicContact CZ3-CD1 4.08Å; W277-I286 HydrophobicContact CZ3-CG1 3.37Å; S282-I286 WeakPolarHBondContact O-CB 3.33Å; S282-I286 VanDerWaalsContact O-CG1 3.26Å; S282-I286 WeakPolarHBondContact O-CG1 3.32Å; S282-I286 PolarHBondContact O-N 3.37Å; E283-I286 PolarHBondContact O-N 2.83Å; I286-R290 WeakPolarHBondContact O-CA 3.28Å; I286-R290 PolarHBondContact O-N 2.84Å; I286-R290 VanDerWaalsContact O-N 3.16Å; I286-L293 HydrophobicContact CG2-CD1 4.37Å; I286-L309 HydrophobicContact CD1-CD1 4.29Å
287L82.5Confident73.3Confident72 Ų7277 Ų7738%0.37736%0.355SS..Hα-helixtrans-72.7-35.9178.3-64.6173.1000112.4L159 W162 E283 R285 R290L159-L287 HydrophobicContact CD2-CD2 4.11Å; W162-L287 HydrophobicContact CB-CD2 4.18Å; W162-L287 HydrophobicContact CG-CD2 4.32Å; E283-L287 HydrophobicContact CG-CD1 3.72Å; E283-L287 HydrophobicContact CG-CG 4.37Å; E283-L287 WeakPolarHBondContact O-CB 3.18Å; E283-L287 VanDerWaalsContact O-CG 3.26Å; E283-L287 WeakPolarHBondContact O-CG 3.48Å; E283-L287 PolarHBondContact O-N 3.05Å; R285-L287 VanDerWaalsContact C-N 3.32Å; R285-L287 PolarHBondContact O-N 2.78Å; L287-R290 WeakPolarHBondContact O-CB 3.3Å; L287-R290 WeakPolarHBondContact O-CD 3.27Å; L287-R290 VanDerWaalsContact O-CG 3.22Å; L287-R290 WeakPolarHBondContact O-CG 3.36Å; L287-R290 PolarHBondContact O-N 3.44Å
288Q84.2Confident74.1Confident126 Ų12679.6 Ų79.659%0.58937%0.369SS*.Hα-helixtrans-60.1-48.6172.9179.7178.213.800111.5T284 R285 R290T284-Q288 WeakPolarHBondContact O-CB 3.42Å; T284-Q288 PolarHBondContact O-N 3.26Å; R285-Q288 PolarHBondContact O-N 2.8Å; Q288-R290 VanDerWaalsContact C-N 3.33Å; Q288-R290 PolarHBondContact O-N 2.85Å
289Y82.3Confident75Confident59 Ų5977.7 Ų77.723%0.23136%0.357CS..THydrogen-bonded Turntrans-90.716.6-178.2-61.4-64.6000114R285 R291 E292 L293 H311R285-Y289 WeakPolarHBondContact O-CD2 3.43Å; R285-Y289 PolarHBondContact O-N 3.29Å; Y289-R291 PolarHBondContact O-N 3.23Å; Y289-E292 PolarHBondContact O-N 3.19Å; Y289-L293 PolarHBondContact O-N 3Å; Y289-H311 AromaticContact CD1-NE2 3.78Å; Y289-H311 AromaticContact CD2-CD2 3.72Å; Y289-H311 AromaticContact CD2-NE2 3.8Å; Y289-H311 AromaticContact CE1-NE2 3.57Å; Y289-H311 AromaticContact CE2-CD2 3.89Å; Y289-H311 AromaticContact CE2-NE2 3.59Å; Y289-H311 AromaticContact CG-CD2 3.93Å; Y289-H311 AromaticContact CG-NE2 3.91Å; Y289-H311 AromaticContact CZ-NE2 3.47Å
290R86.4Confident76Confident130 Ų13076.8 Ų76.849%0.49136%0.355SS..THydrogen-bonded Turntrans-54.3-14.3-171.267.4178.2176.1156.6-4.7117.3T158 L159 I286 L287 Q288T158-R290 WeakPolarHBondContact CA-O 3.38Å; L159-R290 HydrophobicContact CB-CB 4.01Å; L159-R290 HydrophobicContact CD2-CB 4.17Å; L159-R290 PolarHBondContact N-O 2.76Å; I286-R290 WeakPolarHBondContact O-CA 3.28Å; I286-R290 PolarHBondContact O-N 2.84Å; I286-R290 VanDerWaalsContact O-N 3.16Å; L287-R290 WeakPolarHBondContact O-CB 3.3Å; L287-R290 WeakPolarHBondContact O-CD 3.27Å; L287-R290 VanDerWaalsContact O-CG 3.22Å; L287-R290 WeakPolarHBondContact O-CG 3.36Å; L287-R290 PolarHBondContact O-N 3.44Å; Q288-R290 VanDerWaalsContact C-N 3.33Å; Q288-R290 PolarHBondContact O-N 2.85Å
291R84.5Confident76.4Confident195 Ų19579 Ų7974%0.73635%0.352SS*.THydrogen-bonded Turntrans-109.7-7.2175.6-69.7-176.6178.9173.5-0.6114.3T158 Y289T158-R291 HydrophobicContact CG2-CG 4.44Å; Y289-R291 PolarHBondContact O-N 3.23Å
292E82.7Confident77.1Confident87 Ų8775.5 Ų75.541%0.40735%0.354SS..THydrogen-bonded Turntrans-116.3-0.2-176.7-44.8-178-158.100112.8Y289 P312 K313Y289-E292 PolarHBondContact O-N 3.19Å; E292-P312 HydrophobicContact CB-CG 3.81Å; E292-P312 WeakPolarHBondContact O-CB 3.38Å; E292-P312 WeakPolarHBondContact O-CD 3.41Å; E292-P312 WeakPolarHBondContact O-CG 3.32Å; E292-K313 IonicContact OE1-NZ 3.86Å; E292-K313 VanDerWaalsContact OE2-CE 3.28Å; E292-K313 WeakPolarHBondContact OE2-CE 3.18Å; E292-K313 IonicContact OE2-NZ 2.69Å; E292-K313 PolarHBondContact OE2-NZ 2.78Å
293L85.9Confident77.5Confident1 Ų176.5 Ų76.51%0.00537%0.365CS..  trans-66137.7-178.6-73.9172.6000112I157 L159 W277 I286 Y289I157-L293 HydrophobicContact CD1-CB 4.13Å; I157-L293 HydrophobicContact CG1-CB 3.88Å; I157-L293 VanDerWaalsContact CG1-O 3.23Å; I157-L293 WeakPolarHBondContact CG1-O 3.47Å; I157-L293 PolarHBondContact N-O 2.98Å; L159-L293 HydrophobicContact CB-CD1 4.46Å; W277-L293 HydrophobicContact CH2-CD2 4.14Å; I286-L293 HydrophobicContact CG2-CD1 4.37Å; Y289-L293 PolarHBondContact O-N 3Å
