A0A061IQ03_CRIGR Loading...

T-box 15

AlphaFold DB , UniProt , Accession A0A061IQ03, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Tbx15, Length 602 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
1M41.3Very low41.7Very low238 Ų238156.5 Ų156.5100%1.17280%0.799SS**  0132.10-62.5170.4179.400107.9
2S33.9Very low42.9Very low125 Ų125146.6 Ų146.687%0.87475%0.754SS**  trans-160.584172.9-72.40000110.4R4S2-R4 PolarHBondContact O-N 2.78Å
3E35.8Very low43.6Very low197 Ų197142.8 Ų142.892%0.92175%0.748SS**  trans-76.1109.3179.3-72.8-170.899.100112.3R5E3-R5 PolarHBondContact O-N 3.24Å
4R37.3Very low44.1Very low244 Ų244144.8 Ų144.892%0.92174%0.741SS**  trans-85.792.8173.4-145175.2-164.3176.35109.4S2 R6S2-R4 PolarHBondContact O-N 2.78Å; R4-R6 PolarHBondContact O-N 3.05Å; R4-R6 VanDerWaalsContact O-N 3.1Å
5R42.5Very low44.9Very low247 Ų247135.5 Ų135.593%0.93269%0.694SS**  trans-44.3115.8177.3-74.7-176.8173.9-178-2.1111E3 S7E3-R5 PolarHBondContact O-N 3.24Å; R5-S7 PolarHBondContact O-N 3Å
6R40.2Very low45.8Very low246 Ų246131.3 Ų131.393%0.92867%0.671SS**  trans-75.9115.6170.7-71.3-177.3176.2176.3-0.7108.6R4R4-R6 PolarHBondContact O-N 3.05Å; R4-R6 VanDerWaalsContact O-N 3.1Å
7S36.2Very low46.1Very low112 Ų112126.8 Ų126.878%0.78366%0.658SS**  trans-63.7147.8174.6-167.70000110.9R5 V9R5-S7 PolarHBondContact O-N 3Å; S7-V9 PolarHBondContact O-N 3.02Å
8A41.4Very low46.7Very low92 Ų92127.2 Ų127.276%0.7665%0.654SS**  trans-67.1125.2174.300000110A10A8-A10 PolarHBondContact O-N 3.4Å; A8-A10 VanDerWaalsContact O-N 3.09Å
9V47.5Very low47Very low108 Ų108120.8 Ų120.866%0.65562%0.622SS**  trans-72.2106.5177.6-177.60000109.1S7 R290S7-V9 PolarHBondContact O-N 3.02Å; V9-R290 PolarHBondContact O-NH2 3.13Å
10A53.7Low47.3Very low84 Ų84116.8 Ų116.869%0.69460%0.603SS**PPolyproline II helixtrans-60.6144.7172.500000110.6A8A8-A10 PolarHBondContact O-N 3.4Å; A8-A10 VanDerWaalsContact O-N 3.09Å
11L48.5Very low47.8Very low29 Ų29118.1 Ų118.115%0.15261%0.606CS.*PPolyproline II helixtrans-71144.7178.7-68.7170.7000110.8S13 Q286 R290L11-S13 PolarHBondContact O-N 2.97Å; L11-Q286 HydrophobicContact CD1-CB 4.37Å; L11-Q286 HydrophobicContact CD1-CG 4.37Å; L11-R290 HydrophobicContact CD2-CG 3.62Å
12S56.9Low48.7Very low37 Ų37109.4 Ų109.426%0.25957%0.572SS.*PPolyproline II helixtrans-46.9137166.1-174.10000111.4R14 A15 H16 D304S12-R14 PolarHBondContact O-N 3.2Å; S12-A15 WeakPolarHBondContact O-CA 3.46Å; S12-A15 WeakPolarHBondContact O-CB 3.42Å; S12-A15 PolarHBondContact O-N 3.17Å; S12-H16 PolarHBondContact O-N 2.85Å; S12-D304 WeakPolarHBondContact CB-OD1 3.46Å
13S50.9Low49.4Very low97 Ų97109.1 Ų109.168%0.67856%0.56SS**Hα-helixtrans-57.1-27.2178.556.10000112.9L11L11-S13 PolarHBondContact O-N 2.97Å
14R51.1Low50.6Low171 Ų171105.4 Ų105.465%0.64555%0.545SS*.Hα-helixtrans-74.8-25.8175-153.2-174.7-172.7162.95113.4S12 F302S12-R14 PolarHBondContact O-N 3.2Å; R14-F302 HydrophobicContact CB-CD1 4.32Å; R14-F302 HydrophobicContact CB-CE1 4.42Å; R14-F302 HydrophobicContact CG-CD1 4.21Å; R14-F302 HydrophobicContact CG-CE1 3.85Å; R14-F302 WeakPolarHBondContact O-CE1 3.5Å
15A56.6Low50.9Low5 Ų595.6 Ų95.64%0.04152%0.52CS..Hα-helixtrans-80.2-35.4172.400000111.4S12 A17 F18 I293S12-A15 WeakPolarHBondContact O-CA 3.46Å; S12-A15 WeakPolarHBondContact O-CB 3.42Å; S12-A15 PolarHBondContact O-N 3.17Å; A15-A17 PolarHBondContact O-N 3.27Å; A15-F18 PolarHBondContact O-N 3.43Å; A15-I293 HydrophobicContact CB-CD1 3.84Å
16H58.5Low50.8Low69 Ų6989.3 Ų89.332%0.31951%0.514SS..Hα-helixtrans-57.1-30174.2-113.4-79.5000113.3S12 F18 S19 E21 A22S12-H16 PolarHBondContact O-N 2.85Å; H16-F18 PolarHBondContact O-N 3.31Å; H16-S19 PolarHBondContact O-N 2.88Å; H16-S19 PolarHBondContact O-OG 2.85Å; H16-E21 IonicContact CE1-OE2 3.59Å; H16-E21 PolarHBondContact CE1-OE2 3.3Å; H16-E21 IonicContact ND1-OE2 3.41Å; H16-A22 WeakPolarHBondContact O-CB 3.1Å
17A51.7Low50.8Low54 Ų5484.7 Ų84.745%0.44651%0.508SS..THydrogen-bonded Turntrans-59.5-12.2179.500000115.4A15A15-A17 PolarHBondContact O-N 3.27Å
18F56.1Low50.9Low134 Ų13488.4 Ų88.459%0.58851%0.51SS*.THydrogen-bonded Turntrans-111.55.4174.2-61-77.7000113.6A15 H16 F302A15-F18 PolarHBondContact O-N 3.43Å; H16-F18 PolarHBondContact O-N 3.31Å; F18-F302 HydrophobicContact CD2-CE1 4.47Å; F18-F302 AromaticContact CE2-CE1 3.93Å; F18-F302 HydrophobicContact CE2-CE1 3.93Å; F18-F302 HydrophobicContact CE2-CZ 4.02Å
19S52Low50.9Low6 Ų694 Ų944%0.04252%0.517CS..SBendtrans-80.8151.1171.984.20000110.8H16 E21 A22 L23H16-S19 PolarHBondContact O-N 2.88Å; H16-S19 PolarHBondContact O-OG 2.85Å; S19-E21 PolarHBondContact O-N 2.95Å; S19-A22 PolarHBondContact O-N 2.88Å; S19-A22 VanDerWaalsContact O-N 3.09Å; S19-L23 PolarHBondContact O-N 3.35Å
20V53.8Low50.2Low40 Ų40100.2 Ų100.224%0.24253%0.528CS..Hα-helixtrans-57.4-32177.4172.80000111.8L23 I24 Y177V20-L23 PolarHBondContact O-N 3.32Å; V20-I24 HydrophobicContact CG1-CD1 3.49Å; V20-I24 VanDerWaalsContact CG1-CD1 3.49Å; V20-I24 HydrophobicContact CG1-CG1 4.09Å; V20-I24 WeakPolarHBondContact O-CB 3.41Å; V20-I24 WeakPolarHBondContact O-CG1 3.31Å; V20-I24 PolarHBondContact O-N 3.19Å; V20-Y177 WeakPolarHBondContact CG2-OH 3.35Å
21E58.4Low49Very low146 Ų146106 Ų10668%0.68254%0.538SS*.Hα-helixtrans-64.2-37.9176.8-172.4176.3-147.600113.1H16 S19H16-E21 IonicContact CE1-OE2 3.59Å; H16-E21 PolarHBondContact CE1-OE2 3.3Å; H16-E21 IonicContact ND1-OE2 3.41Å; S19-E21 PolarHBondContact O-N 2.95Å
22A58.8Low48Very low54 Ų54112.7 Ų112.745%0.44657%0.573SS.*Hα-helixtrans-77-28.3175.400000113H16 S19H16-A22 WeakPolarHBondContact O-CB 3.1Å; S19-A22 PolarHBondContact O-N 2.88Å; S19-A22 VanDerWaalsContact O-N 3.09Å
23L48.7Very low46.7Very low120 Ų120121.1 Ų121.163%0.62860%0.599SS**Hα-helixtrans-80.3-31.2179.8-75.6164.5000113.7S19 V20S19-L23 PolarHBondContact O-N 3.35Å; V20-L23 PolarHBondContact O-N 3.32Å
24I62.8Low45.6Very low119 Ų119122.7 Ų122.761%0.6160%0.6SS**Hα-helixtrans-76.5-32178.6-72.5176.5000112V20V20-I24 HydrophobicContact CG1-CD1 3.49Å; V20-I24 VanDerWaalsContact CG1-CD1 3.49Å; V20-I24 HydrophobicContact CG1-CG1 4.09Å; V20-I24 WeakPolarHBondContact O-CB 3.41Å; V20-I24 WeakPolarHBondContact O-CG1 3.31Å; V20-I24 PolarHBondContact O-N 3.19Å
25G41.8Very low44.4Very low38 Ų38126.8 Ų126.839%0.39262%0.616SS.*  trans75.6147.1-176.300000113.4N27G25-N27 PolarHBondContact O-N 3.07Å
26S42.1Very low43Very low114 Ų114135 Ų13580%0.79765%0.653SS**  trans-76.889.3-177.451.50000111.7K28S26-K28 VanDerWaalsContact C-N 3.34Å; S26-K28 PolarHBondContact O-N 3.21Å
27N38.6Very low41.7Very low149 Ų149139.3 Ų139.380%0.79767%0.674SS**  trans-60.890.6172.8-95.2-44.7000111.3G25 K29G25-N27 PolarHBondContact O-N 3.07Å; N27-K29 PolarHBondContact O-N 3.23Å; N27-K29 VanDerWaalsContact O-N 3.11Å
28K38.5Very low40.5Very low191 Ų191145.3 Ų145.383%0.8369%0.69SS**  trans-60.8112171.9-78.9-176.2174.4178.90109.3S26 R30S26-K28 VanDerWaalsContact C-N 3.34Å; S26-K28 PolarHBondContact O-N 3.21Å; K28-R30 PolarHBondContact O-N 2.99Å; K28-R30 VanDerWaalsContact O-N 3.09Å
29K42.6Very low39.1Very low210 Ų210142.5 Ų142.591%0.91370%0.698SS**  trans-45.9116.4170.7-74-175.6174.3-176.90110.2N27N27-K29 PolarHBondContact O-N 3.23Å; N27-K29 VanDerWaalsContact O-N 3.11Å
30R31.2Very low38Very low237 Ų237151 Ų15189%0.89474%0.742SS**PPolyproline II helixtrans-94.2142.5157.3-107.7179.8-77.2177.3-2.5108.1K28K28-R30 PolarHBondContact O-N 2.99Å; K28-R30 VanDerWaalsContact O-N 3.09Å
31K30.1Very low36.7Very low206 Ų206155.1 Ų155.190%0.89676%0.763SS**PPolyproline II helixtrans-62.4135.3-179.2-84.5-175.4170.5-176.30110.4
32L27.1Very low35.3Very low170 Ų170156.7 Ų156.789%0.8978%0.775SS**PPolyproline II helixtrans-64.5146.9156.6-167.574.5000108.7
33R28.9Very low33.8Very low213 Ų213159 Ų15980%0.80479%0.788SS**  trans-147.2129158.5-131.6-157.3-75.7-115.611109.7
34D28.4Very low33Very low130 Ų130162 Ų16270%0.69580%0.801SS**  trans13.7121.9159.8-32.1-36000119
35W25.6Very low31.3Very low258 Ų258165.5 Ų165.598%0.97782%0.815SS**  trans-156.594.3140.6-95.196.1000108.3
36E27.6Very low30.6Very low177 Ų177167.5 Ų167.583%0.82783%0.827SS**  trans-75.7162.2145.6-73.7177.2108.200107.3
37E30.9Very low29.8Very low160 Ų160170.4 Ų170.475%0.74883%0.833SS**  cis-156.2-17934.9-161.1-144.8136.900109.9
38K26.9Very low29.3Very low180 Ų180168.8 Ų168.878%0.78383%0.834SS**  trans69.199.4176.2-52.2176.9-1761790114.4
39G26.7Very low29.6Very low75 Ų75165.6 Ų165.677%0.77383%0.832SS**  cis97.5117.67.900000112.6
40L29.5Very low28.9Very low184 Ų184160.5 Ų160.596%0.96383%0.829SS**  trans-150.6142.5158.7-103.8176.8000107.5
41D25.3Very low28.6Very low127 Ų127152.6 Ų152.668%0.67982%0.822SS**  trans-104.9141.3-168.8174.336.1000111.9
42L28.5Very low29.4Very low178 Ų178148.5 Ų148.593%0.93282%0.816SS**  trans-152.2116.3152.5-85.4-171.2000108.8
43S28.3Very low29.6Very low104 Ų104148.7 Ų148.773%0.72782%0.817SS**  trans-96.5167.3-174.337.50000113.2
44M30.8Very low29.6Very low181 Ų181141.6 Ų141.689%0.89281%0.81SS**  trans-143.1102.3-178.3179.2-176.167.300111.5
45E27.5Very low29.6Very low194 Ų194143 Ų14391%0.90782%0.818SS**  trans-154175.2170-82.9-175.9105.700109.2
46A28Very low29.9Very low79 Ų79135.9 Ų135.965%0.65380%0.803SS**  -161.3161.2-64.900000110.2
47L25.5Very low30.1Very low175 Ų175135 Ų13592%0.91680%0.804SS**  trans73.4159.8163.1-54.2176.9000120.2
48S28.2Very low30Very low115 Ų115134.5 Ų134.580%0.80481%0.807SS**  trans-102.4-163.6-179.5-31.10000110.4
49P44.2Very low31.2Very low124 Ų124131.5 Ų131.581%0.80581%0.805SS**  cis-148-15924.845-22000117.2
50A27.9Very low31.3Very low103 Ų103132.5 Ų132.585%0.85181%0.806SS**  trans103.1144.6157.600000120.3
51G24.5Very low31.5Very low72 Ų72129.2 Ų129.274%0.74279%0.794SS**  trans-108.4-139.717800000112.8
52P46.5Very low31.8Very low119 Ų119131.7 Ų131.777%0.77380%0.801SS**  cis-145-161.618.637.3-12.5000116.8
53L31.7Very low31.7Very low174 Ų174126.5 Ų126.591%0.91179%0.791SS**  trans81.7139.4166-57.4168000118.9
54G28.2Very low31.8Very low64 Ų64130.1 Ų130.166%0.6680%0.801SS**  cis174.7162.9-8.200000114.4
55D30.2Very low31.6Very low160 Ų160129.8 Ų129.886%0.85680%0.797SS**  trans57.5153.3165.3-70.3-0.7000120.5
56T31Very low32.1Very low109 Ų109125.9 Ų125.967%0.66979%0.789SS**  cis-152.4167.23-3.40000113.6
57D31.7Very low32.3Very low157 Ų157130 Ų13084%0.8480%0.795SS**  trans78.5140.7149.4-63.5-36.6000124
58D29.9Very low33.5Very low151 Ų151126 Ų12681%0.80778%0.779SS**  trans-122.2-162.5180-132.1-21.8000107.1
59P50.7Low33.4Very low116 Ų116127.5 Ų127.575%0.75378%0.778SS**  cis-131.8155.2-0.640.1-22.7000117.3
60A30Very low32.8Very low96 Ų96126.8 Ų126.879%0.79378%0.776SS**  trans-161.7107.8147.600000114.8
61T33.3Very low33Very low116 Ų116129.8 Ų129.871%0.71277%0.772SS**  trans-60.2159168.545.80000115
62H31Very low33.2Very low179 Ų179134.6 Ų134.683%0.82978%0.775SS**  cis-151.5150.7-2.9-90.1-56.8000106.8
63G26.9Very low32.6Very low69 Ų69133.2 Ų133.271%0.71177%0.769SS**  78.9134.180.500000113.7
64L30.2Very low32.4Very low180 Ų180131.4 Ų131.494%0.94277%0.765SS**  cis-157175.25.2-79.9171.2000111.8
65E27.1Very low32.5Very low173 Ų173131.9 Ų131.981%0.80877%0.769SS**  trans-73.4-178.6168.1-114.2-161.997.500113.6
66P38.6Very low32.7Very low113 Ų113129.4 Ų129.473%0.73477%0.765SS**  cis-143.8-161.619.841.8-18.4000117.7
67H30.4Very low32.8Very low166 Ų166130.7 Ų130.777%0.76977%0.768SS**  trans-54.7175.8162.9-112-91.4000115.1
68P51Low33Very low90 Ų90127.9 Ų127.958%0.58476%0.76SS**  cis-137.7-172.5-744.9-27.3000116.6
69D26.4Very low33.2Very low147 Ų147129.1 Ų129.179%0.78676%0.761SS**  trans64.9153147.6-63.6-21000125.9
70S32.7Very low32.3Very low108 Ų108128.4 Ų128.476%0.75576%0.755SS**  trans83.6114.7152.9-65.40000124.9
71E30.7Very low32.5Very low166 Ų166130.6 Ų130.678%0.77675%0.752SS**  56.4125127.8-57.4-153.7102.400125.6
72Q29Very low32.4Very low173 Ų173130.6 Ų130.681%0.80875%0.752SS**  65.8131.3124.4-168.4175.2109.100122.3
73S33Very low32.5Very low91 Ų91128.8 Ų128.864%0.63674%0.744SS**  167.3141120.2-172.50000115.2
74T29.3Very low33Very low136 Ų136135.3 Ų135.383%0.83475%0.747SS**  trans50.4140.2151.246.30000121.3
75G29.7Very low33.1Very low73 Ų73132.7 Ų132.775%0.75374%0.738SS**  cis163.3175.24.700000108.6
76S34.6Very low33.4Very low108 Ų108128.8 Ų128.876%0.75573%0.731SS**  cis-144.3-137.8-5.441.20000107.8
77D32Very low33Very low137 Ų137128.5 Ų128.573%0.73373%0.73SS**  cis-160.7-158.91.1-143.6-70.2000111.5
78S35.7Very low33.3Very low98 Ų98126 Ų12669%0.68573%0.731SS**  trans-82.3167.4-177.5-40.30000112.9
79E34.4Very low32.3Very low176 Ų176131.3 Ų131.382%0.82275%0.745SS**  cis-154175.419.7-92.1-153.7109.900109.6
80V33.2Very low32.7Very low102 Ų102128.1 Ų128.162%0.61874%0.735SS**  cis-175.4163.9-30.6780000109.1
81L32.7Very low32.8Very low141 Ų141130 Ų13074%0.73874%0.742SS**  trans53.4114.8168.2-61.7171.9000118.4
82T32.4Very low33.4Very low116 Ų116130.1 Ų130.171%0.71274%0.742SS**  61.9144.273.870.80000115.5
83E32.3Very low33.9Very low141 Ų141128.2 Ų128.266%0.65974%0.742SS**  cis-158.1140.337.3-117.1-169.497.100114.5
84R38Very low34.3Very low207 Ų207129.9 Ų129.978%0.78174%0.744SS**  66.1153.2123.3-146.5170.7-178.5177.82.6124.6
85T32.1Very low35Very low124 Ų124130.8 Ų130.876%0.76174%0.743SS**  trans78.7156.3153-3.70000119.2
86S34.2Very low35.3Very low92 Ų92132.6 Ų132.664%0.64375%0.751SS**  -159152-64.864.70000113.3
87C28.3Very low35.6Very low107 Ų107133.9 Ų133.972%0.72376%0.76SS**  trans49.6136.8150.5720000124.5
88S37.2Very low35.8Very low113 Ų113131 Ų13179%0.7976%0.763SS**  trans62.7121.1141.3-56.30000122.3
89F30.6Very low35.8Very low201 Ų201130.1 Ų130.188%0.88277%0.769SS**  -174.9173.593.2-166.1-108000112.1
90S34.8Very low36.2Very low81 Ų81127.1 Ų127.157%0.56677%0.774SS**  trans-90.5162-171.8-43.30000115.3
91T35.4Very low36.5Very low148 Ų148124.8 Ų124.891%0.90877%0.771SS**  trans-130154.9152.740.20000110.5
92H42.3Very low37.3Very low167 Ų167124 Ų12477%0.77377%0.774SS**  trans-147.5133.8-164.1-146.6-83000109.6
93T40.7Very low38Very low133 Ų133124.8 Ų124.882%0.81678%0.778SS**  trans155.2147.1157.644.70000110.9
94D40.2Very low38.8Very low126 Ų126123.3 Ų123.367%0.67478%0.781SS**  cis-162.1162.7-37.4-144.2-22.6000110.4
95L43.9Very low39.1Very low156 Ų156117.8 Ų117.882%0.81778%0.78SS**  trans32.4108.8157.6-77.8157.3000121.3
96A36.6Very low39.8Very low111 Ų111116.5 Ų116.592%0.91778%0.782SS**  trans-145.8153.5141.300000110.3
97S39.8Very low40.5Very low134 Ų134119.3 Ų119.394%0.93779%0.787SS**  trans-117.1147.1-166.6-178.70000113.9
98G36.1Very low41.7Very low78 Ų78116.1 Ų116.180%0.80477%0.766SS**  trans133.9129.9155.800000115.4
99G36.3Very low43.1Very low78 Ų78114.9 Ų114.980%0.80475%0.753SS**  trans112.560.9163.900000116.7G101G99-G101 PolarHBondContact O-N 2.64Å
100A43.2Very low45.3Very low113 Ų113106.4 Ų106.493%0.93472%0.717SS**  trans-7275.1161.200000110.2
101G40.2Very low47.1Very low53 Ų53110.3 Ų110.355%0.54673%0.726SS.*PPolyproline II helixtrans-63.2147.8167.600000110.3G99 V103G99-G101 PolarHBondContact O-N 2.64Å; G101-V103 PolarHBondContact O-N 3.16Å
102P49.6Very low49.7Very low125 Ų125109.8 Ų109.881%0.81271%0.713SS**PPolyproline II helixtrans-61.4126.5175.726.6-33.3000109
103V47.3Very low52.2Low132 Ų132102 Ų10280%0.868%0.677SS**PPolyproline II helixtrans-54.1124.4169.3-175.80000106.8G101 A105G101-V103 PolarHBondContact O-N 3.16Å; V103-A105 PolarHBondContact O-N 3.31Å; V103-A105 VanDerWaalsContact O-N 3.07Å
104P48.3Very low54.9Low111 Ų111101.7 Ų101.772%0.72167%0.667SS**PPolyproline II helixtrans-58.5122.1177.424.2-32.6000107.6A106P104-A106 PolarHBondContact O-N 3.43Å; P104-A106 VanDerWaalsContact O-N 3.07Å
105A44.8Very low57.6Low91 Ų9196.5 Ų96.575%0.75264%0.639SS**PPolyproline II helixtrans-51.7121.8179.500000108V103 M107V103-A105 PolarHBondContact O-N 3.31Å; V103-A105 VanDerWaalsContact O-N 3.07Å; A105-M107 PolarHBondContact O-N 3.34Å
106A46.3Very low60.2Low97 Ų9793.9 Ų93.980%0.80262%0.623SS**  trans-53.4111.5-169.300000109P104 S108P104-A106 PolarHBondContact O-N 3.43Å; P104-A106 VanDerWaalsContact O-N 3.07Å; A106-S108 PolarHBondContact O-N 2.72Å
107M48.2Very low63.1Low151 Ų15189.1 Ų89.174%0.74458%0.582SS**  trans-63.4105.5-178.9-70.1-177.970.500106.9A105 T109A105-M107 PolarHBondContact O-N 3.34Å; M107-T109 PolarHBondContact O-N 2.77Å
108S54.2Low65.9Low40 Ų4084.9 Ų84.928%0.2855%0.548SS..  trans-49102-17338.20000110A106 M110 D154A106-S108 PolarHBondContact O-N 2.72Å; S108-M110 PolarHBondContact O-N 2.83Å; S108-D154 WeakPolarHBondContact CB-OD2 3.47Å; S108-D154 WeakPolarHBondContact OG-CB 3.27Å; S108-D154 PolarHBondContact OG-OD2 3.46Å
109T65.9Low68.7Low87 Ų8785.4 Ų85.453%0.53454%0.538SS..  trans-67.5132.3-174.255.50000107.6M107 E111 E112M107-T109 PolarHBondContact O-N 2.77Å; T109-E111 PolarHBondContact O-N 2.97Å; T109-E112 PolarHBondContact O-N 3.42Å
110M77.9Confident71.6Confident23 Ų2382.7 Ų82.711%0.11351%0.508CS..G310 helixtrans-53.8-26.8179.6-91.9-103.7170.200111.7S108 E112 I113 Y159 R248 D265 G266 K268S108-M110 PolarHBondContact O-N 2.83Å; M110-E112 VanDerWaalsContact C-N 3.29Å; M110-E112 PolarHBondContact O-N 2.79Å; M110-I113 HydrophobicContact CB-CD1 4.37Å; M110-I113 HydrophobicContact CE-CD1 4.02Å; M110-I113 HydrophobicContact CG-CD1 4.09Å; M110-I113 WeakPolarHBondContact O-CB 3.45Å; M110-I113 WeakPolarHBondContact O-CG1 3.41Å; M110-I113 PolarHBondContact O-N 2.82Å; M110-I113 HydrophobicContact SD-CD1 3.44Å; M110-I113 WeakPolarHBondContact SD-CD1 3.44Å; M110-Y159 HydrophobicContact CE-CD1 4.37Å; M110-Y159 HydrophobicContact CE-CE1 3.92Å; M110-R248 HydrophobicContact CE-CB 3.84Å; M110-R248 HydrophobicContact CE-CG 3.56Å; M110-D265 WeakPolarHBondContact CG-O 3.29Å; M110-G266 WeakPolarHBondContact CE-O 3.44Å; M110-K268 HydrophobicContact CB-CD 4.41Å; M110-K268 WeakPolarHBondContact O-CD 3.26Å; M110-K268 WeakPolarHBondContact O-CE 3.36Å; M110-K268 PolarHBondContact O-NZ 2.84Å; M110-K268 HydrophobicContact SD-CB 3.97Å; M110-K268 HydrophobicContact SD-CD 4.45Å; M110-K268 HydrophobicContact SD-CG 4.26Å
111E72.8Confident74.2Confident162 Ų16282.5 Ų82.576%0.75749%0.491SS*.G310 helixtrans-45.3-39.3177.2-59.5-174.6134.100115.2T109 I113 K268T109-E111 PolarHBondContact O-N 2.97Å; E111-I113 VanDerWaalsContact C-N 3.32Å; E111-I113 PolarHBondContact O-N 3.34Å; E111-K268 PolarHBondContact O-NZ 3.18Å
112E89Confident76.9Confident137 Ų13781.8 Ų81.864%0.6447%0.474SS*.G310 helixtrans-70.7-25-178.9-169.6173.7-179.100113.5T109 M110 Q114T109-E112 PolarHBondContact O-N 3.42Å; M110-E112 VanDerWaalsContact C-N 3.29Å; M110-E112 PolarHBondContact O-N 2.79Å; E112-Q114 PolarHBondContact O-N 2.97Å
113I95.2Very high79.2Confident4 Ų475.9 Ų75.92%0.02144%0.436CS..  trans-60.9123.9-173.5-55166.8000111.6M110 E111 I150 T151 G152 L153 Y159 V246 K268 F270M110-I113 HydrophobicContact CB-CD1 4.37Å; M110-I113 HydrophobicContact CE-CD1 4.02Å; M110-I113 HydrophobicContact CG-CD1 4.09Å; M110-I113 WeakPolarHBondContact O-CB 3.45Å; M110-I113 WeakPolarHBondContact O-CG1 3.41Å; M110-I113 PolarHBondContact O-N 2.82Å; M110-I113 HydrophobicContact SD-CD1 3.44Å; M110-I113 WeakPolarHBondContact SD-CD1 3.44Å; E111-I113 VanDerWaalsContact C-N 3.32Å; E111-I113 PolarHBondContact O-N 3.34Å; I113-I150 HydrophobicContact CG2-CG2 4.19Å; I113-T151 WeakPolarHBondContact CA-O 3.38Å; I113-G152 WeakPolarHBondContact CG1-O 3.26Å; I113-L153 HydrophobicContact CD1-CD2 3.88Å; I113-L153 HydrophobicContact CG1-CD2 3.97Å; I113-L153 HydrophobicContact CG2-CD2 3.72Å; I113-Y159 HydrophobicContact CD1-CE1 4.25Å; I113-V246 HydrophobicContact CD1-CG1 4.23Å; I113-V246 HydrophobicContact CG2-CG1 4.42Å; I113-V246 HydrophobicContact CG2-CG2 4.39Å; I113-K268 HydrophobicContact CB-CD 3.98Å; I113-K268 HydrophobicContact CD1-CD 4.49Å; I113-K268 PolarHBondContact O-NZ 3.07Å; I113-F270 HydrophobicContact CG2-CE2 4.4Å; I113-F270 HydrophobicContact CG2-CZ 4.02Å; I113-F270 WeakPolarHBondContact O-CZ 3.5Å
114Q96.3Very high81.7Confident127 Ų12774.1 Ų74.159%0.59342%0.418SS*.EExtended strand (participates in β ladder)trans-117.2147.6176.4-66.6171.831.500110.9E112 I150 T151E112-Q114 PolarHBondContact O-N 2.97Å; Q114-I150 WeakPolarHBondContact O-CA 3.2Å; Q114-T151 PolarHBondContact N-O 2.91Å; Q114-T151 PolarHBondContact O-N 3.34Å
115V97.8Very high84.1Confident16 Ų1674.6 Ų74.610%0.09741%0.405CS..EExtended strand (participates in β ladder)trans-134.5120.6177.8-178.80000109.3V148 K149 I150 V246 F270 F272V115-V148 HydrophobicContact CG1-CB 3.58Å; V115-V148 HydrophobicContact CG1-CG1 3.76Å; V115-V148 HydrophobicContact CG1-CG2 3.95Å; V115-K149 CarbonylContact C-O 3.58Å; V115-K149 WeakPolarHBondContact CA-O 3.47Å; V115-I150 HydrophobicContact CG1-CG1 4.48Å; V115-I150 HydrophobicContact CG2-CG1 4.22Å; V115-I150 HydrophobicContact CG2-CG2 4.08Å; V115-V246 HydrophobicContact CG2-CG2 4.12Å; V115-F270 HydrophobicContact CB-CB 4.33Å; V115-F270 HydrophobicContact CB-CD1 3.83Å; V115-F270 HydrophobicContact CB-CD2 4.02Å; V115-F270 HydrophobicContact CB-CE1 4.05Å; V115-F270 HydrophobicContact CB-CE2 4.23Å; V115-F270 HydrophobicContact CB-CG 3.79Å; V115-F270 HydrophobicContact CB-CZ 4.24Å; V115-F270 HydrophobicContact CG2-CD1 4Å; V115-F270 HydrophobicContact CG2-CD2 3.48Å; V115-F270 VanDerWaalsContact CG2-CD2 3.48Å; V115-F270 HydrophobicContact CG2-CE1 3.88Å; V115-F270 HydrophobicContact CG2-CE2 3.34Å; V115-F270 HydrophobicContact CG2-CG 3.8Å; V115-F270 HydrophobicContact CG2-CZ 3.54Å; V115-F272 HydrophobicContact CG1-CE2 4.45Å; V115-F272 HydrophobicContact CG1-CZ 4.05Å; V115-F272 WeakPolarHBondContact O-CZ 3.42Å
116E98.1Very high86.6Confident102 Ų10270.3 Ų70.348%0.47737%0.369SS..EExtended strand (participates in β ladder)trans-109.1119.3-173.8-172.5-154.8148.600110.7Q118 V148 K149E116-Q118 PolarHBondContact O-N 2.73Å; E116-Q118 PolarHBondContact O-NE2 3.16Å; E116-Q118 PolarHBondContact OE1-NE2 2.95Å; E116-Q118 PolarHBondContact OE2-NE2 3.39Å; E116-V148 VanDerWaalsContact O-CA 3.32Å; E116-V148 WeakPolarHBondContact O-CA 3.34Å; E116-K149 HydrophobicContact CB-CB 4.38Å; E116-K149 PolarHBondContact N-O 3.28Å; E116-K149 PolarHBondContact O-N 3.18Å; E116-K149 IonicContact OE2-NZ 3.87Å
117L98.4Very high89.1Confident11 Ų1169.5 Ų69.56%0.05835%0.349CS..EExtended strand (participates in β ladder)trans-67112176.9179.767.7000111.5A120 W123 M146 F272 E274 T275L117-A120 HydrophobicContact CD2-CB 4.25Å; L117-A120 HydrophobicContact CG-CB 4.43Å; L117-W123 HydrophobicContact CD2-CB 4.27Å; L117-W123 HydrophobicContact CD2-CG 4.13Å; L117-M146 HydrophobicContact CD1-CG 3.72Å; L117-M146 HydrophobicContact CD1-SD 4.47Å; L117-F272 HydrophobicContact CB-CD1 3.78Å; L117-F272 HydrophobicContact CB-CD2 4.15Å; L117-F272 HydrophobicContact CB-CE1 3.81Å; L117-F272 HydrophobicContact CB-CE2 4.18Å; L117-F272 HydrophobicContact CB-CG 3.95Å; L117-F272 HydrophobicContact CB-CZ 4.01Å; L117-F272 HydrophobicContact CD1-CD2 4.21Å; L117-F272 HydrophobicContact CD2-CB 3.99Å; L117-F272 HydrophobicContact CD2-CD1 4.47Å; L117-F272 HydrophobicContact CD2-CG 4.11Å; L117-F272 HydrophobicContact CG-CG 4.42Å; L117-E274 HydrophobicContact CD2-CG 3.72Å; L117-T275 HydrophobicContact CD1-CG2 4.01Å; L117-T275 HydrophobicContact CD2-CG2 3.62Å; L117-T275 HydrophobicContact CG-CG2 4.5Å
