A0A077ZES9_TRITR Loading...

Zn finger in Ran binding protein

AlphaFold DB , UniProt , Accession A0A077ZES9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 473 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
1M60.4Low72.8Confident185 Ų185103.5 Ų103.591%0.91151%0.513SS*.  0-58.70-77.5-101.2-8500112Q3 Q4 Q5M1-Q3 PolarHBondContact O-N 3.49Å; M1-Q4 PolarHBondContact O-N 3.47Å; M1-Q5 PolarHBondContact O-N 2.85Å
2Q71.9Confident72.5Confident156 Ų156105.6 Ų105.673%0.72952%0.52SS*.Hα-helixtrans-59.4-42.9-179.8-91.4178.71.700114.9Q4 Q5 Q6Q2-Q4 VanDerWaalsContact C-N 3.31Å; Q2-Q4 PolarHBondContact O-N 3.22Å; Q2-Q5 PolarHBondContact O-N 3.47Å; Q2-Q6 PolarHBondContact O-N 3.03Å
3Q71.1Confident72Confident144 Ų144108.5 Ų108.567%0.67353%0.532SS*.Hα-helixtrans-64.7-35-179.3-164.5175.629.300112.8M1 Q6 Y7M1-Q3 PolarHBondContact O-N 3.49Å; Q3-Q6 PolarHBondContact O-N 3.36Å; Q3-Y7 PolarHBondContact O-N 3.04Å
4Q74.5Confident71.1Confident147 Ų147109.3 Ų109.369%0.68753%0.531SS*.Hα-helixtrans-72.3-32.6177.3-160.5170.62900111.9M1 Q2 A8M1-Q4 PolarHBondContact O-N 3.47Å; Q2-Q4 VanDerWaalsContact C-N 3.31Å; Q2-Q4 PolarHBondContact O-N 3.22Å; Q4-A8 WeakPolarHBondContact O-CB 3.21Å; Q4-A8 PolarHBondContact O-N 3.42Å
5Q75.3Confident70.3Confident123 Ų123111.5 Ų111.558%0.57553%0.533SS*.Hα-helixtrans-70.7-38.9173-71.6176.2-700111.9M1 Q2 Y7 A8 A9M1-Q5 PolarHBondContact O-N 2.85Å; Q2-Q5 PolarHBondContact O-N 3.47Å; Q5-Y7 VanDerWaalsContact C-N 3.33Å; Q5-A8 PolarHBondContact O-N 2.87Å; Q5-A9 WeakPolarHBondContact O-CB 3.4Å; Q5-A9 PolarHBondContact O-N 2.95Å
6Q74.4Confident69.1Low139 Ų139113.8 Ų113.865%0.6554%0.543SS*.Hα-helixtrans-62.7-41172.9-75.5-178.8-21.900111.5Q2 Q3 A9 Y10Q2-Q6 PolarHBondContact O-N 3.03Å; Q3-Q6 PolarHBondContact O-N 3.36Å; Q6-A9 PolarHBondContact O-N 2.63Å; Q6-Y10 VanDerWaalsContact O-CB 3.25Å; Q6-Y10 WeakPolarHBondContact O-CB 3.47Å; Q6-Y10 PolarHBondContact O-N 2.74Å
7Y72.8Confident67.9Low62 Ų62114.3 Ų114.324%0.24356%0.555CS.*Hα-helixtrans-64.6-43.2174.4-172.8-109.2000112.6Q3 Q5 Y10 M11 I225 E228Q3-Y7 PolarHBondContact O-N 3.04Å; Q5-Y7 VanDerWaalsContact C-N 3.33Å; Y7-Y10 WeakPolarHBondContact O-CB 3.38Å; Y7-Y10 PolarHBondContact O-N 2.72Å; Y7-M11 HydrophobicContact CD1-CG 4.27Å; Y7-M11 HydrophobicContact CE1-CG 3.93Å; Y7-M11 HydrophobicContact CE2-CG 4.24Å; Y7-M11 HydrophobicContact CE2-SD 4.46Å; Y7-M11 VanDerWaalsContact O-CG 3.31Å; Y7-M11 WeakPolarHBondContact O-CG 2.94Å; Y7-M11 PolarHBondContact O-N 3.05Å; Y7-I225 HydrophobicContact CD2-CD1 3.64Å; Y7-I225 HydrophobicContact CD2-CG1 4.2Å; Y7-I225 HydrophobicContact CE2-CB 4.33Å; Y7-I225 HydrophobicContact CE2-CD1 3.29Å; Y7-I225 HydrophobicContact CE2-CG1 3.43Å; Y7-I225 VanDerWaalsContact CE2-CG1 3.43Å; Y7-I225 HydrophobicContact CE2-CG2 4.02Å; Y7-E228 PolarHBondContact OH-OE2 3.36Å
8A75.2Confident67Low45 Ų45113.2 Ų113.237%0.37256%0.558SS.*Hα-helixtrans-64.6-40.9177.100000112.5Q4 Q5 M11 Q12Q4-A8 WeakPolarHBondContact O-CB 3.21Å; Q4-A8 PolarHBondContact O-N 3.42Å; Q5-A8 PolarHBondContact O-N 2.87Å; A8-M11 PolarHBondContact O-N 3.45Å; A8-Q12 WeakPolarHBondContact O-CG 3.27Å; A8-Q12 PolarHBondContact O-N 3.31Å
9A75Confident65.9Low50 Ų50114.2 Ų114.241%0.41357%0.573SS.*Hα-helixtrans-66.2-39.3175.700000111.8Q5 Q6 Q12 Q13Q5-A9 WeakPolarHBondContact O-CB 3.4Å; Q5-A9 PolarHBondContact O-N 2.95Å; Q6-A9 PolarHBondContact O-N 2.63Å; A9-Q12 PolarHBondContact O-N 2.95Å; A9-Q13 WeakPolarHBondContact O-CG 3.35Å; A9-Q13 PolarHBondContact O-N 3.09Å; A9-Q13 VanDerWaalsContact O-N 3.16Å
10Y75.8Confident64.8Low43 Ų43116.9 Ų116.917%0.16958%0.584CS.*Hα-helixtrans-62.2-48.1174.4-175.8-101.7000111.5Q6 Y7 Q12 Q13 F14 M220 P284 G285Q6-Y10 VanDerWaalsContact O-CB 3.25Å; Q6-Y10 WeakPolarHBondContact O-CB 3.47Å; Q6-Y10 PolarHBondContact O-N 2.74Å; Y7-Y10 WeakPolarHBondContact O-CB 3.38Å; Y7-Y10 PolarHBondContact O-N 2.72Å; Y10-Q12 VanDerWaalsContact C-N 3.31Å; Y10-Q12 PolarHBondContact O-N 2.81Å; Y10-Q13 PolarHBondContact O-N 3.23Å; Y10-F14 HydrophobicContact CD1-CD2 4.43Å; Y10-F14 HydrophobicContact CD2-CD2 4.16Å; Y10-F14 AromaticContact CD2-CE2 3.88Å; Y10-F14 HydrophobicContact CD2-CE2 3.88Å; Y10-F14 HydrophobicContact CE1-CD2 4.15Å; Y10-F14 HydrophobicContact CE1-CE2 4.25Å; Y10-F14 AromaticContact CE2-CD2 3.86Å; Y10-F14 HydrophobicContact CE2-CD2 3.86Å; Y10-F14 AromaticContact CE2-CE2 3.27Å; Y10-F14 HydrophobicContact CE2-CE2 3.27Å; Y10-F14 HydrophobicContact CE2-CZ 4.1Å; Y10-F14 HydrophobicContact CG-CD2 4.43Å; Y10-F14 AromaticContact CZ-CD2 3.84Å; Y10-F14 AromaticContact CZ-CE2 3.48Å; Y10-F14 VanDerWaalsContact CZ-CE2 3.48Å; Y10-F14 WeakPolarHBondContact O-CD2 3.28Å; Y10-F14 PolarHBondContact O-N 3.36Å; Y10-M220 HydrophobicContact CD1-CE 4.36Å; Y10-M220 HydrophobicContact CD2-CE 4.35Å; Y10-M220 HydrophobicContact CE1-CE 4.3Å; Y10-M220 HydrophobicContact CE2-CE 4.28Å; Y10-M220 HydrophobicContact CG-CE 4.38Å; Y10-P284 PolarHBondContact OH-O 3.19Å; Y10-G285 WeakPolarHBondContact OH-CA 3.42Å; Y10-G285 PolarHBondContact OH-N 2.74Å
11M74.7Confident63.8Low45 Ų45120.4 Ų120.422%0.22260%0.599CS.*Hα-helixtrans-62.3-36.5176.6-70.7-69.5-80.400112.4Y7 A8 Q13 F14 Y15 E228Y7-M11 HydrophobicContact CD1-CG 4.27Å; Y7-M11 HydrophobicContact CE1-CG 3.93Å; Y7-M11 HydrophobicContact CE2-CG 4.24Å; Y7-M11 HydrophobicContact CE2-SD 4.46Å; Y7-M11 VanDerWaalsContact O-CG 3.31Å; Y7-M11 WeakPolarHBondContact O-CG 2.94Å; Y7-M11 PolarHBondContact O-N 3.05Å; A8-M11 PolarHBondContact O-N 3.45Å; M11-Q13 VanDerWaalsContact C-N 3.34Å; M11-Q13 PolarHBondContact O-N 3.27Å; M11-F14 PolarHBondContact O-N 3.14Å; M11-Y15 HydrophobicContact CE-CD2 4.03Å; M11-Y15 HydrophobicContact CE-CE2 3.53Å; M11-Y15 WeakPolarHBondContact O-CB 3.46Å; M11-Y15 WeakPolarHBondContact O-CD2 3.35Å; M11-Y15 PolarHBondContact O-N 3.4Å; M11-Y15 HydrophobicContact SD-CD2 4.24Å; M11-Y15 HydrophobicContact SD-CE2 3.86Å; M11-E228 WeakPolarHBondContact CE-OE1 3.35Å
12Q68.5Low63.1Low128 Ų128120.8 Ų120.860%0.59860%0.598SS**Hα-helixtrans-67.3-31.1176.1-76.1179.53100113.4A8 A9 Y10 Q16A8-Q12 WeakPolarHBondContact O-CG 3.27Å; A8-Q12 PolarHBondContact O-N 3.31Å; A9-Q12 PolarHBondContact O-N 2.95Å; Y10-Q12 VanDerWaalsContact C-N 3.31Å; Y10-Q12 PolarHBondContact O-N 2.81Å; Q12-Q16 VanDerWaalsContact O-CG 3.22Å; Q12-Q16 WeakPolarHBondContact O-CG 3.45Å; Q12-Q16 PolarHBondContact O-N 3.35Å; Q12-Q16 PolarHBondContact O-NE2 3.08Å
13Q66.4Low61.9Low144 Ų144122.8 Ų122.867%0.67361%0.608SS**Hα-helixtrans-74.3-33.9177.7-73.4-179.8-6.100112.5A9 Y10 M11A9-Q13 WeakPolarHBondContact O-CG 3.35Å; A9-Q13 PolarHBondContact O-N 3.09Å; A9-Q13 VanDerWaalsContact O-N 3.16Å; Y10-Q13 PolarHBondContact O-N 3.23Å; M11-Q13 VanDerWaalsContact C-N 3.34Å; M11-Q13 PolarHBondContact O-N 3.27Å
14F59.1Low60.8Low119 Ų119125 Ų12552%0.52262%0.618SS.*Hα-helixtrans-87.9-23.6-177.4-81.1-89.8000114Y10 M11Y10-F14 HydrophobicContact CD1-CD2 4.43Å; Y10-F14 HydrophobicContact CD2-CD2 4.16Å; Y10-F14 AromaticContact CD2-CE2 3.88Å; Y10-F14 HydrophobicContact CD2-CE2 3.88Å; Y10-F14 HydrophobicContact CE1-CD2 4.15Å; Y10-F14 HydrophobicContact CE1-CE2 4.25Å; Y10-F14 AromaticContact CE2-CD2 3.86Å; Y10-F14 HydrophobicContact CE2-CD2 3.86Å; Y10-F14 AromaticContact CE2-CE2 3.27Å; Y10-F14 HydrophobicContact CE2-CE2 3.27Å; Y10-F14 HydrophobicContact CE2-CZ 4.1Å; Y10-F14 HydrophobicContact CG-CD2 4.43Å; Y10-F14 AromaticContact CZ-CD2 3.84Å; Y10-F14 AromaticContact CZ-CE2 3.48Å; Y10-F14 VanDerWaalsContact CZ-CE2 3.48Å; Y10-F14 WeakPolarHBondContact O-CD2 3.28Å; Y10-F14 PolarHBondContact O-N 3.36Å; M11-F14 PolarHBondContact O-N 3.14Å
15Y58.9Low59.3Low143 Ų143127.1 Ų127.156%0.56163%0.628SS**SBendtrans-103.511177.9-74-82.5000114.5M11 V17M11-Y15 HydrophobicContact CE-CD2 4.03Å; M11-Y15 HydrophobicContact CE-CE2 3.53Å; M11-Y15 WeakPolarHBondContact O-CB 3.46Å; M11-Y15 WeakPolarHBondContact O-CD2 3.35Å; M11-Y15 PolarHBondContact O-N 3.4Å; M11-Y15 HydrophobicContact SD-CD2 4.24Å; M11-Y15 HydrophobicContact SD-CE2 3.86Å; Y15-V17 PolarHBondContact O-N 3.42Å
16Q51.3Low57.9Low148 Ų148130.2 Ų130.269%0.69264%0.643SS**  trans-7480.2167.3-92.8173.381.100110.1Q12Q12-Q16 VanDerWaalsContact O-CG 3.22Å; Q12-Q16 WeakPolarHBondContact O-CG 3.45Å; Q12-Q16 PolarHBondContact O-N 3.35Å; Q12-Q16 PolarHBondContact O-NE2 3.08Å
17V48.6Very low56.6Low122 Ų122132.4 Ų132.474%0.73965%0.653SS**  trans-63.1122.1162.1-176.80000107.1Y15Y15-V17 PolarHBondContact O-N 3.42Å
18P53Low55.3Low95 Ų95138.4 Ų138.462%0.61768%0.683SS**  trans-60.2132.3176.722.1-30.3000109.5Q20P18-Q20 PolarHBondContact O-N 3.09Å
19P44.8Very low54.6Low131 Ų131142 Ų14285%0.85170%0.702SS**SBendtrans-78.573.7178.432.9-33.4000109
20Q44.6Very low54.2Low169 Ų169145.2 Ų145.279%0.7972%0.719SS**  trans-141.4125.2171.2-70.8-168-15.100109.9P18P18-Q20 PolarHBondContact O-N 3.09Å
21Q44.6Very low53.6Low190 Ų190148.8 Ų148.889%0.88875%0.747SS**SBendtrans107.511.5167-55.5-17229.900120.6
22Q44.7Very low52.7Low193 Ų193152.6 Ų152.690%0.90278%0.776SS**THydrogen-bonded Turntrans-90.714.2173.6-109.1178.125.800116.8
23Q47.1Very low51.5Low198 Ų198153.7 Ų153.793%0.92579%0.791SS**THydrogen-bonded Turntrans-103.713.5-178-87.4-174.914.900116.6
24Q46.6Very low50.4Low191 Ų191150.5 Ų150.589%0.89380%0.797SS**SBendtrans-123.510.9-178.9-81.9-175.218.400117.3
25Q43.9Very low49.6Very low191 Ų191151.5 Ų151.589%0.89381%0.814SS**  trans-118.212.7178.3-74.5-17520.500115.9Q27Q25-Q27 VanDerWaalsContact C-N 3.33Å; Q25-Q27 PolarHBondContact O-N 3.36Å
26Q46.7Very low48.6Very low189 Ų189150.1 Ų150.188%0.88382%0.824SS**SBendtrans-88.122.7178.4-88.4-176.51900115.7
27Q46Very low48.1Very low184 Ų184147.7 Ų147.786%0.8682%0.824SS**  trans-137.467.1177.6-64.6-173.345.800112.1Q25Q25-Q27 VanDerWaalsContact C-N 3.33Å; Q25-Q27 PolarHBondContact O-N 3.36Å
28Q45.9Very low47.7Very low188 Ų188151.9 Ų151.988%0.87983%0.828SS**  trans-140.9124.2153.9-70.3-157.1-5.100111.3
29P60.5Low47.2Very low120 Ų120157.6 Ų157.678%0.77984%0.839SS**PPolyproline II helixtrans-75.8156.5175.331.3-33.1000111.5
30P67.2Low47.1Very low118 Ų118155.9 Ų155.977%0.76684%0.835SS**PPolyproline II helixtrans-69.1151.9-177.929.1-35.1000112.7
31P62.8Low47.1Very low118 Ų118153 Ų15377%0.76684%0.84SS**PPolyproline II helixtrans-72.9147-18030.1-34.5000112.1
32P55.5Low46.9Very low126 Ų126152.8 Ų152.882%0.81884%0.839SS**PPolyproline II helixtrans-76.8137.2176.930.4-32.4000111.7G34P32-G34 PolarHBondContact O-N 2.79Å
33T42.7Very low46.9Very low150 Ų150152 Ų15292%0.9284%0.836SS**PPolyproline II helixtrans-60.9124.3167.3450000111.1
34G43Very low46.8Very low78 Ų78151.2 Ų151.280%0.80483%0.832SS**  trans-147.6122.1174.700000111.2P32P32-G34 PolarHBondContact O-N 2.79Å
35T43Very low46.7Very low140 Ų140151.3 Ų151.386%0.85984%0.835SS**  trans-74.6161.6-179.642.90000114.3
36S38.6Very low46.7Very low113 Ų113150.8 Ų150.879%0.7983%0.833SS**  trans80.6138.6161.3-131.60000114.8
37S40.9Very low46.5Very low98 Ų98149 Ų14969%0.68583%0.829SS**  cis-172.6145.623.7-7.90000109.4
38Y38.7Very low46.6Very low209 Ų209150 Ų15082%0.8283%0.83SS**  trans27.6149.2142.2-79.9-96.7000124.7
39Y44.2Very low46.6Very low216 Ų216148.3 Ų148.385%0.84782%0.823SS**  trans91.9103.6166.2-60.2-78.4000116.1
40A42.9Very low45.7Very low94 Ų94151.3 Ų151.378%0.77783%0.826SS**  6710474.700000114.4
41A43.2Very low44.5Very low108 Ų108149.3 Ų149.389%0.89383%0.827SS**  trans-171.4113.3147.300000111.8
42Q40.2Very low43.4Very low186 Ų186149 Ų14987%0.86983%0.834SS**  trans-85.4131.9153.9-82.6176.21.200108.2
43Q45.9Very low42.8Very low176 Ų176147.5 Ų147.582%0.82283%0.832SS**  trans-172.2118.3146.7-110.2162.560.700113
44Q45.3Very low42.7Very low182 Ų182149.5 Ų149.585%0.8583%0.834SS**  trans34.4119.3130.7-56179.516.300119.6
45M44.1Very low42.6Very low194 Ų194149.5 Ų149.596%0.95683%0.834SS**  trans-140.6105.1152.9-76.3-79.1-94.400108.7
46Q43.7Very low42.3Very low180 Ų180146.2 Ų146.284%0.84183%0.828SS**  trans-101.4157162.4-98.9172.52.400108.9
47D42.6Very low42.5Very low152 Ų152150.2 Ų150.281%0.81384%0.837SS**  trans78.1107.8165.4-68.4-42.5000120.1
48K48.2Very low42.4Very low203 Ų203154.8 Ų154.888%0.88385%0.847SS**  trans-145.796.2141.3-131.6178-176.8-169.70112
49Q45.1Very low42.6Very low153 Ų153148.5 Ų148.572%0.71584%0.839SS**  trans26.2115.3136.1-68.6177.25.400119
50Q42.1Very low42.5Very low184 Ų184146.3 Ų146.386%0.8684%0.836SS**  89.3122.397-72.6175.319.300114.3
51G41.5Very low42.3Very low75 Ų75150 Ų15077%0.77384%0.839SS**  trans179.689170.700000114.9
52A41.2Very low42.4Very low111 Ų111153 Ų15392%0.91784%0.84SS**  trans74.6125.4149.300000121.4
53A41.9Very low42.9Very low95 Ų95149.6 Ų149.679%0.78583%0.833SS**  trans-85.8159.8178.700000113.5
54M41Very low42.7Very low192 Ų192143.8 Ų143.895%0.94682%0.821SS**  166.1132.3125.5-87.7-92.8-97.100112.3
55G40.1Very low42.5Very low79 Ų79145.9 Ų145.981%0.81482%0.822SS**  trans97.396.3143.200000118
56G38.1Very low42.2Very low71 Ų71140.2 Ų140.273%0.73281%0.813SS**  trans-86.3167162.500000113
57M42.3Very low42.1Very low197 Ų197135.4 Ų135.497%0.9781%0.805SS**  trans-174.4128.1137.9-99.8172.8-146.300109.5
58Q38Very low41.7Very low193 Ų193139 Ų13990%0.90281%0.809SS**  trans-67.9157168.6-73.6162-3000110.4
59A44.3Very low41.3Very low78 Ų78132.9 Ų132.965%0.64580%0.802SS**  145.7139111.900000114.8
60Q40Very low41.1Very low169 Ų169132.7 Ų132.779%0.7981%0.812SS**  trans76.9105.4144.6-15.2-165.148.700118.9
61M39.2Very low41.1Very low173 Ų173127.6 Ų127.685%0.85281%0.809SS**  78.1116.887-70.8-168.7-151.600115.6
62L46.3Very low41Very low171 Ų171128.2 Ų128.290%0.89582%0.815SS**  trans148.5133.4132.6-84.4146.6000113.5
63P50.2Low41Very low114 Ų114127.6 Ų127.674%0.7481%0.81SS**  trans-110.4151.4170.337.4-26.5000113.3
64G42.2Very low41.1Very low54 Ų54132.4 Ų132.456%0.55782%0.816SS**  trans-172.5107.7172.800000117.3
65Y40.4Very low41.2Very low226 Ų226131.4 Ų131.489%0.88681%0.811SS**  trans37.7136.3136.315.1-95.1000123.6
66G38.8Very low41.8Very low74 Ų74133.8 Ų133.876%0.76381%0.812SS**  trans104.8104.7143.700000114.9
67A40Very low42.4Very low80 Ų80137 Ų13766%0.66182%0.817SS**  89.6122.276.100000113.6
68Y35Very low42.2Very low228 Ų228133.9 Ų133.989%0.89481%0.805SS**  trans48.3136.3164.166.1-93.7000120.2
69G38.9Very low42.6Very low73 Ų73130.4 Ų130.475%0.75380%0.799SS**  trans150.8105.2159.700000114.6
70T42.7Very low42.4Very low150 Ų150135 Ų13592%0.9281%0.807SS**  trans-51.6135.6164.251.50000112.7
71G41.9Very low42.4Very low76 Ų76131.8 Ų131.878%0.78481%0.809SS**  trans168.2114.1167.900000111.6
72G37.6Very low42.5Very low88 Ų88128.7 Ų128.791%0.90781%0.805SS**  trans-67.9146.2177.800000112.3