294N84.5Confident77.8Confident20 Ų2075.1 Ų75.111%0.10736%0.358CS..EExtended strand (participates in β ladder)trans-95.2151.5162.1-72.2-14.5000109.5Q154 T155 G310Q154-N294 HydrophobicContact CB-CB 3.89Å; Q154-N294 HydrophobicContact CG-CB 4.42Å; Q154-N294 PolarHBondContact OE1-ND2 3.44Å; Q154-N294 VanDerWaalsContact OE1-ND2 3.16Å; T155-N294 CarbonylContact O-C 3.53Å; T155-N294 WeakPolarHBondContact O-CA 3.47Å; N294-G310 PolarHBondContact N-O 3.26Å; N294-G310 PolarHBondContact O-N 2.86Å
295A82.4Confident77.9Confident0 Ų070.8 Ų70.80%033%0.331CS..EExtended strand (participates in β ladder)trans-136.8135.5171.300000111.8T155 I157 L307 T308 L309T155-A295 PolarHBondContact N-O 2.84Å; T155-A295 PolarHBondContact O-N 2.72Å; I157-A295 HydrophobicContact CD1-CB 3.8Å; I157-A295 HydrophobicContact CG1-CB 4.02Å; I157-A295 HydrophobicContact CG2-CB 4.04Å; A295-L307 HydrophobicContact CB-CB 4.4Å; A295-L307 HydrophobicContact CB-CD1 4.05Å; A295-L307 HydrophobicContact CB-CD2 4.39Å; A295-T308 WeakPolarHBondContact CA-O 3.34Å; A295-L309 HydrophobicContact CB-CD2 4.12Å
296T76.2Confident78.2Confident25 Ų2565.3 Ų65.315%0.15331%0.31CS..EExtended strand (participates in β ladder)trans-95.9139.3161-55.60000107.9Q154 E298 L307 T308Q154-T296 PolarHBondContact N-OG1 2.83Å; Q154-T296 VanDerWaalsContact N-OG1 3.13Å; T296-E298 WeakPolarHBondContact CB-OE1 3.31Å; T296-E298 WeakPolarHBondContact CG2-OE1 3.08Å; T296-L307 VanDerWaalsContact O-CA 3.32Å; T296-L307 WeakPolarHBondContact O-CA 3.38Å; T296-T308 PolarHBondContact N-O 2.77Å; T296-T308 PolarHBondContact O-N 2.96Å
297V75.1Confident78.4Confident27 Ų2765.2 Ų65.216%0.16431%0.309CS..EExtended strand (participates in β ladder)trans-94.6111.3176.1-177.10000108.4I149 F172 L305 L307I149-V297 HydrophobicContact CG2-CB 4.06Å; I149-V297 HydrophobicContact CG2-CG1 3.95Å; I149-V297 HydrophobicContact CG2-CG2 3.78Å; F172-V297 HydrophobicContact CE1-CG2 4.16Å; F172-V297 HydrophobicContact CZ-CG2 4.01Å; V297-L305 HydrophobicContact CG1-CB 4.46Å; V297-L305 HydrophobicContact CG1-CD2 3.97Å; V297-L307 HydrophobicContact CB-CD2 4.3Å; V297-L307 HydrophobicContact CG1-CD2 4.49Å; V297-L307 HydrophobicContact CG2-CD2 3.69Å
298E72.6Confident78.4Confident88 Ų8864.6 Ų64.641%0.41131%0.309SS..EExtended strand (participates in β ladder)trans-99-25-174.8-46.3-62.7172.700112.6H267 T296 G306 T308H267-E298 HydrophobicContact CB-CB 3.91Å; H267-E298 HydrophobicContact CB-CG 3.84Å; H267-E298 VanDerWaalsContact CD2-CB 3.49Å; H267-E298 WeakPolarHBondContact CD2-CB 3.11Å; T296-E298 WeakPolarHBondContact CB-OE1 3.31Å; T296-E298 WeakPolarHBondContact CG2-OE1 3.08Å; E298-G306 PolarHBondContact N-O 2.94Å; E298-T308 VanDerWaalsContact CD-OG1 3.26Å; E298-T308 WeakPolarHBondContact CG-OG1 3.04Å; E298-T308 WeakPolarHBondContact OE1-CB 3.4Å; E298-T308 PolarHBondContact OE1-OG1 3.09Å
299A71.9Confident78.4Confident28 Ų2859 Ų5923%0.23128%0.283CS..EExtended strand (participates in β ladder)trans-157.9166.9-171.400000113.1Y265 G306Y265-A299 WeakPolarHBondContact OH-CB 3.46Å; A299-G306 PolarHBondContact N-O 3.07Å; A299-G306 PolarHBondContact O-N 3.35Å
300Y72.1Confident78.1Confident160 Ų16057 Ų5763%0.62728%0.28SS*.EExtended strand (participates in β ladder)trans-137.7128.8169.1177.1-109.7000109.8K304 L305Y300-K304 WeakPolarHBondContact CA-O 3.3Å; Y300-K304 WeakPolarHBondContact CD2-O 3.5Å; Y300-L305 HydrophobicContact CD2-CD2 4Å
301Q57.9Low77.3Confident122 Ų12252.4 Ų52.457%0.5726%0.264SS*.EExtended strand (participates in β ladder)trans-147.6131.4-178.5-163.2-178.119.900110.5Y265 G303 K304Y265-Q301 HydrophobicContact CE1-CB 4.22Å; Q301-G303 PolarHBondContact O-N 3.1Å; Q301-G303 VanDerWaalsContact O-N 3.1Å; Q301-K304 PolarHBondContact N-O 3.11Å; Q301-K304 WeakPolarHBondContact O-CA 3.32Å; Q301-K304 WeakPolarHBondContact O-CB 3.47Å; Q301-K304 PolarHBondContact O-N 2.85Å
302T70.3Confident76.1Confident136 Ų13645.3 Ų45.383%0.83424%0.244SC*.THydrogen-bonded Turntrans48.542.2173.1-39.60000113.9K304T302-K304 VanDerWaalsContact C-N 3.31Å; T302-K304 PolarHBondContact O-N 3.16Å
303G73.4Confident75Confident25 Ų2547.8 Ų47.826%0.25825%0.253SS..THydrogen-bonded Turntrans79.44.6179.900000116R259 Q301R259-G303 PolarHBondContact NH2-O 2.9Å; Q301-G303 PolarHBondContact O-N 3.1Å; Q301-G303 VanDerWaalsContact O-N 3.1Å
304K78.6Confident73.4Confident56 Ų5653.4 Ų53.424%0.24328%0.282CS..EExtended strand (participates in β ladder)trans-110.7147.1177.7-55-175.5172.1178.60112.6W166 T167 T263 Y265 Y300 Q301 T302W166-K304 PolarHBondContact O-NZ 3.36Å; T167-K304 PolarHBondContact OG1-NZ 2.89Å; T263-K304 HydrophobicContact CG2-CD 4.16Å; T263-K304 HydrophobicContact CG2-CG 3.83Å; T263-K304 CarbonylContact O-C 3.47Å; T263-K304 WeakPolarHBondContact O-CA 3.38Å; Y265-K304 HydrophobicContact CD1-CB 3.9Å; Y265-K304 HydrophobicContact CD1-CD 4.4Å; Y265-K304 HydrophobicContact CE1-CB 4.34Å; Y300-K304 WeakPolarHBondContact CA-O 3.3Å; Y300-K304 WeakPolarHBondContact CD2-O 3.5Å; Q301-K304 PolarHBondContact N-O 3.11Å; Q301-K304 WeakPolarHBondContact O-CA 3.32Å; Q301-K304 WeakPolarHBondContact O-CB 3.47Å; Q301-K304 PolarHBondContact O-N 2.85Å; T302-K304 VanDerWaalsContact C-N 3.31Å; T302-K304 PolarHBondContact O-N 3.16Å