118Q98.1Very high91.4Very high45 Ų4568.3 Ų68.321%0.2135%0.346CS..THydrogen-bonded Turntrans-77.2142.1179.6-62.9-60.7-63.500111.5E116 A120 R147 K149 V213E116-Q118 PolarHBondContact O-N 2.73Å; E116-Q118 PolarHBondContact O-NE2 3.16Å; E116-Q118 PolarHBondContact OE1-NE2 2.95Å; E116-Q118 PolarHBondContact OE2-NE2 3.39Å; Q118-A120 VanDerWaalsContact C-N 3.3Å; Q118-A120 PolarHBondContact O-N 3.24Å; Q118-R147 HydrophobicContact CB-CB 3.91Å; Q118-R147 PolarHBondContact N-O 3.37Å; Q118-K149 HydrophobicContact CG-CB 4.2Å; Q118-V213 HydrophobicContact CB-CG1 4.27Å; Q118-V213 HydrophobicContact CG-CG1 3.79Å; Q118-V213 HydrophobicContact CG-CG2 3.9Å
119C94.8Very high93.5Very high88 Ų8868.7 Ų68.760%0.59534%0.344SS*.THydrogen-bonded Turntrans57.535.5-171.9-58.60000114D121 L122 W123C119-D121 PolarHBondContact O-N 3.07Å; C119-D121 VanDerWaalsContact O-N 3.14Å; C119-L122 HydrophobicContact CB-CB 4.48Å; C119-L122 WeakPolarHBondContact O-CB 3.48Å; C119-L122 PolarHBondContact O-N 3.45Å; C119-W123 PolarHBondContact O-N 2.88Å
120A96.8Very high95Very high22 Ų2265.7 Ų65.718%0.18233%0.33CS..Hα-helixtrans-50.6-36.9178.700000113.6L117 Q118 L122 W123 K124L117-A120 HydrophobicContact CD2-CB 4.25Å; L117-A120 HydrophobicContact CG-CB 4.43Å; Q118-A120 VanDerWaalsContact C-N 3.3Å; Q118-A120 PolarHBondContact O-N 3.24Å; A120-L122 PolarHBondContact O-N 2.99Å; A120-L122 VanDerWaalsContact O-N 3.16Å; A120-W123 WeakPolarHBondContact O-CA 3.35Å; A120-W123 WeakPolarHBondContact O-CB 3.43Å; A120-W123 PolarHBondContact O-N 2.88Å; A120-K124 WeakPolarHBondContact O-CG 3.37Å; A120-K124 PolarHBondContact O-N 2.91Å
121D97.8Very high96Very high109 Ų10964.8 Ų64.858%0.58333%0.326SS*.Hα-helixtrans-61.9-21.1176.1-66.4-13000114.9C119 R125C119-D121 PolarHBondContact O-N 3.07Å; C119-D121 VanDerWaalsContact O-N 3.14Å; D121-R125 WeakPolarHBondContact O-CD 3.48Å; D121-R125 WeakPolarHBondContact O-CG 3.44Å; D121-R125 PolarHBondContact O-NE 3.15Å; D121-R125 VanDerWaalsContact O-NE 3.11Å
122L97.8Very high97.2Very high37 Ų3757 Ų5719%0.19429%0.29CS..Hα-helixtrans-83.6-37.7172.1-177.262.2000110.7C119 A120 F126 F143 P144 R295C119-L122 HydrophobicContact CB-CB 4.48Å; C119-L122 WeakPolarHBondContact O-CB 3.48Å; C119-L122 PolarHBondContact O-N 3.45Å; A120-L122 PolarHBondContact O-N 2.99Å; A120-L122 VanDerWaalsContact O-N 3.16Å; L122-F126 HydrophobicContact CD1-CD2 4.35Å; L122-F126 HydrophobicContact CD1-CE2 3.96Å; L122-F126 HydrophobicContact CG-CD2 4.34Å; L122-F126 HydrophobicContact CG-CE2 4.17Å; L122-F126 VanDerWaalsContact O-CD2 3.28Å; L122-F126 WeakPolarHBondContact O-CD2 3.24Å; L122-F126 PolarHBondContact O-N 3.1Å; L122-F143 HydrophobicContact CD2-CZ 4.26Å; L122-P144 HydrophobicContact CD2-CB 4.17Å; L122-P144 HydrophobicContact CD2-CG 3.92Å; L122-P144 HydrophobicContact CG-CG 3.87Å; L122-R295 HydrophobicContact CD1-CB 4Å; L122-R295 HydrophobicContact CD1-CG 3.85Å
123W98.4Very high97.7Very high1 Ų150.7 Ų50.70%0.00426%0.26CS..Hα-helixtrans-63.6-48.9174.2-79.3104.1000111.7L117 C119 A120 R125 F126 H127 T131 M133 P144 M146 E274 T275L117-W123 HydrophobicContact CD2-CB 4.27Å; L117-W123 HydrophobicContact CD2-CG 4.13Å; C119-W123 PolarHBondContact O-N 2.88Å; A120-W123 WeakPolarHBondContact O-CA 3.35Å; A120-W123 WeakPolarHBondContact O-CB 3.43Å; A120-W123 PolarHBondContact O-N 2.88Å; W123-R125 PolarHBondContact O-N 2.94Å; W123-F126 WeakPolarHBondContact O-CA 3.34Å; W123-F126 WeakPolarHBondContact O-CB 3.46Å; W123-F126 PolarHBondContact O-N 3.35Å; W123-H127 PolarHBondContact O-N 2.87Å; W123-T131 HydrophobicContact CZ3-CG2 4.46Å; W123-M133 HydrophobicContact CH2-CE 3.56Å; W123-M133 HydrophobicContact CZ3-CE 3.7Å; W123-P144 HydrophobicContact CD2-CB 4.24Å; W123-P144 HydrophobicContact CD2-CG 4.09Å; W123-P144 HydrophobicContact CE3-CG 4.42Å; W123-P144 HydrophobicContact CG-CG 4.47Å; W123-P144 HydrophobicContact CZ2-CB 3.88Å; W123-P144 HydrophobicContact CZ2-CG 4.43Å; W123-P144 VanDerWaalsContact CZ2-O 3.32Å; W123-P144 WeakPolarHBondContact CZ2-O 3.49Å; W123-M146 HydrophobicContact CZ2-CB 4.19Å; W123-M146 HydrophobicContact CZ2-CG 4.5Å; W123-E274 HydrophobicContact CB-CB 4.36Å; W123-E274 HydrophobicContact CB-CG 3.82Å; W123-T275 HydrophobicContact CD2-CG2 3.84Å; W123-T275 HydrophobicContact CE3-CG2 3.94Å; W123-T275 HydrophobicContact CG-CG2 4.23Å; W123-T275 HydrophobicContact CH2-CG2 4.48Å; W123-T275 HydrophobicContact CZ2-CG2 4.42Å; W123-T275 HydrophobicContact CZ3-CG2 4.25Å
124K98.3Very high97.8Very high95 Ų9551.7 Ų51.741%0.41327%0.265SS..Hα-helixtrans-52.6-50175.8-69.3170.2-174.11760111.6A120 F126 H127 D128 E274A120-K124 WeakPolarHBondContact O-CG 3.37Å; A120-K124 PolarHBondContact O-N 2.91Å; K124-F126 PolarHBondContact O-N 3Å; K124-F126 VanDerWaalsContact O-N 3.11Å; K124-H127 CarbonylContact O-C 3.54Å; K124-H127 WeakPolarHBondContact O-CA 3.44Å; K124-H127 WeakPolarHBondContact O-CB 3.33Å; K124-H127 PolarHBondContact O-N 2.68Å; K124-D128 PolarHBondContact O-N 3.47Å; K124-D128 VanDerWaalsContact O-OD2 3.11Å; K124-E274 WeakPolarHBondContact CE-OE1 3Å; K124-E274 HydrophobicContact CG-CB 3.91Å; K124-E274 HydrophobicContact CG-CG 4.1Å; K124-E274 IonicContact NZ-OE1 3.99Å
125R98.3Very high97.9Very high122 Ų12245.7 Ų45.746%0.4624%0.237SC..Hα-helixtrans-60.2-23.9175.4-68173.1-151.5-123.67.1115.3D121 W123 D128 I129 L291D121-R125 WeakPolarHBondContact O-CD 3.48Å; D121-R125 WeakPolarHBondContact O-CG 3.44Å; D121-R125 PolarHBondContact O-NE 3.15Å; D121-R125 VanDerWaalsContact O-NE 3.11Å; W123-R125 PolarHBondContact O-N 2.94Å; R125-D128 WeakPolarHBondContact CA-OD2 3.43Å; R125-I129 WeakPolarHBondContact O-CD1 3.21Å; R125-I129 WeakPolarHBondContact O-CG1 3.34Å; R125-L291 HydrophobicContact CB-CD2 4.15Å; R125-L291 VanDerWaalsContact O-CD2 3.29Å; R125-L291 WeakPolarHBondContact O-CD2 3.46Å
126F98.3Very high98Very high0 Ų047.3 Ų47.30%025%0.247CC..Hα-helixtrans-82.8-39.8170.1-84.4-69.1000111.2L122 W123 K124 I129 G130 T131 F143 P144 I288 L291 K292L122-F126 HydrophobicContact CD1-CD2 4.35Å; L122-F126 HydrophobicContact CD1-CE2 3.96Å; L122-F126 HydrophobicContact CG-CD2 4.34Å; L122-F126 HydrophobicContact CG-CE2 4.17Å; L122-F126 VanDerWaalsContact O-CD2 3.28Å; L122-F126 WeakPolarHBondContact O-CD2 3.24Å; L122-F126 PolarHBondContact O-N 3.1Å; W123-F126 WeakPolarHBondContact O-CA 3.34Å; W123-F126 WeakPolarHBondContact O-CB 3.46Å; W123-F126 PolarHBondContact O-N 3.35Å; K124-F126 PolarHBondContact O-N 3Å; K124-F126 VanDerWaalsContact O-N 3.11Å; F126-I129 PolarHBondContact O-N 2.92Å; F126-G130 CarbonylContact O-C 3.51Å; F126-G130 PolarHBondContact O-N 3Å; F126-G130 VanDerWaalsContact O-N 3.12Å; F126-T131 HydrophobicContact CB-CG2 4.07Å; F126-T131 WeakPolarHBondContact CB-OG1 3.44Å; F126-T131 PolarHBondContact O-N 3.3Å; F126-T131 PolarHBondContact O-OG1 3.14Å; F126-F143 HydrophobicContact CE2-CD1 4.26Å; F126-F143 AromaticContact CE2-CE1 3.86Å; F126-F143 HydrophobicContact CE2-CE1 3.86Å; F126-F143 HydrophobicContact CZ-CD1 4.14Å; F126-F143 AromaticContact CZ-CE1 3.9Å; F126-F143 HydrophobicContact CZ-CE1 3.9Å; F126-P144 HydrophobicContact CD2-CG 3.61Å; F126-P144 HydrophobicContact CE2-CG 3.75Å; F126-I288 HydrophobicContact CD1-CD1 3.95Å; F126-I288 HydrophobicContact CD1-CG2 4.4Å; F126-I288 HydrophobicContact CE1-CG2 4.29Å; F126-L291 HydrophobicContact CD1-CD2 3.64Å; F126-L291 HydrophobicContact CD1-CG 4.21Å; F126-L291 HydrophobicContact CD2-CD2 4.12Å; F126-L291 HydrophobicContact CE1-CB 3.8Å; F126-L291 HydrophobicContact CE1-CD2 3.63Å; F126-L291 HydrophobicContact CE1-CG 3.65Å; F126-L291 HydrophobicContact CE2-CD2 4.11Å; F126-L291 HydrophobicContact CE2-CG 4.12Å; F126-L291 HydrophobicContact CG-CD2 3.88Å; F126-L291 HydrophobicContact CZ-CB 4.09Å; F126-L291 HydrophobicContact CZ-CD2 3.87Å; F126-L291 HydrophobicContact CZ-CG 3.6Å; F126-K292 HydrophobicContact CE1-CD 3.57Å; F126-K292 HydrophobicContact CE1-CG 3.89Å; F126-K292 HydrophobicContact CZ-CD 3.74Å; F126-K292 HydrophobicContact CZ-CG 4.24Å
127H98.1Very high97.9Very high81 Ų8149.7 Ų49.738%0.37526%0.256SS..Hα-helixtrans-60.9-45.1177.5-171.489.7000112.2W123 K124 I129 G130 T131 P273 E274W123-H127 PolarHBondContact O-N 2.87Å; K124-H127 CarbonylContact O-C 3.54Å; K124-H127 WeakPolarHBondContact O-CA 3.44Å; K124-H127 WeakPolarHBondContact O-CB 3.33Å; K124-H127 PolarHBondContact O-N 2.68Å; H127-I129 PolarHBondContact O-N 3.47Å; H127-G130 PolarHBondContact O-N 3.36Å; H127-T131 WeakPolarHBondContact CA-OG1 3.34Å; H127-T131 PolarHBondContact N-OG1 2.88Å; H127-P273 PolarHBondContact CE1-O 2.89Å; H127-P273 PolarHBondContact ND1-O 2.83Å; H127-E274 HydrophobicContact CB-CB 4.25Å
128D98.1Very high97.8Very high126 Ų12652.6 Ų52.667%0.67428%0.282SS*.THydrogen-bonded Turntrans-54.7-27177.1-57-30000113.2K124 R125K124-D128 PolarHBondContact O-N 3.47Å; K124-D128 VanDerWaalsContact O-OD2 3.11Å; R125-D128 WeakPolarHBondContact CA-OD2 3.43Å
129I96.9Very high97.8Very high48 Ų4851 Ų5125%0.24628%0.277CS..THydrogen-bonded Turntrans-100.5-11.9-178.4-56.1176.5000111.3R125 F126 H127 N285 Q287 I288 L291R125-I129 WeakPolarHBondContact O-CD1 3.21Å; R125-I129 WeakPolarHBondContact O-CG1 3.34Å; F126-I129 PolarHBondContact O-N 2.92Å; H127-I129 PolarHBondContact O-N 3.47Å; I129-N285 VanDerWaalsContact CG2-ND2 3.32Å; I129-N285 WeakPolarHBondContact CG2-ND2 3.32Å; I129-N285 PolarHBondContact O-ND2 2.89Å; I129-Q287 HydrophobicContact CD1-CB 4.49Å; I129-Q287 HydrophobicContact CG2-CB 3.61Å; I129-I288 HydrophobicContact CB-CD1 3.69Å; I129-I288 HydrophobicContact CG2-CD1 3.45Å; I129-I288 VanDerWaalsContact CG2-CD1 3.45Å; I129-I288 HydrophobicContact CG2-CG1 3.75Å; I129-L291 HydrophobicContact CD1-CD2 3.93Å
130G97.4Very high98Very high24 Ų2453 Ų5325%0.24727%0.272CS..  trans83.590.5-168.600000111.8F126 H127 E132 I288F126-G130 CarbonylContact O-C 3.51Å; F126-G130 PolarHBondContact O-N 3Å; F126-G130 VanDerWaalsContact O-N 3.12Å; H127-G130 PolarHBondContact O-N 3.36Å; G130-E132 PolarHBondContact O-N 3.13Å; G130-I288 VanDerWaalsContact O-CD1 3.27Å; G130-I288 WeakPolarHBondContact O-CD1 3.32Å
131T98.6Very high98.1Very high3 Ų358.1 Ų58.12%0.01829%0.287CS..  trans-54.4124.7-176.3-50.90000112.1W123 F126 H127 M133 V276 F277 T278W123-T131 HydrophobicContact CZ3-CG2 4.46Å; F126-T131 HydrophobicContact CB-CG2 4.07Å; F126-T131 WeakPolarHBondContact CB-OG1 3.44Å; F126-T131 PolarHBondContact O-N 3.3Å; F126-T131 PolarHBondContact O-OG1 3.14Å; H127-T131 WeakPolarHBondContact CA-OG1 3.34Å; H127-T131 PolarHBondContact N-OG1 2.88Å; T131-M133 HydrophobicContact CG2-CE 4.12Å; T131-V276 WeakPolarHBondContact CB-O 3.41Å; T131-V276 PolarHBondContact OG1-O 2.95Å; T131-F277 HydrophobicContact CG2-CB 3.64Å; T131-F277 CarbonylContact O-C 3.51Å; T131-F277 VanDerWaalsContact O-CA 3.24Å; T131-F277 WeakPolarHBondContact O-CA 3.4Å; T131-F277 WeakPolarHBondContact O-CB 3.48Å; T131-T278 PolarHBondContact O-N 3.21Å
132E98.7Very high98.1Very high0 Ų053.5 Ų53.50%026%0.262CS..EExtended strand (participates in β ladder)trans-107.5141.9169.5-60.4176.9-163.200111.4G130 W182 T278 V280 Y283 Q284 N285 I288 K292G130-E132 PolarHBondContact O-N 3.13Å; E132-W182 HydrophobicContact CG-CZ2 4.03Å; E132-T278 CarbonylContact C-O 3.52Å; E132-T278 VanDerWaalsContact CA-O 3.31Å; E132-T278 WeakPolarHBondContact CA-O 3.49Å; E132-V280 HydrophobicContact CB-CG2 4.01Å; E132-V280 HydrophobicContact CG-CG1 4.43Å; E132-Y283 HydrophobicContact CB-CD1 3.94Å; E132-Y283 HydrophobicContact CB-CE1 4.24Å; E132-Y283 WeakPolarHBondContact OE2-CA 3.4Å; E132-Q284 PolarHBondContact OE2-N 3.34Å; E132-N285 VanDerWaalsContact OE1-CB 3.27Å; E132-N285 WeakPolarHBondContact OE1-CB 3.4Å; E132-N285 PolarHBondContact OE1-N 3.15Å; E132-I288 HydrophobicContact CB-CG2 4.1Å; E132-I288 HydrophobicContact CG-CG1 4.28Å; E132-K292 WeakPolarHBondContact O-CE 3.42Å; E132-K292 PolarHBondContact O-NZ 2.72Å
133M98.8Very high98.1Very high3 Ų353.3 Ų53.32%0.01526%0.26CS..EExtended strand (participates in β ladder)trans-123.4129.8172.5-67.8-63.8-172.300111.2W123 T131 M142 L221 F277 T278 V280W123-M133 HydrophobicContact CH2-CE 3.56Å; W123-M133 HydrophobicContact CZ3-CE 3.7Å; T131-M133 HydrophobicContact CG2-CE 4.12Å; M133-M142 HydrophobicContact CE-CB 4.18Å; M133-M142 HydrophobicContact SD-CB 4.22Å; M133-L221 HydrophobicContact CB-CD1 4Å; M133-L221 HydrophobicContact CG-CD1 4.48Å; M133-F277 HydrophobicContact CB-CD2 3.66Å; M133-F277 HydrophobicContact CB-CE2 3.83Å; M133-F277 HydrophobicContact CB-CG 4.09Å; M133-F277 HydrophobicContact CB-CZ 4.36Å; M133-F277 HydrophobicContact CE-CD1 4.14Å; M133-F277 HydrophobicContact CG-CB 3.85Å; M133-F277 HydrophobicContact CG-CD1 3.63Å; M133-F277 HydrophobicContact CG-CD2 3.52Å; M133-F277 HydrophobicContact CG-CE1 3.94Å; M133-F277 HydrophobicContact CG-CE2 3.87Å; M133-F277 HydrophobicContact CG-CG 3.4Å; M133-F277 HydrophobicContact CG-CZ 4.06Å; M133-T278 PolarHBondContact N-O 3.2Å; M133-V280 PolarHBondContact O-N 3.26Å
134I98.6Very high98.1Very high25 Ų2553.5 Ų53.513%0.12826%0.261CS..EExtended strand (participates in β ladder)trans-76.3129.7177.5-63.7-79.3000109.8T136 R140 V280 Y283I134-T136 HydrophobicContact CG2-CG2 3.94Å; I134-R140 HydrophobicContact CB-CG 4.13Å; I134-R140 HydrophobicContact CG2-CG 3.99Å; I134-R140 VanDerWaalsContact O-CB 3.31Å; I134-R140 WeakPolarHBondContact O-CB 3.16Å; I134-R140 WeakPolarHBondContact O-CG 3.28Å; I134-V280 CarbonylContact C-O 3.5Å; I134-V280 VanDerWaalsContact CA-O 3.26Å; I134-V280 WeakPolarHBondContact CA-O 3.42Å; I134-V280 HydrophobicContact CD1-CG2 3.99Å; I134-Y283 HydrophobicContact CD1-CD1 4.06Å; I134-Y283 HydrophobicContact CD1-CD2 4.12Å; I134-Y283 HydrophobicContact CD1-CE1 4.04Å; I134-Y283 HydrophobicContact CD1-CE2 4.1Å; I134-Y283 HydrophobicContact CD1-CG 4.1Å; I134-Y283 HydrophobicContact CG1-CD1 4.17Å; I134-Y283 HydrophobicContact CG1-CD2 4.34Å; I134-Y283 HydrophobicContact CG1-CE1 3.62Å; I134-Y283 HydrophobicContact CG1-CE2 3.82Å; I134-Y283 HydrophobicContact CG1-CG 4.5Å; I134-Y283 VanDerWaalsContact CG1-CZ 3.41Å
135I98.5Very high98.1Very high1 Ų150.2 Ų50.21%0.00525%0.251CS..  trans-112143.2170.164.3176.9000110.5L221 N223 L234 T279 V280 T281I135-L221 HydrophobicContact CG2-CB 3.76Å; I135-L221 HydrophobicContact CG2-CD1 4.39Å; I135-N223 HydrophobicContact CB-CB 4.47Å; I135-N223 HydrophobicContact CD1-CB 3.63Å; I135-N223 HydrophobicContact CG1-CB 3.94Å; I135-L234 WeakPolarHBondContact CD1-O 3.46Å; I135-T279 HydrophobicContact CG2-CG2 3.88Å; I135-V280 PolarHBondContact N-O 3.28Å; I135-T281 HydrophobicContact CG1-CG2 4.39Å
136T98.3Very high98.1Very high50 Ų5044.4 Ų44.431%0.30723%0.229SC..  trans-146.4154.9179.367.10000111.9I134 A138 G139 R140 T222 N223I134-T136 HydrophobicContact CG2-CG2 3.94Å; T136-A138 PolarHBondContact O-N 3.1Å; T136-A138 VanDerWaalsContact O-N 3.08Å; T136-G139 PolarHBondContact O-N 3.29Å; T136-R140 HydrophobicContact CG2-CB 4.34Å; T136-T222 WeakPolarHBondContact O-CA 3.22Å; T136-T222 PolarHBondContact O-OG1 3.16Å; T136-T222 VanDerWaalsContact O-OG1 3.06Å; T136-N223 WeakPolarHBondContact CA-OD1 3.03Å
137K97.1Very high98.1Very high153 Ų15349.8 Ų49.867%0.66525%0.25SC*.THydrogen-bonded Turntrans-52.2-33.5-179-173.8175.7-177.4177.50114.6T222 N223 N224K137-T222 PolarHBondContact O-OG1 2.81Å; K137-N223 PolarHBondContact N-OD1 3.35Å; K137-N224 HydrophobicContact CG-CB 4.15Å
138A97.2Very high98.1Very high72 Ų7246 Ų4660%0.59523%0.232SC*.THydrogen-bonded Turntrans-91.45-179.800000114.2T136 K220 H231T136-A138 PolarHBondContact O-N 3.1Å; T136-A138 VanDerWaalsContact O-N 3.08Å; A138-K220 PolarHBondContact O-NZ 3Å; A138-H231 PolarHBondContact O-CE1 3.18Å
139G97.9Very high98.1Very high11 Ų1144.1 Ų44.111%0.11322%0.218CC..  trans76.5126.8-176.400000113.7T136 K220 L221T136-G139 PolarHBondContact O-N 3.29Å; G139-K220 WeakPolarHBondContact O-CE 3.49Å; G139-L221 CarbonylContact C-O 3.42Å; G139-L221 WeakPolarHBondContact CA-O 3.37Å
140R98.4Very high98.2Very high130 Ų13041.9 Ų41.949%0.49121%0.206SC..EExtended strand (participates in β ladder)trans-115.6131.3-178.8-174.768.1176.4-171.5-2.3111.3I134 T136 K220 L221I134-R140 HydrophobicContact CB-CG 4.13Å; I134-R140 HydrophobicContact CG2-CG 3.99Å; I134-R140 VanDerWaalsContact O-CB 3.31Å; I134-R140 WeakPolarHBondContact O-CB 3.16Å; I134-R140 WeakPolarHBondContact O-CG 3.28Å; T136-R140 HydrophobicContact CG2-CB 4.34Å; R140-K220 CarbonylContact O-C 3.57Å; R140-K220 VanDerWaalsContact O-CA 3.31Å; R140-K220 WeakPolarHBondContact O-CA 3.47Å; R140-L221 PolarHBondContact N-O 3.37Å; R140-L221 PolarHBondContact O-N 3.01Å
141R98.3Very high98.2Very high130 Ų13043.2 Ų43.249%0.49121%0.21SC..EExtended strand (participates in β ladder)trans-66.8141.6175.2-70.3175.6175.7-142.210.7111.7D217 L219 K220R141-D217 WeakPolarHBondContact CD-O 3.48Å; R141-D217 WeakPolarHBondContact CG-O 3.48Å; R141-D217 VanDerWaalsContact CZ-O 3.3Å; R141-D217 PolarHBondContact NE-O 3.12Å; R141-D217 PolarHBondContact NH1-O 2.86Å; R141-D217 IonicContact NH1-OD2 3.28Å; R141-D217 PolarHBondContact NH1-OD2 2.96Å; R141-L219 WeakPolarHBondContact CA-O 3.3Å; R141-K220 HydrophobicContact CG-CG 4.13Å
142M98.3Very high98Very high12 Ų1244.3 Ų44.36%0.05922%0.221CC..  trans-64.6148.8174.9-59.9-165.1-65.900111.7M133 P144 M146 M163 I165 L219 L221 F277M133-M142 HydrophobicContact CE-CB 4.18Å; M133-M142 HydrophobicContact SD-CB 4.22Å; M142-P144 CarbonylContact C-O 3.59Å; M142-M146 HydrophobicContact CE-CB 4.36Å; M142-M163 HydrophobicContact CE-SD 4.03Å; M142-I165 HydrophobicContact SD-CD1 4.33Å; M142-L219 HydrophobicContact CE-CD1 4.31Å; M142-L219 HydrophobicContact CE-CD2 4.1Å; M142-L219 HydrophobicContact CG-CD2 4.38Å; M142-L219 HydrophobicContact SD-CD2 4.33Å; M142-L221 HydrophobicContact CG-CD1 3.84Å; M142-L221 HydrophobicContact CG-CD2 4.28Å; M142-L221 HydrophobicContact CG-CG 3.95Å; M142-L221 HydrophobicContact SD-CD1 4.24Å; M142-L221 HydrophobicContact SD-CD2 4.29Å; M142-F277 HydrophobicContact SD-CE1 4.07Å; M142-F277 HydrophobicContact SD-CZ 4.47Å
143F98.3Very high97.9Very high33 Ų3344.7 Ų44.715%0.14522%0.223CC..SBendtrans-142.2120.1165-174-90.9000111L122 F126 K292 R295 N296L122-F143 HydrophobicContact CD2-CZ 4.26Å; F126-F143 HydrophobicContact CE2-CD1 4.26Å; F126-F143 AromaticContact CE2-CE1 3.86Å; F126-F143 HydrophobicContact CE2-CE1 3.86Å; F126-F143 HydrophobicContact CZ-CD1 4.14Å; F126-F143 AromaticContact CZ-CE1 3.9Å; F126-F143 HydrophobicContact CZ-CE1 3.9Å; F143-K292 HydrophobicContact CD1-CD 3.86Å; F143-K292 PolarHBondContact O-NZ 3.44Å; F143-R295 HydrophobicContact CE1-CB 4.02Å; F143-R295 VanDerWaalsContact CZ-C 3.44Å; F143-R295 HydrophobicContact CZ-CB 3.99Å; F143-R295 WeakPolarHBondContact CZ-O 3.31Å; F143-N296 HydrophobicContact CD1-CB 3.88Å; F143-N296 HydrophobicContact CD2-CB 3.9Å; F143-N296 HydrophobicContact CE1-CB 3.8Å; F143-N296 HydrophobicContact CE2-CB 3.83Å; F143-N296 HydrophobicContact CG-CB 3.94Å; F143-N296 VanDerWaalsContact CZ-CA 3.42Å; F143-N296 HydrophobicContact CZ-CB 3.79Å
144P98.1Very high97.8Very high5 Ų546.3 Ų46.33%0.03223%0.232CC..SBendcis-60.4153.10.3-19.532.9000112.3L122 W123 F126 M142L122-P144 HydrophobicContact CD2-CB 4.17Å; L122-P144 HydrophobicContact CD2-CG 3.92Å; L122-P144 HydrophobicContact CG-CG 3.87Å; W123-P144 HydrophobicContact CD2-CB 4.24Å; W123-P144 HydrophobicContact CD2-CG 4.09Å; W123-P144 HydrophobicContact CE3-CG 4.42Å; W123-P144 HydrophobicContact CG-CG 4.47Å; W123-P144 HydrophobicContact CZ2-CB 3.88Å; W123-P144 HydrophobicContact CZ2-CG 4.43Å; W123-P144 VanDerWaalsContact CZ2-O 3.32Å; W123-P144 WeakPolarHBondContact CZ2-O 3.49Å; F126-P144 HydrophobicContact CD2-CG 3.61Å; F126-P144 HydrophobicContact CE2-CG 3.75Å; M142-P144 CarbonylContact C-O 3.59Å
145A97.6Very high97.7Very high25 Ų2548 Ų4821%0.20725%0.245CC..PPolyproline II helixtrans-73.4135.5167.100000107.6R147 D217A145-R147 PolarHBondContact O-N 2.72Å; A145-D217 HydrophobicContact CB-CB 3.75Å
146M98.1Very high97.5Very high0 Ų055.9 Ų55.90%028%0.282CS..PPolyproline II helixtrans-71.3134.2173.4-157.8-158.6-66.700109.2L117 W123 M142 V148 M163 F216 P242 V244L117-M146 HydrophobicContact CD1-CG 3.72Å; L117-M146 HydrophobicContact CD1-SD 4.47Å; W123-M146 HydrophobicContact CZ2-CB 4.19Å; W123-M146 HydrophobicContact CZ2-CG 4.5Å; M142-M146 HydrophobicContact CE-CB 4.36Å; M146-V148 HydrophobicContact SD-CG1 4.21Å; M146-M163 HydrophobicContact CB-CE 3.97Å; M146-M163 HydrophobicContact CE-CE 3.36Å; M146-M163 HydrophobicContact CE-SD 4.05Å; M146-M163 HydrophobicContact CG-CE 4.26Å; M146-M163 HydrophobicContact SD-CE 3.35Å; M146-M163 WeakPolarHBondContact SD-CE 3.44Å; M146-F216 PolarHBondContact O-N 2.81Å; M146-P242 HydrophobicContact CE-CB 3.31Å; M146-P242 HydrophobicContact CE-CG 4.27Å; M146-V244 HydrophobicContact CE-CG2 4.28Å; M146-V244 HydrophobicContact SD-CG2 3.43Å; M146-V244 WeakPolarHBondContact SD-CG2 3.4Å
147R98.3Very high97.4Very high114 Ų11456.4 Ų56.443%0.4328%0.28SS..EExtended strand (participates in β ladder)trans-138.4136.8179.1-74.2-177.3167.9180-3.9108Q118 A145 V213 V214 S215Q118-R147 HydrophobicContact CB-CB 3.91Å; Q118-R147 PolarHBondContact N-O 3.37Å; A145-R147 PolarHBondContact O-N 2.72Å; R147-V213 HydrophobicContact CB-CG1 3.8Å; R147-V213 HydrophobicContact CG-CG1 4.39Å; R147-V214 VanDerWaalsContact CA-O 3.26Å; R147-V214 WeakPolarHBondContact CA-O 3.49Å; R147-S215 PolarHBondContact NE-OG 2.96Å; R147-S215 VanDerWaalsContact NE-OG 3.14Å
148V98.6Very high97.4Very high0 Ų052.4 Ų52.40%026%0.264CS..EExtended strand (participates in β ladder)trans-135.1144.3-178.8-63.10000111V115 E116 M146 I150 V213 V214 F216 V244 F272V115-V148 HydrophobicContact CG1-CB 3.58Å; V115-V148 HydrophobicContact CG1-CG1 3.76Å; V115-V148 HydrophobicContact CG1-CG2 3.95Å; E116-V148 VanDerWaalsContact O-CA 3.32Å; E116-V148 WeakPolarHBondContact O-CA 3.34Å; M146-V148 HydrophobicContact SD-CG1 4.21Å; V148-I150 HydrophobicContact CG2-CD1 4.42Å; V148-I150 HydrophobicContact CG2-CG1 4.2Å; V148-V213 CarbonylContact O-C 3.6Å; V148-V214 HydrophobicContact CG2-CB 4.04Å; V148-V214 PolarHBondContact N-O 3.11Å; V148-V214 PolarHBondContact O-N 3.16Å; V148-F216 HydrophobicContact CG2-CE2 4.21Å; V148-V244 HydrophobicContact CG1-CG2 4.24Å; V148-V244 HydrophobicContact CG2-CG1 4.44Å; V148-F272 HydrophobicContact CG1-CE2 4.02Å; V148-F272 HydrophobicContact CG1-CZ 4.46Å
149K98.3Very high97.4Very high88 Ų8849.1 Ų49.138%0.38324%0.236SC..EExtended strand (participates in β ladder)trans-99.9137.6164.7-179.9-175.9165.7-156.30107.3V115 E116 Q118 V213V115-K149 CarbonylContact C-O 3.58Å; V115-K149 WeakPolarHBondContact CA-O 3.47Å; E116-K149 HydrophobicContact CB-CB 4.38Å; E116-K149 PolarHBondContact N-O 3.28Å; E116-K149 PolarHBondContact O-N 3.18Å; E116-K149 IonicContact OE2-NZ 3.87Å; Q118-K149 HydrophobicContact CG-CB 4.2Å; K149-V213 HydrophobicContact CB-CG2 4.42Å
