A0A077ZEV9_TRITR Loading...

Synaptotagmin 15

AlphaFold DB , UniProt , Accession A0A077ZEV9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 361 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.1Very low40Very low246 Ų246147.9 Ų147.9100%1.21271%0.71SS**  095.50-75.6179.1172.200109.8
2K31.6Very low40.5Very low206 Ų206148.5 Ų148.590%0.89671%0.712SS**  trans-119.2111.1158.7-77.6-175.1176.5179.10105.1
3R35.3Very low41Very low247 Ų247143.1 Ų143.193%0.93269%0.688SS**PPolyproline II helixtrans-70.8125.1177.7-80.3175.9169.6162-4.5108M5R3-M5 PolarHBondContact O-N 3.22Å
4N39.6Very low41.3Very low99 Ų99137.6 Ų137.653%0.52967%0.668SS.*PPolyproline II helixtrans-60.4127.6165.2-70.8-17.1000107.9Y6N4-Y6 HydrophobicContact CB-CE2 4.46Å
5M37Very low41.3Very low171 Ų171137.1 Ų137.184%0.84268%0.683SS**PPolyproline II helixtrans-100.7121180-157.3-174.6-85.200107.5R3R3-M5 PolarHBondContact O-N 3.22Å
6Y45.2Very low41.6Very low134 Ų134136 Ų13653%0.52568%0.681SS.*PPolyproline II helixtrans-99.5137.4174-57.4-81.8000108.9N4 L26 L28N4-Y6 HydrophobicContact CB-CE2 4.46Å; Y6-L26 HydrophobicContact CD1-CD2 3.84Å; Y6-L28 HydrophobicContact CE1-CD2 3.91Å
7C41.6Very low41.7Very low86 Ų86139.5 Ų139.558%0.58169%0.694SS**  trans-118.2113.6176.5-159.20000109.4
8L45.2Very low41.9Very low108 Ų108135.9 Ų135.957%0.56569%0.685SS**  trans-97130.1172.9-86.9146000108.9I24L8-I24 HydrophobicContact CD2-CB 4.35Å; L8-I24 HydrophobicContact CD2-CG1 4.05Å; L8-I24 HydrophobicContact CD2-CG2 3.79Å
9S43.6Very low41.9Very low77 Ų77136 Ų13654%0.53868%0.683SS.*  trans-126.8118.6174.5177.40000109.9
10L43.1Very low42.2Very low104 Ų104134.4 Ų134.455%0.54567%0.671SS.*  trans-88.8136.1173.2-94141.5000110L22L10-L22 HydrophobicContact CD2-CD1 3.47Å; L10-L22 VanDerWaalsContact CD2-CD1 3.47Å; L10-L22 HydrophobicContact CD2-CG 3.75Å; L10-L22 HydrophobicContact CG-CD1 4.46Å; L10-L22 HydrophobicContact CG-CG 4.47Å
11K46Very low42.4Very low149 Ų149131 Ų13165%0.64866%0.655SS**  trans-135.8120.7173.9-153.7176.9-173.2-177.30109.7
12Q46.3Very low43.1Very low155 Ų155121 Ų12172%0.72461%0.606SS**  trans-70.6132.1172.9-174.2179.1-3.500109.7
13I46.9Very low43.8Very low78 Ų78114.2 Ų114.240%0.458%0.577SS.*  trans-119.7-10.6-170.5-71.8161.4000114.1W39I13-W39 HydrophobicContact CD1-CH2 3.53Å; I13-W39 HydrophobicContact CD1-CZ3 3.36Å
14T44.3Very low44.6Very low67 Ų67104.7 Ų104.741%0.41154%0.544SS..  trans-142.2144.2-177.649.90000113.3D16 Q19T14-D16 VanDerWaalsContact C-N 3.29Å; T14-D16 PolarHBondContact O-N 3.42Å; T14-Q19 PolarHBondContact OG1-O 3.02Å
15S42.1Very low44.9Very low129 Ų129101.4 Ų101.490%0.90253%0.529SS*.SBendtrans-90.723.2-179.375.90000113.5
16D46Very low45.4Very low120 Ų12097.4 Ų97.464%0.64251%0.511SS*.SBendtrans-118.9125.1-179-159.2-1.5000109.1T14 S18T14-D16 VanDerWaalsContact C-N 3.29Å; T14-D16 PolarHBondContact O-N 3.42Å; D16-S18 PolarHBondContact O-N 3.17Å
17Q43.1Very low45.4Very low195 Ų19593.3 Ų93.391%0.91150%0.502SS*.THydrogen-bonded Turntrans-71.524.2-156.3-75.1-145.4-18.200116.2
18S45.2Very low45.4Very low75 Ų7594.1 Ų94.152%0.52450%0.499SS..THydrogen-bonded Turntrans-140.9-2.4-168.848.70000116.3D16D16-S18 PolarHBondContact O-N 3.17Å
19Q42.5Very low45Very low138 Ų13898.4 Ų98.465%0.64551%0.509SS*.  trans-140.6120178.3-63-170.4-1.600112.4T14T14-Q19 PolarHBondContact OG1-O 3.02Å
20F47.9Very low44.7Very low103 Ų103100.5 Ų100.545%0.45252%0.521SS..EExtended strand (participates in β ladder)trans-103.3130.7170.5-60-88.7000109.3V42F20-V42 PolarHBondContact N-O 2.92Å; F20-V42 PolarHBondContact O-N 2.87Å
21L45.3Very low44.8Very low63 Ų63100.1 Ų100.133%0.3352%0.523SS..EExtended strand (participates in β ladder)trans-102.3114.4169.7-80.8174.3000109.1W39L21-W39 HydrophobicContact CB-CE3 3.84Å; L21-W39 HydrophobicContact CB-CZ3 3.92Å; L21-W39 HydrophobicContact CD1-CE3 3.97Å; L21-W39 HydrophobicContact CD1-CZ3 4.06Å; L21-W39 HydrophobicContact CD2-CB 4.4Å; L21-W39 HydrophobicContact CD2-CE3 4.12Å; L21-W39 HydrophobicContact CG-CE3 4.2Å
22L48Very low44.3Very low36 Ų3697.3 Ų97.319%0.18854%0.537CS..EExtended strand (participates in β ladder)trans-85.6119.6177.1-142.1109.8000109L10 I24 M40 V42L10-L22 HydrophobicContact CD2-CD1 3.47Å; L10-L22 VanDerWaalsContact CD2-CD1 3.47Å; L10-L22 HydrophobicContact CD2-CG 3.75Å; L10-L22 HydrophobicContact CG-CD1 4.46Å; L10-L22 HydrophobicContact CG-CG 4.47Å; L22-I24 HydrophobicContact CD2-CD1 3.99Å; L22-I24 HydrophobicContact CD2-CG1 3.77Å; L22-M40 PolarHBondContact N-O 3.26Å; L22-M40 VanDerWaalsContact N-O 3.14Å; L22-V42 HydrophobicContact CB-CG2 4.44Å; L22-V42 HydrophobicContact CD1-CG2 4.43Å
23K46.2Very low43.9Very low64 Ų6495.9 Ų95.928%0.27853%0.533SS..EExtended strand (participates in β ladder)trans-100.1103.1173.4-175.5179.1-179.11760109.6H37K23-H37 WeakPolarHBondContact CE-CE1 3.3Å; K23-H37 WeakPolarHBondContact CE-ND1 3.32Å; K23-H37 PolarHBondContact NZ-CE1 2.94Å; K23-H37 VanDerWaalsContact NZ-CE1 3.34Å
24I52.4Low43.6Very low47 Ų47103.7 Ų103.724%0.24156%0.558CS.*EExtended strand (participates in β ladder)trans-87.3125.2172.2-59.6175000108.1L8 L22 L26L8-I24 HydrophobicContact CD2-CB 4.35Å; L8-I24 HydrophobicContact CD2-CG1 4.05Å; L8-I24 HydrophobicContact CD2-CG2 3.79Å; L22-I24 HydrophobicContact CD2-CD1 3.99Å; L22-I24 HydrophobicContact CD2-CG1 3.77Å; I24-L26 HydrophobicContact CG2-CD1 4.49Å; I24-L26 HydrophobicContact CG2-CG 4.19Å
25S44.6Very low43.6Very low31 Ų31104.2 Ų104.222%0.21756%0.561CS.*  trans-119.4112.3172.3-56.60000107.7
26L48.3Very low43.8Very low87 Ų87101.5 Ų101.546%0.45554%0.542SS..  trans-96.2122174.8-73.6159000108.5Y6 I24Y6-L26 HydrophobicContact CD1-CD2 3.84Å; I24-L26 HydrophobicContact CG2-CD1 4.49Å; I24-L26 HydrophobicContact CG2-CG 4.19Å
27S44.2Very low43.8Very low48 Ų48100.2 Ų100.234%0.33653%0.532SS..  trans-116.2122.8170.856.10000109.5
28L42.7Very low44Very low102 Ų10298 Ų9853%0.53452%0.52SS..  trans-105109.9174.5-77.9162.1000108.5Y6 V31Y6-L28 HydrophobicContact CE1-CD2 3.91Å; L28-V31 VanDerWaalsContact O-O 3.12Å
29Y35.7Very low44Very low198 Ų198101.1 Ų101.178%0.77652%0.52SS*.SBendtrans-94.3138.7168.4-87-92.8000109.6
30P38.6Very low44.2Very low121 Ų12198.9 Ų98.979%0.78651%0.51SS*.SBendcis-106.513.123.239.4-33.7000115.7
31V44.3Very low44.2Very low96 Ų9697.9 Ų97.958%0.58252%0.521SS*.SBendtrans-106.5111.7-170-1660000110.1L28 L33L28-V31 VanDerWaalsContact O-O 3.12Å; V31-L33 VanDerWaalsContact C-N 3.29Å; V31-L33 HydrophobicContact CG1-CD1 4.11Å; V31-L33 PolarHBondContact O-N 3.29Å
32G36.3Very low44.5Very low91 Ų9196 Ų9694%0.93851%0.512SS*.  trans-65.671.7-173.200000115.6
33L38Very low44.3Very low125 Ų125102.3 Ų102.365%0.65454%0.541SS*.  trans-105.2149.4175.6-97.5135.2000112.9V31V31-L33 VanDerWaalsContact C-N 3.29Å; V31-L33 HydrophobicContact CG1-CD1 4.11Å; V31-L33 PolarHBondContact O-N 3.29Å
34R40.3Very low44.1Very low242 Ų242108 Ų10891%0.91357%0.569SS**PPolyproline II helixtrans-61.1133.2-163-144.4174.9-173.7-179.30.8112.9S36R34-S36 PolarHBondContact O-N 2.88Å
35V44.1Very low43.9Very low78 Ų78109 Ų10947%0.47358%0.576SS.*PPolyproline II helixtrans-68.4116.5173.7-176.80000109.7H37V35-H37 WeakPolarHBondContact CG1-CE1 3.37Å
36S46.9Very low44.1Very low72 Ų72113.3 Ų113.350%0.50360%0.597SS.*PPolyproline II helixtrans-89.7127164.354.70000109.5R34R34-S36 PolarHBondContact O-N 2.88Å
37H45.1Very low44.1Very low93 Ų93116 Ų11643%0.43161%0.607SS.*PPolyproline II helixtrans-99124173.8-69.9-48.9000109.9K23 V35K23-H37 WeakPolarHBondContact CE-CE1 3.3Å; K23-H37 WeakPolarHBondContact CE-ND1 3.32Å; K23-H37 PolarHBondContact NZ-CE1 2.94Å; K23-H37 VanDerWaalsContact NZ-CE1 3.34Å; V35-H37 WeakPolarHBondContact CG1-CE1 3.37Å
38F47.9Very low44.1Very low149 Ų149123.8 Ų123.865%0.65463%0.629SS**EExtended strand (participates in β ladder)trans-109.4141.6167.7-86.4-92.8000110
39W44.7Very low44.5Very low140 Ų140121.2 Ų121.253%0.5362%0.62SS.*EExtended strand (participates in β ladder)trans-110.5122.7173.7-64.9103.4000108.1I13 L21I13-W39 HydrophobicContact CD1-CH2 3.53Å; I13-W39 HydrophobicContact CD1-CZ3 3.36Å; L21-W39 HydrophobicContact CB-CE3 3.84Å; L21-W39 HydrophobicContact CB-CZ3 3.92Å; L21-W39 HydrophobicContact CD1-CE3 3.97Å; L21-W39 HydrophobicContact CD1-CZ3 4.06Å; L21-W39 HydrophobicContact CD2-CB 4.4Å; L21-W39 HydrophobicContact CD2-CE3 4.12Å; L21-W39 HydrophobicContact CG-CE3 4.2Å
40M47.6Very low45Very low90 Ų90113.9 Ų113.944%0.44359%0.594SS.*EExtended strand (participates in β ladder)trans-119.4131.7167.7-80.9176.461.200109.2L22L22-M40 PolarHBondContact N-O 3.26Å; L22-M40 VanDerWaalsContact N-O 3.14Å
41A46.4Very low45.6Very low83 Ų83113.4 Ų113.469%0.68658%0.584SS**EExtended strand (participates in β ladder)trans-78.4124.716700000108.5
42V53Low45.8Very low22 Ų22117.3 Ų117.313%0.13360%0.596CS.*EExtended strand (participates in β ladder)trans-120.3121.2177.8-175.30000108.5F20 L22 V45 L50F20-V42 PolarHBondContact N-O 2.92Å; F20-V42 PolarHBondContact O-N 2.87Å; L22-V42 HydrophobicContact CB-CG2 4.44Å; L22-V42 HydrophobicContact CD1-CG2 4.43Å; V42-V45 HydrophobicContact CG1-CB 4.05Å; V42-V45 HydrophobicContact CG1-CG2 3.72Å; V42-L50 HydrophobicContact CG1-CD1 4.21Å
43Q44.2Very low46.5Very low169 Ų169117 Ų11779%0.7958%0.579SS**  trans-86111.8168.5-93.8-179.7-2800108.9V45Q43-V45 WeakPolarHBondContact O-CG2 3.25Å; Q43-V45 PolarHBondContact O-N 3.4Å
44Q41.7Very low47.1Very low185 Ų185113.6 Ų113.686%0.86456%0.561SS**SBendtrans36.575.2162.6-157.7173.18.600114.9
45V47.3Very low47.6Very low66 Ų66105.7 Ų105.740%0.454%0.537SS..  trans-125.4133.6175.6-171.20000110V42 Q43 E47 S49 L50V42-V45 HydrophobicContact CG1-CB 4.05Å; V42-V45 HydrophobicContact CG1-CG2 3.72Å; Q43-V45 WeakPolarHBondContact O-CG2 3.25Å; Q43-V45 PolarHBondContact O-N 3.4Å; V45-E47 PolarHBondContact O-N 2.79Å; V45-S49 WeakPolarHBondContact CG1-OG 3.4Å; V45-L50 HydrophobicContact CB-CD1 3.89Å; V45-L50 HydrophobicContact CB-CD2 4.32Å; V45-L50 HydrophobicContact CB-CG 4Å; V45-L50 HydrophobicContact CG1-CD1 4.05Å; V45-L50 HydrophobicContact CG1-CD2 4.02Å; V45-L50 HydrophobicContact CG1-CG 3.62Å
46D49.3Very low47.8Very low123 Ų123107.3 Ų107.366%0.65854%0.543SS*.  trans-57.1122.3179.6-159.8-5.8000110.9R48 S49D46-R48 PolarHBondContact O-N 2.83Å; D46-S49 PolarHBondContact O-N 3.4Å; D46-S49 PolarHBondContact O-OG 3.17Å
47E48.1Very low47.8Very low143 Ų143111.6 Ų111.667%0.66856%0.555SS**Hα-helixtrans-53.5-28.5-168.6-93.4-176.3155.400113.7V45V45-E47 PolarHBondContact O-N 2.79Å
48R44.8Very low47.8Very low211 Ų211113.5 Ų113.580%0.79657%0.567SS**Hα-helixtrans-82.3-25.1-179-64.9-178.1179.5178.30.5113.5D46D46-R48 PolarHBondContact O-N 2.83Å
49S49.7Very low47.7Very low49 Ų49113.6 Ų113.634%0.34356%0.564SS.*Hα-helixtrans-83.6-24.3-176.369.70000113.8V45 D46 S53V45-S49 WeakPolarHBondContact CG1-OG 3.4Å; D46-S49 PolarHBondContact O-N 3.4Å; D46-S49 PolarHBondContact O-OG 3.17Å; S49-S53 VanDerWaalsContact O-CB 3.29Å; S49-S53 WeakPolarHBondContact O-CB 3.37Å; S49-S53 PolarHBondContact O-N 3.34Å; S49-S53 VanDerWaalsContact O-N 3.1Å; S49-S53 PolarHBondContact O-OG 2.87Å
50L47.4Very low47.6Very low43 Ų43111.4 Ų111.423%0.22557%0.566CS.*Hα-helixtrans-70.8-39.2179.8-82.8162.7000113V42 V45 E52 S53 L54V42-L50 HydrophobicContact CG1-CD1 4.21Å; V45-L50 HydrophobicContact CB-CD1 3.89Å; V45-L50 HydrophobicContact CB-CD2 4.32Å; V45-L50 HydrophobicContact CB-CG 4Å; V45-L50 HydrophobicContact CG1-CD1 4.05Å; V45-L50 HydrophobicContact CG1-CD2 4.02Å; V45-L50 HydrophobicContact CG1-CG 3.62Å; L50-E52 VanDerWaalsContact C-N 3.34Å; L50-S53 WeakPolarHBondContact CA-OG 3.38Å; L50-S53 PolarHBondContact O-N 3.42Å; L50-S53 PolarHBondContact O-OG 3.08Å; L50-L54 WeakPolarHBondContact O-CB 3.4Å; L50-L54 WeakPolarHBondContact O-CD1 3.22Å; L50-L54 VanDerWaalsContact O-CG 3.22Å; L50-L54 WeakPolarHBondContact O-CG 3.33Å; L50-L54 PolarHBondContact O-N 3.09Å; L50-L54 VanDerWaalsContact O-N 3.11Å
51I51.4Low47.2Very low112 Ų112111.9 Ų111.957%0.57458%0.578SS**Hα-helixtrans-72.7-32.8-177.9-61.9175.4000110.7
52E47.8Very low47Very low178 Ų178109.9 Ų109.983%0.83257%0.566SS**Hα-helixtrans-79.8-23.5176.8-68.2-177.3167.500113.3L50L50-E52 VanDerWaalsContact C-N 3.34Å
53S49.9Very low46.4Very low85 Ų85116.9 Ų116.959%0.59460%0.597SS**Hα-helixtrans-91.7-14.4177.955.90000114.3S49 L50 N55S49-S53 VanDerWaalsContact O-CB 3.29Å; S49-S53 WeakPolarHBondContact O-CB 3.37Å; S49-S53 PolarHBondContact O-N 3.34Å; S49-S53 VanDerWaalsContact O-N 3.1Å; S49-S53 PolarHBondContact O-OG 2.87Å; L50-S53 WeakPolarHBondContact CA-OG 3.38Å; L50-S53 PolarHBondContact O-N 3.42Å; L50-S53 PolarHBondContact O-OG 3.08Å; S53-N55 PolarHBondContact O-N 2.95Å; S53-N55 VanDerWaalsContact O-N 3.1Å
54L50.7Low46.3Very low53 Ų53110.8 Ų110.828%0.27758%0.58SS.*  trans-76.397.2173.4-79.4164000110L50 L56 Y59L50-L54 WeakPolarHBondContact O-CB 3.4Å; L50-L54 WeakPolarHBondContact O-CD1 3.22Å; L50-L54 VanDerWaalsContact O-CG 3.22Å; L50-L54 WeakPolarHBondContact O-CG 3.33Å; L50-L54 PolarHBondContact O-N 3.09Å; L50-L54 VanDerWaalsContact O-N 3.11Å; L54-L56 VanDerWaalsContact C-N 3.31Å; L54-L56 HydrophobicContact CB-CD1 4.31Å; L54-L56 PolarHBondContact O-N 3.07Å; L54-Y59 HydrophobicContact CD2-CE2 3.9Å
55N51.3Low46.7Very low75 Ų75107 Ų10740%0.40157%0.566SS.*  trans-6993163.5-173.32.4000109.1S53 E57 L58S53-N55 PolarHBondContact O-N 2.95Å; S53-N55 VanDerWaalsContact O-N 3.1Å; N55-E57 PolarHBondContact O-N 2.78Å; N55-E57 VanDerWaalsContact O-N 3.09Å; N55-E57 VanDerWaalsContact OD1-CB 3.31Å; N55-E57 WeakPolarHBondContact OD1-CB 3.08Å; N55-E57 PolarHBondContact OD1-N 2.86Å; N55-L58 HydrophobicContact CB-CD1 3.9Å; N55-L58 HydrophobicContact CB-CG 4.1Å; N55-L58 WeakPolarHBondContact O-CB 3.33Å; N55-L58 PolarHBondContact O-N 3.23Å
56L47.7Very low47.1Very low113 Ų113106.5 Ų106.559%0.59256%0.559SS**G310 helixtrans-54.7-26.2179-101.481.4000112.7L54 L58 Y59 V60L54-L56 VanDerWaalsContact C-N 3.31Å; L54-L56 HydrophobicContact CB-CD1 4.31Å; L54-L56 PolarHBondContact O-N 3.07Å; L56-L58 PolarHBondContact O-N 3.02Å; L56-Y59 PolarHBondContact O-N 3.14Å; L56-Y59 VanDerWaalsContact O-N 3.11Å; L56-V60 PolarHBondContact O-N 3.45Å
57E48.4Very low47.5Very low162 Ų162106.8 Ų106.876%0.75755%0.552SS**G310 helixtrans-61.5-25.4176.8-60.9-176.9161.400112.7N55 Y59N55-E57 PolarHBondContact O-N 2.78Å; N55-E57 VanDerWaalsContact O-N 3.09Å; N55-E57 VanDerWaalsContact OD1-CB 3.31Å; N55-E57 WeakPolarHBondContact OD1-CB 3.08Å; N55-E57 PolarHBondContact OD1-N 2.86Å; E57-Y59 VanDerWaalsContact C-N 3.33Å
58L44.1Very low48.1Very low132 Ų132106.2 Ų106.269%0.69155%0.547SS*.G310 helixtrans-78.8-15.8178.5-63.8173.8000113.4N55 L56N55-L58 HydrophobicContact CB-CD1 3.9Å; N55-L58 HydrophobicContact CB-CG 4.1Å; N55-L58 WeakPolarHBondContact O-CB 3.33Å; N55-L58 PolarHBondContact O-N 3.23Å; L56-L58 PolarHBondContact O-N 3.02Å
59Y47.1Very low49.3Very low151 Ų15199 Ų9959%0.59252%0.521SS*.THydrogen-bonded Turntrans-110.8-0.1-176-64.2-85.2000113.2L54 L56 E57 S61L54-Y59 HydrophobicContact CD2-CE2 3.9Å; L56-Y59 PolarHBondContact O-N 3.14Å; L56-Y59 VanDerWaalsContact O-N 3.11Å; E57-Y59 VanDerWaalsContact C-N 3.33Å; Y59-S61 PolarHBondContact O-N 2.99Å
60V42.4Very low49.8Very low94 Ų9499.5 Ų99.557%0.5753%0.533SS*.  trans-73.596.1163.3-177.60000106.9L56 G62L56-V60 PolarHBondContact O-N 3.45Å; V60-G62 VanDerWaalsContact C-N 3.33Å; V60-G62 PolarHBondContact O-N 3.38Å
61S38.8Very low50.4Low100 Ų100106.5 Ų106.570%0.69956%0.564SS**  trans-66.996.8167.431.50000107.9Y59 E63Y59-S61 PolarHBondContact O-N 2.99Å; S61-E63 PolarHBondContact O-N 3.46Å
62G41.7Very low51.1Low42 Ų42108.3 Ų108.343%0.43358%0.575SS.*THydrogen-bonded Turntrans-61.2-10.7-176.900000114.8V60 G64V60-G62 VanDerWaalsContact C-N 3.33Å; V60-G62 PolarHBondContact O-N 3.38Å; G62-G64 PolarHBondContact O-N 3.27Å
63E40.5Very low52.6Low168 Ų168101.5 Ų101.579%0.78554%0.543SS*.THydrogen-bonded Turntrans-68.7-19.4-177.7-64-170.6153.900113.8S61S61-E63 PolarHBondContact O-N 3.46Å
64G42.5Very low54.1Low41 Ų4198.5 Ų98.542%0.42352%0.521SS..THydrogen-bonded Turntrans-88-39.4-179.800000115G62 E66 F68G62-G64 PolarHBondContact O-N 3.27Å; G64-E66 VanDerWaalsContact C-N 3.32Å; G64-E66 PolarHBondContact O-N 2.8Å; G64-F68 WeakPolarHBondContact O-CD2 3.42Å
65D50.5Low55.9Low106 Ų10696 Ų9657%0.56751%0.507SS*.G310 helixtrans-80.9-10.6-175-79.2-15.8000113.6Y67 R76D65-Y67 PolarHBondContact O-N 3.32Å; D65-Y67 VanDerWaalsContact O-N 3.16Å; D65-R76 PolarHBondContact O-NH1 3.35Å
66E55.1Low57.8Low55 Ų5593.5 Ų93.526%0.25749%0.492SS..G310 helixtrans-61.1-22176.6-81.9-164.1172.300114G64 Y69 W78 R98G64-E66 VanDerWaalsContact C-N 3.32Å; G64-E66 PolarHBondContact O-N 2.8Å; E66-Y69 PolarHBondContact O-OH 3.03Å; E66-Y69 VanDerWaalsContact O-OH 3.09Å; E66-W78 HydrophobicContact CG-CZ2 4.44Å; E66-R98 IonicContact OE2-CZ 3.22Å; E66-R98 IonicContact OE2-NH1 3.66Å; E66-R98 PolarHBondContact OE2-NH1 3.38Å
67Y58.5Low60Low130 Ų13088.1 Ų88.151%0.5146%0.464SS..G310 helixtrans-1140.1-171-60.3-84.2000114.3D65 Y69 R98D65-Y67 PolarHBondContact O-N 3.32Å; D65-Y67 VanDerWaalsContact O-N 3.16Å; Y67-Y69 PolarHBondContact O-N 2.97Å; Y67-R98 PolarHBondContact OH-NH1 3.19Å; Y67-R98 VanDerWaalsContact OH-NH1 3.07Å; Y67-R98 PolarHBondContact OH-NH2 3.09Å
68F60.7Low62.1Low130 Ų13080.7 Ų80.757%0.5743%0.429SS*.  trans-86.4108.7173.3-75.8-82.7000110.3G64G64-F68 WeakPolarHBondContact O-CD2 3.42Å
69Y68.2Low64.5Low61 Ų6174.5 Ų74.524%0.23940%0.396CS..  trans-108.6126.8175.7-52.4-58.3000108.9E66 Y67 H73 R76 N99E66-Y69 PolarHBondContact O-OH 3.03Å; E66-Y69 VanDerWaalsContact O-OH 3.09Å; Y67-Y69 PolarHBondContact O-N 2.97Å; Y69-H73 AromaticContact CD1-CD2 3.94Å; Y69-H73 AromaticContact CD1-CE1 3.17Å; Y69-H73 WeakPolarHBondContact CD1-CE1 3.19Å; Y69-H73 AromaticContact CD1-CG 3.91Å; Y69-H73 AromaticContact CD1-ND1 3.47Å; Y69-H73 WeakPolarHBondContact CD1-ND1 3.15Å; Y69-H73 AromaticContact CD1-NE2 3.51Å; Y69-H73 AromaticContact CE1-CE1 3.63Å; Y69-H73 AromaticContact CG-CE1 3.92Å; Y69-H73 AromaticContact CG-ND1 3.73Å; Y69-R76 HydrophobicContact CE1-CB 4.47Å; Y69-N99 HydrophobicContact CD1-CB 4.23Å; Y69-N99 HydrophobicContact CD2-CB 3.81Å; Y69-N99 VanDerWaalsContact CD2-CG 3.45Å; Y69-N99 WeakPolarHBondContact CD2-ND2 3.22Å; Y69-N99 HydrophobicContact CE1-CB 3.97Å; Y69-N99 HydrophobicContact CE2-CB 3.5Å; Y69-N99 HydrophobicContact CG-CB 4.17Å
70G61.2Low66.7Low58 Ų5870.4 Ų70.460%0.59838%0.383SS*.  trans-66.8166.3175.200000112.5N72 H73G70-N72 PolarHBondContact O-N 2.85Å; G70-H73 WeakPolarHBondContact O-CB 3.42Å; G70-H73 PolarHBondContact O-N 2.96Å
71E59.8Low69.1Low191 Ų19165.9 Ų65.989%0.89336%0.356SS*.THydrogen-bonded Turntrans-55.5134.4169.8-66.7-176.5170.700110
72N65.2Low71.6Confident150 Ų15063.4 Ų63.480%0.80233%0.333SS*.THydrogen-bonded Turntrans70.620.4-175.8-49.9-53.2000116.9G70G70-N72 PolarHBondContact O-N 2.85Å
73H79.4Confident73.9Confident35 Ų3562.5 Ų62.516%0.16232%0.317CS..  trans-61.6134.8171.2-173.3-99.1000112.4Y69 G70 G75 R76 N99 D206Y69-H73 AromaticContact CD1-CD2 3.94Å; Y69-H73 AromaticContact CD1-CE1 3.17Å; Y69-H73 WeakPolarHBondContact CD1-CE1 3.19Å; Y69-H73 AromaticContact CD1-CG 3.91Å; Y69-H73 AromaticContact CD1-ND1 3.47Å; Y69-H73 WeakPolarHBondContact CD1-ND1 3.15Å; Y69-H73 AromaticContact CD1-NE2 3.51Å; Y69-H73 AromaticContact CE1-CE1 3.63Å; Y69-H73 AromaticContact CG-CE1 3.92Å; Y69-H73 AromaticContact CG-ND1 3.73Å; G70-H73 WeakPolarHBondContact O-CB 3.42Å; G70-H73 PolarHBondContact O-N 2.96Å; H73-G75 WeakPolarHBondContact CE1-CA 3.12Å; H73-G75 PolarHBondContact CE1-N 3.28Å; H73-G75 VanDerWaalsContact CE1-N 3.32Å; H73-G75 PolarHBondContact CE1-O 3.44Å; H73-G75 PolarHBondContact ND1-N 3.03Å; H73-G75 VanDerWaalsContact ND1-N 3.15Å; H73-G75 PolarHBondContact NE2-O 3.2Å; H73-R76 PolarHBondContact CE1-N 2.84Å; H73-N99 PolarHBondContact ND1-ND2 3.16Å; H73-D206 IonicContact CD2-OD1 3.13Å; H73-D206 IonicContact CD2-OD2 2.79Å; H73-D206 IonicContact CE1-OD1 3.74Å; H73-D206 VanDerWaalsContact NE2-CG 3.25Å; H73-D206 IonicContact NE2-OD1 3.94Å; H73-D206 PolarHBondContact NE2-OD1 3.39Å; H73-D206 IonicContact NE2-OD2 3.75Å