73A42.5Very low42.6Very low98 Ų98129.6 Ų129.681%0.8180%0.804SS**  trans-145.1125.2158.700000108.1
74Q43.6Very low42.2Very low196 Ų196132.9 Ų132.992%0.91681%0.812SS**PPolyproline II helixtrans-70.3141.1-176.6-68.4158-51.600110.5
75M44Very low42.7Very low172 Ų172135.6 Ų135.685%0.84782%0.818SS**PPolyproline II helixtrans-74.1143.2168.2-57-70.7-136.700109.5V77M75-V77 PolarHBondContact O-N 3.07Å
76P51.6Low42.8Very low129 Ų129128.5 Ų128.584%0.83880%0.801SS**PPolyproline II helixtrans-72126.1-177.728.1-32.8000111.6
77V50Low43.5Very low138 Ų138130 Ų13084%0.83680%0.797SS**PPolyproline II helixtrans-88135171.7-78.40000110.9M75M75-V77 PolarHBondContact O-N 3.07Å
78N38.5Very low44.3Very low132 Ų132132 Ų13271%0.70680%0.796SS**PPolyproline II helixtrans-61.2122.2176.6-177.13.3000111.9Q80N78-Q80 PolarHBondContact O-N 3Å
79P46.1Very low45.2Very low119 Ų119127.9 Ų127.977%0.77379%0.786SS**  trans-98.376.8-179.936.4-29.5000111.7
80Q41.6Very low45.5Very low176 Ų176132 Ų13282%0.82278%0.78SS**  trans-13913.6173.2-78.4-165.3-73.400116.8N78N78-Q80 PolarHBondContact O-N 3Å
81A39Very low46.1Very low101 Ų101134.6 Ų134.684%0.83577%0.773SS**  trans-131.962174.600000111.7
82S42.1Very low46.7Very low108 Ų108139.5 Ų139.576%0.75578%0.775SS**  trans-117.378.8164.7-72.30000108.6
83Q47.9Very low47Very low189 Ų189144.8 Ų144.888%0.88377%0.769SS**  trans-11892.4156.9-65.5-13119.900106.3V85Q83-V85 PolarHBondContact O-N 2.89Å
84M42.8Very low47.4Very low183 Ų183146.4 Ų146.490%0.90176%0.755SS**  trans-69.3107.2176.3-62176.4160.100107.7S86M84-S86 PolarHBondContact O-N 3.48Å
85V51Low47.4Very low112 Ų112140.3 Ų140.368%0.67974%0.744SS**  trans-75.6117.8165.9179.60000107Q83 Q89Q83-V85 PolarHBondContact O-N 2.89Å; V85-Q89 HydrophobicContact CG1-CB 4.44Å
86S42.6Very low47.3Very low77 Ų77140.2 Ų140.254%0.53874%0.742SS.*  trans-60.9138.7-175.7-1330000111.5M84 D88 Q89M84-S86 PolarHBondContact O-N 3.48Å; S86-D88 PolarHBondContact O-N 2.98Å; S86-Q89 PolarHBondContact O-N 3.31Å; S86-Q89 VanDerWaalsContact O-N 3.12Å
87P54.9Low46.7Very low104 Ų104144 Ų14468%0.67574%0.741SS**Hα-helixtrans-61-14.9-174.320.5-30.8000114.9
88D55.6Low46.3Very low122 Ų122145.5 Ų145.565%0.65274%0.739SS**Hα-helixtrans-75.8-26.9176.9-69.3-50.7000113.9S86 Y90 R91S86-D88 PolarHBondContact O-N 2.98Å; D88-Y90 VanDerWaalsContact C-N 3.33Å; D88-Y90 PolarHBondContact O-N 3.43Å; D88-R91 PolarHBondContact O-N 3.18Å
89Q53.9Low46.4Very low143 Ų143147.5 Ų147.567%0.66874%0.744SS**Hα-helixtrans-74.2-25.7179.1-113.4-161.2-4.200112.8V85 S86 R91V85-Q89 HydrophobicContact CG1-CB 4.44Å; S86-Q89 PolarHBondContact O-N 3.31Å; S86-Q89 VanDerWaalsContact O-N 3.12Å; Q89-R91 VanDerWaalsContact C-N 3.35Å
90Y45.6Very low46.3Very low160 Ų160147.7 Ų147.763%0.62775%0.745SS**Hα-helixtrans-71.6-28.9178.1-162.9-96.7000112.4D88 Y94D88-Y90 VanDerWaalsContact C-N 3.33Å; D88-Y90 PolarHBondContact O-N 3.43Å; Y90-Y94 HydrophobicContact CD2-CD2 4.43Å; Y90-Y94 HydrophobicContact CE1-CD2 4.17Å; Y90-Y94 HydrophobicContact CE2-CD2 4.03Å; Y90-Y94 AromaticContact CE2-CE2 3.93Å; Y90-Y94 HydrophobicContact CE2-CE2 3.93Å; Y90-Y94 AromaticContact CZ-CD2 3.89Å; Y90-Y94 PolarHBondContact O-N 3.49Å
91R56.1Low46.1Very low204 Ų204147.8 Ų147.877%0.7775%0.746SS**Hα-helixtrans-73-30.2177.4-76-168.2100.5104.5-1.3113.6D88 Q89 G95D88-R91 PolarHBondContact O-N 3.18Å; Q89-R91 VanDerWaalsContact C-N 3.35Å; R91-G95 WeakPolarHBondContact O-CA 3.35Å; R91-G95 PolarHBondContact O-N 3.16Å
92Q53.8Low46.2Very low179 Ų179151.8 Ų151.884%0.83675%0.747SS**Hα-helixtrans-77-29178.6-69.9-166-500112.6
93Y44.5Very low46.2Very low198 Ų198155.6 Ų155.678%0.77675%0.753SS**Hα-helixtrans-84.1-22.8-178-147.9-96.5000113.9
94Y49.4Very low46Very low133 Ų133155.4 Ų155.452%0.52275%0.752SS.*Hα-helixtrans-116.87.9179.7-76.2-83.2000114.4Y90 Q96Y90-Y94 HydrophobicContact CD2-CD2 4.43Å; Y90-Y94 HydrophobicContact CE1-CD2 4.17Å; Y90-Y94 HydrophobicContact CE2-CD2 4.03Å; Y90-Y94 AromaticContact CE2-CE2 3.93Å; Y90-Y94 HydrophobicContact CE2-CE2 3.93Å; Y90-Y94 AromaticContact CZ-CD2 3.89Å; Y90-Y94 PolarHBondContact O-N 3.49Å; Y94-Q96 VanDerWaalsContact C-N 3.29Å; Y94-Q96 PolarHBondContact O-N 3.3Å
95G44.9Very low46.2Very low67 Ų67155.1 Ų155.169%0.69175%0.749SS**THydrogen-bonded Turntrans-7810.8-173.100000117.2R91R91-G95 WeakPolarHBondContact O-CA 3.35Å; R91-G95 PolarHBondContact O-N 3.16Å
96Q41Very low46.6Very low170 Ų170155.2 Ų155.279%0.79475%0.752SS**THydrogen-bonded Turntrans-1129.5-172.9-145.3-175.38.900115.9Y94 Q98Y94-Q96 VanDerWaalsContact C-N 3.29Å; Y94-Q96 PolarHBondContact O-N 3.3Å; Q96-Q98 VanDerWaalsContact C-N 3.31Å; Q96-Q98 PolarHBondContact O-N 3.12Å
97Y39.7Very low47.7Very low208 Ų208157 Ų15782%0.81676%0.762SS**  trans-76.490.8171.2-73-78.6000110.7Q99Y97-Q99 PolarHBondContact O-N 2.99Å
98Q41.6Very low48.5Very low170 Ų170157.6 Ų157.679%0.79477%0.765SS**  trans-40.6131.6159-82.3162.2-3.200109.8Q96Q96-Q98 VanDerWaalsContact C-N 3.31Å; Q96-Q98 PolarHBondContact O-N 3.12Å
99Q39.4Very low49.4Very low174 Ų174157.3 Ų157.381%0.81377%0.77SS**  trans-47.4138.4173.9-66-151.8-6.800110.1Y97 Q101Y97-Q99 PolarHBondContact O-N 2.99Å; Q99-Q101 VanDerWaalsContact C-N 3.33Å; Q99-Q101 PolarHBondContact O-N 3.49Å
100P44.1Very low50.3Low124 Ų124156.1 Ų156.181%0.80578%0.775SS**  trans-61.5105.6165.824.7-27.9000106.6Q102P100-Q102 PolarHBondContact O-N 3.44Å
101Q39.1Very low51.6Low177 Ų177154 Ų15483%0.82778%0.78SS**  trans-48127.9162.6-74.6-171.5-7.400106.5Q99 Q103Q99-Q101 VanDerWaalsContact C-N 3.33Å; Q99-Q101 PolarHBondContact O-N 3.49Å; Q101-Q103 VanDerWaalsContact C-N 3.29Å; Q101-Q103 PolarHBondContact O-N 3.48Å
102Q39.4Very low52.5Low185 Ų185149.9 Ų149.986%0.86478%0.78SS**  trans-50.296.5174.2-65.8171.115.900108P100 Q104P100-Q102 PolarHBondContact O-N 3.44Å; Q102-Q104 VanDerWaalsContact C-N 3.33Å; Q102-Q104 PolarHBondContact O-N 3.28Å
103Q43Very low53.2Low189 Ų189146.9 Ų146.988%0.88378%0.776SS**  trans-68102.5171.4-89.8179.35.300106Q101 Q105Q101-Q103 VanDerWaalsContact C-N 3.29Å; Q101-Q103 PolarHBondContact O-N 3.48Å; Q103-Q105 PolarHBondContact O-N 3.05Å
104Q44.1Very low53.7Low184 Ų184143.5 Ų143.586%0.8678%0.778SS**PPolyproline II helixtrans-50.4118.8175.9-63.1169.824.100108Q102Q102-Q104 VanDerWaalsContact C-N 3.33Å; Q102-Q104 PolarHBondContact O-N 3.28Å
105Q46.8Very low54.1Low178 Ų178142.9 Ų142.983%0.83279%0.794SS**PPolyproline II helixtrans-61.5136.3173.4-65.7-159.8-28.900108.8Q103Q103-Q105 PolarHBondContact O-N 3.05Å
106P59.3Low54.4Low114 Ų114144.6 Ų144.674%0.7480%0.795SS**PPolyproline II helixtrans-60.8140.5170.426.1-32.1000109.1
107P65.4Low54.5Low115 Ų115139.8 Ų139.875%0.74779%0.791SS**PPolyproline II helixtrans-63.8150.2-179.526.6-33.6000110.9
108P72.3Confident55.2Low116 Ų116138.8 Ų138.875%0.75379%0.793SS**PPolyproline II helixtrans-62.8150.5175.427.5-34.1000111
109P73.6Confident55.4Low116 Ų116136.9 Ų136.975%0.75380%0.796SS**PPolyproline II helixtrans-63.8148.6178.526.9-33.9000111.4
110P73.5Confident55.7Low117 Ų117132.6 Ų132.676%0.7680%0.798SS**PPolyproline II helixtrans-67.4149.8-177.927.8-34.2000111.8
111P73.2Confident55.9Low115 Ų115130.1 Ų130.175%0.74780%0.795SS**PPolyproline II helixtrans-65.5152.2174.528.4-33.9000111.3
112P74.4Confident56.7Low118 Ų118127 Ų12777%0.76679%0.79SS**PPolyproline II helixtrans-62.6147.9177.527-34.2000111.2
113P69Low57.1Low117 Ų117124.6 Ų124.676%0.7679%0.79SS**PPolyproline II helixtrans-64.7147.3-177.627.1-34.3000111.5S115P113-S115 PolarHBondContact O-N 3.45Å
114P55.1Low57.6Low126 Ų126123.7 Ų123.782%0.81879%0.789SS**PPolyproline II helixtrans-68117.2177.528.2-31.4000108.9S116P114-S116 PolarHBondContact O-N 3.44Å
115S57Low57.7Low121 Ų121123.9 Ų123.985%0.84679%0.792SS**  trans-63106.3171.2-1720000108.3P113 G117P113-S115 PolarHBondContact O-N 3.45Å; S115-G117 PolarHBondContact O-N 3.18Å
116S51.5Low57.9Low103 Ų103126.5 Ų126.572%0.7279%0.794SS**  trans-46.2128.4171.444.50000110.8P114P114-S116 PolarHBondContact O-N 3.44Å
117G42.8Very low57.7Low68 Ų68129.6 Ų129.670%0.70180%0.798SS**  trans-66.1151.9-175.900000113.9S115S115-G117 PolarHBondContact O-N 3.18Å
118H54.2Low57.2Low188 Ų188129.6 Ų129.687%0.8780%0.799SS**  trans-117.2134.4149.8-83-68.5000108.6
119P46.6Very low57.1Low130 Ų130130 Ų13084%0.84480%0.801SS**  trans-89.9149.9-177.135.8-31.6000110.9
120G44.5Very low55.9Low84 Ų84130.6 Ų130.687%0.86681%0.805SS**  trans123.5114.2154.100000115.6
121G48.4Very low54.5Low72 Ų72128.2 Ų128.274%0.74280%0.802SS**  trans142.8107.6158.700000114.2
122P56Low53.5Low111 Ų111133.2 Ų133.272%0.72181%0.812SS**  trans-80.8169.6-176.135.9-34.5000112.5
123P48.9Very low52Low134 Ų134130.4 Ų130.487%0.8780%0.804SS**  trans-85.9132.7-147.133.8-32.3000111.9
124M52.1Low50.9Low171 Ų171133.8 Ų133.884%0.84281%0.81SS**  trans-133.3124.1167.756.9-173.283.600111.1
125M47.2Very low50.6Low188 Ų188132.9 Ų132.993%0.92680%0.804SS**  trans-41.9131.4178.8-67.8151.9137.500114.1
126R50.5Low49.9Very low233 Ų233132.2 Ų132.288%0.87980%0.799SS**  trans-143.5100.2159.6-77.8-176.2166-101-0.5107.7
127Q54.5Low49.6Very low178 Ų178137.4 Ų137.483%0.83281%0.805SS**  58125.290.5-67.7-164.914.500114
128P56.1Low49.5Very low116 Ų116138.1 Ų138.175%0.75381%0.812SS**PPolyproline II helixtrans-74.6149.3176.433.2-32.3000110.1
129P69.5Low48.7Very low125 Ų125132.8 Ų132.881%0.81281%0.808SS**PPolyproline II helixtrans-73.9140-173.529.3-33000111.7
130P48.9Very low48.4Very low127 Ų127130.8 Ų130.883%0.82580%0.803SS**PPolyproline II helixtrans-86.9149.5169.834.6-30.1000111
131G44.9Very low48.3Very low68 Ų68133.9 Ų133.970%0.70180%0.799SS**PPolyproline II helixtrans-72.8172.5173.800000114.4
132K51.3Low47.9Very low220 Ų220135.3 Ų135.396%0.95780%0.798SS**  trans167.5139.3161.1-91.7157.9-170-167.10105.9
133G42.4Very low47.4Very low59 Ų59141.6 Ų141.661%0.60881%0.807SS**  cis-170.9145.92.700000106.5
134Q45.5Very low47Very low188 Ų188143.9 Ų143.988%0.87981%0.808SS**  88.3160.695.8-76.8-161.6-66.700113.6
135P50.6Low47.4Very low107 Ų107141.4 Ų141.470%0.69581%0.805SS**  -142.5-173-62.339.5-19.6000113.6
136S41.9Very low47.6Very low106 Ų106138.3 Ų138.374%0.74180%0.799SS**  trans83.4136.1160.2-1340000116.1
137Y43.8Very low47.1Very low212 Ų212134.8 Ų134.883%0.83179%0.792SS**  cis-165149.730.948.9-87.9000111.2
138G41.8Very low46.5Very low84 Ų84138.4 Ų138.487%0.86680%0.799SS**  trans67.4136.6154.900000118.7
139G37Very low45.7Very low75 Ų75140.2 Ų140.277%0.77380%0.797SS**  cis151.9126.11000000108.2
140A39.8Very low44.2Very low89 Ų89139.1 Ų139.174%0.73679%0.792SS**  trans57.6107.3158.700000120.5
141N42.6Very low44Very low148 Ų148143.7 Ų143.779%0.79179%0.792SS**  161.8120.3105.7-90.1-38.8000113
142S40.5Very low43.7Very low102 Ų102150.1 Ų150.171%0.71380%0.796SS**  62.8121.7126.6-550000121.2
143R45.3Very low43.1Very low244 Ų244146.9 Ų146.992%0.92179%0.789SS**  trans95.5103.2149-70.2177.4174.4-179.1-2.2118.4
144M40.5Very low42.8Very low182 Ų182149.3 Ų149.390%0.89780%0.797SS**PPolyproline II helixtrans-61.2151162.7-60.5-171.8161.700112.8
145P60.2Low42.7Very low118 Ų118145.7 Ų145.777%0.76679%0.789SS**PPolyproline II helixtrans-87.3147.1152.632.9-26.5000110.6
146P51.7Low42.1Very low124 Ų124146.4 Ų146.481%0.80580%0.797SS**PPolyproline II helixtrans-81.4140-162.831.6-33.3000113.2
147Q40.6Very low41.9Very low158 Ų158144.8 Ų144.874%0.73880%0.797SS**PPolyproline II helixtrans-61.7134.8162.9-69-158.4-42.200110.4H149Q147-H149 VanDerWaalsContact C-N 3.32Å; Q147-H149 PolarHBondContact O-N 3.01Å; Q147-H149 PolarHBondContact O-ND1 2.84Å
148R40.9Very low41.8Very low255 Ų255142.6 Ų142.696%0.96279%0.794SS**  trans-73.987176.2-153.2178.6-163.1-85.82.9108.3S150R148-S150 PolarHBondContact O-N 3.46Å
149H40Very low41.6Very low154 Ų154145.8 Ų145.871%0.71379%0.787SS**  trans-65.2125.5175.9-63.8109.6000110.5Q147 R151Q147-H149 VanDerWaalsContact C-N 3.32Å; Q147-H149 PolarHBondContact O-N 3.01Å; Q147-H149 PolarHBondContact O-ND1 2.84Å; H149-R151 PolarHBondContact O-N 2.7Å
150S38.4Very low41.9Very low101 Ų101148.2 Ų148.271%0.70678%0.782SS**  trans-54.3132.3162.9-62.20000109.1R148 W152R148-S150 PolarHBondContact O-N 3.46Å; S150-W152 PolarHBondContact O-N 2.91Å
151R44.6Very low42Very low223 Ų223151.7 Ų151.784%0.84279%0.788SS**SBendtrans-64.58.5-175.6-166.6175.9-170.8-150.31.8114.8H149H149-R151 PolarHBondContact O-N 2.7Å
152W39.2Very low41.9Very low203 Ų203148.1 Ų148.177%0.76979%0.786SS**SBendtrans-13994.4-175.9-49.1100.3000104.4S150S150-W152 PolarHBondContact O-N 2.91Å
153D38.8Very low41.7Very low153 Ų153146.7 Ų146.782%0.81879%0.788SS**  trans160.4105.5150.4-81-47.4000112
154S35.7Very low41.5Very low110 Ų110145.7 Ų145.777%0.76978%0.784SS**  trans77164.8143.4-59.20000120.3
155P43.3Very low41.3Very low111 Ų111145.3 Ų145.372%0.72178%0.782SS**  cis-141.3173.6-37.235.3-16.4000114.5
156S37.1Very low40.6Very low122 Ų122148 Ų14885%0.85379%0.786SS**  trans64.612015261.90000121.6
157G38.8Very low40Very low72 Ų72149.4 Ų149.474%0.74279%0.787SS**  trans162.574.5168.200000108.6
158Q40.3Very low40.1Very low166 Ų166149.8 Ų149.878%0.77679%0.794SS**  68106.683.6-158.4171.470.900111.1
159Q38.2Very low39.9Very low151 Ų151148 Ų14871%0.70679%0.788SS**  trans72.4123146-74171.445.100114.4
160D43.7Very low40Very low126 Ų126147.7 Ų147.767%0.67479%0.791SS**  cis-169.5157.234.2-65.9-55.1000112.1
161D42Very low40.1Very low162 Ų162154.1 Ų154.187%0.86680%0.8SS**  trans55121.5145.8-77.3-73.7000124.1
162G39.2Very low39.9Very low73 Ų73149.1 Ų149.175%0.75380%0.799SS**  120.458115.800000121
163G36.5Very low39.9Very low72 Ų72142.9 Ų142.974%0.74280%0.798SS**  80.8147.2121.600000123.3
164R42.7Very low40.2Very low223 Ų223142 Ų14284%0.84280%0.804SS**  trans82.297.9149.1-48.8-171.3-166.1-172.35116
165M36Very low40.5Very low175 Ų175139.7 Ų139.786%0.86280%0.797SS**  46.2108.770-46.4-173.1-160.700112.9
166M45.7Very low40.6Very low173 Ų173145.2 Ų145.285%0.85281%0.806SS**  trans-172.9112.2145.9-99.8154.7-160.300111.5
167D38.1Very low41.3Very low154 Ų154144.3 Ų144.382%0.82480%0.797SS**  trans-48.8144.6154.5-57.1-92.5000111.6
168N43.3Very low41.5Very low167 Ų167150 Ų15089%0.89380%0.804SS**  trans-150.497.1151-95.2-24.9000110
169R36.9Very low41.5Very low217 Ų217146 Ų14682%0.81981%0.807SS**  trans-61.4163144.9-77.1177.1174.2153.4-0.4109
170D42.3Very low41.7Very low147 Ų147142 Ų14279%0.78681%0.807SS**  trans85.992.7159.8-47.4-49000117.9
171R39.9Very low41.6Very low237 Ų237144.7 Ų144.789%0.89482%0.819SS**  trans177.694.8131.6-106.9167.3170.6167-0.9110.1
172S39.7Very low41.5Very low117 Ų117140.1 Ų140.182%0.81881%0.811SS**  63.7124.379.974.20000114.9
173G40.4Very low41.8Very low73 Ų73143.3 Ų143.375%0.75382%0.818SS**  trans129.585.4167.600000112.8