150I98.2Very high97.4Very high1 Ų151.4 Ų51.41%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-117.9139.5-178.2-47.8-177.9000108.1I113 Q114 V115 V148 L153 I161 M210 V214 V246I113-I150 HydrophobicContact CG2-CG2 4.19Å; Q114-I150 WeakPolarHBondContact O-CA 3.2Å; V115-I150 HydrophobicContact CG1-CG1 4.48Å; V115-I150 HydrophobicContact CG2-CG1 4.22Å; V115-I150 HydrophobicContact CG2-CG2 4.08Å; V148-I150 HydrophobicContact CG2-CD1 4.42Å; V148-I150 HydrophobicContact CG2-CG1 4.2Å; I150-L153 HydrophobicContact CB-CD1 4.38Å; I150-L153 HydrophobicContact CG2-CD1 3.71Å; I150-L153 HydrophobicContact CG2-CD2 3.99Å; I150-L153 HydrophobicContact CG2-CG 3.75Å; I150-I161 HydrophobicContact CD1-CD1 3.57Å; I150-I161 HydrophobicContact CD1-CG1 4.09Å; I150-I161 HydrophobicContact CD1-CG2 4.4Å; I150-M210 WeakPolarHBondContact O-CG 3.17Å; I150-V214 HydrophobicContact CD1-CG2 4.04Å; I150-V214 HydrophobicContact CG1-CG2 4.4Å; I150-V246 HydrophobicContact CD1-CG2 4.48Å
151T97.5Very high97.3Very high51 Ų5145.2 Ų45.231%0.31322%0.218SC..EExtended strand (participates in β ladder)trans-143.2159.6177.6480000110.4I113 Q114 L153I113-T151 WeakPolarHBondContact CA-O 3.38Å; Q114-T151 PolarHBondContact N-O 2.91Å; Q114-T151 PolarHBondContact O-N 3.34Å; T151-L153 VanDerWaalsContact C-N 3.35Å
152G96Very high97.3Very high26 Ų2639 Ų3927%0.26820%0.195SC..SBendtrans76.618.6-177.500000114.2I113I113-G152 WeakPolarHBondContact CG1-O 3.26Å
153L96.4Very high97.3Very high8 Ų838.4 Ų38.44%0.04219%0.192CC..  trans-80.5149.5167.8-58.9176.1000109.9I113 I150 T151 P155 Y159 W209 M210 V246I113-L153 HydrophobicContact CD1-CD2 3.88Å; I113-L153 HydrophobicContact CG1-CD2 3.97Å; I113-L153 HydrophobicContact CG2-CD2 3.72Å; I150-L153 HydrophobicContact CB-CD1 4.38Å; I150-L153 HydrophobicContact CG2-CD1 3.71Å; I150-L153 HydrophobicContact CG2-CD2 3.99Å; I150-L153 HydrophobicContact CG2-CG 3.75Å; T151-L153 VanDerWaalsContact C-N 3.35Å; L153-P155 WeakPolarHBondContact O-CD 3.3Å; L153-Y159 HydrophobicContact CB-CE2 4Å; L153-Y159 HydrophobicContact CD2-CD1 4.06Å; L153-Y159 HydrophobicContact CD2-CD2 4.49Å; L153-Y159 HydrophobicContact CD2-CE1 3.75Å; L153-Y159 HydrophobicContact CD2-CE2 4.24Å; L153-Y159 HydrophobicContact CD2-CG 4.41Å; L153-W209 HydrophobicContact CD1-CB 3.5Å; L153-W209 VanDerWaalsContact CD1-CB 3.5Å; L153-W209 HydrophobicContact CD1-CG 4.26Å; L153-M210 HydrophobicContact CB-CE 4.15Å; L153-M210 HydrophobicContact CB-CG 4.11Å; L153-M210 HydrophobicContact CB-SD 3.94Å; L153-M210 HydrophobicContact CD1-CG 4.06Å; L153-M210 HydrophobicContact CG-CG 4.19Å; L153-M210 HydrophobicContact CG-SD 4.45Å; L153-M210 PolarHBondContact N-SD 2.87Å; L153-M210 VanDerWaalsContact N-SD 3.45Å; L153-M210 WeakPolarHBondContact O-CE 3.31Å; L153-V246 HydrophobicContact CD2-CG1 3.67Å
154D95.6Very high97.3Very high38 Ų3837.4 Ų37.420%0.20319%0.188CC..  trans-66.1122169.2-172.8-58.2000110S108 H156 Q157 Y159 G206S108-D154 WeakPolarHBondContact CB-OD2 3.47Å; S108-D154 WeakPolarHBondContact OG-CB 3.27Å; S108-D154 PolarHBondContact OG-OD2 3.46Å; D154-H156 PolarHBondContact O-N 2.97Å; D154-H156 VanDerWaalsContact O-N 3.13Å; D154-H156 WeakPolarHBondContact OD1-CA 3.41Å; D154-H156 PolarHBondContact OD1-N 2.84Å; D154-Q157 HydrophobicContact CB-CB 3.74Å; D154-Q157 PolarHBondContact OD1-N 3.01Å; D154-Y159 HydrophobicContact CB-CE2 4.41Å; D154-Y159 WeakPolarHBondContact CB-OH 3.42Å; D154-Y159 PolarHBondContact N-OH 3.14Å; D154-G206 VanDerWaalsContact O-CA 3.24Å; D154-G206 WeakPolarHBondContact O-CA 3.42Å; D154-G206 PolarHBondContact O-N 3.17Å
155P96.1Very high97.3Very high61 Ų6138 Ų3840%0.39619%0.191SC..SBendtrans-56.5-30.4-177.8-28.937.3000114.4L153 D207 M210L153-P155 WeakPolarHBondContact O-CD 3.3Å; P155-D207 HydrophobicContact CB-CB 4.15Å; P155-D207 PolarHBondContact O-N 3.45Å; P155-M210 HydrophobicContact CG-CE 4.42Å
156H95.6Very high97.3Very high166 Ų16638.8 Ų38.877%0.76919%0.193SC*.SBendtrans-99-30.5-171.9-57.5-71.4000113D154D154-H156 PolarHBondContact O-N 2.97Å; D154-H156 VanDerWaalsContact O-N 3.13Å; D154-H156 WeakPolarHBondContact OD1-CA 3.41Å; D154-H156 PolarHBondContact OD1-N 2.84Å
157Q95.5Very high97.2Very high60 Ų6043 Ų4328%0.2822%0.22SC..SBendtrans-68.3151.4177-163.161.62.400112D154 Y159 S205 G206 R248 D250D154-Q157 HydrophobicContact CB-CB 3.74Å; D154-Q157 PolarHBondContact OD1-N 3.01Å; Q157-Y159 HydrophobicContact CB-CE2 3.87Å; Q157-Y159 HydrophobicContact CG-CE2 4.36Å; Q157-Y159 WeakPolarHBondContact O-CD2 3.46Å; Q157-Y159 WeakPolarHBondContact O-CE2 3.49Å; Q157-S205 CarbonylContact O-C 3.52Å; Q157-S205 WeakPolarHBondContact O-CA 3.37Å; Q157-G206 PolarHBondContact O-N 3.37Å; Q157-R248 HydrophobicContact CG-CG 4.01Å; Q157-D250 PolarHBondContact NE2-OD1 3.2Å
158Q96.8Very high97.2Very high69 Ų6941 Ų4132%0.32222%0.221SC..EExtended strand (participates in β ladder)trans-100.2138.5178.2-56.6-168.4-63.900112.1L203 A204 K249Q158-L203 HydrophobicContact CB-CD1 3.66Å; Q158-L203 HydrophobicContact CB-CD2 4.23Å; Q158-L203 HydrophobicContact CB-CG 3.95Å; Q158-A204 WeakPolarHBondContact CA-O 3.46Å; Q158-K249 HydrophobicContact CB-CB 4.15Å; Q158-K249 HydrophobicContact CB-CD 4.21Å; Q158-K249 WeakPolarHBondContact O-CB 3.34Å; Q158-K249 PolarHBondContact O-N 3.43Å
159Y97.3Very high97.1Very high4 Ų443 Ų432%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-132.3141.9-175.7-59.2-100.5000112.3M110 I113 L153 D154 Q157 L203 A204 W209 V246 I247 R248M110-Y159 HydrophobicContact CE-CD1 4.37Å; M110-Y159 HydrophobicContact CE-CE1 3.92Å; I113-Y159 HydrophobicContact CD1-CE1 4.25Å; L153-Y159 HydrophobicContact CB-CE2 4Å; L153-Y159 HydrophobicContact CD2-CD1 4.06Å; L153-Y159 HydrophobicContact CD2-CD2 4.49Å; L153-Y159 HydrophobicContact CD2-CE1 3.75Å; L153-Y159 HydrophobicContact CD2-CE2 4.24Å; L153-Y159 HydrophobicContact CD2-CG 4.41Å; D154-Y159 HydrophobicContact CB-CE2 4.41Å; D154-Y159 WeakPolarHBondContact CB-OH 3.42Å; D154-Y159 PolarHBondContact N-OH 3.14Å; Q157-Y159 HydrophobicContact CB-CE2 3.87Å; Q157-Y159 HydrophobicContact CG-CE2 4.36Å; Q157-Y159 WeakPolarHBondContact O-CD2 3.46Å; Q157-Y159 WeakPolarHBondContact O-CE2 3.49Å; Y159-L203 VanDerWaalsContact C-CD1 3.43Å; Y159-L203 WeakPolarHBondContact O-CD1 3.41Å; Y159-A204 PolarHBondContact N-O 2.84Å; Y159-A204 PolarHBondContact O-N 2.71Å; Y159-W209 PolarHBondContact O-NE1 3.37Å; Y159-V246 HydrophobicContact CD1-CG1 3.69Å; Y159-V246 HydrophobicContact CE1-CG1 4.13Å; Y159-I247 CarbonylContact C-O 3.57Å; Y159-I247 VanDerWaalsContact CA-O 3.27Å; Y159-I247 WeakPolarHBondContact CA-O 3.41Å; Y159-R248 HydrophobicContact CD1-CG 3.97Å; Y159-R248 HydrophobicContact CE1-CG 3.68Å
160Y97.7Very high97Very high58 Ų5844.4 Ų44.423%0.22724%0.243CC..EExtended strand (participates in β ladder)trans-89.9138.5159.3-64.9-97.1000109.1I198 L203 I247 S252 L255Y160-I198 HydrophobicContact CD1-CG2 4.24Å; Y160-L203 HydrophobicContact CD2-CD1 3.75Å; Y160-L203 HydrophobicContact CE1-CB 4.07Å; Y160-L203 HydrophobicContact CE2-CB 4.39Å; Y160-L203 HydrophobicContact CE2-CD1 3.64Å; Y160-L203 HydrophobicContact CE2-CD2 4.14Å; Y160-L203 HydrophobicContact CE2-CG 4.27Å; Y160-L203 HydrophobicContact CG-CD1 4.26Å; Y160-I247 PolarHBondContact N-O 3.26Å; Y160-I247 PolarHBondContact O-N 3.06Å; Y160-S252 WeakPolarHBondContact CE2-OG 3.29Å; Y160-L255 HydrophobicContact CD1-CD2 4.04Å; Y160-L255 HydrophobicContact CD2-CD2 4.35Å; Y160-L255 HydrophobicContact CG-CD2 3.84Å
161I97.9Very high97Very high0 Ų049 Ų490%026%0.263CS..EExtended strand (participates in β ladder)trans-112.3125.5170.3-58.9-60.8000108I150 H199 S202 W209 V214 F216 H245 V246I150-I161 HydrophobicContact CD1-CD1 3.57Å; I150-I161 HydrophobicContact CD1-CG1 4.09Å; I150-I161 HydrophobicContact CD1-CG2 4.4Å; I161-H199 HydrophobicContact CB-CB 4.32Å; I161-H199 WeakPolarHBondContact O-CB 3.33Å; I161-H199 PolarHBondContact O-N 2.77Å; I161-S202 PolarHBondContact N-OG 3.01Å; I161-S202 VanDerWaalsContact N-OG 3.16Å; I161-S202 PolarHBondContact O-OG 2.71Å; I161-W209 HydrophobicContact CB-CE3 4.43Å; I161-W209 HydrophobicContact CB-CH2 3.86Å; I161-W209 HydrophobicContact CB-CZ2 3.98Å; I161-W209 HydrophobicContact CB-CZ3 4.1Å; I161-W209 HydrophobicContact CD1-CD2 4.47Å; I161-W209 HydrophobicContact CG1-CD2 3.5Å; I161-W209 VanDerWaalsContact CG1-CD2 3.5Å; I161-W209 VanDerWaalsContact CG1-CE2 3.44Å; I161-W209 HydrophobicContact CG1-CE3 3.73Å; I161-W209 HydrophobicContact CG1-CG 4.06Å; I161-W209 HydrophobicContact CG1-CH2 3.84Å; I161-W209 HydrophobicContact CG1-CZ2 3.62Å; I161-W209 HydrophobicContact CG1-CZ3 3.9Å; I161-V214 HydrophobicContact CG2-CG1 4.13Å; I161-F216 HydrophobicContact CG2-CZ 3.85Å; I161-H245 WeakPolarHBondContact CA-O 3.27Å; I161-V246 HydrophobicContact CD1-CB 4.24Å; I161-V246 HydrophobicContact CD1-CG1 4.14Å; I161-V246 HydrophobicContact CD1-CG2 3.85Å
162A97.8Very high97Very high0 Ų051.9 Ų51.90%027%0.268CS..EExtended strand (participates in β ladder)trans-136.9167.1-174.300000112.3V196 Y197 I198 H245 I247A162-V196 HydrophobicContact CB-CG1 3.8Å; A162-Y197 CarbonylContact C-O 3.56Å; A162-Y197 VanDerWaalsContact CA-O 3.32Å; A162-Y197 WeakPolarHBondContact CA-O 3.47Å; A162-I198 HydrophobicContact CB-CG1 4.48Å; A162-H245 HydrophobicContact CB-CB 4.46Å; A162-H245 PolarHBondContact N-O 2.79Å; A162-H245 PolarHBondContact O-N 3.07Å; A162-I247 HydrophobicContact CB-CD1 4.19Å
163M98.3Very high97.1Very high0 Ų051.5 Ų51.50%026%0.259CS..EExtended strand (participates in β ladder)trans-139.2132.1175.4175.8172.2-6000111.3M142 M146 Y197 F216 L219 R243 V244M142-M163 HydrophobicContact CE-SD 4.03Å; M146-M163 HydrophobicContact CB-CE 3.97Å; M146-M163 HydrophobicContact CE-CE 3.36Å; M146-M163 HydrophobicContact CE-SD 4.05Å; M146-M163 HydrophobicContact CG-CE 4.26Å; M146-M163 HydrophobicContact SD-CE 3.35Å; M146-M163 WeakPolarHBondContact SD-CE 3.44Å; M163-Y197 PolarHBondContact N-O 3.06Å; M163-Y197 PolarHBondContact O-N 3.37Å; M163-F216 HydrophobicContact CB-CD1 3.97Å; M163-F216 HydrophobicContact CB-CE1 3.68Å; M163-F216 HydrophobicContact CB-CZ 4.23Å; M163-F216 HydrophobicContact CE-CB 4.01Å; M163-F216 HydrophobicContact CE-CD1 3.78Å; M163-F216 HydrophobicContact CE-CD2 3.43Å; M163-F216 VanDerWaalsContact CE-CD2 3.43Å; M163-F216 HydrophobicContact CE-CE1 4.03Å; M163-F216 HydrophobicContact CE-CE2 3.69Å; M163-F216 HydrophobicContact CE-CG 3.46Å; M163-F216 VanDerWaalsContact CE-CG 3.46Å; M163-F216 HydrophobicContact CE-CZ 3.97Å; M163-F216 HydrophobicContact SD-CB 4.46Å; M163-F216 HydrophobicContact SD-CD1 4.35Å; M163-F216 HydrophobicContact SD-CG 4.31Å; M163-L219 HydrophobicContact CB-CD1 4.25Å; M163-L219 HydrophobicContact CG-CD1 4.02Å; M163-L219 HydrophobicContact SD-CD1 3.41Å; M163-L219 WeakPolarHBondContact SD-CD1 3.38Å; M163-R243 VanDerWaalsContact CA-O 3.24Å; M163-R243 WeakPolarHBondContact CA-O 3.08Å; M163-R243 WeakPolarHBondContact CG-O 3.31Å; M163-V244 HydrophobicContact CE-CG2 3.78Å
164D97.5Very high97.2Very high12 Ų1258.1 Ų58.16%0.06428%0.283CS..EExtended strand (participates in β ladder)trans-115.5173.5160.682.317.4000111.4V196 R243 H245 V261D164-V196 HydrophobicContact CB-CG2 4.33Å; D164-R243 PolarHBondContact N-O 2.92Å; D164-R243 PolarHBondContact O-N 2.8Å; D164-R243 IonicContact OD1-CZ 3.66Å; D164-R243 IonicContact OD1-NE 3.98Å; D164-R243 PolarHBondContact OD1-NE 2.86Å; D164-R243 IonicContact OD1-NH2 3.72Å; D164-R243 PolarHBondContact OD1-NH2 3Å; D164-R243 IonicContact OD2-CZ 3.33Å; D164-R243 IonicContact OD2-NE 3.91Å; D164-R243 IonicContact OD2-NH2 3.91Å; D164-R243 PolarHBondContact OD2-NH2 2.88Å; D164-H245 VanDerWaalsContact CG-NE2 3.32Å; D164-H245 IonicContact OD1-CE1 3.03Å; D164-H245 IonicContact OD1-NE2 3.05Å; D164-H245 PolarHBondContact OD1-NE2 3.48Å; D164-H245 IonicContact OD2-CE1 3.12Å; D164-H245 IonicContact OD2-NE2 3.91Å; D164-V261 HydrophobicContact CB-CG2 4.31Å
165I98.1Very high97.3Very high17 Ų1756.8 Ų56.89%0.08728%0.275CS..EExtended strand (participates in β ladder)trans-138.4109.2-179.7-60.1-177.4000107.3M142 L221 I232 L234 Y240 P242 F277M142-I165 HydrophobicContact SD-CD1 4.33Å; I165-L221 HydrophobicContact CD1-CD2 3.5Å; I165-L221 VanDerWaalsContact CD1-CD2 3.5Å; I165-I232 HydrophobicContact CB-CG2 4.32Å; I165-I232 HydrophobicContact CD1-CD1 3.87Å; I165-I232 HydrophobicContact CD1-CG2 4.32Å; I165-I232 HydrophobicContact CG1-CD1 3.95Å; I165-L234 HydrophobicContact CB-CD2 4.27Å; I165-L234 HydrophobicContact CG2-CD1 4.18Å; I165-L234 HydrophobicContact CG2-CD2 3.82Å; I165-Y240 HydrophobicContact CG2-CD1 4.02Å; I165-Y240 HydrophobicContact CG2-CG 4Å; I165-P242 HydrophobicContact CG1-CB 4.33Å; I165-F277 HydrophobicContact CD1-CZ 4.26Å; I165-F277 HydrophobicContact CG2-CZ 4.26Å
166V97.1Very high97.4Very high41 Ų4154.1 Ų54.125%0.24826%0.258CS..EExtended strand (participates in β ladder)trans-102.9148.6-176.5-66.80000111.7Y240 Q241 R243V166-Y240 CarbonylContact O-C 3.59Å; V166-Y240 VanDerWaalsContact O-CA 3.29Å; V166-Y240 WeakPolarHBondContact O-CA 3.44Å; V166-Q241 HydrophobicContact CG2-CB 4.26Å; V166-Q241 WeakPolarHBondContact CG2-O 3.47Å; V166-Q241 PolarHBondContact N-O 2.85Å; V166-Q241 PolarHBondContact O-N 3.09Å; V166-R243 HydrophobicContact CG2-CG 4.17Å
167P97.3Very high97.4Very high88 Ų8851 Ų5157%0.57124%0.241SC*.EExtended strand (participates in β ladder)trans-64143173.627.7-34.7000110.9K239 Y240P167-K239 WeakPolarHBondContact CA-O 3.31Å; P167-Y240 HydrophobicContact CB-CD1 4.3Å; P167-Y240 HydrophobicContact CB-CE1 4.13Å
168V97.5Very high97.3Very high73 Ų7356.6 Ų56.644%0.44227%0.266SS..SBendtrans-81.8-35.81771740000111.5K239 Q241 V276V168-K239 HydrophobicContact CB-CB 3.93Å; V168-K239 HydrophobicContact CG2-CB 4.2Å; V168-K239 PolarHBondContact N-O 2.92Å; V168-Q241 HydrophobicContact CG2-CB 3.95Å; V168-V276 HydrophobicContact CG2-CG1 4.07Å; V168-V276 HydrophobicContact CG2-CG2 4.38Å
169D96.8Very high97.2Very high41 Ų4155.5 Ų55.522%0.21927%0.266CS..SBendtrans-149.8166.9179.358.329.7000111.5K171 Y173D169-K171 HydrophobicContact CB-CD 4.42Å; D169-K171 HydrophobicContact CB-CG 4.43Å; D169-K171 PolarHBondContact O-N 3.45Å; D169-K171 WeakPolarHBondContact OD1-CB 3.28Å; D169-K171 PolarHBondContact OD1-N 2.87Å; D169-Y173 WeakPolarHBondContact OD1-CE2 3.49Å; D169-Y173 PolarHBondContact OD2-OH 3.12Å
170N96.8Very high97.1Very high118 Ų11859.1 Ų59.163%0.63129%0.292SS*.SBendtrans-88.245.7176.3-168.212.3000111.3A188N170-A188 PolarHBondContact O-N 3.09Å; N170-A188 VanDerWaalsContact O-N 3.11Å; N170-A188 WeakPolarHBondContact OD1-CB 3.45Å
171K97.6Very high96.9Very high98 Ų9863 Ų6343%0.42631%0.31SS..EExtended strand (participates in β ladder)trans-130.6136.9-174-60.8172-177.6169.10112.4D169 Y173 V184 H238D169-K171 HydrophobicContact CB-CD 4.42Å; D169-K171 HydrophobicContact CB-CG 4.43Å; D169-K171 PolarHBondContact O-N 3.45Å; D169-K171 WeakPolarHBondContact OD1-CB 3.28Å; D169-K171 PolarHBondContact OD1-N 2.87Å; K171-Y173 HydrophobicContact CB-CE2 3.89Å; K171-Y173 WeakPolarHBondContact O-CD2 3.44Å; K171-V184 HydrophobicContact CB-CG1 4.28Å; K171-V184 HydrophobicContact CD-CG1 4.38Å; K171-V184 HydrophobicContact CD-CG2 3.99Å; K171-V184 HydrophobicContact CG-CG1 4.41Å; K171-H238 PolarHBondContact O-CD2 2.83Å
172R98.1Very high96.9Very high111 Ų11165.5 Ų65.542%0.41932%0.319SS..EExtended strand (participates in β ladder)trans-93.9137.4168.5-173.9167.3173174.9-3.8109.7A185 G186 N187 D189R172-A185 PolarHBondContact O-N 2.8Å; R172-G186 PolarHBondContact N-O 2.69Å; R172-G186 PolarHBondContact O-N 3.05Å; R172-N187 WeakPolarHBondContact CB-O 3.5Å; R172-N187 PolarHBondContact N-O 3.13Å; R172-D189 IonicContact CZ-OD1 3.4Å; R172-D189 IonicContact CZ-OD2 3.67Å; R172-D189 IonicContact NE-OD1 3.71Å; R172-D189 IonicContact NE-OD2 3.99Å; R172-D189 VanDerWaalsContact NH1-CG 3.29Å; R172-D189 IonicContact NH1-OD1 2.65Å; R172-D189 PolarHBondContact NH1-OD1 3.19Å; R172-D189 IonicContact NH1-OD2 3.52Å; R172-D189 PolarHBondContact NH1-OD2 2.69Å; R172-D189 VanDerWaalsContact NH1-OD2 3.08Å
173Y98.4Very high96.9Very high19 Ų1969.9 Ų69.98%0.07534%0.341CS..EExtended strand (participates in β ladder)trans-109.9161.5-172.9-74.3-92.9000113.1D169 K171 M183 V184 M237 K239D169-Y173 WeakPolarHBondContact OD1-CE2 3.49Å; D169-Y173 PolarHBondContact OD2-OH 3.12Å; K171-Y173 HydrophobicContact CB-CE2 3.89Å; K171-Y173 WeakPolarHBondContact O-CD2 3.44Å; Y173-M183 CarbonylContact C-O 3.55Å; Y173-M183 WeakPolarHBondContact CA-O 3.3Å; Y173-M183 WeakPolarHBondContact CD1-O 3.02Å; Y173-V184 HydrophobicContact CD1-CG2 4.5Å; Y173-V184 HydrophobicContact CE1-CG2 3.95Å; Y173-M237 WeakPolarHBondContact CB-O 3.34Å; Y173-M237 PolarHBondContact N-O 3.05Å; Y173-M237 WeakPolarHBondContact O-CB 3.46Å; Y173-K239 HydrophobicContact CD2-CD 4.42Å; Y173-K239 HydrophobicContact CD2-CG 4.14Å; Y173-K239 HydrophobicContact CE1-CD 4.39Å; Y173-K239 HydrophobicContact CE2-CB 4.43Å; Y173-K239 HydrophobicContact CE2-CD 3.67Å; Y173-K239 HydrophobicContact CE2-CG 3.79Å; Y173-K239 VanDerWaalsContact CZ-NZ 3.29Å; Y173-K239 WeakPolarHBondContact OH-CE 3.32Å; Y173-K239 PolarHBondContact OH-NZ 2.66Å
174R97.9Very high96.8Very high147 Ų14773.7 Ų73.756%0.55536%0.364SS*.EExtended strand (participates in β ladder)trans-138.8137.8167.9-176170.269.5101-5.3109.9M183 A185R174-M183 PolarHBondContact N-O 2.79Å; R174-M183 PolarHBondContact O-N 2.96Å; R174-A185 HydrophobicContact CB-CB 3.92Å
175Y98.2Very high96.8Very high9 Ų976.2 Ų76.24%0.03539%0.387CS..EExtended strand (participates in β ladder)trans-83.5135.8171.8-166.7-105.8000110.7Y177 S180 W182 Q284 N285Y175-Y177 AromaticContact CD1-CD1 4Å; Y175-Y177 HydrophobicContact CD1-CD1 4Å; Y175-Y177 HydrophobicContact CD1-CD2 4.18Å; Y175-Y177 AromaticContact CD1-CE1 3.93Å; Y175-Y177 HydrophobicContact CD1-CE1 3.93Å; Y175-Y177 HydrophobicContact CD1-CE2 4.08Å; Y175-Y177 HydrophobicContact CD1-CG 4.12Å; Y175-Y177 AromaticContact CD1-CZ 3.96Å; Y175-Y177 HydrophobicContact CE1-CD1 4.03Å; Y175-Y177 HydrophobicContact CE1-CE1 4.2Å; Y175-Y177 HydrophobicContact CE1-CG 4.39Å; Y175-S180 VanDerWaalsContact OH-C 3.32Å; Y175-S180 VanDerWaalsContact OH-CA 3.29Å; Y175-S180 WeakPolarHBondContact OH-CA 3.18Å; Y175-S180 WeakPolarHBondContact OH-CB 3.44Å; Y175-S180 PolarHBondContact OH-O 3.4Å; Y175-W182 AromaticContact CD2-CD1 3.9Å; Y175-W182 AromaticContact CD2-CD2 3.84Å; Y175-W182 HydrophobicContact CD2-CD2 3.84Å; Y175-W182 AromaticContact CD2-CE2 3.75Å; Y175-W182 HydrophobicContact CD2-CE3 4.45Å; Y175-W182 AromaticContact CD2-CG 3.95Å; Y175-W182 HydrophobicContact CD2-CG 3.95Å; Y175-W182 HydrophobicContact CD2-CZ2 4.31Å; Y175-W182 AromaticContact CD2-NE1 3.76Å; Y175-Q284 HydrophobicContact CD1-CB 3.75Å; Y175-Q284 HydrophobicContact CD2-CB 4.26Å; Y175-Q284 HydrophobicContact CE1-CB 4.46Å; Y175-Q284 HydrophobicContact CG-CB 3.61Å; Y175-Q284 HydrophobicContact CG-CG 4.48Å; Y175-N285 HydrophobicContact CE2-CB 4.01Å
176V97.5Very high96.8Very high6 Ų677 Ų774%0.03640%0.399CS..EExtended strand (participates in β ladder)trans-113.1100.2-178-178.50000108.7H178 S179 S180 K181 M183V176-H178 WeakPolarHBondContact CG1-NE2 3.43Å; V176-H178 PolarHBondContact O-N 3.19Å; V176-S179 VanDerWaalsContact CG1-OG 3.3Å; V176-S179 WeakPolarHBondContact CG1-OG 3.46Å; V176-S179 PolarHBondContact O-N 3.39Å; V176-S179 PolarHBondContact O-OG 3.09Å; V176-S180 WeakPolarHBondContact O-CA 3.34Å; V176-S180 PolarHBondContact O-N 2.86Å; V176-K181 PolarHBondContact N-O 2.84Å; V176-K181 PolarHBondContact O-N 3.31Å; V176-M183 HydrophobicContact CG2-CB 4.31Å; V176-M183 HydrophobicContact CG2-CE 3.89Å; V176-M183 HydrophobicContact CG2-CG 3.76Å; V176-M183 HydrophobicContact CG2-SD 3.9Å
177Y95.4Very high96.7Very high101 Ų10181.2 Ų81.240%0.39642%0.42SS..G310 helixtrans-59.6-44.3-169.6-71.1-90.2000113.7V20 Y175 S179 S180 Q284V20-Y177 WeakPolarHBondContact CG2-OH 3.35Å; Y175-Y177 AromaticContact CD1-CD1 4Å; Y175-Y177 HydrophobicContact CD1-CD1 4Å; Y175-Y177 HydrophobicContact CD1-CD2 4.18Å; Y175-Y177 AromaticContact CD1-CE1 3.93Å; Y175-Y177 HydrophobicContact CD1-CE1 3.93Å; Y175-Y177 HydrophobicContact CD1-CE2 4.08Å; Y175-Y177 HydrophobicContact CD1-CG 4.12Å; Y175-Y177 AromaticContact CD1-CZ 3.96Å; Y175-Y177 HydrophobicContact CE1-CD1 4.03Å; Y175-Y177 HydrophobicContact CE1-CE1 4.2Å; Y175-Y177 HydrophobicContact CE1-CG 4.39Å; Y177-S179 PolarHBondContact O-N 2.8Å; Y177-S180 PolarHBondContact O-N 3.5Å; Y177-S180 VanDerWaalsContact O-N 3.13Å; Y177-S180 PolarHBondContact O-OG 3.14Å; Y177-Q284 PolarHBondContact OH-OE1 2.97Å
178H94.3Very high96.6Very high176 Ų17678.2 Ų78.282%0.81540%0.403SS*.G310 helixtrans-68.2-20.5-177.16478.9000114.1V176V176-H178 WeakPolarHBondContact CG1-NE2 3.43Å; V176-H178 PolarHBondContact O-N 3.19Å
179S93.9Very high96.4Very high47 Ų4777.4 Ų77.433%0.32940%0.396SS..G310 helixtrans-107.6-2.1173.560.60000113.2V176 Y177 K181V176-S179 VanDerWaalsContact CG1-OG 3.3Å; V176-S179 WeakPolarHBondContact CG1-OG 3.46Å; V176-S179 PolarHBondContact O-N 3.39Å; V176-S179 PolarHBondContact O-OG 3.09Å; Y177-S179 PolarHBondContact O-N 2.8Å; S179-K181 WeakPolarHBondContact O-CG 3.39Å; S179-K181 PolarHBondContact O-N 2.9Å
180S94.4Very high96.2Very high79 Ų7980.2 Ų80.255%0.55242%0.419SS*.THydrogen-bonded Turntrans49.735.2-173.4-58.80000114.7Y175 V176 Y177Y175-S180 VanDerWaalsContact OH-C 3.32Å; Y175-S180 VanDerWaalsContact OH-CA 3.29Å; Y175-S180 WeakPolarHBondContact OH-CA 3.18Å; Y175-S180 WeakPolarHBondContact OH-CB 3.44Å; Y175-S180 PolarHBondContact OH-O 3.4Å; V176-S180 WeakPolarHBondContact O-CA 3.34Å; V176-S180 PolarHBondContact O-N 2.86Å; Y177-S180 PolarHBondContact O-N 3.5Å; Y177-S180 VanDerWaalsContact O-N 3.13Å; Y177-S180 PolarHBondContact O-OG 3.14Å
181K94.9Very high95.9Very high140 Ų14080.7 Ų80.761%0.60943%0.429SS*.EExtended strand (participates in β ladder)trans-125.5146.5-172.7-78171.3-176.4-175.50113.3V176 S179V176-K181 PolarHBondContact N-O 2.84Å; V176-K181 PolarHBondContact O-N 3.31Å; S179-K181 WeakPolarHBondContact O-CG 3.39Å; S179-K181 PolarHBondContact O-N 2.9Å
182W97.1Very high95.6Very high52 Ų5277.6 Ų77.620%0.19742%0.418CS..EExtended strand (participates in β ladder)trans-77.2132.5164.7-74.2102.4000110.2E132 Y175 M237 T278 V280 Q284E132-W182 HydrophobicContact CG-CZ2 4.03Å; Y175-W182 AromaticContact CD2-CD1 3.9Å; Y175-W182 AromaticContact CD2-CD2 3.84Å; Y175-W182 HydrophobicContact CD2-CD2 3.84Å; Y175-W182 AromaticContact CD2-CE2 3.75Å; Y175-W182 HydrophobicContact CD2-CE3 4.45Å; Y175-W182 AromaticContact CD2-CG 3.95Å; Y175-W182 HydrophobicContact CD2-CG 3.95Å; Y175-W182 HydrophobicContact CD2-CZ2 4.31Å; Y175-W182 AromaticContact CD2-NE1 3.76Å; W182-M237 HydrophobicContact CH2-CE 3.95Å; W182-M237 HydrophobicContact CH2-SD 4.19Å; W182-M237 HydrophobicContact CZ3-CE 3.65Å; W182-M237 HydrophobicContact CZ3-SD 4.3Å; W182-T278 HydrophobicContact CE3-CG2 4.4Å; W182-T278 HydrophobicContact CH2-CG2 3.65Å; W182-T278 HydrophobicContact CZ2-CG2 3.95Å; W182-T278 HydrophobicContact CZ3-CG2 3.9Å; W182-V280 HydrophobicContact CH2-CG1 3.81Å; W182-V280 HydrophobicContact CZ2-CG1 4.19Å; W182-Q284 HydrophobicContact CH2-CB 4.37Å; W182-Q284 HydrophobicContact CH2-CG 3.81Å; W182-Q284 HydrophobicContact CZ2-CB 4.19Å; W182-Q284 HydrophobicContact CZ2-CG 4.08Å
183M97.2Very high95.2Very high92 Ų9276.2 Ų76.245%0.45342%0.423SS..EExtended strand (participates in β ladder)trans-126.7156.2172.3-52.8-161.2-26.800110.4Y173 R174 V176Y173-M183 CarbonylContact C-O 3.55Å; Y173-M183 WeakPolarHBondContact CA-O 3.3Å; Y173-M183 WeakPolarHBondContact CD1-O 3.02Å; R174-M183 PolarHBondContact N-O 2.79Å; R174-M183 PolarHBondContact O-N 2.96Å; V176-M183 HydrophobicContact CG2-CB 4.31Å; V176-M183 HydrophobicContact CG2-CE 3.89Å; V176-M183 HydrophobicContact CG2-CG 3.76Å; V176-M183 HydrophobicContact CG2-SD 3.9Å