74I82Confident76.3Confident22 Ų2256.9 Ų56.911%0.11329%0.292CS..  trans-106.61.2-174.7-59.7141.2000111.7P101 V183 F207 K209I74-P101 HydrophobicContact CG2-CG 4.46Å; I74-P101 WeakPolarHBondContact O-CD 3.38Å; I74-V183 HydrophobicContact CG2-CG1 3.9Å; I74-V183 WeakPolarHBondContact CG2-O 3.2Å; I74-F207 HydrophobicContact CB-CB 4.21Å; I74-F207 HydrophobicContact CG2-CB 4.1Å; I74-K209 HydrophobicContact CD1-CB 4.24Å; I74-K209 HydrophobicContact CD1-CD 4.12Å; I74-K209 HydrophobicContact CD1-CG 3.61Å; I74-K209 HydrophobicContact CG1-CG 4.3Å
75G88.5Confident78.4Confident0 Ų057.3 Ų57.30%029%0.292CS..  trans120.5158.9-175.600000112.2H73 R98 N99 D206 F207H73-G75 WeakPolarHBondContact CE1-CA 3.12Å; H73-G75 PolarHBondContact CE1-N 3.28Å; H73-G75 VanDerWaalsContact CE1-N 3.32Å; H73-G75 PolarHBondContact CE1-O 3.44Å; H73-G75 PolarHBondContact ND1-N 3.03Å; H73-G75 VanDerWaalsContact ND1-N 3.15Å; H73-G75 PolarHBondContact NE2-O 3.2Å; G75-R98 CarbonylContact C-O 3.58Å; G75-R98 WeakPolarHBondContact CA-O 3.33Å; G75-N99 VanDerWaalsContact CA-O 3.24Å; G75-N99 WeakPolarHBondContact CA-O 3.43Å; G75-N99 PolarHBondContact N-O 3.43Å; G75-D206 WeakPolarHBondContact O-CA 3.25Å; G75-F207 WeakPolarHBondContact O-CD2 3.32Å; G75-F207 PolarHBondContact O-N 3.11Å
76R90.9Very high80.3Confident22 Ų2261.1 Ų61.18%0.08331%0.307CS..EExtended strand (participates in β ladder)trans-125134.5178.6-177.5170.9-69.2165.63109.2D65 Y69 H73 W78 V97 R98 R205 D206D65-R76 PolarHBondContact O-NH1 3.35Å; Y69-R76 HydrophobicContact CE1-CB 4.47Å; H73-R76 PolarHBondContact CE1-N 2.84Å; R76-W78 HydrophobicContact CB-CH2 3.82Å; R76-W78 HydrophobicContact CB-CZ3 3.79Å; R76-W78 VanDerWaalsContact CD-CZ2 3.49Å; R76-W78 HydrophobicContact CG-CD2 4.47Å; R76-W78 HydrophobicContact CG-CE3 4.17Å; R76-W78 HydrophobicContact CG-CH2 3.6Å; R76-W78 HydrophobicContact CG-CZ2 3.94Å; R76-W78 HydrophobicContact CG-CZ3 3.73Å; R76-W78 WeakPolarHBondContact O-CZ3 3.48Å; R76-V97 CarbonylContact O-C 3.44Å; R76-V97 WeakPolarHBondContact O-CA 3.22Å; R76-V97 WeakPolarHBondContact O-CG1 3.22Å; R76-R98 PolarHBondContact N-O 2.93Å; R76-R98 PolarHBondContact O-N 2.91Å; R76-R205 WeakPolarHBondContact CA-O 3.46Å; R76-D206 WeakPolarHBondContact CB-OD1 3.31Å; R76-D206 WeakPolarHBondContact CG-OD1 3.33Å; R76-D206 IonicContact CZ-OD1 3.89Å; R76-D206 IonicContact CZ-OD2 3.16Å; R76-D206 IonicContact NE-OD1 2.89Å; R76-D206 PolarHBondContact NE-OD1 3.5Å; R76-D206 IonicContact NE-OD2 2.71Å; R76-D206 IonicContact NH2-OD1 3.44Å; R76-D206 PolarHBondContact NH2-OD1 2.99Å; R76-D206 IonicContact NH2-OD2 3.75Å; R76-D206 PolarHBondContact NH2-OD2 3.4Å; R76-D206 VanDerWaalsContact NH2-OD2 3.13Å
77I93.7Very high82.1Confident0 Ų067 Ų670%033%0.326CS..EExtended strand (participates in β ladder)trans-108.4144.1174.6-174.3168.7000110.4F79 V94 V97 L123 I169 V186 W204 R205 F207I77-F79 HydrophobicContact CD1-CD1 4.49Å; I77-F79 HydrophobicContact CG1-CD1 4.22Å; I77-F79 HydrophobicContact CG2-CD1 4.12Å; I77-F79 HydrophobicContact CG2-CE1 4.26Å; I77-V94 HydrophobicContact CD1-CG1 4.34Å; I77-V97 HydrophobicContact CB-CG2 3.94Å; I77-V97 HydrophobicContact CD1-CG2 4.17Å; I77-V97 HydrophobicContact CG1-CG2 3.81Å; I77-L123 HydrophobicContact CD1-CD1 3.68Å; I77-I169 HydrophobicContact CD1-CB 4.34Å; I77-I169 HydrophobicContact CD1-CD1 3.88Å; I77-I169 HydrophobicContact CD1-CG2 3.62Å; I77-V186 HydrophobicContact CG2-CB 4.43Å; I77-V186 HydrophobicContact CG2-CG2 3.77Å; I77-W204 WeakPolarHBondContact O-CA 3.21Å; I77-R205 HydrophobicContact CG2-CB 4.37Å; I77-R205 WeakPolarHBondContact CG2-O 3.48Å; I77-R205 PolarHBondContact N-O 3.11Å; I77-R205 PolarHBondContact O-N 3.01Å; I77-F207 HydrophobicContact CB-CE2 3.81Å; I77-F207 HydrophobicContact CB-CZ 3.83Å; I77-F207 HydrophobicContact CD1-CZ 4.13Å; I77-F207 HydrophobicContact CG2-CE2 4.25Å; I77-F207 HydrophobicContact CG2-CZ 4.12Å
78W94Very high83.7Confident7 Ų765.1 Ų65.13%0.02732%0.322CS..EExtended strand (participates in β ladder)trans-115129.2166.6-67.4-107.7000108.3E66 R76 D95 K96 R98 V203 W204E66-W78 HydrophobicContact CG-CZ2 4.44Å; R76-W78 HydrophobicContact CB-CH2 3.82Å; R76-W78 HydrophobicContact CB-CZ3 3.79Å; R76-W78 VanDerWaalsContact CD-CZ2 3.49Å; R76-W78 HydrophobicContact CG-CD2 4.47Å; R76-W78 HydrophobicContact CG-CE3 4.17Å; R76-W78 HydrophobicContact CG-CH2 3.6Å; R76-W78 HydrophobicContact CG-CZ2 3.94Å; R76-W78 HydrophobicContact CG-CZ3 3.73Å; R76-W78 WeakPolarHBondContact O-CZ3 3.48Å; W78-D95 HydrophobicContact CB-CB 4.48Å; W78-D95 PolarHBondContact O-N 2.87Å; W78-D95 VanDerWaalsContact O-N 3.17Å; W78-K96 HydrophobicContact CB-CG 4.15Å; W78-K96 HydrophobicContact CD2-CG 4.06Å; W78-K96 HydrophobicContact CE3-CD 4.45Å; W78-K96 HydrophobicContact CE3-CG 3.69Å; W78-K96 HydrophobicContact CG-CG 4.27Å; W78-K96 HydrophobicContact CZ3-CG 4.42Å; W78-K96 PolarHBondContact N-O 2.87Å; W78-R98 HydrophobicContact CH2-CB 3.91Å; W78-R98 HydrophobicContact CH2-CG 3.98Å; W78-R98 HydrophobicContact CZ3-CB 3.66Å; W78-R98 HydrophobicContact CZ3-CG 3.69Å; W78-V203 WeakPolarHBondContact CA-O 3.39Å; W78-W204 HydrophobicContact CD2-CB 4.49Å; W78-W204 HydrophobicContact CG-CB 4.2Å
79F94.2Very high85.1Confident1 Ų163.4 Ų63.40%0.00431%0.314CS..EExtended strand (participates in β ladder)trans-149153.5177.863.9-79.3000110I77 I81 I92 W93 L167 I169 Y188 V203 R205I77-F79 HydrophobicContact CD1-CD1 4.49Å; I77-F79 HydrophobicContact CG1-CD1 4.22Å; I77-F79 HydrophobicContact CG2-CD1 4.12Å; I77-F79 HydrophobicContact CG2-CE1 4.26Å; F79-I81 HydrophobicContact CD2-CD1 4.38Å; F79-I81 HydrophobicContact CD2-CG1 3.92Å; F79-I81 HydrophobicContact CE2-CD1 3.75Å; F79-I81 HydrophobicContact CE2-CG1 3.81Å; F79-I92 HydrophobicContact CD2-CG2 4.36Å; F79-W93 CarbonylContact C-O 3.2Å; F79-W93 WeakPolarHBondContact CA-O 3.37Å; F79-W93 WeakPolarHBondContact CB-O 3.2Å; F79-L167 HydrophobicContact CD2-CD2 4.1Å; F79-L167 HydrophobicContact CE2-CD2 3.65Å; F79-L167 HydrophobicContact CZ-CD2 4.43Å; F79-I169 HydrophobicContact CB-CD1 4.45Å; F79-I169 HydrophobicContact CD1-CD1 3.98Å; F79-I169 HydrophobicContact CD2-CD1 4.1Å; F79-I169 HydrophobicContact CE1-CD1 4.22Å; F79-I169 HydrophobicContact CE2-CD1 4.29Å; F79-I169 HydrophobicContact CG-CD1 3.92Å; F79-I169 HydrophobicContact CZ-CD1 4.37Å; F79-Y188 HydrophobicContact CE2-CG 4.44Å; F79-Y188 HydrophobicContact CZ-CD2 4.26Å; F79-Y188 HydrophobicContact CZ-CG 4.16Å; F79-V203 HydrophobicContact CD1-CB 4.48Å; F79-V203 HydrophobicContact CD2-CB 4.48Å; F79-V203 HydrophobicContact CE1-CB 4.05Å; F79-V203 HydrophobicContact CE1-CG1 3.83Å; F79-V203 HydrophobicContact CE2-CB 4.09Å; F79-V203 HydrophobicContact CE2-CG1 4.31Å; F79-V203 HydrophobicContact CZ-CB 3.84Å; F79-V203 HydrophobicContact CZ-CG1 3.61Å; F79-V203 PolarHBondContact N-O 3.46Å; F79-V203 PolarHBondContact O-N 2.95Å; F79-R205 HydrophobicContact CE1-CG 4.33Å
80E93.3Very high86.2Confident65 Ų6560.5 Ų60.530%0.30430%0.303SS..EExtended strand (participates in β ladder)trans-113.3146.6176-48.2175.2-171.700110I92 W93 L201 E202E80-I92 CarbonylContact O-C 3.59Å; E80-I92 WeakPolarHBondContact O-CA 3.17Å; E80-W93 HydrophobicContact CB-CB 4.07Å; E80-W93 HydrophobicContact CB-CE3 4.13Å; E80-W93 HydrophobicContact CG-CB 4.5Å; E80-W93 PolarHBondContact N-O 3.36Å; E80-W93 PolarHBondContact O-N 3.28Å; E80-L201 CarbonylContact C-O 3.55Å; E80-L201 VanDerWaalsContact CA-O 3.22Å; E80-L201 WeakPolarHBondContact CA-O 3.41Å; E80-E202 HydrophobicContact CG-CB 4.28Å; E80-E202 HydrophobicContact CG-CG 4.27Å
81I91.8Very high87.8Confident0 Ų058.8 Ų58.80%028%0.282CS..EExtended strand (participates in β ladder)trans-119.7131.3177.7-50.7177.4000108F79 L90 I92 Y188 Y193 L201 V203F79-I81 HydrophobicContact CD2-CD1 4.38Å; F79-I81 HydrophobicContact CD2-CG1 3.92Å; F79-I81 HydrophobicContact CE2-CD1 3.75Å; F79-I81 HydrophobicContact CE2-CG1 3.81Å; I81-L90 HydrophobicContact CG2-CD1 3.59Å; I81-I92 HydrophobicContact CB-CD1 4.31Å; I81-I92 HydrophobicContact CG1-CD1 3.99Å; I81-I92 HydrophobicContact CG2-CD1 3.92Å; I81-Y188 HydrophobicContact CD1-CD1 3.41Å; I81-Y188 VanDerWaalsContact CD1-CD1 3.41Å; I81-Y188 HydrophobicContact CD1-CE1 3.22Å; I81-Y188 HydrophobicContact CD1-CG 4.25Å; I81-Y193 HydrophobicContact CB-CD2 3.98Å; I81-Y193 HydrophobicContact CB-CE2 3.76Å; I81-Y193 HydrophobicContact CD1-CD2 4.4Å; I81-Y193 HydrophobicContact CG2-CD2 3.85Å; I81-Y193 HydrophobicContact CG2-CE2 3.72Å; I81-Y193 WeakPolarHBondContact O-CE2 3.44Å; I81-Y193 PolarHBondContact O-OH 2.68Å; I81-L201 PolarHBondContact N-O 3.47Å; I81-L201 PolarHBondContact O-N 2.98Å; I81-V203 HydrophobicContact CD1-CG2 4.36Å
82E91.8Very high89.4Confident47 Ų4749.7 Ų49.722%0.2224%0.239CC..EExtended strand (participates in β ladder)trans-130.7132.1169.6176.4177.7-162.800108.7S91 W93 H200E82-S91 PolarHBondContact N-O 3.46Å; E82-S91 PolarHBondContact O-N 3.08Å; E82-W93 HydrophobicContact CB-CZ3 4.46Å; E82-W93 WeakPolarHBondContact OE2-CH2 3.44Å; E82-H200 VanDerWaalsContact CD-CD2 3.4Å; E82-H200 IonicContact OE1-CD2 3.37Å; E82-H200 IonicContact OE1-NE2 3.56Å; E82-H200 PolarHBondContact OE1-NE2 3.34Å; E82-H200 IonicContact OE2-CD2 3.55Å; E82-H200 PolarHBondContact OE2-CD2 3.47Å; E82-H200 IonicContact OE2-NE2 2.86Å
83F90.4Very high90.9Very high24 Ų2446.7 Ų46.711%0.10522%0.217CC..EExtended strand (participates in β ladder)trans-120.5118.6176.7-177.3-118.2000110.6A85 K89 L90 L157 P159 F162 Y193F83-A85 HydrophobicContact CD1-CB 4.35Å; F83-A85 HydrophobicContact CE1-CB 3.81Å; F83-A85 HydrophobicContact CZ-CB 4.42Å; F83-K89 WeakPolarHBondContact CD2-O 3.4Å; F83-L90 HydrophobicContact CB-CD1 4.1Å; F83-L90 HydrophobicContact CD2-CB 4.15Å; F83-L90 HydrophobicContact CD2-CD1 4.12Å; F83-L157 HydrophobicContact CE2-CB 4.15Å; F83-L157 HydrophobicContact CE2-CD2 4.25Å; F83-L157 HydrophobicContact CE2-CG 4.11Å; F83-L157 VanDerWaalsContact CE2-O 3.3Å; F83-L157 WeakPolarHBondContact CE2-O 3.37Å; F83-P159 HydrophobicContact CE1-CB 4.26Å; F83-P159 HydrophobicContact CE1-CG 4.21Å; F83-P159 HydrophobicContact CZ-CB 4.26Å; F83-P159 HydrophobicContact CZ-CG 3.96Å; F83-F162 HydrophobicContact CB-CE2 3.76Å; F83-F162 HydrophobicContact CB-CZ 4.4Å; F83-F162 AromaticContact CD1-CD2 3.68Å; F83-F162 HydrophobicContact CD1-CD2 3.68Å; F83-F162 AromaticContact CD1-CE2 3.69Å; F83-F162 HydrophobicContact CD1-CE2 3.69Å; F83-F162 AromaticContact CD2-CD2 3.88Å; F83-F162 HydrophobicContact CD2-CD2 3.88Å; F83-F162 AromaticContact CD2-CE2 3.8Å; F83-F162 HydrophobicContact CD2-CE2 3.8Å; F83-F162 AromaticContact CE1-CD2 3.73Å; F83-F162 HydrophobicContact CE1-CD2 3.73Å; F83-F162 HydrophobicContact CE1-CE2 4.23Å; F83-F162 HydrophobicContact CE1-CG 4.39Å; F83-F162 AromaticContact CE2-CD2 3.94Å; F83-F162 HydrophobicContact CE2-CD2 3.94Å; F83-F162 HydrophobicContact CE2-CE2 4.34Å; F83-F162 AromaticContact CG-CD2 3.76Å; F83-F162 HydrophobicContact CG-CD2 3.76Å; F83-F162 AromaticContact CG-CE2 3.45Å; F83-F162 HydrophobicContact CG-CE2 3.45Å; F83-F162 VanDerWaalsContact CG-CE2 3.45Å; F83-F162 HydrophobicContact CG-CZ 4.42Å; F83-F162 AromaticContact CZ-CD2 3.87Å; F83-F162 HydrophobicContact CZ-CD2 3.87Å; F83-Y193 HydrophobicContact CB-CE1 4.19Å
84D90.3Very high91.6Very high49 Ų4945.1 Ų45.126%0.26221%0.21SC..EExtended strand (participates in β ladder)trans-100.399.6172.8-174.6-21.1000108.8E86 R87 E88 K89D84-E86 VanDerWaalsContact C-N 3.29Å; D84-E86 PolarHBondContact O-N 3.08Å; D84-E86 PolarHBondContact OD1-N 2.9Å; D84-R87 HydrophobicContact CB-CB 4.29Å; D84-R87 PolarHBondContact O-N 2.8Å; D84-R87 PolarHBondContact OD1-N 2.9Å; D84-R87 VanDerWaalsContact OD1-N 3.07Å; D84-R87 WeakPolarHBondContact OD2-CD 3.3Å; D84-R87 VanDerWaalsContact OD2-CG 3.25Å; D84-R87 WeakPolarHBondContact OD2-CG 3.21Å; D84-R87 IonicContact OD2-NE 3.89Å; D84-E88 WeakPolarHBondContact O-CA 3.43Å; D84-E88 PolarHBondContact O-N 3.17Å; D84-K89 PolarHBondContact N-O 2.9Å; D84-K89 PolarHBondContact O-N 3.37Å
85A87.9Confident92.2Very high51 Ų5145.6 Ų45.642%0.42121%0.212SC..THydrogen-bonded Turntrans-67.4-27.2-178.800000113.1F83 P159F83-A85 HydrophobicContact CD1-CB 4.35Å; F83-A85 HydrophobicContact CE1-CB 3.81Å; F83-A85 HydrophobicContact CZ-CB 4.42Å; A85-P159 HydrophobicContact CB-CG 3.91Å
86E90.3Very high92.5Very high186 Ų18647.7 Ų47.787%0.86922%0.222SC*.THydrogen-bonded Turntrans-74.4-35.7179.1-64.2-179.5-179.800111.1D84D84-E86 VanDerWaalsContact C-N 3.29Å; D84-E86 PolarHBondContact O-N 3.08Å; D84-E86 PolarHBondContact OD1-N 2.9Å
87R91.9Very high92.6Very high178 Ų17846.6 Ų46.667%0.67222%0.218SC*.THydrogen-bonded Turntrans-93.6-2.4178.9-60.9-174.3-178.1176.7-3.8114D84 K89D84-R87 HydrophobicContact CB-CB 4.29Å; D84-R87 PolarHBondContact O-N 2.8Å; D84-R87 PolarHBondContact OD1-N 2.9Å; D84-R87 VanDerWaalsContact OD1-N 3.07Å; D84-R87 WeakPolarHBondContact OD2-CD 3.3Å; D84-R87 VanDerWaalsContact OD2-CG 3.25Å; D84-R87 WeakPolarHBondContact OD2-CG 3.21Å; D84-R87 IonicContact OD2-NE 3.89Å; R87-K89 VanDerWaalsContact C-N 3.26Å; R87-K89 HydrophobicContact CB-CB 4.33Å; R87-K89 HydrophobicContact CB-CD 4.1Å; R87-K89 HydrophobicContact CB-CG 4.25Å; R87-K89 WeakPolarHBondContact O-CG 3.2Å; R87-K89 PolarHBondContact O-N 3.43Å
88E91.5Very high92.5Very high91 Ų9149 Ų4943%0.42523%0.227SC..THydrogen-bonded Turntrans50.844.9-172-56.7-161.7126.200112.4D84 E156 L157 S158 P159D84-E88 WeakPolarHBondContact O-CA 3.43Å; D84-E88 PolarHBondContact O-N 3.17Å; E88-E156 CarbonylContact O-C 3.38Å; E88-E156 WeakPolarHBondContact O-CA 3.19Å; E88-L157 CarbonylContact C-O 3.52Å; E88-L157 WeakPolarHBondContact CA-O 3.32Å; E88-L157 PolarHBondContact O-N 2.79Å; E88-S158 WeakPolarHBondContact OE1-CA 3.46Å; E88-S158 VanDerWaalsContact OE1-CB 3.24Å; E88-S158 WeakPolarHBondContact OE1-CB 3.21Å; E88-S158 PolarHBondContact OE1-OG 2.87Å; E88-P159 WeakPolarHBondContact OE1-CD 3.03Å
89K91.8Very high92.1Very high93 Ų9351.6 Ų51.640%0.40424%0.241SC..EExtended strand (participates in β ladder)trans-122.9125.3-174.2-79.5176.8-177-170.60112.1F83 D84 R87 T154 F155F83-K89 WeakPolarHBondContact CD2-O 3.4Å; D84-K89 PolarHBondContact N-O 2.9Å; D84-K89 PolarHBondContact O-N 3.37Å; R87-K89 VanDerWaalsContact C-N 3.26Å; R87-K89 HydrophobicContact CB-CB 4.33Å; R87-K89 HydrophobicContact CB-CD 4.1Å; R87-K89 HydrophobicContact CB-CG 4.25Å; R87-K89 WeakPolarHBondContact O-CG 3.2Å; R87-K89 PolarHBondContact O-N 3.43Å; K89-T154 HydrophobicContact CB-CG2 3.86Å; K89-T154 HydrophobicContact CD-CG2 3.94Å; K89-T154 HydrophobicContact CG-CG2 3.78Å; K89-F155 WeakPolarHBondContact CA-O 3.41Å
90L91Very high91.9Very high0 Ų051.6 Ų51.60%024%0.241CC..EExtended strand (participates in β ladder)trans-102.8111.8169.6-178.171000109.3I81 F83 I92 L127 T154 F155 L157 F162 L190I81-L90 HydrophobicContact CG2-CD1 3.59Å; F83-L90 HydrophobicContact CB-CD1 4.1Å; F83-L90 HydrophobicContact CD2-CB 4.15Å; F83-L90 HydrophobicContact CD2-CD1 4.12Å; L90-I92 HydrophobicContact CD1-CD1 4.31Å; L90-I92 HydrophobicContact CD2-CD1 4.09Å; L90-I92 HydrophobicContact CG-CD1 3.92Å; L90-I92 HydrophobicContact CG-CG1 4.43Å; L90-L127 HydrophobicContact CD2-CD1 3.89Å; L90-L127 HydrophobicContact CD2-CD2 4.31Å; L90-T154 CarbonylContact O-C 3.5Å; L90-T154 WeakPolarHBondContact O-CA 3.29Å; L90-F155 HydrophobicContact CB-CB 4.45Å; L90-F155 PolarHBondContact N-O 3.4Å; L90-F155 PolarHBondContact O-N 2.86Å; L90-L157 HydrophobicContact CB-CB 4.27Å; L90-L157 HydrophobicContact CB-CD2 4.3Å; L90-L157 HydrophobicContact CD2-CD2 4.04Å; L90-F162 HydrophobicContact CD1-CE2 4.15Å; L90-L190 HydrophobicContact CD1-CD1 4.48Å; L90-L190 HydrophobicContact CD2-CD1 3.7Å; L90-L190 HydrophobicContact CD2-CD2 4.39Å
91S93.6Very high91.3Very high22 Ų2250.8 Ų50.815%0.15424%0.241CC..EExtended strand (participates in β ladder)trans-97.8128.9175.7-65.90000110.4E82 F153E82-S91 PolarHBondContact N-O 3.46Å; E82-S91 PolarHBondContact O-N 3.08Å; S91-F153 CarbonylContact C-O 3.51Å; S91-F153 WeakPolarHBondContact CA-O 3.49Å
92I94.1Very high90.3Very high0 Ų054.3 Ų54.30%027%0.265CS..EExtended strand (participates in β ladder)trans-118109.7178.2-52.1-61.3000108F79 E80 I81 L90 V94 V125 V152 F153 F155 L167F79-I92 HydrophobicContact CD2-CG2 4.36Å; E80-I92 CarbonylContact O-C 3.59Å; E80-I92 WeakPolarHBondContact O-CA 3.17Å; I81-I92 HydrophobicContact CB-CD1 4.31Å; I81-I92 HydrophobicContact CG1-CD1 3.99Å; I81-I92 HydrophobicContact CG2-CD1 3.92Å; L90-I92 HydrophobicContact CD1-CD1 4.31Å; L90-I92 HydrophobicContact CD2-CD1 4.09Å; L90-I92 HydrophobicContact CG-CD1 3.92Å; L90-I92 HydrophobicContact CG-CG1 4.43Å; I92-V94 HydrophobicContact CG2-CG2 4.16Å; I92-V125 HydrophobicContact CG2-CG1 4.35Å; I92-V152 WeakPolarHBondContact O-CA 3.31Å; I92-F153 PolarHBondContact N-O 2.71Å; I92-F153 PolarHBondContact O-N 3.23Å; I92-F155 HydrophobicContact CG1-CD2 4.22Å; I92-F155 HydrophobicContact CG1-CE2 4.17Å; I92-L167 HydrophobicContact CD1-CD1 3.97Å; I92-L167 HydrophobicContact CD1-CD2 3.82Å; I92-L167 HydrophobicContact CG1-CD1 3.89Å; I92-L167 HydrophobicContact CG1-CD2 4.32Å; I92-L167 HydrophobicContact CG2-CD2 4.15Å
93W95.9Very high89Confident88 Ų8855 Ų5533%0.33327%0.266SS..EExtended strand (participates in β ladder)trans-88.8116.7170.6-82.6-63.4000109.8F79 E80 E82 V152 H200F79-W93 CarbonylContact C-O 3.2Å; F79-W93 WeakPolarHBondContact CA-O 3.37Å; F79-W93 WeakPolarHBondContact CB-O 3.2Å; E80-W93 HydrophobicContact CB-CB 4.07Å; E80-W93 HydrophobicContact CB-CE3 4.13Å; E80-W93 HydrophobicContact CG-CB 4.5Å; E80-W93 PolarHBondContact N-O 3.36Å; E80-W93 PolarHBondContact O-N 3.28Å; E82-W93 HydrophobicContact CB-CZ3 4.46Å; E82-W93 WeakPolarHBondContact OE2-CH2 3.44Å; W93-V152 HydrophobicContact CD2-CG2 4.25Å; W93-V152 HydrophobicContact CG-CB 4.29Å; W93-V152 HydrophobicContact CG-CG2 4.01Å; W93-H200 AromaticContact CZ3-CD2 3.73Å
94V95.7Very high87Confident1 Ų158.1 Ų58.11%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-96.3100.8175.7-179.40000108.1I77 I92 L123 V125 T138 F149 D150 E151 F153I77-V94 HydrophobicContact CD1-CG1 4.34Å; I92-V94 HydrophobicContact CG2-CG2 4.16Å; V94-L123 HydrophobicContact CG1-CD1 3.47Å; V94-L123 VanDerWaalsContact CG1-CD1 3.47Å; V94-V125 HydrophobicContact CG2-CG2 4.02Å; V94-T138 HydrophobicContact CG1-CG2 4.3Å; V94-F149 HydrophobicContact CG1-CB 4.09Å; V94-F149 HydrophobicContact CG1-CD2 4.1Å; V94-F149 HydrophobicContact CG1-CG 4.32Å; V94-D150 WeakPolarHBondContact O-CA 3.45Å; V94-D150 PolarHBondContact O-N 3.38Å; V94-E151 PolarHBondContact N-O 2.93Å; V94-E151 PolarHBondContact O-N 2.81Å; V94-F153 HydrophobicContact CB-CE2 4.45Å; V94-F153 HydrophobicContact CG2-CD2 3.97Å; V94-F153 HydrophobicContact CG2-CE2 3.88Å
95D94.5Very high84.5Confident32 Ų3263.3 Ų63.317%0.17131%0.313CS..EExtended strand (participates in β ladder)trans-77.9-77.8-176.417230000110.9W78 K148 F149 D150W78-D95 HydrophobicContact CB-CB 4.48Å; W78-D95 PolarHBondContact O-N 2.87Å; W78-D95 VanDerWaalsContact O-N 3.17Å; D95-K148 WeakPolarHBondContact OD1-CE 3.21Å; D95-F149 PolarHBondContact O-N 2.84Å; D95-D150 PolarHBondContact O-N 2.91Å; D95-D150 VanDerWaalsContact O-N 3.09Å
96K93.9Very high82.3Confident44 Ų4465.1 Ų65.119%0.19133%0.328CS..EExtended strand (participates in β ladder)trans-143.5157.2-170.470.4-163.3172.6-158.40111.7W78 K148W78-K96 HydrophobicContact CB-CG 4.15Å; W78-K96 HydrophobicContact CD2-CG 4.06Å; W78-K96 HydrophobicContact CE3-CD 4.45Å; W78-K96 HydrophobicContact CE3-CG 3.69Å; W78-K96 HydrophobicContact CG-CG 4.27Å; W78-K96 HydrophobicContact CZ3-CG 4.42Å; W78-K96 PolarHBondContact N-O 2.87Å; K96-K148 HydrophobicContact CB-CG 4.37Å