305L79.1Confident71.2Confident12 Ų1255.6 Ų55.66%0.06331%0.309CS..EExtended strand (participates in β ladder)trans-87.8132.9168.5-60.4171.7000110.9F172 F262 T263 C264 Y265 V297 Y300 L307F172-L305 HydrophobicContact CE2-CD1 3.78Å; F172-L305 HydrophobicContact CZ-CD1 3.8Å; F262-L305 HydrophobicContact CB-CD1 3.99Å; F262-L305 HydrophobicContact CD1-CD1 3.71Å; F262-L305 HydrophobicContact CD1-CG 4.48Å; F262-L305 HydrophobicContact CG-CD1 4.07Å; T263-L305 PolarHBondContact O-N 2.88Å; C264-L305 CarbonylContact C-O 3.28Å; C264-L305 WeakPolarHBondContact CA-O 3.34Å; Y265-L305 WeakPolarHBondContact CD1-O 3.34Å; Y265-L305 PolarHBondContact N-O 3.37Å; V297-L305 HydrophobicContact CG1-CB 4.46Å; V297-L305 HydrophobicContact CG1-CD2 3.97Å; Y300-L305 HydrophobicContact CD2-CD2 4Å; L305-L307 HydrophobicContact CB-CD2 3.97Å; L305-L307 HydrophobicContact CB-CG 4.5Å
306G80Confident69.2Low0 Ų067 Ų670%035%0.352CS..EExtended strand (participates in β ladder)trans-86.2120.5167.700000109.9Y265 E298 A299Y265-G306 VanDerWaalsContact CE1-N 3.29Å; Y265-G306 VanDerWaalsContact CZ-CA 3.49Å; Y265-G306 WeakPolarHBondContact O-CA 3.31Å; E298-G306 PolarHBondContact N-O 2.94Å; A299-G306 PolarHBondContact N-O 3.07Å; A299-G306 PolarHBondContact O-N 3.35Å
307L83.2Confident67.4Low0 Ų072.6 Ų72.60%038%0.381CS..EExtended strand (participates in β ladder)trans-117.7134.5-173.4-56.6-174.1000112.5F168 V170 C264 Y265 I266 H267 A295 T296 V297 L305 L309F168-L307 HydrophobicContact CE2-CD1 3.96Å; F168-L307 HydrophobicContact CZ-CD1 4.1Å; V170-L307 HydrophobicContact CG1-CD1 4.21Å; V170-L307 HydrophobicContact CG2-CD1 4.29Å; C264-L307 HydrophobicContact CB-CD1 3.9Å; C264-L307 HydrophobicContact CB-CG 4.21Å; C264-L307 VanDerWaalsContact SG-CD1 3.6Å; Y265-L307 PolarHBondContact O-N 2.85Å; I266-L307 CarbonylContact C-O 3.6Å; I266-L307 WeakPolarHBondContact CA-O 3.23Å; H267-L307 PolarHBondContact N-O 3.09Å; A295-L307 HydrophobicContact CB-CB 4.4Å; A295-L307 HydrophobicContact CB-CD1 4.05Å; A295-L307 HydrophobicContact CB-CD2 4.39Å; T296-L307 VanDerWaalsContact O-CA 3.32Å; T296-L307 WeakPolarHBondContact O-CA 3.38Å; V297-L307 HydrophobicContact CB-CD2 4.3Å; V297-L307 HydrophobicContact CG1-CD2 4.49Å; V297-L307 HydrophobicContact CG2-CD2 3.69Å; L305-L307 HydrophobicContact CB-CD2 3.97Å; L305-L307 HydrophobicContact CB-CG 4.5Å; L307-L309 HydrophobicContact CB-CD2 4.2Å; L307-L309 HydrophobicContact CD1-CD2 4.31Å
308T82.9Confident65.8Low59 Ų5976.9 Ų76.936%0.36240%0.403SS..EExtended strand (participates in β ladder)trans-87.1119.9156.3-59.80000108.3A295 T296 E298A295-T308 WeakPolarHBondContact CA-O 3.34Å; T296-T308 PolarHBondContact N-O 2.77Å; T296-T308 PolarHBondContact O-N 2.96Å; E298-T308 VanDerWaalsContact CD-OG1 3.26Å; E298-T308 WeakPolarHBondContact CG-OG1 3.04Å; E298-T308 WeakPolarHBondContact OE1-CB 3.4Å; E298-T308 PolarHBondContact OE1-OG1 3.09Å
309L84Confident64.2Low8 Ų875.1 Ų75.14%0.04240%0.401CS..EExtended strand (participates in β ladder)trans-87.7124.5177.8-60-178.3000110.8I157 F168 I266 W277 I286 A295 L307I157-L309 HydrophobicContact CD1-CD2 3.95Å; F168-L309 HydrophobicContact CZ-CD1 4.44Å; I266-L309 HydrophobicContact CD1-CD1 3.94Å; I266-L309 HydrophobicContact CG1-CD1 4.2Å; W277-L309 HydrophobicContact CZ2-CB 3.78Å; W277-L309 WeakPolarHBondContact CZ2-O 3.3Å; W277-L309 PolarHBondContact NE1-O 3.38Å; I286-L309 HydrophobicContact CD1-CD1 4.29Å; A295-L309 HydrophobicContact CB-CD2 4.12Å; L307-L309 HydrophobicContact CB-CD2 4.2Å; L307-L309 HydrophobicContact CD1-CD2 4.31Å
310G76.9Confident62.6Low18 Ų1877.5 Ų77.519%0.18642%0.416CS..EExtended strand (participates in β ladder)trans-108.2141.2175.900000111.9N294N294-G310 PolarHBondContact N-O 3.26Å; N294-G310 PolarHBondContact O-N 2.86Å
311H69.5Low61.1Low33 Ų3374.7 Ų74.715%0.15342%0.415CS..  trans-86.9130.5171.7-178.7-97.9000109.8Y289 K313 I314Y289-H311 AromaticContact CD1-NE2 3.78Å; Y289-H311 AromaticContact CD2-CD2 3.72Å; Y289-H311 AromaticContact CD2-NE2 3.8Å; Y289-H311 AromaticContact CE1-NE2 3.57Å; Y289-H311 AromaticContact CE2-CD2 3.89Å; Y289-H311 AromaticContact CE2-NE2 3.59Å; Y289-H311 AromaticContact CG-CD2 3.93Å; Y289-H311 AromaticContact CG-NE2 3.91Å; Y289-H311 AromaticContact CZ-NE2 3.47Å; H311-K313 PolarHBondContact ND1-N 3.27Å; H311-K313 PolarHBondContact O-N 2.99Å; H311-I314 HydrophobicContact CB-CD1 3.9Å; H311-I314 HydrophobicContact CB-CG1 4.01Å; H311-I314 PolarHBondContact O-N 3.03Å