174S44.8Very low42Very low133 Ų133143.2 Ų143.293%0.9382%0.817SS**  81.8125.695.8-165.90000112.1
175G41.7Very low42.3Very low62 Ų62142.2 Ų142.264%0.63982%0.819SS**  cis-172.6140.57.300000110.2
176Y44.4Very low42.5Very low228 Ų228145.9 Ų145.989%0.89482%0.823SS**  trans-15.1-178.5150.8-54.8-79.3000120.2
177P53.4Low42.3Very low102 Ų102140.5 Ų140.566%0.66281%0.812SS**  -146-162.2-50.341.3-22.6000112.4
178Q43Very low42.5Very low191 Ų191140.8 Ų140.889%0.89381%0.814SS**  trans118.6126.8130-126.1-179.352.500118.8
179G39.5Very low42.3Very low82 Ų82138.8 Ų138.885%0.84581%0.807SS**  trans99.4121.3156.600000114.1
180G42Very low42.7Very low68 Ų68139.1 Ų139.170%0.70181%0.81SS**  cis135.3112.712.900000109.7
181I42.9Very low42.8Very low182 Ų182140.5 Ų140.593%0.93381%0.812SS**  trans71.8119.2141.7-49164.5000118.7
182G40Very low42.9Very low67 Ų67136.1 Ų136.169%0.69181%0.806SS**  trans128.4121.3138.600000117.2
183P43.7Very low43Very low140 Ų140139.8 Ų139.891%0.90981%0.81SS**  trans-92133.6-17835.2-28.8000111.6
184G42.5Very low42.8Very low70 Ų70139 Ų13972%0.72280%0.802SS**  trans164.6100.2172.300000115.9
185K47.3Very low42.7Very low201 Ų201139.9 Ų139.987%0.87480%0.797SS**  trans42.1103.3139.8-51.4-165.8-178.4-157.60118.1
186R41.7Very low43.1Very low252 Ų252143.1 Ų143.195%0.95181%0.809SS**  trans171.7110.4137.6-91.9162.3-142.8-157.35.5103.5
187G41.5Very low43.1Very low61 Ų61134.6 Ų134.663%0.62979%0.791SS**  93.2126.468.800000106.1
188D42.4Very low42.6Very low160 Ų160140.4 Ų140.486%0.85680%0.801SS**  trans97.6117.3166.3-41.6-46.5000116.7
189V39Very low42.3Very low124 Ų124134.8 Ų134.875%0.75279%0.794SS**  trans84.563.5158.5-152.40000117.8
190Y44.6Very low42.6Very low224 Ų224137.2 Ų137.288%0.87879%0.793SS**  trans-123.193.2136.7-88.9-82.7000108.2
191Q44.2Very low42.8Very low177 Ų177142.6 Ų142.683%0.82780%0.797SS**  trans-69.9141.2160.9-157.8149.515.100107
192D43Very low42.8Very low144 Ų144139.1 Ų139.177%0.7779%0.786SS**  trans84.467.9167.7-138.3-110.6000117.5
193Q41.4Very low43Very low194 Ų194141.1 Ų141.191%0.90779%0.787SS**  trans-13567.4150.6-84.4-176.958.200109
194G36Very low42.9Very low56 Ų56140 Ų14058%0.57777%0.774SS**  trans-128.5136157.800000106.6
195D42.9Very low42.8Very low153 Ų153140.8 Ų140.882%0.81877%0.768SS**  trans84.883.7176.4-149.149.2000117.2
196S49.6Very low42.8Very low130 Ų130136.3 Ų136.391%0.90976%0.761SS**  trans-134.155.7145.1-73.60000107.7
197G44.6Very low43.1Very low49 Ų49129.8 Ų129.851%0.50575%0.746SS.*  trans-62.5139.1160.100000108.7G199G197-G199 PolarHBondContact O-N 2.81Å
198Y42.2Very low43.8Very low224 Ų224131.7 Ų131.788%0.87875%0.745SS**  trans-17.9105.7170.1-65.9-90.2000112.7T200Y198-T200 VanDerWaalsContact C-N 3.26Å; Y198-T200 PolarHBondContact O-N 3.2Å; Y198-T200 PolarHBondContact O-OG1 2.71Å
199G36.8Very low45.3Very low72 Ų72125.7 Ų125.774%0.74271%0.713SS**  trans-51.495.7173.400000108.9G197 K201G197-G199 PolarHBondContact O-N 2.81Å; G199-K201 PolarHBondContact O-N 3.46Å
200T45.4Very low47.7Very low134 Ų134122.3 Ų122.382%0.82269%0.691SS**  trans-66.1100.7165.1-53.70000102.4Y198 P202Y198-T200 VanDerWaalsContact C-N 3.26Å; Y198-T200 PolarHBondContact O-N 3.2Å; Y198-T200 PolarHBondContact O-OG1 2.71Å; T200-P202 VanDerWaalsContact O-N 3.15Å
201K46.7Very low50Low181 Ų181112.6 Ų112.679%0.78766%0.657SS**  trans-39.3125.2177.5-44.4176.7-175.9-171.50106.7G199G199-K201 PolarHBondContact O-N 3.46Å
202P42.5Very low52.3Low108 Ų108104.2 Ų104.270%0.70162%0.617SS**  trans-47.4140.1166.9-20.630.6000106.9T200 D204T200-P202 VanDerWaalsContact O-N 3.15Å; P202-D204 PolarHBondContact O-N 3.37Å
203P45.5Very low54.7Low109 Ų10999.2 Ų99.271%0.70859%0.589SS**  trans-53.9113.3173.724.5-31.6000105.4S205P203-S205 PolarHBondContact O-N 2.93Å; P203-S205 PolarHBondContact O-OG 3.43Å
204D40.5Very low57.2Low118 Ų11890 Ų9063%0.63155%0.546SS*.  trans-63.880172.5-176.78.7000106.5P202P202-D204 PolarHBondContact O-N 3.37Å
205S42.2Very low59.8Low86 Ų8690.9 Ų90.960%0.60154%0.535SS*.  trans-89.2113.9172.4-47.50000101.8P203P203-S205 PolarHBondContact O-N 2.93Å; P203-S205 PolarHBondContact O-OG 3.43Å
206S46.6Very low62Low106 Ų10684.5 Ų84.574%0.74151%0.506SS*.  trans102.87.9160.681.80000121.6V208S206-V208 PolarHBondContact O-N 2.87Å
207D47.6Very low63.8Low116 Ų11678.8 Ų78.862%0.6247%0.465SS*.SBendtrans-69.881.4154.2-83.4-10.7000108.3N209D207-N209 VanDerWaalsContact C-N 3.3Å; D207-N209 VanDerWaalsContact O-CG 3.28Å; D207-N209 PolarHBondContact O-N 2.75Å; D207-N209 PolarHBondContact O-OD1 2.86Å
208V57Low65.6Low100 Ų10076.9 Ų76.961%0.60644%0.443SS*.  trans-19.977.8-179.6-83.30000114.2S206 N210 P268S206-V208 PolarHBondContact O-N 2.87Å; V208-N210 PolarHBondContact O-N 2.76Å; V208-N210 PolarHBondContact O-OD1 2.92Å; V208-P268 HydrophobicContact CB-CB 3.56Å; V208-P268 HydrophobicContact CB-CG 3.85Å; V208-P268 HydrophobicContact CG1-CB 3.63Å; V208-P268 HydrophobicContact CG1-CG 3.71Å
209N73.9Confident67.4Low35 Ų3570.9 Ų70.919%0.18743%0.427CS..  trans-73.797.6177.7-76.6-43.3000107.7D207 A211 A271 Y294 T297D207-N209 VanDerWaalsContact C-N 3.3Å; D207-N209 VanDerWaalsContact O-CG 3.28Å; D207-N209 PolarHBondContact O-N 2.75Å; D207-N209 PolarHBondContact O-OD1 2.86Å; N209-A211 PolarHBondContact O-N 3.05Å; N209-A271 VanDerWaalsContact O-CB 3.3Å; N209-A271 WeakPolarHBondContact O-CB 3.26Å; N209-Y294 HydrophobicContact CB-CD1 3.83Å; N209-Y294 HydrophobicContact CB-CG 4.4Å; N209-T297 VanDerWaalsContact OD1-CG2 3.27Å; N209-T297 WeakPolarHBondContact OD1-CG2 3.3Å
210N89Confident69.2Low53 Ų5372 Ų7228%0.28341%0.413SS..  trans-62.2-9.1172-65-14.4000112.4V208 F265 P268V208-N210 PolarHBondContact O-N 2.76Å; V208-N210 PolarHBondContact O-OD1 2.92Å; N210-F265 WeakPolarHBondContact O-CB 3.31Å; N210-F265 PolarHBondContact O-N 3.48Å; N210-P268 WeakPolarHBondContact OD1-CA 3.24Å; N210-P268 WeakPolarHBondContact OD1-CB 3.39Å; N210-P268 WeakPolarHBondContact OD1-CD 2.96Å
211A91.7Very high70.8Confident20 Ų2065.7 Ų65.717%0.16538%0.375CS..EExtended strand (participates in β ladder)trans-110.3137.2-178.900000111.9N209 L262 V263 A295N209-A211 PolarHBondContact O-N 3.05Å; A211-L262 HydrophobicContact CB-CD2 4.27Å; A211-V263 CarbonylContact C-O 3.5Å; A211-V263 VanDerWaalsContact CA-O 3.22Å; A211-V263 WeakPolarHBondContact CA-O 3.24Å; A211-A295 HydrophobicContact CB-CB 3.74Å; A211-A295 VanDerWaalsContact O-CB 3.25Å; A211-A295 WeakPolarHBondContact O-CB 3.36Å; A211-A295 PolarHBondContact O-N 2.96Å
212I93.9Very high72.6Confident0 Ų060.6 Ų60.60%036%0.357CS..EExtended strand (participates in β ladder)trans-108.4146.7171.663.1168.8000109.9I214 F230 L262 V263 F265 A271 A274 I275 V292 T293I212-I214 HydrophobicContact CD1-CD1 3.97Å; I212-I214 HydrophobicContact CD1-CG1 3.99Å; I212-I214 HydrophobicContact CG1-CD1 4.26Å; I212-I214 HydrophobicContact CG1-CG1 4.28Å; I212-F230 HydrophobicContact CD1-CD1 3.51Å; I212-F230 HydrophobicContact CD1-CE1 3.6Å; I212-F230 HydrophobicContact CD1-CG 4.32Å; I212-F230 HydrophobicContact CD1-CZ 4.49Å; I212-L262 WeakPolarHBondContact O-CA 3.44Å; I212-V263 HydrophobicContact CD1-CB 4.26Å; I212-V263 HydrophobicContact CG1-CB 3.82Å; I212-V263 PolarHBondContact N-O 2.93Å; I212-V263 PolarHBondContact O-N 2.93Å; I212-F265 HydrophobicContact CD1-CE2 3.6Å; I212-F265 HydrophobicContact CD1-CZ 4.07Å; I212-F265 HydrophobicContact CG1-CE2 3.75Å; I212-F265 HydrophobicContact CG2-CD2 4.46Å; I212-F265 HydrophobicContact CG2-CE2 4.08Å; I212-A271 HydrophobicContact CG2-CB 3.78Å; I212-A274 HydrophobicContact CD1-CB 3.96Å; I212-I275 HydrophobicContact CG2-CD1 4.15Å; I212-I275 HydrophobicContact CG2-CG1 4.02Å; I212-V292 HydrophobicContact CB-CG1 4.11Å; I212-V292 HydrophobicContact CD1-CG1 3.77Å; I212-V292 HydrophobicContact CG1-CG1 4.44Å; I212-T293 CarbonylContact C-O 3.57Å; I212-T293 WeakPolarHBondContact CA-O 3.11Å
213F93.9Very high74.8Confident40 Ų4057.1 Ų57.118%0.17534%0.337CS..EExtended strand (participates in β ladder)trans-108.3128.7170.7-171.2-98.7000109.1Q215 Y249 E260 T293 A295F213-Q215 HydrophobicContact CD1-CG 3.91Å; F213-Q215 HydrophobicContact CE1-CG 3.48Å; F213-Q215 VanDerWaalsContact CE1-CG 3.48Å; F213-Y249 HydrophobicContact CD2-CE2 4.3Å; F213-Y249 HydrophobicContact CE2-CD2 4.02Å; F213-Y249 AromaticContact CE2-CE2 3.58Å; F213-Y249 HydrophobicContact CE2-CE2 3.58Å; F213-E260 HydrophobicContact CE1-CG 4.47Å; F213-E260 HydrophobicContact CZ-CB 3.93Å; F213-E260 HydrophobicContact CZ-CG 4.13Å; F213-T293 PolarHBondContact N-O 2.81Å; F213-T293 PolarHBondContact O-N 3.31Å; F213-T293 PolarHBondContact O-OG1 2.96Å; F213-A295 HydrophobicContact CB-CB 4.33Å
214I93Very high76.9Confident0 Ų059.2 Ų59.20%034%0.337CS..EExtended strand (participates in β ladder)trans-118.9132.9-174.5-52.9142.3000108.4I212 I217 V226 F230 E260 A261 V263 M290 K291 V292I212-I214 HydrophobicContact CD1-CD1 3.97Å; I212-I214 HydrophobicContact CD1-CG1 3.99Å; I212-I214 HydrophobicContact CG1-CD1 4.26Å; I212-I214 HydrophobicContact CG1-CG1 4.28Å; I214-I217 HydrophobicContact CB-CD1 3.85Å; I214-I217 HydrophobicContact CB-CG1 4.44Å; I214-I217 HydrophobicContact CD1-CD1 4.42Å; I214-I217 HydrophobicContact CG2-CD1 3.57Å; I214-I217 HydrophobicContact CG2-CG1 3.65Å; I214-V226 HydrophobicContact CD1-CG1 4.32Å; I214-F230 HydrophobicContact CB-CZ 4.36Å; I214-F230 HydrophobicContact CD1-CD1 4.33Å; I214-F230 HydrophobicContact CD1-CD2 3.77Å; I214-F230 HydrophobicContact CD1-CE1 3.89Å; I214-F230 HydrophobicContact CD1-CE2 3.29Å; I214-F230 HydrophobicContact CD1-CG 4.28Å; I214-F230 HydrophobicContact CD1-CZ 3.36Å; I214-F230 HydrophobicContact CG1-CE1 4.01Å; I214-F230 HydrophobicContact CG1-CE2 3.97Å; I214-F230 HydrophobicContact CG1-CZ 3.52Å; I214-F230 HydrophobicContact CG2-CE2 4.28Å; I214-F230 HydrophobicContact CG2-CZ 3.9Å; I214-E260 CarbonylContact O-C 3.58Å; I214-E260 VanDerWaalsContact O-CA 3.24Å; I214-E260 WeakPolarHBondContact O-CA 3.45Å; I214-A261 PolarHBondContact N-O 2.96Å; I214-A261 PolarHBondContact O-N 3.04Å; I214-V263 HydrophobicContact CD1-CB 4.26Å; I214-V263 HydrophobicContact CD1-CG2 3.49Å; I214-V263 VanDerWaalsContact CD1-CG2 3.49Å; I214-M290 HydrophobicContact CG2-CB 4.49Å; I214-M290 HydrophobicContact CG2-SD 4.16Å; I214-K291 CarbonylContact C-O 3.52Å; I214-K291 WeakPolarHBondContact CA-O 3.49Å; I214-V292 HydrophobicContact CG1-CG1 4.24Å; I214-V292 HydrophobicContact CG1-CG2 4.39Å; I214-V292 HydrophobicContact CG2-CG2 4.29Å
215Q91.3Very high79.3Confident74 Ų7454.8 Ų54.835%0.34631%0.313SS..EExtended strand (participates in β ladder)trans-119.8148.5172.3-55.2176.8-2.800109.1F213 G259 E260 M290 K291F213-Q215 HydrophobicContact CD1-CG 3.91Å; F213-Q215 HydrophobicContact CE1-CG 3.48Å; F213-Q215 VanDerWaalsContact CE1-CG 3.48Å; Q215-G259 CarbonylContact C-O 3.54Å; Q215-E260 HydrophobicContact CG-CG 4.32Å; Q215-M290 CarbonylContact O-C 3.54Å; Q215-M290 WeakPolarHBondContact O-CA 3.41Å; Q215-K291 HydrophobicContact CB-CB 4.26Å; Q215-K291 PolarHBondContact N-O 3.49Å; Q215-K291 PolarHBondContact O-N 3Å
216G88Confident81.7Confident20 Ų2050.7 Ų50.721%0.20629%0.285CS..  trans92.326.7178.200000114.6G259G216-G259 PolarHBondContact N-O 3.48Å
217I88.6Confident83.9Confident10 Ų1046.1 Ų46.15%0.05125%0.253CS..  trans-86.9145.5175.9-60.7173.8000109.4I214 A221 V226 G259 A261 M290I214-I217 HydrophobicContact CB-CD1 3.85Å; I214-I217 HydrophobicContact CB-CG1 4.44Å; I214-I217 HydrophobicContact CD1-CD1 4.42Å; I214-I217 HydrophobicContact CG2-CD1 3.57Å; I214-I217 HydrophobicContact CG2-CG1 3.65Å; I217-A221 HydrophobicContact CG2-CB 3.16Å; I217-V226 HydrophobicContact CD1-CG1 4.44Å; I217-V226 HydrophobicContact CD1-CG2 4.21Å; I217-V226 HydrophobicContact CG2-CG2 4.15Å; I217-G259 PolarHBondContact N-O 2.9Å; I217-G259 WeakPolarHBondContact O-CA 3.14Å; I217-A261 HydrophobicContact CD1-CB 3.38Å; I217-M290 HydrophobicContact CG1-SD 4.49Å
218P82.5Confident86Confident9 Ų944.9 Ų44.96%0.05824%0.244CC..  trans-66.7159177.817.9-23.1000113.3M220 A221 F283 C286P218-M220 HydrophobicContact CB-CG 3.84Å; P218-M220 HydrophobicContact CG-CG 4.23Å; P218-M220 PolarHBondContact O-N 3.44Å; P218-A221 HydrophobicContact CG-CB 4.13Å; P218-A221 WeakPolarHBondContact O-CB 3.37Å; P218-A221 PolarHBondContact O-N 3.47Å; P218-A221 VanDerWaalsContact O-N 3.12Å; P218-F283 HydrophobicContact CG-CD1 3.39Å; P218-F283 HydrophobicContact CG-CE1 3.8Å; P218-F283 HydrophobicContact CG-CG 4.34Å; P218-C286 WeakPolarHBondContact CA-SG 3.21Å; P218-C286 WeakPolarHBondContact CB-SG 3.34Å; P218-C286 WeakPolarHBondContact CD-SG 3.05Å; P218-C286 VanDerWaalsContact N-SG 3.36Å
219D79Confident87.7Confident98 Ų9842.1 Ų42.152%0.52422%0.223SC..THydrogen-bonded Turntrans-67.4-13.3173.965-19.4000113.9P257D219-P257 VanDerWaalsContact O-CD 3.24Å; D219-P257 WeakPolarHBondContact O-CD 3.22Å; D219-P257 WeakPolarHBondContact O-CG 3.49Å
220M74.8Confident88.6Confident94 Ų9440.4 Ų40.446%0.46321%0.214SC..THydrogen-bonded Turntrans-91.9-3.7172.556179-77.600114.2Y10 P218 D222Y10-M220 HydrophobicContact CD1-CE 4.36Å; Y10-M220 HydrophobicContact CD2-CE 4.35Å; Y10-M220 HydrophobicContact CE1-CE 4.3Å; Y10-M220 HydrophobicContact CE2-CE 4.28Å; Y10-M220 HydrophobicContact CG-CE 4.38Å; P218-M220 HydrophobicContact CB-CG 3.84Å; P218-M220 HydrophobicContact CG-CG 4.23Å; P218-M220 PolarHBondContact O-N 3.44Å; M220-D222 PolarHBondContact O-N 2.86Å
221A78.2Confident88.8Confident2 Ų240.9 Ų40.92%0.01722%0.221CC..  trans-81.2110-177.100000112.3I217 P218 V226 F283I217-A221 HydrophobicContact CG2-CB 3.16Å; P218-A221 HydrophobicContact CG-CB 4.13Å; P218-A221 WeakPolarHBondContact O-CB 3.37Å; P218-A221 PolarHBondContact O-N 3.47Å; P218-A221 VanDerWaalsContact O-N 3.12Å; A221-V226 HydrophobicContact CB-CG2 4.03Å; A221-F283 HydrophobicContact CB-CE1 4.16Å; A221-F283 HydrophobicContact CB-CZ 4.34Å
222D85.4Confident88.8Confident75 Ų7544.5 Ų44.540%0.40124%0.235SC..  trans-80.9162.5168.2-83.9-35.3000112M220 Q224 I225 V226M220-D222 PolarHBondContact O-N 2.86Å; D222-Q224 PolarHBondContact O-N 3.5Å; D222-Q224 VanDerWaalsContact O-N 3.09Å; D222-I225 HydrophobicContact CB-CD1 4.45Å; D222-I225 HydrophobicContact CB-CG1 4.42Å; D222-I225 PolarHBondContact O-N 3.19Å; D222-V226 PolarHBondContact O-N 2.99Å; D222-V226 VanDerWaalsContact O-N 3.08Å
223A89Confident88.7Confident35 Ų3545.4 Ų45.429%0.28924%0.242SC..Hα-helixtrans-54.2-31.7179.300000113.1A227 V246 V248A223-A227 VanDerWaalsContact O-CB 3.28Å; A223-A227 WeakPolarHBondContact O-CB 3.45Å; A223-A227 PolarHBondContact O-N 2.98Å; A223-V246 HydrophobicContact CB-CB 4.22Å; A223-V246 HydrophobicContact CB-CG1 4.18Å; A223-V248 HydrophobicContact CB-CG2 4.13Å