184V98Very high94.8Very high81 Ų8178.5 Ų78.549%0.49144%0.44SS..EExtended strand (participates in β ladder)trans-69.1137.2170.3-178.80000108.7K171 Y173K171-V184 HydrophobicContact CB-CG1 4.28Å; K171-V184 HydrophobicContact CD-CG1 4.38Å; K171-V184 HydrophobicContact CD-CG2 3.99Å; K171-V184 HydrophobicContact CG-CG1 4.41Å; Y173-V184 HydrophobicContact CD1-CG2 4.5Å; Y173-V184 HydrophobicContact CE1-CG2 3.95Å
185A97Very high94.7Very high65 Ų6573.6 Ų73.654%0.53742%0.422SS..EExtended strand (participates in β ladder)trans-112.5-21.117800000112.9R172 R174R172-A185 PolarHBondContact O-N 2.8Å; R174-A185 HydrophobicContact CB-CB 3.92Å
186G96.6Very high94.6Very high33 Ų3373.5 Ų73.534%0.3442%0.422SS..EExtended strand (participates in β ladder)trans169.8-167.6176.700000111.8R172R172-G186 PolarHBondContact N-O 2.69Å; R172-G186 PolarHBondContact O-N 3.05Å
187N96.4Very high94.6Very high129 Ų12975.1 Ų75.169%0.6943%0.428SS*.EExtended strand (participates in β ladder)trans-60.4160.9167.3-6065.3000111.1R172R172-N187 WeakPolarHBondContact CB-O 3.5Å; R172-N187 PolarHBondContact N-O 3.13Å
188A95.1Very high94.7Very high26 Ų2672.6 Ų72.622%0.21542%0.421CS..PPolyproline II helixtrans-70.5158.917400000112.8N170 H238N170-A188 PolarHBondContact O-N 3.09Å; N170-A188 VanDerWaalsContact O-N 3.11Å; N170-A188 WeakPolarHBondContact OD1-CB 3.45Å; A188-H238 VanDerWaalsContact CA-NE2 3.25Å; A188-H238 WeakPolarHBondContact CA-NE2 3.32Å; A188-H238 WeakPolarHBondContact CB-NE2 3.44Å
189D93.2Very high94.9Very high56 Ų5664.7 Ų64.730%0.29938%0.384SS..PPolyproline II helixtrans-71.9153.9167.1-58.4-32000110.1R172 H238R172-D189 IonicContact CZ-OD1 3.4Å; R172-D189 IonicContact CZ-OD2 3.67Å; R172-D189 IonicContact NE-OD1 3.71Å; R172-D189 IonicContact NE-OD2 3.99Å; R172-D189 VanDerWaalsContact NH1-CG 3.29Å; R172-D189 IonicContact NH1-OD1 2.65Å; R172-D189 PolarHBondContact NH1-OD1 3.19Å; R172-D189 IonicContact NH1-OD2 3.52Å; R172-D189 PolarHBondContact NH1-OD2 2.69Å; R172-D189 VanDerWaalsContact NH1-OD2 3.08Å; D189-H238 PolarHBondContact N-NE2 3.12Å; D189-H238 VanDerWaalsContact N-NE2 3.13Å; D189-H238 IonicContact OD2-CE1 3.59Å; D189-H238 PolarHBondContact OD2-CE1 3.06Å; D189-H238 VanDerWaalsContact OD2-CE1 3.28Å
190S92.8Very high95.1Very high99 Ų9965.7 Ų65.769%0.69239%0.389SS*.PPolyproline II helixtrans-50.6140-173-60.20000113.9V192 H235S190-V192 PolarHBondContact O-N 3.17Å; S190-H235 PolarHBondContact O-CD2 3.17Å; S190-H235 PolarHBondContact O-NE2 3.21Å
191P90.2Very high95.2Very high129 Ų12965.9 Ų65.984%0.83838%0.384SS*.PPolyproline II helixtrans-61130.2-173.424.8-34.6000112.6
192V90.4Very high95.3Very high33 Ų3360.5 Ų60.520%0.236%0.364CS..PPolyproline II helixtrans-71.4152.4177.1-63.20000111.7S190 I233 H235S190-V192 PolarHBondContact O-N 3.17Å; V192-I233 HydrophobicContact CB-CG2 4.19Å; V192-I233 HydrophobicContact CG1-CG2 3.92Å; V192-H235 WeakPolarHBondContact CG1-NE2 3.42Å
193P90.1Very high95.2Very high81 Ų8160.6 Ų60.653%0.52637%0.368SS..PPolyproline II helixtrans-55.2131.1172.9-26.535.6000111.9
194P90.6Very high95.3Very high67 Ų6756.9 Ų56.944%0.43535%0.352SS..PPolyproline II helixtrans-55.6138.2-179.8-27.835.5000113T258 P260P194-T258 CarbonylContact O-C 3.58Å; P194-P260 HydrophobicContact CB-CG 4.09Å; P194-P260 HydrophobicContact CG-CG 3.98Å
195R95.4Very high95.3Very high45 Ų4554.5 Ų54.517%0.1734%0.339CS..  trans-137.8137.4175-70.9-168.1175.5-158.9-6.7112.7D227 H231 I233 P257R195-D227 VanDerWaalsContact CZ-O 3.26Å; R195-D227 PolarHBondContact NH1-O 2.85Å; R195-D227 IonicContact NH1-OD2 3.08Å; R195-D227 PolarHBondContact NH1-OD2 3.35Å; R195-D227 PolarHBondContact NH2-O 3.32Å; R195-H231 WeakPolarHBondContact CD-O 3.45Å; R195-H231 PolarHBondContact NH1-O 2.88Å; R195-I233 VanDerWaalsContact CZ-CD1 3.4Å; R195-P257 WeakPolarHBondContact CA-O 3.24Å
196V96.7Very high95.3Very high6 Ų651.4 Ų51.44%0.03631%0.313CS..  trans-122.5118.9-176.7179.40000108.8A162 D164 I198 L255 P257 K259 V261A162-V196 HydrophobicContact CB-CG1 3.8Å; D164-V196 HydrophobicContact CB-CG2 4.33Å; V196-I198 HydrophobicContact CG1-CG1 4.31Å; V196-I198 PolarHBondContact O-N 3.12Å; V196-L255 HydrophobicContact CG1-CD1 4.22Å; V196-P257 PolarHBondContact N-O 3.37Å; V196-P257 WeakPolarHBondContact O-CA 3.36Å; V196-K259 VanDerWaalsContact CG2-O 3.23Å; V196-K259 WeakPolarHBondContact CG2-O 3.19Å; V196-V261 HydrophobicContact CB-CG2 4.39Å; V196-V261 HydrophobicContact CG1-CG2 3.91Å; V196-V261 HydrophobicContact CG2-CG2 3.51Å
197Y97.8Very high95.3Very high41 Ų4153 Ų5316%0.16131%0.314CS..EExtended strand (participates in β ladder)trans-83.2104.6170.6-178.3-90.9000109.4A162 M163 P200 F216 K218 L219A162-Y197 CarbonylContact C-O 3.56Å; A162-Y197 VanDerWaalsContact CA-O 3.32Å; A162-Y197 WeakPolarHBondContact CA-O 3.47Å; M163-Y197 PolarHBondContact N-O 3.06Å; M163-Y197 PolarHBondContact O-N 3.37Å; Y197-P200 WeakPolarHBondContact OH-CD 3.44Å; Y197-F216 AromaticContact CD1-CD1 3.69Å; Y197-F216 HydrophobicContact CD1-CD1 3.69Å; Y197-F216 HydrophobicContact CD1-CE1 4.16Å; Y197-F216 AromaticContact CE1-CD1 3.86Å; Y197-F216 HydrophobicContact CE1-CD1 3.86Å; Y197-F216 HydrophobicContact CE1-CE1 4.49Å; Y197-K218 WeakPolarHBondContact OH-CB 3.43Å; Y197-L219 HydrophobicContact CD1-CB 4.23Å; Y197-L219 HydrophobicContact CD1-CD1 3.86Å; Y197-L219 HydrophobicContact CD1-CG 4.24Å; Y197-L219 HydrophobicContact CD2-CB 4.14Å; Y197-L219 HydrophobicContact CD2-CD1 4.4Å; Y197-L219 HydrophobicContact CD2-CG 4Å; Y197-L219 HydrophobicContact CE1-CB 4.3Å; Y197-L219 HydrophobicContact CE2-CB 4.24Å; Y197-L219 HydrophobicContact CG-CB 4.15Å; Y197-L219 HydrophobicContact CG-CD1 3.71Å; Y197-L219 HydrophobicContact CG-CG 3.81Å
198I97.5Very high95.4Very high48 Ų4849.1 Ų49.125%0.24630%0.295CS..EExtended strand (participates in β ladder)trans-79.1130.2171.3-55.5175.9000108.1Y160 A162 V196 L255 P257Y160-I198 HydrophobicContact CD1-CG2 4.24Å; A162-I198 HydrophobicContact CB-CG1 4.48Å; V196-I198 HydrophobicContact CG1-CG1 4.31Å; V196-I198 PolarHBondContact O-N 3.12Å; I198-L255 HydrophobicContact CD1-CD1 4.24Å; I198-L255 HydrophobicContact CD1-CD2 4.11Å; I198-L255 HydrophobicContact CD1-CG 3.92Å; I198-L255 HydrophobicContact CG1-CD1 4.44Å; I198-P257 HydrophobicContact CD1-CG 4.18Å
199H97.9Very high95.5Very high10 Ų1048.3 Ų48.35%0.04629%0.286CS..  trans-64.6131.8178.4-169.7-92.2000109.6I161 D201 S202 W209 S215 F216I161-H199 HydrophobicContact CB-CB 4.32Å; I161-H199 WeakPolarHBondContact O-CB 3.33Å; I161-H199 PolarHBondContact O-N 2.77Å; H199-D201 VanDerWaalsContact CE1-CG 3.49Å; H199-D201 IonicContact CE1-OD1 2.69Å; H199-D201 IonicContact CE1-OD2 3.41Å; H199-D201 PolarHBondContact CE1-OD2 3.2Å; H199-D201 PolarHBondContact ND1-N 2.95Å; H199-D201 IonicContact ND1-OD2 3.49Å; H199-D201 PolarHBondContact O-N 3.34Å; H199-S202 VanDerWaalsContact O-CB 3.23Å; H199-S202 WeakPolarHBondContact O-CB 3.37Å; H199-S202 PolarHBondContact O-N 3.07Å; H199-S202 PolarHBondContact O-OG 3.03Å; H199-W209 HydrophobicContact CB-CH2 4.14Å; H199-W209 AromaticContact ND1-CH2 3.51Å; H199-W209 AromaticContact ND1-CZ3 3.51Å; H199-S215 PolarHBondContact NE2-O 3.04Å; H199-F216 HydrophobicContact CB-CE1 4.4Å
200P97Very high95.7Very high67 Ų6748.1 Ų48.144%0.43528%0.284SS..THydrogen-bonded Turntrans-64.2-19.2-169.224.8-35.8000114.4Y197 K218Y197-P200 WeakPolarHBondContact OH-CD 3.44Å; P200-K218 HydrophobicContact CG-CD 4.14Å
201D97Very high96Very high84 Ų8450.9 Ų50.945%0.44928%0.28SS..THydrogen-bonded Turntrans-85.21.7177.5-49.6-0.3000111.9H199 A204 W209H199-D201 VanDerWaalsContact CE1-CG 3.49Å; H199-D201 IonicContact CE1-OD1 2.69Å; H199-D201 IonicContact CE1-OD2 3.41Å; H199-D201 PolarHBondContact CE1-OD2 3.2Å; H199-D201 PolarHBondContact ND1-N 2.95Å; H199-D201 IonicContact ND1-OD2 3.49Å; H199-D201 PolarHBondContact O-N 3.34Å; D201-A204 WeakPolarHBondContact O-CB 3.13Å; D201-W209 HydrophobicContact CB-CH2 4.05Å; D201-W209 HydrophobicContact CB-CZ3 4.31Å
202S96.4Very high96.3Very high26 Ų2651 Ų5118%0.18227%0.269CS..  trans-78.2137.1168.9-47.80000109.8I161 H199 W209I161-S202 PolarHBondContact N-OG 3.01Å; I161-S202 VanDerWaalsContact N-OG 3.16Å; I161-S202 PolarHBondContact O-OG 2.71Å; H199-S202 VanDerWaalsContact O-CB 3.23Å; H199-S202 WeakPolarHBondContact O-CB 3.37Å; H199-S202 PolarHBondContact O-N 3.07Å; H199-S202 PolarHBondContact O-OG 3.03Å; S202-W209 WeakPolarHBondContact OG-CZ2 3.23Å
203L96.8Very high96.7Very high54 Ų5452.3 Ų52.328%0.28328%0.277SS..SBendcis-93.5129.38.4176.559.8000112.5Q158 Y159 Y160 K249Q158-L203 HydrophobicContact CB-CD1 3.66Å; Q158-L203 HydrophobicContact CB-CD2 4.23Å; Q158-L203 HydrophobicContact CB-CG 3.95Å; Y159-L203 VanDerWaalsContact C-CD1 3.43Å; Y159-L203 WeakPolarHBondContact O-CD1 3.41Å; Y160-L203 HydrophobicContact CD2-CD1 3.75Å; Y160-L203 HydrophobicContact CE1-CB 4.07Å; Y160-L203 HydrophobicContact CE2-CB 4.39Å; Y160-L203 HydrophobicContact CE2-CD1 3.64Å; Y160-L203 HydrophobicContact CE2-CD2 4.14Å; Y160-L203 HydrophobicContact CE2-CG 4.27Å; Y160-L203 HydrophobicContact CG-CD1 4.26Å; L203-K249 HydrophobicContact CD1-CB 4.29Å; L203-K249 HydrophobicContact CD2-CB 4.39Å; L203-K249 HydrophobicContact CD2-CD 3.8Å; L203-K249 HydrophobicContact CD2-CG 3.79Å
204A97.8Very high97.1Very high14 Ų1448.8 Ų48.812%0.11625%0.254CS..EExtended strand (participates in β ladder)trans-136164.7178.800000113.1Q158 Y159 D201 T208 W209Q158-A204 WeakPolarHBondContact CA-O 3.46Å; Y159-A204 PolarHBondContact N-O 2.84Å; Y159-A204 PolarHBondContact O-N 2.71Å; D201-A204 WeakPolarHBondContact O-CB 3.13Å; A204-T208 HydrophobicContact CB-CG2 3.8Å; A204-W209 HydrophobicContact CB-CZ2 4.12Å; A204-W209 PolarHBondContact O-NE1 2.94Å
205S97.6Very high97.4Very high31 Ų3146.5 Ų46.522%0.21724%0.24CC..EExtended strand (participates in β ladder)trans-73.1157.2178.467.20000112.8Q157 D207 T208 W209Q157-S205 CarbonylContact O-C 3.52Å; Q157-S205 WeakPolarHBondContact O-CA 3.37Å; S205-D207 VanDerWaalsContact C-N 3.3Å; S205-D207 PolarHBondContact O-N 3.33Å; S205-T208 WeakPolarHBondContact O-CA 3.25Å; S205-T208 WeakPolarHBondContact O-CB 3.49Å; S205-T208 PolarHBondContact O-N 3.36Å; S205-T208 PolarHBondContact OG-N 3.23Å; S205-T208 PolarHBondContact OG-OG1 2.83Å; S205-W209 PolarHBondContact O-N 2.93Å; S205-W209 VanDerWaalsContact O-N 3.1Å
206G97.1Very high97.6Very high0 Ų044.4 Ų44.40%023%0.232CC..Hα-helixtrans-58.4-40.1176.700000113D154 Q157 T208 W209 M210D154-G206 VanDerWaalsContact O-CA 3.24Å; D154-G206 WeakPolarHBondContact O-CA 3.42Å; D154-G206 PolarHBondContact O-N 3.17Å; Q157-G206 PolarHBondContact O-N 3.37Å; G206-T208 VanDerWaalsContact C-N 3.29Å; G206-T208 PolarHBondContact O-N 3.39Å; G206-W209 PolarHBondContact O-N 3.11Å; G206-W209 VanDerWaalsContact O-N 3.15Å; G206-M210 WeakPolarHBondContact O-CG 3.38Å; G206-M210 PolarHBondContact O-N 3.32Å
207D97.6Very high97.6Very high66 Ų6646.6 Ų46.635%0.35324%0.243SC..Hα-helixtrans-57.3-43.5172.3-175.468.6000111.4P155 S205 W209 M210 R211P155-D207 HydrophobicContact CB-CB 4.15Å; P155-D207 PolarHBondContact O-N 3.45Å; S205-D207 VanDerWaalsContact C-N 3.3Å; S205-D207 PolarHBondContact O-N 3.33Å; D207-W209 VanDerWaalsContact C-N 3.29Å; D207-W209 PolarHBondContact O-N 3.46Å; D207-M210 PolarHBondContact O-N 2.91Å; D207-M210 VanDerWaalsContact O-N 3.16Å; D207-R211 VanDerWaalsContact O-CG 3.31Å; D207-R211 WeakPolarHBondContact O-CG 3.27Å; D207-R211 PolarHBondContact O-N 3.45Å; D207-R211 IonicContact OD2-CZ 3.57Å; D207-R211 IonicContact OD2-NH1 3.67Å; D207-R211 PolarHBondContact OD2-NH1 3.37Å
208T97.9Very high97.5Very high48 Ų4849.7 Ų49.729%0.29426%0.258SS..Hα-helixtrans-61.7-36.2178.3-60.50000113.1A204 S205 G206 R211A204-T208 HydrophobicContact CB-CG2 3.8Å; S205-T208 WeakPolarHBondContact O-CA 3.25Å; S205-T208 WeakPolarHBondContact O-CB 3.49Å; S205-T208 PolarHBondContact O-N 3.36Å; S205-T208 PolarHBondContact OG-N 3.23Å; S205-T208 PolarHBondContact OG-OG1 2.83Å; G206-T208 VanDerWaalsContact C-N 3.29Å; G206-T208 PolarHBondContact O-N 3.39Å; T208-R211 PolarHBondContact OG1-NH1 3.02Å; T208-R211 PolarHBondContact OG1-NH2 3.1Å
209W98.1Very high97.6Very high9 Ų947.4 Ų47.43%0.03425%0.246CC..Hα-helixtrans-76.4-30.6175.5-68.3120.9000113.7L153 Y159 I161 H199 D201 S202 A204 S205 G206 D207 V214L153-W209 HydrophobicContact CD1-CB 3.5Å; L153-W209 VanDerWaalsContact CD1-CB 3.5Å; L153-W209 HydrophobicContact CD1-CG 4.26Å; Y159-W209 PolarHBondContact O-NE1 3.37Å; I161-W209 HydrophobicContact CB-CE3 4.43Å; I161-W209 HydrophobicContact CB-CH2 3.86Å; I161-W209 HydrophobicContact CB-CZ2 3.98Å; I161-W209 HydrophobicContact CB-CZ3 4.1Å; I161-W209 HydrophobicContact CD1-CD2 4.47Å; I161-W209 HydrophobicContact CG1-CD2 3.5Å; I161-W209 VanDerWaalsContact CG1-CD2 3.5Å; I161-W209 VanDerWaalsContact CG1-CE2 3.44Å; I161-W209 HydrophobicContact CG1-CE3 3.73Å; I161-W209 HydrophobicContact CG1-CG 4.06Å; I161-W209 HydrophobicContact CG1-CH2 3.84Å; I161-W209 HydrophobicContact CG1-CZ2 3.62Å; I161-W209 HydrophobicContact CG1-CZ3 3.9Å; H199-W209 HydrophobicContact CB-CH2 4.14Å; H199-W209 AromaticContact ND1-CH2 3.51Å; H199-W209 AromaticContact ND1-CZ3 3.51Å; D201-W209 HydrophobicContact CB-CH2 4.05Å; D201-W209 HydrophobicContact CB-CZ3 4.31Å; S202-W209 WeakPolarHBondContact OG-CZ2 3.23Å; A204-W209 HydrophobicContact CB-CZ2 4.12Å; A204-W209 PolarHBondContact O-NE1 2.94Å; S205-W209 PolarHBondContact O-N 2.93Å; S205-W209 VanDerWaalsContact O-N 3.1Å; G206-W209 PolarHBondContact O-N 3.11Å; G206-W209 VanDerWaalsContact O-N 3.15Å; D207-W209 VanDerWaalsContact C-N 3.29Å; D207-W209 PolarHBondContact O-N 3.46Å; W209-V214 HydrophobicContact CE3-CG2 3.71Å; W209-V214 HydrophobicContact CZ3-CG1 4.06Å; W209-V214 HydrophobicContact CZ3-CG2 4.08Å
210M97.9Very high97.6Very high53 Ų5350.2 Ų50.226%0.26126%0.258SS..Hα-helixtrans-80.4-24.7178.6-66-169.3-67.900113.4I150 L153 P155 G206 D207 Q212I150-M210 WeakPolarHBondContact O-CG 3.17Å; L153-M210 HydrophobicContact CB-CE 4.15Å; L153-M210 HydrophobicContact CB-CG 4.11Å; L153-M210 HydrophobicContact CB-SD 3.94Å; L153-M210 HydrophobicContact CD1-CG 4.06Å; L153-M210 HydrophobicContact CG-CG 4.19Å; L153-M210 HydrophobicContact CG-SD 4.45Å; L153-M210 PolarHBondContact N-SD 2.87Å; L153-M210 VanDerWaalsContact N-SD 3.45Å; L153-M210 WeakPolarHBondContact O-CE 3.31Å; P155-M210 HydrophobicContact CG-CE 4.42Å; G206-M210 WeakPolarHBondContact O-CG 3.38Å; G206-M210 PolarHBondContact O-N 3.32Å; D207-M210 PolarHBondContact O-N 2.91Å; D207-M210 VanDerWaalsContact O-N 3.16Å; M210-Q212 VanDerWaalsContact C-N 3.25Å; M210-Q212 PolarHBondContact O-N 3.36Å
211R97.7Very high97.6Very high157 Ų15747 Ų4759%0.59224%0.237SC*.SBendtrans-61.6-23.1-179.3-78.6-173.1-43.9-109.53.7114.9D207 T208D207-R211 VanDerWaalsContact O-CG 3.31Å; D207-R211 WeakPolarHBondContact O-CG 3.27Å; D207-R211 PolarHBondContact O-N 3.45Å; D207-R211 IonicContact OD2-CZ 3.57Å; D207-R211 IonicContact OD2-NH1 3.67Å; D207-R211 PolarHBondContact OD2-NH1 3.37Å; T208-R211 PolarHBondContact OG1-NH1 3.02Å; T208-R211 PolarHBondContact OG1-NH2 3.1Å
212Q96.9Very high97.7Very high131 Ų13143 Ų4361%0.61222%0.216SC*.SBendtrans-154.7169.6-17966.2176.6-3.500114.2M210 V214M210-Q212 VanDerWaalsContact C-N 3.25Å; M210-Q212 PolarHBondContact O-N 3.36Å; Q212-V214 PolarHBondContact O-N 2.87Å
213V98.2Very high97.7Very high60 Ų6045.2 Ų45.236%0.36423%0.225SC..  trans-71.5123.2175.3173.30000111.1Q118 R147 V148 K149Q118-V213 HydrophobicContact CB-CG1 4.27Å; Q118-V213 HydrophobicContact CG-CG1 3.79Å; Q118-V213 HydrophobicContact CG-CG2 3.9Å; R147-V213 HydrophobicContact CB-CG1 3.8Å; R147-V213 HydrophobicContact CG-CG1 4.39Å; V148-V213 CarbonylContact O-C 3.6Å; K149-V213 HydrophobicContact CB-CG2 4.42Å
214V98.4Very high97.7Very high7 Ų744.4 Ų44.44%0.04222%0.221CC..EExtended strand (participates in β ladder)trans-75.4137174-172.80000109.8R147 V148 I150 I161 W209 Q212 F216R147-V214 VanDerWaalsContact CA-O 3.26Å; R147-V214 WeakPolarHBondContact CA-O 3.49Å; V148-V214 HydrophobicContact CG2-CB 4.04Å; V148-V214 PolarHBondContact N-O 3.11Å; V148-V214 PolarHBondContact O-N 3.16Å; I150-V214 HydrophobicContact CD1-CG2 4.04Å; I150-V214 HydrophobicContact CG1-CG2 4.4Å; I161-V214 HydrophobicContact CG2-CG1 4.13Å; W209-V214 HydrophobicContact CE3-CG2 3.71Å; W209-V214 HydrophobicContact CZ3-CG1 4.06Å; W209-V214 HydrophobicContact CZ3-CG2 4.08Å; Q212-V214 PolarHBondContact O-N 2.87Å; V214-F216 HydrophobicContact CG1-CE2 4.27Å; V214-F216 HydrophobicContact CG1-CZ 4.46Å
215S98.1Very high97.6Very high20 Ų2049.3 Ų49.314%0.1424%0.242CC..EExtended strand (participates in β ladder)trans-131.1111.5-168.6-1780000113.1R147 H199 D217R147-S215 PolarHBondContact NE-OG 2.96Å; R147-S215 VanDerWaalsContact NE-OG 3.14Å; H199-S215 PolarHBondContact NE2-O 3.04Å; S215-D217 PolarHBondContact O-N 3.32Å; S215-D217 VanDerWaalsContact O-N 3.17Å; S215-D217 PolarHBondContact OG-OD1 2.94Å
216F98.3Very high97.4Very high1 Ų155.1 Ų55.10%0.00427%0.27CS..  trans-85.930.5177-61.2-89.2000112.5M146 V148 I161 M163 Y197 H199 V214 K218 L219 V244M146-F216 PolarHBondContact O-N 2.81Å; V148-F216 HydrophobicContact CG2-CE2 4.21Å; I161-F216 HydrophobicContact CG2-CZ 3.85Å; M163-F216 HydrophobicContact CB-CD1 3.97Å; M163-F216 HydrophobicContact CB-CE1 3.68Å; M163-F216 HydrophobicContact CB-CZ 4.23Å; M163-F216 HydrophobicContact CE-CB 4.01Å; M163-F216 HydrophobicContact CE-CD1 3.78Å; M163-F216 HydrophobicContact CE-CD2 3.43Å; M163-F216 VanDerWaalsContact CE-CD2 3.43Å; M163-F216 HydrophobicContact CE-CE1 4.03Å; M163-F216 HydrophobicContact CE-CE2 3.69Å; M163-F216 HydrophobicContact CE-CG 3.46Å; M163-F216 VanDerWaalsContact CE-CG 3.46Å; M163-F216 HydrophobicContact CE-CZ 3.97Å; M163-F216 HydrophobicContact SD-CB 4.46Å; M163-F216 HydrophobicContact SD-CD1 4.35Å; M163-F216 HydrophobicContact SD-CG 4.31Å; Y197-F216 AromaticContact CD1-CD1 3.69Å; Y197-F216 HydrophobicContact CD1-CD1 3.69Å; Y197-F216 HydrophobicContact CD1-CE1 4.16Å; Y197-F216 AromaticContact CE1-CD1 3.86Å; Y197-F216 HydrophobicContact CE1-CD1 3.86Å; Y197-F216 HydrophobicContact CE1-CE1 4.49Å; H199-F216 HydrophobicContact CB-CE1 4.4Å; V214-F216 HydrophobicContact CG1-CE2 4.27Å; V214-F216 HydrophobicContact CG1-CZ 4.46Å; F216-K218 VanDerWaalsContact C-N 3.26Å; F216-K218 PolarHBondContact O-N 2.9Å; F216-L219 HydrophobicContact CB-CB 4.42Å; F216-L219 HydrophobicContact CB-CD1 4.41Å; F216-L219 HydrophobicContact CD1-CD1 4.47Å; F216-L219 VanDerWaalsContact O-CB 3.25Å; F216-L219 WeakPolarHBondContact O-CB 3.32Å; F216-L219 PolarHBondContact O-N 3.47Å; F216-V244 HydrophobicContact CE2-CG1 4.5Å; F216-V244 HydrophobicContact CE2-CG2 4.13Å; F216-V244 HydrophobicContact CZ-CG1 4.36Å; F216-V244 HydrophobicContact CZ-CG2 4.43Å
217D96.8Very high97.3Very high51 Ų5155.4 Ų55.427%0.27327%0.271SS..THydrogen-bonded Turntrans-73.9-15.7-176.473.6-78.4000114R141 A145 S215R141-D217 WeakPolarHBondContact CD-O 3.48Å; R141-D217 WeakPolarHBondContact CG-O 3.48Å; R141-D217 VanDerWaalsContact CZ-O 3.3Å; R141-D217 PolarHBondContact NE-O 3.12Å; R141-D217 PolarHBondContact NH1-O 2.86Å; R141-D217 IonicContact NH1-OD2 3.28Å; R141-D217 PolarHBondContact NH1-OD2 2.96Å; A145-D217 HydrophobicContact CB-CB 3.75Å; S215-D217 PolarHBondContact O-N 3.32Å; S215-D217 VanDerWaalsContact O-N 3.17Å; S215-D217 PolarHBondContact OG-OD1 2.94Å
218K96.9Very high97.1Very high107 Ų10758.6 Ų58.647%0.46529%0.288SS..THydrogen-bonded Turntrans-81.1-20.1172.7-66.3169.7-173.7166.40112.5Y197 P200 F216Y197-K218 WeakPolarHBondContact OH-CB 3.43Å; P200-K218 HydrophobicContact CG-CD 4.14Å; F216-K218 VanDerWaalsContact C-N 3.26Å; F216-K218 PolarHBondContact O-N 2.9Å
219L98.2Very high96.9Very high0 Ų062.3 Ų62.30%030%0.302CS..  trans-62.5137-179.7-170.3163000110.7R141 M142 M163 Y197 F216 L221 I232R141-L219 WeakPolarHBondContact CA-O 3.3Å; M142-L219 HydrophobicContact CE-CD1 4.31Å; M142-L219 HydrophobicContact CE-CD2 4.1Å; M142-L219 HydrophobicContact CG-CD2 4.38Å; M142-L219 HydrophobicContact SD-CD2 4.33Å; M163-L219 HydrophobicContact CB-CD1 4.25Å; M163-L219 HydrophobicContact CG-CD1 4.02Å; M163-L219 HydrophobicContact SD-CD1 3.41Å; M163-L219 WeakPolarHBondContact SD-CD1 3.38Å; Y197-L219 HydrophobicContact CD1-CB 4.23Å; Y197-L219 HydrophobicContact CD1-CD1 3.86Å; Y197-L219 HydrophobicContact CD1-CG 4.24Å; Y197-L219 HydrophobicContact CD2-CB 4.14Å; Y197-L219 HydrophobicContact CD2-CD1 4.4Å; Y197-L219 HydrophobicContact CD2-CG 4Å; Y197-L219 HydrophobicContact CE1-CB 4.3Å; Y197-L219 HydrophobicContact CE2-CB 4.24Å; Y197-L219 HydrophobicContact CG-CB 4.15Å; Y197-L219 HydrophobicContact CG-CD1 3.71Å; Y197-L219 HydrophobicContact CG-CG 3.81Å; F216-L219 HydrophobicContact CB-CB 4.42Å; F216-L219 HydrophobicContact CB-CD1 4.41Å; F216-L219 HydrophobicContact CD1-CD1 4.47Å; F216-L219 VanDerWaalsContact O-CB 3.25Å; F216-L219 WeakPolarHBondContact O-CB 3.32Å; F216-L219 PolarHBondContact O-N 3.47Å; L219-L221 HydrophobicContact CD2-CD2 3.65Å; L219-L221 HydrophobicContact CD2-CG 4.5Å; L219-I232 HydrophobicContact CD1-CD1 4.03Å; L219-I232 HydrophobicContact CD2-CD1 4.1Å; L219-I232 HydrophobicContact CD2-CG1 4.46Å; L219-I232 HydrophobicContact CG-CD1 4.26Å
220K98.3Very high96.6Very high68 Ų6864 Ų6430%0.29632%0.323SS..EExtended strand (participates in β ladder)trans-124.7145.8177.7-75.2168159.6-163.60112.1A138 G139 R140 R141 H231 I232A138-K220 PolarHBondContact O-NZ 3Å; G139-K220 WeakPolarHBondContact O-CE 3.49Å; R140-K220 CarbonylContact O-C 3.57Å; R140-K220 VanDerWaalsContact O-CA 3.31Å; R140-K220 WeakPolarHBondContact O-CA 3.47Å; R141-K220 HydrophobicContact CG-CG 4.13Å; K220-H231 HydrophobicContact CB-CB 4.38Å; K220-H231 WeakPolarHBondContact CD-CD2 3.36Å; K220-H231 WeakPolarHBondContact CD-NE2 3.46Å; K220-H231 PolarHBondContact NZ-CE1 2.91Å; K220-H231 PolarHBondContact NZ-NE2 2.99Å; K220-I232 PolarHBondContact O-N 3.12Å; K220-I232 VanDerWaalsContact O-N 3.07Å
221L98.6Very high96.5Very high0 Ų062.6 Ų62.60%032%0.316CS..EExtended strand (participates in β ladder)trans-105.7133.3173.5-48.9-177.9000110.3M133 I135 G139 R140 M142 I165 L219 I232 L234 F277M133-L221 HydrophobicContact CB-CD1 4Å; M133-L221 HydrophobicContact CG-CD1 4.48Å; I135-L221 HydrophobicContact CG2-CB 3.76Å; I135-L221 HydrophobicContact CG2-CD1 4.39Å; G139-L221 CarbonylContact C-O 3.42Å; G139-L221 WeakPolarHBondContact CA-O 3.37Å; R140-L221 PolarHBondContact N-O 3.37Å; R140-L221 PolarHBondContact O-N 3.01Å; M142-L221 HydrophobicContact CG-CD1 3.84Å; M142-L221 HydrophobicContact CG-CD2 4.28Å; M142-L221 HydrophobicContact CG-CG 3.95Å; M142-L221 HydrophobicContact SD-CD1 4.24Å; M142-L221 HydrophobicContact SD-CD2 4.29Å; I165-L221 HydrophobicContact CD1-CD2 3.5Å; I165-L221 VanDerWaalsContact CD1-CD2 3.5Å; L219-L221 HydrophobicContact CD2-CD2 3.65Å; L219-L221 HydrophobicContact CD2-CG 4.5Å; L221-I232 CarbonylContact C-O 3.55Å; L221-I232 WeakPolarHBondContact CA-O 3.49Å; L221-I232 HydrophobicContact CD2-CB 4.23Å; L221-L234 HydrophobicContact CB-CD1 4.36Å; L221-L234 HydrophobicContact CD1-CD1 4.01Å; L221-L234 HydrophobicContact CD2-CD1 3.93Å; L221-L234 HydrophobicContact CG-CD1 4.32Å; L221-F277 HydrophobicContact CD1-CE2 4.03Å; L221-F277 HydrophobicContact CD1-CZ 3.71Å