97V93.8Very high80.2Confident0 Ų058.5 Ų58.50%030%0.302CS..EExtended strand (participates in β ladder)trans-123.4144.1166.3175.20000108.3R76 I77 L100 L123 N146 P147 F149 F207R76-V97 CarbonylContact O-C 3.44Å; R76-V97 WeakPolarHBondContact O-CA 3.22Å; R76-V97 WeakPolarHBondContact O-CG1 3.22Å; I77-V97 HydrophobicContact CB-CG2 3.94Å; I77-V97 HydrophobicContact CD1-CG2 4.17Å; I77-V97 HydrophobicContact CG1-CG2 3.81Å; V97-L100 HydrophobicContact CB-CD1 4.47Å; V97-L100 HydrophobicContact CG1-CD1 3.74Å; V97-L100 HydrophobicContact CG1-CD2 3.75Å; V97-L100 HydrophobicContact CG1-CG 3.53Å; V97-L123 HydrophobicContact CG2-CD1 3.85Å; V97-L123 HydrophobicContact CG2-CD2 4.39Å; V97-N146 CarbonylContact O-C 3.51Å; V97-N146 WeakPolarHBondContact O-CA 3.43Å; V97-P147 HydrophobicContact CB-CG 4.01Å; V97-P147 PolarHBondContact N-O 3.32Å; V97-P147 WeakPolarHBondContact O-CD 3.47Å; V97-F149 HydrophobicContact CB-CE2 4.38Å; V97-F149 HydrophobicContact CG2-CD2 4.41Å; V97-F149 HydrophobicContact CG2-CE2 3.91Å; V97-F207 HydrophobicContact CG1-CE2 3.72Å; V97-F207 HydrophobicContact CG2-CE2 4.06Å; V97-F207 HydrophobicContact CG2-CZ 4.26Å
98R90.6Very high77.8Confident51 Ų5156.1 Ų56.119%0.19231%0.31CS..EExtended strand (participates in β ladder)trans-128.2157.4174-67.8-173.5169.3161.4-1.9111.9E66 Y67 G75 R76 W78 L100 N146E66-R98 IonicContact OE2-CZ 3.22Å; E66-R98 IonicContact OE2-NH1 3.66Å; E66-R98 PolarHBondContact OE2-NH1 3.38Å; Y67-R98 PolarHBondContact OH-NH1 3.19Å; Y67-R98 VanDerWaalsContact OH-NH1 3.07Å; Y67-R98 PolarHBondContact OH-NH2 3.09Å; G75-R98 CarbonylContact C-O 3.58Å; G75-R98 WeakPolarHBondContact CA-O 3.33Å; R76-R98 PolarHBondContact N-O 2.93Å; R76-R98 PolarHBondContact O-N 2.91Å; W78-R98 HydrophobicContact CH2-CB 3.91Å; W78-R98 HydrophobicContact CH2-CG 3.98Å; W78-R98 HydrophobicContact CZ3-CB 3.66Å; W78-R98 HydrophobicContact CZ3-CG 3.69Å; R98-L100 VanDerWaalsContact C-N 3.32Å; R98-L100 PolarHBondContact O-N 3.46Å; R98-N146 WeakPolarHBondContact CA-OD1 3.46Å; R98-N146 WeakPolarHBondContact CB-OD1 3.23Å; R98-N146 HydrophobicContact CG-CB 4.39Å
99N87Confident75.7Confident60 Ų6052.7 Ų52.732%0.32130%0.296SS..  trans56.939.1173.2-161.546.6000114.1Y69 H73 G75 L145 N146Y69-N99 HydrophobicContact CD1-CB 4.23Å; Y69-N99 HydrophobicContact CD2-CB 3.81Å; Y69-N99 VanDerWaalsContact CD2-CG 3.45Å; Y69-N99 WeakPolarHBondContact CD2-ND2 3.22Å; Y69-N99 HydrophobicContact CE1-CB 3.97Å; Y69-N99 HydrophobicContact CE2-CB 3.5Å; Y69-N99 HydrophobicContact CG-CB 4.17Å; H73-N99 PolarHBondContact ND1-ND2 3.16Å; G75-N99 VanDerWaalsContact CA-O 3.24Å; G75-N99 WeakPolarHBondContact CA-O 3.43Å; G75-N99 PolarHBondContact N-O 3.43Å; N99-L145 PolarHBondContact N-O 3.42Å; N99-N146 PolarHBondContact N-OD1 3.15Å
100L88.5Confident73.5Confident2 Ų251.1 Ų51.11%0.0130%0.296CS..PPolyproline II helixtrans-64.9144.7169.9-71.7168.2000109.9V97 R98 C102 F121 L145 P147 A171 V183 F207V97-L100 HydrophobicContact CB-CD1 4.47Å; V97-L100 HydrophobicContact CG1-CD1 3.74Å; V97-L100 HydrophobicContact CG1-CD2 3.75Å; V97-L100 HydrophobicContact CG1-CG 3.53Å; R98-L100 VanDerWaalsContact C-N 3.32Å; R98-L100 PolarHBondContact O-N 3.46Å; L100-C102 PolarHBondContact O-N 3.27Å; L100-F121 HydrophobicContact CB-CE1 4.19Å; L100-F121 HydrophobicContact CB-CE2 4.39Å; L100-F121 HydrophobicContact CB-CZ 4.02Å; L100-F121 HydrophobicContact CD1-CB 4.08Å; L100-F121 HydrophobicContact CD1-CD1 3.75Å; L100-F121 HydrophobicContact CD1-CD2 3.92Å; L100-F121 HydrophobicContact CD1-CE1 4.07Å; L100-F121 HydrophobicContact CD1-CE2 4.24Å; L100-F121 HydrophobicContact CD1-CG 3.65Å; L100-F121 HydrophobicContact CD1-CZ 4.3Å; L100-L145 WeakPolarHBondContact CB-O 3.33Å; L100-L145 PolarHBondContact N-O 3.33Å; L100-L145 VanDerWaalsContact N-O 3.08Å; L100-P147 HydrophobicContact CD1-CG 3.75Å; L100-A171 HydrophobicContact CD2-CB 4.36Å; L100-V183 HydrophobicContact CD2-CG1 4.2Å; L100-F207 HydrophobicContact CD2-CD2 4.4Å; L100-F207 HydrophobicContact CD2-CE2 4.38Å
101P80.7Confident71.7Confident47 Ų4754.7 Ų54.731%0.30533%0.326SS..PPolyproline II helixtrans-66.8125.5-178.826-35.3000110.7I74 V183I74-P101 HydrophobicContact CG2-CG 4.46Å; I74-P101 WeakPolarHBondContact O-CD 3.38Å; P101-V183 HydrophobicContact CG-CG1 3.55Å
102C70.7Confident69.7Low74 Ų7456.3 Ų56.350%0.534%0.34SS..PPolyproline II helixtrans-63.2146152.3-163.80000107.7L100 S104 L145L100-C102 PolarHBondContact O-N 3.27Å; C102-S104 PolarHBondContact O-N 3.07Å; C102-S104 VanDerWaalsContact O-N 3.08Å; C102-L145 HydrophobicContact CB-CD1 4.07Å; C102-L145 HydrophobicContact CB-CD2 4.35Å
103R65.1Low67.7Low63 Ų6357.9 Ų57.924%0.23835%0.349CS..PPolyproline II helixtrans-52.8123.7179.8-173.4171.9179.5-179.1-3.5109.8E105 S107 C109 D117R103-E105 PolarHBondContact O-N 2.94Å; R103-S107 PolarHBondContact NH2-OG 2.99Å; R103-C109 PolarHBondContact NH1-SG 3.32Å; R103-C109 PolarHBondContact NH2-SG 3.34Å; R103-D117 WeakPolarHBondContact CD-OD2 3.44Å; R103-D117 IonicContact NH1-OD2 3.99Å; R103-D117 PolarHBondContact NH1-OD2 2.83Å
104S48.4Very low65.5Low88 Ų8860.8 Ų60.862%0.61536%0.36SS*.PPolyproline II helixtrans-58.6136.5176.1179.30000109.6C102 A106 S107C102-S104 PolarHBondContact O-N 3.07Å; C102-S104 VanDerWaalsContact O-N 3.08Å; S104-A106 PolarHBondContact O-N 3.38Å; S104-S107 PolarHBondContact O-N 3.11Å
105E38.5Very low63.4Low158 Ų15868.2 Ų68.274%0.73840%0.399SS*.THydrogen-bonded Turntrans-56.2-6.4179.1-57.4-162.5132.100114.5R103 S107 R114R103-E105 PolarHBondContact O-N 2.94Å; E105-S107 VanDerWaalsContact C-N 3.29Å; E105-S107 PolarHBondContact O-N 3.22Å; E105-R114 IonicContact OE1-NH1 3.43Å
106A41.2Very low61.4Low90 Ų9075.2 Ų75.274%0.74442%0.423SS*.THydrogen-bonded Turntrans-74-10.4179.600000114.8S104S104-A106 PolarHBondContact O-N 3.38Å
107S45.9Very low59.8Low47 Ų4774.4 Ų74.433%0.32942%0.42SS..SBendtrans-92.5124.5173.4-163.40000110.2R103 S104 E105 C109R103-S107 PolarHBondContact NH2-OG 2.99Å; S104-S107 PolarHBondContact O-N 3.11Å; E105-S107 VanDerWaalsContact C-N 3.29Å; E105-S107 PolarHBondContact O-N 3.22Å; S107-C109 PolarHBondContact O-N 3.09Å
108P41.8Very low58.5Low127 Ų12775.8 Ų75.883%0.82543%0.43SS*.  trans-75.168.8-17932.3-34000109.8
109C46.2Very low58.1Low19 Ų1975.1 Ų75.113%0.12843%0.431CS..  trans-88.7131.3164.8-97.20000107.6R103 S107 D113R103-C109 PolarHBondContact NH1-SG 3.32Å; R103-C109 PolarHBondContact NH2-SG 3.34Å; S107-C109 PolarHBondContact O-N 3.09Å; C109-D113 HydrophobicContact CB-CB 3.52Å; C109-D113 VanDerWaalsContact SG-CB 3.6Å
110S47.3Very low58.2Low60 Ų6072.9 Ų72.942%0.4242%0.419SS..  trans-52.7155.6174.365.50000109.8A112 D113 R114S110-A112 PolarHBondContact O-N 3.22Å; S110-D113 PolarHBondContact N-OD2 2.87Å; S110-D113 WeakPolarHBondContact O-CA 3.06Å; S110-D113 WeakPolarHBondContact O-CB 3.08Å; S110-D113 PolarHBondContact O-N 3.4Å; S110-D113 VanDerWaalsContact OG-CG 3.24Å; S110-D113 PolarHBondContact OG-N 2.8Å; S110-D113 PolarHBondContact OG-OD2 2.71Å; S110-R114 PolarHBondContact O-N 3.32Å; S110-R114 VanDerWaalsContact O-N 3.11Å
111A51.8Low58.4Low76 Ų7672.8 Ų72.863%0.62842%0.418SS*.Hα-helixtrans-52.7-30.4174.200000111.9R114 L115A111-R114 PolarHBondContact O-N 3.13Å; A111-L115 PolarHBondContact O-N 2.86Å
112A52.2Low59.1Low55 Ų5570.8 Ų70.846%0.45540%0.404SS..Hα-helixtrans-66.7-35.2173.500000113.5S110 L115 R116S110-A112 PolarHBondContact O-N 3.22Å; A112-L115 PolarHBondContact O-N 2.76Å; A112-R116 PolarHBondContact O-N 2.86Å
113D51.4Low60.3Low33 Ų3367.2 Ų67.218%0.17638%0.381CS..Hα-helixtrans-73.7-34.2175.2-67.5-41.4000112.1C109 S110 L115 R116 D117C109-D113 HydrophobicContact CB-CB 3.52Å; C109-D113 VanDerWaalsContact SG-CB 3.6Å; S110-D113 PolarHBondContact N-OD2 2.87Å; S110-D113 WeakPolarHBondContact O-CA 3.06Å; S110-D113 WeakPolarHBondContact O-CB 3.08Å; S110-D113 PolarHBondContact O-N 3.4Å; S110-D113 VanDerWaalsContact OG-CG 3.24Å; S110-D113 PolarHBondContact OG-N 2.8Å; S110-D113 PolarHBondContact OG-OD2 2.71Å; D113-L115 PolarHBondContact O-N 2.95Å; D113-R116 PolarHBondContact O-N 2.83Å; D113-D117 PolarHBondContact O-N 2.83Å
114R50.3Low61.6Low150 Ų15066.7 Ų66.757%0.56638%0.379SS*.Hα-helixtrans-61.8-33.7173-60.2-173.4-163.1-161.32.5112E105 S110 A111 R116E105-R114 IonicContact OE1-NH1 3.43Å; S110-R114 PolarHBondContact O-N 3.32Å; S110-R114 VanDerWaalsContact O-N 3.11Å; A111-R114 PolarHBondContact O-N 3.13Å; R114-R116 VanDerWaalsContact C-N 3.32Å
115L51.2Low63.8Low157 Ų15762.5 Ų62.582%0.82235%0.349SS*.Hα-helixtrans-72.8-23.3173.8-86.2153.8000113.2A111 A112 D113A111-L115 PolarHBondContact O-N 2.86Å; A112-L115 PolarHBondContact O-N 2.76Å; D113-L115 PolarHBondContact O-N 2.95Å
116R54.1Low66.1Low179 Ų17956.1 Ų56.168%0.67532%0.318SS*.Hα-helixtrans-94.3-18.9179.9-76.5-179.1178.3177.80.8113.8A112 D113 R114 S118 A176A112-R116 PolarHBondContact O-N 2.86Å; D113-R116 PolarHBondContact O-N 2.83Å; R114-R116 VanDerWaalsContact C-N 3.32Å; R116-S118 PolarHBondContact O-N 2.82Å; R116-A176 HydrophobicContact CB-CB 3.99Å
117D58.9Low68.1Low26 Ų2652.7 Ų52.714%0.13929%0.288CS..  trans-67.8104.6-178.6-141.6-13.4000109.5R103 D113 N119 A176R103-D117 WeakPolarHBondContact CD-OD2 3.44Å; R103-D117 IonicContact NH1-OD2 3.99Å; R103-D117 PolarHBondContact NH1-OD2 2.83Å; D113-D117 PolarHBondContact O-N 2.83Å; D117-N119 PolarHBondContact O-N 2.89Å; D117-A176 PolarHBondContact OD1-N 2.8Å
118S67.6Low69.4Low30 Ų3051.7 Ų51.721%0.2128%0.281CS..  trans-82115.9177.259.60000107.2R116 D120 I174R116-S118 PolarHBondContact O-N 2.82Å; S118-D120 WeakPolarHBondContact CB-OD1 3.39Å; S118-D120 PolarHBondContact O-N 2.85Å; S118-D120 PolarHBondContact OG-OD2 2.86Å; S118-I174 VanDerWaalsContact O-O 3.1Å
119N81.6Confident70.4Confident37 Ų3750.2 Ų50.220%0.19827%0.271CS..  trans-66.863.6171.7-75-39.2000110.3D117 F121 R143 T144 L145D117-N119 PolarHBondContact O-N 2.89Å; N119-F121 HydrophobicContact CB-CE2 3.9Å; N119-F121 WeakPolarHBondContact O-CD2 3.3Å; N119-R143 WeakPolarHBondContact O-CA 3.24Å; N119-R143 PolarHBondContact O-N 2.92Å; N119-T144 PolarHBondContact O-N 3.37Å; N119-L145 HydrophobicContact CB-CD2 4.09Å
120D89.7Confident71Confident13 Ų1353.7 Ų53.77%0.0728%0.284CS..EExtended strand (participates in β ladder)trans-107.3111-169.8-74.914.9000107.9S118 T140 R141 R142 R143 R173 I174S118-D120 WeakPolarHBondContact CB-OD1 3.39Å; S118-D120 PolarHBondContact O-N 2.85Å; S118-D120 PolarHBondContact OG-OD2 2.86Å; D120-T140 HydrophobicContact CB-CG2 4.06Å; D120-R141 CarbonylContact C-O 3.56Å; D120-R141 WeakPolarHBondContact CA-O 3.1Å; D120-R142 HydrophobicContact CB-CG 4.44Å; D120-R142 WeakPolarHBondContact OD1-CA 3.39Å; D120-R142 WeakPolarHBondContact OD1-CB 3.38Å; D120-R142 VanDerWaalsContact OD2-CD 3.3Å; D120-R142 WeakPolarHBondContact OD2-CD 3.33Å; D120-R142 VanDerWaalsContact OD2-CG 3.25Å; D120-R142 WeakPolarHBondContact OD2-CG 3.3Å; D120-R142 IonicContact OD2-NE 3.53Å; D120-R143 PolarHBondContact OD1-N 3.02Å; D120-R173 CarbonylContact O-C 3.56Å; D120-R173 WeakPolarHBondContact O-CA 3.46Å; D120-I174 HydrophobicContact CB-CB 4.17Å; D120-I174 PolarHBondContact O-N 3.4Å
121F92.8Very high71Confident0 Ų052.5 Ų52.50%028%0.282CS..EExtended strand (participates in β ladder)trans-121146.5-173.3-60.1-89.4000111.9L100 N119 T140 R141 T144 L145 P147 Y172 R173 V183L100-F121 HydrophobicContact CB-CE1 4.19Å; L100-F121 HydrophobicContact CB-CE2 4.39Å; L100-F121 HydrophobicContact CB-CZ 4.02Å; L100-F121 HydrophobicContact CD1-CB 4.08Å; L100-F121 HydrophobicContact CD1-CD1 3.75Å; L100-F121 HydrophobicContact CD1-CD2 3.92Å; L100-F121 HydrophobicContact CD1-CE1 4.07Å; L100-F121 HydrophobicContact CD1-CE2 4.24Å; L100-F121 HydrophobicContact CD1-CG 3.65Å; L100-F121 HydrophobicContact CD1-CZ 4.3Å; N119-F121 HydrophobicContact CB-CE2 3.9Å; N119-F121 WeakPolarHBondContact O-CD2 3.3Å; F121-T140 CarbonylContact O-C 3.38Å; F121-T140 WeakPolarHBondContact O-CA 3.44Å; F121-R141 PolarHBondContact N-O 3.43Å; F121-R141 PolarHBondContact O-N 2.79Å; F121-T144 WeakPolarHBondContact CD2-O 3.47Å; F121-T144 WeakPolarHBondContact CE2-O 3.2Å; F121-L145 HydrophobicContact CE2-CD2 3.94Å; F121-L145 HydrophobicContact CZ-CD2 4.12Å; F121-P147 HydrophobicContact CB-CG 4.46Å; F121-Y172 WeakPolarHBondContact CA-O 3.49Å; F121-R173 HydrophobicContact CD1-CB 3.84Å; F121-R173 HydrophobicContact CD1-CG 4.26Å; F121-R173 HydrophobicContact CE1-CB 3.66Å; F121-R173 HydrophobicContact CE1-CG 3.85Å; F121-R173 HydrophobicContact CZ-CG 4.22Å; F121-V183 HydrophobicContact CD1-CG2 4.08Å; F121-V183 HydrophobicContact CE1-CG2 3.84Å
122F94.8Very high70.8Confident4 Ų456.1 Ų56.12%0.01829%0.29CS..EExtended strand (participates in β ladder)trans-142.1160.6166.766-88.3000109R124 Q137 Y172 I174 I180F122-R124 HydrophobicContact CD2-CG 4.37Å; F122-R124 HydrophobicContact CE2-CG 4.05Å; F122-Q137 HydrophobicContact CD2-CG 3.59Å; F122-Q137 HydrophobicContact CE2-CG 4.02Å; F122-Y172 HydrophobicContact CD2-CD2 4.33Å; F122-Y172 AromaticContact CE2-CD2 3.7Å; F122-Y172 HydrophobicContact CE2-CD2 3.7Å; F122-Y172 AromaticContact CE2-CG 3.91Å; F122-Y172 HydrophobicContact CE2-CG 3.91Å; F122-Y172 VanDerWaalsContact CZ-CB 3.44Å; F122-Y172 HydrophobicContact CZ-CD2 4.13Å; F122-Y172 AromaticContact CZ-CG 3.84Å; F122-Y172 HydrophobicContact CZ-CG 3.84Å; F122-Y172 PolarHBondContact N-O 3Å; F122-Y172 VanDerWaalsContact N-O 3.08Å; F122-Y172 PolarHBondContact O-N 2.9Å; F122-I174 HydrophobicContact CD1-CD1 4.23Å; F122-I174 HydrophobicContact CD1-CG1 4.14Å; F122-I174 HydrophobicContact CE1-CD1 4.2Å; F122-I174 HydrophobicContact CE1-CG1 3.88Å; F122-I180 HydrophobicContact CE1-CD1 4.4Å; F122-I180 HydrophobicContact CE1-CG1 4.16Å; F122-I180 HydrophobicContact CE1-CG2 4.15Å; F122-I180 HydrophobicContact CZ-CD1 4Å; F122-I180 HydrophobicContact CZ-CG1 4.1Å; F122-I180 HydrophobicContact CZ-CG2 3.63Å
123L95.3Very high71Confident0 Ų062.7 Ų62.70%031%0.309CS..EExtended strand (participates in β ladder)trans-112.3146.5178.5-53.3177.6000109.8I77 V94 V97 Q137 T138 F149 I169 V170 A171 F207I77-L123 HydrophobicContact CD1-CD1 3.68Å; V94-L123 HydrophobicContact CG1-CD1 3.47Å; V94-L123 VanDerWaalsContact CG1-CD1 3.47Å; V97-L123 HydrophobicContact CG2-CD1 3.85Å; V97-L123 HydrophobicContact CG2-CD2 4.39Å; L123-Q137 WeakPolarHBondContact O-CA 3.42Å; L123-T138 HydrophobicContact CB-CG2 3.85Å; L123-T138 HydrophobicContact CG-CG2 4.43Å; L123-T138 PolarHBondContact N-OG1 2.91Å; L123-T138 PolarHBondContact O-N 2.88Å; L123-F149 HydrophobicContact CD1-CD2 3.64Å; L123-F149 HydrophobicContact CD1-CE2 3.42Å; L123-F149 VanDerWaalsContact CD1-CE2 3.42Å; L123-F149 HydrophobicContact CD1-CG 4.43Å; L123-F149 HydrophobicContact CD1-CZ 4.07Å; L123-F149 HydrophobicContact CD2-CE2 4.24Å; L123-F149 HydrophobicContact CD2-CZ 4.33Å; L123-F149 HydrophobicContact CG-CD2 4.19Å; L123-F149 HydrophobicContact CG-CE1 4.4Å; L123-F149 HydrophobicContact CG-CE2 3.58Å; L123-F149 HydrophobicContact CG-CZ 3.71Å; L123-I169 HydrophobicContact CB-CG2 4.22Å; L123-I169 HydrophobicContact CD1-CG2 4.3Å; L123-V170 CarbonylContact C-O 3.51Å; L123-V170 VanDerWaalsContact CA-O 3.28Å; L123-V170 WeakPolarHBondContact CA-O 3.36Å; L123-A171 VanDerWaalsContact CD2-CA 3.48Å; L123-A171 HydrophobicContact CD2-CB 3.52Å; L123-F207 HydrophobicContact CD2-CZ 4.17Å
124R93.4Very high71.9Confident52 Ų5265.3 Ų65.320%0.19633%0.329CS..EExtended strand (participates in β ladder)trans-113.9133.8163.5-70.2-175.6177.5166.8-6.8109.8F122 Y126 F135 A136 Q137 I169 V170 Y172F122-R124 HydrophobicContact CD2-CG 4.37Å; F122-R124 HydrophobicContact CE2-CG 4.05Å; R124-Y126 HydrophobicContact CB-CD2 4.25Å; R124-Y126 HydrophobicContact CB-CE2 3.39Å; R124-Y126 WeakPolarHBondContact CD-OH 3.46Å; R124-F135 HydrophobicContact CB-CD2 4.33Å; R124-F135 HydrophobicContact CG-CD2 3.92Å; R124-F135 HydrophobicContact CG-CE2 4.21Å; R124-A136 CarbonylContact C-O 3.56Å; R124-A136 VanDerWaalsContact CA-O 3.3Å; R124-A136 WeakPolarHBondContact CA-O 3.36Å; R124-Q137 HydrophobicContact CG-CB 4.31Å; R124-Q137 HydrophobicContact CG-CG 3.93Å; R124-I169 CarbonylContact O-C 3.58Å; R124-I169 WeakPolarHBondContact O-CA 3.47Å; R124-V170 PolarHBondContact N-O 2.89Å; R124-V170 PolarHBondContact O-N 2.78Å; R124-Y172 HydrophobicContact CB-CD2 4.43Å; R124-Y172 HydrophobicContact CB-CE2 4Å; R124-Y172 HydrophobicContact CG-CD2 4.1Å; R124-Y172 HydrophobicContact CG-CE2 3.88Å
125V93.2Very high73.6Confident0 Ų061.7 Ų61.70%032%0.317CS..EExtended strand (participates in β ladder)trans-112.1124.6-179.7-174.20000108I92 V94 F135 A136 F153 F155 L167 I169I92-V125 HydrophobicContact CG2-CG1 4.35Å; V94-V125 HydrophobicContact CG2-CG2 4.02Å; V125-F135 CarbonylContact O-C 3.52Å; V125-F135 VanDerWaalsContact O-CA 3.25Å; V125-F135 WeakPolarHBondContact O-CA 3.28Å; V125-F135 WeakPolarHBondContact O-CB 3.37Å; V125-A136 PolarHBondContact N-O 2.82Å; V125-A136 PolarHBondContact O-N 3.17Å; V125-F153 HydrophobicContact CB-CD2 4.36Å; V125-F153 HydrophobicContact CG2-CD2 3.81Å; V125-F153 HydrophobicContact CG2-CE2 3.97Å; V125-F155 HydrophobicContact CB-CE2 4.44Å; V125-F155 HydrophobicContact CB-CZ 4.15Å; V125-F155 HydrophobicContact CG1-CE2 3.75Å; V125-F155 HydrophobicContact CG1-CZ 3.83Å; V125-L167 HydrophobicContact CG1-CD1 3.58Å; V125-L167 HydrophobicContact CG1-CG 4.36Å; V125-I169 HydrophobicContact CG1-CG1 4.29Å; V125-I169 HydrophobicContact CG2-CG1 4.32Å; V125-I169 HydrophobicContact CG2-CG2 4.36Å
126Y87.7Confident75.6Confident23 Ų2355.1 Ų55.19%0.0929%0.286CS..EExtended strand (participates in β ladder)trans-123.1148.3-178.6-55-104.4000109.7R124 F135 L167 K168 V170R124-Y126 HydrophobicContact CB-CD2 4.25Å; R124-Y126 HydrophobicContact CB-CE2 3.39Å; R124-Y126 WeakPolarHBondContact CD-OH 3.46Å; Y126-F135 HydrophobicContact CD1-CB 3.52Å; Y126-F135 HydrophobicContact CD1-CG 4.47Å; Y126-F135 HydrophobicContact CD2-CB 4.46Å; Y126-F135 HydrophobicContact CE1-CB 3.44Å; Y126-F135 VanDerWaalsContact CE1-CB 3.44Å; Y126-F135 AromaticContact CE1-CD1 3.93Å; Y126-F135 HydrophobicContact CE1-CD1 3.93Å; Y126-F135 AromaticContact CE1-CG 3.93Å; Y126-F135 HydrophobicContact CE1-CG 3.93Å; Y126-F135 HydrophobicContact CE2-CB 4.38Å; Y126-F135 HydrophobicContact CG-CB 4.04Å; Y126-L167 WeakPolarHBondContact O-CA 3.24Å; Y126-K168 PolarHBondContact N-O 2.74Å; Y126-K168 PolarHBondContact O-N 3.2Å; Y126-V170 HydrophobicContact CD2-CG2 4.25Å; Y126-V170 HydrophobicContact CE2-CB 4.4Å; Y126-V170 HydrophobicContact CE2-CG2 3.85Å
127L83.9Confident77.4Confident18 Ų1850.5 Ų50.59%0.09427%0.272CS..EExtended strand (participates in β ladder)trans-116.7130.8170.4-174.265.3000108.8L90 F155 L157 R165 L190L90-L127 HydrophobicContact CD2-CD1 3.89Å; L90-L127 HydrophobicContact CD2-CD2 4.31Å; L127-F155 HydrophobicContact CB-CD1 4.15Å; L127-F155 HydrophobicContact CB-CG 4.37Å; L127-F155 HydrophobicContact CD2-CB 3.87Å; L127-F155 HydrophobicContact CD2-CG 4.35Å; L127-L157 HydrophobicContact CD2-CB 4.31Å; L127-L157 HydrophobicContact CD2-CD2 4.37Å; L127-R165 HydrophobicContact CD1-CB 4.01Å; L127-L190 HydrophobicContact CD1-CD1 4Å
128S72Confident79.2Confident27 Ų2749.4 Ų49.419%0.18927%0.266CS..SBendtrans-54.5145.7177.2178.50000111.8R165 C166S128-R165 WeakPolarHBondContact O-CD 3.38Å; S128-R165 PolarHBondContact O-NE 3.07Å; S128-R165 PolarHBondContact O-NH1 3.41Å; S128-C166 PolarHBondContact N-O 2.92Å
129P64.1Low80.5Confident96 Ų9654.9 Ų54.962%0.62329%0.286SS*.SBendcis-71.9134.8-1.431-20.8000108.6G131P129-G131 PolarHBondContact O-N 3.1Å
130F57.6Low81.1Confident91 Ų9155.5 Ų55.540%0.39929%0.291SS..  trans-71.481.3-173.8-53.7-58.9000110.1C166 K168 L187F130-C166 VanDerWaalsContact CE1-O 3.25Å; F130-C166 WeakPolarHBondContact CE1-O 3.11Å; F130-C166 HydrophobicContact CZ-CB 3.98Å; F130-C166 WeakPolarHBondContact CZ-O 3.41Å; F130-K168 HydrophobicContact CD1-CB 4.02Å; F130-K168 HydrophobicContact CE1-CB 3.41Å; F130-K168 VanDerWaalsContact CE1-CB 3.41Å; F130-K168 HydrophobicContact CZ-CB 3.75Å; F130-L187 HydrophobicContact CE2-CD2 4.5Å; F130-L187 HydrophobicContact CZ-CD2 4.2Å
131G48.2Very low81.3Confident36 Ų3659.4 Ų59.437%0.37131%0.305SS..  trans-87.3139171.400000110.4P129 K133 C134P129-G131 PolarHBondContact O-N 3.1Å; G131-K133 PolarHBondContact O-N 3.26Å; G131-C134 PolarHBondContact O-N 2.74Å
132D48Very low81.1Confident151 Ų15168.3 Ų68.381%0.80734%0.339SS*.THydrogen-bonded Turntrans-56.9-12.5-174.6-66.8-29000115.4
133K55.8Low80.6Confident194 Ų19478.6 Ų78.684%0.84338%0.377SS*.THydrogen-bonded Turntrans-105.9-12.3-174.5-64.6-174.1178.7-179.50115.1G131G131-K133 PolarHBondContact O-N 3.26Å