224Q89.9Confident88.6Confident152 Ų15244.1 Ų44.171%0.7124%0.24SC*.Hα-helixtrans-71.2-41.4176.9-65.2-162.4-72.800112.9D222 V226 A227 E228D222-Q224 PolarHBondContact O-N 3.5Å; D222-Q224 VanDerWaalsContact O-N 3.09Å; Q224-V226 VanDerWaalsContact C-N 3.34Å; Q224-A227 WeakPolarHBondContact O-CB 3.19Å; Q224-A227 PolarHBondContact O-N 3.45Å; Q224-E228 WeakPolarHBondContact O-CB 3.38Å; Q224-E228 PolarHBondContact O-N 2.9Å
225I90.3Very high88.6Confident26 Ų2650.1 Ų50.113%0.13327%0.268CS..Hα-helixtrans-66.3-43.4179.5-51.5178.1000109.4Y7 D222 A227 E228 Y229 F283Y7-I225 HydrophobicContact CD2-CD1 3.64Å; Y7-I225 HydrophobicContact CD2-CG1 4.2Å; Y7-I225 HydrophobicContact CE2-CB 4.33Å; Y7-I225 HydrophobicContact CE2-CD1 3.29Å; Y7-I225 HydrophobicContact CE2-CG1 3.43Å; Y7-I225 VanDerWaalsContact CE2-CG1 3.43Å; Y7-I225 HydrophobicContact CE2-CG2 4.02Å; D222-I225 HydrophobicContact CB-CD1 4.45Å; D222-I225 HydrophobicContact CB-CG1 4.42Å; D222-I225 PolarHBondContact O-N 3.19Å; I225-A227 VanDerWaalsContact C-N 3.32Å; I225-A227 PolarHBondContact O-N 2.65Å; I225-E228 PolarHBondContact O-N 3.45Å; I225-Y229 WeakPolarHBondContact O-CB 3.45Å; I225-Y229 PolarHBondContact O-N 2.84Å; I225-F283 HydrophobicContact CG2-CE1 4.22Å; I225-F283 HydrophobicContact CG2-CZ 3.9Å
226V92.1Very high88.7Confident0 Ų047.4 Ų47.40%026%0.256CS..Hα-helixtrans-61.5-43174178.40000110.2I214 I217 A221 D222 Q224 Y229 F230 V246 V248 A261 V263I214-V226 HydrophobicContact CD1-CG1 4.32Å; I217-V226 HydrophobicContact CD1-CG1 4.44Å; I217-V226 HydrophobicContact CD1-CG2 4.21Å; I217-V226 HydrophobicContact CG2-CG2 4.15Å; A221-V226 HydrophobicContact CB-CG2 4.03Å; D222-V226 PolarHBondContact O-N 2.99Å; D222-V226 VanDerWaalsContact O-N 3.08Å; Q224-V226 VanDerWaalsContact C-N 3.34Å; V226-Y229 PolarHBondContact O-N 2.82Å; V226-F230 HydrophobicContact CG1-CD2 3.79Å; V226-F230 HydrophobicContact CG1-CE2 4.14Å; V226-F230 WeakPolarHBondContact O-CD2 3.25Å; V226-F230 PolarHBondContact O-N 3.37Å; V226-V246 HydrophobicContact CB-CG1 4.03Å; V226-V246 HydrophobicContact CG1-CG1 3.81Å; V226-V248 HydrophobicContact CG2-CG2 4.42Å; V226-A261 HydrophobicContact CG1-CB 4.29Å; V226-V263 HydrophobicContact CG1-CG2 3.71Å
227A92.9Very high88.9Confident10 Ų1049.1 Ų49.18%0.08326%0.259CS..Hα-helixtrans-62.4-45.7176.500000112.4A223 Q224 I225 Y229 F230 S231 I236 P244 V246A223-A227 VanDerWaalsContact O-CB 3.28Å; A223-A227 WeakPolarHBondContact O-CB 3.45Å; A223-A227 PolarHBondContact O-N 2.98Å; Q224-A227 WeakPolarHBondContact O-CB 3.19Å; Q224-A227 PolarHBondContact O-N 3.45Å; I225-A227 VanDerWaalsContact C-N 3.32Å; I225-A227 PolarHBondContact O-N 2.65Å; A227-Y229 VanDerWaalsContact C-N 3.34Å; A227-Y229 PolarHBondContact O-N 3.2Å; A227-F230 PolarHBondContact O-N 3Å; A227-S231 WeakPolarHBondContact O-CB 3.15Å; A227-S231 PolarHBondContact O-N 3Å; A227-I236 HydrophobicContact CB-CD1 3.92Å; A227-I236 WeakPolarHBondContact O-CD1 3.12Å; A227-P244 HydrophobicContact CB-CB 3.61Å; A227-P244 HydrophobicContact CB-CG 3.49Å; A227-P244 VanDerWaalsContact CB-CG 3.49Å; A227-V246 HydrophobicContact CB-CG2 3.96Å
228E92.1Very high89Confident90 Ų9054.1 Ų54.142%0.42129%0.285SS..Hα-helixtrans-59.8-44.8178.2-172.6176.617900111.1Y7 M11 Q224 I225 S231Y7-E228 PolarHBondContact OH-OE2 3.36Å; M11-E228 WeakPolarHBondContact CE-OE1 3.35Å; Q224-E228 WeakPolarHBondContact O-CB 3.38Å; Q224-E228 PolarHBondContact O-N 2.9Å; I225-E228 PolarHBondContact O-N 3.45Å; E228-S231 PolarHBondContact O-N 2.86Å; E228-S231 PolarHBondContact O-OG 3.17Å
229Y91.8Very high89.3Confident41 Ų4156.7 Ų56.716%0.16130%0.298CS..Hα-helixtrans-65.8-48.8179.2-171-100.4000112.8I225 V226 A227 S231 Q232 F278 F283 P284 M290I225-Y229 WeakPolarHBondContact O-CB 3.45Å; I225-Y229 PolarHBondContact O-N 2.84Å; V226-Y229 PolarHBondContact O-N 2.82Å; A227-Y229 VanDerWaalsContact C-N 3.34Å; A227-Y229 PolarHBondContact O-N 3.2Å; Y229-S231 VanDerWaalsContact C-N 3.3Å; Y229-S231 PolarHBondContact O-N 3.46Å; Y229-Q232 WeakPolarHBondContact O-CG 3.3Å; Y229-Q232 PolarHBondContact O-N 3.16Å; Y229-F278 HydrophobicContact CD1-CD1 4.35Å; Y229-F278 HydrophobicContact CD1-CE1 4.12Å; Y229-F278 HydrophobicContact CD1-CZ 4.43Å; Y229-F278 AromaticContact CE1-CD1 3.39Å; Y229-F278 HydrophobicContact CE1-CD1 3.39Å; Y229-F278 AromaticContact CE1-CE1 3.42Å; Y229-F278 HydrophobicContact CE1-CE1 3.42Å; Y229-F278 VanDerWaalsContact CE1-CE1 3.42Å; Y229-F278 HydrophobicContact CE1-CG 4.1Å; Y229-F278 HydrophobicContact CE1-CZ 4.14Å; Y229-F278 HydrophobicContact CE2-CE1 4.36Å; Y229-F278 AromaticContact CZ-CD1 3.72Å; Y229-F278 AromaticContact CZ-CE1 3.57Å; Y229-F283 HydrophobicContact CD1-CD2 4.07Å; Y229-F283 AromaticContact CD1-CE2 3.89Å; Y229-F283 HydrophobicContact CD1-CE2 3.89Å; Y229-F283 HydrophobicContact CD2-CE2 4.45Å; Y229-F283 HydrophobicContact CE1-CD2 4.28Å; Y229-F283 HydrophobicContact CG-CD2 4.31Å; Y229-F283 AromaticContact CG-CE2 3.83Å; Y229-F283 HydrophobicContact CG-CE2 3.83Å; Y229-P284 HydrophobicContact CD2-CG 4.46Å; Y229-M290 HydrophobicContact CE1-CE 3.68Å
230F93.1Very high89.5Confident0 Ų060 Ų600%032%0.316CS..Hα-helixtrans-77.1-14.7-178.7-78-82.8000113.6I212 I214 V226 A227 Q232 A233 I236 V263 F265 A274 F278 M290 V292I212-F230 HydrophobicContact CD1-CD1 3.51Å; I212-F230 HydrophobicContact CD1-CE1 3.6Å; I212-F230 HydrophobicContact CD1-CG 4.32Å; I212-F230 HydrophobicContact CD1-CZ 4.49Å; I214-F230 HydrophobicContact CB-CZ 4.36Å; I214-F230 HydrophobicContact CD1-CD1 4.33Å; I214-F230 HydrophobicContact CD1-CD2 3.77Å; I214-F230 HydrophobicContact CD1-CE1 3.89Å; I214-F230 HydrophobicContact CD1-CE2 3.29Å; I214-F230 HydrophobicContact CD1-CG 4.28Å; I214-F230 HydrophobicContact CD1-CZ 3.36Å; I214-F230 HydrophobicContact CG1-CE1 4.01Å; I214-F230 HydrophobicContact CG1-CE2 3.97Å; I214-F230 HydrophobicContact CG1-CZ 3.52Å; I214-F230 HydrophobicContact CG2-CE2 4.28Å; I214-F230 HydrophobicContact CG2-CZ 3.9Å; V226-F230 HydrophobicContact CG1-CD2 3.79Å; V226-F230 HydrophobicContact CG1-CE2 4.14Å; V226-F230 WeakPolarHBondContact O-CD2 3.25Å; V226-F230 PolarHBondContact O-N 3.37Å; A227-F230 PolarHBondContact O-N 3Å; F230-Q232 PolarHBondContact O-N 2.87Å; F230-A233 PolarHBondContact O-N 3.32Å; F230-A233 VanDerWaalsContact O-N 3.16Å; F230-I236 HydrophobicContact CB-CD1 4.27Å; F230-V263 HydrophobicContact CB-CG1 4.36Å; F230-V263 HydrophobicContact CD2-CG2 4.36Å; F230-V263 HydrophobicContact CG-CG2 4.47Å; F230-F265 HydrophobicContact CB-CZ 4.25Å; F230-A274 HydrophobicContact CD1-CB 4.42Å; F230-F278 AromaticContact CD1-CD2 3.71Å; F230-F278 HydrophobicContact CD1-CD2 3.71Å; F230-F278 HydrophobicContact CD1-CE2 4.03Å; F230-F278 HydrophobicContact CD1-CG 4.43Å; F230-F278 HydrophobicContact CE1-CB 3.95Å; F230-F278 AromaticContact CE1-CD2 3.7Å; F230-F278 HydrophobicContact CE1-CD2 3.7Å; F230-F278 HydrophobicContact CE1-CE2 4.42Å; F230-F278 HydrophobicContact CE1-CG 4.01Å; F230-F278 HydrophobicContact CZ-CB 4.47Å; F230-M290 HydrophobicContact CZ-SD 4.45Å; F230-V292 HydrophobicContact CE1-CG1 4.43Å; F230-V292 HydrophobicContact CE1-CG2 4.23Å; F230-V292 HydrophobicContact CZ-CG2 4.27Å
231S93.2Very high89.8Confident63 Ų6366.4 Ų66.444%0.44134%0.335SS..THydrogen-bonded Turntrans-61.8-21.8173.773.50000113.2A227 E228 Y229 A233 G234A227-S231 WeakPolarHBondContact O-CB 3.15Å; A227-S231 PolarHBondContact O-N 3Å; E228-S231 PolarHBondContact O-N 2.86Å; E228-S231 PolarHBondContact O-OG 3.17Å; Y229-S231 VanDerWaalsContact C-N 3.3Å; Y229-S231 PolarHBondContact O-N 3.46Å; S231-A233 PolarHBondContact O-N 2.83Å; S231-G234 WeakPolarHBondContact CA-O 3.2Å; S231-G234 PolarHBondContact O-N 2.93Å
232Q91.7Very high90.2Very high96 Ų9669.3 Ų69.345%0.44937%0.365SS..THydrogen-bonded Turntrans-66.8-21.8176.8-57.4178.511.100113.5Y229 F230 F278Y229-Q232 WeakPolarHBondContact O-CG 3.3Å; Y229-Q232 PolarHBondContact O-N 3.16Å; F230-Q232 PolarHBondContact O-N 2.87Å; Q232-F278 HydrophobicContact CB-CZ 4.15Å
233A91.1Very high90.3Very high18 Ų1867.1 Ų67.115%0.14936%0.36CS..THydrogen-bonded Turntrans-89.1-20.1174.700000113F230 S231 A274 F278F230-A233 PolarHBondContact O-N 3.32Å; F230-A233 VanDerWaalsContact O-N 3.16Å; S231-A233 PolarHBondContact O-N 2.83Å; A233-A274 HydrophobicContact CB-CB 3.64Å; A233-F278 HydrophobicContact CB-CD2 4.38Å; A233-F278 HydrophobicContact CB-CE2 3.72Å
234G92.3Very high90.4Very high14 Ų1467.7 Ų67.714%0.14436%0.361CS..SBendtrans160.3179.3177.700000114S231 I236S231-G234 WeakPolarHBondContact CA-O 3.2Å; S231-G234 PolarHBondContact O-N 2.93Å; G234-I236 PolarHBondContact O-N 2.83Å
235E93.4Very high90.5Very high125 Ų12564.6 Ų64.658%0.58435%0.345SS*.PPolyproline II helixtrans-74.6125.3-173.6-158.8176.2-165.400111.9V266 Y270E235-V266 HydrophobicContact CB-CG2 4.14Å; E235-V266 HydrophobicContact CG-CG2 4.13Å; E235-V266 WeakPolarHBondContact O-CG2 3.48Å; E235-V266 PolarHBondContact O-N 3.38Å; E235-Y270 HydrophobicContact CB-CE2 4.1Å
236I93.6Very high90.7Very high17 Ų1764.4 Ų64.49%0.08735%0.345CS..BIsolated β-bridgetrans-85.6134.2-179.7-59.2177000108.9A227 F230 G234 P244 V246 V263 S264 F265A227-I236 HydrophobicContact CB-CD1 3.92Å; A227-I236 WeakPolarHBondContact O-CD1 3.12Å; F230-I236 HydrophobicContact CB-CD1 4.27Å; G234-I236 PolarHBondContact O-N 2.83Å; I236-P244 HydrophobicContact CG2-CB 4.03Å; I236-V246 HydrophobicContact CG2-CG2 4.19Å; I236-V263 HydrophobicContact CD1-CG1 3.96Å; I236-V263 HydrophobicContact CG1-CG1 4.11Å; I236-V263 HydrophobicContact CG2-CG1 4.13Å; I236-S264 VanDerWaalsContact CG2-O 3.3Å; I236-S264 WeakPolarHBondContact CG2-O 3.31Å; I236-F265 HydrophobicContact CG1-CD1 4.13Å; I236-F265 HydrophobicContact CG1-CE1 3.97Å
237M92.1Very high90.6Very high57 Ų5769.4 Ų69.428%0.28137%0.368SS..PPolyproline II helixtrans-58.3142.5176.5-176.2176.5-67.800110.3K245 S264M237-K245 HydrophobicContact CB-CB 4.14Å; M237-K245 HydrophobicContact CB-CD 4.18Å; M237-K245 HydrophobicContact CG-CB 4.44Å; M237-K245 HydrophobicContact CG-CD 3.87Å; M237-K245 WeakPolarHBondContact O-CA 3.47Å; M237-K245 WeakPolarHBondContact O-CB 3.37Å; M237-K245 PolarHBondContact O-N 2.99Å; M237-K245 HydrophobicContact SD-CD 3.51Å; M237-K245 VanDerWaalsContact SD-CD 3.51Å; M237-K245 PolarHBondContact SD-NZ 2.87Å; M237-S264 VanDerWaalsContact CB-O 3.31Å; M237-S264 WeakPolarHBondContact CB-O 3.48Å; M237-S264 PolarHBondContact N-O 3.07Å
238I91.1Very high90.5Very high115 Ų11570 Ų7059%0.5937%0.37SS*.BIsolated β-bridgetrans-91.3133.3177-57.5175.6000108.8G242 G243I238-G242 VanDerWaalsContact CG2-C 3.48Å; I238-G243 CarbonylContact C-O 3.55Å; I238-G243 WeakPolarHBondContact CA-O 3.36Å
239D88Confident90.4Very high62 Ų6268.3 Ų68.333%0.33236%0.361SS..PPolyproline II helixtrans-74.5166173.1-17224.1000110.9R241 G242 G243 K245D239-R241 PolarHBondContact O-N 2.82Å; D239-G242 PolarHBondContact O-N 3.04Å; D239-G243 PolarHBondContact N-O 3.05Å; D239-K245 HydrophobicContact CB-CB 4.43Å
240N83.6Confident90.2Very high169 Ų16972.2 Ų72.290%0.90438%0.378SS*.THydrogen-bonded Turntrans-59-12178.8-63.9-40.6000113.9
241R82Confident89.7Confident228 Ų22873.8 Ų73.886%0.8639%0.387SS*.THydrogen-bonded Turntrans-90.9-1.1177-57.4-179.3-173.4-172.51.4113.7D239 G243D239-R241 PolarHBondContact O-N 2.82Å; R241-G243 VanDerWaalsContact C-N 3.27Å; R241-G243 PolarHBondContact O-N 2.83Å
242G85.4Confident89Confident63 Ų6380.8 Ų80.865%0.64941%0.409SS*.SBendtrans79.91.8-175.700000114.8I238 D239I238-G242 VanDerWaalsContact CG2-C 3.48Å; D239-G242 PolarHBondContact O-N 3.04Å
243G87.8Confident88Confident28 Ų2881.8 Ų81.829%0.28942%0.415SS..SBendtrans-94.5165.4174.200000112.7I238 D239 R241I238-G243 CarbonylContact C-O 3.55Å; I238-G243 WeakPolarHBondContact CA-O 3.36Å; D239-G243 PolarHBondContact N-O 3.05Å; R241-G243 VanDerWaalsContact C-N 3.27Å; R241-G243 PolarHBondContact O-N 2.83Å
244P91.7Very high87.3Confident48 Ų4883.9 Ų83.931%0.31243%0.429SS..BIsolated β-bridgetrans-62.7138.9175.528.9-35.3000110.5A227 I236 V246A227-P244 HydrophobicContact CB-CB 3.61Å; A227-P244 HydrophobicContact CB-CG 3.49Å; A227-P244 VanDerWaalsContact CB-CG 3.49Å; I236-P244 HydrophobicContact CG2-CB 4.03Å; P244-V246 HydrophobicContact CB-CG2 4.18Å; P244-V246 PolarHBondContact O-N 2.82Å
245K92.3Very high86.4Confident87 Ų8785.7 Ų85.738%0.37845%0.448SS..  trans-76.871.3-178.4-169.7173.1174.9176.40110.4M237 D239 S264M237-K245 HydrophobicContact CB-CB 4.14Å; M237-K245 HydrophobicContact CB-CD 4.18Å; M237-K245 HydrophobicContact CG-CB 4.44Å; M237-K245 HydrophobicContact CG-CD 3.87Å; M237-K245 WeakPolarHBondContact O-CA 3.47Å; M237-K245 WeakPolarHBondContact O-CB 3.37Å; M237-K245 PolarHBondContact O-N 2.99Å; M237-K245 HydrophobicContact SD-CD 3.51Å; M237-K245 VanDerWaalsContact SD-CD 3.51Å; M237-K245 PolarHBondContact SD-NZ 2.87Å; D239-K245 HydrophobicContact CB-CB 4.43Å; K245-S264 PolarHBondContact O-N 2.96Å
246V93Very high85.4Confident21 Ų2187.6 Ų87.613%0.12745%0.449CS..EExtended strand (participates in β ladder)trans-121.3126.9179.6-179.50000109.2A223 V226 A227 I236 P244 V248 L262 V263A223-V246 HydrophobicContact CB-CB 4.22Å; A223-V246 HydrophobicContact CB-CG1 4.18Å; V226-V246 HydrophobicContact CB-CG1 4.03Å; V226-V246 HydrophobicContact CG1-CG1 3.81Å; A227-V246 HydrophobicContact CB-CG2 3.96Å; I236-V246 HydrophobicContact CG2-CG2 4.19Å; P244-V246 HydrophobicContact CB-CG2 4.18Å; P244-V246 PolarHBondContact O-N 2.82Å; V246-V248 HydrophobicContact CG1-CG2 4.3Å; V246-L262 CarbonylContact C-O 3.5Å; V246-L262 VanDerWaalsContact CA-O 3.32Å; V246-L262 WeakPolarHBondContact CA-O 3.42Å; V246-V263 HydrophobicContact CG1-CG2 4.05Å; V246-V263 HydrophobicContact CG2-CG1 4.28Å; V246-V263 HydrophobicContact CG2-CG2 4.02Å
247H90.9Very high84.7Confident105 Ų10588 Ų8849%0.48645%0.454SS..EExtended strand (participates in β ladder)trans-115.6107.4177-171.481.5000110.2Y249 A261 L262H247-Y249 AromaticContact CD2-CD1 3.82Å; H247-Y249 AromaticContact CD2-CE1 3.52Å; H247-Y249 AromaticContact CD2-CE2 3.89Å; H247-Y249 AromaticContact CD2-CZ 3.57Å; H247-Y249 AromaticContact NE2-CD1 3.8Å; H247-Y249 AromaticContact NE2-CE1 3.63Å; H247-A261 CarbonylContact O-C 3.56Å; H247-A261 VanDerWaalsContact O-CA 3.26Å; H247-A261 WeakPolarHBondContact O-CA 3.4Å; H247-L262 HydrophobicContact CB-CB 4.38Å; H247-L262 PolarHBondContact N-O 2.83Å; H247-L262 PolarHBondContact O-N 3.46Å
248V91.2Very high84.2Confident22 Ų2291.1 Ų91.113%0.13347%0.465CS..EExtended strand (participates in β ladder)trans-88.9120.1175.4-177.30000109.2A223 V226 V246 K250 P257 A261A223-V248 HydrophobicContact CB-CG2 4.13Å; V226-V248 HydrophobicContact CG2-CG2 4.42Å; V246-V248 HydrophobicContact CG1-CG2 4.3Å; V248-K250 PolarHBondContact O-N 3.32Å; V248-P257 HydrophobicContact CG1-CB 4.18Å; V248-A261 HydrophobicContact CG2-CB 4.24Å