312P60.1Low60.1Low46 Ų4675.9 Ų75.930%0.29942%0.424SS..THydrogen-bonded Turntrans-62.2-16.4-169.226.9-40.3000114.8E292E292-P312 HydrophobicContact CB-CG 3.81Å; E292-P312 WeakPolarHBondContact O-CB 3.38Å; E292-P312 WeakPolarHBondContact O-CD 3.41Å; E292-P312 WeakPolarHBondContact O-CG 3.32Å
313K58.6Low58.6Low139 Ų13977.2 Ų77.260%0.60442%0.419SS*.THydrogen-bonded Turntrans-112.317.2-173.7-56.3162.1-165.8162.10113E292 H311E292-K313 IonicContact OE1-NZ 3.86Å; E292-K313 VanDerWaalsContact OE2-CE 3.28Å; E292-K313 WeakPolarHBondContact OE2-CE 3.18Å; E292-K313 IonicContact OE2-NZ 2.69Å; E292-K313 PolarHBondContact OE2-NZ 2.78Å; H311-K313 PolarHBondContact ND1-N 3.27Å; H311-K313 PolarHBondContact O-N 2.99Å
314I52.5Low56.9Low119 Ų11984.7 Ų84.761%0.6144%0.444SS*.  trans-107.840.4171.3-42.6-179.4000110.4L276 H311L276-I314 HydrophobicContact CD1-CD1 4.07Å; H311-I314 HydrophobicContact CB-CD1 3.9Å; H311-I314 HydrophobicContact CB-CG1 4.01Å; H311-I314 PolarHBondContact O-N 3.03Å
315G38.7Very low54.7Low66 Ų6687.6 Ų87.668%0.6847%0.47SS*.  trans-86.1119.2160.400000109.5D317G315-D317 PolarHBondContact O-N 3.14Å; G315-D317 VanDerWaalsContact O-N 3.12Å
316R40.4Very low52.5Low239 Ų23990.9 Ų90.990%0.90249%0.494SS*.  trans-7099.2162.4-80.3-178.7173.5175.1-2.3108.1D318R316-D318 PolarHBondContact O-N 3.21Å
317D38.2Very low50.5Low144 Ų14496.4 Ų96.477%0.7754%0.54SS*.SBendtrans40.813.7163.8-133.9-10.5000121G315 S319G315-D317 PolarHBondContact O-N 3.14Å; G315-D317 VanDerWaalsContact O-N 3.12Å; D317-S319 PolarHBondContact O-N 3.35Å
318D40.7Very low48.2Very low116 Ų116104.6 Ų104.662%0.6258%0.578SS**  trans-71.842.1166.4-81.8-43000111.7R316 S320 V321R316-D318 PolarHBondContact O-N 3.21Å; D318-S320 PolarHBondContact O-N 3.23Å; D318-V321 HydrophobicContact CB-CG2 4.45Å; D318-V321 PolarHBondContact O-N 2.88Å; D318-V321 VanDerWaalsContact O-N 3.14Å
319S39.2Very low45.8Very low51 Ų51108 Ų10836%0.35759%0.591SS.*Hα-helixtrans-65.1-4.9174.372.90000112.8D317 K323D317-S319 PolarHBondContact O-N 3.35Å; S319-K323 WeakPolarHBondContact O-CB 3.35Å; S319-K323 VanDerWaalsContact O-CD 3.23Å; S319-K323 WeakPolarHBondContact O-CD 3.46Å; S319-K323 WeakPolarHBondContact O-CG 3.48Å
320S38.9Very low43.6Very low79 Ų79113.4 Ų113.455%0.55261%0.612SS**Hα-helixtrans-72.6-32.3170.857.50000114D318D318-S320 PolarHBondContact O-N 3.23Å
321V39.3Very low41.7Very low101 Ų101117.4 Ų117.461%0.61264%0.635SS**Hα-helixtrans-84.8-52.5-171.9-176.60000111.2D318D318-V321 HydrophobicContact CB-CG2 4.45Å; D318-V321 PolarHBondContact O-N 2.88Å; D318-V321 VanDerWaalsContact O-N 3.14Å
322L37.7Very low40.2Very low146 Ų146123.1 Ų123.176%0.76466%0.655SS**Hα-helixtrans-79.3-17.3-174.6-71.1170.4000114.3K324L322-K324 PolarHBondContact O-N 3.33Å
323K37.7Very low38.9Very low165 Ų165122.5 Ų122.572%0.71766%0.657SS**THydrogen-bonded Turntrans-74.3-2.7174-74.4-178.4-173.91600114.3S319S319-K323 WeakPolarHBondContact O-CB 3.35Å; S319-K323 VanDerWaalsContact O-CD 3.23Å; S319-K323 WeakPolarHBondContact O-CD 3.46Å; S319-K323 WeakPolarHBondContact O-CG 3.48Å
324K38.1Very low37.6Very low182 Ų182123.4 Ų123.479%0.79166%0.663SS**THydrogen-bonded Turntrans-94.6-3180-92.7-176.9174.4178.50116L322 S326L322-K324 PolarHBondContact O-N 3.33Å; K324-S326 PolarHBondContact O-N 2.61Å
325C33.2Very low36.8Very low117 Ų117122 Ų12279%0.79166%0.656SS**  trans-77.269.9162.9-71.60000110.4
326S32.9Very low37Very low81 Ų81121.4 Ų121.457%0.56664%0.637SS**  trans-63.7154.7174.761.40000111.4K324 Q328K324-S326 PolarHBondContact O-N 2.61Å; S326-Q328 PolarHBondContact O-N 3.08Å
327A38.5Very low37.1Very low116 Ų116114.6 Ų114.696%0.95961%0.612SS**SBendtrans-75.740.5-168.700000114.8
328Q34.1Very low37.7Very low171 Ų171113.3 Ų113.380%0.79960%0.596SS**  trans-124.922.2-164.6-143164.43.300114.2S326S326-Q328 PolarHBondContact O-N 3.08Å
329M32.5Very low38.5Very low130 Ų130111.4 Ų111.464%0.6458%0.584SS**  trans-132.2120.1177.7-77163.762.900110.3
330Y38.6Very low39.2Very low122 Ų122109.6 Ų109.648%0.47857%0.57SS.*  cis-151.6152-1.9-73.3-83.7000109.1R332Y330-R332 VanDerWaalsContact C-N 3.25Å; Y330-R332 PolarHBondContact O-N 3.14Å
331P37.1Very low40Very low102 Ų102107 Ų10766%0.66255%0.549SS*.THydrogen-bonded Turntrans-58.8-34.9167-23.333.9000113.3G333 Q334P331-G333 PolarHBondContact O-N 3.24Å; P331-Q334 PolarHBondContact O-N 3.39Å; P331-Q334 VanDerWaalsContact O-N 3.1Å