222T98.4Very high96.5Very high0 Ų055.4 Ų55.40%029%0.289CS..EExtended strand (participates in β ladder)trans-126.7155.1-179.5-170.30000111.9T136 K137 N224 D227 H231 I232 I233 L234T136-T222 WeakPolarHBondContact O-CA 3.22Å; T136-T222 PolarHBondContact O-OG1 3.16Å; T136-T222 VanDerWaalsContact O-OG1 3.06Å; K137-T222 PolarHBondContact O-OG1 2.81Å; T222-N224 WeakPolarHBondContact OG1-CB 3.5Å; T222-N224 PolarHBondContact OG1-N 2.96Å; T222-D227 HydrophobicContact CG2-CB 3.85Å; T222-H231 HydrophobicContact CG2-CB 3.79Å; T222-I232 PolarHBondContact N-O 2.83Å; T222-I233 HydrophobicContact CG2-CB 4.29Å; T222-I233 HydrophobicContact CG2-CG1 3.8Å; T222-I233 WeakPolarHBondContact O-CA 3.36Å; T222-L234 PolarHBondContact O-N 3.24Å
223N97.3Very high96.6Very high72 Ų7249.4 Ų49.439%0.38526%0.261SS..  trans-105.112169.578.6-77.9000112.3I135 T136 K137I135-N223 HydrophobicContact CB-CB 4.47Å; I135-N223 HydrophobicContact CD1-CB 3.63Å; I135-N223 HydrophobicContact CG1-CB 3.94Å; T136-N223 WeakPolarHBondContact CA-OD1 3.03Å; K137-N223 PolarHBondContact N-OD1 3.35Å
224N96.6Very high96.6Very high37 Ų3746.7 Ų46.720%0.19824%0.244CC..  trans-92.7107.2177.3-177.230.9000109.6K137 T222 L226 D227 I233K137-N224 HydrophobicContact CG-CB 4.15Å; T222-N224 WeakPolarHBondContact OG1-CB 3.5Å; T222-N224 PolarHBondContact OG1-N 2.96Å; N224-L226 VanDerWaalsContact ND2-C 3.29Å; N224-L226 PolarHBondContact ND2-O 3.24Å; N224-L226 VanDerWaalsContact ND2-O 3.1Å; N224-L226 PolarHBondContact O-N 3.18Å; N224-L226 PolarHBondContact OD1-N 3.21Å; N224-D227 HydrophobicContact CB-CB 4.22Å; N224-D227 WeakPolarHBondContact ND2-CA 3.09Å; N224-D227 PolarHBondContact ND2-N 2.91Å; N224-D227 VanDerWaalsContact O-CB 3.31Å; N224-D227 WeakPolarHBondContact O-CB 3.41Å; N224-D227 PolarHBondContact O-N 3.08Å; N224-I233 WeakPolarHBondContact O-CG1 3.24Å
225E94.5Very high96.6Very high117 Ų11747.5 Ų47.555%0.54725%0.248SC..THydrogen-bonded Turntrans-61.4-26.7176.2-66.9174-166.300112.6I233 H235E225-I233 HydrophobicContact CG-CG2 4.44Å; E225-I233 VanDerWaalsContact O-CD1 3.31Å; E225-I233 WeakPolarHBondContact O-CD1 3.45Å; E225-H235 IonicContact OE1-CE1 2.69Å; E225-H235 PolarHBondContact OE1-CE1 3.09Å
226L93.4Very high96.6Very high153 Ų15348 Ų4880%0.80125%0.251SS*.THydrogen-bonded Turntrans-101.341.3179.1-53.1179.3000111.5N224N224-L226 VanDerWaalsContact ND2-C 3.29Å; N224-L226 PolarHBondContact ND2-O 3.24Å; N224-L226 VanDerWaalsContact ND2-O 3.1Å; N224-L226 PolarHBondContact O-N 3.18Å; N224-L226 PolarHBondContact OD1-N 3.21Å
227D94.8Very high96.5Very high6 Ų649.5 Ų49.53%0.03226%0.258CS..  trans-79.1115.2178.5-178.596.5000111.6R195 T222 N224 Q229 G230 H231 I233R195-D227 VanDerWaalsContact CZ-O 3.26Å; R195-D227 PolarHBondContact NH1-O 2.85Å; R195-D227 IonicContact NH1-OD2 3.08Å; R195-D227 PolarHBondContact NH1-OD2 3.35Å; R195-D227 PolarHBondContact NH2-O 3.32Å; T222-D227 HydrophobicContact CG2-CB 3.85Å; N224-D227 HydrophobicContact CB-CB 4.22Å; N224-D227 WeakPolarHBondContact ND2-CA 3.09Å; N224-D227 PolarHBondContact ND2-N 2.91Å; N224-D227 VanDerWaalsContact O-CB 3.31Å; N224-D227 WeakPolarHBondContact O-CB 3.41Å; N224-D227 PolarHBondContact O-N 3.08Å; D227-Q229 PolarHBondContact OD2-N 3.23Å; D227-G230 PolarHBondContact OD2-N 2.87Å; D227-H231 IonicContact OD1-CE1 3.82Å; D227-H231 IonicContact OD1-CG 2.78Å; D227-H231 IonicContact OD1-ND1 3.47Å; D227-H231 PolarHBondContact OD1-ND1 3.21Å; D227-H231 WeakPolarHBondContact OD2-CB 3.47Å; D227-H231 IonicContact OD2-CG 3.34Å; D227-H231 PolarHBondContact OD2-N 3.25Å; D227-H231 IonicContact OD2-ND1 3.95Å; D227-I233 HydrophobicContact CB-CD1 4.49Å; D227-I233 HydrophobicContact CB-CG1 4.29Å
228D93.6Very high96.6Very high134 Ų13447.4 Ų47.472%0.71725%0.247SC*.SBendtrans-85.4-15.5178.864.1-24.2000113.5G230D228-G230 VanDerWaalsContact C-N 3.27Å; D228-G230 PolarHBondContact O-N 3.06Å
229Q93.3Very high96.7Very high126 Ų12645.1 Ų45.159%0.58924%0.237SC*.SBendtrans-80.30.4-173.8-55.6-58.3-67.200114.6D227 H231D227-Q229 PolarHBondContact OD2-N 3.23Å; Q229-H231 VanDerWaalsContact C-N 3.29Å; Q229-H231 WeakPolarHBondContact CB-CE1 3.35Å; Q229-H231 PolarHBondContact O-N 3.05Å
230G92.3Very high96.7Very high45 Ų4545.6 Ų45.646%0.46424%0.239SC..  trans69.920.5-176.800000114.4D227 D228D227-G230 PolarHBondContact OD2-N 2.87Å; D228-G230 VanDerWaalsContact C-N 3.27Å; D228-G230 PolarHBondContact O-N 3.06Å
231H97Very high96.7Very high23 Ų2343.6 Ų43.611%0.10623%0.231CC..PPolyproline II helixtrans-68.6152.2170.8-53.4134.4000110.2A138 R195 K220 T222 D227 Q229 I233A138-H231 PolarHBondContact O-CE1 3.18Å; R195-H231 WeakPolarHBondContact CD-O 3.45Å; R195-H231 PolarHBondContact NH1-O 2.88Å; K220-H231 HydrophobicContact CB-CB 4.38Å; K220-H231 WeakPolarHBondContact CD-CD2 3.36Å; K220-H231 WeakPolarHBondContact CD-NE2 3.46Å; K220-H231 PolarHBondContact NZ-CE1 2.91Å; K220-H231 PolarHBondContact NZ-NE2 2.99Å; T222-H231 HydrophobicContact CG2-CB 3.79Å; D227-H231 IonicContact OD1-CE1 3.82Å; D227-H231 IonicContact OD1-CG 2.78Å; D227-H231 IonicContact OD1-ND1 3.47Å; D227-H231 PolarHBondContact OD1-ND1 3.21Å; D227-H231 WeakPolarHBondContact OD2-CB 3.47Å; D227-H231 IonicContact OD2-CG 3.34Å; D227-H231 PolarHBondContact OD2-N 3.25Å; D227-H231 IonicContact OD2-ND1 3.95Å; Q229-H231 VanDerWaalsContact C-N 3.29Å; Q229-H231 WeakPolarHBondContact CB-CE1 3.35Å; Q229-H231 PolarHBondContact O-N 3.05Å; H231-I233 PolarHBondContact O-N 3.22Å
232I97.7Very high96.7Very high6 Ų643.6 Ų43.63%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-73.3118.6174.7-57.5-172.4000108.6I165 L219 K220 L221 T222 L234I165-I232 HydrophobicContact CB-CG2 4.32Å; I165-I232 HydrophobicContact CD1-CD1 3.87Å; I165-I232 HydrophobicContact CD1-CG2 4.32Å; I165-I232 HydrophobicContact CG1-CD1 3.95Å; L219-I232 HydrophobicContact CD1-CD1 4.03Å; L219-I232 HydrophobicContact CD2-CD1 4.1Å; L219-I232 HydrophobicContact CD2-CG1 4.46Å; L219-I232 HydrophobicContact CG-CD1 4.26Å; K220-I232 PolarHBondContact O-N 3.12Å; K220-I232 VanDerWaalsContact O-N 3.07Å; L221-I232 CarbonylContact C-O 3.55Å; L221-I232 WeakPolarHBondContact CA-O 3.49Å; L221-I232 HydrophobicContact CD2-CB 4.23Å; T222-I232 PolarHBondContact N-O 2.83Å; I232-L234 HydrophobicContact CG2-CD2 4.04Å; I232-L234 HydrophobicContact CG2-CG 4.21Å
233I97.8Very high96.7Very high4 Ų447.1 Ų47.12%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-79.8132.6176.7-55.5167.4000108V192 R195 T222 N224 E225 D227 H231V192-I233 HydrophobicContact CB-CG2 4.19Å; V192-I233 HydrophobicContact CG1-CG2 3.92Å; R195-I233 VanDerWaalsContact CZ-CD1 3.4Å; T222-I233 HydrophobicContact CG2-CB 4.29Å; T222-I233 HydrophobicContact CG2-CG1 3.8Å; T222-I233 WeakPolarHBondContact O-CA 3.36Å; N224-I233 WeakPolarHBondContact O-CG1 3.24Å; E225-I233 HydrophobicContact CG-CG2 4.44Å; E225-I233 VanDerWaalsContact O-CD1 3.31Å; E225-I233 WeakPolarHBondContact O-CD1 3.45Å; D227-I233 HydrophobicContact CB-CD1 4.49Å; D227-I233 HydrophobicContact CB-CG1 4.29Å; H231-I233 PolarHBondContact O-N 3.22Å
234L98Very high96.7Very high3 Ų343.7 Ų43.72%0.01623%0.225CC..  trans-141148.5172.8-57.1173.2000109.8I135 I165 L221 T222 I232 Y240 F277 T279I135-L234 WeakPolarHBondContact CD1-O 3.46Å; I165-L234 HydrophobicContact CB-CD2 4.27Å; I165-L234 HydrophobicContact CG2-CD1 4.18Å; I165-L234 HydrophobicContact CG2-CD2 3.82Å; L221-L234 HydrophobicContact CB-CD1 4.36Å; L221-L234 HydrophobicContact CD1-CD1 4.01Å; L221-L234 HydrophobicContact CD2-CD1 3.93Å; L221-L234 HydrophobicContact CG-CD1 4.32Å; T222-L234 PolarHBondContact O-N 3.24Å; I232-L234 HydrophobicContact CG2-CD2 4.04Å; I232-L234 HydrophobicContact CG2-CG 4.21Å; L234-Y240 HydrophobicContact CB-CE2 3.93Å; L234-Y240 HydrophobicContact CD1-CD2 4.31Å; L234-Y240 HydrophobicContact CD1-CE2 4.47Å; L234-Y240 HydrophobicContact CD2-CD1 3.7Å; L234-Y240 HydrophobicContact CD2-CD2 4.3Å; L234-Y240 HydrophobicContact CD2-CE1 3.55Å; L234-Y240 HydrophobicContact CD2-CE2 4.13Å; L234-Y240 HydrophobicContact CD2-CG 4.08Å; L234-Y240 HydrophobicContact CG-CE2 4.41Å; L234-F277 HydrophobicContact CD1-CE2 4.05Å; L234-F277 HydrophobicContact CD1-CZ 4.14Å; L234-T279 HydrophobicContact CB-CG2 3.86Å; L234-T279 HydrophobicContact CD1-CG2 3.67Å; L234-T279 HydrophobicContact CG-CG2 4.43Å
235H98.1Very high96.8Very high25 Ų2541.9 Ų41.912%0.11622%0.216CC..  trans-74.6153.1170.3-73-39.7000110.9S190 V192 E225 H238 Y240 T279S190-H235 PolarHBondContact O-CD2 3.17Å; S190-H235 PolarHBondContact O-NE2 3.21Å; V192-H235 WeakPolarHBondContact CG1-NE2 3.42Å; E225-H235 IonicContact OE1-CE1 2.69Å; E225-H235 PolarHBondContact OE1-CE1 3.09Å; H235-H238 WeakPolarHBondContact CB-ND1 3.41Å; H235-Y240 PolarHBondContact N-OH 3.22Å; H235-T279 WeakPolarHBondContact O-CB 3.47Å; H235-T279 PolarHBondContact O-OG1 3.07Å
236S98.1Very high96.9Very high30 Ų3036.3 Ų36.321%0.2119%0.19CC..THydrogen-bonded Turntrans-79151.2173.9-165.80000110.7H238S236-H238 VanDerWaalsContact C-N 3.32Å; S236-H238 PolarHBondContact O-N 3.37Å; S236-H238 PolarHBondContact O-ND1 3.43Å
237M98.1Very high97.1Very high32 Ų3229 Ų2916%0.15815%0.152CC..THydrogen-bonded Turntrans63.331.1177.3-44.7-65.2-8100114.7Y173 W182 T279 V280 Q284Y173-M237 WeakPolarHBondContact CB-O 3.34Å; Y173-M237 PolarHBondContact N-O 3.05Å; Y173-M237 WeakPolarHBondContact O-CB 3.46Å; W182-M237 HydrophobicContact CH2-CE 3.95Å; W182-M237 HydrophobicContact CH2-SD 4.19Å; W182-M237 HydrophobicContact CZ3-CE 3.65Å; W182-M237 HydrophobicContact CZ3-SD 4.3Å; M237-T279 VanDerWaalsContact CA-O 3.29Å; M237-T279 WeakPolarHBondContact CA-O 3.46Å; M237-T279 PolarHBondContact N-O 2.84Å; M237-T279 PolarHBondContact N-OG1 3.04Å; M237-V280 HydrophobicContact SD-CG1 4.07Å; M237-Q284 HydrophobicContact CE-CG 4.41Å
238H98.4Very high97.1Very high8 Ų830.3 Ų30.34%0.03716%0.156CC..  trans-123.2154.9177.9-71.281.1000110.7K171 A188 D189 H235 S236 Y240 T278 T279K171-H238 PolarHBondContact O-CD2 2.83Å; A188-H238 VanDerWaalsContact CA-NE2 3.25Å; A188-H238 WeakPolarHBondContact CA-NE2 3.32Å; A188-H238 WeakPolarHBondContact CB-NE2 3.44Å; D189-H238 PolarHBondContact N-NE2 3.12Å; D189-H238 VanDerWaalsContact N-NE2 3.13Å; D189-H238 IonicContact OD2-CE1 3.59Å; D189-H238 PolarHBondContact OD2-CE1 3.06Å; D189-H238 VanDerWaalsContact OD2-CE1 3.28Å; H235-H238 WeakPolarHBondContact CB-ND1 3.41Å; S236-H238 VanDerWaalsContact C-N 3.32Å; S236-H238 PolarHBondContact O-N 3.37Å; S236-H238 PolarHBondContact O-ND1 3.43Å; H238-Y240 HydrophobicContact CB-CD2 4.37Å; H238-Y240 HydrophobicContact CB-CE2 3.57Å; H238-T278 CarbonylContact O-C 3.47Å; H238-T278 VanDerWaalsContact O-CA 3.32Å; H238-T278 WeakPolarHBondContact O-CA 3.33Å; H238-T279 PolarHBondContact N-OG1 3.18Å; H238-T279 PolarHBondContact O-N 2.85Å; H238-T279 PolarHBondContact O-OG1 3.15Å; H238-T279 VanDerWaalsContact O-OG1 3.08Å
239K98.2Very high97Very high58 Ų5828.7 Ų28.725%0.25214%0.143SC..EExtended strand (participates in β ladder)trans-96.4136.6179.3-72.9179.9-178.5169.50111.6P167 V168 Y173 F277P167-K239 WeakPolarHBondContact CA-O 3.31Å; V168-K239 HydrophobicContact CB-CB 3.93Å; V168-K239 HydrophobicContact CG2-CB 4.2Å; V168-K239 PolarHBondContact N-O 2.92Å; Y173-K239 HydrophobicContact CD2-CD 4.42Å; Y173-K239 HydrophobicContact CD2-CG 4.14Å; Y173-K239 HydrophobicContact CE1-CD 4.39Å; Y173-K239 HydrophobicContact CE2-CB 4.43Å; Y173-K239 HydrophobicContact CE2-CD 3.67Å; Y173-K239 HydrophobicContact CE2-CG 3.79Å; Y173-K239 VanDerWaalsContact CZ-NZ 3.29Å; Y173-K239 WeakPolarHBondContact OH-CE 3.32Å; Y173-K239 PolarHBondContact OH-NZ 2.66Å; K239-F277 WeakPolarHBondContact CA-O 3.39Å
240Y98.6Very high96.8Very high11 Ų1126.5 Ų26.54%0.04314%0.135CC..EExtended strand (participates in β ladder)trans-135.3144.7-177.2-66.7-83.6000112.9I165 V166 P167 L234 H235 H238 V276 F277 T279I165-Y240 HydrophobicContact CG2-CD1 4.02Å; I165-Y240 HydrophobicContact CG2-CG 4Å; V166-Y240 CarbonylContact O-C 3.59Å; V166-Y240 VanDerWaalsContact O-CA 3.29Å; V166-Y240 WeakPolarHBondContact O-CA 3.44Å; P167-Y240 HydrophobicContact CB-CD1 4.3Å; P167-Y240 HydrophobicContact CB-CE1 4.13Å; L234-Y240 HydrophobicContact CB-CE2 3.93Å; L234-Y240 HydrophobicContact CD1-CD2 4.31Å; L234-Y240 HydrophobicContact CD1-CE2 4.47Å; L234-Y240 HydrophobicContact CD2-CD1 3.7Å; L234-Y240 HydrophobicContact CD2-CD2 4.3Å; L234-Y240 HydrophobicContact CD2-CE1 3.55Å; L234-Y240 HydrophobicContact CD2-CE2 4.13Å; L234-Y240 HydrophobicContact CD2-CG 4.08Å; L234-Y240 HydrophobicContact CG-CE2 4.41Å; H235-Y240 PolarHBondContact N-OH 3.22Å; H238-Y240 HydrophobicContact CB-CD2 4.37Å; H238-Y240 HydrophobicContact CB-CE2 3.57Å; Y240-V276 WeakPolarHBondContact O-CA 3.49Å; Y240-F277 HydrophobicContact CD2-CE2 4.5Å; Y240-F277 PolarHBondContact N-O 3.27Å; Y240-F277 PolarHBondContact O-N 2.9Å; Y240-F277 VanDerWaalsContact O-N 3.09Å; Y240-T279 HydrophobicContact CD2-CG2 3.66Å; Y240-T279 HydrophobicContact CE2-CG2 3.67Å
241Q98.3Very high96.5Very high26 Ų2628.2 Ų28.212%0.12113%0.13CC..EExtended strand (participates in β ladder)trans-109.5111.717217465.472.500108.5V166 V168 R243 N271 F272 T275 V276V166-Q241 HydrophobicContact CG2-CB 4.26Å; V166-Q241 WeakPolarHBondContact CG2-O 3.47Å; V166-Q241 PolarHBondContact N-O 2.85Å; V166-Q241 PolarHBondContact O-N 3.09Å; V168-Q241 HydrophobicContact CG2-CB 3.95Å; Q241-R243 HydrophobicContact CG-CG 4.44Å; Q241-N271 HydrophobicContact CG-CB 4.24Å; Q241-F272 PolarHBondContact NE2-O 2.95Å; Q241-F272 VanDerWaalsContact NE2-O 3.09Å; Q241-T275 PolarHBondContact NE2-OG1 3.4Å; Q241-V276 HydrophobicContact CB-CG2 4.39Å
242P98.3Very high95.9Very high0 Ų028.1 Ų28.10%013%0.132CC..EExtended strand (participates in β ladder)trans-64.9144166.3-24.937.9000111.9M146 I165 T275 F277M146-P242 HydrophobicContact CE-CB 3.31Å; M146-P242 HydrophobicContact CE-CG 4.27Å; I165-P242 HydrophobicContact CG1-CB 4.33Å; P242-T275 WeakPolarHBondContact CD-O 3.46Å; P242-F277 HydrophobicContact CG-CD1 4.05Å; P242-F277 HydrophobicContact CG-CE1 3.56Å
243R98.2Very high95.2Very high73 Ų7332.8 Ų32.828%0.27517%0.165SC..EExtended strand (participates in β ladder)trans-131.3139.9176.5-51.9-170.3-62176.83.8110.4M163 D164 V166 Q241 T269 F270 N271M163-R243 VanDerWaalsContact CA-O 3.24Å; M163-R243 WeakPolarHBondContact CA-O 3.08Å; M163-R243 WeakPolarHBondContact CG-O 3.31Å; D164-R243 PolarHBondContact N-O 2.92Å; D164-R243 PolarHBondContact O-N 2.8Å; D164-R243 IonicContact OD1-CZ 3.66Å; D164-R243 IonicContact OD1-NE 3.98Å; D164-R243 PolarHBondContact OD1-NE 2.86Å; D164-R243 IonicContact OD1-NH2 3.72Å; D164-R243 PolarHBondContact OD1-NH2 3Å; D164-R243 IonicContact OD2-CZ 3.33Å; D164-R243 IonicContact OD2-NE 3.91Å; D164-R243 IonicContact OD2-NH2 3.91Å; D164-R243 PolarHBondContact OD2-NH2 2.88Å; V166-R243 HydrophobicContact CG2-CG 4.17Å; Q241-R243 HydrophobicContact CG-CG 4.44Å; R243-T269 HydrophobicContact CB-CG2 4.05Å; R243-F270 CarbonylContact C-O 3.57Å; R243-F270 WeakPolarHBondContact CA-O 3.37Å; R243-N271 HydrophobicContact CG-CB 4.42Å
244V98.3Very high94.5Very high0 Ų036.6 Ų36.60%019%0.185CC..EExtended strand (participates in β ladder)trans-105.3134.2175.2175.50000108.7M146 V148 M163 F216 T269 F270M146-V244 HydrophobicContact CE-CG2 4.28Å; M146-V244 HydrophobicContact SD-CG2 3.43Å; M146-V244 WeakPolarHBondContact SD-CG2 3.4Å; V148-V244 HydrophobicContact CG1-CG2 4.24Å; V148-V244 HydrophobicContact CG2-CG1 4.44Å; M163-V244 HydrophobicContact CE-CG2 3.78Å; F216-V244 HydrophobicContact CE2-CG1 4.5Å; F216-V244 HydrophobicContact CE2-CG2 4.13Å; F216-V244 HydrophobicContact CZ-CG1 4.36Å; F216-V244 HydrophobicContact CZ-CG2 4.43Å; V244-T269 WeakPolarHBondContact O-CA 3.09Å; V244-F270 PolarHBondContact N-O 2.8Å; V244-F270 PolarHBondContact O-N 2.83Å
245H97.6Very high94.1Very high0 Ų037.7 Ų37.70%019%0.191CC..EExtended strand (participates in β ladder)trans-119.6129.6-177.2-48.9-92000110.1I161 A162 D164 I247 V261 K268 T269I161-H245 WeakPolarHBondContact CA-O 3.27Å; A162-H245 HydrophobicContact CB-CB 4.46Å; A162-H245 PolarHBondContact N-O 2.79Å; A162-H245 PolarHBondContact O-N 3.07Å; D164-H245 VanDerWaalsContact CG-NE2 3.32Å; D164-H245 IonicContact OD1-CE1 3.03Å; D164-H245 IonicContact OD1-NE2 3.05Å; D164-H245 PolarHBondContact OD1-NE2 3.48Å; D164-H245 IonicContact OD2-CE1 3.12Å; D164-H245 IonicContact OD2-NE2 3.91Å; H245-I247 HydrophobicContact CB-CD1 4.1Å; H245-I247 HydrophobicContact CB-CG1 4.15Å; H245-V261 HydrophobicContact CB-CG1 4.1Å; H245-K268 WeakPolarHBondContact CA-O 3.23Å; H245-T269 VanDerWaalsContact CE1-CG2 3.46Å; H245-T269 WeakPolarHBondContact CE1-CG2 3.31Å; H245-T269 WeakPolarHBondContact ND1-CG2 3.34Å; H245-T269 PolarHBondContact ND1-OG1 3.42Å
246V97.4Very high93.7Very high0 Ų037.9 Ų37.90%020%0.195CC..EExtended strand (participates in β ladder)trans-104.7112.1170.3179.20000106.8I113 V115 I150 L153 Y159 I161 V267 K268 F270I113-V246 HydrophobicContact CD1-CG1 4.23Å; I113-V246 HydrophobicContact CG2-CG1 4.42Å; I113-V246 HydrophobicContact CG2-CG2 4.39Å; V115-V246 HydrophobicContact CG2-CG2 4.12Å; I150-V246 HydrophobicContact CD1-CG2 4.48Å; L153-V246 HydrophobicContact CD2-CG1 3.67Å; Y159-V246 HydrophobicContact CD1-CG1 3.69Å; Y159-V246 HydrophobicContact CE1-CG1 4.13Å; I161-V246 HydrophobicContact CD1-CB 4.24Å; I161-V246 HydrophobicContact CD1-CG1 4.14Å; I161-V246 HydrophobicContact CD1-CG2 3.85Å; V246-V267 WeakPolarHBondContact O-CA 3.39Å; V246-K268 HydrophobicContact CB-CB 4.47Å; V246-K268 PolarHBondContact N-O 3.09Å; V246-K268 PolarHBondContact O-N 3.43Å; V246-F270 HydrophobicContact CB-CE2 4.35Å; V246-F270 HydrophobicContact CG2-CD2 4.27Å; V246-F270 HydrophobicContact CG2-CE2 3.74Å
247I96.4Very high93.4Very high0 Ų039.8 Ų39.80%021%0.207CC..EExtended strand (participates in β ladder)trans-120.2119.6-170.8-61.2161.7000108.4Y159 Y160 A162 H245 L255 V261 V267Y159-I247 CarbonylContact C-O 3.57Å; Y159-I247 VanDerWaalsContact CA-O 3.27Å; Y159-I247 WeakPolarHBondContact CA-O 3.41Å; Y160-I247 PolarHBondContact N-O 3.26Å; Y160-I247 PolarHBondContact O-N 3.06Å; A162-I247 HydrophobicContact CB-CD1 4.19Å; H245-I247 HydrophobicContact CB-CD1 4.1Å; H245-I247 HydrophobicContact CB-CG1 4.15Å; I247-L255 HydrophobicContact CD1-CD1 3.87Å; I247-L255 HydrophobicContact CD1-CD2 3.85Å; I247-L255 HydrophobicContact CD1-CG 4.43Å; I247-L255 HydrophobicContact CG2-CD2 4.44Å; I247-V261 HydrophobicContact CD1-CG1 3.77Å; I247-V261 HydrophobicContact CG1-CG1 4.39Å; I247-V267 HydrophobicContact CB-CG2 4.45Å; I247-V267 HydrophobicContact CG1-CB 4.48Å; I247-V267 HydrophobicContact CG1-CG1 3.86Å; I247-V267 HydrophobicContact CG1-CG2 4.06Å; I247-V267 HydrophobicContact CG2-CG2 4.15Å
248R94.6Very high93Very high32 Ų3243 Ų4312%0.12123%0.228CC..EExtended strand (participates in β ladder)trans-67.6141.5172.8-107.917073.1156-3.9110.9M110 Q157 Y159 D250 F251 S252 G266M110-R248 HydrophobicContact CE-CB 3.84Å; M110-R248 HydrophobicContact CE-CG 3.56Å; Q157-R248 HydrophobicContact CG-CG 4.01Å; Y159-R248 HydrophobicContact CD1-CG 3.97Å; Y159-R248 HydrophobicContact CE1-CG 3.68Å; R248-D250 WeakPolarHBondContact CB-OD1 3.46Å; R248-D250 IonicContact CZ-OD1 2.77Å; R248-D250 IonicContact CZ-OD2 2.72Å; R248-D250 VanDerWaalsContact CZ-OD2 3.29Å; R248-D250 IonicContact NE-OD1 3.95Å; R248-D250 PolarHBondContact NE-OD1 3.19Å; R248-D250 VanDerWaalsContact NE-OD1 3.12Å; R248-D250 IonicContact NE-OD2 3.29Å; R248-D250 PolarHBondContact NE-OD2 2.74Å; R248-D250 IonicContact NH2-OD1 3.88Å; R248-D250 IonicContact NH2-OD2 2.83Å; R248-D250 PolarHBondContact NH2-OD2 2.73Å; R248-D250 PolarHBondContact O-N 3.46Å; R248-F251 HydrophobicContact CB-CD2 3.99Å; R248-F251 CarbonylContact O-C 3.59Å; R248-F251 PolarHBondContact O-N 3.19Å; R248-S252 PolarHBondContact O-N 2.98Å; R248-G266 PolarHBondContact N-O 3.29Å
249K93.2Very high92.7Very high100 Ų10047.3 Ų47.344%0.43525%0.247SC..G310 helixtrans-52.3-41.6178.2-176.7-167.5-169172.10112.9Q158 L203 F251 S252Q158-K249 HydrophobicContact CB-CB 4.15Å; Q158-K249 HydrophobicContact CB-CD 4.21Å; Q158-K249 WeakPolarHBondContact O-CB 3.34Å; Q158-K249 PolarHBondContact O-N 3.43Å; L203-K249 HydrophobicContact CD1-CB 4.29Å; L203-K249 HydrophobicContact CD2-CB 4.39Å; L203-K249 HydrophobicContact CD2-CD 3.8Å; L203-K249 HydrophobicContact CD2-CG 3.79Å; K249-F251 PolarHBondContact O-N 3.41Å; K249-S252 PolarHBondContact O-N 3.19Å; K249-S252 PolarHBondContact O-OG 2.9Å; K249-S252 VanDerWaalsContact O-OG 3.08Å
250D89.1Confident92.3Very high80 Ų8048.6 Ų48.643%0.42826%0.261SS..G310 helixtrans-66.8-10.6179.742.9-47.8000113.8Q157 R248Q157-D250 PolarHBondContact NE2-OD1 3.2Å; R248-D250 WeakPolarHBondContact CB-OD1 3.46Å; R248-D250 IonicContact CZ-OD1 2.77Å; R248-D250 IonicContact CZ-OD2 2.72Å; R248-D250 VanDerWaalsContact CZ-OD2 3.29Å; R248-D250 IonicContact NE-OD1 3.95Å; R248-D250 PolarHBondContact NE-OD1 3.19Å; R248-D250 VanDerWaalsContact NE-OD1 3.12Å; R248-D250 IonicContact NE-OD2 3.29Å; R248-D250 PolarHBondContact NE-OD2 2.74Å; R248-D250 IonicContact NH2-OD1 3.88Å; R248-D250 IonicContact NH2-OD2 2.83Å; R248-D250 PolarHBondContact NH2-OD2 2.73Å; R248-D250 PolarHBondContact O-N 3.46Å
251F84.8Confident91.9Very high81 Ų8148.6 Ų48.636%0.35526%0.263SS..G310 helixtrans-121.418.7176.3-63.4-97.1000112.7R248 K249R248-F251 HydrophobicContact CB-CD2 3.99Å; R248-F251 CarbonylContact O-C 3.59Å; R248-F251 PolarHBondContact O-N 3.19Å; K249-F251 PolarHBondContact O-N 3.41Å
252S84.5Confident91.4Very high22 Ų2248.7 Ų48.715%0.15427%0.265CS..  trans-97.914.4-177.582.20000114.7Y160 R248 K249 D254 L255Y160-S252 WeakPolarHBondContact CE2-OG 3.29Å; R248-S252 PolarHBondContact O-N 2.98Å; K249-S252 PolarHBondContact O-N 3.19Å; K249-S252 PolarHBondContact O-OG 2.9Å; K249-S252 VanDerWaalsContact O-OG 3.08Å; S252-D254 VanDerWaalsContact C-N 3.28Å; S252-D254 PolarHBondContact O-N 2.85Å; S252-L255 PolarHBondContact O-N 3.07Å
253S82.5Confident90.8Very high103 Ų10357 Ų5772%0.7231%0.308SS*.THydrogen-bonded Turntrans-55-41.8-177.850.10000113.3
254D83.4Confident90.2Very high85 Ų8555.3 Ų55.346%0.45531%0.313SS..THydrogen-bonded Turntrans-1011.1-172.4-70.3-82.4000113.8S252 S256 K259 P262S252-D254 VanDerWaalsContact C-N 3.28Å; S252-D254 PolarHBondContact O-N 2.85Å; D254-S256 PolarHBondContact O-N 3.05Å; D254-S256 VanDerWaalsContact O-N 3.15Å; D254-K259 IonicContact OD1-NZ 2.69Å; D254-P262 HydrophobicContact CB-CG 3.96Å
255L89.3Confident89.4Confident26 Ų2662.2 Ų62.214%0.13635%0.35CS..  trans-69.9107.5178.1177.960.8000110.4Y160 V196 I198 I247 S252 P262Y160-L255 HydrophobicContact CD1-CD2 4.04Å; Y160-L255 HydrophobicContact CD2-CD2 4.35Å; Y160-L255 HydrophobicContact CG-CD2 3.84Å; V196-L255 HydrophobicContact CG1-CD1 4.22Å; I198-L255 HydrophobicContact CD1-CD1 4.24Å; I198-L255 HydrophobicContact CD1-CD2 4.11Å; I198-L255 HydrophobicContact CD1-CG 3.92Å; I198-L255 HydrophobicContact CG1-CD1 4.44Å; I247-L255 HydrophobicContact CD1-CD1 3.87Å; I247-L255 HydrophobicContact CD1-CD2 3.85Å; I247-L255 HydrophobicContact CD1-CG 4.43Å; I247-L255 HydrophobicContact CG2-CD2 4.44Å; S252-L255 PolarHBondContact O-N 3.07Å; L255-P262 HydrophobicContact CB-CG 4.33Å