249Y89.8Confident84Confident56 Ų5686 Ų8622%0.2244%0.442CS..EExtended strand (participates in β ladder)trans-77.6123.3178.2-69-80.6000110.2F213 H247 K258 E260 L262F213-Y249 HydrophobicContact CD2-CE2 4.3Å; F213-Y249 HydrophobicContact CE2-CD2 4.02Å; F213-Y249 AromaticContact CE2-CE2 3.58Å; F213-Y249 HydrophobicContact CE2-CE2 3.58Å; H247-Y249 AromaticContact CD2-CD1 3.82Å; H247-Y249 AromaticContact CD2-CE1 3.52Å; H247-Y249 AromaticContact CD2-CE2 3.89Å; H247-Y249 AromaticContact CD2-CZ 3.57Å; H247-Y249 AromaticContact NE2-CD1 3.8Å; H247-Y249 AromaticContact NE2-CE1 3.63Å; Y249-K258 PolarHBondContact O-N 3.02Å; Y249-E260 WeakPolarHBondContact CB-O 3.44Å; Y249-E260 HydrophobicContact CD2-CB 4.11Å; Y249-E260 PolarHBondContact N-O 3.35Å; Y249-L262 HydrophobicContact CE2-CB 4.16Å
250K87.1Confident84.2Confident122 Ų12285.1 Ų85.153%0.5344%0.435SS..EExtended strand (participates in β ladder)trans-105.1137.7174.3-56.3-175.7-178-169.20109.1V248 K252 R256V248-K250 PolarHBondContact O-N 3.32Å; K250-K252 PolarHBondContact O-N 3.48Å; K250-R256 WeakPolarHBondContact CA-O 3.44Å
251D81.7Confident84.6Confident34 Ų3477 Ų7718%0.18239%0.392CS..  trans-64.7125.1172.6174.920.5000108.7M253 S254 G255 R256D251-M253 PolarHBondContact O-N 3.21Å; D251-M253 PolarHBondContact OD1-N 3.12Å; D251-S254 WeakPolarHBondContact CB-OG 3.33Å; D251-S254 WeakPolarHBondContact OD2-CB 3.46Å; D251-S254 PolarHBondContact OD2-N 3.26Å; D251-S254 PolarHBondContact OD2-OG 2.96Å; D251-G255 VanDerWaalsContact O-CA 3.25Å; D251-G255 WeakPolarHBondContact O-CA 3.17Å; D251-G255 PolarHBondContact O-N 2.73Å; D251-R256 PolarHBondContact N-O 2.83Å
252K79.5Confident85.1Confident210 Ų21068.1 Ų68.191%0.91336%0.361SS*.THydrogen-bonded Turntrans-67.2-23.8-175.9-64.8177.9-180-115.20112K250K250-K252 PolarHBondContact O-N 3.48Å
253M70.8Confident85.5Confident116 Ų11665.1 Ų65.157%0.57133%0.33SS*.THydrogen-bonded Turntrans-86.2-44-176.3-57.7-17070.900111.7D251 V379D251-M253 PolarHBondContact O-N 3.21Å; D251-M253 PolarHBondContact OD1-N 3.12Å; M253-V379 HydrophobicContact CE-CB 4.34Å; M253-V379 HydrophobicContact CE-CG1 3.88Å; M253-V379 HydrophobicContact CE-CG2 3.48Å; M253-V379 VanDerWaalsContact CE-CG2 3.48Å; M253-V379 HydrophobicContact SD-CG1 4.35Å
254S75.8Confident85.8Confident62 Ų6264.3 Ų64.343%0.43432%0.32SS..THydrogen-bonded Turntrans-97-16.2-177.361.90000114.2D251 R256D251-S254 WeakPolarHBondContact CB-OG 3.33Å; D251-S254 WeakPolarHBondContact OD2-CB 3.46Å; D251-S254 PolarHBondContact OD2-N 3.26Å; D251-S254 PolarHBondContact OD2-OG 2.96Å; S254-R256 PolarHBondContact O-N 3.35Å; S254-R256 VanDerWaalsContact O-N 3.1Å; S254-R256 PolarHBondContact OG-N 3.08Å
255G74.3Confident85.9Confident52 Ų5262 Ų6254%0.53631%0.305SS..  trans70.5-7.3-171.900000114.4D251D251-G255 VanDerWaalsContact O-CA 3.25Å; D251-G255 WeakPolarHBondContact O-CA 3.17Å; D251-G255 PolarHBondContact O-N 2.73Å
256R72.6Confident85.9Confident165 Ų16560.7 Ų60.762%0.62330%0.304SS*.SBendtrans-77.2147.2179.4-61.6-172.9-179-156.81.6110.1K250 D251 S254 K258K250-R256 WeakPolarHBondContact CA-O 3.44Å; D251-R256 PolarHBondContact N-O 2.83Å; S254-R256 PolarHBondContact O-N 3.35Å; S254-R256 VanDerWaalsContact O-N 3.1Å; S254-R256 PolarHBondContact OG-N 3.08Å; R256-K258 PolarHBondContact O-N 3.03Å
257P77.2Confident85.7Confident27 Ų2762.6 Ų62.618%0.17531%0.314CS..EExtended strand (participates in β ladder)trans-57.6132.4172.3-21.434.7000109.5D219 V248 G259D219-P257 VanDerWaalsContact O-CD 3.24Å; D219-P257 WeakPolarHBondContact O-CD 3.22Å; D219-P257 WeakPolarHBondContact O-CG 3.49Å; V248-P257 HydrophobicContact CG1-CB 4.18Å; P257-G259 PolarHBondContact O-N 3.48Å; P257-G259 VanDerWaalsContact O-N 3.11Å
258K82.9Confident85.7Confident121 Ų12159.3 Ų59.353%0.52630%0.302SS..EExtended strand (participates in β ladder)trans-71.1-3178.9-167.5-179.4167.3-137.90111.9Y249 R256 E260Y249-K258 PolarHBondContact O-N 3.02Å; R256-K258 PolarHBondContact O-N 3.03Å; K258-E260 VanDerWaalsContact C-N 3.32Å; K258-E260 WeakPolarHBondContact CE-OE1 3.2Å; K258-E260 IonicContact NZ-OE1 2.77Å; K258-E260 PolarHBondContact NZ-OE1 3.34Å; K258-E260 IonicContact NZ-OE2 2.78Å; K258-E260 PolarHBondContact NZ-OE2 2.94Å
259G87.3Confident85.8Confident9 Ų965.4 Ų65.49%0.09333%0.329CS..EExtended strand (participates in β ladder)trans72.526-17100000113.5Q215 G216 I217 P257Q215-G259 CarbonylContact C-O 3.54Å; G216-G259 PolarHBondContact N-O 3.48Å; I217-G259 PolarHBondContact N-O 2.9Å; I217-G259 WeakPolarHBondContact O-CA 3.14Å; P257-G259 PolarHBondContact O-N 3.48Å; P257-G259 VanDerWaalsContact O-N 3.11Å
260E90.8Very high86Confident42 Ų4266.2 Ų66.220%0.19633%0.332CS..EExtended strand (participates in β ladder)trans-123.5136.5176.8-64.3173.8179.800109.7F213 I214 Q215 Y249 K258F213-E260 HydrophobicContact CE1-CG 4.47Å; F213-E260 HydrophobicContact CZ-CB 3.93Å; F213-E260 HydrophobicContact CZ-CG 4.13Å; I214-E260 CarbonylContact O-C 3.58Å; I214-E260 VanDerWaalsContact O-CA 3.24Å; I214-E260 WeakPolarHBondContact O-CA 3.45Å; Q215-E260 HydrophobicContact CG-CG 4.32Å; Y249-E260 WeakPolarHBondContact CB-O 3.44Å; Y249-E260 HydrophobicContact CD2-CB 4.11Å; Y249-E260 PolarHBondContact N-O 3.35Å; K258-E260 VanDerWaalsContact C-N 3.32Å; K258-E260 WeakPolarHBondContact CE-OE1 3.2Å; K258-E260 IonicContact NZ-OE1 2.77Å; K258-E260 PolarHBondContact NZ-OE1 3.34Å; K258-E260 IonicContact NZ-OE2 2.78Å; K258-E260 PolarHBondContact NZ-OE2 2.94Å
261A92.3Very high86.3Confident0 Ų060.4 Ų60.40%031%0.307CS..EExtended strand (participates in β ladder)trans-140.8156.1174.500000112.2I214 I217 V226 H247 V248I214-A261 PolarHBondContact N-O 2.96Å; I214-A261 PolarHBondContact O-N 3.04Å; I217-A261 HydrophobicContact CD1-CB 3.38Å; V226-A261 HydrophobicContact CG1-CB 4.29Å; H247-A261 CarbonylContact O-C 3.56Å; H247-A261 VanDerWaalsContact O-CA 3.26Å; H247-A261 WeakPolarHBondContact O-CA 3.4Å; V248-A261 HydrophobicContact CG2-CB 4.24Å
262L93.2Very high86.8Confident40 Ų4061.3 Ų61.321%0.20931%0.313CS..EExtended strand (participates in β ladder)trans-118.2126.2172.9-175.6150.1000109.1A211 I212 V246 H247 Y249 A295A211-L262 HydrophobicContact CB-CD2 4.27Å; I212-L262 WeakPolarHBondContact O-CA 3.44Å; V246-L262 CarbonylContact C-O 3.5Å; V246-L262 VanDerWaalsContact CA-O 3.32Å; V246-L262 WeakPolarHBondContact CA-O 3.42Å; H247-L262 HydrophobicContact CB-CB 4.38Å; H247-L262 PolarHBondContact N-O 2.83Å; H247-L262 PolarHBondContact O-N 3.46Å; Y249-L262 HydrophobicContact CE2-CB 4.16Å; L262-A295 HydrophobicContact CD1-CB 4.08Å; L262-A295 HydrophobicContact CG-CB 4.47Å
263V93.7Very high87.4Confident0 Ų053.4 Ų53.40%029%0.287CS..EExtended strand (participates in β ladder)trans-118.5127.5179.7176.10000108.3A211 I212 I214 V226 F230 I236 V246 F265A211-V263 CarbonylContact C-O 3.5Å; A211-V263 VanDerWaalsContact CA-O 3.22Å; A211-V263 WeakPolarHBondContact CA-O 3.24Å; I212-V263 HydrophobicContact CD1-CB 4.26Å; I212-V263 HydrophobicContact CG1-CB 3.82Å; I212-V263 PolarHBondContact N-O 2.93Å; I212-V263 PolarHBondContact O-N 2.93Å; I214-V263 HydrophobicContact CD1-CB 4.26Å; I214-V263 HydrophobicContact CD1-CG2 3.49Å; I214-V263 VanDerWaalsContact CD1-CG2 3.49Å; V226-V263 HydrophobicContact CG1-CG2 3.71Å; F230-V263 HydrophobicContact CB-CG1 4.36Å; F230-V263 HydrophobicContact CD2-CG2 4.36Å; F230-V263 HydrophobicContact CG-CG2 4.47Å; I236-V263 HydrophobicContact CD1-CG1 3.96Å; I236-V263 HydrophobicContact CG1-CG1 4.11Å; I236-V263 HydrophobicContact CG2-CG1 4.13Å; V246-V263 HydrophobicContact CG1-CG2 4.05Å; V246-V263 HydrophobicContact CG2-CG1 4.28Å; V246-V263 HydrophobicContact CG2-CG2 4.02Å; V263-F265 HydrophobicContact CG1-CE1 4.49Å; V263-F265 HydrophobicContact CG1-CE2 4.11Å; V263-F265 HydrophobicContact CG1-CZ 4.08Å
264S92.9Very high88.6Confident11 Ų1147.9 Ų47.98%0.07726%0.26CS..EExtended strand (participates in β ladder)trans-104.7120.2175.6-56.60000110.7I236 M237 K245I236-S264 VanDerWaalsContact CG2-O 3.3Å; I236-S264 WeakPolarHBondContact CG2-O 3.31Å; M237-S264 VanDerWaalsContact CB-O 3.31Å; M237-S264 WeakPolarHBondContact CB-O 3.48Å; M237-S264 PolarHBondContact N-O 3.07Å; K245-S264 PolarHBondContact O-N 2.96Å
265F94.3Very high89.4Confident0 Ų045.9 Ų45.90%024%0.244CC..BIsolated β-bridgetrans-86.7160.9174.6-67.7-80.2000112.3N210 I212 F230 I236 V263 N267 A271 A274N210-F265 WeakPolarHBondContact O-CB 3.31Å; N210-F265 PolarHBondContact O-N 3.48Å; I212-F265 HydrophobicContact CD1-CE2 3.6Å; I212-F265 HydrophobicContact CD1-CZ 4.07Å; I212-F265 HydrophobicContact CG1-CE2 3.75Å; I212-F265 HydrophobicContact CG2-CD2 4.46Å; I212-F265 HydrophobicContact CG2-CE2 4.08Å; F230-F265 HydrophobicContact CB-CZ 4.25Å; I236-F265 HydrophobicContact CG1-CD1 4.13Å; I236-F265 HydrophobicContact CG1-CE1 3.97Å; V263-F265 HydrophobicContact CG1-CE1 4.49Å; V263-F265 HydrophobicContact CG1-CE2 4.11Å; V263-F265 HydrophobicContact CG1-CZ 4.08Å; F265-N267 WeakPolarHBondContact CB-O 3.34Å; F265-A271 HydrophobicContact CD2-CB 3.9Å; F265-A271 HydrophobicContact CE2-CB 4.49Å; F265-A274 HydrophobicContact CE2-CB 3.78Å; F265-A274 HydrophobicContact CZ-CB 3.66Å
266V92Very high90.3Very high59 Ų5949.5 Ų49.536%0.35825%0.251SS..SBendtrans-67.6-43.4171.8178.70000110.5E235E235-V266 HydrophobicContact CB-CG2 4.14Å; E235-V266 HydrophobicContact CG-CG2 4.13Å; E235-V266 WeakPolarHBondContact O-CG2 3.48Å; E235-V266 PolarHBondContact O-N 3.38Å
267N90.5Very high91.2Very high61 Ų6148.4 Ų48.433%0.32625%0.247SC..SBendtrans-116.8147.9-177.4-64.4-24.2000111.9F265 Q269 Y270F265-N267 WeakPolarHBondContact CB-O 3.34Å; N267-Q269 VanDerWaalsContact C-N 3.3Å; N267-Q269 PolarHBondContact O-N 3.45Å; N267-Y270 HydrophobicContact CB-CD2 3.65Å; N267-Y270 HydrophobicContact CB-CE2 3.8Å; N267-Y270 HydrophobicContact CB-CG 4.18Å; N267-Y270 WeakPolarHBondContact ND2-CE2 3.27Å; N267-Y270 PolarHBondContact O-N 3.12Å
268P90.7Very high92Very high37 Ų3747.4 Ų47.424%0.2424%0.24CC..Hα-helixtrans-69.3-28.8177.323.5-29.7000113V208 N210 Y270 A271 T272V208-P268 HydrophobicContact CB-CB 3.56Å; V208-P268 HydrophobicContact CB-CG 3.85Å; V208-P268 HydrophobicContact CG1-CB 3.63Å; V208-P268 HydrophobicContact CG1-CG 3.71Å; N210-P268 WeakPolarHBondContact OD1-CA 3.24Å; N210-P268 WeakPolarHBondContact OD1-CB 3.39Å; N210-P268 WeakPolarHBondContact OD1-CD 2.96Å; P268-Y270 VanDerWaalsContact C-N 3.25Å; P268-Y270 PolarHBondContact O-N 3.31Å; P268-A271 WeakPolarHBondContact O-CB 3.22Å; P268-A271 PolarHBondContact O-N 2.83Å; P268-A271 VanDerWaalsContact O-N 3.09Å; P268-T272 PolarHBondContact O-N 2.77Å; P268-T272 VanDerWaalsContact O-N 3.14Å; P268-T272 PolarHBondContact O-OG1 3.43Å
269Q91.9Very high92.5Very high149 Ų14945.5 Ų45.570%0.69624%0.236SC*.Hα-helixtrans-61.1-36.4176.6-66.5179.6-2600111.7N267 A271 T272 A273N267-Q269 VanDerWaalsContact C-N 3.3Å; N267-Q269 PolarHBondContact O-N 3.45Å; Q269-A271 VanDerWaalsContact C-N 3.33Å; Q269-T272 PolarHBondContact O-N 2.78Å; Q269-A273 PolarHBondContact O-N 2.83Å
270Y94.1Very high92.7Very high74 Ų7447.1 Ų47.129%0.2925%0.252SS..Hα-helixtrans-67.4-34.5175.4-58.6-33.3000111.9E235 N267 P268 A273 A274E235-Y270 HydrophobicContact CB-CE2 4.1Å; N267-Y270 HydrophobicContact CB-CD2 3.65Å; N267-Y270 HydrophobicContact CB-CE2 3.8Å; N267-Y270 HydrophobicContact CB-CG 4.18Å; N267-Y270 WeakPolarHBondContact ND2-CE2 3.27Å; N267-Y270 PolarHBondContact O-N 3.12Å; P268-Y270 VanDerWaalsContact C-N 3.25Å; P268-Y270 PolarHBondContact O-N 3.31Å; Y270-A273 PolarHBondContact O-N 3.11Å; Y270-A274 VanDerWaalsContact O-CB 3.24Å; Y270-A274 WeakPolarHBondContact O-CB 3.32Å; Y270-A274 PolarHBondContact O-N 3.29Å
271A93.1Very high92.6Very high0 Ų049.8 Ų49.80%027%0.265CS..Hα-helixtrans-64.2-43.2174.500000111.6N209 I212 F265 P268 Q269 A274 I275 Y294N209-A271 VanDerWaalsContact O-CB 3.3Å; N209-A271 WeakPolarHBondContact O-CB 3.26Å; I212-A271 HydrophobicContact CG2-CB 3.78Å; F265-A271 HydrophobicContact CD2-CB 3.9Å; F265-A271 HydrophobicContact CE2-CB 4.49Å; P268-A271 WeakPolarHBondContact O-CB 3.22Å; P268-A271 PolarHBondContact O-N 2.83Å; P268-A271 VanDerWaalsContact O-N 3.09Å; Q269-A271 VanDerWaalsContact C-N 3.33Å; A271-A274 PolarHBondContact O-N 2.91Å; A271-I275 WeakPolarHBondContact O-CG1 3.31Å; A271-I275 PolarHBondContact O-N 2.86Å; A271-I275 VanDerWaalsContact O-N 3.09Å; A271-Y294 HydrophobicContact CB-CE1 4.31Å
272T92.4Very high92.4Very high52 Ų5256.2 Ų56.232%0.31929%0.29SS..Hα-helixtrans-61.8-50.7174.2-50.70000111.5P268 Q269 A274 I275 D276 Y294P268-T272 PolarHBondContact O-N 2.77Å; P268-T272 VanDerWaalsContact O-N 3.14Å; P268-T272 PolarHBondContact O-OG1 3.43Å; Q269-T272 PolarHBondContact O-N 2.78Å; T272-A274 PolarHBondContact O-N 2.98Å; T272-I275 PolarHBondContact O-N 2.83Å; T272-I275 VanDerWaalsContact O-N 3.08Å; T272-D276 PolarHBondContact O-N 3.29Å; T272-Y294 WeakPolarHBondContact CB-OH 3.24Å; T272-Y294 WeakPolarHBondContact CG2-OH 3.44Å; T272-Y294 PolarHBondContact OG1-OH 3.49Å
273A93.7Very high92.1Very high44 Ų4454.6 Ų54.636%0.36428%0.281SS..Hα-helixtrans-60-35.4178.600000112.5Q269 Y270 R277Q269-A273 PolarHBondContact O-N 2.83Å; Y270-A273 PolarHBondContact O-N 3.11Å; A273-R277 VanDerWaalsContact O-CB 3.27Å; A273-R277 WeakPolarHBondContact O-CB 3.3Å; A273-R277 PolarHBondContact O-N 3.09Å
274A94.4Very high91.6Very high0 Ų056.6 Ų56.60%029%0.294CS..Hα-helixtrans-66.6-39.8175.700000112.3I212 F230 A233 F265 Y270 A271 T272 F278I212-A274 HydrophobicContact CD1-CB 3.96Å; F230-A274 HydrophobicContact CD1-CB 4.42Å; A233-A274 HydrophobicContact CB-CB 3.64Å; F265-A274 HydrophobicContact CE2-CB 3.78Å; F265-A274 HydrophobicContact CZ-CB 3.66Å; Y270-A274 VanDerWaalsContact O-CB 3.24Å; Y270-A274 WeakPolarHBondContact O-CB 3.32Å; Y270-A274 PolarHBondContact O-N 3.29Å; A271-A274 PolarHBondContact O-N 2.91Å; T272-A274 PolarHBondContact O-N 2.98Å; A274-F278 HydrophobicContact CB-CD2 4.28Å; A274-F278 VanDerWaalsContact O-CB 3.31Å; A274-F278 WeakPolarHBondContact O-CB 3.43Å; A274-F278 WeakPolarHBondContact O-CD2 3.28Å; A274-F278 PolarHBondContact O-N 3.44Å