134C69.8Low80.2Confident87 Ų8780.6 Ų80.659%0.58839%0.39SS*.  trans-111.278.5-174.2-63.80000110.8G131G131-C134 PolarHBondContact O-N 2.74Å
135F86.6Confident80Confident74 Ų7480.5 Ų80.533%0.32539%0.393SS..EExtended strand (participates in β ladder)trans-136.6151.4173.867.2-93.9000111.6R124 V125 Y126 Q137R124-F135 HydrophobicContact CB-CD2 4.33Å; R124-F135 HydrophobicContact CG-CD2 3.92Å; R124-F135 HydrophobicContact CG-CE2 4.21Å; V125-F135 CarbonylContact O-C 3.52Å; V125-F135 VanDerWaalsContact O-CA 3.25Å; V125-F135 WeakPolarHBondContact O-CA 3.28Å; V125-F135 WeakPolarHBondContact O-CB 3.37Å; Y126-F135 HydrophobicContact CD1-CB 3.52Å; Y126-F135 HydrophobicContact CD1-CG 4.47Å; Y126-F135 HydrophobicContact CD2-CB 4.46Å; Y126-F135 HydrophobicContact CE1-CB 3.44Å; Y126-F135 VanDerWaalsContact CE1-CB 3.44Å; Y126-F135 AromaticContact CE1-CD1 3.93Å; Y126-F135 HydrophobicContact CE1-CD1 3.93Å; Y126-F135 AromaticContact CE1-CG 3.93Å; Y126-F135 HydrophobicContact CE1-CG 3.93Å; Y126-F135 HydrophobicContact CE2-CB 4.38Å; Y126-F135 HydrophobicContact CG-CB 4.04Å; F135-Q137 HydrophobicContact CD2-CB 4.31Å; F135-Q137 HydrophobicContact CE2-CB 4.21Å
136A92Very high79.8Confident20 Ų2084.7 Ų84.717%0.16542%0.415CS..EExtended strand (participates in β ladder)trans-102.5148.4165.800000109.5R124 V125 F153 F155R124-A136 CarbonylContact C-O 3.56Å; R124-A136 VanDerWaalsContact CA-O 3.3Å; R124-A136 WeakPolarHBondContact CA-O 3.36Å; V125-A136 PolarHBondContact N-O 2.82Å; V125-A136 PolarHBondContact O-N 3.17Å; A136-F153 HydrophobicContact CB-CB 3.77Å; A136-F153 HydrophobicContact CB-CD1 3.29Å; A136-F153 HydrophobicContact CB-CD2 4.2Å; A136-F153 HydrophobicContact CB-CE1 3.85Å; A136-F153 HydrophobicContact CB-CG 3.47Å; A136-F153 VanDerWaalsContact CB-CG 3.47Å; A136-F155 HydrophobicContact CB-CE1 4.49Å; A136-F155 HydrophobicContact CB-CZ 3.91Å
137Q93.8Very high80Confident81 Ų8183.6 Ų83.638%0.37941%0.411SS..EExtended strand (participates in β ladder)trans-129.7134.2-175.8-167.5-177.1-81.900110.5F122 L123 R124 F135F122-Q137 HydrophobicContact CD2-CG 3.59Å; F122-Q137 HydrophobicContact CE2-CG 4.02Å; L123-Q137 WeakPolarHBondContact O-CA 3.42Å; R124-Q137 HydrophobicContact CG-CB 4.31Å; R124-Q137 HydrophobicContact CG-CG 3.93Å; F135-Q137 HydrophobicContact CD2-CB 4.31Å; F135-Q137 HydrophobicContact CE2-CB 4.21Å
138T95.8Very high80.5Confident4 Ų488.3 Ų88.33%0.02543%0.431CS..PPolyproline II helixtrans-73.1164.3173.470.40000111.5V94 L123 F149 E151 F153V94-T138 HydrophobicContact CG1-CG2 4.3Å; L123-T138 HydrophobicContact CB-CG2 3.85Å; L123-T138 HydrophobicContact CG-CG2 4.43Å; L123-T138 PolarHBondContact N-OG1 2.91Å; L123-T138 PolarHBondContact O-N 2.88Å; T138-F149 HydrophobicContact CG2-CB 4.28Å; T138-F149 HydrophobicContact CG2-CD1 3.87Å; T138-F149 HydrophobicContact CG2-CE1 4.44Å; T138-F149 HydrophobicContact CG2-CG 4.06Å; T138-F149 VanDerWaalsContact OG1-CD1 3.3Å; T138-F149 WeakPolarHBondContact OG1-CD1 3.24Å; T138-F149 WeakPolarHBondContact OG1-CE1 3.47Å; T138-E151 WeakPolarHBondContact CA-OE2 3.17Å; T138-F153 HydrophobicContact CG2-CE2 3.7Å; T138-F153 HydrophobicContact CG2-CZ 3.68Å
139K95.1Very high81.6Confident145 Ų14587 Ų8763%0.6342%0.422SS*.PPolyproline II helixtrans-62.9146.4163-63.9172.7-174.8170.80109.7R141 F149 E151K139-R141 PolarHBondContact O-N 2.87Å; K139-F149 WeakPolarHBondContact O-CE1 3.33Å; K139-E151 WeakPolarHBondContact CB-OE1 3.5Å; K139-E151 PolarHBondContact N-OE1 2.78Å; K139-E151 PolarHBondContact N-OE2 2.77Å; K139-E151 VanDerWaalsContact N-OE2 3.17Å
140T93.8Very high83Confident50 Ų5087.5 Ų87.531%0.30742%0.419SS..PPolyproline II helixtrans-72.3123.3173.5-50.50000110.2D120 F121 R142 I174D120-T140 HydrophobicContact CB-CG2 4.06Å; F121-T140 CarbonylContact O-C 3.38Å; F121-T140 WeakPolarHBondContact O-CA 3.44Å; T140-R142 HydrophobicContact CG2-CG 4.47Å; T140-I174 HydrophobicContact CG2-CD1 3.79Å
141R93.5Very high84.9Confident94 Ų9484.6 Ų84.636%0.35541%0.407SS..BIsolated β-bridgetrans-96.8120.6172.9-63.3-58.9-176.3169.84.7108.7D120 F121 K139 T144 P147 K148 F149D120-R141 CarbonylContact C-O 3.56Å; D120-R141 WeakPolarHBondContact CA-O 3.1Å; F121-R141 PolarHBondContact N-O 3.43Å; F121-R141 PolarHBondContact O-N 2.79Å; K139-R141 PolarHBondContact O-N 2.87Å; R141-T144 HydrophobicContact CB-CG2 4.09Å; R141-P147 HydrophobicContact CB-CB 3.55Å; R141-P147 HydrophobicContact CG-CB 3.86Å; R141-K148 VanDerWaalsContact CZ-O 3.26Å; R141-K148 PolarHBondContact NE-O 3.04Å; R141-K148 PolarHBondContact NH2-O 3.08Å; R141-F149 HydrophobicContact CB-CE1 4.21Å; R141-F149 HydrophobicContact CG-CD1 3.71Å; R141-F149 HydrophobicContact CG-CE1 3.54Å; R141-F149 HydrophobicContact CG-CZ 4.28Å; R141-F149 PolarHBondContact NH2-O 3.36Å
142R88.8Confident87.1Confident188 Ų18886.3 Ų86.371%0.70941%0.41SS*.PPolyproline II helixtrans-95.8147.2-170.6-58.7-164.7177.4161.80.4112.5D120 T140 T144D120-R142 HydrophobicContact CB-CG 4.44Å; D120-R142 WeakPolarHBondContact OD1-CA 3.39Å; D120-R142 WeakPolarHBondContact OD1-CB 3.38Å; D120-R142 VanDerWaalsContact OD2-CD 3.3Å; D120-R142 WeakPolarHBondContact OD2-CD 3.33Å; D120-R142 VanDerWaalsContact OD2-CG 3.25Å; D120-R142 WeakPolarHBondContact OD2-CG 3.3Å; D120-R142 IonicContact OD2-NE 3.53Å; T140-R142 HydrophobicContact CG2-CG 4.47Å; R142-T144 VanDerWaalsContact C-N 3.29Å; R142-T144 PolarHBondContact O-N 3.5Å
143R84.4Confident89.4Confident219 Ų21980.3 Ų80.383%0.82638%0.377SS*.SBendtrans52.240.7172-56.6178.5177.8177.5-2.5114.2N119 D120N119-R143 WeakPolarHBondContact O-CA 3.24Å; N119-R143 PolarHBondContact O-N 2.92Å; D120-R143 PolarHBondContact OD1-N 3.02Å
144T87.5Confident91.2Very high43 Ų4374.8 Ų74.826%0.26436%0.359SS..  trans-145.2135.8178.5-179.40000111.6N119 F121 R141 R142 N146 P147N119-T144 PolarHBondContact O-N 3.37Å; F121-T144 WeakPolarHBondContact CD2-O 3.47Å; F121-T144 WeakPolarHBondContact CE2-O 3.2Å; R141-T144 HydrophobicContact CB-CG2 4.09Å; R142-T144 VanDerWaalsContact C-N 3.29Å; R142-T144 PolarHBondContact O-N 3.5Å; T144-N146 VanDerWaalsContact C-N 3.32Å; T144-N146 PolarHBondContact OG1-N 2.92Å; T144-N146 VanDerWaalsContact OG1-N 3.08Å; T144-N146 PolarHBondContact OG1-O 2.95Å; T144-P147 HydrophobicContact CG2-CB 3.87Å
145L87.7Confident92.2Very high50 Ų5071.9 Ų71.926%0.26234%0.337SS..SBendtrans-88.5-6.3170.7-57.5179.5000112.4N99 L100 C102 N119 F121N99-L145 PolarHBondContact N-O 3.42Å; L100-L145 WeakPolarHBondContact CB-O 3.33Å; L100-L145 PolarHBondContact N-O 3.33Å; L100-L145 VanDerWaalsContact N-O 3.08Å; C102-L145 HydrophobicContact CB-CD1 4.07Å; C102-L145 HydrophobicContact CB-CD2 4.35Å; N119-L145 HydrophobicContact CB-CD2 4.09Å; F121-L145 HydrophobicContact CE2-CD2 3.94Å; F121-L145 HydrophobicContact CZ-CD2 4.12Å
146N90.4Very high92.3Very high87 Ų8776.8 Ų76.847%0.46536%0.36SS..SBendtrans-126.762.6-179.7-56.9-69.7000109.6V97 R98 N99 T144 K148V97-N146 CarbonylContact O-C 3.51Å; V97-N146 WeakPolarHBondContact O-CA 3.43Å; R98-N146 WeakPolarHBondContact CA-OD1 3.46Å; R98-N146 WeakPolarHBondContact CB-OD1 3.23Å; R98-N146 HydrophobicContact CG-CB 4.39Å; N99-N146 PolarHBondContact N-OD1 3.15Å; T144-N146 VanDerWaalsContact C-N 3.32Å; T144-N146 PolarHBondContact OG1-N 2.92Å; T144-N146 VanDerWaalsContact OG1-N 3.08Å; T144-N146 PolarHBondContact OG1-O 2.95Å; N146-K148 PolarHBondContact O-N 3.39Å
147P92.2Very high92.1Very high1 Ų176.1 Ų76.11%0.00635%0.354CS..  trans-68.3130.5-176.728-32.6000110.7V97 L100 F121 R141 T144 F149V97-P147 HydrophobicContact CB-CG 4.01Å; V97-P147 PolarHBondContact N-O 3.32Å; V97-P147 WeakPolarHBondContact O-CD 3.47Å; L100-P147 HydrophobicContact CD1-CG 3.75Å; F121-P147 HydrophobicContact CB-CG 4.46Å; R141-P147 HydrophobicContact CB-CB 3.55Å; R141-P147 HydrophobicContact CG-CB 3.86Å; T144-P147 HydrophobicContact CG2-CB 3.87Å; P147-F149 HydrophobicContact CB-CD2 4.46Å; P147-F149 HydrophobicContact CB-CE1 4.28Å; P147-F149 HydrophobicContact CB-CE2 3.75Å; P147-F149 HydrophobicContact CB-CZ 3.65Å; P147-F149 HydrophobicContact CG-CE2 3.6Å; P147-F149 HydrophobicContact CG-CZ 3.68Å
148K93.9Very high91.8Very high116 Ų11673.9 Ų73.950%0.50435%0.347SS..EExtended strand (participates in β ladder)trans-95.7119.3163.9-171.7177-179.8-171.90108.3D95 K96 R141 N146 D150D95-K148 WeakPolarHBondContact OD1-CE 3.21Å; K96-K148 HydrophobicContact CB-CG 4.37Å; R141-K148 VanDerWaalsContact CZ-O 3.26Å; R141-K148 PolarHBondContact NE-O 3.04Å; R141-K148 PolarHBondContact NH2-O 3.08Å; N146-K148 PolarHBondContact O-N 3.39Å; K148-D150 VanDerWaalsContact CE-OD2 3.32Å; K148-D150 WeakPolarHBondContact CE-OD2 3.23Å; K148-D150 IonicContact NZ-OD2 3.88Å; K148-D150 PolarHBondContact NZ-OD2 3.05Å
149F94.4Very high91.4Very high1 Ų176.3 Ų76.30%0.00436%0.363CS..EExtended strand (participates in β ladder)trans-91.7-55.7-178.8-66.1-76000110.4V94 D95 V97 L123 T138 K139 R141 P147V94-F149 HydrophobicContact CG1-CB 4.09Å; V94-F149 HydrophobicContact CG1-CD2 4.1Å; V94-F149 HydrophobicContact CG1-CG 4.32Å; D95-F149 PolarHBondContact O-N 2.84Å; V97-F149 HydrophobicContact CB-CE2 4.38Å; V97-F149 HydrophobicContact CG2-CD2 4.41Å; V97-F149 HydrophobicContact CG2-CE2 3.91Å; L123-F149 HydrophobicContact CD1-CD2 3.64Å; L123-F149 HydrophobicContact CD1-CE2 3.42Å; L123-F149 VanDerWaalsContact CD1-CE2 3.42Å; L123-F149 HydrophobicContact CD1-CG 4.43Å; L123-F149 HydrophobicContact CD1-CZ 4.07Å; L123-F149 HydrophobicContact CD2-CE2 4.24Å; L123-F149 HydrophobicContact CD2-CZ 4.33Å; L123-F149 HydrophobicContact CG-CD2 4.19Å; L123-F149 HydrophobicContact CG-CE1 4.4Å; L123-F149 HydrophobicContact CG-CE2 3.58Å; L123-F149 HydrophobicContact CG-CZ 3.71Å; T138-F149 HydrophobicContact CG2-CB 4.28Å; T138-F149 HydrophobicContact CG2-CD1 3.87Å; T138-F149 HydrophobicContact CG2-CE1 4.44Å; T138-F149 HydrophobicContact CG2-CG 4.06Å; T138-F149 VanDerWaalsContact OG1-CD1 3.3Å; T138-F149 WeakPolarHBondContact OG1-CD1 3.24Å; T138-F149 WeakPolarHBondContact OG1-CE1 3.47Å; K139-F149 WeakPolarHBondContact O-CE1 3.33Å; R141-F149 HydrophobicContact CB-CE1 4.21Å; R141-F149 HydrophobicContact CG-CD1 3.71Å; R141-F149 HydrophobicContact CG-CE1 3.54Å; R141-F149 HydrophobicContact CG-CZ 4.28Å; R141-F149 PolarHBondContact NH2-O 3.36Å; P147-F149 HydrophobicContact CB-CD2 4.46Å; P147-F149 HydrophobicContact CB-CE1 4.28Å; P147-F149 HydrophobicContact CB-CE2 3.75Å; P147-F149 HydrophobicContact CB-CZ 3.65Å; P147-F149 HydrophobicContact CG-CE2 3.6Å; P147-F149 HydrophobicContact CG-CZ 3.68Å
150D94.3Very high91Very high105 Ų10575.3 Ų75.356%0.56137%0.369SS*.EExtended strand (participates in β ladder)trans56.449.3-178.6-144.1-10.6000111.2V94 D95 K148V94-D150 WeakPolarHBondContact O-CA 3.45Å; V94-D150 PolarHBondContact O-N 3.38Å; D95-D150 PolarHBondContact O-N 2.91Å; D95-D150 VanDerWaalsContact O-N 3.09Å; K148-D150 VanDerWaalsContact CE-OD2 3.32Å; K148-D150 WeakPolarHBondContact CE-OD2 3.23Å; K148-D150 IonicContact NZ-OD2 3.88Å; K148-D150 PolarHBondContact NZ-OD2 3.05Å
151E96.6Very high90.5Very high30 Ų3076.6 Ų76.614%0.1437%0.371CS..EExtended strand (participates in β ladder)trans-123.7142.6-175.1-69.6-179.4-123.700111V94 T138 K139 F153V94-E151 PolarHBondContact N-O 2.93Å; V94-E151 PolarHBondContact O-N 2.81Å; T138-E151 WeakPolarHBondContact CA-OE2 3.17Å; K139-E151 WeakPolarHBondContact CB-OE1 3.5Å; K139-E151 PolarHBondContact N-OE1 2.78Å; K139-E151 PolarHBondContact N-OE2 2.77Å; K139-E151 VanDerWaalsContact N-OE2 3.17Å; E151-F153 HydrophobicContact CB-CE2 4.34Å; E151-F153 HydrophobicContact CB-CZ 4.09Å
152V95.6Very high90.2Very high73 Ų7372.7 Ų72.744%0.44236%0.357SS..EExtended strand (participates in β ladder)trans-110.5135.717870.70000111I92 W93I92-V152 WeakPolarHBondContact O-CA 3.31Å; W93-V152 HydrophobicContact CD2-CG2 4.25Å; W93-V152 HydrophobicContact CG-CB 4.29Å; W93-V152 HydrophobicContact CG-CG2 4.01Å
153F94.7Very high89.8Confident25 Ų2569.1 Ų69.111%0.1135%0.352CS..EExtended strand (participates in β ladder)trans-123.2133.9173.8-55.9-64000110.1S91 I92 V94 V125 A136 T138 E151 F155S91-F153 CarbonylContact C-O 3.51Å; S91-F153 WeakPolarHBondContact CA-O 3.49Å; I92-F153 PolarHBondContact N-O 2.71Å; I92-F153 PolarHBondContact O-N 3.23Å; V94-F153 HydrophobicContact CB-CE2 4.45Å; V94-F153 HydrophobicContact CG2-CD2 3.97Å; V94-F153 HydrophobicContact CG2-CE2 3.88Å; V125-F153 HydrophobicContact CB-CD2 4.36Å; V125-F153 HydrophobicContact CG2-CD2 3.81Å; V125-F153 HydrophobicContact CG2-CE2 3.97Å; A136-F153 HydrophobicContact CB-CB 3.77Å; A136-F153 HydrophobicContact CB-CD1 3.29Å; A136-F153 HydrophobicContact CB-CD2 4.2Å; A136-F153 HydrophobicContact CB-CE1 3.85Å; A136-F153 HydrophobicContact CB-CG 3.47Å; A136-F153 VanDerWaalsContact CB-CG 3.47Å; T138-F153 HydrophobicContact CG2-CE2 3.7Å; T138-F153 HydrophobicContact CG2-CZ 3.68Å; E151-F153 HydrophobicContact CB-CE2 4.34Å; E151-F153 HydrophobicContact CB-CZ 4.09Å; F153-F155 HydrophobicContact CB-CE2 3.99Å; F153-F155 HydrophobicContact CB-CZ 4.48Å
154T93.9Very high89.7Confident77 Ų7764.3 Ų64.347%0.47234%0.339SS..EExtended strand (participates in β ladder)trans-114.2127.4178.2-54.30000109.7K89 L90K89-T154 HydrophobicContact CB-CG2 3.86Å; K89-T154 HydrophobicContact CD-CG2 3.94Å; K89-T154 HydrophobicContact CG-CG2 3.78Å; L90-T154 CarbonylContact O-C 3.5Å; L90-T154 WeakPolarHBondContact O-CA 3.29Å
155F90.3Very high89.3Confident27 Ų2764.7 Ų64.712%0.11834%0.336CS..EExtended strand (participates in β ladder)trans-111.4143174.2-61.7-89.5000109.6K89 L90 I92 V125 L127 A136 F153K89-F155 WeakPolarHBondContact CA-O 3.41Å; L90-F155 HydrophobicContact CB-CB 4.45Å; L90-F155 PolarHBondContact N-O 3.4Å; L90-F155 PolarHBondContact O-N 2.86Å; I92-F155 HydrophobicContact CG1-CD2 4.22Å; I92-F155 HydrophobicContact CG1-CE2 4.17Å; V125-F155 HydrophobicContact CB-CE2 4.44Å; V125-F155 HydrophobicContact CB-CZ 4.15Å; V125-F155 HydrophobicContact CG1-CE2 3.75Å; V125-F155 HydrophobicContact CG1-CZ 3.83Å; L127-F155 HydrophobicContact CB-CD1 4.15Å; L127-F155 HydrophobicContact CB-CG 4.37Å; L127-F155 HydrophobicContact CD2-CB 3.87Å; L127-F155 HydrophobicContact CD2-CG 4.35Å; A136-F155 HydrophobicContact CB-CE1 4.49Å; A136-F155 HydrophobicContact CB-CZ 3.91Å; F153-F155 HydrophobicContact CB-CE2 3.99Å; F153-F155 HydrophobicContact CB-CZ 4.48Å
156E90Very high89.1Confident176 Ų17663.4 Ų63.482%0.82233%0.33SS*.EExtended strand (participates in β ladder)trans-77.3123.6169.7-65.6179.6172.900108.8E88E88-E156 CarbonylContact O-C 3.38Å; E88-E156 WeakPolarHBondContact O-CA 3.19Å
157L87Confident89Confident6 Ų659.3 Ų59.33%0.03131%0.308CS..  trans-147.5114.6-178.1175.257.4000110.3F83 E88 L90 L127 H161 F162 R165 L190F83-L157 HydrophobicContact CE2-CB 4.15Å; F83-L157 HydrophobicContact CE2-CD2 4.25Å; F83-L157 HydrophobicContact CE2-CG 4.11Å; F83-L157 VanDerWaalsContact CE2-O 3.3Å; F83-L157 WeakPolarHBondContact CE2-O 3.37Å; E88-L157 CarbonylContact C-O 3.52Å; E88-L157 WeakPolarHBondContact CA-O 3.32Å; E88-L157 PolarHBondContact O-N 2.79Å; L90-L157 HydrophobicContact CB-CB 4.27Å; L90-L157 HydrophobicContact CB-CD2 4.3Å; L90-L157 HydrophobicContact CD2-CD2 4.04Å; L127-L157 HydrophobicContact CD2-CB 4.31Å; L127-L157 HydrophobicContact CD2-CD2 4.37Å; L157-H161 HydrophobicContact CD1-CB 4.04Å; L157-F162 HydrophobicContact CD2-CD2 3.64Å; L157-F162 HydrophobicContact CD2-CE2 4.22Å; L157-F162 HydrophobicContact CD2-CG 4.47Å; L157-F162 HydrophobicContact CG-CD2 4.45Å; L157-R165 HydrophobicContact CD1-CG 3.68Å; L157-R165 HydrophobicContact CD2-CG 4.46Å; L157-L190 HydrophobicContact CD2-CD1 3.49Å; L157-L190 VanDerWaalsContact CD2-CD1 3.49Å
158S87.3Confident88.7Confident34 Ų3460.8 Ų60.824%0.23832%0.315CS..  trans-69139.1172.7-170.90000111.1E88 V160 H161 F162E88-S158 WeakPolarHBondContact OE1-CA 3.46Å; E88-S158 VanDerWaalsContact OE1-CB 3.24Å; E88-S158 WeakPolarHBondContact OE1-CB 3.21Å; E88-S158 PolarHBondContact OE1-OG 2.87Å; S158-V160 PolarHBondContact O-N 3.2Å; S158-V160 VanDerWaalsContact O-N 3.11Å; S158-H161 PolarHBondContact O-N 2.92Å; S158-F162 PolarHBondContact O-N 3.46Å
159P87.3Confident88.7Confident55 Ų5555.3 Ų55.336%0.35729%0.291SS..G310 helixtrans-54.5-30.8178.6-26.133000114F83 A85 E88 H161 F162F83-P159 HydrophobicContact CE1-CB 4.26Å; F83-P159 HydrophobicContact CE1-CG 4.21Å; F83-P159 HydrophobicContact CZ-CB 4.26Å; F83-P159 HydrophobicContact CZ-CG 3.96Å; A85-P159 HydrophobicContact CB-CG 3.91Å; E88-P159 WeakPolarHBondContact OE1-CD 3.03Å; P159-H161 PolarHBondContact O-N 3.1Å; P159-F162 VanDerWaalsContact O-CB 3.31Å; P159-F162 WeakPolarHBondContact O-CB 3.48Å; P159-F162 PolarHBondContact O-N 3.23Å
160V87.8Confident88.5Confident124 Ų12455.3 Ų55.375%0.75229%0.291SS*.G310 helixtrans-62.9-33179.4-177.60000111.9S158S158-V160 PolarHBondContact O-N 3.2Å; S158-V160 VanDerWaalsContact O-N 3.11Å
161H83.8Confident88.4Confident77 Ų7750.3 Ų50.336%0.35626%0.264SS..G310 helixtrans-95.12.8-179.7-63.6-65.9000112.5L157 S158 P159 D163 E164 R165L157-H161 HydrophobicContact CD1-CB 4.04Å; S158-H161 PolarHBondContact O-N 2.92Å; P159-H161 PolarHBondContact O-N 3.1Å; H161-D163 PolarHBondContact O-N 2.77Å; H161-E164 HydrophobicContact CB-CG 4.13Å; H161-E164 WeakPolarHBondContact CB-OE1 3.14Å; H161-E164 IonicContact CE1-OE1 2.76Å; H161-E164 IonicContact CG-OE1 3.81Å; H161-E164 IonicContact ND1-OE1 3.17Å; H161-E164 PolarHBondContact ND1-OE1 3.1Å; H161-E164 IonicContact ND1-OE2 3.74Å; H161-E164 WeakPolarHBondContact O-CG 3.25Å; H161-E164 PolarHBondContact O-N 3.11Å; H161-R165 WeakPolarHBondContact O-CG 3.49Å
162F85.4Confident88.1Confident13 Ų1349.6 Ų49.66%0.05726%0.26CS..SBendtrans-59.9-50.3-171-172.6-90.6000112.5F83 L90 L157 S158 P159 E164 R165 L190 Y193F83-F162 HydrophobicContact CB-CE2 3.76Å; F83-F162 HydrophobicContact CB-CZ 4.4Å; F83-F162 AromaticContact CD1-CD2 3.68Å; F83-F162 HydrophobicContact CD1-CD2 3.68Å; F83-F162 AromaticContact CD1-CE2 3.69Å; F83-F162 HydrophobicContact CD1-CE2 3.69Å; F83-F162 AromaticContact CD2-CD2 3.88Å; F83-F162 HydrophobicContact CD2-CD2 3.88Å; F83-F162 AromaticContact CD2-CE2 3.8Å; F83-F162 HydrophobicContact CD2-CE2 3.8Å; F83-F162 AromaticContact CE1-CD2 3.73Å; F83-F162 HydrophobicContact CE1-CD2 3.73Å; F83-F162 HydrophobicContact CE1-CE2 4.23Å; F83-F162 HydrophobicContact CE1-CG 4.39Å; F83-F162 AromaticContact CE2-CD2 3.94Å; F83-F162 HydrophobicContact CE2-CD2 3.94Å; F83-F162 HydrophobicContact CE2-CE2 4.34Å; F83-F162 AromaticContact CG-CD2 3.76Å; F83-F162 HydrophobicContact CG-CD2 3.76Å; F83-F162 AromaticContact CG-CE2 3.45Å; F83-F162 HydrophobicContact CG-CE2 3.45Å; F83-F162 VanDerWaalsContact CG-CE2 3.45Å; F83-F162 HydrophobicContact CG-CZ 4.42Å; F83-F162 AromaticContact CZ-CD2 3.87Å; F83-F162 HydrophobicContact CZ-CD2 3.87Å; L90-F162 HydrophobicContact CD1-CE2 4.15Å; L157-F162 HydrophobicContact CD2-CD2 3.64Å; L157-F162 HydrophobicContact CD2-CE2 4.22Å; L157-F162 HydrophobicContact CD2-CG 4.47Å; L157-F162 HydrophobicContact CG-CD2 4.45Å; S158-F162 PolarHBondContact O-N 3.46Å; P159-F162 VanDerWaalsContact O-CB 3.31Å; P159-F162 WeakPolarHBondContact O-CB 3.48Å; P159-F162 PolarHBondContact O-N 3.23Å; F162-E164 VanDerWaalsContact C-N 3.3Å; F162-E164 PolarHBondContact O-N 2.7Å; F162-R165 PolarHBondContact O-N 2.77Å; F162-L190 HydrophobicContact CD1-CB 4.23Å; F162-L190 HydrophobicContact CD2-CD1 4.15Å; F162-L190 HydrophobicContact CE1-CB 3.9Å; F162-L190 WeakPolarHBondContact CE1-O 3.4Å; F162-L190 HydrophobicContact CE2-CB 4.44Å; F162-L190 HydrophobicContact CE2-CD1 3.93Å; F162-L190 HydrophobicContact CZ-CB 4Å; F162-L190 HydrophobicContact CZ-CD1 4.27Å; F162-L190 VanDerWaalsContact O-CB 3.32Å; F162-L190 WeakPolarHBondContact O-CB 3.37Å; F162-Y193 AromaticContact CE1-CD1 3.86Å; F162-Y193 HydrophobicContact CE1-CD1 3.86Å; F162-Y193 HydrophobicContact CE1-CG 4.29Å; F162-Y193 HydrophobicContact CE2-CD1 4.45Å; F162-Y193 AromaticContact CZ-CD1 3.4Å; F162-Y193 HydrophobicContact CZ-CD1 3.4Å; F162-Y193 VanDerWaalsContact CZ-CD1 3.4Å; F162-Y193 HydrophobicContact CZ-CE1 4.15Å; F162-Y193 AromaticContact CZ-CG 3.83Å; F162-Y193 HydrophobicContact CZ-CG 3.83Å