256S90.8Very high89Confident28 Ų2862.2 Ų62.220%0.19635%0.35CS..  trans-128.5156.2165.890.10000111.5D254 T258 K259D254-S256 PolarHBondContact O-N 3.05Å; D254-S256 VanDerWaalsContact O-N 3.15Å; S256-T258 PolarHBondContact O-N 2.86Å; S256-T258 VanDerWaalsContact O-N 3.08Å; S256-T258 PolarHBondContact OG-N 2.81Å; S256-T258 PolarHBondContact OG-OG1 2.83Å; S256-K259 PolarHBondContact O-N 3.44Å; S256-K259 WeakPolarHBondContact OG-CB 3.22Å; S256-K259 WeakPolarHBondContact OG-CG 3.31Å; S256-K259 PolarHBondContact OG-N 3.38Å
257P90.8Very high88.9Confident70 Ų7063.1 Ų63.146%0.45536%0.356SS..THydrogen-bonded Turntrans-63.7-10175.5-23.134.8000115.2R195 V196 I198R195-P257 WeakPolarHBondContact CA-O 3.24Å; V196-P257 PolarHBondContact N-O 3.37Å; V196-P257 WeakPolarHBondContact O-CA 3.36Å; I198-P257 HydrophobicContact CD1-CG 4.18Å
258T90.9Very high88.8Confident100 Ų10065.5 Ų65.561%0.61337%0.366SS*.THydrogen-bonded Turntrans-1213.9-17152.40000113.9P194 S256P194-T258 CarbonylContact O-C 3.58Å; S256-T258 PolarHBondContact O-N 2.86Å; S256-T258 VanDerWaalsContact O-N 3.08Å; S256-T258 PolarHBondContact OG-N 2.81Å; S256-T258 PolarHBondContact OG-OG1 2.83Å
259K91Very high88.9Confident98 Ų9866.9 Ų66.943%0.42638%0.378SS..SBendtrans-112.3163.3172-75.9178.3173.8-174.90109.3V196 D254 S256V196-K259 VanDerWaalsContact CG2-O 3.23Å; V196-K259 WeakPolarHBondContact CG2-O 3.19Å; D254-K259 IonicContact OD1-NZ 2.69Å; S256-K259 PolarHBondContact O-N 3.44Å; S256-K259 WeakPolarHBondContact OG-CB 3.22Å; S256-K259 WeakPolarHBondContact OG-CG 3.31Å; S256-K259 PolarHBondContact OG-N 3.38Å
260P89.9Confident89.1Confident85 Ų8563.8 Ų63.855%0.55237%0.365SS*.PPolyproline II helixtrans-54.8154.3160.6-21.733.3000111.6P194P194-P260 HydrophobicContact CB-CG 4.09Å; P194-P260 HydrophobicContact CG-CG 3.98Å
261V91Very high89.5Confident12 Ų1264.3 Ų64.37%0.07337%0.367CS..PPolyproline II helixtrans-62.9136.4170.5-174.70000109.6D164 V196 H245 I247 V267D164-V261 HydrophobicContact CB-CG2 4.31Å; V196-V261 HydrophobicContact CB-CG2 4.39Å; V196-V261 HydrophobicContact CG1-CG2 3.91Å; V196-V261 HydrophobicContact CG2-CG2 3.51Å; H245-V261 HydrophobicContact CB-CG1 4.1Å; I247-V261 HydrophobicContact CD1-CG1 3.77Å; I247-V261 HydrophobicContact CG1-CG1 4.39Å; V261-V267 HydrophobicContact CG1-CG1 4.11Å
262P87.6Confident90.1Very high27 Ų2761.8 Ų61.818%0.17536%0.356CS..PPolyproline II helixtrans-56.8152.3175.3-25.835.3000113.1D254 L255 V267D254-P262 HydrophobicContact CB-CG 3.96Å; L255-P262 HydrophobicContact CB-CG 4.33Å; P262-V267 HydrophobicContact CB-CG2 4.42Å; P262-V267 WeakPolarHBondContact O-CG1 3.26Å
263I86Confident90.8Very high176 Ų17664.5 Ų64.590%0.90337%0.374SS*.  trans-119.3128.4177.8-55.2175.6000107.9
264G84.3Confident91.5Very high36 Ų3661.1 Ų61.137%0.37135%0.346SS..SBendtrans161173.9-179.800000111.4G266 V267G264-G266 PolarHBondContact O-N 3.31Å; G264-G266 VanDerWaalsContact O-N 3.07Å; G264-V267 PolarHBondContact O-N 2.91Å
265D83.3Confident92.2Very high145 Ų14557 Ų5778%0.77532%0.324SS*.THydrogen-bonded Turntrans-61.2-25.5-166.7-50.7-35.2000114.3M110 V267M110-D265 WeakPolarHBondContact CG-O 3.29Å; D265-V267 VanDerWaalsContact C-N 3.29Å; D265-V267 PolarHBondContact O-N 3.28Å
266G88.7Confident92.7Very high1 Ų157.2 Ų57.21%0.0133%0.327CS..THydrogen-bonded Turntrans-827.1173.400000115.9M110 R248 G264M110-G266 WeakPolarHBondContact CE-O 3.44Å; R248-G266 PolarHBondContact N-O 3.29Å; G264-G266 PolarHBondContact O-N 3.31Å; G264-G266 VanDerWaalsContact O-N 3.07Å
267V94Very high93.1Very high19 Ų1956 Ų5612%0.11532%0.318CS..EExtended strand (participates in β ladder)trans-126.9107.5-179.7-176.50000111.3V246 I247 V261 P262 G264 D265V246-V267 WeakPolarHBondContact O-CA 3.39Å; I247-V267 HydrophobicContact CB-CG2 4.45Å; I247-V267 HydrophobicContact CG1-CB 4.48Å; I247-V267 HydrophobicContact CG1-CG1 3.86Å; I247-V267 HydrophobicContact CG1-CG2 4.06Å; I247-V267 HydrophobicContact CG2-CG2 4.15Å; V261-V267 HydrophobicContact CG1-CG1 4.11Å; P262-V267 HydrophobicContact CB-CG2 4.42Å; P262-V267 WeakPolarHBondContact O-CG1 3.26Å; G264-V267 PolarHBondContact O-N 2.91Å; D265-V267 VanDerWaalsContact C-N 3.29Å; D265-V267 PolarHBondContact O-N 3.28Å
268K95.2Very high93.4Very high49 Ų4953 Ų5321%0.21330%0.298CS..EExtended strand (participates in β ladder)trans-95.4130.9169.9-113.2-175.4166.4-173.60111M110 E111 I113 H245 V246 F270M110-K268 HydrophobicContact CB-CD 4.41Å; M110-K268 WeakPolarHBondContact O-CD 3.26Å; M110-K268 WeakPolarHBondContact O-CE 3.36Å; M110-K268 PolarHBondContact O-NZ 2.84Å; M110-K268 HydrophobicContact SD-CB 3.97Å; M110-K268 HydrophobicContact SD-CD 4.45Å; M110-K268 HydrophobicContact SD-CG 4.26Å; E111-K268 PolarHBondContact O-NZ 3.18Å; I113-K268 HydrophobicContact CB-CD 3.98Å; I113-K268 HydrophobicContact CD1-CD 4.49Å; I113-K268 PolarHBondContact O-NZ 3.07Å; H245-K268 WeakPolarHBondContact CA-O 3.23Å; V246-K268 HydrophobicContact CB-CB 4.47Å; V246-K268 PolarHBondContact N-O 3.09Å; V246-K268 PolarHBondContact O-N 3.43Å; K268-F270 HydrophobicContact CB-CE2 3.78Å; K268-F270 HydrophobicContact CB-CZ 4.16Å; K268-F270 HydrophobicContact CD-CE2 4.31Å; K268-F270 HydrophobicContact CD-CZ 3.82Å; K268-F270 HydrophobicContact CG-CE2 4.48Å; K268-F270 HydrophobicContact CG-CZ 4.39Å
269T96.8Very high93.8Very high61 Ų6148.3 Ų48.337%0.37427%0.269SS..EExtended strand (participates in β ladder)trans-116.2125.9-179.8-62.60000110.7R243 V244 H245R243-T269 HydrophobicContact CB-CG2 4.05Å; V244-T269 WeakPolarHBondContact O-CA 3.09Å; H245-T269 VanDerWaalsContact CE1-CG2 3.46Å; H245-T269 WeakPolarHBondContact CE1-CG2 3.31Å; H245-T269 WeakPolarHBondContact ND1-CG2 3.34Å; H245-T269 PolarHBondContact ND1-OG1 3.42Å
270F97.6Very high94.2Very high36 Ų3643.6 Ų43.616%0.15825%0.249CC..EExtended strand (participates in β ladder)trans-115140.4-179.1-58.3-93.7000110.1I113 V115 R243 V244 V246 K268I113-F270 HydrophobicContact CG2-CE2 4.4Å; I113-F270 HydrophobicContact CG2-CZ 4.02Å; I113-F270 WeakPolarHBondContact O-CZ 3.5Å; V115-F270 HydrophobicContact CB-CB 4.33Å; V115-F270 HydrophobicContact CB-CD1 3.83Å; V115-F270 HydrophobicContact CB-CD2 4.02Å; V115-F270 HydrophobicContact CB-CE1 4.05Å; V115-F270 HydrophobicContact CB-CE2 4.23Å; V115-F270 HydrophobicContact CB-CG 3.79Å; V115-F270 HydrophobicContact CB-CZ 4.24Å; V115-F270 HydrophobicContact CG2-CD1 4Å; V115-F270 HydrophobicContact CG2-CD2 3.48Å; V115-F270 VanDerWaalsContact CG2-CD2 3.48Å; V115-F270 HydrophobicContact CG2-CE1 3.88Å; V115-F270 HydrophobicContact CG2-CE2 3.34Å; V115-F270 HydrophobicContact CG2-CG 3.8Å; V115-F270 HydrophobicContact CG2-CZ 3.54Å; R243-F270 CarbonylContact C-O 3.57Å; R243-F270 WeakPolarHBondContact CA-O 3.37Å; V244-F270 PolarHBondContact N-O 2.8Å; V244-F270 PolarHBondContact O-N 2.83Å; V246-F270 HydrophobicContact CB-CE2 4.35Å; V246-F270 HydrophobicContact CG2-CD2 4.27Å; V246-F270 HydrophobicContact CG2-CE2 3.74Å; K268-F270 HydrophobicContact CB-CE2 3.78Å; K268-F270 HydrophobicContact CB-CZ 4.16Å; K268-F270 HydrophobicContact CD-CE2 4.31Å; K268-F270 HydrophobicContact CD-CZ 3.82Å; K268-F270 HydrophobicContact CG-CE2 4.48Å; K268-F270 HydrophobicContact CG-CZ 4.39Å
271N96.9Very high94.6Very high90 Ų9043.6 Ų43.648%0.48125%0.247SC..EExtended strand (participates in β ladder)trans-135.5153.417567.489.4000109.7Q241 R243Q241-N271 HydrophobicContact CG-CB 4.24Å; R243-N271 HydrophobicContact CG-CB 4.42Å
272F98.2Very high94.9Very high28 Ų2844 Ų4412%0.12325%0.252CS..  trans-131110.7-176.5-59.6-72.9000108.5V115 L117 V148 Q241 E274 T275V115-F272 HydrophobicContact CG1-CE2 4.45Å; V115-F272 HydrophobicContact CG1-CZ 4.05Å; V115-F272 WeakPolarHBondContact O-CZ 3.42Å; L117-F272 HydrophobicContact CB-CD1 3.78Å; L117-F272 HydrophobicContact CB-CD2 4.15Å; L117-F272 HydrophobicContact CB-CE1 3.81Å; L117-F272 HydrophobicContact CB-CE2 4.18Å; L117-F272 HydrophobicContact CB-CG 3.95Å; L117-F272 HydrophobicContact CB-CZ 4.01Å; L117-F272 HydrophobicContact CD1-CD2 4.21Å; L117-F272 HydrophobicContact CD2-CB 3.99Å; L117-F272 HydrophobicContact CD2-CD1 4.47Å; L117-F272 HydrophobicContact CD2-CG 4.11Å; L117-F272 HydrophobicContact CG-CG 4.42Å; V148-F272 HydrophobicContact CG1-CE2 4.02Å; V148-F272 HydrophobicContact CG1-CZ 4.46Å; Q241-F272 PolarHBondContact NE2-O 2.95Å; Q241-F272 VanDerWaalsContact NE2-O 3.09Å; F272-E274 PolarHBondContact O-N 2.78Å; F272-T275 HydrophobicContact CB-CG2 3.75Å; F272-T275 WeakPolarHBondContact O-CB 3.32Å; F272-T275 PolarHBondContact O-N 2.69Å; F272-T275 PolarHBondContact O-OG1 2.91Å
273P98.1Very high95.4Very high80 Ų8044.9 Ų44.952%0.51925%0.252SS..G310 helixtrans-57.8-32.2-175.4-28.436.5000114.1H127 T275 V276H127-P273 PolarHBondContact CE1-O 2.89Å; H127-P273 PolarHBondContact ND1-O 2.83Å; P273-T275 PolarHBondContact O-N 3.03Å; P273-V276 WeakPolarHBondContact O-CG2 3.38Å; P273-V276 PolarHBondContact O-N 3.34Å
274E98.1Very high96Very high31 Ų3137.5 Ų37.515%0.14521%0.214CC..G310 helixtrans-68.3-12.2175.965.5-94.4-107.300113.8L117 W123 K124 H127 F272L117-E274 HydrophobicContact CD2-CG 3.72Å; W123-E274 HydrophobicContact CB-CB 4.36Å; W123-E274 HydrophobicContact CB-CG 3.82Å; K124-E274 WeakPolarHBondContact CE-OE1 3Å; K124-E274 HydrophobicContact CG-CB 3.91Å; K124-E274 HydrophobicContact CG-CG 4.1Å; K124-E274 IonicContact NZ-OE1 3.99Å; H127-E274 HydrophobicContact CB-CB 4.25Å; F272-E274 PolarHBondContact O-N 2.78Å
275T98.6Very high96.6Very high0 Ų036.3 Ų36.30%020%0.199CC..G310 helixtrans-89.9-4176.967.90000114.2L117 W123 Q241 P242 F272 P273 F277L117-T275 HydrophobicContact CD1-CG2 4.01Å; L117-T275 HydrophobicContact CD2-CG2 3.62Å; L117-T275 HydrophobicContact CG-CG2 4.5Å; W123-T275 HydrophobicContact CD2-CG2 3.84Å; W123-T275 HydrophobicContact CE3-CG2 3.94Å; W123-T275 HydrophobicContact CG-CG2 4.23Å; W123-T275 HydrophobicContact CH2-CG2 4.48Å; W123-T275 HydrophobicContact CZ2-CG2 4.42Å; W123-T275 HydrophobicContact CZ3-CG2 4.25Å; Q241-T275 PolarHBondContact NE2-OG1 3.4Å; P242-T275 WeakPolarHBondContact CD-O 3.46Å; F272-T275 HydrophobicContact CB-CG2 3.75Å; F272-T275 WeakPolarHBondContact O-CB 3.32Å; F272-T275 PolarHBondContact O-N 2.69Å; F272-T275 PolarHBondContact O-OG1 2.91Å; P273-T275 PolarHBondContact O-N 3.03Å; T275-F277 WeakPolarHBondContact O-CD1 3.42Å; T275-F277 PolarHBondContact O-N 2.98Å
276V98.7Very high97.2Very high30 Ų3031.5 Ų31.518%0.18217%0.172CC..  trans-56.2134.5171.81730000110.4T131 V168 Y240 Q241 P273T131-V276 WeakPolarHBondContact CB-O 3.41Å; T131-V276 PolarHBondContact OG1-O 2.95Å; V168-V276 HydrophobicContact CG2-CG1 4.07Å; V168-V276 HydrophobicContact CG2-CG2 4.38Å; Y240-V276 WeakPolarHBondContact O-CA 3.49Å; Q241-V276 HydrophobicContact CB-CG2 4.39Å; P273-V276 WeakPolarHBondContact O-CG2 3.38Å; P273-V276 PolarHBondContact O-N 3.34Å
277F98.8Very high97.7Very high2 Ų236.7 Ų36.71%0.00920%0.196CC..EExtended strand (participates in β ladder)trans-140.6157.8176.463.8-107.5000113.6T131 M133 M142 I165 L221 L234 K239 Y240 P242 T275 T279T131-F277 HydrophobicContact CG2-CB 3.64Å; T131-F277 CarbonylContact O-C 3.51Å; T131-F277 VanDerWaalsContact O-CA 3.24Å; T131-F277 WeakPolarHBondContact O-CA 3.4Å; T131-F277 WeakPolarHBondContact O-CB 3.48Å; M133-F277 HydrophobicContact CB-CD2 3.66Å; M133-F277 HydrophobicContact CB-CE2 3.83Å; M133-F277 HydrophobicContact CB-CG 4.09Å; M133-F277 HydrophobicContact CB-CZ 4.36Å; M133-F277 HydrophobicContact CE-CD1 4.14Å; M133-F277 HydrophobicContact CG-CB 3.85Å; M133-F277 HydrophobicContact CG-CD1 3.63Å; M133-F277 HydrophobicContact CG-CD2 3.52Å; M133-F277 HydrophobicContact CG-CE1 3.94Å; M133-F277 HydrophobicContact CG-CE2 3.87Å; M133-F277 HydrophobicContact CG-CG 3.4Å; M133-F277 HydrophobicContact CG-CZ 4.06Å; M142-F277 HydrophobicContact SD-CE1 4.07Å; M142-F277 HydrophobicContact SD-CZ 4.47Å; I165-F277 HydrophobicContact CD1-CZ 4.26Å; I165-F277 HydrophobicContact CG2-CZ 4.26Å; L221-F277 HydrophobicContact CD1-CE2 4.03Å; L221-F277 HydrophobicContact CD1-CZ 3.71Å; L234-F277 HydrophobicContact CD1-CE2 4.05Å; L234-F277 HydrophobicContact CD1-CZ 4.14Å; K239-F277 WeakPolarHBondContact CA-O 3.39Å; Y240-F277 HydrophobicContact CD2-CE2 4.5Å; Y240-F277 PolarHBondContact N-O 3.27Å; Y240-F277 PolarHBondContact O-N 2.9Å; Y240-F277 VanDerWaalsContact O-N 3.09Å; P242-F277 HydrophobicContact CG-CD1 4.05Å; P242-F277 HydrophobicContact CG-CE1 3.56Å; T275-F277 WeakPolarHBondContact O-CD1 3.42Å; T275-F277 PolarHBondContact O-N 2.98Å; F277-T279 HydrophobicContact CD2-CG2 4.33Å; F277-T279 HydrophobicContact CE2-CG2 3.83Å
278T98.7Very high97.8Very high8 Ų835.8 Ų35.85%0.04919%0.19CC..EExtended strand (participates in β ladder)trans-94.9131.3165.5-49.20000109.5T131 E132 M133 W182 H238T131-T278 PolarHBondContact O-N 3.21Å; E132-T278 CarbonylContact C-O 3.52Å; E132-T278 VanDerWaalsContact CA-O 3.31Å; E132-T278 WeakPolarHBondContact CA-O 3.49Å; M133-T278 PolarHBondContact N-O 3.2Å; W182-T278 HydrophobicContact CE3-CG2 4.4Å; W182-T278 HydrophobicContact CH2-CG2 3.65Å; W182-T278 HydrophobicContact CZ2-CG2 3.95Å; W182-T278 HydrophobicContact CZ3-CG2 3.9Å; H238-T278 CarbonylContact O-C 3.47Å; H238-T278 VanDerWaalsContact O-CA 3.32Å; H238-T278 WeakPolarHBondContact O-CA 3.33Å
279T98.6Very high97.9Very high0 Ų034.1 Ų34.10%018%0.184CC..EExtended strand (participates in β ladder)trans-74.8143171.543.90000111.7I135 L234 H235 M237 H238 Y240 F277I135-T279 HydrophobicContact CG2-CG2 3.88Å; L234-T279 HydrophobicContact CB-CG2 3.86Å; L234-T279 HydrophobicContact CD1-CG2 3.67Å; L234-T279 HydrophobicContact CG-CG2 4.43Å; H235-T279 WeakPolarHBondContact O-CB 3.47Å; H235-T279 PolarHBondContact O-OG1 3.07Å; M237-T279 VanDerWaalsContact CA-O 3.29Å; M237-T279 WeakPolarHBondContact CA-O 3.46Å; M237-T279 PolarHBondContact N-O 2.84Å; M237-T279 PolarHBondContact N-OG1 3.04Å; H238-T279 PolarHBondContact N-OG1 3.18Å; H238-T279 PolarHBondContact O-N 2.85Å; H238-T279 PolarHBondContact O-OG1 3.15Å; H238-T279 VanDerWaalsContact O-OG1 3.08Å; Y240-T279 HydrophobicContact CD2-CG2 3.66Å; Y240-T279 HydrophobicContact CE2-CG2 3.67Å; F277-T279 HydrophobicContact CD2-CG2 4.33Å; F277-T279 HydrophobicContact CE2-CG2 3.83Å
280V98.8Very high97.9Very high0 Ų035.8 Ų35.80%018%0.184CC..EExtended strand (participates in β ladder)trans-146.9153.8176.3-65.20000110.9E132 M133 I134 I135 W182 M237 A282 Y283 Q284E132-V280 HydrophobicContact CB-CG2 4.01Å; E132-V280 HydrophobicContact CG-CG1 4.43Å; M133-V280 PolarHBondContact O-N 3.26Å; I134-V280 CarbonylContact C-O 3.5Å; I134-V280 VanDerWaalsContact CA-O 3.26Å; I134-V280 WeakPolarHBondContact CA-O 3.42Å; I134-V280 HydrophobicContact CD1-CG2 3.99Å; I135-V280 PolarHBondContact N-O 3.28Å; W182-V280 HydrophobicContact CH2-CG1 3.81Å; W182-V280 HydrophobicContact CZ2-CG1 4.19Å; M237-V280 HydrophobicContact SD-CG1 4.07Å; V280-A282 WeakPolarHBondContact CB-O 3.29Å; V280-Y283 HydrophobicContact CG2-CD1 4.26Å; V280-Q284 HydrophobicContact CG1-CG 4.01Å
281T98.3Very high97.9Very high85 Ų8534.9 Ų34.952%0.52118%0.18SC..SBendtrans-85.8-2716946.20000112.4I135I135-T281 HydrophobicContact CG1-CG2 4.39Å
282A98Very high97.9Very high20 Ų2030.9 Ų30.917%0.16516%0.159CC..SBendtrans-144.3146.9171.100000109.4V280 Q284V280-A282 WeakPolarHBondContact CB-O 3.29Å; A282-Q284 PolarHBondContact O-N 3.48Å; A282-Q284 PolarHBondContact O-NE2 3.08Å
283Y98.4Very high97.8Very high45 Ų4530.5 Ų30.518%0.17616%0.157CC..  trans-62.8133.8-176.4-65.9-60.8000112.1E132 I134 V280 I288 T289 K292E132-Y283 HydrophobicContact CB-CD1 3.94Å; E132-Y283 HydrophobicContact CB-CE1 4.24Å; E132-Y283 WeakPolarHBondContact OE2-CA 3.4Å; I134-Y283 HydrophobicContact CD1-CD1 4.06Å; I134-Y283 HydrophobicContact CD1-CD2 4.12Å; I134-Y283 HydrophobicContact CD1-CE1 4.04Å; I134-Y283 HydrophobicContact CD1-CE2 4.1Å; I134-Y283 HydrophobicContact CD1-CG 4.1Å; I134-Y283 HydrophobicContact CG1-CD1 4.17Å; I134-Y283 HydrophobicContact CG1-CD2 4.34Å; I134-Y283 HydrophobicContact CG1-CE1 3.62Å; I134-Y283 HydrophobicContact CG1-CE2 3.82Å; I134-Y283 HydrophobicContact CG1-CG 4.5Å; I134-Y283 VanDerWaalsContact CG1-CZ 3.41Å; V280-Y283 HydrophobicContact CG2-CD1 4.26Å; Y283-I288 HydrophobicContact CD1-CG2 4.07Å; Y283-I288 HydrophobicContact CE1-CG2 4.16Å; Y283-T289 WeakPolarHBondContact CB-OG1 3.4Å; Y283-K292 HydrophobicContact CE1-CD 4.29Å; Y283-K292 HydrophobicContact CE1-CG 4.07Å; Y283-K292 HydrophobicContact CE2-CG 4.21Å; Y283-K292 WeakPolarHBondContact OH-CD 3.37Å; Y283-K292 WeakPolarHBondContact OH-CE 3.31Å
284Q98.3Very high97.8Very high22 Ų2230.7 Ų30.710%0.10315%0.154CC..  trans-94.2-55.3-179.8-52.4-64.6-71.300110.3E132 Y175 Y177 W182 M237 V280 A282 Q286E132-Q284 PolarHBondContact OE2-N 3.34Å; Y175-Q284 HydrophobicContact CD1-CB 3.75Å; Y175-Q284 HydrophobicContact CD2-CB 4.26Å; Y175-Q284 HydrophobicContact CE1-CB 4.46Å; Y175-Q284 HydrophobicContact CG-CB 3.61Å; Y175-Q284 HydrophobicContact CG-CG 4.48Å; Y177-Q284 PolarHBondContact OH-OE1 2.97Å; W182-Q284 HydrophobicContact CH2-CB 4.37Å; W182-Q284 HydrophobicContact CH2-CG 3.81Å; W182-Q284 HydrophobicContact CZ2-CB 4.19Å; W182-Q284 HydrophobicContact CZ2-CG 4.08Å; M237-Q284 HydrophobicContact CE-CG 4.41Å; V280-Q284 HydrophobicContact CG1-CG 4.01Å; A282-Q284 PolarHBondContact O-N 3.48Å; A282-Q284 PolarHBondContact O-NE2 3.08Å; Q284-Q286 PolarHBondContact O-N 3.47Å
285N97.3Very high97.7Very high11 Ų1134.1 Ų34.16%0.05917%0.166CC..  trans-79.4114.7178-174.2-8.7000111.5I129 E132 Y175 Q287 I288 T289I129-N285 VanDerWaalsContact CG2-ND2 3.32Å; I129-N285 WeakPolarHBondContact CG2-ND2 3.32Å; I129-N285 PolarHBondContact O-ND2 2.89Å; E132-N285 VanDerWaalsContact OE1-CB 3.27Å; E132-N285 WeakPolarHBondContact OE1-CB 3.4Å; E132-N285 PolarHBondContact OE1-N 3.15Å; Y175-N285 HydrophobicContact CE2-CB 4.01Å; N285-Q287 PolarHBondContact O-N 3.38Å; N285-Q287 VanDerWaalsContact OD1-CB 3.31Å; N285-Q287 WeakPolarHBondContact OD1-CB 3.41Å; N285-Q287 PolarHBondContact OD1-N 3Å; N285-I288 HydrophobicContact CB-CB 4.49Å; N285-I288 HydrophobicContact CB-CG1 4.02Å; N285-I288 WeakPolarHBondContact O-CA 3.47Å; N285-I288 WeakPolarHBondContact O-CB 3.42Å; N285-I288 PolarHBondContact O-N 2.73Å; N285-T289 PolarHBondContact O-N 3.41Å
286Q96.1Very high97.6Very high44 Ų4435.2 Ų35.221%0.20617%0.172CC..Hα-helixtrans-66.7-17.6179.3-60.7-52.3-36.100114.2L11 Q284 T289 R290L11-Q286 HydrophobicContact CD1-CB 4.37Å; L11-Q286 HydrophobicContact CD1-CG 4.37Å; Q284-Q286 PolarHBondContact O-N 3.47Å; Q286-T289 PolarHBondContact O-N 2.94Å; Q286-T289 PolarHBondContact OE1-OG1 2.9Å; Q286-T289 VanDerWaalsContact OE1-OG1 3.07Å; Q286-R290 WeakPolarHBondContact O-CG 3.41Å; Q286-R290 PolarHBondContact O-N 3.31Å
287Q97.5Very high97.3Very high110 Ų11038 Ų3851%0.51419%0.191SC..Hα-helixtrans-67.8-38.7169.2-62.6178.2-17.600111.2I129 N285 R290 L291I129-Q287 HydrophobicContact CD1-CB 4.49Å; I129-Q287 HydrophobicContact CG2-CB 3.61Å; N285-Q287 PolarHBondContact O-N 3.38Å; N285-Q287 VanDerWaalsContact OD1-CB 3.31Å; N285-Q287 WeakPolarHBondContact OD1-CB 3.41Å; N285-Q287 PolarHBondContact OD1-N 3Å; Q287-R290 PolarHBondContact O-N 3.2Å; Q287-L291 PolarHBondContact O-N 2.92Å
288I97.9Very high97.1Very high0 Ų047 Ų470%023%0.23CC..Hα-helixtrans-63.5-48.5171.1-60-68.1000109.5F126 I129 G130 E132 Y283 N285 R290 L291 K292F126-I288 HydrophobicContact CD1-CD1 3.95Å; F126-I288 HydrophobicContact CD1-CG2 4.4Å; F126-I288 HydrophobicContact CE1-CG2 4.29Å; I129-I288 HydrophobicContact CB-CD1 3.69Å; I129-I288 HydrophobicContact CG2-CD1 3.45Å; I129-I288 VanDerWaalsContact CG2-CD1 3.45Å; I129-I288 HydrophobicContact CG2-CG1 3.75Å; G130-I288 VanDerWaalsContact O-CD1 3.27Å; G130-I288 WeakPolarHBondContact O-CD1 3.32Å; E132-I288 HydrophobicContact CB-CG2 4.1Å; E132-I288 HydrophobicContact CG-CG1 4.28Å; Y283-I288 HydrophobicContact CD1-CG2 4.07Å; Y283-I288 HydrophobicContact CE1-CG2 4.16Å; N285-I288 HydrophobicContact CB-CB 4.49Å; N285-I288 HydrophobicContact CB-CG1 4.02Å; N285-I288 WeakPolarHBondContact O-CA 3.47Å; N285-I288 WeakPolarHBondContact O-CB 3.42Å; N285-I288 PolarHBondContact O-N 2.73Å; I288-R290 VanDerWaalsContact C-N 3.3Å; I288-R290 PolarHBondContact O-N 3.26Å; I288-L291 PolarHBondContact O-N 3.13Å; I288-L291 VanDerWaalsContact O-N 3.1Å; I288-K292 HydrophobicContact CG2-CD 4.28Å; I288-K292 HydrophobicContact CG2-CG 3.81Å; I288-K292 WeakPolarHBondContact O-CG 3.29Å; I288-K292 PolarHBondContact O-N 2.82Å
289T96.9Very high96.8Very high13 Ų1347.2 Ų47.28%0.0823%0.233CC..Hα-helixtrans-50.7-48.5177.2-510000112Y283 N285 Q286 K292 I293Y283-T289 WeakPolarHBondContact CB-OG1 3.4Å; N285-T289 PolarHBondContact O-N 3.41Å; Q286-T289 PolarHBondContact O-N 2.94Å; Q286-T289 PolarHBondContact OE1-OG1 2.9Å; Q286-T289 VanDerWaalsContact OE1-OG1 3.07Å; T289-K292 PolarHBondContact O-N 2.91Å; T289-I293 HydrophobicContact CG2-CD1 4.01Å; T289-I293 VanDerWaalsContact O-CG1 3.3Å; T289-I293 WeakPolarHBondContact O-CG1 3.03Å; T289-I293 PolarHBondContact O-N 2.8Å
290R96.4Very high96.4Very high97 Ų9754.4 Ų54.437%0.36626%0.264SS..Hα-helixtrans-59.5-52.7175.5-71.3173.7176131.1-6.3111.9V9 L11 Q286 Q287 I288 K292 I293 D294V9-R290 PolarHBondContact O-NH2 3.13Å; L11-R290 HydrophobicContact CD2-CG 3.62Å; Q286-R290 WeakPolarHBondContact O-CG 3.41Å; Q286-R290 PolarHBondContact O-N 3.31Å; Q287-R290 PolarHBondContact O-N 3.2Å; I288-R290 VanDerWaalsContact C-N 3.3Å; I288-R290 PolarHBondContact O-N 3.26Å; R290-K292 VanDerWaalsContact C-N 3.31Å; R290-K292 PolarHBondContact O-N 3.27Å; R290-I293 WeakPolarHBondContact O-CA 3.21Å; R290-I293 WeakPolarHBondContact O-CB 3.38Å; R290-I293 PolarHBondContact O-N 3.48Å; R290-D294 PolarHBondContact O-N 3.21Å
291L97.5Very high96Very high17 Ų1757.1 Ų57.19%0.08929%0.292CS..Hα-helixtrans-64.3-33.4-178.3-170.864.5000112.7R125 F126 I129 Q287 I288 R295R125-L291 HydrophobicContact CB-CD2 4.15Å; R125-L291 VanDerWaalsContact O-CD2 3.29Å; R125-L291 WeakPolarHBondContact O-CD2 3.46Å; F126-L291 HydrophobicContact CD1-CD2 3.64Å; F126-L291 HydrophobicContact CD1-CG 4.21Å; F126-L291 HydrophobicContact CD2-CD2 4.12Å; F126-L291 HydrophobicContact CE1-CB 3.8Å; F126-L291 HydrophobicContact CE1-CD2 3.63Å; F126-L291 HydrophobicContact CE1-CG 3.65Å; F126-L291 HydrophobicContact CE2-CD2 4.11Å; F126-L291 HydrophobicContact CE2-CG 4.12Å; F126-L291 HydrophobicContact CG-CD2 3.88Å; F126-L291 HydrophobicContact CZ-CB 4.09Å; F126-L291 HydrophobicContact CZ-CD2 3.87Å; F126-L291 HydrophobicContact CZ-CG 3.6Å; I129-L291 HydrophobicContact CD1-CD2 3.93Å; Q287-L291 PolarHBondContact O-N 2.92Å; I288-L291 PolarHBondContact O-N 3.13Å; I288-L291 VanDerWaalsContact O-N 3.1Å; L291-R295 HydrophobicContact CD1-CG 3.68Å; L291-R295 HydrophobicContact CG-CG 4.27Å; L291-R295 VanDerWaalsContact O-CB 3.3Å; L291-R295 WeakPolarHBondContact O-CB 3.46Å; L291-R295 VanDerWaalsContact O-CG 3.28Å; L291-R295 WeakPolarHBondContact O-CG 3.21Å; L291-R295 PolarHBondContact O-N 2.91Å; L291-R295 VanDerWaalsContact O-N 3.12Å