332R37.4Very low41.1Very low153 Ų153105.4 Ų105.458%0.57754%0.538SS*.Hα-helixtrans-55.3-19.4-176.1-73-178.2172.3166.6-3.2114.9Y330Y330-R332 VanDerWaalsContact C-N 3.25Å; Y330-R332 PolarHBondContact O-N 3.14Å
333G31.7Very low42.1Very low33 Ų33101 Ų10134%0.3451%0.512SS..Hα-helixtrans-71.7-32177.400000114.8P331P331-G333 PolarHBondContact O-N 3.24Å
334Q33.1Very low42.8Very low158 Ų15893.2 Ų93.274%0.73848%0.479SS*.Hα-helixtrans-75-32.5-179.3-68.5177.6-11.500111.9P331 Y337 R338P331-Q334 PolarHBondContact O-N 3.39Å; P331-Q334 VanDerWaalsContact O-N 3.1Å; Q334-Y337 PolarHBondContact O-N 3.09Å; Q334-R338 PolarHBondContact O-N 3.26Å
335I34Very low43.8Very low89 Ų8988.1 Ų88.146%0.45646%0.457SS..Hα-helixtrans-59.2-49.8178.3-55.4178.3000110.3Y337 R338 E339I335-Y337 VanDerWaalsContact C-N 3.27Å; I335-Y337 PolarHBondContact O-N 3.42Å; I335-R338 PolarHBondContact O-N 3.38Å; I335-E339 HydrophobicContact CG2-CG 4.4Å; I335-E339 WeakPolarHBondContact CG2-OE1 3.28Å; I335-E339 WeakPolarHBondContact O-CB 3.35Å; I335-E339 PolarHBondContact O-N 3.33Å
336L43.3Very low45.4Very low55 Ų5589.4 Ų89.429%0.28845%0.449SS..Hα-helixtrans-63.8-32.2-178.2-47.8-175.7000112.7L139 F340L139-L336 HydrophobicContact CD1-CB 4.15Å; L139-L336 HydrophobicContact CD1-CD2 3.94Å; L139-L336 HydrophobicContact CG-CB 4.27Å; L139-L336 HydrophobicContact CG-CD1 4.29Å; L139-L336 HydrophobicContact CG-CD2 3.99Å; L139-L336 HydrophobicContact CG-CG 4.38Å; L336-F340 WeakPolarHBondContact O-CB 3.21Å; L336-F340 PolarHBondContact O-N 2.82Å; L336-F340 VanDerWaalsContact O-N 3.12Å
337Y43.6Very low46.5Very low95 Ų9589.3 Ų89.337%0.37344%0.44SS..Hα-helixtrans-68.4-49.6174.4-178.5-120.3000111.2V181 Q334 I335 E339 F340 L341V181-Y337 HydrophobicContact CB-CD2 4.19Å; V181-Y337 HydrophobicContact CG1-CD2 4.07Å; V181-Y337 HydrophobicContact CG2-CD2 3.56Å; V181-Y337 HydrophobicContact CG2-CE2 4.19Å; V181-Y337 HydrophobicContact CG2-CG 4.49Å; Q334-Y337 PolarHBondContact O-N 3.09Å; I335-Y337 VanDerWaalsContact C-N 3.27Å; I335-Y337 PolarHBondContact O-N 3.42Å; Y337-E339 PolarHBondContact O-N 3.29Å; Y337-F340 PolarHBondContact O-N 2.85Å; Y337-L341 HydrophobicContact CD1-CD1 4.12Å; Y337-L341 HydrophobicContact CD2-CG 4.42Å; Y337-L341 HydrophobicContact CE1-CD1 3.61Å; Y337-L341 HydrophobicContact CE1-CG 4.47Å; Y337-L341 HydrophobicContact CE2-CD1 4.08Å; Y337-L341 HydrophobicContact CE2-CD2 4.36Å; Y337-L341 HydrophobicContact CE2-CG 4.16Å; Y337-L341 WeakPolarHBondContact O-CG 3.07Å; Y337-L341 PolarHBondContact O-N 3.41Å
338R51Low47.2Very low117 Ų11784.8 Ų84.844%0.44240%0.4SS..Hα-helixtrans-62.9-40.1178.2-164.4176.2-174.4-170.90.3111.7Q334 I335 N342Q334-R338 PolarHBondContact O-N 3.26Å; I335-R338 PolarHBondContact O-N 3.38Å; R338-N342 VanDerWaalsContact O-CB 3.27Å; R338-N342 WeakPolarHBondContact O-CB 3.33Å; R338-N342 PolarHBondContact O-N 2.94Å; R338-N342 PolarHBondContact O-ND2 2.98Å; R338-N342 PolarHBondContact O-OD1 3.46Å
339E57.4Low48.8Very low77 Ų7781.6 Ų81.636%0.3639%0.385SS..Hα-helixtrans-63.6-38.1174.5-79.5-174.5-149.600113.7I335 Y337 K343I335-E339 HydrophobicContact CG2-CG 4.4Å; I335-E339 WeakPolarHBondContact CG2-OE1 3.28Å; I335-E339 WeakPolarHBondContact O-CB 3.35Å; I335-E339 PolarHBondContact O-N 3.33Å; Y337-E339 PolarHBondContact O-N 3.29Å; E339-K343 WeakPolarHBondContact O-CD 3.48Å; E339-K343 VanDerWaalsContact O-CG 3.28Å; E339-K343 WeakPolarHBondContact O-CG 3.38Å; E339-K343 PolarHBondContact O-N 3.46Å
340F52.8Low50Low13 Ų1381.4 Ų81.46%0.05738%0.382CS..Hα-helixtrans-71.9-44.6177.7-172.3-111.5000111.3P135 V181 I182 S185 M253 F254 L336 Y337 K343 V344P135-F340 HydrophobicContact CG-CD2 4.35Å; P135-F340 HydrophobicContact CG-CE2 4.4Å; V181-F340 HydrophobicContact CG1-CB 4.25Å; V181-F340 HydrophobicContact CG1-CD1 3.3Å; V181-F340 HydrophobicContact CG1-CE1 3.84Å; V181-F340 HydrophobicContact CG1-CG 4.01Å; I182-F340 HydrophobicContact CD1-CE1 3.9Å; I182-F340 HydrophobicContact CD1-CZ 3.67Å; S185-F340 VanDerWaalsContact CB-CE1 3.48Å; S185-F340 VanDerWaalsContact OG-CD1 3.3Å; S185-F340 WeakPolarHBondContact OG-CD1 3.23Å; S185-F340 WeakPolarHBondContact OG-CE1 3.44Å; M253-F340 HydrophobicContact CE-CE2 4.06Å; M253-F340 HydrophobicContact CE-CZ 4.11Å; F254-F340 HydrophobicContact CD1-CZ 4.41Å; F254-F340 HydrophobicContact CE1-CE1 4.34Å; F254-F340 HydrophobicContact CE1-CZ 4.06Å; L336-F340 WeakPolarHBondContact O-CB 3.21Å; L336-F340 PolarHBondContact O-N 2.82Å; L336-F340 VanDerWaalsContact O-N 3.12Å; Y337-F340 PolarHBondContact O-N 2.85Å; F340-K343 WeakPolarHBondContact O-CB 3.35Å; F340-K343 PolarHBondContact O-N 2.91Å; F340-V344 HydrophobicContact CD1-CG2 4.16Å; F340-V344 HydrophobicContact CE1-CG2 4.02Å; F340-V344 HydrophobicContact CZ-CG2 4.29Å; F340-V344 VanDerWaalsContact O-CG2 3.32Å; F340-V344 WeakPolarHBondContact O-CG2 3.2Å; F340-V344 PolarHBondContact O-N 3.42Å