163D81.7Confident87.8Confident113 Ų11347.8 Ų47.860%0.60425%0.246SC*.THydrogen-bonded Turntrans-71.4-20.1-173.8-67.8-29.8000114.4H161 N191H161-D163 PolarHBondContact O-N 2.77Å; D163-N191 HydrophobicContact CB-CB 4.24Å
164E81.1Confident87.3Confident118 Ų11848.2 Ų48.255%0.55125%0.249SC*.THydrogen-bonded Turntrans-88.1-5.5177.560.4168.8-148.800113.3H161 F162H161-E164 HydrophobicContact CB-CG 4.13Å; H161-E164 WeakPolarHBondContact CB-OE1 3.14Å; H161-E164 IonicContact CE1-OE1 2.76Å; H161-E164 IonicContact CG-OE1 3.81Å; H161-E164 IonicContact ND1-OE1 3.17Å; H161-E164 PolarHBondContact ND1-OE1 3.1Å; H161-E164 IonicContact ND1-OE2 3.74Å; H161-E164 WeakPolarHBondContact O-CG 3.25Å; H161-E164 PolarHBondContact O-N 3.11Å; F162-E164 VanDerWaalsContact C-N 3.3Å; F162-E164 PolarHBondContact O-N 2.7Å
165R80.5Confident86.4Confident51 Ų5144.9 Ų44.919%0.19223%0.228CC..  trans-93.1154.4-174.9-63.9-87.1-178.6-119.4-7.1111.3L127 S128 L157 H161 F162 L190L127-R165 HydrophobicContact CD1-CB 4.01Å; S128-R165 WeakPolarHBondContact O-CD 3.38Å; S128-R165 PolarHBondContact O-NE 3.07Å; S128-R165 PolarHBondContact O-NH1 3.41Å; L157-R165 HydrophobicContact CD1-CG 3.68Å; L157-R165 HydrophobicContact CD2-CG 4.46Å; H161-R165 WeakPolarHBondContact O-CG 3.49Å; F162-R165 PolarHBondContact O-N 2.77Å; R165-L190 HydrophobicContact CB-CB 4.49Å; R165-L190 HydrophobicContact CB-CD1 3.75Å; R165-L190 HydrophobicContact CB-CG 4.11Å; R165-L190 PolarHBondContact O-N 2.83Å
166C82.8Confident85.5Confident22 Ų2244.9 Ų44.915%0.14923%0.233CC..EExtended strand (participates in β ladder)trans-137.3132.5176.3-177.50000108.6S128 F130S128-C166 PolarHBondContact N-O 2.92Å; F130-C166 VanDerWaalsContact CE1-O 3.25Å; F130-C166 WeakPolarHBondContact CE1-O 3.11Å; F130-C166 HydrophobicContact CZ-CB 3.98Å; F130-C166 WeakPolarHBondContact CZ-O 3.41Å
167L88.9Confident84.7Confident1 Ų142.3 Ų42.31%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-85.4126.1173.4-173.575.7000108.6F79 I92 V125 Y126 I169 L187 Y188 L190F79-L167 HydrophobicContact CD2-CD2 4.1Å; F79-L167 HydrophobicContact CE2-CD2 3.65Å; F79-L167 HydrophobicContact CZ-CD2 4.43Å; I92-L167 HydrophobicContact CD1-CD1 3.97Å; I92-L167 HydrophobicContact CD1-CD2 3.82Å; I92-L167 HydrophobicContact CG1-CD1 3.89Å; I92-L167 HydrophobicContact CG1-CD2 4.32Å; I92-L167 HydrophobicContact CG2-CD2 4.15Å; V125-L167 HydrophobicContact CG1-CD1 3.58Å; V125-L167 HydrophobicContact CG1-CG 4.36Å; Y126-L167 WeakPolarHBondContact O-CA 3.24Å; L167-I169 HydrophobicContact CD2-CD1 4.01Å; L167-I169 HydrophobicContact CD2-CG1 4.21Å; L167-I169 HydrophobicContact CG-CG1 4.24Å; L167-L187 CarbonylContact O-C 3.55Å; L167-L187 WeakPolarHBondContact O-CA 3.37Å; L167-Y188 PolarHBondContact N-O 2.85Å; L167-Y188 PolarHBondContact O-N 2.98Å; L167-L190 HydrophobicContact CB-CD2 4.37Å
168K86.4Confident84.3Confident32 Ų3250.7 Ų50.714%0.13926%0.256CS..EExtended strand (participates in β ladder)trans-111.3123.6170.7-178.3-179.7-172.5-175.50108.7Y126 F130 V170 V186 L187 D210Y126-K168 PolarHBondContact N-O 2.74Å; Y126-K168 PolarHBondContact O-N 3.2Å; F130-K168 HydrophobicContact CD1-CB 4.02Å; F130-K168 HydrophobicContact CE1-CB 3.41Å; F130-K168 VanDerWaalsContact CE1-CB 3.41Å; F130-K168 HydrophobicContact CZ-CB 3.75Å; K168-V170 HydrophobicContact CD-CG2 3.99Å; K168-V170 HydrophobicContact CG-CG2 3.85Å; K168-V186 CarbonylContact C-O 3.58Å; K168-V186 VanDerWaalsContact CA-O 3.31Å; K168-V186 WeakPolarHBondContact CA-O 3.44Å; K168-L187 HydrophobicContact CB-CD2 3.65Å; K168-L187 HydrophobicContact CD-CD2 4.12Å; K168-L187 HydrophobicContact CG-CD2 3.67Å; K168-D210 IonicContact NZ-OD2 3.38Å; K168-D210 PolarHBondContact NZ-OD2 3.3Å
169I92.7Very high83.6Confident1 Ų155.9 Ų55.91%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-114.1120.8172.2-53.5174.1000108.1I77 F79 L123 R124 V125 L167 H185 V186I77-I169 HydrophobicContact CD1-CB 4.34Å; I77-I169 HydrophobicContact CD1-CD1 3.88Å; I77-I169 HydrophobicContact CD1-CG2 3.62Å; F79-I169 HydrophobicContact CB-CD1 4.45Å; F79-I169 HydrophobicContact CD1-CD1 3.98Å; F79-I169 HydrophobicContact CD2-CD1 4.1Å; F79-I169 HydrophobicContact CE1-CD1 4.22Å; F79-I169 HydrophobicContact CE2-CD1 4.29Å; F79-I169 HydrophobicContact CG-CD1 3.92Å; F79-I169 HydrophobicContact CZ-CD1 4.37Å; L123-I169 HydrophobicContact CB-CG2 4.22Å; L123-I169 HydrophobicContact CD1-CG2 4.3Å; R124-I169 CarbonylContact O-C 3.58Å; R124-I169 WeakPolarHBondContact O-CA 3.47Å; V125-I169 HydrophobicContact CG1-CG1 4.29Å; V125-I169 HydrophobicContact CG2-CG1 4.32Å; V125-I169 HydrophobicContact CG2-CG2 4.36Å; L167-I169 HydrophobicContact CD2-CD1 4.01Å; L167-I169 HydrophobicContact CD2-CG1 4.21Å; L167-I169 HydrophobicContact CG-CG1 4.24Å; I169-H185 CarbonylContact O-C 3.54Å; I169-H185 WeakPolarHBondContact O-CA 3.49Å; I169-V186 PolarHBondContact N-O 2.77Å; I169-V186 PolarHBondContact O-N 2.89Å
170V90.5Very high83.4Confident1 Ų156.9 Ų56.91%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-112.4127.2-179.1-170.90000109.4L123 R124 Y126 K168 Y172 P182 H185L123-V170 CarbonylContact C-O 3.51Å; L123-V170 VanDerWaalsContact CA-O 3.28Å; L123-V170 WeakPolarHBondContact CA-O 3.36Å; R124-V170 PolarHBondContact N-O 2.89Å; R124-V170 PolarHBondContact O-N 2.78Å; Y126-V170 HydrophobicContact CD2-CG2 4.25Å; Y126-V170 HydrophobicContact CE2-CB 4.4Å; Y126-V170 HydrophobicContact CE2-CG2 3.85Å; K168-V170 HydrophobicContact CD-CG2 3.99Å; K168-V170 HydrophobicContact CG-CG2 3.85Å; V170-Y172 HydrophobicContact CB-CD2 4.34Å; V170-Y172 HydrophobicContact CB-CE2 3.71Å; V170-Y172 HydrophobicContact CG1-CD2 4.08Å; V170-Y172 HydrophobicContact CG1-CE1 4.28Å; V170-Y172 HydrophobicContact CG1-CE2 3.52Å; V170-P182 HydrophobicContact CG1-CB 4.47Å; V170-H185 HydrophobicContact CG2-CB 3.98Å
171A93.1Very high83.1Confident0 Ų053 Ų530%025%0.248CC..EExtended strand (participates in β ladder)trans-87.5128.3170.900000110.5L100 L123 V183 G184 F207L100-A171 HydrophobicContact CD2-CB 4.36Å; L123-A171 VanDerWaalsContact CD2-CA 3.48Å; L123-A171 HydrophobicContact CD2-CB 3.52Å; A171-V183 HydrophobicContact CB-CB 4.16Å; A171-V183 WeakPolarHBondContact O-CB 3.31Å; A171-V183 PolarHBondContact O-N 3.38Å; A171-G184 PolarHBondContact N-O 2.85Å; A171-F207 HydrophobicContact CB-CD1 4.25Å; A171-F207 HydrophobicContact CB-CE1 3.73Å; A171-F207 HydrophobicContact CB-CE2 4.32Å; A171-F207 HydrophobicContact CB-CZ 3.77Å
172Y90.4Very high83.2Confident15 Ų1550.9 Ų50.96%0.05924%0.241CC..EExtended strand (participates in β ladder)trans-115.6143175.4-71.9-81.7000110.6F121 F122 R124 V170 I180 V181 P182F121-Y172 WeakPolarHBondContact CA-O 3.49Å; F122-Y172 HydrophobicContact CD2-CD2 4.33Å; F122-Y172 AromaticContact CE2-CD2 3.7Å; F122-Y172 HydrophobicContact CE2-CD2 3.7Å; F122-Y172 AromaticContact CE2-CG 3.91Å; F122-Y172 HydrophobicContact CE2-CG 3.91Å; F122-Y172 VanDerWaalsContact CZ-CB 3.44Å; F122-Y172 HydrophobicContact CZ-CD2 4.13Å; F122-Y172 AromaticContact CZ-CG 3.84Å; F122-Y172 HydrophobicContact CZ-CG 3.84Å; F122-Y172 PolarHBondContact N-O 3Å; F122-Y172 VanDerWaalsContact N-O 3.08Å; F122-Y172 PolarHBondContact O-N 2.9Å; R124-Y172 HydrophobicContact CB-CD2 4.43Å; R124-Y172 HydrophobicContact CB-CE2 4Å; R124-Y172 HydrophobicContact CG-CD2 4.1Å; R124-Y172 HydrophobicContact CG-CE2 3.88Å; V170-Y172 HydrophobicContact CB-CD2 4.34Å; V170-Y172 HydrophobicContact CB-CE2 3.71Å; V170-Y172 HydrophobicContact CG1-CD2 4.08Å; V170-Y172 HydrophobicContact CG1-CE1 4.28Å; V170-Y172 HydrophobicContact CG1-CE2 3.52Å; Y172-I180 HydrophobicContact CD1-CG2 3.28Å; Y172-I180 HydrophobicContact CE1-CG2 3.94Å; Y172-I180 HydrophobicContact CG-CG2 3.76Å; Y172-V181 CarbonylContact C-O 3.25Å; Y172-V181 WeakPolarHBondContact CA-O 3.44Å; Y172-P182 HydrophobicContact CD1-CB 4.16Å; Y172-P182 HydrophobicContact CE1-CB 3.89Å
173R87.7Confident83.2Confident35 Ų3551.2 Ų51.213%0.13224%0.244CC..EExtended strand (participates in β ladder)trans-108.3139.8169-176.7173.863-153.6-3.3109.6D120 F121 V181 V183D120-R173 CarbonylContact O-C 3.56Å; D120-R173 WeakPolarHBondContact O-CA 3.46Å; F121-R173 HydrophobicContact CD1-CB 3.84Å; F121-R173 HydrophobicContact CD1-CG 4.26Å; F121-R173 HydrophobicContact CE1-CB 3.66Å; F121-R173 HydrophobicContact CE1-CG 3.85Å; F121-R173 HydrophobicContact CZ-CG 4.22Å; R173-V181 PolarHBondContact N-O 2.8Å; R173-V181 PolarHBondContact O-N 2.88Å; R173-V183 HydrophobicContact CB-CG2 3.76Å
174I84.1Confident83.4Confident35 Ų3545.8 Ų45.818%0.17922%0.215CC..EExtended strand (participates in β ladder)trans-93.4113.3167.1-55.5180000107.5S118 D120 F122 T140 K178 R179S118-I174 VanDerWaalsContact O-O 3.1Å; D120-I174 HydrophobicContact CB-CB 4.17Å; D120-I174 PolarHBondContact O-N 3.4Å; F122-I174 HydrophobicContact CD1-CD1 4.23Å; F122-I174 HydrophobicContact CD1-CG1 4.14Å; F122-I174 HydrophobicContact CE1-CD1 4.2Å; F122-I174 HydrophobicContact CE1-CG1 3.88Å; T140-I174 HydrophobicContact CG2-CD1 3.79Å; I174-K178 HydrophobicContact CG2-CB 4.43Å; I174-R179 WeakPolarHBondContact CA-O 3.39Å
175D76Confident83.8Confident6 Ų641 Ų413%0.03219%0.193CC..  trans-76.1174.1-179.9790.8000112.8F177 K178 R179 V181D175-F177 PolarHBondContact O-N 3.38Å; D175-F177 VanDerWaalsContact OD1-C 3.29Å; D175-F177 VanDerWaalsContact OD1-CA 3.3Å; D175-F177 WeakPolarHBondContact OD1-CA 3.3Å; D175-F177 WeakPolarHBondContact OD1-CB 3.39Å; D175-F177 PolarHBondContact OD1-N 2.81Å; D175-K178 WeakPolarHBondContact O-CA 3.2Å; D175-K178 PolarHBondContact O-N 3.45Å; D175-K178 PolarHBondContact OD1-N 2.99Å; D175-K178 VanDerWaalsContact OD1-N 3.13Å; D175-R179 PolarHBondContact N-O 2.9Å; D175-R179 WeakPolarHBondContact OD1-CB 3.07Å; D175-R179 PolarHBondContact OD1-N 3.5Å; D175-R179 IonicContact OD1-NE 3.75Å; D175-R179 IonicContact OD2-CZ 3.23Å; D175-R179 IonicContact OD2-NE 2.71Å; D175-R179 PolarHBondContact OD2-NE 2.85Å; D175-R179 IonicContact OD2-NH2 3.41Å; D175-R179 PolarHBondContact OD2-NH2 2.83Å; D175-V181 HydrophobicContact CB-CG2 4.47Å
176A72Confident84.2Confident27 Ų2738.8 Ų38.822%0.22319%0.185CC..THydrogen-bonded Turntrans-53.1-24.2176.100000114.9R116 D117 K178R116-A176 HydrophobicContact CB-CB 3.99Å; D117-A176 PolarHBondContact OD1-N 2.8Å; A176-K178 VanDerWaalsContact C-N 3.35Å
177F73.3Confident84.4Confident123 Ų12341.3 Ų41.354%0.53920%0.197SC..THydrogen-bonded Turntrans-94.811.7177.6-59.1-77.1000112.8D175 R179D175-F177 PolarHBondContact O-N 3.38Å; D175-F177 VanDerWaalsContact OD1-C 3.29Å; D175-F177 VanDerWaalsContact OD1-CA 3.3Å; D175-F177 WeakPolarHBondContact OD1-CA 3.3Å; D175-F177 WeakPolarHBondContact OD1-CB 3.39Å; D175-F177 PolarHBondContact OD1-N 2.81Å; F177-R179 HydrophobicContact CB-CG 4.13Å; F177-R179 PolarHBondContact O-N 2.84Å
178K77.3Confident84.2Confident182 Ų18241.7 Ų41.779%0.79120%0.198SC*.SBendtrans60.922.8-174.9-56.8-173.9177-178.90114.3I174 D175 A176I174-K178 HydrophobicContact CG2-CB 4.43Å; D175-K178 WeakPolarHBondContact O-CA 3.2Å; D175-K178 PolarHBondContact O-N 3.45Å; D175-K178 PolarHBondContact OD1-N 2.99Å; D175-K178 VanDerWaalsContact OD1-N 3.13Å; A176-K178 VanDerWaalsContact C-N 3.35Å
179R73.8Confident84.2Confident142 Ų14242 Ų4254%0.53620%0.204SC..  trans-84.8142.1174.6-56.4177.8-62.4179.63.3109.6I174 D175 F177I174-R179 WeakPolarHBondContact CA-O 3.39Å; D175-R179 PolarHBondContact N-O 2.9Å; D175-R179 WeakPolarHBondContact OD1-CB 3.07Å; D175-R179 PolarHBondContact OD1-N 3.5Å; D175-R179 IonicContact OD1-NE 3.75Å; D175-R179 IonicContact OD2-CZ 3.23Å; D175-R179 IonicContact OD2-NE 2.71Å; D175-R179 PolarHBondContact OD2-NE 2.85Å; D175-R179 IonicContact OD2-NH2 3.41Å; D175-R179 PolarHBondContact OD2-NH2 2.83Å; F177-R179 HydrophobicContact CB-CG 4.13Å; F177-R179 PolarHBondContact O-N 2.84Å
180I81.5Confident83.9Confident76 Ų7642 Ų4239%0.3920%0.203SC..EExtended strand (participates in β ladder)trans-88.7114.2178.3-65.8170.4000107.9F122 Y172F122-I180 HydrophobicContact CE1-CD1 4.4Å; F122-I180 HydrophobicContact CE1-CG1 4.16Å; F122-I180 HydrophobicContact CE1-CG2 4.15Å; F122-I180 HydrophobicContact CZ-CD1 4Å; F122-I180 HydrophobicContact CZ-CG1 4.1Å; F122-I180 HydrophobicContact CZ-CG2 3.63Å; Y172-I180 HydrophobicContact CD1-CG2 3.28Å; Y172-I180 HydrophobicContact CE1-CG2 3.94Å; Y172-I180 HydrophobicContact CG-CG2 3.76Å
181V82.2Confident83.5Confident43 Ų4346.6 Ų46.626%0.26123%0.228SC..EExtended strand (participates in β ladder)trans-116.3124.9-177-176.60000109.3Y172 R173 D175Y172-V181 CarbonylContact C-O 3.25Å; Y172-V181 WeakPolarHBondContact CA-O 3.44Å; R173-V181 PolarHBondContact N-O 2.8Å; R173-V181 PolarHBondContact O-N 2.88Å; D175-V181 HydrophobicContact CB-CG2 4.47Å
182P85.2Confident82.8Confident32 Ų3250.8 Ų50.821%0.20825%0.247CC..EExtended strand (participates in β ladder)trans-66.2136.6174.328.1-33.2000110.2V170 Y172V170-P182 HydrophobicContact CG1-CB 4.47Å; Y172-P182 HydrophobicContact CD1-CB 4.16Å; Y172-P182 HydrophobicContact CE1-CB 3.89Å
183V86.3Confident82.3Confident20 Ų2050.6 Ų50.612%0.12125%0.247CC..EExtended strand (participates in β ladder)trans-97.2-45178.3-178.70000109.8I74 L100 P101 F121 A171 R173I74-V183 HydrophobicContact CG2-CG1 3.9Å; I74-V183 WeakPolarHBondContact CG2-O 3.2Å; L100-V183 HydrophobicContact CD2-CG1 4.2Å; P101-V183 HydrophobicContact CG-CG1 3.55Å; F121-V183 HydrophobicContact CD1-CG2 4.08Å; F121-V183 HydrophobicContact CE1-CG2 3.84Å; A171-V183 HydrophobicContact CB-CB 4.16Å; A171-V183 WeakPolarHBondContact O-CB 3.31Å; A171-V183 PolarHBondContact O-N 3.38Å; R173-V183 HydrophobicContact CB-CG2 3.76Å
184G86.4Confident81.3Confident0 Ų053.1 Ų53.10%027%0.266CS..EExtended strand (participates in β ladder)trans177172.8-179.600000110.4A171 Q208A171-G184 PolarHBondContact N-O 2.85Å; G184-Q208 CarbonylContact C-O 3.53Å; G184-Q208 WeakPolarHBondContact CA-O 3.06Å
185H88.6Confident80.2Confident17 Ų1756.1 Ų56.18%0.07928%0.282CS..EExtended strand (participates in β ladder)trans-134.8160179.771.3-85.8000111.9I169 V170 Q208 D210I169-H185 CarbonylContact O-C 3.54Å; I169-H185 WeakPolarHBondContact O-CA 3.49Å; V170-H185 HydrophobicContact CG2-CB 3.98Å; H185-Q208 PolarHBondContact N-O 3.19Å; H185-Q208 PolarHBondContact O-N 3.13Å; H185-D210 IonicContact CE1-OD1 3.84Å; H185-D210 IonicContact CG-OD2 2.7Å; H185-D210 VanDerWaalsContact ND1-CA 3.33Å; H185-D210 WeakPolarHBondContact ND1-CA 3.42Å; H185-D210 VanDerWaalsContact ND1-CB 3.32Å; H185-D210 WeakPolarHBondContact ND1-CB 3.22Å; H185-D210 VanDerWaalsContact ND1-CG 3.33Å; H185-D210 PolarHBondContact ND1-N 2.86Å; H185-D210 IonicContact ND1-OD1 3.96Å; H185-D210 IonicContact ND1-OD2 3.96Å; H185-D210 PolarHBondContact ND1-OD2 2.79Å
186V88.9Confident79.1Confident4 Ų464.6 Ų64.62%0.02432%0.319CS..EExtended strand (participates in β ladder)trans-121.9135.4169168.20000107.7I77 K168 I169 R205 F207I77-V186 HydrophobicContact CG2-CB 4.43Å; I77-V186 HydrophobicContact CG2-CG2 3.77Å; K168-V186 CarbonylContact C-O 3.58Å; K168-V186 VanDerWaalsContact CA-O 3.31Å; K168-V186 WeakPolarHBondContact CA-O 3.44Å; I169-V186 PolarHBondContact N-O 2.77Å; I169-V186 PolarHBondContact O-N 2.89Å; V186-R205 HydrophobicContact CB-CB 4.32Å; V186-R205 HydrophobicContact CG1-CB 3.46Å; V186-R205 VanDerWaalsContact CG1-CB 3.46Å; V186-R205 HydrophobicContact CG1-CG 3.68Å; V186-R205 HydrophobicContact CG2-CB 3.83Å; V186-F207 HydrophobicContact CG2-CD1 3.81Å; V186-F207 HydrophobicContact CG2-CE1 4.1Å; V186-F207 HydrophobicContact CG2-CG 4.23Å
187L86.3Confident78.2Confident76 Ų7673 Ų7340%0.39835%0.35SS..EExtended strand (participates in β ladder)trans-107.3134.6167.3-62.4177000108.8F130 L167 K168F130-L187 HydrophobicContact CE2-CD2 4.5Å; F130-L187 HydrophobicContact CZ-CD2 4.2Å; L167-L187 CarbonylContact O-C 3.55Å; L167-L187 WeakPolarHBondContact O-CA 3.37Å; K168-L187 HydrophobicContact CB-CD2 3.65Å; K168-L187 HydrophobicContact CD-CD2 4.12Å; K168-L187 HydrophobicContact CG-CD2 3.67Å
188Y86.4Confident77.5Confident8 Ų874.8 Ų74.83%0.03136%0.357CS..EExtended strand (participates in β ladder)trans-132.199173.4-175.1-90000109.2F79 I81 L167 L190 E192 Y193 L201 V203F79-Y188 HydrophobicContact CE2-CG 4.44Å; F79-Y188 HydrophobicContact CZ-CD2 4.26Å; F79-Y188 HydrophobicContact CZ-CG 4.16Å; I81-Y188 HydrophobicContact CD1-CD1 3.41Å; I81-Y188 VanDerWaalsContact CD1-CD1 3.41Å; I81-Y188 HydrophobicContact CD1-CE1 3.22Å; I81-Y188 HydrophobicContact CD1-CG 4.25Å; L167-Y188 PolarHBondContact N-O 2.85Å; L167-Y188 PolarHBondContact O-N 2.98Å; Y188-L190 HydrophobicContact CD1-CD2 4.09Å; Y188-L190 HydrophobicContact CE1-CD2 4.36Å; Y188-L190 PolarHBondContact O-N 2.87Å; Y188-E192 HydrophobicContact CE2-CB 4.31Å; Y188-Y193 PolarHBondContact OH-N 3.25Å; Y188-L201 VanDerWaalsContact OH-CD2 3.23Å; Y188-L201 WeakPolarHBondContact OH-CD2 3.1Å; Y188-V203 HydrophobicContact CD2-CG1 3.91Å; Y188-V203 HydrophobicContact CE2-CG1 3.81Å; Y188-V203 HydrophobicContact CE2-CG2 4.03Å
189P85.7Confident77Confident40 Ų4073.7 Ų73.726%0.2635%0.353SS..EExtended strand (participates in β ladder)trans-59.4128.1172.1-2335.2000110.4N191 E192P189-N191 WeakPolarHBondContact CB-OD1 2.8Å; P189-N191 PolarHBondContact O-N 2.74Å; P189-E192 HydrophobicContact CB-CG 4.38Å; P189-E192 WeakPolarHBondContact O-CB 3.32Å; P189-E192 PolarHBondContact O-N 3.06Å; P189-E192 VanDerWaalsContact O-N 3.12Å
190L86.2Confident76.9Confident0 Ų070.7 Ų70.70%035%0.345CS..G310 helixtrans-70.4-19.9-176.8-66.1-165.7000112.6L90 L127 L157 F162 R165 L167 Y188 E192 Y193L90-L190 HydrophobicContact CD1-CD1 4.48Å; L90-L190 HydrophobicContact CD2-CD1 3.7Å; L90-L190 HydrophobicContact CD2-CD2 4.39Å; L127-L190 HydrophobicContact CD1-CD1 4Å; L157-L190 HydrophobicContact CD2-CD1 3.49Å; L157-L190 VanDerWaalsContact CD2-CD1 3.49Å; F162-L190 HydrophobicContact CD1-CB 4.23Å; F162-L190 HydrophobicContact CD2-CD1 4.15Å; F162-L190 HydrophobicContact CE1-CB 3.9Å; F162-L190 WeakPolarHBondContact CE1-O 3.4Å; F162-L190 HydrophobicContact CE2-CB 4.44Å; F162-L190 HydrophobicContact CE2-CD1 3.93Å; F162-L190 HydrophobicContact CZ-CB 4Å; F162-L190 HydrophobicContact CZ-CD1 4.27Å; F162-L190 VanDerWaalsContact O-CB 3.32Å; F162-L190 WeakPolarHBondContact O-CB 3.37Å; R165-L190 HydrophobicContact CB-CB 4.49Å; R165-L190 HydrophobicContact CB-CD1 3.75Å; R165-L190 HydrophobicContact CB-CG 4.11Å; R165-L190 PolarHBondContact O-N 2.83Å; L167-L190 HydrophobicContact CB-CD2 4.37Å; Y188-L190 HydrophobicContact CD1-CD2 4.09Å; Y188-L190 HydrophobicContact CE1-CD2 4.36Å; Y188-L190 PolarHBondContact O-N 2.87Å; L190-E192 PolarHBondContact O-N 3.01Å; L190-Y193 WeakPolarHBondContact O-CA 3.46Å; L190-Y193 WeakPolarHBondContact O-CB 3.25Å; L190-Y193 PolarHBondContact O-N 3.44Å
191N81.6Confident77.1Confident97 Ų9769.8 Ų69.852%0.51934%0.34SS..G310 helixtrans-63.5-17.1171.164.97.7000113.9D163 P189 Y193D163-N191 HydrophobicContact CB-CB 4.24Å; P189-N191 WeakPolarHBondContact CB-OD1 2.8Å; P189-N191 PolarHBondContact O-N 2.74Å; N191-Y193 VanDerWaalsContact C-N 3.25Å
192E79.5Confident77.3Confident88 Ų8873.6 Ų73.641%0.41136%0.355SS..G310 helixtrans-75.6-17.4170.9-65.7-177.3-166.800111.8Y188 P189 L190 T194 R205Y188-E192 HydrophobicContact CE2-CB 4.31Å; P189-E192 HydrophobicContact CB-CG 4.38Å; P189-E192 WeakPolarHBondContact O-CB 3.32Å; P189-E192 PolarHBondContact O-N 3.06Å; P189-E192 VanDerWaalsContact O-N 3.12Å; L190-E192 PolarHBondContact O-N 3.01Å; E192-T194 PolarHBondContact O-N 2.91Å; E192-R205 IonicContact OE2-NH2 3.81Å; E192-R205 PolarHBondContact OE2-NH2 3.3Å