292K97.7Very high95.6Very high6 Ų655.8 Ų55.83%0.02628%0.279CS..Hα-helixtrans-63.7-46170.5-61.8-73.1-168.4-150.70110.5F126 E132 F143 Y283 I288 T289 R290 N296F126-K292 HydrophobicContact CE1-CD 3.57Å; F126-K292 HydrophobicContact CE1-CG 3.89Å; F126-K292 HydrophobicContact CZ-CD 3.74Å; F126-K292 HydrophobicContact CZ-CG 4.24Å; E132-K292 WeakPolarHBondContact O-CE 3.42Å; E132-K292 PolarHBondContact O-NZ 2.72Å; F143-K292 HydrophobicContact CD1-CD 3.86Å; F143-K292 PolarHBondContact O-NZ 3.44Å; Y283-K292 HydrophobicContact CE1-CD 4.29Å; Y283-K292 HydrophobicContact CE1-CG 4.07Å; Y283-K292 HydrophobicContact CE2-CG 4.21Å; Y283-K292 WeakPolarHBondContact OH-CD 3.37Å; Y283-K292 WeakPolarHBondContact OH-CE 3.31Å; I288-K292 HydrophobicContact CG2-CD 4.28Å; I288-K292 HydrophobicContact CG2-CG 3.81Å; I288-K292 WeakPolarHBondContact O-CG 3.29Å; I288-K292 PolarHBondContact O-N 2.82Å; T289-K292 PolarHBondContact O-N 2.91Å; R290-K292 VanDerWaalsContact C-N 3.31Å; R290-K292 PolarHBondContact O-N 3.27Å; K292-N296 WeakPolarHBondContact O-CB 3.3Å; K292-N296 PolarHBondContact O-N 2.54Å
293I96.3Very high95.2Very high19 Ų1958.6 Ų58.610%0.09729%0.286CS..Hα-helixtrans-60.7-49.9177.9-73.6167.6000111.3A15 T289 R290 R295 F302 R303A15-I293 HydrophobicContact CB-CD1 3.84Å; T289-I293 HydrophobicContact CG2-CD1 4.01Å; T289-I293 VanDerWaalsContact O-CG1 3.3Å; T289-I293 WeakPolarHBondContact O-CG1 3.03Å; T289-I293 PolarHBondContact O-N 2.8Å; R290-I293 WeakPolarHBondContact O-CA 3.21Å; R290-I293 WeakPolarHBondContact O-CB 3.38Å; R290-I293 PolarHBondContact O-N 3.48Å; I293-R295 VanDerWaalsContact C-N 3.34Å; I293-R295 PolarHBondContact O-N 3.18Å; I293-F302 HydrophobicContact CD1-CB 4.03Å; I293-F302 HydrophobicContact CG1-CB 3.96Å; I293-F302 HydrophobicContact CG2-CB 3.98Å; I293-R303 HydrophobicContact CG2-CB 4.25Å; I293-R303 HydrophobicContact CG2-CG 3.62Å; I293-R303 WeakPolarHBondContact O-CG 3.45Å; I293-R303 PolarHBondContact O-NE 2.93Å; I293-R303 PolarHBondContact O-NH2 3.28Å
294D96.2Very high93.9Very high85 Ų8561.7 Ų61.746%0.45531%0.305SS..Hα-helixtrans-67.4-30.8-175.7-68.9-22.6000113.7R290 R303R290-D294 PolarHBondContact O-N 3.21Å; D294-R303 PolarHBondContact O-NE 3.02Å; D294-R303 PolarHBondContact O-NH1 2.86Å; D294-R303 PolarHBondContact O-NH2 3.08Å; D294-R303 VanDerWaalsContact O-NH2 3.09Å
295R96.5Very high91.9Very high102 Ų10265.2 Ų65.239%0.38533%0.332SS..Hα-helixtrans-107.6-29.3-171.9-53.7-57.8176.191.8-3.4113.9L122 F143 L291 I293 P297L122-R295 HydrophobicContact CD1-CB 4Å; L122-R295 HydrophobicContact CD1-CG 3.85Å; F143-R295 HydrophobicContact CE1-CB 4.02Å; F143-R295 VanDerWaalsContact CZ-C 3.44Å; F143-R295 HydrophobicContact CZ-CB 3.99Å; F143-R295 WeakPolarHBondContact CZ-O 3.31Å; L291-R295 HydrophobicContact CD1-CG 3.68Å; L291-R295 HydrophobicContact CG-CG 4.27Å; L291-R295 VanDerWaalsContact O-CB 3.3Å; L291-R295 WeakPolarHBondContact O-CB 3.46Å; L291-R295 VanDerWaalsContact O-CG 3.28Å; L291-R295 WeakPolarHBondContact O-CG 3.21Å; L291-R295 PolarHBondContact O-N 2.91Å; L291-R295 VanDerWaalsContact O-N 3.12Å; I293-R295 VanDerWaalsContact C-N 3.34Å; I293-R295 PolarHBondContact O-N 3.18Å; R295-P297 WeakPolarHBondContact O-CD 3.38Å
296N96Very high89.7Confident23 Ų2367.2 Ų67.212%0.12336%0.355CS..  trans-76.9121.5178.2-170.7-24.2000110.6F143 K292 F298 A299 R303F143-N296 HydrophobicContact CD1-CB 3.88Å; F143-N296 HydrophobicContact CD2-CB 3.9Å; F143-N296 HydrophobicContact CE1-CB 3.8Å; F143-N296 HydrophobicContact CE2-CB 3.83Å; F143-N296 HydrophobicContact CG-CB 3.94Å; F143-N296 VanDerWaalsContact CZ-CA 3.42Å; F143-N296 HydrophobicContact CZ-CB 3.79Å; K292-N296 WeakPolarHBondContact O-CB 3.3Å; K292-N296 PolarHBondContact O-N 2.54Å; N296-F298 VanDerWaalsContact C-N 3.27Å; N296-F298 PolarHBondContact O-N 3.06Å; N296-F298 WeakPolarHBondContact OD1-CB 3.42Å; N296-F298 WeakPolarHBondContact OD1-CD2 3.44Å; N296-F298 PolarHBondContact OD1-N 3.09Å; N296-A299 HydrophobicContact CB-CB 3.99Å; N296-A299 PolarHBondContact O-N 3.37Å; N296-R303 PolarHBondContact O-NH2 2.89Å
297P94.3Very high87.6Confident89 Ų8976.4 Ų76.458%0.57839%0.388SS*.G310 helixtrans-58.4-37.8176.8-24.835.5000112.9R295 A299 K300R295-P297 WeakPolarHBondContact O-CD 3.38Å; P297-A299 PolarHBondContact O-N 2.94Å; P297-K300 VanDerWaalsContact O-CB 3.3Å; P297-K300 WeakPolarHBondContact O-CB 3.38Å; P297-K300 PolarHBondContact O-N 3.2Å; P297-K300 VanDerWaalsContact O-N 3.12Å
298F93.3Very high85.3Confident190 Ų19079 Ų7983%0.83341%0.405SS*.G310 helixtrans-70.6-10.6178.9-56.6-73.6000113.4N296N296-F298 VanDerWaalsContact C-N 3.27Å; N296-F298 PolarHBondContact O-N 3.06Å; N296-F298 WeakPolarHBondContact OD1-CB 3.42Å; N296-F298 WeakPolarHBondContact OD1-CD2 3.44Å; N296-F298 PolarHBondContact OD1-N 3.09Å
299A92.9Very high83.1Confident14 Ų1485.7 Ų85.712%0.11643%0.43CS..G310 helixtrans-99.96.2173.800000113.5N296 P297 G301 F302N296-A299 HydrophobicContact CB-CB 3.99Å; N296-A299 PolarHBondContact O-N 3.37Å; P297-A299 PolarHBondContact O-N 2.94Å; A299-G301 PolarHBondContact O-N 2.85Å; A299-G301 VanDerWaalsContact O-N 3.09Å; A299-F302 PolarHBondContact O-N 2.92Å
300K90Very high81.1Confident150 Ų15089.7 Ų89.765%0.65246%0.455SS*.G310 helixtrans-51.3-37.1-177.3-175.5-179.7177.3-175.70113.4P297 F302 R303P297-K300 VanDerWaalsContact O-CB 3.3Å; P297-K300 WeakPolarHBondContact O-CB 3.38Å; P297-K300 PolarHBondContact O-N 3.2Å; P297-K300 VanDerWaalsContact O-N 3.12Å; K300-F302 PolarHBondContact O-N 3.14Å; K300-R303 WeakPolarHBondContact O-CB 3.46Å; K300-R303 PolarHBondContact O-N 3.21Å
301G90.3Very high79Confident57 Ų5787.6 Ų87.659%0.58846%0.464SS*.G310 helixtrans-71-1.2177.900000116.3A299A299-G301 PolarHBondContact O-N 2.85Å; A299-G301 VanDerWaalsContact O-N 3.09Å
302F88.9Confident77.1Confident57 Ų5793.3 Ų93.325%0.2549%0.493CS..G310 helixtrans-108.4-10.6171.5-64.1-91.3000113.1R14 F18 I293 A299 K300R14-F302 HydrophobicContact CB-CD1 4.32Å; R14-F302 HydrophobicContact CB-CE1 4.42Å; R14-F302 HydrophobicContact CG-CD1 4.21Å; R14-F302 HydrophobicContact CG-CE1 3.85Å; R14-F302 WeakPolarHBondContact O-CE1 3.5Å; F18-F302 HydrophobicContact CD2-CE1 4.47Å; F18-F302 AromaticContact CE2-CE1 3.93Å; F18-F302 HydrophobicContact CE2-CE1 3.93Å; F18-F302 HydrophobicContact CE2-CZ 4.02Å; I293-F302 HydrophobicContact CD1-CB 4.03Å; I293-F302 HydrophobicContact CG1-CB 3.96Å; I293-F302 HydrophobicContact CG2-CB 3.98Å; A299-F302 PolarHBondContact O-N 2.92Å; K300-F302 PolarHBondContact O-N 3.14Å
303R91.3Very high75.1Confident80 Ų8097 Ų9730%0.30251%0.511SS..SBendtrans-65.3141.8168.7-59.2175.7-164.4-1734.1107.5I293 D294 N296 K300 S305I293-R303 HydrophobicContact CG2-CB 4.25Å; I293-R303 HydrophobicContact CG2-CG 3.62Å; I293-R303 WeakPolarHBondContact O-CG 3.45Å; I293-R303 PolarHBondContact O-NE 2.93Å; I293-R303 PolarHBondContact O-NH2 3.28Å; D294-R303 PolarHBondContact O-NE 3.02Å; D294-R303 PolarHBondContact O-NH1 2.86Å; D294-R303 PolarHBondContact O-NH2 3.08Å; D294-R303 VanDerWaalsContact O-NH2 3.09Å; N296-R303 PolarHBondContact O-NH2 2.89Å; K300-R303 WeakPolarHBondContact O-CB 3.46Å; K300-R303 PolarHBondContact O-N 3.21Å; R303-S305 PolarHBondContact O-N 3.06Å; R303-S305 PolarHBondContact O-OG 3.08Å; R303-S305 VanDerWaalsContact O-OG 3.13Å
304D70.5Confident73.1Confident109 Ų10998.5 Ų98.558%0.58353%0.527SS*.  trans-65.183.8-176.3-70.6-60.3000111.6S12 G306S12-D304 WeakPolarHBondContact CB-OD1 3.46Å; D304-G306 PolarHBondContact O-N 3.29Å
305S56.2Low71.6Confident97 Ų9799 Ų9968%0.67853%0.528SS*.  trans-71.295.3177.4-60.90000106.8R303 R307R303-S305 PolarHBondContact O-N 3.06Å; R303-S305 PolarHBondContact O-OG 3.08Å; R303-S305 VanDerWaalsContact O-OG 3.13Å; S305-R307 PolarHBondContact O-N 3.26Å
306G52Low70Confident52 Ų52100.4 Ų100.454%0.53654%0.541SS..  trans-41.7106.7-154.700000114.8D304 N308 R309D304-G306 PolarHBondContact O-N 3.29Å; G306-N308 PolarHBondContact O-N 3.01Å; G306-R309 PolarHBondContact O-N 2.97Å; G306-R309 VanDerWaalsContact O-N 3.14Å
307R51.7Low68.1Low238 Ų238103.9 Ų103.990%0.89856%0.556SS**THydrogen-bonded Turntrans-74.332.4-177.1-154.7-174175.8-173.9-2.4113.7S305S305-R307 PolarHBondContact O-N 3.26Å
308N49.3Very low66.2Low163 Ų163103.3 Ų103.387%0.87255%0.551SS**THydrogen-bonded Turntrans-110.4-10.1167.3-67.8-9.5000111.8G306 T310G306-N308 PolarHBondContact O-N 3.01Å; N308-T310 PolarHBondContact O-N 2.69Å
309R50.8Low64.5Low141 Ų141102.5 Ų102.553%0.53254%0.544SS..SBendtrans-72.7109.1168.4-81-170.8153.2-170.7-8109.9G306 E313 E317G306-R309 PolarHBondContact O-N 2.97Å; G306-R309 VanDerWaalsContact O-N 3.14Å; R309-E313 IonicContact CZ-OE2 3.74Å; R309-E313 IonicContact NE-OE2 3.01Å; R309-E313 PolarHBondContact NE-OE2 3.35Å; R309-E317 IonicContact CZ-OE1 3.66Å; R309-E317 IonicContact CZ-OE2 2.64Å; R309-E317 IonicContact NH1-OE1 3.17Å; R309-E317 PolarHBondContact NH1-OE1 3.25Å; R309-E317 IonicContact NH1-OE2 3.68Å; R309-E317 PolarHBondContact NH1-OE2 3.27Å; R309-E317 IonicContact NH2-OE1 3.34Å; R309-E317 PolarHBondContact NH2-OE1 3.29Å; R309-E317 IonicContact NH2-OE2 3.99Å
310T55.3Low62.9Low97 Ų97105 Ų10560%0.59557%0.565SS**  trans-59.2142.1169.4430000109.6N308 L312 E313N308-T310 PolarHBondContact O-N 2.69Å; T310-L312 PolarHBondContact O-N 2.89Å; T310-E313 PolarHBondContact O-N 2.55Å
311G52.8Low61.2Low53 Ų53106.8 Ų106.855%0.54657%0.573SS.*Hα-helixtrans-58.3-21.3-170.100000115.1I315G311-I315 WeakPolarHBondContact O-CG1 3.39Å; G311-I315 PolarHBondContact O-N 3.37Å
312L56.9Low59.5Low137 Ų137114.3 Ų114.372%0.71758%0.583SS**Hα-helixtrans-61-40.5172.6-83.4163.6000113T310 I315 M316T310-L312 PolarHBondContact O-N 2.89Å; L312-I315 PolarHBondContact O-N 3.22Å; L312-M316 VanDerWaalsContact O-CB 3.26Å; L312-M316 WeakPolarHBondContact O-CB 3.25Å; L312-M316 PolarHBondContact O-N 3.13Å
313E55.7Low57.6Low83 Ų83120.8 Ų120.839%0.38861%0.606SS.*Hα-helixtrans-67.6-39.8-179.2-73.6-164.316700112.3R309 T310 I315 M316 E317R309-E313 IonicContact CZ-OE2 3.74Å; R309-E313 IonicContact NE-OE2 3.01Å; R309-E313 PolarHBondContact NE-OE2 3.35Å; T310-E313 PolarHBondContact O-N 2.55Å; E313-I315 VanDerWaalsContact C-N 3.29Å; E313-I315 PolarHBondContact O-N 3.4Å; E313-M316 PolarHBondContact O-N 2.86Å; E313-E317 WeakPolarHBondContact O-CB 3.46Å; E313-E317 PolarHBondContact O-N 2.88Å
314A55Low55.3Low52 Ų52121.9 Ų121.943%0.4362%0.623SS.*Hα-helixtrans-65.2-35.5177.300000111.9T318A314-T318 WeakPolarHBondContact O-CB 3.48Å; A314-T318 PolarHBondContact O-N 2.8Å; A314-T318 PolarHBondContact O-OG1 2.74Å
315I63.3Low54.2Low96 Ų96122.9 Ų122.949%0.49264%0.636SS.*Hα-helixtrans-69.4-42.8172.4-66.3167.6000110G311 L312 E313 T318 Y319G311-I315 WeakPolarHBondContact O-CG1 3.39Å; G311-I315 PolarHBondContact O-N 3.37Å; L312-I315 PolarHBondContact O-N 3.22Å; E313-I315 VanDerWaalsContact C-N 3.29Å; E313-I315 PolarHBondContact O-N 3.4Å; I315-T318 CarbonylContact O-C 3.58Å; I315-T318 WeakPolarHBondContact O-CA 3.34Å; I315-T318 WeakPolarHBondContact O-CB 3.49Å; I315-T318 PolarHBondContact O-N 3.43Å; I315-T318 VanDerWaalsContact O-N 3.16Å; I315-Y319 HydrophobicContact CG2-CD2 3.75Å; I315-Y319 HydrophobicContact CG2-CE2 3.89Å; I315-Y319 WeakPolarHBondContact O-CD2 3.38Å; I315-Y319 PolarHBondContact O-N 3.41Å
316M62.9Low53.8Low131 Ų131124 Ų12465%0.64564%0.639SS**Hα-helixtrans-69.4-39-178-165.7166.268.600112.9L312 E313 T318 Y319 A320L312-M316 VanDerWaalsContact O-CB 3.26Å; L312-M316 WeakPolarHBondContact O-CB 3.25Å; L312-M316 PolarHBondContact O-N 3.13Å; E313-M316 PolarHBondContact O-N 2.86Å; M316-T318 VanDerWaalsContact C-N 3.31Å; M316-Y319 PolarHBondContact O-N 3.45Å; M316-A320 WeakPolarHBondContact O-CB 3.1Å; M316-A320 PolarHBondContact O-N 3.35Å
317E55.8Low53.6Low95 Ų95132.1 Ų132.144%0.44465%0.653SS.*Hα-helixtrans-61.6-39.7168.3-77.2-177.8157.800111.1R309 E313 A320 F321R309-E317 IonicContact CZ-OE1 3.66Å; R309-E317 IonicContact CZ-OE2 2.64Å; R309-E317 IonicContact NH1-OE1 3.17Å; R309-E317 PolarHBondContact NH1-OE1 3.25Å; R309-E317 IonicContact NH1-OE2 3.68Å; R309-E317 PolarHBondContact NH1-OE2 3.27Å; R309-E317 IonicContact NH2-OE1 3.34Å; R309-E317 PolarHBondContact NH2-OE1 3.29Å; R309-E317 IonicContact NH2-OE2 3.99Å; E313-E317 WeakPolarHBondContact O-CB 3.46Å; E313-E317 PolarHBondContact O-N 2.88Å; E317-A320 PolarHBondContact O-N 3.18Å; E317-F321 WeakPolarHBondContact O-CB 3.48Å; E317-F321 PolarHBondContact O-N 3.28Å
318T56Low53.2Low77 Ų77126.9 Ų126.947%0.47265%0.648SS.*Hα-helixtrans-63.4-45.9174.9-57.20000111.3A314 I315 M316 A320 F321 W322A314-T318 WeakPolarHBondContact O-CB 3.48Å; A314-T318 PolarHBondContact O-N 2.8Å; A314-T318 PolarHBondContact O-OG1 2.74Å; I315-T318 CarbonylContact O-C 3.58Å; I315-T318 WeakPolarHBondContact O-CA 3.34Å; I315-T318 WeakPolarHBondContact O-CB 3.49Å; I315-T318 PolarHBondContact O-N 3.43Å; I315-T318 VanDerWaalsContact O-N 3.16Å; M316-T318 VanDerWaalsContact C-N 3.31Å; T318-A320 VanDerWaalsContact C-N 3.31Å; T318-A320 PolarHBondContact O-N 3.34Å; T318-F321 PolarHBondContact O-N 2.97Å; T318-W322 PolarHBondContact O-N 3.3Å
319Y56.7Low52.9Low174 Ų174125.2 Ų125.268%0.68264%0.638SS**Hα-helixtrans-65.5-30.9175.9-93.3-87.5000113.2I315 M316I315-Y319 HydrophobicContact CG2-CD2 3.75Å; I315-Y319 HydrophobicContact CG2-CE2 3.89Å; I315-Y319 WeakPolarHBondContact O-CD2 3.38Å; I315-Y319 PolarHBondContact O-N 3.41Å; M316-Y319 PolarHBondContact O-N 3.45Å
320A58.6Low52.9Low67 Ų67122.1 Ų122.155%0.55464%0.635SS**Hα-helixtrans-68.6-39.7171.700000111.7M316 E317 T318 W322 R323M316-A320 WeakPolarHBondContact O-CB 3.1Å; M316-A320 PolarHBondContact O-N 3.35Å; E317-A320 PolarHBondContact O-N 3.18Å; T318-A320 VanDerWaalsContact C-N 3.31Å; T318-A320 PolarHBondContact O-N 3.34Å; A320-W322 VanDerWaalsContact C-N 3.25Å; A320-W322 PolarHBondContact O-N 3.29Å; A320-R323 PolarHBondContact O-N 3.4Å
321F55.8Low52.2Low187 Ų187126.5 Ų126.582%0.8265%0.646SS**Hα-helixtrans-66.9-22.4-179.5-142.3-87.5000114E317 T318E317-F321 WeakPolarHBondContact O-CB 3.48Å; E317-F321 PolarHBondContact O-N 3.28Å; T318-F321 PolarHBondContact O-N 2.97Å
322W53.6Low52Low214 Ų214131 Ų13181%0.81165%0.653SS**THydrogen-bonded Turntrans-96.50.7177.4-70.9110000114.6T318 A320T318-W322 PolarHBondContact O-N 3.3Å; A320-W322 VanDerWaalsContact C-N 3.25Å; A320-W322 PolarHBondContact O-N 3.29Å
323R50.1Low51.2Low193 Ų193129 Ų12973%0.72864%0.643SS**SBendtrans-85.7132.4170.5-82.4-168.2173-173.4-0.7110.8A320A320-R323 PolarHBondContact O-N 3.4Å
324P42.3Very low50.5Low103 Ų103133 Ų13367%0.66966%0.659SS**  trans-55.7146.5158.4-21.133000110.1V326P324-V326 PolarHBondContact O-N 3.24Å
325P47.7Very low50.2Low130 Ų130135.7 Ų135.784%0.84467%0.671SS**  trans-68.793.2176.928.4-34.1000109.9R327P325-R327 PolarHBondContact O-N 3.1Å; P325-R327 VanDerWaalsContact O-N 3.17Å
326V48.1Very low49.1Very low121 Ų121136.7 Ų136.773%0.73368%0.681SS**  trans-61.9116.3168.6-173.10000106.9P324 T328P324-V326 PolarHBondContact O-N 3.24Å; V326-T328 PolarHBondContact O-N 3.35Å
327R46.3Very low48.1Very low222 Ų222138.5 Ų138.584%0.83869%0.69SS**  trans-59.1123.4173.4-76.6-173.8169.7111-3.1108.5P325 L329P325-R327 PolarHBondContact O-N 3.1Å; P325-R327 VanDerWaalsContact O-N 3.17Å; R327-L329 PolarHBondContact O-N 2.81Å
328T43.9Very low47.7Very low129 Ų129142.7 Ų142.779%0.79171%0.71SS**  trans-66.498.2166.4-49.80000107.5V326 T330V326-T328 PolarHBondContact O-N 3.35Å; T328-T330 PolarHBondContact O-N 3.46Å; T328-T330 VanDerWaalsContact O-N 3.13Å
329L43.3Very low46.9Very low127 Ų127148.2 Ų148.267%0.66573%0.727SS**  trans-62.4113.3170.7-65.1175.1000107.8R327 D333R327-L329 PolarHBondContact O-N 2.81Å; L329-D333 WeakPolarHBondContact CD2-OD2 3.35Å
330T51.8Low46.1Very low77 Ų77149.1 Ų149.147%0.47274%0.738SS.*  trans-83.1161.8171.952.50000109.4T328 E332 D333T328-T330 PolarHBondContact O-N 3.46Å; T328-T330 VanDerWaalsContact O-N 3.13Å; T330-E332 PolarHBondContact O-N 3.11Å; T330-D333 PolarHBondContact O-N 2.91Å
331F39.8Very low44.9Very low188 Ų188154.4 Ų154.483%0.82575%0.751SS**G310 helixtrans-63.8-13.6-172.8-166.7-103.7000114.1
332E48.4Very low43.7Very low147 Ų147149.5 Ų149.569%0.68775%0.753SS**G310 helixtrans-75.5-29.1-176.5-61.4179129.600113.3T330 F334 T335T330-E332 PolarHBondContact O-N 3.11Å; E332-F334 PolarHBondContact O-N 2.69Å; E332-T335 PolarHBondContact O-N 3.08Å; E332-T335 PolarHBondContact O-OG1 3.11Å
333D40.5Very low42.6Very low95 Ų95142.8 Ų142.851%0.50875%0.751SS.*G310 helixtrans-60.3-19.7-178.6-85.8-32.9000113.6L329 T330 T335L329-D333 WeakPolarHBondContact CD2-OD2 3.35Å; T330-D333 PolarHBondContact O-N 2.91Å; D333-T335 VanDerWaalsContact C-N 3.33Å
334F41.3Very low41.9Very low167 Ų167138.9 Ų138.973%0.73275%0.753SS**G310 helixtrans-76.4-15.2176.3-76.7-81000114.1E332E332-F334 PolarHBondContact O-N 2.69Å
335T47.2Very low41.5Very low110 Ų110140.7 Ų140.768%0.67576%0.762SS**SBendtrans-84.1-24.1-174.564.40000113.6E332 D333 M337E332-T335 PolarHBondContact O-N 3.08Å; E332-T335 PolarHBondContact O-OG1 3.11Å; D333-T335 VanDerWaalsContact C-N 3.33Å; T335-M337 VanDerWaalsContact C-N 3.28Å; T335-M337 PolarHBondContact O-N 2.8Å
336T41.9Very low40.8Very low116 Ų116137.3 Ų137.371%0.71275%0.751SS**THydrogen-bonded Turntrans-81.20.7-168.2-24.10000114.7
337M41.5Very low40.2Very low170 Ų170138.5 Ų138.584%0.83776%0.759SS**THydrogen-bonded Turntrans-91.91.1-177.4-79.2-102.858.700114.8T335T335-M337 VanDerWaalsContact C-N 3.28Å; T335-M337 PolarHBondContact O-N 2.8Å
338Q46.5Very low39.7Very low182 Ų182133.3 Ų133.385%0.8576%0.757SS**SBendtrans-136.252.5-170.4-152.9-175.711.900116.7
339K38.8Very low40.2Very low193 Ų193132.2 Ų132.284%0.83975%0.752SS**  trans-15692.5151.2-138.7172.3-175.6179.10116.3
340Q41.1Very low40Very low194 Ų194132 Ų13291%0.90776%0.756SS**  trans-105.590.4153.5-77.6-171-9.900109.7
341Q32.5Very low39.3Very low177 Ų177134.1 Ų134.183%0.82777%0.769SS**  trans-165.6113.5161.4-149.194.157.500112.3
342G30.9Very low39.1Very low84 Ų84130.1 Ų130.187%0.86676%0.764SS**  trans67157164.300000117.8
343G31.3Very low38.7Very low74 Ų74128.1 Ų128.176%0.76377%0.766SS**  cis165.9120.5-11.200000114.6
344S34Very low38.5Very low110 Ų110130.2 Ų130.277%0.76978%0.783SS**  trans58.6142.8151.4-146.50000121.9
345T34.9Very low38.1Very low142 Ų142125.9 Ų125.987%0.87179%0.785SS**  trans60.9149.7167.758.20000117.8
346G31.7Very low37.8Very low59 Ų59127.3 Ų127.361%0.60879%0.794SS**  cis172.7164.6-8.100000113.3
347T36.8Very low38Very low146 Ų146127.6 Ų127.690%0.89680%0.798SS**  trans58.5123.6159.850.30000121.6
348S36.3Very low37.7Very low113 Ų113124.6 Ų124.679%0.7979%0.793SS**  trans-55.1-177.1153.9-22.70000113
349P54Low37.8Very low106 Ų106121.5 Ų121.569%0.68879%0.789SS**  cis-159.3157.243.246.1-23.2000122.3
350T37.8Very low37.5Very low121 Ų121118 Ų11874%0.74279%0.789SS**  trans63.7158.6133.758.40000126
351T38.1Very low37.2Very low123 Ų123113.7 Ų113.776%0.75579%0.787SS**  trans79.1129.4166.170.10000116.6
352S36.2Very low37.2Very low103 Ų103110.9 Ų110.972%0.7279%0.786SS**  cis77.9124.828.881.70000114.8
353S38.4Very low37.5Very low105 Ų105112.2 Ų112.273%0.73478%0.783SS**  cis-159.1-153.7-5.743.30000107.6
354T37.2Very low37.8Very low139 Ų139117.4 Ų117.485%0.85379%0.787SS**  cis-167155.515.8-27.40000109.5
355G33.9Very low38.1Very low76 Ų76120.2 Ų120.278%0.78479%0.792SS**  trans149.4122.6164.700000116.5
356T40.2Very low38.3Very low140 Ų140121.2 Ų121.286%0.85979%0.791SS**  trans-103.1169168.736.60000109.9
357P46.4Very low38.7Very low123 Ų123123.8 Ų123.880%0.79980%0.8SS**  cis-134.5173.721.642.4-24.9000117.7
358S34.1Very low38.9Very low106 Ų106122.4 Ų122.474%0.74179%0.794SS**  trans-76.3166.1171.9-39.20000112.4
359P49.2Very low38.8Very low117 Ų117122.7 Ų122.776%0.7680%0.795SS**  -142.2161.582.539.3-24.8000116.5
360S32.3Very low37.8Very low119 Ų119123.7 Ų123.783%0.83280%0.803SS**  trans54.791.6149.9-57.30000121.1
361A34.8Very low38.1Very low104 Ų104123.1 Ų123.186%0.8680%0.804SS**  trans-162.1125.9130.100000112.1
362S33.2Very low38.3Very low118 Ų118122.5 Ų122.583%0.82580%0.803SS**  trans-85.6165.116056.50000109.4
363S37.2Very low38.7Very low113 Ų113123 Ų12379%0.7980%0.804SS**  cis-148.8166.111.844.40000111.5
364H36.6Very low38.6Very low183 Ų183123.5 Ų123.585%0.84780%0.802SS**  trans-71.5141.3177.4-78.4-101.8000113.4
365L40.8Very low38.4Very low168 Ų168126.3 Ų126.388%0.8880%0.803SS**  trans-67.2126.4149.5-66.1169.1000108.9
366L40.3Very low38.3Very low163 Ų163131.1 Ų131.185%0.85381%0.805SS**  trans-176.8111.9146.8-104.3168.9000109.7
367S38.1Very low37.8Very low113 Ų113132.8 Ų132.879%0.7981%0.807SS**PPolyproline II helixtrans-83.7123.4178.5-54.40000111.1
368P43Very low37.2Very low118 Ų118131.5 Ų131.577%0.76681%0.808SS**PPolyproline II helixtrans-75.9128169.730.3-32.5000110.7
369S32.4Very low37.4Very low118 Ų118132.2 Ų132.283%0.82581%0.81SS**PPolyproline II helixtrans-88.8119.1172.7-66.20000110.6
370C33.8Very low36.6Very low127 Ų127134.7 Ų134.786%0.85882%0.816SS**  trans-113.1103.5172.1-70.20000111.1
371S44.4Very low36.7Very low109 Ų109135.4 Ų135.476%0.76282%0.816SS**PPolyproline II helixtrans-85.5152.2168.3-63.90000110.9
372P40.9Very low36.5Very low110 Ų110140 Ų14071%0.71482%0.817SS**PPolyproline II helixtrans-73.2149-178.930.3-35.8000112.6
373P46Very low36.3Very low115 Ų115141.8 Ų141.875%0.74782%0.817SS**PPolyproline II helixtrans-72.1137.9177.129.9-34.3000111.5
374T35.3Very low36.2Very low115 Ų115142.3 Ų142.371%0.70682%0.815SS**  trans-111125170.6-64.80000109.3
375F33.9Very low35.8Very low197 Ų197137.1 Ų137.186%0.86481%0.812SS**  trans-79.6125.9175.9-74.1-93.6000110.6
376H30.7Very low35.2Very low178 Ų178135.1 Ų135.182%0.82481%0.81SS**  trans-99.5128.9168.1-78.2-95.5000110.3
377L31.1Very low34.7Very low174 Ų174139.7 Ų139.791%0.91182%0.816SS**  trans-107.4128.3164.9-71.2171.3000108.3
378A33.4Very low34.3Very low97 Ų97142.6 Ų142.680%0.80282%0.817SS**  trans-97.3132.2177.400000110.6
379P37.2Very low33.7Very low121 Ų121142 Ų14279%0.78682%0.816SS**  trans-80.5136.3170.232.8-31.9000110.1
380N34Very low33.7Very low169 Ų169144.7 Ų144.790%0.90482%0.815SS**  trans-113.6131175.9-125.11.8000110.3
381T33Very low33.7Very low133 Ų133146.5 Ų146.582%0.81682%0.815SS**  trans-98.6151.3-176.345.30000112.8
382F31.5Very low33Very low201 Ų201147.7 Ų147.788%0.88282%0.822SS**  trans-53.1139.9172.7-104.7-112.6000113.4
383N29.2Very low32.5Very low156 Ų156149.7 Ų149.783%0.83483%0.827SS**  trans-153.6170.2133.8-145.9-13.3000112
384V33.8Very low31.9Very low123 Ų123152.5 Ų152.575%0.74584%0.835SS**  trans-98.2150.4-160.6178.10000113.6
385G28.5Very low31.6Very low75 Ų75154.1 Ų154.177%0.77384%0.839SS**  trans-177.3103.616500000113.6
386C28.4Very low31.5Very low125 Ų125153.1 Ų153.185%0.84584%0.842SS**  trans-90.2144.2-178-570000113.1
387R30.2Very low31.7Very low259 Ų259149 Ų14998%0.97783%0.833SS**  trans-149.3174143-129.5-175.1-179.6-147.1-3.1111.1
388E30.2Very low31.6Very low175 Ų175147.9 Ų147.982%0.81883%0.828SS**  trans-139.8159.3-139.2-174.1178.6168.900113.4
389S29.9Very low31.6Very low105 Ų105153.1 Ų153.173%0.73483%0.828SS**  trans75.7148.4168.885.70000116
390Q32.7Very low31.8Very low175 Ų175152.5 Ų152.582%0.81882%0.824SS**  cis-135.1147.87.2-71.8179.2-2500113.8
391L32.6Very low32.2Very low165 Ų165150.8 Ų150.886%0.86482%0.822SS**  trans8.3130.8150.8-58.8168.7000121.4