275I93.5Very high90.8Very high20 Ų2058.6 Ų58.610%0.10332%0.317CS..Hα-helixtrans-63.4-50.9175.3-68.1161.4000109.6I212 A271 T272 R277 N279 V292 Y294I212-I275 HydrophobicContact CG2-CD1 4.15Å; I212-I275 HydrophobicContact CG2-CG1 4.02Å; A271-I275 WeakPolarHBondContact O-CG1 3.31Å; A271-I275 PolarHBondContact O-N 2.86Å; A271-I275 VanDerWaalsContact O-N 3.09Å; T272-I275 PolarHBondContact O-N 2.83Å; T272-I275 VanDerWaalsContact O-N 3.08Å; I275-R277 VanDerWaalsContact C-N 3.3Å; I275-R277 PolarHBondContact O-N 2.81Å; I275-N279 HydrophobicContact CG2-CB 4.36Å; I275-N279 WeakPolarHBondContact O-CB 3.06Å; I275-N279 PolarHBondContact O-N 2.78Å; I275-V292 HydrophobicContact CG1-CG1 3.88Å; I275-Y294 HydrophobicContact CD1-CD1 3.6Å; I275-Y294 HydrophobicContact CD1-CD2 3.61Å; I275-Y294 HydrophobicContact CD1-CE1 3.53Å; I275-Y294 HydrophobicContact CD1-CE2 3.53Å; I275-Y294 HydrophobicContact CD1-CG 3.64Å; I275-Y294 VanDerWaalsContact CD1-CZ 3.5Å
276D93.3Very high89.9Confident128 Ų12860 Ų6068%0.68433%0.326SS*.Hα-helixtrans-63.5-35.7-176.1-66.1-22.2000112.8T272T272-D276 PolarHBondContact O-N 3.29Å
277R92.2Very high89.3Confident143 Ų14366 Ų6654%0.5435%0.35SS..Hα-helixtrans-81.7-40.4-177.8-169-177.8-120.4-135.72.8113.4A273 I275 Q281A273-R277 VanDerWaalsContact O-CB 3.27Å; A273-R277 WeakPolarHBondContact O-CB 3.3Å; A273-R277 PolarHBondContact O-N 3.09Å; I275-R277 VanDerWaalsContact C-N 3.3Å; I275-R277 PolarHBondContact O-N 2.81Å; R277-Q281 WeakPolarHBondContact O-CG 3.37Å
278F93.3Very high89Confident5 Ų567.2 Ų67.22%0.02236%0.36CS..Hα-helixtrans-107.7-15.5-167.9-62.3-62.5000114.7Y229 F230 Q232 A233 A274 G280 Q281 V292Y229-F278 HydrophobicContact CD1-CD1 4.35Å; Y229-F278 HydrophobicContact CD1-CE1 4.12Å; Y229-F278 HydrophobicContact CD1-CZ 4.43Å; Y229-F278 AromaticContact CE1-CD1 3.39Å; Y229-F278 HydrophobicContact CE1-CD1 3.39Å; Y229-F278 AromaticContact CE1-CE1 3.42Å; Y229-F278 HydrophobicContact CE1-CE1 3.42Å; Y229-F278 VanDerWaalsContact CE1-CE1 3.42Å; Y229-F278 HydrophobicContact CE1-CG 4.1Å; Y229-F278 HydrophobicContact CE1-CZ 4.14Å; Y229-F278 HydrophobicContact CE2-CE1 4.36Å; Y229-F278 AromaticContact CZ-CD1 3.72Å; Y229-F278 AromaticContact CZ-CE1 3.57Å; F230-F278 AromaticContact CD1-CD2 3.71Å; F230-F278 HydrophobicContact CD1-CD2 3.71Å; F230-F278 HydrophobicContact CD1-CE2 4.03Å; F230-F278 HydrophobicContact CD1-CG 4.43Å; F230-F278 HydrophobicContact CE1-CB 3.95Å; F230-F278 AromaticContact CE1-CD2 3.7Å; F230-F278 HydrophobicContact CE1-CD2 3.7Å; F230-F278 HydrophobicContact CE1-CE2 4.42Å; F230-F278 HydrophobicContact CE1-CG 4.01Å; F230-F278 HydrophobicContact CZ-CB 4.47Å; Q232-F278 HydrophobicContact CB-CZ 4.15Å; A233-F278 HydrophobicContact CB-CD2 4.38Å; A233-F278 HydrophobicContact CB-CE2 3.72Å; A274-F278 HydrophobicContact CB-CD2 4.28Å; A274-F278 VanDerWaalsContact O-CB 3.31Å; A274-F278 WeakPolarHBondContact O-CB 3.43Å; A274-F278 WeakPolarHBondContact O-CD2 3.28Å; A274-F278 PolarHBondContact O-N 3.44Å; F278-G280 PolarHBondContact O-N 3.21Å; F278-Q281 WeakPolarHBondContact O-CB 3.46Å; F278-Q281 PolarHBondContact O-N 3.21Å; F278-V292 HydrophobicContact CB-CG2 4Å
279N93.1Very high88.9Confident81 Ų8168.6 Ų68.643%0.43337%0.369SS..THydrogen-bonded Turntrans-65.4121.3175.7-171.432.5000110.1I275 V292I275-N279 HydrophobicContact CG2-CB 4.36Å; I275-N279 WeakPolarHBondContact O-CB 3.06Å; I275-N279 PolarHBondContact O-N 2.78Å; N279-V292 HydrophobicContact CB-CB 4.07Å; N279-V292 PolarHBondContact OD1-N 3.44Å; N279-V292 PolarHBondContact OD1-O 2.97Å
280G90.8Very high88.9Confident43 Ų4361.6 Ų61.644%0.44334%0.336SS..THydrogen-bonded Turntrans87.2-5.4-174.800000115.1F278 M290F278-G280 PolarHBondContact O-N 3.21Å; G280-M290 WeakPolarHBondContact CA-O 3.47Å; G280-M290 PolarHBondContact N-O 2.9Å
281Q89.8Confident88.9Confident99 Ų9963.4 Ų63.446%0.46335%0.346SS..PPolyproline II helixtrans-80.9156.5176.2-64.1-61.2-2600111.9R277 F278 M290R277-Q281 WeakPolarHBondContact O-CG 3.37Å; F278-Q281 WeakPolarHBondContact O-CB 3.46Å; F278-Q281 PolarHBondContact O-N 3.21Å; Q281-M290 HydrophobicContact CB-CE 4.35Å; Q281-M290 WeakPolarHBondContact O-CB 3.49Å; Q281-M290 WeakPolarHBondContact O-CE 3.25Å; Q281-M290 PolarHBondContact O-N 3.38Å
282Y88.5Confident88.9Confident135 Ų13563.4 Ų63.453%0.52935%0.346SS..BIsolated β-bridgetrans-85.9131.5175.3-63.5-88.8000110.3E287 P289Y282-E287 VanDerWaalsContact CE1-O 3.28Å; Y282-E287 WeakPolarHBondContact CE1-O 3.38Å; Y282-P289 HydrophobicContact CD1-CB 4.49Å; Y282-P289 HydrophobicContact CE1-CB 4.11Å; Y282-P289 HydrophobicContact CE1-CG 4.48Å
283F85.7Confident88.9Confident5 Ų563.2 Ų63.22%0.02234%0.344CS..PPolyproline II helixtrans-70139.7168-160.9-95.4000108.1P218 A221 I225 Y229 G285 C286 M290P218-F283 HydrophobicContact CG-CD1 3.39Å; P218-F283 HydrophobicContact CG-CE1 3.8Å; P218-F283 HydrophobicContact CG-CG 4.34Å; A221-F283 HydrophobicContact CB-CE1 4.16Å; A221-F283 HydrophobicContact CB-CZ 4.34Å; I225-F283 HydrophobicContact CG2-CE1 4.22Å; I225-F283 HydrophobicContact CG2-CZ 3.9Å; Y229-F283 HydrophobicContact CD1-CD2 4.07Å; Y229-F283 AromaticContact CD1-CE2 3.89Å; Y229-F283 HydrophobicContact CD1-CE2 3.89Å; Y229-F283 HydrophobicContact CD2-CE2 4.45Å; Y229-F283 HydrophobicContact CE1-CD2 4.28Å; Y229-F283 HydrophobicContact CG-CD2 4.31Å; Y229-F283 AromaticContact CG-CE2 3.83Å; Y229-F283 HydrophobicContact CG-CE2 3.83Å; F283-G285 PolarHBondContact O-N 3.32Å; F283-C286 HydrophobicContact CB-CB 4.27Å; F283-C286 PolarHBondContact O-N 3.13Å; F283-M290 HydrophobicContact CB-CE 4.01Å; F283-M290 HydrophobicContact CB-CG 3.98Å; F283-M290 HydrophobicContact CB-SD 3.58Å; F283-M290 VanDerWaalsContact CB-SD 3.58Å; F283-M290 HydrophobicContact CD2-CE 4.1Å; F283-M290 HydrophobicContact CD2-SD 3.51Å; F283-M290 VanDerWaalsContact CD2-SD 3.51Å; F283-M290 HydrophobicContact CG-SD 3.99Å
284P83.2Confident88.9Confident42 Ų4265.8 Ų65.827%0.27335%0.345SS..THydrogen-bonded Turntrans-53.7120.3177.421.8-34.2000110Y10 Y229Y10-P284 PolarHBondContact OH-O 3.19Å; Y229-P284 HydrophobicContact CD2-CG 4.46Å
285G76.5Confident88.6Confident53 Ų5366 Ų6655%0.54635%0.347SS..THydrogen-bonded Turntrans93.11.7179.200000115Y10 F283Y10-G285 WeakPolarHBondContact OH-CA 3.42Å; Y10-G285 PolarHBondContact OH-N 2.74Å; F283-G285 PolarHBondContact O-N 3.32Å
286C75.8Confident87.9Confident30 Ų3071 Ų7120%0.20338%0.379CS..  trans-111.2139.1172-92.50000112.2P218 F283 V288P218-C286 WeakPolarHBondContact CA-SG 3.21Å; P218-C286 WeakPolarHBondContact CB-SG 3.34Å; P218-C286 WeakPolarHBondContact CD-SG 3.05Å; P218-C286 VanDerWaalsContact N-SG 3.36Å; F283-C286 HydrophobicContact CB-CB 4.27Å; F283-C286 PolarHBondContact O-N 3.13Å; C286-V288 VanDerWaalsContact C-N 3.34Å
287E77.8Confident86.2Confident184 Ų18469.6 Ų69.686%0.8638%0.375SS*.SBendtrans-87-8.1170.3-61.3-179.8178.600112.6Y282Y282-E287 VanDerWaalsContact CE1-O 3.28Å; Y282-E287 WeakPolarHBondContact CE1-O 3.38Å
288V84.7Confident84.4Confident88 Ų8872.4 Ų72.453%0.53339%0.386SS..SBendtrans-95.4127.3-179.6-177.50000109.1C286 M290C286-V288 VanDerWaalsContact C-N 3.34Å; V288-M290 PolarHBondContact O-N 3.37Å
289P89Confident81.8Confident65 Ų6575 Ų7542%0.42241%0.405SS..BIsolated β-bridgetrans-65.9135.4175.527.8-33.7000109.9Y282Y282-P289 HydrophobicContact CD1-CB 4.49Å; Y282-P289 HydrophobicContact CE1-CB 4.11Å; Y282-P289 HydrophobicContact CE1-CG 4.48Å
290M91.8Very high79.4Confident2 Ų277.8 Ų77.81%0.0142%0.424CS..PPolyproline II helixtrans-72.3142.1177.2-68.1-177.6-70.300110.9I214 Q215 I217 Y229 F230 G280 Q281 F283 V288I214-M290 HydrophobicContact CG2-CB 4.49Å; I214-M290 HydrophobicContact CG2-SD 4.16Å; Q215-M290 CarbonylContact O-C 3.54Å; Q215-M290 WeakPolarHBondContact O-CA 3.41Å; I217-M290 HydrophobicContact CG1-SD 4.49Å; Y229-M290 HydrophobicContact CE1-CE 3.68Å; F230-M290 HydrophobicContact CZ-SD 4.45Å; G280-M290 WeakPolarHBondContact CA-O 3.47Å; G280-M290 PolarHBondContact N-O 2.9Å; Q281-M290 HydrophobicContact CB-CE 4.35Å; Q281-M290 WeakPolarHBondContact O-CB 3.49Å; Q281-M290 WeakPolarHBondContact O-CE 3.25Å; Q281-M290 PolarHBondContact O-N 3.38Å; F283-M290 HydrophobicContact CB-CE 4.01Å; F283-M290 HydrophobicContact CB-CG 3.98Å; F283-M290 HydrophobicContact CB-SD 3.58Å; F283-M290 VanDerWaalsContact CB-SD 3.58Å; F283-M290 HydrophobicContact CD2-CE 4.1Å; F283-M290 HydrophobicContact CD2-SD 3.51Å; F283-M290 VanDerWaalsContact CD2-SD 3.51Å; F283-M290 HydrophobicContact CG-SD 3.99Å; V288-M290 PolarHBondContact O-N 3.37Å
291K93.6Very high76.9Confident112 Ų11281.4 Ų81.449%0.48743%0.434SS..EExtended strand (participates in β ladder)trans-107.6119.5168.8-177.7176.9-179175.30109I214 Q215 T293I214-K291 CarbonylContact C-O 3.52Å; I214-K291 WeakPolarHBondContact CA-O 3.49Å; Q215-K291 HydrophobicContact CB-CB 4.26Å; Q215-K291 PolarHBondContact N-O 3.49Å; Q215-K291 PolarHBondContact O-N 3Å; K291-T293 HydrophobicContact CG-CG2 4.19Å
292V93.8Very high74.4Confident0 Ų087.2 Ų87.20%045%0.453CS..EExtended strand (participates in β ladder)trans-113.5122.7179.6-169.60000108.3I212 I214 F230 I275 F278 N279I212-V292 HydrophobicContact CB-CG1 4.11Å; I212-V292 HydrophobicContact CD1-CG1 3.77Å; I212-V292 HydrophobicContact CG1-CG1 4.44Å; I214-V292 HydrophobicContact CG1-CG1 4.24Å; I214-V292 HydrophobicContact CG1-CG2 4.39Å; I214-V292 HydrophobicContact CG2-CG2 4.29Å; F230-V292 HydrophobicContact CE1-CG1 4.43Å; F230-V292 HydrophobicContact CE1-CG2 4.23Å; F230-V292 HydrophobicContact CZ-CG2 4.27Å; I275-V292 HydrophobicContact CG1-CG1 3.88Å; F278-V292 HydrophobicContact CB-CG2 4Å; N279-V292 HydrophobicContact CB-CB 4.07Å; N279-V292 PolarHBondContact OD1-N 3.44Å; N279-V292 PolarHBondContact OD1-O 2.97Å
293T93.1Very high72.2Confident48 Ų4883.8 Ų83.829%0.29446%0.459SS..EExtended strand (participates in β ladder)trans-134.9156.8-178.751.80000110I212 F213 K291 A295I212-T293 CarbonylContact C-O 3.57Å; I212-T293 WeakPolarHBondContact CA-O 3.11Å; F213-T293 PolarHBondContact N-O 2.81Å; F213-T293 PolarHBondContact O-N 3.31Å; F213-T293 PolarHBondContact O-OG1 2.96Å; K291-T293 HydrophobicContact CG-CG2 4.19Å; T293-A295 PolarHBondContact O-N 3.31Å
294Y92.7Very high70Confident98 Ų9892.5 Ų92.538%0.38450%0.502SS..EExtended strand (participates in β ladder)trans-54.9134.5167.9-71.3-71.5000110.2N209 A271 T272 I275 T296N209-Y294 HydrophobicContact CB-CD1 3.83Å; N209-Y294 HydrophobicContact CB-CG 4.4Å; A271-Y294 HydrophobicContact CB-CE1 4.31Å; T272-Y294 WeakPolarHBondContact CB-OH 3.24Å; T272-Y294 WeakPolarHBondContact CG2-OH 3.44Å; T272-Y294 PolarHBondContact OG1-OH 3.49Å; I275-Y294 HydrophobicContact CD1-CD1 3.6Å; I275-Y294 HydrophobicContact CD1-CD2 3.61Å; I275-Y294 HydrophobicContact CD1-CE1 3.53Å; I275-Y294 HydrophobicContact CD1-CE2 3.53Å; I275-Y294 HydrophobicContact CD1-CG 3.64Å; I275-Y294 VanDerWaalsContact CD1-CZ 3.5Å; Y294-T296 PolarHBondContact O-N 2.81Å
295A88Confident67.9Low5 Ų593.4 Ų93.44%0.04152%0.519CS..  trans-66.7120.9174.100000107.7A211 F213 L262 T293 T297A211-A295 HydrophobicContact CB-CB 3.74Å; A211-A295 VanDerWaalsContact O-CB 3.25Å; A211-A295 WeakPolarHBondContact O-CB 3.36Å; A211-A295 PolarHBondContact O-N 2.96Å; F213-A295 HydrophobicContact CB-CB 4.33Å; L262-A295 HydrophobicContact CD1-CB 4.08Å; L262-A295 HydrophobicContact CG-CB 4.47Å; T293-A295 PolarHBondContact O-N 3.31Å; A295-T297 PolarHBondContact O-N 2.83Å
296T78.5Confident65.9Low124 Ų12494.7 Ų94.776%0.76153%0.532SS*.  trans-61.6112.1165.8580000106Y294 R298Y294-T296 PolarHBondContact O-N 2.81Å; T296-R298 PolarHBondContact O-N 3.28Å
297T57.9Low64Low100 Ų10097.4 Ų97.461%0.61357%0.565SS**  trans-54119.5170.850.40000106.1N209 A295 S299N209-T297 VanDerWaalsContact OD1-CG2 3.27Å; N209-T297 WeakPolarHBondContact OD1-CG2 3.3Å; A295-T297 PolarHBondContact O-N 2.83Å; T297-S299 PolarHBondContact O-N 3.38Å
298R54.2Low62.2Low202 Ų20291.4 Ų91.476%0.76255%0.553SS**  trans-70.686.2156.3-62.2-175.7-173.5-173.82.4102.4T296 T300T296-R298 PolarHBondContact O-N 3.28Å; R298-T300 PolarHBondContact O-N 3.35Å; R298-T300 PolarHBondContact O-OG1 3.38Å
299S39.9Very low60.1Low60 Ų6099 Ų9942%0.4257%0.572SS.*  trans-43.3112.6175170.10000106.1T297 D301T297-S299 PolarHBondContact O-N 3.38Å; S299-D301 PolarHBondContact O-N 3.18Å; S299-D301 WeakPolarHBondContact OG-CA 3.32Å; S299-D301 WeakPolarHBondContact OG-CB 3.17Å; S299-D301 PolarHBondContact OG-N 3.02Å; S299-D301 VanDerWaalsContact OG-N 3.12Å; S299-D301 PolarHBondContact OG-O 3.46Å; S299-D301 PolarHBondContact OG-OD2 2.75Å
300T42.5Very low58Low138 Ų138102.7 Ų102.785%0.84759%0.588SS**SBendtrans-73.90.4170.9-57.30000108.7R298 Y302R298-T300 PolarHBondContact O-N 3.35Å; R298-T300 PolarHBondContact O-OG1 3.38Å; T300-Y302 PolarHBondContact O-N 3.46Å
301D37.9Very low55.9Low119 Ų119111.9 Ų111.964%0.63663%0.633SS**  trans-71.374152.7-39.5-84.4000110.4S299 G303S299-D301 PolarHBondContact O-N 3.18Å; S299-D301 WeakPolarHBondContact OG-CA 3.32Å; S299-D301 WeakPolarHBondContact OG-CB 3.17Å; S299-D301 PolarHBondContact OG-N 3.02Å; S299-D301 VanDerWaalsContact OG-N 3.12Å; S299-D301 PolarHBondContact OG-O 3.46Å; S299-D301 PolarHBondContact OG-OD2 2.75Å; D301-G303 PolarHBondContact O-N 2.83Å
302Y38.3Very low53.5Low222 Ų222109.7 Ų109.787%0.87164%0.643SS**SBend-61.288125.1-84.7-87.4000106.6T300 M304T300-Y302 PolarHBondContact O-N 3.46Å; Y302-M304 VanDerWaalsContact C-N 3.32Å; Y302-M304 PolarHBondContact O-N 3.1Å
303G40.6Very low50.8Low63 Ų63113.9 Ų113.965%0.64969%0.686SS**SBendtrans15.164.1162.300000117.4D301D301-G303 PolarHBondContact O-N 2.83Å
304M40Very low48.3Very low187 Ų187115.6 Ų115.692%0.92171%0.713SS**  trans-92.824.2155.1-95.4-80.9-178.900110.2Y302Y302-M304 VanDerWaalsContact C-N 3.32Å; Y302-M304 PolarHBondContact O-N 3.1Å
305G38.6Very low45.7Very low61 Ų61113.9 Ų113.963%0.62973%0.725SS**  trans-85.6123.3145.400000106.9
306G36.4Very low43.2Very low80 Ų80117.7 Ų117.783%0.82577%0.765SS**  cis104.398.739.700000106.9
307G35.3Very low41.6Very low88 Ų88122.1 Ų122.191%0.90777%0.769SS**  trans98123.916800000114.8
308G39.5Very low40.9Very low58 Ų58120.9 Ų120.960%0.59878%0.777SS**  trans120.345170.800000115.2D310G308-D310 VanDerWaalsContact CA-OD2 3.3Å; G308-D310 WeakPolarHBondContact CA-OD2 3.43Å; G308-D310 PolarHBondContact O-N 3.48Å
309R40.5Very low40.5Very low246 Ų246123.1 Ų123.193%0.92879%0.785SS**  trans-71.170.9156-69.1179.2-174.8167.51.4107.9
310D44.9Very low40.6Very low143 Ų143124.2 Ų124.277%0.76581%0.806SS**  trans-108.548.5170.3-55.4-65.7000108.9G308G308-D310 VanDerWaalsContact CA-OD2 3.3Å; G308-D310 WeakPolarHBondContact CA-OD2 3.43Å; G308-D310 PolarHBondContact O-N 3.48Å
311M47.5Very low40.7Very low195 Ų195121.3 Ų121.396%0.96180%0.803SS**  trans-114.750.4148.9-89.4-88.117900106.5
312G43.3Very low41.2Very low66 Ų66121.8 Ų121.868%0.6881%0.813SS**  trans-71.6137.3161.200000108.7
313G38.3Very low41.5Very low88 Ų88117.1 Ų117.191%0.90781%0.81SS**  trans-59.4153.8-172.100000115.2