341L55.1Low50.5Low23 Ų2378.1 Ų78.112%0.1237%0.371CS..Hα-helixtrans-57.7-49.7172.9-70.8-175.7000111.5M188 Y337 K343 V344 E345M188-L341 HydrophobicContact CE-CD2 4.3Å; M188-L341 HydrophobicContact SD-CD2 3.71Å; Y337-L341 HydrophobicContact CD1-CD1 4.12Å; Y337-L341 HydrophobicContact CD2-CG 4.42Å; Y337-L341 HydrophobicContact CE1-CD1 3.61Å; Y337-L341 HydrophobicContact CE1-CG 4.47Å; Y337-L341 HydrophobicContact CE2-CD1 4.08Å; Y337-L341 HydrophobicContact CE2-CD2 4.36Å; Y337-L341 HydrophobicContact CE2-CG 4.16Å; Y337-L341 WeakPolarHBondContact O-CG 3.07Å; Y337-L341 PolarHBondContact O-N 3.41Å; L341-K343 PolarHBondContact O-N 2.99Å; L341-V344 WeakPolarHBondContact O-CB 3.3Å; L341-V344 PolarHBondContact O-N 2.93Å; L341-E345 WeakPolarHBondContact O-CB 3.25Å; L341-E345 VanDerWaalsContact O-CG 3.3Å; L341-E345 WeakPolarHBondContact O-CG 3.27Å; L341-E345 PolarHBondContact O-N 3.14Å
342N62.7Low51.4Low69 Ų6981.3 Ų81.337%0.36937%0.37SS..Hα-helixtrans-55.6-26175.7-70.5-2.3000113.3R338 K346R338-N342 VanDerWaalsContact O-CB 3.27Å; R338-N342 WeakPolarHBondContact O-CB 3.33Å; R338-N342 PolarHBondContact O-N 2.94Å; R338-N342 PolarHBondContact O-ND2 2.98Å; R338-N342 PolarHBondContact O-OD1 3.46Å; N342-K346 WeakPolarHBondContact O-CB 3.48Å; N342-K346 WeakPolarHBondContact O-CD 3.21Å; N342-K346 WeakPolarHBondContact O-CG 3.42Å; N342-K346 PolarHBondContact O-N 3.08Å
343K59.7Low52.9Low54 Ų5479.9 Ų79.924%0.23537%0.374CS..Hα-helixtrans-84.3-40.3176.3-72.8167.2-171.8178.40111.8Y133 L134 E339 F340 L341 Q347Y133-K343 WeakPolarHBondContact O-CD 3.3Å; Y133-K343 WeakPolarHBondContact O-CE 3.4Å; Y133-K343 PolarHBondContact O-NZ 3.32Å; L134-K343 PolarHBondContact O-NZ 3.14Å; E339-K343 WeakPolarHBondContact O-CD 3.48Å; E339-K343 VanDerWaalsContact O-CG 3.28Å; E339-K343 WeakPolarHBondContact O-CG 3.38Å; E339-K343 PolarHBondContact O-N 3.46Å; F340-K343 WeakPolarHBondContact O-CB 3.35Å; F340-K343 PolarHBondContact O-N 2.91Å; L341-K343 PolarHBondContact O-N 2.99Å; K343-Q347 WeakPolarHBondContact O-CB 3.07Å; K343-Q347 PolarHBondContact O-N 3.49Å
344V51.3Low53.9Low1 Ų181.6 Ų81.61%0.00638%0.375CS..Hα-helixtrans-59.7-49.4171.31770000110F189 M253 F340 L341 Q347 V348F189-V344 HydrophobicContact CB-CG1 4.33Å; M253-V344 HydrophobicContact CE-CB 4.32Å; M253-V344 HydrophobicContact CE-CG2 3.46Å; M253-V344 VanDerWaalsContact CE-CG2 3.46Å; F340-V344 HydrophobicContact CD1-CG2 4.16Å; F340-V344 HydrophobicContact CE1-CG2 4.02Å; F340-V344 HydrophobicContact CZ-CG2 4.29Å; F340-V344 VanDerWaalsContact O-CG2 3.32Å; F340-V344 WeakPolarHBondContact O-CG2 3.2Å; F340-V344 PolarHBondContact O-N 3.42Å; L341-V344 WeakPolarHBondContact O-CB 3.3Å; L341-V344 PolarHBondContact O-N 2.93Å; V344-Q347 PolarHBondContact O-N 3.04Å; V344-V348 WeakPolarHBondContact O-CB 3.18Å; V344-V348 WeakPolarHBondContact O-CG2 3.46Å; V344-V348 PolarHBondContact O-N 3.33Å
345E60.8Low54.4Low74 Ų7477 Ų7735%0.34637%0.37SS..Hα-helixtrans-58.7-52.9177.9-71.8164.3-178.300111M188 L341 Q347 V348 E349M188-E345 HydrophobicContact CE-CG 4.12Å; L341-E345 WeakPolarHBondContact O-CB 3.25Å; L341-E345 VanDerWaalsContact O-CG 3.3Å; L341-E345 WeakPolarHBondContact O-CG 3.27Å; L341-E345 PolarHBondContact O-N 3.14Å; E345-Q347 VanDerWaalsContact C-N 3.28Å; E345-Q347 PolarHBondContact O-N 3.28Å; E345-V348 CarbonylContact O-C 3.55Å; E345-V348 WeakPolarHBondContact O-CB 3.31Å; E345-V348 PolarHBondContact O-N 3.14Å; E345-V348 VanDerWaalsContact O-N 3.09Å; E345-E349 WeakPolarHBondContact O-CG 3.46Å; E345-E349 PolarHBondContact O-N 3.39Å
346K66.6Low54.8Low144 Ų14475.9 Ų75.963%0.62638%0.381SS*.Hα-helixtrans-61.2-32.7176.9-77.1177.6179.6-1730113.9N342 F350N342-K346 WeakPolarHBondContact O-CB 3.48Å; N342-K346 WeakPolarHBondContact O-CD 3.21Å; N342-K346 WeakPolarHBondContact O-CG 3.42Å; N342-K346 PolarHBondContact O-N 3.08Å; K346-F350 VanDerWaalsContact O-CB 3.25Å; K346-F350 WeakPolarHBondContact O-CB 3.5Å; K346-F350 PolarHBondContact O-N 3.45Å
347Q55.2Low54.5Low80 Ų8081.3 Ų81.337%0.37440%0.402SS..Hα-helixtrans-73.3-37.4175-173.6166.3-700111.6M253 K343 V344 E345 F350 M351M253-Q347 PolarHBondContact SD-OE1 3.2Å; M253-Q347 VanDerWaalsContact SD-OE1 3.35Å; K343-Q347 WeakPolarHBondContact O-CB 3.07Å; K343-Q347 PolarHBondContact O-N 3.49Å; V344-Q347 PolarHBondContact O-N 3.04Å; E345-Q347 VanDerWaalsContact C-N 3.28Å; E345-Q347 PolarHBondContact O-N 3.28Å; Q347-F350 PolarHBondContact O-N 3.35Å; Q347-M351 VanDerWaalsContact O-CG 3.3Å; Q347-M351 WeakPolarHBondContact O-CG 3.48Å; Q347-M351 PolarHBondContact O-N 3.08Å