193Y78.3Confident77.5Confident12 Ų1272.6 Ų72.65%0.04735%0.349CS..  trans-71.797.2179-175.7-99000110.2I81 F83 F162 Y188 L190 N191 L195 K199 L201I81-Y193 HydrophobicContact CB-CD2 3.98Å; I81-Y193 HydrophobicContact CB-CE2 3.76Å; I81-Y193 HydrophobicContact CD1-CD2 4.4Å; I81-Y193 HydrophobicContact CG2-CD2 3.85Å; I81-Y193 HydrophobicContact CG2-CE2 3.72Å; I81-Y193 WeakPolarHBondContact O-CE2 3.44Å; I81-Y193 PolarHBondContact O-OH 2.68Å; F83-Y193 HydrophobicContact CB-CE1 4.19Å; F162-Y193 AromaticContact CE1-CD1 3.86Å; F162-Y193 HydrophobicContact CE1-CD1 3.86Å; F162-Y193 HydrophobicContact CE1-CG 4.29Å; F162-Y193 HydrophobicContact CE2-CD1 4.45Å; F162-Y193 AromaticContact CZ-CD1 3.4Å; F162-Y193 HydrophobicContact CZ-CD1 3.4Å; F162-Y193 VanDerWaalsContact CZ-CD1 3.4Å; F162-Y193 HydrophobicContact CZ-CE1 4.15Å; F162-Y193 AromaticContact CZ-CG 3.83Å; F162-Y193 HydrophobicContact CZ-CG 3.83Å; Y188-Y193 PolarHBondContact OH-N 3.25Å; L190-Y193 WeakPolarHBondContact O-CA 3.46Å; L190-Y193 WeakPolarHBondContact O-CB 3.25Å; L190-Y193 PolarHBondContact O-N 3.44Å; N191-Y193 VanDerWaalsContact C-N 3.25Å; Y193-L195 HydrophobicContact CD1-CD1 4.01Å; Y193-L195 HydrophobicContact CD1-CG 4.24Å; Y193-L195 HydrophobicContact CE1-CD1 3.71Å; Y193-L195 HydrophobicContact CE1-CG 3.63Å; Y193-L195 PolarHBondContact O-N 2.89Å; Y193-K199 PolarHBondContact OH-O 3.43Å; Y193-L201 HydrophobicContact CD2-CB 3.88Å; Y193-L201 HydrophobicContact CD2-CD2 3.54Å; Y193-L201 HydrophobicContact CD2-CG 4.37Å; Y193-L201 HydrophobicContact CE2-CB 3.46Å; Y193-L201 VanDerWaalsContact CE2-CB 3.46Å; Y193-L201 HydrophobicContact CE2-CD2 4.05Å; Y193-L201 HydrophobicContact CE2-CG 4.42Å; Y193-L201 HydrophobicContact CG-CD2 4.45Å
194T66.9Low77.6Confident88 Ų8878.3 Ų78.354%0.5437%0.368SS..  trans-94.2102.1178.6-58.40000110.2E192 K196E192-T194 PolarHBondContact O-N 2.91Å; T194-K196 HydrophobicContact CG2-CB 3.77Å; T194-K196 HydrophobicContact CG2-CD 3.68Å; T194-K196 HydrophobicContact CG2-CG 3.54Å; T194-K196 PolarHBondContact O-N 3.22Å
195L61.2Low77.6Confident97 Ų9782.8 Ų82.851%0.50839%0.385SS..  trans-55.8-8.4176.5-97.3124.2000115.7Y193 K197Y193-L195 HydrophobicContact CD1-CD1 4.01Å; Y193-L195 HydrophobicContact CD1-CG 4.24Å; Y193-L195 HydrophobicContact CE1-CD1 3.71Å; Y193-L195 HydrophobicContact CE1-CG 3.63Å; Y193-L195 PolarHBondContact O-N 2.89Å; L195-K197 PolarHBondContact O-N 3.44Å
196K53.7Low77.6Confident185 Ų18584.7 Ų84.780%0.80440%0.396SS*.SBendtrans-63.5-6.7-157.3-70.2-178.3177.4177.10116.7T194T194-K196 HydrophobicContact CG2-CB 3.77Å; T194-K196 HydrophobicContact CG2-CD 3.68Å; T194-K196 HydrophobicContact CG2-CG 3.54Å; T194-K196 PolarHBondContact O-N 3.22Å
197K53.1Low77.6Confident203 Ų20384.9 Ų84.988%0.88340%0.396SS*.SBendtrans-144-14.4177.1-69-171.2179.1176.60117L195L195-K197 PolarHBondContact O-N 3.44Å
198K58Low77.4Confident160 Ų16087.1 Ų87.170%0.69641%0.405SS*.  trans-146.3143.7-176.1-65.9-174.7178.7-179.70110.9H200K198-H200 VanDerWaalsContact CB-O 3.22Å; K198-H200 WeakPolarHBondContact CB-O 2.94Å; K198-H200 PolarHBondContact O-N 3.17Å
199K66.6Low76.9Confident160 Ų16093.7 Ų93.770%0.69643%0.434SS*.SBendtrans-64.8-22.8169.8-70.8-168.9176.3-169.20112.5Y193Y193-K199 PolarHBondContact OH-O 3.43Å
200H73.4Confident75.6Confident79 Ų7992.4 Ų92.437%0.36642%0.424SS..EExtended strand (participates in β ladder)trans-126.5131-175.8-3994.9000109.1E82 W93 K198E82-H200 VanDerWaalsContact CD-CD2 3.4Å; E82-H200 IonicContact OE1-CD2 3.37Å; E82-H200 IonicContact OE1-NE2 3.56Å; E82-H200 PolarHBondContact OE1-NE2 3.34Å; E82-H200 IonicContact OE2-CD2 3.55Å; E82-H200 PolarHBondContact OE2-CD2 3.47Å; E82-H200 IonicContact OE2-NE2 2.86Å; W93-H200 AromaticContact CZ3-CD2 3.73Å; K198-H200 VanDerWaalsContact CB-O 3.22Å; K198-H200 WeakPolarHBondContact CB-O 2.94Å; K198-H200 PolarHBondContact O-N 3.17Å
201L84.2Confident73.9Confident56 Ų56100.3 Ų100.329%0.29346%0.461SS..EExtended strand (participates in β ladder)trans-112.8115.2175.5-176.369.7000109.7E80 I81 Y188 Y193 V203E80-L201 CarbonylContact C-O 3.55Å; E80-L201 VanDerWaalsContact CA-O 3.22Å; E80-L201 WeakPolarHBondContact CA-O 3.41Å; I81-L201 PolarHBondContact N-O 3.47Å; I81-L201 PolarHBondContact O-N 2.98Å; Y188-L201 VanDerWaalsContact OH-CD2 3.23Å; Y188-L201 WeakPolarHBondContact OH-CD2 3.1Å; Y193-L201 HydrophobicContact CD2-CB 3.88Å; Y193-L201 HydrophobicContact CD2-CD2 3.54Å; Y193-L201 HydrophobicContact CD2-CG 4.37Å; Y193-L201 HydrophobicContact CE2-CB 3.46Å; Y193-L201 VanDerWaalsContact CE2-CB 3.46Å; Y193-L201 HydrophobicContact CE2-CD2 4.05Å; Y193-L201 HydrophobicContact CE2-CG 4.42Å; Y193-L201 HydrophobicContact CG-CD2 4.45Å; L201-V203 HydrophobicContact CD2-CG2 3.72Å; L201-V203 HydrophobicContact CG-CG2 3.75Å
202E87.6Confident72Confident124 Ų124101.5 Ų101.558%0.57947%0.472SS*.EExtended strand (participates in β ladder)trans-81.2126.3169.5-171-179.1-177.400109.6E80E80-E202 HydrophobicContact CG-CB 4.28Å; E80-E202 HydrophobicContact CG-CG 4.27Å
203V88.2Confident70.2Confident11 Ų11101.4 Ų101.47%0.06747%0.472CS..EExtended strand (participates in β ladder)trans-127.3137.8-176.6-176.80000109.3W78 F79 I81 Y188 L201 R205W78-V203 WeakPolarHBondContact CA-O 3.39Å; F79-V203 HydrophobicContact CD1-CB 4.48Å; F79-V203 HydrophobicContact CD2-CB 4.48Å; F79-V203 HydrophobicContact CE1-CB 4.05Å; F79-V203 HydrophobicContact CE1-CG1 3.83Å; F79-V203 HydrophobicContact CE2-CB 4.09Å; F79-V203 HydrophobicContact CE2-CG1 4.31Å; F79-V203 HydrophobicContact CZ-CB 3.84Å; F79-V203 HydrophobicContact CZ-CG1 3.61Å; F79-V203 PolarHBondContact N-O 3.46Å; F79-V203 PolarHBondContact O-N 2.95Å; I81-V203 HydrophobicContact CD1-CG2 4.36Å; Y188-V203 HydrophobicContact CD2-CG1 3.91Å; Y188-V203 HydrophobicContact CE2-CG1 3.81Å; Y188-V203 HydrophobicContact CE2-CG2 4.03Å; L201-V203 HydrophobicContact CD2-CG2 3.72Å; L201-V203 HydrophobicContact CG-CG2 3.75Å; V203-R205 HydrophobicContact CG1-CG 4.14Å
204W89.3Confident68.1Low140 Ų140104.1 Ų104.153%0.5349%0.492SS..EExtended strand (participates in β ladder)trans-121.9143.6165.960-94.8000110.8I77 W78I77-W204 WeakPolarHBondContact O-CA 3.21Å; W78-W204 HydrophobicContact CD2-CB 4.49Å; W78-W204 HydrophobicContact CG-CB 4.2Å
205R87.1Confident66.7Low93 Ų93107.9 Ų107.935%0.35150%0.504SS..EExtended strand (participates in β ladder)trans-146145.3178.8-70.8-66.8-172-134.36.5110.3R76 I77 F79 V186 E192 V203R76-R205 WeakPolarHBondContact CA-O 3.46Å; I77-R205 HydrophobicContact CG2-CB 4.37Å; I77-R205 WeakPolarHBondContact CG2-O 3.48Å; I77-R205 PolarHBondContact N-O 3.11Å; I77-R205 PolarHBondContact O-N 3.01Å; F79-R205 HydrophobicContact CE1-CG 4.33Å; V186-R205 HydrophobicContact CB-CB 4.32Å; V186-R205 HydrophobicContact CG1-CB 3.46Å; V186-R205 VanDerWaalsContact CG1-CB 3.46Å; V186-R205 HydrophobicContact CG1-CG 3.68Å; V186-R205 HydrophobicContact CG2-CB 3.83Å; E192-R205 IonicContact OE2-NH2 3.81Å; E192-R205 PolarHBondContact OE2-NH2 3.3Å; V203-R205 HydrophobicContact CG1-CG 4.14Å
206D88.7Confident65.9Low58 Ų58106.1 Ų106.131%0.3150%0.499SS..EExtended strand (participates in β ladder)trans-82.9137.2169.9-69.7-28.3000109.8H73 G75 R76H73-D206 IonicContact CD2-OD1 3.13Å; H73-D206 IonicContact CD2-OD2 2.79Å; H73-D206 IonicContact CE1-OD1 3.74Å; H73-D206 VanDerWaalsContact NE2-CG 3.25Å; H73-D206 IonicContact NE2-OD1 3.94Å; H73-D206 PolarHBondContact NE2-OD1 3.39Å; H73-D206 IonicContact NE2-OD2 3.75Å; G75-D206 WeakPolarHBondContact O-CA 3.25Å; R76-D206 WeakPolarHBondContact CB-OD1 3.31Å; R76-D206 WeakPolarHBondContact CG-OD1 3.33Å; R76-D206 IonicContact CZ-OD1 3.89Å; R76-D206 IonicContact CZ-OD2 3.16Å; R76-D206 IonicContact NE-OD1 2.89Å; R76-D206 PolarHBondContact NE-OD1 3.5Å; R76-D206 IonicContact NE-OD2 2.71Å; R76-D206 IonicContact NH2-OD1 3.44Å; R76-D206 PolarHBondContact NH2-OD1 2.99Å; R76-D206 IonicContact NH2-OD2 3.75Å; R76-D206 PolarHBondContact NH2-OD2 3.4Å; R76-D206 VanDerWaalsContact NH2-OD2 3.13Å
207F88.2Confident65.7Low7 Ų7100.1 Ų100.13%0.03148%0.476CS..PPolyproline II helixtrans-64.8136.9174.6-76.2-76.7000110.4I74 G75 I77 V97 L100 L123 A171 V186I74-F207 HydrophobicContact CB-CB 4.21Å; I74-F207 HydrophobicContact CG2-CB 4.1Å; G75-F207 WeakPolarHBondContact O-CD2 3.32Å; G75-F207 PolarHBondContact O-N 3.11Å; I77-F207 HydrophobicContact CB-CE2 3.81Å; I77-F207 HydrophobicContact CB-CZ 3.83Å; I77-F207 HydrophobicContact CD1-CZ 4.13Å; I77-F207 HydrophobicContact CG2-CE2 4.25Å; I77-F207 HydrophobicContact CG2-CZ 4.12Å; V97-F207 HydrophobicContact CG1-CE2 3.72Å; V97-F207 HydrophobicContact CG2-CE2 4.06Å; V97-F207 HydrophobicContact CG2-CZ 4.26Å; L100-F207 HydrophobicContact CD2-CD2 4.4Å; L100-F207 HydrophobicContact CD2-CE2 4.38Å; L123-F207 HydrophobicContact CD2-CZ 4.17Å; A171-F207 HydrophobicContact CB-CD1 4.25Å; A171-F207 HydrophobicContact CB-CE1 3.73Å; A171-F207 HydrophobicContact CB-CE2 4.32Å; A171-F207 HydrophobicContact CB-CZ 3.77Å; V186-F207 HydrophobicContact CG2-CD1 3.81Å; V186-F207 HydrophobicContact CG2-CE1 4.1Å; V186-F207 HydrophobicContact CG2-CG 4.23Å
208Q81.9Confident66.1Low124 Ų12493.2 Ų93.258%0.57945%0.453SS*.BIsolated β-bridgetrans-102146.9171.2-59179.718.300108.6G184 H185 D210G184-Q208 CarbonylContact C-O 3.53Å; G184-Q208 WeakPolarHBondContact CA-O 3.06Å; H185-Q208 PolarHBondContact N-O 3.19Å; H185-Q208 PolarHBondContact O-N 3.13Å; Q208-D210 PolarHBondContact O-N 3.3Å
209K74.9Confident67.1Low146 Ų14686.1 Ų86.164%0.63542%0.424SS*.PPolyproline II helixtrans-65.7131.9171.6-90.9167.7-174.4-1760108.3I74 E211I74-K209 HydrophobicContact CD1-CB 4.24Å; I74-K209 HydrophobicContact CD1-CD 4.12Å; I74-K209 HydrophobicContact CD1-CG 3.61Å; I74-K209 HydrophobicContact CG1-CG 4.3Å; K209-E211 VanDerWaalsContact C-N 3.35Å; K209-E211 PolarHBondContact O-N 2.9Å
210D59.8Low68.2Low12 Ų1280.5 Ų80.56%0.06440%0.4CS..  trans-72.196.1170.3-147.6-29.2000107.7K168 H185 Q208 T212 E213K168-D210 IonicContact NZ-OD2 3.38Å; K168-D210 PolarHBondContact NZ-OD2 3.3Å; H185-D210 IonicContact CE1-OD1 3.84Å; H185-D210 IonicContact CG-OD2 2.7Å; H185-D210 VanDerWaalsContact ND1-CA 3.33Å; H185-D210 WeakPolarHBondContact ND1-CA 3.42Å; H185-D210 VanDerWaalsContact ND1-CB 3.32Å; H185-D210 WeakPolarHBondContact ND1-CB 3.22Å; H185-D210 VanDerWaalsContact ND1-CG 3.33Å; H185-D210 PolarHBondContact ND1-N 2.86Å; H185-D210 IonicContact ND1-OD1 3.96Å; H185-D210 IonicContact ND1-OD2 3.96Å; H185-D210 PolarHBondContact ND1-OD2 2.79Å; Q208-D210 PolarHBondContact O-N 3.3Å; D210-T212 PolarHBondContact O-N 3.12Å; D210-T212 VanDerWaalsContact O-N 3.15Å; D210-T212 WeakPolarHBondContact OD1-CB 3.46Å; D210-T212 PolarHBondContact OD1-N 3.18Å; D210-T212 PolarHBondContact OD1-OG1 3.39Å; D210-E213 HydrophobicContact CB-CB 4.48Å
211E48.9Very low69.1Low167 Ų16776.7 Ų76.778%0.7838%0.382SS*.THydrogen-bonded Turntrans-62.9-13.1172.8-64.1-170.5160.600111.2K209K209-E211 VanDerWaalsContact C-N 3.35Å; K209-E211 PolarHBondContact O-N 2.9Å
212T43.3Very low69.7Low121 Ų12175.8 Ų75.874%0.74238%0.376SS*.THydrogen-bonded Turntrans-98.5-15.9-172.5-2.10000115D210D210-T212 PolarHBondContact O-N 3.12Å; D210-T212 VanDerWaalsContact O-N 3.15Å; D210-T212 WeakPolarHBondContact OD1-CB 3.46Å; D210-T212 PolarHBondContact OD1-N 3.18Å; D210-T212 PolarHBondContact OD1-OG1 3.39Å
213E40.4Very low70.1Confident87 Ų8769.9 Ų69.941%0.40735%0.349SS..  trans-127.123.6-176.3-84.1-173.8-163.400113.9D210 Q215D210-E213 HydrophobicContact CB-CB 4.48Å; E213-Q215 VanDerWaalsContact C-N 3.31Å; E213-Q215 PolarHBondContact O-N 3.44Å
214S35.7Very low70.5Confident68 Ų6870.1 Ų70.148%0.47635%0.351SS..  trans-63.2100159.9-60.90000107.8S216 L217S214-S216 PolarHBondContact O-N 3.32Å; S214-L217 PolarHBondContact O-N 3.24Å
215Q36.4Very low70.9Confident168 Ų16863.4 Ų63.479%0.78533%0.326SS*.THydrogen-bonded Turntrans-57.370.5166.7-68.9173.8-11.700109.8E213E213-Q215 VanDerWaalsContact C-N 3.31Å; E213-Q215 PolarHBondContact O-N 3.44Å
216S44.1Very low71.4Confident59 Ų5960.4 Ų60.441%0.41332%0.317SS..THydrogen-bonded Turntrans178.67.5166.458.40000114S214 S218S214-S216 PolarHBondContact O-N 3.32Å; S216-S218 PolarHBondContact O-N 3.42Å
217L50.6Low71.9Confident59 Ų5957.7 Ų57.731%0.30930%0.303SS..THydrogen-bonded Turntrans-74.948.4169.2-69.2171.8000112S214 F358 L359S214-L217 PolarHBondContact O-N 3.24Å; L217-F358 HydrophobicContact CB-CD1 4.22Å; L217-F358 WeakPolarHBondContact O-CD1 3.48Å; L217-F358 WeakPolarHBondContact O-CE1 3.26Å; L217-L359 WeakPolarHBondContact CD2-O 3.29Å
218S61.8Low72.3Confident58 Ų5859.6 Ų59.641%0.40631%0.314SS..THydrogen-bonded Turntrans-73.2-21.5166.461.50000111.1S216 E220 D243S216-S218 PolarHBondContact O-N 3.42Å; S218-E220 PolarHBondContact O-N 3.41Å; S218-E220 VanDerWaalsContact O-N 3.09Å; S218-D243 WeakPolarHBondContact O-CB 3.46Å; S218-D243 WeakPolarHBondContact OG-CB 3.24Å; S218-D243 PolarHBondContact OG-O 3.01Å
219S78.3Confident72.8Confident12 Ų1257.1 Ų57.18%0.08430%0.304CS..  trans-74.1102.7-173.9-57.40000111.8R242 D243 L244 D245 L359S219-R242 VanDerWaalsContact CA-O 3.29Å; S219-R242 WeakPolarHBondContact CA-O 3.16Å; S219-D243 WeakPolarHBondContact CA-O 3.32Å; S219-D243 PolarHBondContact N-O 2.96Å; S219-D243 PolarHBondContact OG-O 2.69Å; S219-L244 VanDerWaalsContact OG-CA 3.25Å; S219-L244 WeakPolarHBondContact OG-CA 3.29Å; S219-D245 PolarHBondContact OG-N 3.41Å; S219-L359 WeakPolarHBondContact O-CB 3.46Å; S219-L359 PolarHBondContact O-N 3.39Å
220E89.4Confident73.7Confident41 Ų4154.4 Ų54.419%0.19230%0.304CS..EExtended strand (participates in β ladder)trans-111.4151.3175.4-59.8-177115.200111.4S218 A241 R242 W356 H357 F358S218-E220 PolarHBondContact O-N 3.41Å; S218-E220 VanDerWaalsContact O-N 3.09Å; E220-A241 CarbonylContact O-C 3.4Å; E220-A241 VanDerWaalsContact O-CA 3.22Å; E220-A241 WeakPolarHBondContact O-CA 3.33Å; E220-R242 PolarHBondContact N-O 3.24Å; E220-R242 VanDerWaalsContact N-O 3.15Å; E220-R242 PolarHBondContact O-N 3.39Å; E220-W356 HydrophobicContact CB-CE3 3.68Å; E220-W356 HydrophobicContact CB-CZ3 4.09Å; E220-H357 CarbonylContact C-O 3.57Å; E220-H357 VanDerWaalsContact CA-O 3.28Å; E220-H357 WeakPolarHBondContact CA-O 3.35Å; E220-F358 HydrophobicContact CG-CD1 3.65Å; E220-F358 HydrophobicContact CG-CE1 3.62Å; E220-F358 HydrophobicContact CG-CZ 4.49Å; E220-F358 WeakPolarHBondContact OE1-CE1 3.48Å
221L93.2Very high75.4Confident0 Ų057.9 Ų57.90%032%0.321CS..EExtended strand (participates in β ladder)trans-127.1128.1175.2-168.571.9000110.1I238 A241 I312 L326 H357 L359L221-I238 HydrophobicContact CD1-CG2 3.68Å; L221-I238 HydrophobicContact CD2-CD1 4.5Å; L221-I238 HydrophobicContact CD2-CG2 4.21Å; L221-I238 HydrophobicContact CG-CG2 3.99Å; L221-A241 HydrophobicContact CD1-CB 3.62Å; L221-I312 HydrophobicContact CD2-CG2 3.75Å; L221-L326 HydrophobicContact CD2-CD2 4.22Å; L221-H357 PolarHBondContact N-O 3.27Å; L221-H357 PolarHBondContact O-N 3.02Å; L221-L359 HydrophobicContact CB-CD1 4.24Å; L221-L359 HydrophobicContact CB-CD2 3.81Å; L221-L359 HydrophobicContact CB-CG 4.08Å; L221-L359 HydrophobicContact CD2-CD2 4.17Å
222H95.5Very high77.6Confident36 Ų3652.7 Ų52.717%0.16730%0.297CS..EExtended strand (participates in β ladder)trans-90.8118.2175.7-175.3-96000111S239 Q240 W356H222-S239 WeakPolarHBondContact CB-OG 3.22Å; H222-S239 PolarHBondContact ND1-OG 3.29Å; H222-S239 PolarHBondContact O-N 2.94Å; H222-Q240 HydrophobicContact CB-CG 4.41Å; H222-Q240 PolarHBondContact N-O 2.91Å; H222-W356 HydrophobicContact CB-CD2 3.82Å; H222-W356 HydrophobicContact CB-CE3 3.79Å; H222-W356 HydrophobicContact CB-CH2 3.62Å; H222-W356 HydrophobicContact CB-CZ2 3.58Å; H222-W356 HydrophobicContact CB-CZ3 3.73Å; H222-W356 AromaticContact CD2-CD1 3.67Å; H222-W356 AromaticContact CD2-CD2 3.93Å; H222-W356 AromaticContact CD2-CE2 3.5Å; H222-W356 AromaticContact CD2-CZ2 3.98Å; H222-W356 AromaticContact CD2-NE1 3.34Å; H222-W356 PolarHBondContact CD2-NE1 3.49Å; H222-W356 VanDerWaalsContact CD2-NE1 3.34Å; H222-W356 AromaticContact CG-CE2 3.89Å; H222-W356 AromaticContact CG-CZ2 3.96Å
223C96.4Very high80.2Confident0 Ų052.6 Ų52.60%028%0.283CS..EExtended strand (participates in β ladder)trans-121.8133.1-174.9-670000109.9L236 L328 Q341 S354 E355C223-L236 HydrophobicContact CB-CD1 4.05Å; C223-L328 HydrophobicContact CB-CD1 4.14Å; C223-Q341 PolarHBondContact O-NE2 2.99Å; C223-S354 WeakPolarHBondContact O-CA 3.24Å; C223-E355 PolarHBondContact N-O 2.83Å; C223-E355 PolarHBondContact O-N 2.79Å
224S97.8Very high82.9Confident16 Ų1648.5 Ų48.511%0.11226%0.264CS..EExtended strand (participates in β ladder)trans-116.8126.8172.3-55.90000109.9L236 T237 V353 S354S224-L236 CarbonylContact O-C 3.6Å; S224-L236 WeakPolarHBondContact O-CA 3.48Å; S224-T237 PolarHBondContact N-O 3.46Å; S224-T237 PolarHBondContact O-N 3.32Å; S224-V353 CarbonylContact C-O 3.43Å; S224-V353 WeakPolarHBondContact CA-O 3.43Å; S224-S354 WeakPolarHBondContact CB-OG 3.1Å; S224-S354 WeakPolarHBondContact OG-CB 3.49Å; S224-S354 PolarHBondContact OG-OG 2.88Å
225L97.6Very high85.8Confident0 Ų046.1 Ų46.10%025%0.247CC..EExtended strand (participates in β ladder)trans-112.5138.4-180-73.7178.5000110.8L234 L236 L310 L328 Q341 W342 M345 V352 V353L225-L234 HydrophobicContact CD2-CD1 4.49Å; L225-L236 HydrophobicContact CD2-CB 4.08Å; L225-L236 HydrophobicContact CD2-CD1 3.64Å; L225-L236 HydrophobicContact CD2-CG 4.45Å; L225-L236 HydrophobicContact CG-CD1 4.33Å; L225-L310 HydrophobicContact CD2-CD1 3.83Å; L225-L328 HydrophobicContact CD1-CD1 3.94Å; L225-L328 HydrophobicContact CD2-CD1 4.3Å; L225-L328 HydrophobicContact CG-CD1 4.21Å; L225-Q341 HydrophobicContact CD1-CG 4.16Å; L225-W342 HydrophobicContact CD1-CE3 4.01Å; L225-M345 HydrophobicContact CB-CB 4.28Å; L225-M345 HydrophobicContact CB-CG 4.1Å; L225-M345 HydrophobicContact CB-SD 3.74Å; L225-M345 HydrophobicContact CD1-SD 4.2Å; L225-M345 HydrophobicContact CD2-SD 4.48Å; L225-M345 HydrophobicContact CG-SD 4.38Å; L225-V352 WeakPolarHBondContact O-CA 3.42Å; L225-V353 PolarHBondContact N-O 3.29Å; L225-V353 PolarHBondContact O-N 2.9Å
226V97.5Very high88.7Confident29 Ų2938.1 Ų38.118%0.17621%0.209CC..EExtended strand (participates in β ladder)trans-144.9135.3166.958.80000109.8T235 T351 V352V226-T235 HydrophobicContact CG1-CG2 4.36Å; V226-T235 PolarHBondContact N-O 3.15Å; V226-T235 PolarHBondContact O-N 3.26Å; V226-T351 WeakPolarHBondContact CG2-O 3.32Å; V226-V352 HydrophobicContact CB-CG2 4.14Å; V226-V352 HydrophobicContact CG1-CG2 4.39Å
227Y97.7Very high91.3Very high1 Ų137.1 Ų37.10%0.00420%0.201CC..EExtended strand (participates in β ladder)trans-116.2125.5173-177.3-105.3000110.5N229 R233 L234 L300 P302 L305 M349 K350Y227-N229 HydrophobicContact CD1-CB 4.41Å; Y227-N229 HydrophobicContact CE1-CB 3.83Å; Y227-R233 WeakPolarHBondContact CA-O 3.34Å; Y227-R233 WeakPolarHBondContact CD2-O 3.41Å; Y227-L234 HydrophobicContact CD2-CB 3.97Å; Y227-L234 HydrophobicContact CD2-CD1 4.39Å; Y227-L300 WeakPolarHBondContact CE2-O 3.42Å; Y227-L300 PolarHBondContact OH-O 3.04Å; Y227-P302 WeakPolarHBondContact OH-CD 3.35Å; Y227-P302 WeakPolarHBondContact OH-CG 3.47Å; Y227-L305 HydrophobicContact CD1-CD1 3.93Å; Y227-L305 HydrophobicContact CD2-CD2 4Å; Y227-L305 HydrophobicContact CE1-CD1 3.67Å; Y227-L305 HydrophobicContact CE2-CD1 4.38Å; Y227-L305 HydrophobicContact CE2-CD2 4.03Å; Y227-L305 HydrophobicContact CE2-CG 4.49Å; Y227-L305 HydrophobicContact CG-CD1 4.39Å; Y227-L305 HydrophobicContact CG-CD2 4.32Å; Y227-M349 HydrophobicContact CD1-CG 4.4Å; Y227-M349 HydrophobicContact CD1-SD 4.21Å; Y227-M349 HydrophobicContact CE1-SD 4.44Å; Y227-M349 CarbonylContact O-C 3.6Å; Y227-K350 PolarHBondContact O-N 2.82Å
228N96.4Very high93.5Very high48 Ų4834.3 Ų34.326%0.25719%0.186SC..EExtended strand (participates in β ladder)trans-108.6102.9173.3-174-17.9000109.7S230 I231 E232 R233 K350N228-S230 VanDerWaalsContact C-N 3.33Å; N228-S230 PolarHBondContact O-N 3.13Å; N228-S230 WeakPolarHBondContact OD1-CB 3.45Å; N228-S230 PolarHBondContact OD1-N 2.85Å; N228-S230 VanDerWaalsContact OD1-N 3.1Å; N228-I231 HydrophobicContact CB-CD1 4.22Å; N228-I231 HydrophobicContact CB-CG1 3.84Å; N228-I231 PolarHBondContact O-N 3.2Å; N228-E232 PolarHBondContact O-N 3Å; N228-E232 VanDerWaalsContact O-N 3.09Å; N228-R233 PolarHBondContact N-O 3.26Å; N228-R233 PolarHBondContact O-N 3.02Å; N228-K350 HydrophobicContact CB-CG 4.38Å; N228-K350 VanDerWaalsContact OD1-CE 3.29Å; N228-K350 WeakPolarHBondContact OD1-CE 3.38Å
229N93.5Very high95Very high72 Ų7232.6 Ų32.639%0.38517%0.174SC..G310 helixtrans-59.8-39.8-179.7-173.618000112.9Y227 I231 E232 P302 M349Y227-N229 HydrophobicContact CD1-CB 4.41Å; Y227-N229 HydrophobicContact CE1-CB 3.83Å; N229-I231 PolarHBondContact O-N 2.69Å; N229-E232 PolarHBondContact O-N 2.7Å; N229-E232 VanDerWaalsContact O-N 3.09Å; N229-P302 WeakPolarHBondContact OD1-CG 3.43Å; N229-M349 HydrophobicContact CB-SD 3.94Å