314G38.7Very low41.8Very low85 Ų85117.5 Ų117.588%0.87681%0.814SS**  trans165.5102.8170.100000104.4
315G38.5Very low41.9Very low61 Ų61117.8 Ų117.863%0.62980%0.804SS**  cis151.2132.236.600000102.7
316G36.5Very low42.3Very low85 Ų85123.6 Ų123.688%0.87681%0.809SS**  trans-59.2142.1-172.300000113.2
317Y43.8Very low42.8Very low217 Ų217127.3 Ų127.385%0.85181%0.809SS**  trans-150.7100.3142.345.4-87.1000107.5
318G43.2Very low43.2Very low75 Ų75126.6 Ų126.677%0.77380%0.802SS**  trans-66.5135.115900000109.1
319R45.8Very low43.4Very low249 Ų249127.1 Ų127.194%0.9481%0.807SS**  trans-158.2118.1150.4-88.6-149-168.7-104.73.2110.9
320G42.7Very low43.6Very low83 Ų83127.4 Ų127.486%0.85681%0.809SS**  trans75.7106.1151.300000115.4
321G43.9Very low43.6Very low76 Ų76124.3 Ų124.378%0.78481%0.81SS**  114.5162.859.900000107.8
322P50.1Low43.5Very low130 Ų130126.8 Ų126.884%0.84481%0.809SS**  cis-129.2168.81124.7-0.2000116.2
323P44.3Very low43.9Very low124 Ų124129.1 Ų129.181%0.80581%0.812SS**  trans-100.7146.4-164.836.5-30.9000116.2
324G45.5Very low44.1Very low71 Ų71128.1 Ų128.173%0.73280%0.802SS**  trans73.3148.4160.400000114.5
325R43.5Very low44.1Very low192 Ų192126.9 Ų126.973%0.72579%0.789SS**  -175.615651-62.8-115.2-117.5-147.9-3.6112.4
326Y46.7Very low44.3Very low184 Ų184134.9 Ų134.972%0.72280%0.802SS**  trans46.6124.8156.425.1-114.1000118.9
327D46.1Very low44.6Very low157 Ų157134.6 Ų134.684%0.8480%0.799SS**  -169.5122.969.2-164.7-98.4000108.2
328G43.9Very low44.5Very low73 Ų73128.1 Ų128.175%0.75380%0.799SS**  84.3119.293.600000111.8
329G44.8Very low44.3Very low69 Ų69136.6 Ų136.671%0.71181%0.807SS**  cis174.3168.72.300000111.7
330R44.3Very low44.1Very low252 Ų252128.2 Ų128.295%0.95180%0.798SS**  trans65.3113.5156.7-50-165.1-160.1-141.88117.5
331G43.9Very low43.8Very low78 Ų78130.5 Ų130.580%0.80479%0.791SS**  88.4124.367.400000108.7
332R46.7Very low43.5Very low248 Ų248136 Ų13694%0.93679%0.793SS**  cis-172.3171.549.7-119.6-161.4163.8-117.12.2110.7
333P50.1Low43.1Very low114 Ų114133.5 Ų133.574%0.7479%0.791SS**  trans-114.6175.4-156.644.1-37.2000116.3
334G43.2Very low42.8Very low67 Ų67131.2 Ų131.269%0.69179%0.791SS**  trans153114.2160.200000112
335G39.8Very low42.8Very low59 Ų59133.7 Ų133.761%0.60879%0.794SS**  86132.595.400000110.2
336Y42.5Very low43Very low229 Ų229130.7 Ų130.790%0.89880%0.799SS**  cis-169.2149.935.5-57.6-90000110.9
337G42.3Very low42.9Very low79 Ų79133.8 Ų133.881%0.81481%0.81SS**  trans67.9118.8145.500000118.7
338G40.3Very low42.6Very low82 Ų82129.9 Ų129.985%0.84581%0.807SS**  85.2134.566.400000109.4
339R41Very low42.3Very low253 Ų253137.9 Ų137.996%0.95581%0.814SS**  cis180145.219.6-157-159-137.4-102.78.2106.7
340G40.5Very low42Very low73 Ų73139.8 Ų139.875%0.75382%0.817SS**  trans61.3122.4150.200000120.1
341N36.8Very low41.8Very low131 Ų131137.2 Ų137.270%0.70182%0.815SS**  92.8132.470.8-157.418.1000113.7
342F38.4Very low41.5Very low190 Ų190137.2 Ų137.283%0.83382%0.815SS**  trans85.5124.6166-54.9-72.8000121.1
343G41.4Very low41Very low78 Ų78128.4 Ų128.480%0.80480%0.802SS**  trans128.4110.8147.100000116.1
344G36.9Very low40.6Very low77 Ų77133.8 Ų133.879%0.79481%0.809SS**  trans-65.4-172.8177.900000116.7
345P45.7Very low40.4Very low123 Ų123138.5 Ų138.580%0.79982%0.818SS**PPolyproline II helixtrans-102.8163.1-135.138.4-35.6000114.9
346P48Very low40.5Very low129 Ų129147.4 Ų147.484%0.83883%0.834SS**PPolyproline II helixtrans-101127159.224.1-8.2000111.9
347R43.5Very low40.3Very low248 Ų248140.3 Ų140.394%0.93683%0.831SS**PPolyproline II helixtrans-56.4149.3168.3-65.9174.1172.7162.5-2.6112
348G40.1Very low40Very low76 Ų76139.7 Ų139.778%0.78482%0.824SS**  trans112.5105.8143.800000115
349R38.9Very low39.8Very low241 Ų241144.2 Ų144.291%0.90983%0.826SS**  158.3110.994-168.1167.4-155.1-111.84.4110.2
350S38.8Very low39.9Very low108 Ų108138.7 Ų138.776%0.75582%0.815SS**  trans46.1123.5145.1-92.10000121.4
351Q39.2Very low40.1Very low198 Ų198141.9 Ų141.993%0.92582%0.82SS**  trans98.699.2131.9-150.5164.534.900116.6
352G36.8Very low40.3Very low78 Ų78146.7 Ų146.780%0.80483%0.828SS**  trans141.9103.9164.400000112.2
353G36.3Very low40Very low64 Ų64140.1 Ų140.166%0.6681%0.814SS**  trans-59.3147.6-172.700000114.8D355G353-D355 PolarHBondContact O-N 2.87Å
354Y42.2Very low40.2Very low227 Ų227143 Ų14389%0.8981%0.81SS**  trans-56.590.5-179.839.7-88000113.7R356Y354-R356 PolarHBondContact O-N 2.9Å
355D39.6Very low40.2Very low165 Ų165151.4 Ų151.488%0.88282%0.818SS**  trans-71.1104.9135.5-79.5-68.9000107.7G353G353-D355 PolarHBondContact O-N 2.87Å
356R42Very low40.4Very low246 Ų246151.5 Ų151.593%0.92881%0.81SS**  trans153.791.1148.6-174.4176.4-88.3168.4-8.2111.7Y354Y354-R356 PolarHBondContact O-N 2.9Å
357G37.8Very low40.1Very low81 Ų81152.2 Ų152.284%0.83581%0.813SS**  trans174.196.2164.300000107.9
358G35.2Very low39.8Very low66 Ų66143 Ų14368%0.6879%0.794SS**  cis109.895.432.600000108.1
359M37.6Very low40.1Very low177 Ų177142.9 Ų142.987%0.87279%0.787SS**  trans71.793.8155.5-60.8136.4161.900117.7
360N43.1Very low40.5Very low136 Ų136137.2 Ų137.273%0.72777%0.774SS**  179.838.8121.9-85-26000113.6R362N360-R362 PolarHBondContact O-N 3.41Å
361T44Very low41.2Very low141 Ų141137.3 Ų137.387%0.86576%0.764SS**  trans-75.860.7171.8-30.30000111.5G363T361-G363 PolarHBondContact O-N 3.2Å
362R39.8Very low42.1Very low232 Ų232135.6 Ų135.688%0.87576%0.756SS**  trans-86.762.6163.8-73.2-171.8178.8106.7-3.3108.6N360N360-R362 PolarHBondContact O-N 3.41Å
363G33.6Very low42.9Very low52 Ų52136.4 Ų136.454%0.53676%0.755SS.*  trans-143.1102.3-168.900000112.9T361T361-G363 PolarHBondContact O-N 3.2Å
364I46.1Very low44.2Very low139 Ų139140.2 Ų140.271%0.71375%0.75SS**  trans75.694.6164.4-37.4-164.9000116.4L366I364-L366 HydrophobicContact CB-CG 4.34Å; I364-L366 HydrophobicContact CG2-CB 4.46Å; I364-L366 HydrophobicContact CG2-CD2 3.79Å; I364-L366 HydrophobicContact CG2-CG 3.6Å; I364-L366 PolarHBondContact O-N 2.93Å
365R36.4Very low45.3Very low253 Ų253135.8 Ų135.896%0.95575%0.752SS**  trans-6486.7148.2-68.4-155.1-167.7-144.88.2108T367R365-T367 PolarHBondContact O-N 2.89Å; R365-T367 VanDerWaalsContact O-N 3.13Å
366L48.6Very low47.1Very low124 Ų124137.7 Ų137.765%0.64975%0.746SS**  trans-68.3101.8163.6-73.5162.3000106.4I364 G368 A369I364-L366 HydrophobicContact CB-CG 4.34Å; I364-L366 HydrophobicContact CG2-CB 4.46Å; I364-L366 HydrophobicContact CG2-CD2 3.79Å; I364-L366 HydrophobicContact CG2-CG 3.6Å; I364-L366 PolarHBondContact O-N 2.93Å; L366-G368 VanDerWaalsContact C-N 3.31Å; L366-G368 PolarHBondContact O-N 3.05Å; L366-A369 HydrophobicContact CB-CB 4.32Å; L366-A369 HydrophobicContact CD1-CB 4.31Å
367T42.9Very low49.4Very low145 Ų145128.6 Ų128.689%0.8972%0.716SS**SBendtrans-55.5101.1155.141.40000107.9R365R365-T367 PolarHBondContact O-N 2.89Å; R365-T367 VanDerWaalsContact O-N 3.13Å
368G37.6Very low51.9Low53 Ų53125.1 Ų125.155%0.54668%0.678SS.*SBendtrans100.39153.500000120.2L366 N370L366-G368 VanDerWaalsContact C-N 3.31Å; L366-G368 PolarHBondContact O-N 3.05Å; G368-N370 PolarHBondContact O-N 2.78Å
369A46.7Very low54.5Low75 Ų75124.8 Ų124.862%0.6266%0.663SS**  trans-97.730.3-173.200000115.9L366L366-A369 HydrophobicContact CB-CB 4.32Å; L366-A369 HydrophobicContact CD1-CB 4.31Å
370N45.8Very low57.1Low122 Ų122116.4 Ų116.465%0.65262%0.621SS**  trans-95.978.5162.2-174-21.3000108.1G368G368-N370 PolarHBondContact O-N 2.78Å
371M52.9Low59.2Low110 Ų110116.9 Ų116.954%0.54262%0.621SS.*  trans-129.867.5174.2-59.5-153.6-163.200109A373 F388M371-A373 PolarHBondContact O-N 3.14Å; M371-F388 HydrophobicContact CE-CE1 4.4Å; M371-F388 HydrophobicContact CE-CZ 4.4Å
372E58.6Low61.3Low162 Ų162117 Ų11776%0.75761%0.611SS**  trans-44.3126.6142.5-130.594.9179.800106R374E372-R374 VanDerWaalsContact C-N 3.34Å; E372-R374 PolarHBondContact O-N 3.34Å
373A55Low63.8Low94 Ų94107.9 Ų107.978%0.77758%0.583SS**  trans-55.5100.7178.400000108.4M371 S375M371-A373 PolarHBondContact O-N 3.14Å; A373-S375 PolarHBondContact O-N 2.89Å
374R63.6Low66.4Low145 Ų145109.3 Ų109.355%0.54758%0.578SS.*  trans-67.6133.1175.3-67.5-175.6175.495.43.7105.5E372 R376 D377E372-R374 VanDerWaalsContact C-N 3.34Å; E372-R374 PolarHBondContact O-N 3.34Å; R374-R376 PolarHBondContact O-N 2.93Å; R374-D377 PolarHBondContact O-N 2.88Å
375S63.9Low68.5Low134 Ų134104.8 Ų104.894%0.93756%0.555SS**THydrogen-bonded Turntrans-56.83.6-173.8-52.60000116.3A373A373-S375 PolarHBondContact O-N 2.89Å
376R78.5Confident71.1Confident204 Ų20495.9 Ų95.977%0.7754%0.536SS*.THydrogen-bonded Turntrans-110-17.5175.5-69.7-172.9177.8-155.1-0.6113.9R374 G389R374-R376 PolarHBondContact O-N 2.93Å; R376-G389 WeakPolarHBondContact O-CA 3.37Å
377D89.3Confident73.1Confident55 Ų5590.1 Ų90.129%0.29451%0.506SS..  trans-71.2137.8-177.5-64.4-23.6000110.7R374 N387 F388 G389R374-D377 PolarHBondContact O-N 2.88Å; D377-N387 WeakPolarHBondContact CA-O 3.19Å; D377-N387 WeakPolarHBondContact CB-O 3.5Å; D377-F388 VanDerWaalsContact OD1-CA 3.28Å; D377-F388 WeakPolarHBondContact OD1-CA 3.5Å; D377-G389 PolarHBondContact OD1-N 3.27Å
378W90.4Very high75.3Confident9 Ų987.2 Ų87.23%0.03448%0.481CS..EExtended strand (participates in β ladder)trans-120.5148.3-17666.3-86.3000111.6C380 N387 R391 C394 R401W378-C380 HydrophobicContact CH2-CB 4.45Å; W378-C380 HydrophobicContact CZ3-CB 3.86Å; W378-N387 HydrophobicContact CD2-CB 3.98Å; W378-N387 HydrophobicContact CG-CB 4.35Å; W378-N387 HydrophobicContact CZ2-CB 3.79Å; W378-N387 PolarHBondContact N-O 2.98Å; W378-N387 PolarHBondContact O-N 3.25Å; W378-R391 PolarHBondContact NE1-O 2.96Å; W378-C394 HydrophobicContact CH2-CB 3.99Å; W378-R401 HydrophobicContact CD2-CB 4.21Å; W378-R401 HydrophobicContact CD2-CG 3.86Å; W378-R401 HydrophobicContact CE3-CB 4.38Å; W378-R401 HydrophobicContact CE3-CG 4.21Å; W378-R401 HydrophobicContact CG-CG 4.07Å; W378-R401 HydrophobicContact CH2-CB 4.08Å; W378-R401 HydrophobicContact CZ2-CB 3.9Å; W378-R401 HydrophobicContact CZ2-CG 4.43Å; W378-R401 HydrophobicContact CZ3-CB 4.31Å
379V90.4Very high77.7Confident59 Ų5985.3 Ų85.336%0.35846%0.461SS..EExtended strand (participates in β ladder)trans-98.8126.9-179.3-174.80000109M253 M381M253-V379 HydrophobicContact CE-CB 4.34Å; M253-V379 HydrophobicContact CE-CG1 3.88Å; M253-V379 HydrophobicContact CE-CG2 3.48Å; M253-V379 VanDerWaalsContact CE-CG2 3.48Å; M253-V379 HydrophobicContact SD-CG1 4.35Å; V379-M381 PolarHBondContact O-N 2.82Å
380C91.7Very high79.6Confident0 Ų089.1 Ų89.10%046%0.464CS..  trans-69.2123.9178.3173.10000111.9W378 H382 N384 N385 N387 C394 C397W378-C380 HydrophobicContact CH2-CB 4.45Å; W378-C380 HydrophobicContact CZ3-CB 3.86Å; C380-H382 PolarHBondContact O-N 3.08Å; C380-H382 PolarHBondContact SG-N 3.01Å; C380-H382 VanDerWaalsContact SG-N 3.38Å; C380-N384 WeakPolarHBondContact O-CA 3.44Å; C380-N384 PolarHBondContact O-N 3.29Å; C380-N384 PolarHBondContact O-OD1 3.48Å; C380-N385 PolarHBondContact N-O 2.84Å; C380-N387 WeakPolarHBondContact CB-ND2 3.37Å; C380-C394 HydrophobicContact CB-CB 3.78Å; C380-C394 WeakPolarHBondContact CB-SG 2.8Å; C380-C394 VanDerWaalsContact SG-SG 3.66Å; C380-C397 PolarHBondContact SG-SG 2.88Å
381M88.6Confident81.6Confident147 Ų14786.4 Ų86.472%0.72444%0.444SS*.THydrogen-bonded Turntrans-69.2-17.6-179.5-56.3-120.379.900114V379 P402V379-M381 PolarHBondContact O-N 2.82Å; M381-P402 HydrophobicContact CG-CB 4.32Å; M381-P402 HydrophobicContact CG-CG 4.11Å
382H87.9Confident83.3Confident143 Ų14386.8 Ų86.866%0.66245%0.445SS*.THydrogen-bonded Turntrans-91.5-28.8-179.2-67.4-93.8000113.9C380 A399C380-H382 PolarHBondContact O-N 3.08Å; C380-H382 PolarHBondContact SG-N 3.01Å; C380-H382 VanDerWaalsContact SG-N 3.38Å; H382-A399 HydrophobicContact CB-CB 3.94Å; H382-A399 WeakPolarHBondContact CD2-CB 3.37Å
383C91.6Very high84.9Confident40 Ų4084.8 Ų84.827%0.2744%0.436SS..THydrogen-bonded Turntrans-141.49.2-173.680.50000114.7N385 C394 C397C383-N385 PolarHBondContact O-N 3.33Å; C383-N385 VanDerWaalsContact SG-CB 3.56Å; C383-C394 PolarHBondContact SG-SG 3.5Å; C383-C397 HydrophobicContact CB-CB 3.96Å; C383-C397 PolarHBondContact SG-SG 3.25Å
384N88.3Confident86.7Confident83 Ų8380.5 Ų80.544%0.44440%0.4SS..  trans50.528.7-179.7-67.6-14.3000115C380C380-N384 WeakPolarHBondContact O-CA 3.44Å; C380-N384 PolarHBondContact O-N 3.29Å; C380-N384 PolarHBondContact O-OD1 3.48Å
385N90.8Very high88.1Confident44 Ų4478.6 Ų78.624%0.23540%0.4CS..  trans-83.5129.6173.9-17570.4000110.2C380 C383 N387 K396C380-N385 PolarHBondContact N-O 2.84Å; C383-N385 PolarHBondContact O-N 3.33Å; C383-N385 VanDerWaalsContact SG-CB 3.56Å; N385-N387 PolarHBondContact ND2-OD1 3.13Å; N385-N387 PolarHBondContact O-N 2.88Å; N385-N387 PolarHBondContact O-ND2 2.92Å; N385-K396 HydrophobicContact CB-CB 3.79Å; N385-K396 HydrophobicContact CB-CD 4.06Å
386A90.6Very high89.3Confident66 Ų6679.6 Ų79.655%0.54539%0.388SS..EExtended strand (participates in β ladder)trans-68.8125.7170.300000110.2
387N89.4Confident90.1Very high2 Ų272.3 Ų72.31%0.01137%0.368CS..EExtended strand (participates in β ladder)trans-118.3141.8-179.8-55.6-67000109.5D377 W378 C380 N385 C394 N395D377-N387 WeakPolarHBondContact CA-O 3.19Å; D377-N387 WeakPolarHBondContact CB-O 3.5Å; W378-N387 HydrophobicContact CD2-CB 3.98Å; W378-N387 HydrophobicContact CG-CB 4.35Å; W378-N387 HydrophobicContact CZ2-CB 3.79Å; W378-N387 PolarHBondContact N-O 2.98Å; W378-N387 PolarHBondContact O-N 3.25Å; C380-N387 WeakPolarHBondContact CB-ND2 3.37Å; N385-N387 PolarHBondContact ND2-OD1 3.13Å; N385-N387 PolarHBondContact O-N 2.88Å; N385-N387 PolarHBondContact O-ND2 2.92Å; N387-C394 WeakPolarHBondContact OD1-CA 3.28Å; N387-N395 PolarHBondContact OD1-N 2.86Å
388F89.1Confident90.2Very high85 Ų8579.3 Ų79.337%0.37339%0.39SS..  trans-58.9141.2173.5-63.5-71.8000111.1M371 D377 F390 R391M371-F388 HydrophobicContact CE-CE1 4.4Å; M371-F388 HydrophobicContact CE-CZ 4.4Å; D377-F388 VanDerWaalsContact OD1-CA 3.28Å; D377-F388 WeakPolarHBondContact OD1-CA 3.5Å; F388-F390 HydrophobicContact CB-CD1 3.51Å; F388-F390 HydrophobicContact CB-CE1 3.24Å; F388-F390 HydrophobicContact CB-CG 4.48Å; F388-F390 HydrophobicContact CB-CZ 4.03Å; F388-F390 HydrophobicContact CD2-CE1 4.03Å; F388-F390 HydrophobicContact CD2-CZ 4.3Å; F388-F390 HydrophobicContact CG-CD1 4.41Å; F388-F390 AromaticContact CG-CE1 3.72Å; F388-F390 HydrophobicContact CG-CE1 3.72Å; F388-F390 HydrophobicContact CG-CZ 4.42Å; F388-F390 PolarHBondContact O-N 2.74Å; F388-R391 HydrophobicContact CB-CG 4.43Å; F388-R391 WeakPolarHBondContact O-CB 3.49Å; F388-R391 PolarHBondContact O-N 2.85Å