348V52.8Low54.2Low20 Ų2084.1 Ų84.112%0.12142%0.422CS..Hα-helixtrans-65-44171.8165.60000111.2F189 A192 V344 E345 M351 R352F189-V348 HydrophobicContact CD2-CG2 4.17Å; A192-V348 HydrophobicContact CB-CG1 3.46Å; A192-V348 VanDerWaalsContact CB-CG1 3.46Å; A192-V348 HydrophobicContact CB-CG2 4.29Å; V344-V348 WeakPolarHBondContact O-CB 3.18Å; V344-V348 WeakPolarHBondContact O-CG2 3.46Å; V344-V348 PolarHBondContact O-N 3.33Å; E345-V348 CarbonylContact O-C 3.55Å; E345-V348 WeakPolarHBondContact O-CB 3.31Å; E345-V348 PolarHBondContact O-N 3.14Å; E345-V348 VanDerWaalsContact O-N 3.09Å; V348-M351 HydrophobicContact CG2-CE 4.27Å; V348-M351 PolarHBondContact O-N 3Å; V348-R352 WeakPolarHBondContact O-CB 3.41Å; V348-R352 PolarHBondContact O-N 3.32Å
349E67.3Low53.5Low104 Ų10486.6 Ų86.649%0.48644%0.438SS..Hα-helixtrans-59.8-46.6172.8-72.4178.6150.800111.5E345 M351 R352 N353E345-E349 WeakPolarHBondContact O-CG 3.46Å; E345-E349 PolarHBondContact O-N 3.39Å; E349-M351 PolarHBondContact O-N 3.03Å; E349-R352 PolarHBondContact O-N 3.44Å; E349-N353 VanDerWaalsContact O-CB 3.27Å; E349-N353 WeakPolarHBondContact O-CB 3.38Å; E349-N353 PolarHBondContact O-N 3.41Å; E349-N353 PolarHBondContact O-ND2 3.12Å; E349-N353 PolarHBondContact O-OD1 2.85Å
350F59.1Low52.5Low127 Ų12791.9 Ų91.956%0.55746%0.463SS*.Hα-helixtrans-60.1-44.6177-179.2-89.7000112.1K346 Q347 N354K346-F350 VanDerWaalsContact O-CB 3.25Å; K346-F350 WeakPolarHBondContact O-CB 3.5Å; K346-F350 PolarHBondContact O-N 3.45Å; Q347-F350 PolarHBondContact O-N 3.35Å; F350-N354 WeakPolarHBondContact CD2-ND2 3.5Å; F350-N354 WeakPolarHBondContact CE1-ND2 3.21Å; F350-N354 WeakPolarHBondContact CE2-ND2 3.12Å; F350-N354 WeakPolarHBondContact CZ-ND2 3.48Å; F350-N354 VanDerWaalsContact O-CB 3.31Å; F350-N354 WeakPolarHBondContact O-CB 3.37Å; F350-N354 PolarHBondContact O-N 3.08Å; F350-N354 PolarHBondContact O-ND2 2.92Å
351M47.7Very low51.4Low52 Ų5298.2 Ų98.226%0.25650%0.498SS..Hα-helixtrans-66.9-39.5176.1-70.2-173.4-51.600112.6F189 A193 Q347 V348 E349 G355 G356F189-M351 HydrophobicContact CD2-CE 4.17Å; F189-M351 HydrophobicContact CE2-CE 3.42Å; F189-M351 VanDerWaalsContact CE2-CE 3.42Å; F189-M351 HydrophobicContact CE2-SD 4.25Å; F189-M351 HydrophobicContact CZ-CE 3.72Å; F189-M351 HydrophobicContact CZ-SD 4.23Å; A193-M351 HydrophobicContact CB-CE 4.06Å; Q347-M351 VanDerWaalsContact O-CG 3.3Å; Q347-M351 WeakPolarHBondContact O-CG 3.48Å; Q347-M351 PolarHBondContact O-N 3.08Å; V348-M351 HydrophobicContact CG2-CE 4.27Å; V348-M351 PolarHBondContact O-N 3Å; E349-M351 PolarHBondContact O-N 3.03Å; M351-G355 PolarHBondContact O-N 3Å; M351-G356 PolarHBondContact O-N 2.88Å; M351-G356 VanDerWaalsContact O-N 3.08Å
352R57.2Low50.2Low170 Ų170104.5 Ų104.564%0.64253%0.531SS*.Hα-helixtrans-63.4-47.9176.5174.8-179.1-79.9-176-6.3111.2V348 E349 G355V348-R352 WeakPolarHBondContact O-CB 3.41Å; V348-R352 PolarHBondContact O-N 3.32Å; E349-R352 PolarHBondContact O-N 3.44Å; R352-G355 PolarHBondContact O-N 2.99Å
353N68.8Low49Very low123 Ų123106.4 Ų106.466%0.65855%0.545SS*.Hα-helixtrans-73.2-35.2-175.5-65.4-8.8000112.3E349 G355E349-N353 VanDerWaalsContact O-CB 3.27Å; E349-N353 WeakPolarHBondContact O-CB 3.38Å; E349-N353 PolarHBondContact O-N 3.41Å; E349-N353 PolarHBondContact O-ND2 3.12Å; E349-N353 PolarHBondContact O-OD1 2.85Å; N353-G355 VanDerWaalsContact C-N 3.3Å; N353-G355 PolarHBondContact O-N 3.46Å
354N52Low47.6Very low69 Ų69109.7 Ų109.737%0.36957%0.57SS.*THydrogen-bonded Turntrans-88.28.3177.7-63.7-30000113.5F350 G356 K357F350-N354 WeakPolarHBondContact CD2-ND2 3.5Å; F350-N354 WeakPolarHBondContact CE1-ND2 3.21Å; F350-N354 WeakPolarHBondContact CE2-ND2 3.12Å; F350-N354 WeakPolarHBondContact CZ-ND2 3.48Å; F350-N354 VanDerWaalsContact O-CB 3.31Å; F350-N354 WeakPolarHBondContact O-CB 3.37Å; F350-N354 PolarHBondContact O-N 3.08Å; F350-N354 PolarHBondContact O-ND2 2.92Å; N354-G356 PolarHBondContact O-N 2.93Å; N354-G356 VanDerWaalsContact O-N 3.14Å; N354-K357 PolarHBondContact O-N 2.83Å
355G43.7Very low46.7Very low62 Ų62116.3 Ų116.364%0.63961%0.605SS**THydrogen-bonded Turntrans57.131.4175.900000114.3M351 R352 N353 K357M351-G355 PolarHBondContact O-N 3Å; R352-G355 PolarHBondContact O-N 2.99Å; N353-G355 VanDerWaalsContact C-N 3.3Å; N353-G355 PolarHBondContact O-N 3.46Å; G355-K357 PolarHBondContact O-N 3.1Å; G355-K357 VanDerWaalsContact O-N 3.14Å