230S93.7Very high95.7Very high89 Ų8934.4 Ų34.462%0.62218%0.181SC*.G310 helixtrans-61-24.1-175.8-55.20000113.8N228 K350N228-S230 VanDerWaalsContact C-N 3.33Å; N228-S230 PolarHBondContact O-N 3.13Å; N228-S230 WeakPolarHBondContact OD1-CB 3.45Å; N228-S230 PolarHBondContact OD1-N 2.85Å; N228-S230 VanDerWaalsContact OD1-N 3.1Å; S230-K350 PolarHBondContact OG-NZ 2.87Å
231I95.2Very high95.8Very high85 Ų8532.5 Ų32.544%0.43617%0.172SC..G310 helixtrans-121.811.4178.861.6171.1000112.5N228 N229 R233N228-I231 HydrophobicContact CB-CD1 4.22Å; N228-I231 HydrophobicContact CB-CG1 3.84Å; N228-I231 PolarHBondContact O-N 3.2Å; N229-I231 PolarHBondContact O-N 2.69Å; I231-R233 VanDerWaalsContact C-N 3.31Å; I231-R233 HydrophobicContact CD1-CB 3.8Å; I231-R233 HydrophobicContact CG1-CB 3.71Å; I231-R233 PolarHBondContact O-N 3.24Å
232E95.8Very high95.5Very high57 Ų5737 Ų3727%0.26619%0.189SC..THydrogen-bonded Turntrans48.248-177.8-57.9-171.4131.500113.3N228 N229 K299 L300 S301N228-E232 PolarHBondContact O-N 3Å; N228-E232 VanDerWaalsContact O-N 3.09Å; N229-E232 PolarHBondContact O-N 2.7Å; N229-E232 VanDerWaalsContact O-N 3.09Å; E232-K299 HydrophobicContact CB-CG 4.47Å; E232-K299 CarbonylContact O-C 3.54Å; E232-K299 VanDerWaalsContact O-CA 3.3Å; E232-K299 WeakPolarHBondContact O-CA 3.46Å; E232-K299 VanDerWaalsContact OE2-CE 3.25Å; E232-K299 WeakPolarHBondContact OE2-CE 3.41Å; E232-K299 IonicContact OE2-NZ 2.77Å; E232-L300 CarbonylContact C-O 3.46Å; E232-L300 WeakPolarHBondContact CB-O 3.19Å; E232-L300 PolarHBondContact O-N 2.93Å; E232-S301 WeakPolarHBondContact OE1-CA 3.39Å; E232-S301 VanDerWaalsContact OE1-CB 3.24Å; E232-S301 WeakPolarHBondContact OE1-CB 3.42Å; E232-S301 PolarHBondContact OE1-OG 2.75Å; E232-S301 PolarHBondContact OE2-OG 3.37Å
233R96.5Very high94.5Very high120 Ų12039.4 Ų39.445%0.45320%0.204SC..EExtended strand (participates in β ladder)trans-119.9119.3-172.7-171.4-179.8-62.8179.92.9112.1Y227 N228 I231 N297 F298Y227-R233 WeakPolarHBondContact CA-O 3.34Å; Y227-R233 WeakPolarHBondContact CD2-O 3.41Å; N228-R233 PolarHBondContact N-O 3.26Å; N228-R233 PolarHBondContact O-N 3.02Å; I231-R233 VanDerWaalsContact C-N 3.31Å; I231-R233 HydrophobicContact CD1-CB 3.8Å; I231-R233 HydrophobicContact CG1-CB 3.71Å; I231-R233 PolarHBondContact O-N 3.24Å; R233-N297 WeakPolarHBondContact CD-OD1 3.32Å; R233-F298 WeakPolarHBondContact CA-O 3.47Å
234L97.2Very high93.6Very high0 Ų039.5 Ų39.50%020%0.204CC..EExtended strand (participates in β ladder)trans-95.5123.3166.2178.661.8000109.3L225 Y227 L269 F298 L300 L310 W342 M345L225-L234 HydrophobicContact CD2-CD1 4.49Å; Y227-L234 HydrophobicContact CD2-CB 3.97Å; Y227-L234 HydrophobicContact CD2-CD1 4.39Å; L234-L269 HydrophobicContact CD2-CD1 4.44Å; L234-F298 HydrophobicContact CB-CB 4.4Å; L234-F298 PolarHBondContact N-O 2.68Å; L234-F298 PolarHBondContact O-N 2.91Å; L234-L300 HydrophobicContact CB-CD2 4.48Å; L234-L300 HydrophobicContact CD2-CD2 3.95Å; L234-L310 HydrophobicContact CD2-CD1 3.94Å; L234-L310 HydrophobicContact CD2-CD2 4.28Å; L234-L310 HydrophobicContact CD2-CG 4.18Å; L234-L310 HydrophobicContact CG-CD1 4.43Å; L234-W342 HydrophobicContact CD2-CH2 3.74Å; L234-W342 HydrophobicContact CD2-CZ3 4.21Å; L234-M345 HydrophobicContact CD1-CE 3.96Å; L234-M345 HydrophobicContact CD1-SD 3.39Å; L234-M345 WeakPolarHBondContact CD1-SD 3.41Å
235T97.7Very high92.2Very high19 Ų1941.4 Ų41.412%0.11721%0.213CC..EExtended strand (participates in β ladder)trans-117.2123.3177.6-54.40000109.5V226 F296 N297V226-T235 HydrophobicContact CG1-CG2 4.36Å; V226-T235 PolarHBondContact N-O 3.15Å; V226-T235 PolarHBondContact O-N 3.26Å; T235-F296 WeakPolarHBondContact CA-O 3.44Å; T235-N297 PolarHBondContact OG1-OD1 3.28Å
236L97.9Very high90.3Very high0 Ų042.2 Ų42.20%022%0.217CC..EExtended strand (participates in β ladder)trans-106.9119.7169.2171.368.3000108.5C223 S224 L225 I238 V267 S295 F296 L310 I312 L328C223-L236 HydrophobicContact CB-CD1 4.05Å; S224-L236 CarbonylContact O-C 3.6Å; S224-L236 WeakPolarHBondContact O-CA 3.48Å; L225-L236 HydrophobicContact CD2-CB 4.08Å; L225-L236 HydrophobicContact CD2-CD1 3.64Å; L225-L236 HydrophobicContact CD2-CG 4.45Å; L225-L236 HydrophobicContact CG-CD1 4.33Å; L236-I238 HydrophobicContact CD1-CG1 4.31Å; L236-I238 HydrophobicContact CD2-CD1 3.91Å; L236-I238 HydrophobicContact CD2-CG1 4.11Å; L236-I238 HydrophobicContact CG-CD1 4.35Å; L236-I238 HydrophobicContact CG-CG1 3.99Å; L236-V267 HydrophobicContact CD2-CG1 3.76Å; L236-V267 HydrophobicContact CD2-CG2 4.31Å; L236-S295 CarbonylContact O-C 3.53Å; L236-S295 WeakPolarHBondContact O-CA 3Å; L236-F296 PolarHBondContact N-O 3.14Å; L236-F296 PolarHBondContact O-N 2.9Å; L236-L310 HydrophobicContact CB-CD1 4Å; L236-L310 HydrophobicContact CD2-CD1 4.19Å; L236-I312 HydrophobicContact CD2-CD1 4.06Å; L236-I312 HydrophobicContact CD2-CG1 3.75Å; L236-L328 HydrophobicContact CD1-CD1 4.15Å
237T97.9Very high88.2Confident38 Ų3841.4 Ų41.423%0.23321%0.212CC..EExtended strand (participates in β ladder)trans-105.6129170.3-59.30000109.1S224 E294 S295S224-T237 PolarHBondContact N-O 3.46Å; S224-T237 PolarHBondContact O-N 3.32Å; T237-E294 WeakPolarHBondContact CA-O 3.31Å; T237-S295 PolarHBondContact OG1-OG 2.87Å
238I96.7Very high85.9Confident0 Ų045.4 Ų45.40%026%0.255CS..EExtended strand (participates in β ladder)trans-112.4113.1175.8-56.4175.9000107L221 L236 L265 V267 F292 N293 E294 F296 I312L221-I238 HydrophobicContact CD1-CG2 3.68Å; L221-I238 HydrophobicContact CD2-CD1 4.5Å; L221-I238 HydrophobicContact CD2-CG2 4.21Å; L221-I238 HydrophobicContact CG-CG2 3.99Å; L236-I238 HydrophobicContact CD1-CG1 4.31Å; L236-I238 HydrophobicContact CD2-CD1 3.91Å; L236-I238 HydrophobicContact CD2-CG1 4.11Å; L236-I238 HydrophobicContact CG-CD1 4.35Å; L236-I238 HydrophobicContact CG-CG1 3.99Å; I238-L265 HydrophobicContact CB-CD1 3.94Å; I238-L265 HydrophobicContact CD1-CD1 3.57Å; I238-L265 HydrophobicContact CG1-CD1 4.34Å; I238-L265 HydrophobicContact CG2-CD1 3.54Å; I238-V267 HydrophobicContact CD1-CG2 3.92Å; I238-F292 HydrophobicContact CG2-CD2 4.25Å; I238-N293 WeakPolarHBondContact O-CA 3.39Å; I238-N293 PolarHBondContact O-N 3.12Å; I238-E294 PolarHBondContact N-O 3.47Å; I238-E294 PolarHBondContact O-N 3.41Å; I238-E294 VanDerWaalsContact O-N 3.09Å; I238-F296 HydrophobicContact CD1-CD2 4.33Å; I238-F296 HydrophobicContact CD1-CE2 3.97Å; I238-F296 HydrophobicContact CG1-CE2 4.36Å; I238-I312 HydrophobicContact CD1-CG1 4.22Å; I238-I312 HydrophobicContact CD1-CG2 3.82Å
239S93.7Very high83.3Confident21 Ų2146.3 Ų46.315%0.14726%0.259CS..EExtended strand (participates in β ladder)trans-85.5-53.2-176.161.90000111.2H222 I291 F292 N293H222-S239 WeakPolarHBondContact CB-OG 3.22Å; H222-S239 PolarHBondContact ND1-OG 3.29Å; H222-S239 PolarHBondContact O-N 2.94Å; S239-I291 CarbonylContact O-C 3.58Å; S239-I291 WeakPolarHBondContact O-CA 3.18Å; S239-F292 PolarHBondContact O-N 3.37Å; S239-N293 WeakPolarHBondContact CA-OD1 3.23Å; S239-N293 WeakPolarHBondContact CB-OD1 2.96Å; S239-N293 PolarHBondContact O-N 3.11Å; S239-N293 PolarHBondContact O-OD1 3.11Å
240Q92.9Very high81.1Confident51 Ų5147.8 Ų47.824%0.23827%0.273CS..EExtended strand (participates in β ladder)trans-157.5155.9-176.858.4178.510.800112.2H222 P290 I291 W356H222-Q240 HydrophobicContact CB-CG 4.41Å; H222-Q240 PolarHBondContact N-O 2.91Å; Q240-P290 CarbonylContact C-O 3.56Å; Q240-P290 WeakPolarHBondContact CA-O 3.04Å; Q240-P290 WeakPolarHBondContact CB-O 3.38Å; Q240-I291 HydrophobicContact CB-CB 4.42Å; Q240-I291 HydrophobicContact CB-CG1 4.1Å; Q240-W356 HydrophobicContact CG-CH2 3.61Å; Q240-W356 HydrophobicContact CG-CZ2 4.21Å; Q240-W356 VanDerWaalsContact NE2-CH2 3.3Å; Q240-W356 VanDerWaalsContact NE2-CZ2 3.34Å
241A91.6Very high78.8Confident1 Ų150.6 Ų50.61%0.00828%0.276CS..EExtended strand (participates in β ladder)trans-106.9156162.400000109.5E220 L221 L244 S289 P290 F292E220-A241 CarbonylContact O-C 3.4Å; E220-A241 VanDerWaalsContact O-CA 3.22Å; E220-A241 WeakPolarHBondContact O-CA 3.33Å; L221-A241 HydrophobicContact CD1-CB 3.62Å; A241-L244 HydrophobicContact CB-CD1 3.93Å; A241-L244 HydrophobicContact CB-CD2 3.86Å; A241-L244 HydrophobicContact CB-CG 3.86Å; A241-S289 CarbonylContact O-C 3.41Å; A241-S289 VanDerWaalsContact O-C 3.25Å; A241-S289 WeakPolarHBondContact O-CA 3.4Å; A241-S289 WeakPolarHBondContact O-CB 3.4Å; A241-P290 HydrophobicContact CB-CG 3.99Å; A241-P290 PolarHBondContact N-O 2.74Å; A241-F292 HydrophobicContact CB-CE2 4.44Å
242R85.6Confident76.6Confident94 Ų9449 Ų4936%0.35527%0.27SS..EExtended strand (participates in β ladder)trans-127.9146.7174-63.3179.6-173.21601.9109.9S219 E220 L244 W356S219-R242 VanDerWaalsContact CA-O 3.29Å; S219-R242 WeakPolarHBondContact CA-O 3.16Å; E220-R242 PolarHBondContact N-O 3.24Å; E220-R242 VanDerWaalsContact N-O 3.15Å; E220-R242 PolarHBondContact O-N 3.39Å; R242-L244 PolarHBondContact O-N 3.4Å; R242-L244 VanDerWaalsContact O-N 3.09Å; R242-W356 HydrophobicContact CB-CZ3 4.47Å; R242-W356 HydrophobicContact CG-CH2 3.74Å; R242-W356 HydrophobicContact CG-CZ3 3.82Å
243D75.6Confident74.4Confident87 Ų8750.2 Ų50.247%0.46527%0.273SS..SBendtrans47.144.3171.1-52.1-39.3000113.5S218 S219 D245 S289S218-D243 WeakPolarHBondContact O-CB 3.46Å; S218-D243 WeakPolarHBondContact OG-CB 3.24Å; S218-D243 PolarHBondContact OG-O 3.01Å; S219-D243 WeakPolarHBondContact CA-O 3.32Å; S219-D243 PolarHBondContact N-O 2.96Å; S219-D243 PolarHBondContact OG-O 2.69Å; D243-D245 PolarHBondContact O-N 2.98Å; D243-S289 PolarHBondContact N-OG 2.74Å
244L77.4Confident72.2Confident2 Ų248.4 Ų48.41%0.0127%0.274CS..  trans-59.9121.5173.2-67.1179.9000109.3S219 A241 R242 L246 V263 R288 P290 V314 L359S219-L244 VanDerWaalsContact OG-CA 3.25Å; S219-L244 WeakPolarHBondContact OG-CA 3.29Å; A241-L244 HydrophobicContact CB-CD1 3.93Å; A241-L244 HydrophobicContact CB-CD2 3.86Å; A241-L244 HydrophobicContact CB-CG 3.86Å; R242-L244 PolarHBondContact O-N 3.4Å; R242-L244 VanDerWaalsContact O-N 3.09Å; L244-L246 VanDerWaalsContact C-N 3.27Å; L244-L246 HydrophobicContact CB-CD2 3.9Å; L244-L246 HydrophobicContact CB-CG 4.07Å; L244-L246 HydrophobicContact CD1-CD2 4.36Å; L244-L246 PolarHBondContact O-N 3.21Å; L244-V263 HydrophobicContact CD1-CB 4.46Å; L244-V263 HydrophobicContact CD1-CG1 3.77Å; L244-V263 HydrophobicContact CD1-CG2 4.18Å; L244-R288 VanDerWaalsContact CB-O 3.24Å; L244-R288 WeakPolarHBondContact CB-O 3.25Å; L244-R288 VanDerWaalsContact CG-O 3.29Å; L244-R288 WeakPolarHBondContact CG-O 3.49Å; L244-R288 PolarHBondContact N-O 2.81Å; L244-P290 HydrophobicContact CD1-CG 3.67Å; L244-V314 HydrophobicContact CD1-CG1 3.98Å; L244-V314 HydrophobicContact CD2-CG1 4.15Å; L244-L359 HydrophobicContact CD2-CD1 3.46Å; L244-L359 VanDerWaalsContact CD2-CD1 3.46Å
245D68Low69.9Low56 Ų5654.8 Ų54.830%0.29930%0.303SS..  trans-75.985.7170.7-168.22.8000109.9S219 D243 S247 I323S219-D245 PolarHBondContact OG-N 3.41Å; D243-D245 PolarHBondContact O-N 2.98Å; D245-S247 PolarHBondContact O-N 3.39Å; D245-S247 PolarHBondContact OD1-N 2.82Å; D245-S247 PolarHBondContact OD1-OG 3.24Å; D245-I323 VanDerWaalsContact O-CG2 3.23Å; D245-I323 WeakPolarHBondContact O-CG2 3.33Å
246L58.6Low67.7Low17 Ų1755 Ų559%0.08930%0.302CS..  trans-78.39.8176.8-57.4-180000112.3L244 H256 V263 R288 I323L244-L246 VanDerWaalsContact C-N 3.27Å; L244-L246 HydrophobicContact CB-CD2 3.9Å; L244-L246 HydrophobicContact CB-CG 4.07Å; L244-L246 HydrophobicContact CD1-CD2 4.36Å; L244-L246 PolarHBondContact O-N 3.21Å; L246-H256 PolarHBondContact O-CD2 2.76Å; L246-H256 VanDerWaalsContact O-CD2 3.24Å; L246-H256 PolarHBondContact O-NE2 2.82Å; L246-V263 HydrophobicContact CD1-CG2 3.83Å; L246-V263 HydrophobicContact CD2-CG2 3.56Å; L246-V263 HydrophobicContact CG-CG2 4.37Å; L246-R288 HydrophobicContact CD1-CG 4.16Å; L246-R288 HydrophobicContact CG-CG 4.44Å; L246-I323 HydrophobicContact CD2-CD1 3.27Å
247S53.3Low65.5Low11 Ų1158.8 Ų58.88%0.07732%0.322CS..  trans-155.9104.3-161.854.30000113.5D245 N249 R288D245-S247 PolarHBondContact O-N 3.39Å; D245-S247 PolarHBondContact OD1-N 2.82Å; D245-S247 PolarHBondContact OD1-OG 3.24Å; S247-N249 WeakPolarHBondContact CB-O 3.25Å; S247-N249 PolarHBondContact O-N 2.84Å; S247-R288 PolarHBondContact OG-NH2 3Å
248G49.5Very low63.2Low86 Ų8665.1 Ų65.189%0.88735%0.347SS*.SBendtrans-62.67.716600000115.4
249N41.9Very low61.3Low67 Ų6766.9 Ų66.936%0.35836%0.357SS..SBendtrans-163.9134.7172.9179.9-5.9000108.9S247 E251 T252S247-N249 WeakPolarHBondContact CB-O 3.25Å; S247-N249 PolarHBondContact O-N 2.84Å; N249-E251 PolarHBondContact O-N 3.48Å; N249-E251 PolarHBondContact OD1-N 2.69Å; N249-T252 VanDerWaalsContact O-CB 3.26Å; N249-T252 WeakPolarHBondContact O-CB 3.29Å; N249-T252 PolarHBondContact O-N 2.78Å; N249-T252 PolarHBondContact O-OG1 3.48Å; N249-T252 VanDerWaalsContact O-OG1 3.13Å
250P46Very low59.9Low103 Ų10372.4 Ų72.467%0.66938%0.379SS*.Hα-helixtrans-49.1-29.5174.115.8-31.7000115.5T252 W253P250-T252 VanDerWaalsContact C-N 3.29Å; P250-T252 PolarHBondContact O-N 3.36Å; P250-W253 PolarHBondContact O-N 3.04Å
251E45.3Very low59Low148 Ų14870.3 Ų70.369%0.69237%0.371SS*.Hα-helixtrans-65.7-31.1174.9-65-178159.700112.9N249 W253 V254 F255N249-E251 PolarHBondContact O-N 3.48Å; N249-E251 PolarHBondContact OD1-N 2.69Å; E251-W253 VanDerWaalsContact C-N 3.28Å; E251-W253 PolarHBondContact O-N 2.92Å; E251-V254 PolarHBondContact O-N 3.31Å; E251-F255 PolarHBondContact O-N 2.88Å
252T50.5Low58.7Low51 Ų5170.5 Ų70.531%0.31337%0.373SS..Hα-helixtrans-68.9-27.8179-39.40000111.5N249 P250 F255 H256N249-T252 VanDerWaalsContact O-CB 3.26Å; N249-T252 WeakPolarHBondContact O-CB 3.29Å; N249-T252 PolarHBondContact O-N 2.78Å; N249-T252 PolarHBondContact O-OG1 3.48Å; N249-T252 VanDerWaalsContact O-OG1 3.13Å; P250-T252 VanDerWaalsContact C-N 3.29Å; P250-T252 PolarHBondContact O-N 3.36Å; T252-F255 WeakPolarHBondContact O-CB 3.28Å; T252-F255 PolarHBondContact O-N 3.09Å; T252-H256 WeakPolarHBondContact O-CB 3.22Å; T252-H256 PolarHBondContact O-CD2 2.96Å; T252-H256 PolarHBondContact O-N 3.25Å
253W49.1Very low58.8Low83 Ų8366.2 Ų66.231%0.31436%0.357SS..Hα-helixtrans-73-37.2178.7-16864.2000113.1P250 E251 F255 H256 L257 R288P250-W253 PolarHBondContact O-N 3.04Å; E251-W253 VanDerWaalsContact C-N 3.28Å; E251-W253 PolarHBondContact O-N 2.92Å; W253-F255 VanDerWaalsContact C-N 3.32Å; W253-H256 CarbonylContact O-C 3.58Å; W253-H256 WeakPolarHBondContact O-CA 3.49Å; W253-H256 WeakPolarHBondContact O-CB 3.36Å; W253-H256 PolarHBondContact O-N 2.76Å; W253-H256 VanDerWaalsContact O-N 3.11Å; W253-L257 HydrophobicContact CD2-CD1 3.65Å; W253-L257 VanDerWaalsContact CE2-CD1 3.49Å; W253-L257 HydrophobicContact CE3-CD1 3.72Å; W253-L257 HydrophobicContact CG-CD1 4.42Å; W253-L257 HydrophobicContact CH2-CD1 3.63Å; W253-L257 HydrophobicContact CZ2-CD1 3.52Å; W253-L257 HydrophobicContact CZ3-CD1 3.7Å; W253-L257 WeakPolarHBondContact O-CD1 3.22Å; W253-L257 PolarHBondContact O-N 2.8Å; W253-R288 VanDerWaalsContact CE2-NE 3.34Å; W253-R288 HydrophobicContact CZ2-CG 4.02Å
254V49.9Very low59.7Low81 Ų8162.8 Ų62.849%0.49134%0.337SS..Hα-helixtrans-61.6-46.1171.9-179.30000109.1E251 H256 L257 F258E251-V254 PolarHBondContact O-N 3.31Å; V254-H256 VanDerWaalsContact C-N 3.26Å; V254-H256 PolarHBondContact O-N 2.97Å; V254-L257 PolarHBondContact O-N 3.09Å; V254-L257 VanDerWaalsContact O-N 3.14Å; V254-F258 HydrophobicContact CG1-CD2 3.99Å; V254-F258 HydrophobicContact CG1-CE2 3.64Å; V254-F258 WeakPolarHBondContact O-CD2 3.43Å; V254-F258 PolarHBondContact O-N 3.15Å
255F48.6Very low60.5Low135 Ų13562.7 Ų62.759%0.59234%0.337SS*.Hα-helixtrans-56.6-41.4172-166.7-99.7000111.8E251 T252 W253 L257 F258 T259E251-F255 PolarHBondContact O-N 2.88Å; T252-F255 WeakPolarHBondContact O-CB 3.28Å; T252-F255 PolarHBondContact O-N 3.09Å; W253-F255 VanDerWaalsContact C-N 3.32Å; F255-L257 PolarHBondContact O-N 3.03Å; F255-F258 PolarHBondContact O-N 2.83Å; F255-F258 VanDerWaalsContact O-N 3.12Å; F255-T259 HydrophobicContact CD1-CG2 3.6Å; F255-T259 HydrophobicContact CE1-CG2 3.34Å; F255-T259 HydrophobicContact CG-CG2 4.34Å; F255-T259 HydrophobicContact CZ-CG2 3.9Å; F255-T259 WeakPolarHBondContact O-CG2 3.49Å; F255-T259 PolarHBondContact O-N 2.85Å; F255-T259 PolarHBondContact O-OG1 2.9Å
256H50.9Low61.8Low24 Ų2462.5 Ų62.511%0.11133%0.333CS..Hα-helixtrans-63.5-34.9176.5-80.8-51.8000114.5L246 T252 W253 V254 F258 T259 Q316L246-H256 PolarHBondContact O-CD2 2.76Å; L246-H256 VanDerWaalsContact O-CD2 3.24Å; L246-H256 PolarHBondContact O-NE2 2.82Å; T252-H256 WeakPolarHBondContact O-CB 3.22Å; T252-H256 PolarHBondContact O-CD2 2.96Å; T252-H256 PolarHBondContact O-N 3.25Å; W253-H256 CarbonylContact O-C 3.58Å; W253-H256 WeakPolarHBondContact O-CA 3.49Å; W253-H256 WeakPolarHBondContact O-CB 3.36Å; W253-H256 PolarHBondContact O-N 2.76Å; W253-H256 VanDerWaalsContact O-N 3.11Å; V254-H256 VanDerWaalsContact C-N 3.26Å; V254-H256 PolarHBondContact O-N 2.97Å; H256-F258 VanDerWaalsContact C-N 3.3Å; H256-F258 PolarHBondContact O-N 2.8Å; H256-T259 VanDerWaalsContact CA-OG1 3.32Å; H256-T259 WeakPolarHBondContact CA-OG1 3.27Å; H256-T259 PolarHBondContact O-N 3.35Å; H256-T259 VanDerWaalsContact O-O 3.13Å; H256-T259 PolarHBondContact O-OG1 3.49Å; H256-T259 VanDerWaalsContact O-OG1 3.11Å; H256-Q316 PolarHBondContact CE1-NE2 2.8Å; H256-Q316 PolarHBondContact CE1-OE1 2.9Å; H256-Q316 PolarHBondContact ND1-NE2 2.9Å; H256-Q316 PolarHBondContact NE2-NE2 2.84Å
257L51.6Low63.7Low79 Ų7961.7 Ų61.741%0.41433%0.329SS..Hα-helixtrans-63.9-35.9172.7-101.693.7000112.5W253 V254 F255W253-L257 HydrophobicContact CD2-CD1 3.65Å; W253-L257 VanDerWaalsContact CE2-CD1 3.49Å; W253-L257 HydrophobicContact CE3-CD1 3.72Å; W253-L257 HydrophobicContact CG-CD1 4.42Å; W253-L257 HydrophobicContact CH2-CD1 3.63Å; W253-L257 HydrophobicContact CZ2-CD1 3.52Å; W253-L257 HydrophobicContact CZ3-CD1 3.7Å; W253-L257 WeakPolarHBondContact O-CD1 3.22Å; W253-L257 PolarHBondContact O-N 2.8Å; V254-L257 PolarHBondContact O-N 3.09Å; V254-L257 VanDerWaalsContact O-N 3.14Å; F255-L257 PolarHBondContact O-N 3.03Å
258F51.5Low65.7Low171 Ų17162 Ų6275%0.7533%0.329SS*.Hα-helixtrans-82.4-25.7179.4-70.5-69.8000113.2V254 F255 H256V254-F258 HydrophobicContact CG1-CD2 3.99Å; V254-F258 HydrophobicContact CG1-CE2 3.64Å; V254-F258 WeakPolarHBondContact O-CD2 3.43Å; V254-F258 PolarHBondContact O-N 3.15Å; F255-F258 PolarHBondContact O-N 2.83Å; F255-F258 VanDerWaalsContact O-N 3.12Å; H256-F258 VanDerWaalsContact C-N 3.3Å; H256-F258 PolarHBondContact O-N 2.8Å
259T56.6Low67.9Low36 Ų3658 Ų5822%0.22129%0.288CS..SBendtrans-80.6151.5174.559.80000112.8F255 H256 A261F255-T259 HydrophobicContact CD1-CG2 3.6Å; F255-T259 HydrophobicContact CE1-CG2 3.34Å; F255-T259 HydrophobicContact CG-CG2 4.34Å; F255-T259 HydrophobicContact CZ-CG2 3.9Å; F255-T259 WeakPolarHBondContact O-CG2 3.49Å; F255-T259 PolarHBondContact O-N 2.85Å; F255-T259 PolarHBondContact O-OG1 2.9Å; H256-T259 VanDerWaalsContact CA-OG1 3.32Å; H256-T259 WeakPolarHBondContact CA-OG1 3.27Å; H256-T259 PolarHBondContact O-N 3.35Å; H256-T259 VanDerWaalsContact O-O 3.13Å; H256-T259 PolarHBondContact O-OG1 3.49Å; H256-T259 VanDerWaalsContact O-OG1 3.11Å; T259-A261 PolarHBondContact O-N 2.7Å; T259-A261 WeakPolarHBondContact OG1-CB 3.24Å
260F63.9Low70.3Confident137 Ų13755.2 Ų55.260%0.60127%0.273SS*.SBendtrans-7116.8170.4-67.1-84000113.8R285F260-R285 PolarHBondContact O-NE 3.39Å
261A73.2Confident72.3Confident8 Ų852 Ų527%0.06625%0.25CS..  trans-68.7138.8176.900000110T259 Q316 S317T259-A261 PolarHBondContact O-N 2.7Å; T259-A261 WeakPolarHBondContact OG1-CB 3.24Å; A261-Q316 HydrophobicContact CB-CG 4.45Å; A261-S317 WeakPolarHBondContact CA-O 3.23Å; A261-S317 VanDerWaalsContact CB-O 3.27Å; A261-S317 WeakPolarHBondContact CB-O 3.49Å