389G88.2Confident90.2Very high12 Ų1279.4 Ų79.412%0.12439%0.392CS..THydrogen-bonded Turntrans-59.1-17.4-173.900000118.1R376 D377 R401R376-G389 WeakPolarHBondContact O-CA 3.37Å; D377-G389 PolarHBondContact OD1-N 3.27Å; G389-R401 PolarHBondContact O-NH1 2.87Å
390F86Confident90.2Very high155 Ų15580.9 Ų80.968%0.6840%0.403SS*.THydrogen-bonded Turntrans-81.1-14.7174.670.9-96.2000113.4F388F388-F390 HydrophobicContact CB-CD1 3.51Å; F388-F390 HydrophobicContact CB-CE1 3.24Å; F388-F390 HydrophobicContact CB-CG 4.48Å; F388-F390 HydrophobicContact CB-CZ 4.03Å; F388-F390 HydrophobicContact CD2-CE1 4.03Å; F388-F390 HydrophobicContact CD2-CZ 4.3Å; F388-F390 HydrophobicContact CG-CD1 4.41Å; F388-F390 AromaticContact CG-CE1 3.72Å; F388-F390 HydrophobicContact CG-CE1 3.72Å; F388-F390 HydrophobicContact CG-CZ 4.42Å; F388-F390 PolarHBondContact O-N 2.74Å
391R88.3Confident90Very high66 Ų6682.3 Ų82.325%0.24941%0.409CS..  trans-80.2132.7-176.2-69.9-176.9153.2171.6-16.9110.6W378 F388 N395W378-R391 PolarHBondContact NE1-O 2.96Å; F388-R391 HydrophobicContact CB-CG 4.43Å; F388-R391 WeakPolarHBondContact O-CB 3.49Å; F388-R391 PolarHBondContact O-N 2.85Å; R391-N395 PolarHBondContact NH1-ND2 2.97Å; R391-N395 VanDerWaalsContact NH1-ND2 3.14Å; R391-N395 PolarHBondContact NH1-OD1 2.96Å; R391-N395 PolarHBondContact NH2-OD1 3.45Å
392Q89Confident89.8Confident118 Ų11877.3 Ų77.355%0.55139%0.387SS*.SBendtrans-90.3-11.3172.3-57.9-60.9-3.400113.1R401Q392-R401 PolarHBondContact O-N 2.75Å
393Q92.1Very high88.9Confident120 Ų12078.9 Ų78.956%0.56140%0.4SS*.BIsolated β-bridgetrans-135.7149.4-179.4-65.4173.926.400110.4N395 A399Q393-N395 PolarHBondContact O-N 3.4Å; Q393-A399 CarbonylContact C-O 3.52Å; Q393-A399 VanDerWaalsContact CA-O 3.32Å; Q393-A399 WeakPolarHBondContact CA-O 3.25Å
394C93.3Very high87.4Confident4 Ų480.5 Ų80.53%0.02742%0.424CS..  trans-66.3133179.6-1790000111.2W378 C380 C383 N387 K396 C397 R398 A399W378-C394 HydrophobicContact CH2-CB 3.99Å; C380-C394 HydrophobicContact CB-CB 3.78Å; C380-C394 WeakPolarHBondContact CB-SG 2.8Å; C380-C394 VanDerWaalsContact SG-SG 3.66Å; C383-C394 PolarHBondContact SG-SG 3.5Å; N387-C394 WeakPolarHBondContact OD1-CA 3.28Å; C394-K396 PolarHBondContact O-N 2.73Å; C394-K396 VanDerWaalsContact O-N 3.13Å; C394-K396 PolarHBondContact SG-N 3.43Å; C394-K396 VanDerWaalsContact SG-N 3.37Å; C394-C397 VanDerWaalsContact CB-SG 3.57Å; C394-C397 VanDerWaalsContact SG-SG 3.6Å; C394-R398 WeakPolarHBondContact O-CA 3.49Å; C394-R398 PolarHBondContact O-N 2.95Å; C394-A399 HydrophobicContact CB-CB 4.41Å; C394-A399 PolarHBondContact N-O 3.43Å
395N92.2Very high86Confident104 Ų10482.7 Ų82.756%0.55644%0.436SS*.THydrogen-bonded Turntrans-62.5-21.2177.1-162.932.5000113.9N387 R391 Q393N387-N395 PolarHBondContact OD1-N 2.86Å; R391-N395 PolarHBondContact NH1-ND2 2.97Å; R391-N395 VanDerWaalsContact NH1-ND2 3.14Å; R391-N395 PolarHBondContact NH1-OD1 2.96Å; R391-N395 PolarHBondContact NH2-OD1 3.45Å; Q393-N395 PolarHBondContact O-N 3.4Å
396K90.3Very high84Confident155 Ų15582.4 Ų82.467%0.67444%0.443SS*.THydrogen-bonded Turntrans-103.7-47.7-171.2-167.9171.5-161.9-74.60112.6N385 C394N385-K396 HydrophobicContact CB-CB 3.79Å; N385-K396 HydrophobicContact CB-CD 4.06Å; C394-K396 PolarHBondContact O-N 2.73Å; C394-K396 VanDerWaalsContact O-N 3.13Å; C394-K396 PolarHBondContact SG-N 3.43Å; C394-K396 VanDerWaalsContact SG-N 3.37Å
397C93.4Very high81.7Confident52 Ų5283.1 Ų83.135%0.35146%0.457SS..THydrogen-bonded Turntrans-115.6-0.4-176.466.70000114.2C380 C383 C394 A399C380-C397 PolarHBondContact SG-SG 2.88Å; C383-C397 HydrophobicContact CB-CB 3.96Å; C383-C397 PolarHBondContact SG-SG 3.25Å; C394-C397 VanDerWaalsContact CB-SG 3.57Å; C394-C397 VanDerWaalsContact SG-SG 3.6Å; C397-A399 PolarHBondContact O-N 2.68Å; C397-A399 VanDerWaalsContact SG-CB 3.5Å
398R91.6Very high79.6Confident202 Ų20291.9 Ų91.976%0.76250%0.498SS*.  trans60.79.1-176.9-51.7-179.4-179.3-170.8-0.6115.7C394C394-R398 WeakPolarHBondContact O-CA 3.49Å; C394-R398 PolarHBondContact O-N 2.95Å
399A90.8Very high77.3Confident10 Ų1096.8 Ų96.88%0.08352%0.524CS..PPolyproline II helixtrans-59145.3173.800000111.7H382 Q393 C394 C397H382-A399 HydrophobicContact CB-CB 3.94Å; H382-A399 WeakPolarHBondContact CD2-CB 3.37Å; Q393-A399 CarbonylContact C-O 3.52Å; Q393-A399 VanDerWaalsContact CA-O 3.32Å; Q393-A399 WeakPolarHBondContact CA-O 3.25Å; C394-A399 HydrophobicContact CB-CB 4.41Å; C394-A399 PolarHBondContact N-O 3.43Å; C397-A399 PolarHBondContact O-N 2.68Å; C397-A399 VanDerWaalsContact SG-CB 3.5Å
400P90.6Very high75.1Confident90 Ų9099 Ų9958%0.58455%0.548SS*.BIsolated β-bridgetrans-63.8152.4178.428.2-34.5000111
401R87.9Confident72.9Confident31 Ų3197 Ų9712%0.11755%0.553CS.*PPolyproline II helixtrans-60.1133.9166.3-178.4-177.1-174.4153.89.1108.6W378 G389 Q392 D403 D405 G406W378-R401 HydrophobicContact CD2-CB 4.21Å; W378-R401 HydrophobicContact CD2-CG 3.86Å; W378-R401 HydrophobicContact CE3-CB 4.38Å; W378-R401 HydrophobicContact CE3-CG 4.21Å; W378-R401 HydrophobicContact CG-CG 4.07Å; W378-R401 HydrophobicContact CH2-CB 4.08Å; W378-R401 HydrophobicContact CZ2-CB 3.9Å; W378-R401 HydrophobicContact CZ2-CG 4.43Å; W378-R401 HydrophobicContact CZ3-CB 4.31Å; G389-R401 PolarHBondContact O-NH1 2.87Å; Q392-R401 PolarHBondContact O-N 2.75Å; R401-D403 PolarHBondContact O-N 3.23Å; R401-D405 PolarHBondContact NH2-O 2.96Å; R401-G406 VanDerWaalsContact CZ-CA 3.45Å
402P83.6Confident70.9Confident41 Ų4198.2 Ų98.227%0.26657%0.571SS.*PPolyproline II helixtrans-63127.9174.225-31.7000110.1M381 G404M381-P402 HydrophobicContact CG-CB 4.32Å; M381-P402 HydrophobicContact CG-CG 4.11Å; P402-G404 PolarHBondContact O-N 2.83Å; P402-G404 VanDerWaalsContact O-N 3.08Å
403D69.7Low68.9Low176 Ų176100 Ų10094%0.94158%0.584SS**THydrogen-bonded Turntrans-63.7106.7176.7-63.6-55.4000109.1R401R401-D403 PolarHBondContact O-N 3.23Å
404G60.8Low67Low75 Ų75101 Ų10177%0.77359%0.594SS**THydrogen-bonded Turntrans153.2-28.3178.400000115.8P402P402-G404 PolarHBondContact O-N 2.83Å; P402-G404 VanDerWaalsContact O-N 3.08Å
405D57.9Low64.9Low129 Ų129108.5 Ų108.569%0.6963%0.633SS**SBendtrans-102.87.2179-80.8-56.7000113.4R401R401-D405 PolarHBondContact NH2-O 2.96Å
406G49.2Very low62.6Low38 Ų38115.1 Ų115.139%0.39265%0.653SS.*  trans-108.490.4-178.800000111.8R401 Q408R401-G406 VanDerWaalsContact CZ-CA 3.45Å; G406-Q408 PolarHBondContact O-N 3.17Å
407G42.6Very low60.3Low81 Ų81110.7 Ų110.784%0.83565%0.65SS**  trans-45.7128.8164.600000110.3M409G407-M409 PolarHBondContact O-N 3.37Å
408Q44.5Very low58.1Low186 Ų186112.6 Ų112.687%0.86966%0.662SS**  trans-33.1127.9-173.9-73.9158.317.400113.3G406 G410G406-Q408 PolarHBondContact O-N 3.17Å; Q408-G410 PolarHBondContact O-N 2.97Å
409M41.6Very low55.7Low187 Ų187109.3 Ų109.392%0.92167%0.667SS**  trans-53.671.9151.251.1-168.3174.200110.2G407G407-M409 PolarHBondContact O-N 3.37Å
410G40.6Very low53.4Low60 Ų60116.5 Ų116.562%0.61970%0.697SS**  trans-93.197.5168.500000108.2Q408 S412Q408-G410 PolarHBondContact O-N 2.97Å; G410-S412 PolarHBondContact O-N 3.4Å
411S40.9Very low51.2Low113 Ų113118.7 Ų118.779%0.7971%0.708SS**  trans-42.398.9160.7178.60000110.8
412S47.1Very low49.1Very low90 Ų90121.5 Ų121.563%0.62974%0.738SS**  trans-166.168.2164.9-74.90000108.7G410 N414G410-S412 PolarHBondContact O-N 3.4Å; S412-N414 PolarHBondContact O-N 3.44Å
413D46.5Very low46.9Very low155 Ų155127.6 Ų127.683%0.82977%0.769SS**THydrogen-bonded Turntrans-58.186.1158.4-65.3-78.4000109.2
414N50.9Low45.7Very low142 Ų142130.7 Ų130.776%0.75977%0.767SS**THydrogen-bonded Turntrans-152.6-0.8168.4-80.8-52000115.9S412 Y416S412-N414 PolarHBondContact O-N 3.44Å; N414-Y416 VanDerWaalsContact C-N 3.35Å; N414-Y416 PolarHBondContact O-N 3.02Å
415D50.7Low44.7Very low161 Ų161130.6 Ų130.686%0.86177%0.766SS**  trans-91.720.3-176.9-73.6-65.5000115.5
416Y43.2Very low43.8Very low244 Ų244127.9 Ų127.996%0.95777%0.768SS**  trans-105.260.9159.8-98.8-87.7000109.5N414N414-Y416 VanDerWaalsContact C-N 3.35Å; N414-Y416 PolarHBondContact O-N 3.02Å
417G42.1Very low43.9Very low61 Ų61132.1 Ų132.163%0.62979%0.789SS**  trans-87.1127.7167.500000110.8
418P46.7Very low44Very low93 Ų93134.5 Ų134.560%0.60479%0.79SS**  trans-68.1160.5-174.927.6-32.5000112.5F420P418-F420 HydrophobicContact CG-CE1 4.19Å; P418-F420 VanDerWaalsContact O-CD1 3.32Å; P418-F420 WeakPolarHBondContact O-CD1 3.32Å; P418-F420 PolarHBondContact O-N 3.15Å; P418-F420 VanDerWaalsContact O-N 3.15Å
419P41.4Very low44Very low132 Ų132137.6 Ų137.686%0.85779%0.793SS**  trans-76.3110-160.630.9-32.9000111
420F42.7Very low43.9Very low161 Ų161132 Ų13271%0.70678%0.783SS**  trans-156.6117.116153.6-88000113.1P418P418-F420 HydrophobicContact CG-CE1 4.19Å; P418-F420 VanDerWaalsContact O-CD1 3.32Å; P418-F420 WeakPolarHBondContact O-CD1 3.32Å; P418-F420 PolarHBondContact O-N 3.15Å; P418-F420 VanDerWaalsContact O-N 3.15Å
421V44.9Very low43.8Very low137 Ų137132 Ų13283%0.8378%0.783SS**  trans79.1123.6132.9-173.40000119.1
422A43.3Very low43.9Very low90 Ų90136.8 Ų136.874%0.74479%0.791SS**  trans75.988.6149.600000119.1R424A422-R424 PolarHBondContact O-N 3.48Å
423N38.5Very low43.5Very low169 Ų169135.8 Ų135.890%0.90479%0.794SS**  trans-80.1104.1149.2-153.3-7.2000108.6
424R44.3Very low43.3Very low241 Ų241140.5 Ų140.591%0.90980%0.8SS**  trans-146.5100.2152-157.6172.4-143.3166.66.6109.2A422A422-R424 PolarHBondContact O-N 3.48Å
425G38.3Very low42.7Very low73 Ų73137.6 Ų137.675%0.75380%0.804SS**  trans-68.1157.5-172.300000115.7
426G40.7Very low42.2Very low71 Ų71133.4 Ų133.473%0.73280%0.799SS**  trans-147.4132.6153.600000107.9
427P50.4Low42.1Very low128 Ų128133.7 Ų133.783%0.83180%0.798SS**  trans-93.1159.4-177.135.2-31.7000112.9
428P45.4Very low41.8Very low131 Ų131133.9 Ų133.985%0.85180%0.8SS**  trans-94.1132-173.635.7-30.2000112.8
429R45Very low41.6Very low251 Ų251135 Ų13595%0.94780%0.801SS**  trans-154.6126.1160-96.5-176.5172.1-177.6-2.4104.2
430G39.1Very low41.7Very low69 Ų69138.4 Ų138.471%0.71180%0.798SS**  cis129.6116.528.400000106
431G37.8Very low41.6Very low60 Ų60133.4 Ų133.462%0.61979%0.792SS**  trans81.1145.4154.100000118.7
432F42.4Very low41.4Very low214 Ų214133.6 Ų133.694%0.93979%0.788SS**  trans73.4121.6161.6-33.2-74.2000114.2
433G40.2Very low41.6Very low68 Ų68136.4 Ų136.470%0.70179%0.788SS**  cis141.4133.919.800000107.1
434R42.3Very low41.8Very low254 Ų254139.5 Ų139.596%0.95879%0.787SS**  trans55.7111.9155.7-59.2-167.6-168.6-98.34.9119.1
435G36.9Very low41.8Very low82 Ų82132 Ų13285%0.84579%0.785SS**  99.3148.8108.600000118.1
436G40.4Very low42Very low72 Ų72132.2 Ų132.274%0.74279%0.787SS**  trans100.890.8161.400000112.7
437R40.6Very low42.1Very low251 Ų251132.9 Ų132.995%0.94779%0.793SS**  71.1126.281.2-84-146.3-168.5-85.72.6113.9
438G37.2Very low41.8Very low65 Ų65131 Ų13167%0.6780%0.798SS**  trans70160149.600000113.2
439D42.5Very low41.7Very low117 Ų117127.6 Ų127.663%0.62679%0.786SS**  cis-179136.623.8-120.8-173.2000106.8
440Y42.8Very low41.9Very low203 Ų203126.8 Ų126.880%0.79679%0.785SS**  trans63.1129.1159.4-41-63.3000117.9
441G41.4Very low42.2Very low56 Ų56126.5 Ų126.558%0.57778%0.782SS**  cis106.2132.842.700000107.7
442D40.8Very low42.6Very low141 Ų141136 Ų13675%0.75480%0.799SS**  trans71.7137.9156.5-60.5-68.6000115.6
443M47.4Very low42.8Very low148 Ų148129.8 Ų129.873%0.72980%0.796SS**  cis-175.213319.7-109.3170.7-14400104.6
444R42.6Very low42.9Very low234 Ų234130.1 Ų130.188%0.88380%0.799SS**  85113.5104.8-158.9-176.5-157-174.45.4116.4
445G43.7Very low43.7Very low84 Ų84123.5 Ų123.587%0.86679%0.789SS**  trans87.3139.4150.800000115.5
446G42.6Very low44.4Very low78 Ų78125.7 Ų125.780%0.80479%0.788SS**  cis165.2157.5700000109.7
447G42.4Very low44.8Very low84 Ų84134 Ų13487%0.86680%0.797SS**  trans80118166.500000114.7
448G44Very low44.9Very low89 Ų89125.8 Ų125.892%0.91879%0.791SS**  cis105.9128.34800000107.4
449G44.4Very low45.3Very low59 Ų59126.6 Ų126.661%0.60880%0.8SS**  cis-171.9-177.91.200000110.8
450Y48.2Very low45.6Very low234 Ų234132 Ų13292%0.91881%0.811SS**  trans38.6135.7153.969.4-90.5000120
451G45.6Very low45.6Very low64 Ų64128.4 Ų128.466%0.6681%0.806SS**  cis165.8173.15.800000111.8
452R47Very low46Very low258 Ų258131.4 Ų131.497%0.97482%0.818SS**  trans61.7128.1160.2-56.3-168.9-168.3-119.86.6116.4
453G46.8Very low46.5Very low85 Ų85134.1 Ų134.188%0.87682%0.823SS**  cis157.5139.610.300000108.3
454G42Very low46.5Very low74 Ų74131.2 Ų131.276%0.76383%0.831SS**  trans158.4100173.400000112.2
455P58.7Low46.5Very low116 Ų116123.5 Ų123.575%0.75382%0.824SS**  trans-97.7162.7-161.736.4-33.9000114.9
456P50.9Low47.3Very low127 Ų127125.1 Ų125.183%0.82582%0.819SS**  trans-97.5117.7160.834.2-23.8000110.7
457R49.7Very low47.7Very low246 Ų246129.3 Ų129.393%0.92882%0.82SS**  trans-157.9129.1164.7-71.5-168.1176.6173.5-2.7105.3
458G41.5Very low48.2Very low80 Ų80136.2 Ų136.283%0.82582%0.82SS**  cis120.3136.843.200000107.1
459G46.3Very low48.6Very low82 Ų82136.9 Ų136.985%0.84581%0.81SS**  trans96.4147.2174.400000113.6
460R48Very low48.9Very low231 Ų231139.9 Ų139.987%0.87281%0.813SS**  cis-167141.82.8171.7-179.9-107.3-173.9-6.8106.1
461D43.9Very low49Very low126 Ų126136.9 Ų136.967%0.67481%0.807SS**  trans-41.3140.2171.5-32.6-75.4000114.5F463D461-F463 HydrophobicContact CB-CD2 4.34Å; D461-F463 HydrophobicContact CB-CE2 4.3Å
462S49.1Very low49.4Very low119 Ų119137.7 Ų137.783%0.83282%0.815SS**  trans-160.488.4155.2-73.20000106.8
463F50.9Low49.7Very low199 Ų199133 Ų13387%0.87385%0.847SS**  55118.890.4-78.5-82.2000115.4D461D461-F463 HydrophobicContact CB-CD2 4.34Å; D461-F463 HydrophobicContact CB-CE2 4.3Å
464G47.4Very low49.9Very low86 Ų86135.4 Ų135.489%0.88785%0.845SS**  trans92.9122.7159.500000113.9
465G44.2Very low50.3Low72 Ų72138.6 Ų138.674%0.74285%0.85SS**  cis172.5165.410.100000107.4
466P59.2Low49.8Very low118 Ų118139.9 Ų139.977%0.76686%0.855SS**  trans-101.1-162.1-161.137.6-29.3000113.1
467M51.5Low49.8Very low167 Ų167140.6 Ų140.682%0.82386%0.857SS**  trans112.998.6161.8-42.6-122.9-169.800112.4
468R52.6Low49.8Very low229 Ų229134.1 Ų134.186%0.86485%0.852SS**  75.9120.582.8-83.7-172.7174.6-1220.2114.4
469S52.9Low50.3Low102 Ų102137.7 Ų137.771%0.71385%0.854SS**  trans86113.5132.9-620000120.6
470N50.8Low50.6Low123 Ų123141.6 Ų141.666%0.65886%0.855SS**  91.2140.5113.7-158.231000120
471H49.4Very low50.8Low171 Ų171134.8 Ų134.879%0.79285%0.854SS**  trans68.5134.6168.9-61.5-34.3000116
472G53.9Low51.4Low81 Ų81135.5 Ų135.584%0.83587%0.869SS**  cis128118.928.400000105.8
473G55Low51.6Low159 Ų159137 Ų137100%1.63987%0.872SS**  trans154.20-17600000111.8

Retrieved 473 of 473 residues in 85.3 ms (Link to these results)