356G42.7Very low45.4Very low65 Ų65119.2 Ų119.267%0.6762%0.623SS**THydrogen-bonded Turntrans68.5-1.8-173.200000116M351 N354M351-G356 PolarHBondContact O-N 2.88Å; M351-G356 VanDerWaalsContact O-N 3.08Å; N354-G356 PolarHBondContact O-N 2.93Å; N354-G356 VanDerWaalsContact O-N 3.14Å
357K36.3Very low43.7Very low168 Ų168120.5 Ų120.573%0.7363%0.629SS**  trans-90.6107.5178.9-67.4-173.5178.2-175.20110.6N354 G355 Q359N354-K357 PolarHBondContact O-N 2.83Å; G355-K357 PolarHBondContact O-N 3.1Å; G355-K357 VanDerWaalsContact O-N 3.14Å; K357-Q359 PolarHBondContact O-N 3.45Å
358I39Very low42.5Very low154 Ų154123.2 Ų123.279%0.7965%0.645SS**  trans-73.3119.4164-58.9172.8000106.6
359Q36Very low41.5Very low169 Ų169129 Ų12979%0.7967%0.674SS**  trans-78.3139177.5-64.5-173.18.100110.2K357K357-Q359 PolarHBondContact O-N 3.45Å
360E35.5Very low39.7Very low188 Ų188132.7 Ų132.788%0.87969%0.691SS**  trans-100.25.2-163.8-155.3159.8-142.600113.5
361N30.1Very low38.3Very low147 Ų147131.8 Ų131.879%0.78670%0.701SS**  trans-103.181.4-169.9-66.5-13.7000112.6
362D30.2Very low37.5Very low154 Ų154137.2 Ų137.282%0.82473%0.725SS**  trans-158.8142.8152.6-127.9-24.7000113.6
363V36.7Very low36.3Very low109 Ų109134.7 Ų134.766%0.66173%0.729SS**  trans63.889.8174.3-164.10000117.6
364T30.3Very low34.5Very low124 Ų124135.7 Ų135.776%0.76174%0.739SS**  trans-103.7159.5151.750.20000111.2
365N33.1Very low33.5Very low139 Ų139138.1 Ų138.174%0.74376%0.759SS**  trans100.9111.8174.1-55.7-37.5000114.9
366D32.7Very low32.8Very low136 Ų136141.1 Ų141.173%0.72777%0.768SS**  cis124.5160.19.9178.545000110.3
367K32Very low32.4Very low170 Ų170147 Ų14774%0.73978%0.779SS**  trans90.3143.5174.1-56.3176.6-177.2173.10115.2
368L29.6Very low32.3Very low137 Ų137145.3 Ų145.372%0.71778%0.777SS**  cis-151.6164.711.5-157.571.6000111.4
369I31.5Very low32.2Very low143 Ų143144.7 Ų144.773%0.73377%0.774SS**  trans73.1107.9164.7-52.7-179.9000113.7
370Q29.4Very low32.1Very low181 Ų181141.8 Ų141.885%0.84677%0.77SS**  cis64.9135.243.2-58.6-176.7-20.400114.2
371S30.2Very low31.8Very low108 Ų108138.6 Ų138.676%0.75577%0.766SS**  cis-150.7-170.9-10.443.30000105.9
372E31.7Very low32.3Very low165 Ų165138.6 Ų138.677%0.77177%0.77SS**  cis-137.416414.8-74.3-172.488.300107.8
373T30.1Very low32.5Very low117 Ų117140.1 Ų140.172%0.71877%0.773SS**  cis73.9101.235.759.50000118.1
374V31.8Very low32.5Very low144 Ų144141.8 Ų141.887%0.87378%0.783SS**  trans-161.9148.9136.5132.60000109.3
375P30.9Very low32.9Very low120 Ų120141.9 Ų141.978%0.77979%0.789SS**  trans-111-177.9-156.841.2-33.3000116.5
376C30.1Very low33.3Very low125 Ų125141.2 Ų141.285%0.84579%0.79SS**  trans-94.1158-175.5-57.10000114.7
377E34.4Very low34.1Very low190 Ų190139.6 Ų139.689%0.88880%0.795SS**  trans-141.3165.5160.9-70-169.7143.500110.1
378N33.3Very low34.5Very low131 Ų131138.1 Ų138.170%0.70180%0.795SS**  -168.8160.4-53.1-140-21000109.5
379I35.8Very low35.2Very low142 Ų142139.2 Ų139.273%0.72880%0.801SS**  trans68.5147.8156-57.6154.6000117
380P34.5Very low35.7Very low108 Ų108135.1 Ų135.170%0.70179%0.794SS**  cis-129.2-174.6-42.438.5-18.6000112.9
381P30Very low36.5Very low121 Ų121133.4 Ų133.479%0.78680%0.796SS**  trans-91.9168.517036.6-35.6000114.4
382V39.7Very low37.4Very low146 Ų146139.3 Ų139.389%0.88582%0.817SS**  trans-128.8148.8168.4176.50000109.7
383E35.8Very low37.7Very low187 Ų187138.1 Ų138.187%0.87482%0.819SS**  trans-83.2157.8-165.3-55166.3134.900114.2
384T34.8Very low38.1Very low144 Ų144139.2 Ų139.288%0.88383%0.825SS**  trans-124.2123.4160.439.50000110.3
385S40.2Very low38.4Very low125 Ų125138.9 Ų138.987%0.87482%0.822SS**PPolyproline II helixtrans-94.9137.9174.8490000111.1
386V41.2Very low38.9Very low126 Ų126140 Ų14076%0.76483%0.825SS**PPolyproline II helixtrans-88.3134.6179.71740000110.1L388V386-L388 HydrophobicContact CG1-CD1 4.37Å; V386-L388 HydrophobicContact CG1-CG 4.18Å
387A49.1Very low39.4Very low101 Ų101140.9 Ų140.984%0.83582%0.823SS**PPolyproline II helixtrans-103.2133.6160.900000109.5
388L41.4Very low39.7Very low140 Ų140137.7 Ų137.773%0.73382%0.819SS**  trans-135.8153.5178.7-106173000110V386V386-L388 HydrophobicContact CG1-CD1 4.37Å; V386-L388 HydrophobicContact CG1-CG 4.18Å
389N43.4Very low40.2Very low159 Ų159138.1 Ų138.185%0.8583%0.828SS**  trans70.6145.6-179.2-41-45000114.2
390G40.9Very low40.5Very low57 Ų57137.8 Ų137.859%0.58884%0.835SS**  cis143.8143.8-4.100000111.7
391T46.5Very low41Very low145 Ų145140.3 Ų140.389%0.8985%0.846SS**  trans62.6143.9-169.715.50000113.8
392I49.3Very low42Very low233 Ų233142.1 Ų142.1100%1.19585%0.852SS**  cis-112.902.4-68.6172.8000109.6

Retrieved 392 of 392 residues in 116.5 ms (Link to these results)