392C31.1Very low32.1Very low133 Ų133150.6 Ų150.690%0.89983%0.825SS**  -167.3155115.7-114.60000112.6
393N30.3Very low32.2Very low153 Ų153145.5 Ų145.582%0.81882%0.82SS**  trans-94.2141179.8-74.6-60.6000112.2
394L32.9Very low32.5Very low174 Ų174149.4 Ų149.491%0.91182%0.823SS**  172.3155.5111.4-91.6168.6000111.8
395N29.4Very low32.6Very low149 Ų149148.3 Ų148.380%0.79782%0.821SS**  trans-80.6140.8176.2-72.6-43.9000112
396L31.6Very low32.9Very low175 Ų175152.5 Ų152.592%0.91683%0.826SS**  -148.5125.9128.6-167.361.5000109.1
397S33.9Very low33.1Very low92 Ų92155.9 Ų155.964%0.64383%0.831SS**  trans-117.2132.8-176.7-58.10000109.7
398D29.9Very low33.3Very low150 Ų150148 Ų14880%0.80282%0.821SS**  trans-151.8132.3151.4-109.7-36.5000113.3
399Y32.3Very low33.4Very low208 Ų208144.5 Ų144.582%0.81682%0.822SS**  trans31.6126.5172.1-79.4-86.8000124.8
400P41.7Very low33.6Very low107 Ų107147.8 Ų147.870%0.69583%0.831SS**  trans-89166.7162.838.1-34.7000113
401P42.2Very low33.5Very low133 Ų133149 Ų14986%0.86484%0.837SS**  trans-77155.8179.832.5-37.1000113.5
402C31.6Very low33.4Very low130 Ų130146.4 Ų146.488%0.87883%0.832SS**  trans-124.8141.5176.763.40000113.1
403A34.5Very low33.7Very low93 Ų93150.9 Ų150.977%0.76983%0.832SS**  trans-151.3123.3169.700000109.5
404R35.7Very low34.3Very low238 Ų238149.4 Ų149.490%0.89883%0.83SS**  trans176.6138.6145.6-103.7165.4176.6-172.6-1.7114.9
405S34.3Very low34.3Very low101 Ų101144.7 Ų144.771%0.70682%0.824SS**  trans36.4121.3131-52.10000122.4
406N34.7Very low34.9Very low163 Ų163146 Ų14687%0.87283%0.83SS**  26.4116.2127.9-69-17.5000119.8
407M33.8Very low35.1Very low196 Ų196142.8 Ų142.897%0.96682%0.822SS**  trans-149.8157.4132.6-112.3-63.4-169.900109
408A34.3Very low35.1Very low92 Ų92145.3 Ų145.376%0.7683%0.828SS**  trans-118133.5-178.500000111.3
409A31.3Very low35.2Very low102 Ų102143 Ų14384%0.84382%0.824SS**  trans-157.7147.5162.400000111.4
410L34.3Very low35.3Very low175 Ų175135.9 Ų135.992%0.91681%0.814SS**  trans-61.5140.9173.3-65146.3000111.7
411Q31.2Very low34.9Very low200 Ų200142.4 Ų142.494%0.93583%0.826SS**  trans-138.7132.8149.1-75.1-160.5-20.600111.6
412S29.7Very low34.6Very low110 Ų110143.5 Ų143.577%0.76983%0.825SS**  trans-91.6158.8169.149.90000110.8
413Y38.9Very low34.6Very low228 Ų228148.8 Ų148.889%0.89483%0.827SS**  trans-53.2150.3173.5-78.5-90.4000113.8
414P42.8Very low34.7Very low121 Ų121151.6 Ų151.679%0.78683%0.828SS**  -123148.8128.635.8-29.9000112.3
415G31.6Very low34.5Very low75 Ų75148.8 Ų148.877%0.77383%0.825SS**  trans-110.1166.5167.300000111.2
416L42.4Very low34.3Very low176 Ų176150 Ų15092%0.92183%0.833SS**  trans-109.8144-173.6-71.3170.5000114.1
417S35.3Very low34.1Very low109 Ų109145.5 Ų145.576%0.76283%0.826SS**  trans-69.6165.7164.146.70000112.9
418D34.8Very low33.9Very low144 Ų144142.9 Ų142.977%0.7782%0.821SS**  cis-174.5176.8-12.1168.356.5000108.4
419S32.2Very low33.8Very low101 Ų101143.2 Ų143.271%0.70682%0.824SS**  trans75.2135.4163.3-72.40000118
420G34.6Very low33.8Very low59 Ų59143.6 Ų143.661%0.60882%0.82SS**  cis127113.6-13.300000115.3
421Y32.2Very low33.7Very low244 Ų244139.8 Ų139.896%0.95781%0.814SS**  trans-154.7160.4164.8-87.8-61.3000113.1
422N35.8Very low33.9Very low157 Ų157137.5 Ų137.584%0.8481%0.814SS**  trans-108.5155.8-167.9-77.6-78.7000114.9
423R32Very low34.4Very low241 Ų241140.4 Ų140.491%0.90982%0.815SS**  trans-155.1156.4143.1-133.7174-157.8-91.5-1.9113.3
424L36.9Very low34.6Very low151 Ų151134.7 Ų134.779%0.79181%0.806SS**  trans-138.2176.5-174.7-81.9168000111.7
425Q30.9Very low34.1Very low179 Ų179133.3 Ų133.384%0.83680%0.799SS**  trans89100162.9-64.8-179.8-35.500120.4
426S31.4Very low34Very low127 Ų127138.3 Ų138.389%0.88880%0.803SS**  24.5135.9115.9-42.30000122.1
427G29.5Very low33.5Very low69 Ų69136 Ų13671%0.71180%0.796SS**  trans154.995.514800000120
428T30.2Very low33.3Very low140 Ų140140.2 Ų140.286%0.85980%0.801SS**  trans43.4129.8142.253.10000124.6
429A31.8Very low33.3Very low100 Ų100141.3 Ų141.383%0.82680%0.803SS**  trans69.5148.7144.300000120.2
430S31.3Very low34.1Very low110 Ų110141.8 Ų141.877%0.76980%0.804SS**  cis-166.8145.6-13.648.90000113.9
431A32.6Very low33.9Very low95 Ų95147.6 Ų147.679%0.78582%0.815SS**  trans61.3118.2146.700000123.3
432T34.7Very low34.1Very low152 Ų152146.1 Ų146.193%0.93381%0.808SS**  -150.8161.6123.2-3.10000112.4
433Q39.5Very low34.1Very low170 Ų170144.8 Ų144.879%0.79481%0.806SS**  trans-87.6172.5-178.1-83.2-91.3-13.200111.7
434P44.7Very low35.2Very low109 Ų109138.6 Ų138.671%0.70880%0.796SS**  cis-139.5162.924.743.3-24.7000120.7
435S30.7Very low35Very low91 Ų91136.5 Ų136.564%0.63679%0.794SS**  trans28.6125.4149.160.30000120.3
436E30.9Very low35.2Very low181 Ų181135.9 Ų135.985%0.84680%0.796SS**  -148.9136.663.5-70.2-160.3109.100116.4
437T30.8Very low35.4Very low126 Ų126138.3 Ų138.377%0.77380%0.797SS**  trans12.1131.5130.4-50.70000119.6
438F30.8Very low35.5Very low199 Ų199140.8 Ų140.887%0.87380%0.804SS**  cis-158.6173.4-6.1-143.6-108000111.2
439M35.8Very low35.6Very low166 Ų166137 Ų13782%0.81879%0.792SS**  trans-99159-176.9-81-77.7176.900114.7
440P48.5Very low35.8Very low111 Ų111139.8 Ų139.872%0.72179%0.792SS**  trans-81.2158.7177.834.1-36.1000113.9
441Q31.1Very low37.1Very low181 Ų181139.4 Ų139.485%0.84679%0.787SS**  trans-141.5172.8177.2-94.7-62.8-4.700114.4
442R36.8Very low37.5Very low214 Ų214141 Ų14181%0.80879%0.787SS**  trans-106.8149.7-160.5-81.5-174.4178-176.41116.8
443T36Very low39Very low129 Ų129139 Ų13979%0.79178%0.776SS**  trans73.7-178.8145.160.10000117.3
444P53.8Low40.2Very low110 Ų110136.3 Ų136.371%0.71477%0.774SS**  -137.1-178.7-96.439.8-19.4000117.2
445S33Very low39.8Very low107 Ų107136.8 Ų136.875%0.74878%0.78SS**  trans121.8123.7147-48.40000119.8
446L34.9Very low40.2Very low166 Ų166140.3 Ų140.387%0.86979%0.79SS**  trans31.6122.5140.5-56.6172.3000123.5
447I35Very low41.6Very low178 Ų178136.7 Ų136.791%0.91378%0.783SS**  -165.7176.4124.1-137.866.7000112.1
448S33.6Very low42Very low121 Ų121136 Ų13685%0.84678%0.783SS**  trans-153.4158.7-171-174.20000116.4
449G31.4Very low42Very low60 Ų60133.4 Ų133.462%0.61978%0.778SS**  trans153.7116.5168.700000113.3
450I34.9Very low42.1Very low159 Ų159130 Ų13082%0.81577%0.771SS**  82.1140.767.9-71.3170000112.1
451P60.5Low41.3Very low102 Ų102131.8 Ų131.866%0.66277%0.767SS**  cis-133.1145.417.324.51.5000119
452T41Very low41.5Very low128 Ų128130.6 Ų130.679%0.78576%0.763SS**  77.5169.3105.274.40000119.9
453P65.3Low41.2Very low111 Ų111126.8 Ų126.872%0.72176%0.755SS**  cis-135.8-157-39.532.8-10.1000113.3
454P65.4Low41Very low113 Ų113124.7 Ų124.773%0.73475%0.751SS**  -133.6165.6-52.835.1-18.2000116.6
455S35.2Very low39.9Very low120 Ų120130.6 Ų130.684%0.83976%0.76SS**  trans156.2176.4130.859.20000114.9
456L39.2Very low39.7Very low164 Ų164129.2 Ų129.286%0.85976%0.763SS**  trans-159.7-176.9-145.4-91.9171000112.3
457P61.6Low39.5Very low105 Ų105125.3 Ų125.368%0.68276%0.763SS**  cis-140.1-178.9-15.233-11000118.1
458S37.6Very low39.5Very low112 Ų112125.9 Ų125.978%0.78376%0.762SS**  trans86.3150.8149.683.50000119.7
459N31.6Very low39.4Very low145 Ų145128.7 Ų128.778%0.77577%0.766SS**  cis-146.3158.710.2-157.8-6.1000114.8
460S37.8Very low39.3Very low94 Ų94128.9 Ų128.966%0.65777%0.768SS**  trans-29.5172.7177.259.60000122.2
461K31.7Very low39Very low149 Ų149127.3 Ų127.365%0.64877%0.772SS**  cis-160.7162.911.8-139.2170.5151.9-70.10109E463K461-E463 WeakPolarHBondContact CE-OE1 3.14Å; K461-E463 WeakPolarHBondContact CG-OE1 3.49Å; K461-E463 IonicContact NZ-OE1 2.73Å; K461-E463 PolarHBondContact NZ-OE1 2.95Å; K461-E463 IonicContact NZ-OE2 2.76Å; K461-E463 PolarHBondContact NZ-OE2 3.09Å
462M34.7Very low37.6Very low155 Ų155132 Ų13276%0.76478%0.782SS**  cis82.7143.515.3-61.118065.100116.8
463E31.2Very low38.1Very low135 Ų135131.4 Ų131.463%0.63178%0.78SS**  cis-117.4-117.715.9-66.370.4-117.100116K461K461-E463 WeakPolarHBondContact CE-OE1 3.14Å; K461-E463 WeakPolarHBondContact CG-OE1 3.49Å; K461-E463 IonicContact NZ-OE1 2.73Å; K461-E463 PolarHBondContact NZ-OE1 2.95Å; K461-E463 IonicContact NZ-OE2 2.76Å; K461-E463 PolarHBondContact NZ-OE2 3.09Å
464A32.3Very low36.4Very low85 Ų85131.7 Ų131.770%0.70278%0.78SS**  trans-163.4-160.7-158.800000115.6
465Y30.7Very low34.9Very low233 Ų233130.4 Ų130.491%0.91477%0.774SS**  trans87146.9174.9-59.8-83.1000119.1
466G28.8Very low34.9Very low78 Ų78133 Ų13380%0.80477%0.772SS**  cis139.1129.3-15.100000115.9
467G29.7Very low34.7Very low84 Ų84133.3 Ų133.387%0.86677%0.767SS**  trans147.1151.2167.900000116.4
468Q36.1Very low33.3Very low191 Ų191134.6 Ų134.689%0.89376%0.764SS**  trans-108152174.1-61.2162.4-94.300110.6
469L30.4Very low33.3Very low180 Ų180138.6 Ų138.694%0.94276%0.763SS**  trans166.8144.3131.5-92.7162.7000113.9
470G29.2Very low33.6Very low64 Ų64136.9 Ų136.966%0.6676%0.758SS**  trans82.5110.6130.700000122.6
471S29.1Very low33.5Very low126 Ų126139.2 Ų139.288%0.88176%0.76SS**  trans80.5146.7134.9-59.80000123.7
472F32Very low33.6Very low201 Ų201139.4 Ų139.488%0.88276%0.764SS**  trans-73.5179.9165.7-66.7-81.5000111.9
473P50.3Low33.6Very low114 Ų114136.1 Ų136.174%0.7476%0.761SS**  cis-145.9-143.820.744.7-21.5000116.1
474T30.8Very low33.6Very low117 Ų117132.8 Ų132.872%0.71876%0.762SS**  trans83.390.3169.5-51.10000114.9
475S33.4Very low33.7Very low87 Ų87137 Ų13761%0.60877%0.773SS**  74.8113.27075.30000114.4
476Q34.3Very low33.8Very low173 Ų173130.1 Ų130.181%0.80877%0.765SS**  64.3110.568.5-79.5-76.44.600114.6
477F34.9Very low33.9Very low171 Ų171131.1 Ų131.175%0.7577%0.765SS**  trans-177147157.2-89.8-43.1000109.7
478Q33.6Very low34Very low133 Ų133132.2 Ų132.262%0.62176%0.76SS**  cis-159.3118.1-6.4-174.1145.320.700114.1
479Y37.6Very low33.7Very low195 Ų195128.1 Ų128.177%0.76575%0.752SS**  trans67.9167.1138.9-80.5-146.5000121.4
480V37.2Very low33.7Very low109 Ų109124.3 Ų124.366%0.66174%0.741SS**  cis179.6165.4-33.589.40000105.6
481M35.2Very low33.7Very low143 Ų143126.7 Ų126.770%0.70475%0.747SS**  cis-129.3-141.613.5-139.3-167.7-58.600110.9
482Q33.4Very low33.8Very low154 Ų154126 Ų12672%0.7274%0.743SS**  cis-148.1156.313.1-172.565.443.600110.4
483A36Very low34.8Very low86 Ų86121.3 Ų121.371%0.71173%0.732SS**  trans-80.5162.7176.200000113.6
484G31.2Very low33.9Very low64 Ų64124 Ų12466%0.6673%0.734SS**  cis144.9166.9-7.600000114.5
485N34.8Very low33.8Very low174 Ų174125.5 Ų125.593%0.9374%0.735SS**  trans63.6159168.5-65.80.4000117.6
486A32.4Very low33.8Very low89 Ų89130.3 Ų130.374%0.73675%0.745SS**  cis-147.9162.310.500000113.9
487A30.9Very low33.4Very low99 Ų99125.4 Ų125.482%0.81874%0.741SS**  trans63.6149.7152.900000119.8
488S31.2Very low33Very low107 Ų107121.1 Ų121.175%0.74875%0.745SS**  cis-163.2165.5-19.949.90000111.1
489S29.1Very low32.8Very low104 Ų104120 Ų12073%0.72775%0.752SS**  trans-28.5154.3159.250.20000117.1
490S30.2Very low32.7Very low101 Ų101118.6 Ų118.671%0.70675%0.752SS**  cis179.5-172.1-6.152.90000109.3
491S29.7Very low32.5Very low113 Ų113119.4 Ų119.479%0.7975%0.75SS**  trans69.3132.8154.740.10000121.1
492S30.7Very low32.4Very low113 Ų113119.4 Ų119.479%0.7975%0.748SS**  trans-89.3-165.2164-21.10000110.4
493P53.5Low32.2Very low102 Ų102119.4 Ų119.466%0.66275%0.749SS**  cis-136.5-172.1-25.127.6-3.6000114.2
494H31.2Very low32Very low170 Ų170120 Ų12079%0.78775%0.747SS**  trans79.6130.1150.5-68.5-52.3000124.8
495M29.7Very low32Very low148 Ų148120.8 Ų120.873%0.72974%0.743SS**  94.4134.9128.8-91.1-174155.900124.9
496F32.3Very low31.9Very low189 Ų189122.1 Ų122.183%0.82974%0.736SS**  trans56.9151.1161.6-66.2-64.8000119.8
497G27Very low31.9Very low69 Ų69125 Ų12571%0.71174%0.739SS**  cis168.9158.2-8.600000114.1
498G26.8Very low31.8Very low82 Ų82123.4 Ų123.485%0.84573%0.726SS**  trans85.2159.9175.100000115.9
499S29.5Very low31.7Very low109 Ų109127.7 Ų127.776%0.76273%0.731SS**  cis-164.1159-8.658.90000112
500H34Very low31.9Very low165 Ų165127.9 Ų127.976%0.76473%0.733SS**  trans63.9151.2156.9-93.9-129.8000119.8
501M33.4Very low31.9Very low127 Ų127131.7 Ų131.763%0.62674%0.744SS**  cis-163141.3-12.5-152.9-172.4-178.100112
502Q33.9Very low32.1Very low142 Ų142134.1 Ų134.166%0.66474%0.743SS**  trans50.5168.6150.2-80.7-173.45.400120.3
503Q29.7Very low31.9Very low155 Ų155136.3 Ų136.372%0.72475%0.746SS**  cis-150.9152.114.2-142.3162.457.800113.1
504S30.2Very low31.5Very low97 Ų97135.4 Ų135.468%0.67874%0.74SS**  trans3.4164.6139.7-47.90000122.3
505S32.8Very low31.5Very low82 Ų82137.1 Ų137.157%0.57374%0.741SS**  cis-179.8-179.9-15.7-87.70000110.2
506Y31.3Very low31.6Very low201 Ų201137.1 Ų137.179%0.78874%0.744SS**  trans82128.2160.2-55.4-57.2000116.9
507N32.2Very low31.7Very low150 Ų150135.1 Ų135.180%0.80274%0.741SS**  75.3140.762.4-76.7-7.1000113.8
508A29.6Very low32.1Very low65 Ų65143 Ų14354%0.53775%0.751SS.*  cis-171.8-169.4-11.400000110.7
509F29.4Very low32.3Very low197 Ų197142.2 Ų142.286%0.86474%0.743SS**  trans86.390159.5-55.4-69.4000121.9
510S33.5Very low32.5Very low108 Ų108148 Ų14876%0.75575%0.75SS**  30.4131.2113.4-162.10000121.9
511L30.3Very low32.4Very low181 Ų181147.7 Ų147.795%0.94875%0.754SS**  trans-144.3157.4144.7-98.1176.4000109.9
512H33.6Very low32.3Very low165 Ų165150.7 Ų150.776%0.76476%0.764SS**  trans-140.1136.5-169.2-172-73.2000111.3
513N27.3Very low32.6Very low158 Ų158149.9 Ų149.985%0.84577%0.771SS**  trans-158.4155.3162.3-130.613.7000112.7
514P44.5Very low32.9Very low84 Ų84149 Ų14955%0.54578%0.776SS.*  trans-109.5-179.7-164.740.9-35.6000116.8
515Y30.5Very low32.9Very low206 Ų206149.6 Ų149.681%0.80878%0.78SS**  trans71.1104.1167.6-66.8-71.5000120
516N32.5Very low33.2Very low148 Ų148152 Ų15279%0.79179%0.794SS**  178.7122125.1-91.1-47.1000108.5
517L34.9Very low33.4Very low146 Ų146153.9 Ų153.976%0.76480%0.799SS**  63.6112.886.2-93.879.6000116
518Y34.7Very low33.5Very low234 Ų234155.4 Ų155.492%0.91881%0.807SS**  trans31.9117.4156.7-79.9-87.3000121
519G30.9Very low33.5Very low66 Ų66157.2 Ų157.268%0.6882%0.822SS**  trans177.976.1164.100000115.4N521G519-N521 PolarHBondContact O-N 2.65Å
520Y32.6Very low33.6Very low232 Ų232152.8 Ų152.891%0.9182%0.821SS**  trans-75.8111.7170.3-90.6-80.9000110.8
521N32.2Very low33.4Very low157 Ų157152.8 Ų152.884%0.8482%0.821SS**PPolyproline II helixtrans-89.7136172.3-81.5-73.3000111.4G519G519-N521 PolarHBondContact O-N 2.65Å
522F32.5Very low34.1Very low191 Ų191149.9 Ų149.984%0.83881%0.813SS**PPolyproline II helixtrans-82.5130.9172.4-74.5-95.6000110.7T524F522-T524 PolarHBondContact O-N 2.76Å
523P39.1Very low34Very low125 Ų125150.6 Ų150.681%0.81282%0.817SS**PPolyproline II helixtrans-73117.6167.429.3-31.9000110.2
524T35.8Very low34.3Very low136 Ų136153.2 Ų153.283%0.83482%0.821SS**PPolyproline II helixtrans-70143.3174.443.70000111.5F522F522-T524 PolarHBondContact O-N 2.76Å
525S31.5Very low33.8Very low110 Ų110156.9 Ų156.977%0.76984%0.835SS**PPolyproline II helixtrans-68141.6-177.9-47.60000112.4
526P39.2Very low33.7Very low131 Ų131153.1 Ų153.185%0.85184%0.839SS**PPolyproline II helixtrans-69135.9176.528.8-34.4000111.2
527R35.7Very low33.7Very low242 Ų242150.7 Ų150.791%0.91384%0.839SS**PPolyproline II helixtrans-89.5154.1166.4-75.9-172.5176.6-176.40.4110.6
528L33Very low33.6Very low182 Ų182149.9 Ų149.995%0.95385%0.846SS**PPolyproline II helixtrans-63.3137.4176.3-61.5164.9000111
529A30.6Very low33.5Very low103 Ų103147.8 Ų147.885%0.85184%0.844SS**PPolyproline II helixtrans-101147.2167.800000110.2
530A31.2Very low33.5Very low103 Ų103149.4 Ų149.485%0.85185%0.845SS**PPolyproline II helixtrans-103.8166.2-17700000112.8
531S28.6Very low33.4Very low109 Ų109143.9 Ų143.976%0.76284%0.836SS**PPolyproline II helixtrans-70.8149.1178.3-176.50000112.5
532P44.7Very low33.5Very low120 Ų120143.2 Ų143.278%0.77983%0.831SS**PPolyproline II helixtrans-71.7166173.830.7-36.8000113.7
533E33Very low33.4Very low179 Ų179141.1 Ų141.184%0.83683%0.828SS**PPolyproline II helixtrans-91.6164.9-166-53.3169114.100114.8
534K33.3Very low32.8Very low213 Ų213140.3 Ų140.393%0.92682%0.824SS**  trans-148149.5141-140.9173.1-175.1179.30111.8
535L32.7Very low32.5Very low161 Ų161139.3 Ų139.384%0.84382%0.823SS**  trans-93.7143.3-160.8-63.2156.1000114.3
536S30.1Very low32.5Very low127 Ų127139.4 Ų139.489%0.88882%0.824SS**  trans-153.1159.9134.8690000109.1
537A32Very low32.7Very low97 Ų97139.6 Ų139.680%0.80283%0.825SS**  trans-136.3145.4-166.900000113.5
538S33.3Very low32.6Very low129 Ų129132.7 Ų132.790%0.90281%0.814SS**  trans-150.8147.1160.1-63.10000110.1
539Q32Very low32.5Very low191 Ų191131.5 Ų131.589%0.89381%0.808SS**  trans-81.7145.5-175.8-52.9165.625.700112.1
540S30.2Very low32.5Very low100 Ų100130.2 Ų130.270%0.69981%0.805SS**  162.5107.4103.4-1680000114.2
541T31.7Very low32.7Very low115 Ų115129.4 Ų129.471%0.70680%0.798SS**  31.7128.5122.93.50000122.9
542L33.7Very low32.8Very low143 Ų143134.6 Ų134.675%0.74981%0.808SS**  trans109.6117.3144.5-61167.9000119.9
543L30.4Very low32.3Very low148 Ų148132.2 Ų132.278%0.77580%0.804SS**  31.2143117.8-52.9-175.9000119.4
544C26.6Very low32.1Very low107 Ų107131.4 Ų131.472%0.72380%0.801SS**  cis-172.3168.9-12.2-124.80000110
545S28.3Very low32Very low115 Ų115130.2 Ų130.280%0.80479%0.791SS**  trans66.9135.1153.3-56.50000121.2
546S31.9Very low32Very low113 Ų113130.2 Ų130.279%0.7979%0.786SS**  trans-73.4171.2160-40.20000111.9
547P44.5Very low32.1Very low134 Ų134134.5 Ų134.587%0.8778%0.784SS**  -139-161.8106.839.8-28000114
548S32.2Very low32.2Very low98 Ų98137.5 Ų137.569%0.68579%0.786SS**  trans-137.6179.6-16264.20000114.8
549N31.8Very low32.8Very low157 Ų157136.8 Ų136.884%0.8478%0.778SS**  trans92.5150.3161.1-57.91.1000119.9
550G30.5Very low32.8Very low76 Ų76134.3 Ų134.378%0.78478%0.777SS**  trans85.3117.8167.400000115.1
551A34.8Very low32.9Very low86 Ų86132.7 Ų132.771%0.71178%0.775SS**  cis90.3121.812.300000117.3
552F32.2Very low33.1Very low218 Ų218136 Ų13696%0.95679%0.785SS**  trans64.1155.9-178-58.4-89.3000115.8
553G33.8Very low33.2Very low69 Ų69136.2 Ų136.271%0.71178%0.782SS**  cis168.9148.8-11.100000114.4
554E29.3Very low33.5Very low163 Ų163137.9 Ų137.976%0.76279%0.786SS**  trans72152.4165-111-168.412200123.2
555R31.1Very low33.9Very low188 Ų188135.6 Ų135.671%0.70978%0.78SS**  trans59.5104.9156.2-68.9-178.9-171.3-100.6-15.8124
556Q32.2Very low34.3Very low160 Ų160137.7 Ų137.775%0.74878%0.779SS**  14.6133.2116.2-62.9172-40.300119.4
557Y31.5Very low34.6Very low218 Ų218139.1 Ų139.186%0.85577%0.773SS**  -165.5153.2104.1-112.2-82.4000111.3
558L35.1Very low34.1Very low159 Ų159139.1 Ų139.183%0.83276%0.763SS**  trans-103.4165.5170.8-80.2168.8000110.4
559P45Very low34.2Very low114 Ų114141.9 Ų141.974%0.7477%0.769SS**  -140.9148.6120.737.7-25.4000116.3
560T32.1Very low34.1Very low140 Ų140139 Ų13986%0.85976%0.761SS**  trans13.4146.6149.355.50000122.4
561G32.7Very low34.8Very low65 Ų65141.6 Ų141.667%0.6776%0.764SS**  cis153.6-165.1-0.900000114.4
562M35.7Very low34.8Very low185 Ų185142.6 Ų142.691%0.91177%0.766SS**  trans73.2151.2173.3-58.9-173.7158.300117.2
563E36.2Very low34.9Very low148 Ų148136.9 Ų136.969%0.69276%0.759SS**  cis-162.8173.4-20-108.8-600.200110.6
564H36Very low34.8Very low183 Ų183141.3 Ų141.385%0.84777%0.766SS**  trans77.4124.2171.8-56.491.4000118
565G34Very low35Very low58 Ų58140.1 Ų140.160%0.59877%0.765SS**  cis165.7148.9-14.600000115.7
566M37.5Very low35.2Very low160 Ų160139.8 Ų139.879%0.78877%0.772SS**  trans67.7141.3155.7-45.1-52.9-89.800118.5
567H37.7Very low35.2Very low142 Ų142141 Ų14166%0.65778%0.778SS**  cis-162140.6-15.1-134.1-147.8000110.8
568M35.3Very low35.2Very low135 Ų135134.9 Ų134.967%0.66577%0.771SS**  52151125.9-61.9-72.7-106.500121.3
569L33Very low35Very low156 Ų156133.3 Ų133.382%0.81777%0.769SS**  cis-141.516633.8-78.2163.6000114.8
570S30.4Very low34.4Very low95 Ų95134.7 Ų134.766%0.66477%0.77SS**  trans-103.3-158.1170.6-42.80000110.6
571P46.1Very low34.6Very low131 Ų131133.9 Ų133.985%0.85177%0.765SS**  cis-121.5-156.635.441.1-24.7000114.1
572S33.4Very low34.7Very low108 Ų108135.9 Ų135.976%0.75577%0.767SS**  trans-148.6162.8-161-51.80000115.4
573A35.6Very low34.5Very low97 Ų97134.2 Ų134.280%0.80276%0.762SS**  trans75.6137.6154.200000121.6
574N30.2Very low34.2Very low162 Ų162130.2 Ų130.287%0.86676%0.761SS**  -165170.4117-128-22.1000114.3
575N35.1Very low34.4Very low138 Ų138131.6 Ų131.674%0.73876%0.758SS**  trans-155.3127-177.517526.6000112
576Q34.1Very low34.6Very low182 Ų182134.4 Ų134.485%0.8576%0.756SS**  trans-172.5-179.7162.8-114.5150.3108.200115.6
577Q32.6Very low34.5Very low186 Ų186137 Ų13787%0.86976%0.758SS**  trans-123.5158.2-161.5-53.1159.6-64.900113.6
578A30.5Very low34.3Very low88 Ų88133.3 Ų133.373%0.72776%0.759SS**  trans158.9135154.800000108.7
579T32.2Very low34.4Very low126 Ų126131.5 Ų131.577%0.77377%0.766SS**  cis122.4149.313.747.20000111.9
580N32.2Very low34.7Very low144 Ų144130.8 Ų130.877%0.7777%0.767SS**  trans86.2141.1-165.5-51.9-12.8000112.7
581T35.7Very low36.2Very low122 Ų122132 Ų13275%0.74877%0.773SS**  cis80.2146.114.979.40000116.6
582C34.4Very low35.5Very low107 Ų107129.4 Ų129.472%0.72377%0.77SS**  cis-109.4-152.13.7-51.70000111.2
583D32.6Very low35.5Very low151 Ų151129.9 Ų129.981%0.80777%0.773SS**  cis-156.1-177.1-5-121.9-36.2000107.3
584G30.5Very low35.6Very low64 Ų64130 Ų13066%0.6677%0.769SS**  cis-150.1-168.32.200000113.5
585R39.5Very low35.9Very low211 Ų211127.4 Ų127.480%0.79676%0.763SS**  trans-128.8162.1-153.6-75.2-164.7-180-177.2-0.4118.4
586Q37.2Very low36.1Very low117 Ų117128.4 Ų128.455%0.54776%0.764SS.*  trans71.3152.3150.1-77.6155.1-135.100116.8
587Y36.6Very low36Very low214 Ų214127.6 Ų127.684%0.83976%0.762SS**  cis-143.6174.4-0-90-60.3000108.8
588G33.5Very low36.3Very low66 Ų66124.1 Ų124.168%0.6876%0.758SS**  cis155140.1-10.100000115.8
589A37.5Very low36.8Very low96 Ų96125.5 Ų125.579%0.79376%0.757SS**  trans7589.1146.500000125
590V39.9Very low37.2Very low141 Ų141126.8 Ų126.886%0.85575%0.754SS**  trans69.6-178.7134.3-126.40000119.8
591P60.5Low37.5Very low121 Ų121127.5 Ų127.579%0.78675%0.754SS**  -124.3178.1-113.444.8-28.4000118
592G31.1Very low37.9Very low77 Ų77132 Ų13279%0.79478%0.781SS**  trans-140.3171.4170.100000113.2
593S35.2Very low38.1Very low117 Ų117133.3 Ų133.382%0.81878%0.784SS**  trans-149.4159-165-170.70000116.1
594S35.7Very low38.3Very low100 Ų100132.3 Ų132.370%0.69978%0.783SS**  trans80.7151.2154.378.70000121.5
595S37.6Very low38.8Very low108 Ų108136.1 Ų136.176%0.75579%0.79SS**  trans71.7155.8157-65.60000120
596Q38.8Very low38.7Very low159 Ų159131.7 Ų131.774%0.74379%0.79SS**  cis-167.7170-40.3-144-169.448.600109.6
597M32.9Very low38.8Very low165 Ų165132.6 Ų132.681%0.81381%0.805SS**  trans78.1169.8162-42.7-139.290.900118.2
598S39Very low39Very low112 Ų112127.2 Ų127.278%0.78380%0.802SS**  trans-129.3-171.3-160.7-41.30000112
599V40.3Very low39.4Very low118 Ų118131.6 Ų131.672%0.71581%0.811SS**  trans115.2140.3151-1770000116.3
600H40.6Very low39.5Very low153 Ų153134.3 Ų134.371%0.70881%0.813SS**  trans73126.6174.8-70.4-30.8000117
601M37.8Very low39.5Very low158 Ų158133.8 Ų133.878%0.77881%0.809SS**  62.3135.780.7-59.7-162.7-39.300112.2
602V44.6Very low37.6Very low217 Ų217134.9 Ų134.9100%1.31581%0.811SS**  cis-104.2017.9178.60000113.2

Retrieved 602 of 602 residues in 263.3 ms (Link to these results)