262G84.7Confident74Confident5 Ų546.5 Ų46.55%0.05223%0.234CC..EExtended strand (participates in β ladder)trans-139.9167.3173.800000111.3I284 Q316 S317G262-I284 CarbonylContact C-O 3.54Å; G262-I284 VanDerWaalsContact CA-O 3.22Å; G262-I284 WeakPolarHBondContact CA-O 3.25Å; G262-Q316 CarbonylContact O-C 3.6Å; G262-S317 WeakPolarHBondContact CA-OG 3.37Å; G262-S317 PolarHBondContact N-OG 3.04Å; G262-S317 PolarHBondContact O-N 3.34Å; G262-S317 PolarHBondContact O-OG 2.81Å
263V89.2Confident75.3Confident3 Ų351.5 Ų51.52%0.01826%0.264CS..EExtended strand (participates in β ladder)trans-96.6135.1178.2-174.50000109.3L244 L246 T283 I284 P290 F292 V314 C315L244-V263 HydrophobicContact CD1-CB 4.46Å; L244-V263 HydrophobicContact CD1-CG1 3.77Å; L244-V263 HydrophobicContact CD1-CG2 4.18Å; L246-V263 HydrophobicContact CD1-CG2 3.83Å; L246-V263 HydrophobicContact CD2-CG2 3.56Å; L246-V263 HydrophobicContact CG-CG2 4.37Å; V263-T283 CarbonylContact O-C 3.57Å; V263-T283 WeakPolarHBondContact O-CA 3.45Å; V263-I284 PolarHBondContact N-O 2.85Å; V263-I284 PolarHBondContact O-N 3.07Å; V263-P290 HydrophobicContact CB-CG 4.44Å; V263-P290 HydrophobicContact CG1-CG 4.4Å; V263-F292 HydrophobicContact CG1-CZ 4.16Å; V263-V314 HydrophobicContact CG1-CG1 3.56Å; V263-C315 CarbonylContact C-O 3.48Å; V263-C315 VanDerWaalsContact CA-O 3.31Å; V263-C315 WeakPolarHBondContact CA-O 3.35Å
264Y93.6Very high76.9Confident16 Ų1656.3 Ų56.36%0.06328%0.282CS..EExtended strand (participates in β ladder)trans-136.4162168.772.4-90.3000109.9K266 K280 C315 D320Y264-K266 HydrophobicContact CE2-CB 4.43Å; Y264-K280 HydrophobicContact CD2-CB 4.48Å; Y264-K280 HydrophobicContact CD2-CD 4.23Å; Y264-K280 HydrophobicContact CD2-CG 4.38Å; Y264-K280 HydrophobicContact CE2-CD 3.83Å; Y264-K280 HydrophobicContact CE2-CG 4.21Å; Y264-C315 HydrophobicContact CD1-CB 3.98Å; Y264-C315 HydrophobicContact CD2-CB 4.08Å; Y264-C315 HydrophobicContact CE1-CB 3.5Å; Y264-C315 HydrophobicContact CE2-CB 3.57Å; Y264-C315 HydrophobicContact CG-CB 4.25Å; Y264-C315 PolarHBondContact N-O 2.99Å; Y264-C315 PolarHBondContact O-N 3.11Å; Y264-C315 WeakPolarHBondContact OH-CB 3.33Å; Y264-D320 PolarHBondContact OH-OD2 2.98Å
265L95.2Very high79Confident0 Ų059.2 Ų59.20%028%0.284CS..EExtended strand (participates in β ladder)trans-104.1141.3178.4-54.8173.9000109.7I238 K280 S281 F292 I312 L313 V314I238-L265 HydrophobicContact CB-CD1 3.94Å; I238-L265 HydrophobicContact CD1-CD1 3.57Å; I238-L265 HydrophobicContact CG1-CD1 4.34Å; I238-L265 HydrophobicContact CG2-CD1 3.54Å; L265-K280 CarbonylContact O-C 3.55Å; L265-K280 WeakPolarHBondContact O-CA 3.08Å; L265-S281 PolarHBondContact N-OG 2.9Å; L265-S281 PolarHBondContact O-N 3.35Å; L265-F292 HydrophobicContact CD1-CB 4.41Å; L265-F292 HydrophobicContact CD1-CD1 3.92Å; L265-F292 HydrophobicContact CD1-CD2 3.62Å; L265-F292 HydrophobicContact CD1-CE1 4.05Å; L265-F292 HydrophobicContact CD1-CE2 3.72Å; L265-F292 HydrophobicContact CD1-CG 3.71Å; L265-F292 HydrophobicContact CD1-CZ 3.95Å; L265-F292 HydrophobicContact CD2-CE1 4.47Å; L265-F292 HydrophobicContact CD2-CE2 3.93Å; L265-F292 HydrophobicContact CD2-CZ 3.84Å; L265-F292 HydrophobicContact CG-CD1 4.1Å; L265-F292 HydrophobicContact CG-CD2 4.22Å; L265-F292 HydrophobicContact CG-CE1 3.74Å; L265-F292 HydrophobicContact CG-CE2 3.83Å; L265-F292 HydrophobicContact CG-CG 4.33Å; L265-F292 HydrophobicContact CG-CZ 3.59Å; L265-I312 HydrophobicContact CD2-CG2 4.44Å; L265-L313 CarbonylContact C-O 3.58Å; L265-L313 WeakPolarHBondContact CA-O 3.29Å; L265-V314 HydrophobicContact CD2-CB 4.41Å; L265-V314 HydrophobicContact CD2-CG2 3.84Å
266K95.8Very high81.1Confident51 Ų5156.6 Ų56.622%0.22228%0.276CS..EExtended strand (participates in β ladder)trans-117.3111165.9-172.6-173.1-175.5-151.30108.2Y264 E268 S278 R279 K280 L313Y264-K266 HydrophobicContact CE2-CB 4.43Å; K266-E268 WeakPolarHBondContact CE-OE1 3.31Å; K266-E268 HydrophobicContact CG-CG 4.38Å; K266-E268 IonicContact NZ-OE1 3.88Å; K266-E268 PolarHBondContact NZ-OE1 2.95Å; K266-S278 WeakPolarHBondContact CE-OG 3.21Å; K266-R279 CarbonylContact C-O 3.52Å; K266-R279 WeakPolarHBondContact CA-O 3.46Å; K266-K280 HydrophobicContact CB-CG 4.48Å; K266-K280 HydrophobicContact CG-CG 4.29Å; K266-L313 HydrophobicContact CB-CB 4.24Å; K266-L313 HydrophobicContact CD-CD1 4.27Å; K266-L313 PolarHBondContact N-O 3.5Å; K266-L313 PolarHBondContact O-N 3.06Å
267V97.1Very high83.2Confident0 Ų058.8 Ų58.80%029%0.285CS..EExtended strand (participates in β ladder)trans-100.3124.6180-176.20000109.1L236 I238 S278 R279 F296 F298 I311 I312L236-V267 HydrophobicContact CD2-CG1 3.76Å; L236-V267 HydrophobicContact CD2-CG2 4.31Å; I238-V267 HydrophobicContact CD1-CG2 3.92Å; V267-S278 CarbonylContact O-C 3.56Å; V267-S278 VanDerWaalsContact O-CA 3.29Å; V267-S278 WeakPolarHBondContact O-CA 3.42Å; V267-R279 PolarHBondContact N-O 2.92Å; V267-R279 PolarHBondContact O-N 3.23Å; V267-F296 HydrophobicContact CB-CD1 4.27Å; V267-F296 HydrophobicContact CB-CD2 4.38Å; V267-F296 HydrophobicContact CB-CG 4.18Å; V267-F296 HydrophobicContact CG1-CB 4.47Å; V267-F296 HydrophobicContact CG1-CG 4.4Å; V267-F296 HydrophobicContact CG2-CD1 4.21Å; V267-F296 HydrophobicContact CG2-CD2 3.7Å; V267-F296 HydrophobicContact CG2-CE1 4.16Å; V267-F296 HydrophobicContact CG2-CE2 3.66Å; V267-F296 HydrophobicContact CG2-CG 3.98Å; V267-F296 HydrophobicContact CG2-CZ 3.89Å; V267-F298 HydrophobicContact CB-CZ 4.48Å; V267-F298 HydrophobicContact CG1-CE2 3.96Å; V267-F298 HydrophobicContact CG1-CZ 3.75Å; V267-I311 CarbonylContact C-O 3.41Å; V267-I311 WeakPolarHBondContact CA-O 3.45Å; V267-I312 HydrophobicContact CG2-CG1 4.41Å; V267-I312 HydrophobicContact CG2-CG2 4.41Å
268E95.8Very high85.3Confident17 Ų1756.8 Ų56.88%0.07928%0.278CS..EExtended strand (participates in β ladder)trans-120127.3179.9-50.2-166.715100110.3K266 R275 K277 L310 I311K266-E268 WeakPolarHBondContact CE-OE1 3.31Å; K266-E268 HydrophobicContact CG-CG 4.38Å; K266-E268 IonicContact NZ-OE1 3.88Å; K266-E268 PolarHBondContact NZ-OE1 2.95Å; E268-R275 HydrophobicContact CB-CG 4.32Å; E268-R275 IonicContact OE1-CZ 2.93Å; E268-R275 IonicContact OE1-NH1 3.65Å; E268-R275 PolarHBondContact OE1-NH1 3.34Å; E268-R275 WeakPolarHBondContact OE2-CD 3.33Å; E268-R275 IonicContact OE2-NH1 3.97Å; E268-K277 CarbonylContact C-O 3.59Å; E268-K277 WeakPolarHBondContact CA-O 3.4Å; E268-L310 CarbonylContact O-C 3.53Å; E268-L310 WeakPolarHBondContact O-CA 3.44Å; E268-I311 HydrophobicContact CB-CB 4.32Å; E268-I311 PolarHBondContact N-O 3.24Å; E268-I311 PolarHBondContact O-N 2.86Å
269L96.6Very high87.5Confident3 Ų354.1 Ų54.12%0.01626%0.263CS..EExtended strand (participates in β ladder)trans-90.5127.3166.4176.173000109L234 I276 K277 F298 L300 A308 L310L234-L269 HydrophobicContact CD2-CD1 4.44Å; L269-I276 HydrophobicContact CD2-CB 4.45Å; L269-I276 PolarHBondContact O-N 2.83Å; L269-K277 HydrophobicContact CB-CB 4.42Å; L269-K277 PolarHBondContact N-O 3.47Å; L269-K277 PolarHBondContact O-N 2.69Å; L269-F298 HydrophobicContact CB-CD1 3.65Å; L269-F298 HydrophobicContact CB-CE1 3.81Å; L269-F298 HydrophobicContact CB-CG 4.22Å; L269-F298 HydrophobicContact CB-CZ 4.47Å; L269-F298 HydrophobicContact CD2-CB 3.98Å; L269-F298 HydrophobicContact CD2-CD1 4Å; L269-F298 HydrophobicContact CD2-CG 4.2Å; L269-F298 HydrophobicContact CG-CD1 4.41Å; L269-L300 HydrophobicContact CD1-CD2 4.44Å; L269-A308 HydrophobicContact CD1-CB 4.37Å; L269-L310 HydrophobicContact CB-CD2 4.16Å; L269-L310 HydrophobicContact CD1-CD2 3.82Å
270C91.1Very high89.4Confident8 Ų858 Ų585%0.05428%0.276CS..EExtended strand (participates in β ladder)trans-120.6147.8177.4-65.60000110.9R274 A308 S309C270-R274 CarbonylContact C-O 3.51Å; C270-R274 VanDerWaalsContact CA-O 3.3Å; C270-R274 WeakPolarHBondContact CA-O 3.46Å; C270-A308 WeakPolarHBondContact O-CA 3.15Å; C270-S309 PolarHBondContact N-O 2.96Å; C270-S309 PolarHBondContact O-N 2.81Å
271L88.7Confident90.9Very high36 Ų3652 Ų5219%0.18825%0.252CS..EExtended strand (participates in β ladder)trans-119.7111.4166.4-69.4175.5000107.8T273 R274 I276 L300 K304 Q307 A308L271-T273 PolarHBondContact O-N 2.82Å; L271-R274 PolarHBondContact N-O 2.98Å; L271-R274 PolarHBondContact O-N 2.92Å; L271-I276 HydrophobicContact CB-CD1 4.27Å; L271-I276 HydrophobicContact CB-CG1 4.07Å; L271-I276 HydrophobicContact CD1-CD1 4.03Å; L271-I276 HydrophobicContact CD1-CG1 3.84Å; L271-I276 HydrophobicContact CG-CD1 4.29Å; L271-I276 HydrophobicContact CG-CG1 3.76Å; L271-L300 HydrophobicContact CD2-CD1 3.94Å; L271-K304 HydrophobicContact CD1-CD 3.95Å; L271-K304 HydrophobicContact CD2-CB 3.96Å; L271-Q307 WeakPolarHBondContact CA-O 3.47Å; L271-A308 HydrophobicContact CD2-CB 3.83Å
272G80.2Confident91.8Very high33 Ų3357 Ų5734%0.3428%0.277SS..THydrogen-bonded Turntrans57.9-124-166.700000110.8Q307G272-Q307 PolarHBondContact N-O 2.76Å
273T77.9Confident92.2Very high156 Ų15659.9 Ų59.996%0.95729%0.294SS*.THydrogen-bonded Turntrans-87.9-8.3177.259.60000113.5L271L271-T273 PolarHBondContact O-N 2.82Å
274R83.9Confident92.2Very high184 Ų18461.7 Ų61.769%0.69430%0.303SS*.EExtended strand (participates in β ladder)trans-92.5120.2-173.2-174.1-178.3175.5-1780.5111.3C270 L271 I276C270-R274 CarbonylContact C-O 3.51Å; C270-R274 VanDerWaalsContact CA-O 3.3Å; C270-R274 WeakPolarHBondContact CA-O 3.46Å; L271-R274 PolarHBondContact N-O 2.98Å; L271-R274 PolarHBondContact O-N 2.92Å; R274-I276 HydrophobicContact CG-CD1 4.06Å; R274-I276 PolarHBondContact O-N 2.83Å
275R92Very high91.8Very high142 Ų14267 Ų6754%0.53632%0.323SS..EExtended strand (participates in β ladder)trans-70.4122.2168.2-173.9173.967.5-159.2-8110.9E268E268-R275 HydrophobicContact CB-CG 4.32Å; E268-R275 IonicContact OE1-CZ 2.93Å; E268-R275 IonicContact OE1-NH1 3.65Å; E268-R275 PolarHBondContact OE1-NH1 3.34Å; E268-R275 WeakPolarHBondContact OE2-CD 3.33Å; E268-R275 IonicContact OE2-NH1 3.97Å
276I93.5Very high90.7Very high80 Ų8075.9 Ų75.941%0.4136%0.356SS..EExtended strand (participates in β ladder)trans-95.8-45.1-178.8-56.7-56.1000111.3L269 L271 R274L269-I276 HydrophobicContact CD2-CB 4.45Å; L269-I276 PolarHBondContact O-N 2.83Å; L271-I276 HydrophobicContact CB-CD1 4.27Å; L271-I276 HydrophobicContact CB-CG1 4.07Å; L271-I276 HydrophobicContact CD1-CD1 4.03Å; L271-I276 HydrophobicContact CD1-CG1 3.84Å; L271-I276 HydrophobicContact CG-CD1 4.29Å; L271-I276 HydrophobicContact CG-CG1 3.76Å; R274-I276 HydrophobicContact CG-CD1 4.06Å; R274-I276 PolarHBondContact O-N 2.83Å
277K95.6Very high89.7Confident70 Ų7075.5 Ų75.530%0.30436%0.358SS..EExtended strand (participates in β ladder)trans-149.9142-172.9-157175-167.6-172.60110.3E268 L269 F298E268-K277 CarbonylContact C-O 3.59Å; E268-K277 WeakPolarHBondContact CA-O 3.4Å; L269-K277 HydrophobicContact CB-CB 4.42Å; L269-K277 PolarHBondContact N-O 3.47Å; L269-K277 PolarHBondContact O-N 2.69Å; K277-F298 HydrophobicContact CB-CD1 4.09Å; K277-F298 HydrophobicContact CB-CE1 4.08Å; K277-F298 HydrophobicContact CD-CD1 3.84Å; K277-F298 HydrophobicContact CD-CE1 4.2Å; K277-F298 HydrophobicContact CG-CD1 4.33Å; K277-F298 HydrophobicContact CG-CE1 4.28Å
278S96.3Very high88.7Confident37 Ų3779.2 Ų79.226%0.25937%0.372SS..EExtended strand (participates in β ladder)trans-129.3146.2174.2-175.40000110.4K266 V267K266-S278 WeakPolarHBondContact CE-OG 3.21Å; V267-S278 CarbonylContact O-C 3.56Å; V267-S278 VanDerWaalsContact O-CA 3.29Å; V267-S278 WeakPolarHBondContact O-CA 3.42Å
279R96.9Very high88Confident115 Ų11580.5 Ų80.543%0.43438%0.383SS..EExtended strand (participates in β ladder)trans-139.9147.2177-67.5-64.7-176.6-101.119.5109.1K266 V267 F296 F298K266-R279 CarbonylContact C-O 3.52Å; K266-R279 WeakPolarHBondContact CA-O 3.46Å; V267-R279 PolarHBondContact N-O 2.92Å; V267-R279 PolarHBondContact O-N 3.23Å; R279-F296 HydrophobicContact CB-CD1 3.54Å; R279-F296 HydrophobicContact CB-CE1 3.9Å; R279-F296 HydrophobicContact CG-CD1 4.28Å; R279-F298 HydrophobicContact CG-CE1 4.49Å
280K95.8Very high87.6Confident117 Ų11780.4 Ų80.451%0.50938%0.383SS..EExtended strand (participates in β ladder)trans-111.8147.6173-69.2-172.3176-166.60109.4Y264 L265 K266 D320Y264-K280 HydrophobicContact CD2-CB 4.48Å; Y264-K280 HydrophobicContact CD2-CD 4.23Å; Y264-K280 HydrophobicContact CD2-CG 4.38Å; Y264-K280 HydrophobicContact CE2-CD 3.83Å; Y264-K280 HydrophobicContact CE2-CG 4.21Å; L265-K280 CarbonylContact O-C 3.55Å; L265-K280 WeakPolarHBondContact O-CA 3.08Å; K266-K280 HydrophobicContact CB-CG 4.48Å; K266-K280 HydrophobicContact CG-CG 4.29Å; K280-D320 IonicContact NZ-OD2 2.68Å
281S95Very high87.7Confident12 Ų1284.7 Ų84.78%0.08440%0.404CS..  trans-80.5174.5168.674.40000111.6L265 E294L265-S281 PolarHBondContact N-OG 2.9Å; L265-S281 PolarHBondContact O-N 3.35Å; S281-E294 WeakPolarHBondContact CA-OE2 3.45Å; S281-E294 WeakPolarHBondContact CB-OE2 3.38Å
282N93.7Very high87.9Confident112 Ų11283.7 Ų83.760%0.59940%0.398SS*.PPolyproline II helixtrans-62.4152.7159.8-60.1-61.4000110.7E294N282-E294 WeakPolarHBondContact CB-OE1 3.32Å; N282-E294 PolarHBondContact N-OE1 2.93Å; N282-E294 PolarHBondContact N-OE2 2.95Å; N282-E294 PolarHBondContact ND2-OE1 3.33Å
283T92.3Very high88.6Confident66 Ų6687.4 Ų87.441%0.40541%0.411SS..PPolyproline II helixtrans-90122.1176.2-56.10000110V263 S317V263-T283 CarbonylContact O-C 3.57Å; V263-T283 WeakPolarHBondContact O-CA 3.45Å; T283-S317 WeakPolarHBondContact CG2-OG 3.44Å
284I88.7Confident89.5Confident40 Ų4081.6 Ų81.621%0.20537%0.373CS..EExtended strand (participates in β ladder)trans-102.6127.4177-59.6175.4000108.6G262 V263 T287 P290 I291 F292G262-I284 CarbonylContact C-O 3.54Å; G262-I284 VanDerWaalsContact CA-O 3.22Å; G262-I284 WeakPolarHBondContact CA-O 3.25Å; V263-I284 PolarHBondContact N-O 2.85Å; V263-I284 PolarHBondContact O-N 3.07Å; I284-T287 HydrophobicContact CG2-CG2 3.64Å; I284-P290 HydrophobicContact CB-CB 3.95Å; I284-P290 HydrophobicContact CD1-CB 3.88Å; I284-P290 HydrophobicContact CG2-CB 3.88Å; I284-I291 VanDerWaalsContact CD1-C 3.43Å; I284-I291 WeakPolarHBondContact CD1-O 3.49Å; I284-F292 HydrophobicContact CD1-CB 4.48Å; I284-F292 HydrophobicContact CD1-CD1 3.56Å; I284-F292 HydrophobicContact CD1-CE1 3.82Å; I284-F292 HydrophobicContact CD1-CG 3.98Å; I284-F292 HydrophobicContact CD1-CZ 4.46Å; I284-F292 HydrophobicContact CG1-CD1 4.26Å; I284-F292 HydrophobicContact CG1-CE1 4.22Å
285R84.8Confident90.1Very high128 Ų12876 Ų7648%0.48336%0.361SS..EExtended strand (participates in β ladder)trans-102.5160.8-176.1-61.7-177.7-178.1158.25.5111.5F260 T287F260-R285 PolarHBondContact O-NE 3.39Å; R285-T287 VanDerWaalsContact C-N 3.34Å; R285-T287 PolarHBondContact O-N 2.8Å
286R72.1Confident90.4Very high186 Ų18669.7 Ų69.770%0.70234%0.338SS*.SBendtrans58.636.8165.9-56.6176.5179.9161.1-1.8114.8
287T75.7Confident90.5Very high43 Ų4369.5 Ų69.526%0.26434%0.337SS..  trans-152.7145.2174-178.80000111.3I284 R285 S289 P290I284-T287 HydrophobicContact CG2-CG2 3.64Å; R285-T287 VanDerWaalsContact C-N 3.34Å; R285-T287 PolarHBondContact O-N 2.8Å; T287-S289 PolarHBondContact OG1-N 2.8Å; T287-S289 PolarHBondContact OG1-O 2.9Å; T287-P290 HydrophobicContact CG2-CB 3.87Å
288R75.5Confident90.6Very high78 Ų7866.2 Ų66.229%0.29432%0.323SS..SBendtrans-87.8-12.6167.3-70.3-177.7166.8166.4-7.5112.7L244 L246 S247 W253 P290L244-R288 VanDerWaalsContact CB-O 3.24Å; L244-R288 WeakPolarHBondContact CB-O 3.25Å; L244-R288 VanDerWaalsContact CG-O 3.29Å; L244-R288 WeakPolarHBondContact CG-O 3.49Å; L244-R288 PolarHBondContact N-O 2.81Å; L246-R288 HydrophobicContact CD1-CG 4.16Å; L246-R288 HydrophobicContact CG-CG 4.44Å; S247-R288 PolarHBondContact OG-NH2 3Å; W253-R288 VanDerWaalsContact CE2-NE 3.34Å; W253-R288 HydrophobicContact CZ2-CG 4.02Å; R288-P290 VanDerWaalsContact O-CD 3.32Å; R288-P290 WeakPolarHBondContact O-CD 3.45Å
289S81.9Confident90.6Very high45 Ų4572.1 Ų72.132%0.31534%0.344SS..SBendtrans-12466.1-179.2-55.40000109.7A241 D243 T287A241-S289 CarbonylContact O-C 3.41Å; A241-S289 VanDerWaalsContact O-C 3.25Å; A241-S289 WeakPolarHBondContact O-CA 3.4Å; A241-S289 WeakPolarHBondContact O-CB 3.4Å; D243-S289 PolarHBondContact N-OG 2.74Å; T287-S289 PolarHBondContact OG1-N 2.8Å; T287-S289 PolarHBondContact OG1-O 2.9Å
290P88.8Confident90.5Very high0 Ų066.9 Ų66.90%033%0.325CS..  trans-66.6137-177.927.2-35.1000111.9Q240 A241 L244 V263 I284 T287 R288 F292Q240-P290 CarbonylContact C-O 3.56Å; Q240-P290 WeakPolarHBondContact CA-O 3.04Å; Q240-P290 WeakPolarHBondContact CB-O 3.38Å; A241-P290 HydrophobicContact CB-CG 3.99Å; A241-P290 PolarHBondContact N-O 2.74Å; L244-P290 HydrophobicContact CD1-CG 3.67Å; V263-P290 HydrophobicContact CB-CG 4.44Å; V263-P290 HydrophobicContact CG1-CG 4.4Å; I284-P290 HydrophobicContact CB-CB 3.95Å; I284-P290 HydrophobicContact CD1-CB 3.88Å; I284-P290 HydrophobicContact CG2-CB 3.88Å; T287-P290 HydrophobicContact CG2-CB 3.87Å; R288-P290 VanDerWaalsContact O-CD 3.32Å; R288-P290 WeakPolarHBondContact O-CD 3.45Å; P290-F292 HydrophobicContact CB-CD2 4.44Å; P290-F292 HydrophobicContact CB-CE1 4.45Å; P290-F292 HydrophobicContact CB-CE2 3.81Å; P290-F292 HydrophobicContact CB-CZ 3.8Å; P290-F292 HydrophobicContact CG-CD2 4.48Å; P290-F292 HydrophobicContact CG-CE2 3.53Å; P290-F292 HydrophobicContact CG-CZ 3.68Å
291I92.4Very high90.4Very high99 Ų9962.7 Ų62.751%0.50831%0.31SS..EExtended strand (participates in β ladder)trans-102104.7172.7-57.2174.8000108.2S239 Q240 I284 N293S239-I291 CarbonylContact O-C 3.58Å; S239-I291 WeakPolarHBondContact O-CA 3.18Å; Q240-I291 HydrophobicContact CB-CB 4.42Å; Q240-I291 HydrophobicContact CB-CG1 4.1Å; I284-I291 VanDerWaalsContact CD1-C 3.43Å; I284-I291 WeakPolarHBondContact CD1-O 3.49Å; I291-N293 VanDerWaalsContact CG2-ND2 3.32Å; I291-N293 WeakPolarHBondContact CG2-ND2 3.23Å
292F93.7Very high90.3Very high14 Ų1464 Ų646%0.06132%0.319CS..EExtended strand (participates in β ladder)trans-82.5-52.4-179.4-63.3-80.7000112.2I238 S239 A241 V263 L265 I284 P290 E294I238-F292 HydrophobicContact CG2-CD2 4.25Å; S239-F292 PolarHBondContact O-N 3.37Å; A241-F292 HydrophobicContact CB-CE2 4.44Å; V263-F292 HydrophobicContact CG1-CZ 4.16Å; L265-F292 HydrophobicContact CD1-CB 4.41Å; L265-F292 HydrophobicContact CD1-CD1 3.92Å; L265-F292 HydrophobicContact CD1-CD2 3.62Å; L265-F292 HydrophobicContact CD1-CE1 4.05Å; L265-F292 HydrophobicContact CD1-CE2 3.72Å; L265-F292 HydrophobicContact CD1-CG 3.71Å; L265-F292 HydrophobicContact CD1-CZ 3.95Å; L265-F292 HydrophobicContact CD2-CE1 4.47Å; L265-F292 HydrophobicContact CD2-CE2 3.93Å; L265-F292 HydrophobicContact CD2-CZ 3.84Å; L265-F292 HydrophobicContact CG-CD1 4.1Å; L265-F292 HydrophobicContact CG-CD2 4.22Å; L265-F292 HydrophobicContact CG-CE1 3.74Å; L265-F292 HydrophobicContact CG-CE2 3.83Å; L265-F292 HydrophobicContact CG-CG 4.33Å; L265-F292 HydrophobicContact CG-CZ 3.59Å; I284-F292 HydrophobicContact CD1-CB 4.48Å; I284-F292 HydrophobicContact CD1-CD1 3.56Å; I284-F292 HydrophobicContact CD1-CE1 3.82Å; I284-F292 HydrophobicContact CD1-CG 3.98Å; I284-F292 HydrophobicContact CD1-CZ 4.46Å; I284-F292 HydrophobicContact CG1-CD1 4.26Å; I284-F292 HydrophobicContact CG1-CE1 4.22Å; P290-F292 HydrophobicContact CB-CD2 4.44Å; P290-F292 HydrophobicContact CB-CE1 4.45Å; P290-F292 HydrophobicContact CB-CE2 3.81Å; P290-F292 HydrophobicContact CB-CZ 3.8Å; P290-F292 HydrophobicContact CG-CD2 4.48Å; P290-F292 HydrophobicContact CG-CE2 3.53Å; P290-F292 HydrophobicContact CG-CZ 3.68Å; F292-E294 PolarHBondContact O-N 2.68Å
293N94.4Very high90.2Very high112 Ų11265.5 Ų65.560%0.59933%0.326SS*.EExtended strand (participates in β ladder)trans48.741.3-170.9-65.9-28.2000113.3I238 S239 I291I238-N293 WeakPolarHBondContact O-CA 3.39Å; I238-N293 PolarHBondContact O-N 3.12Å; S239-N293 WeakPolarHBondContact CA-OD1 3.23Å; S239-N293 WeakPolarHBondContact CB-OD1 2.96Å; S239-N293 PolarHBondContact O-N 3.11Å; S239-N293 PolarHBondContact O-OD1 3.11Å; I291-N293 VanDerWaalsContact CG2-ND2 3.32Å; I291-N293 WeakPolarHBondContact CG2-ND2 3.23Å
294E96.4Very high90.2Very high34 Ų3467.1 Ų67.116%0.15933%0.328CS..EExtended strand (participates in β ladder)trans-111.3138.7-177.1-72.6-173.4-138.200112.2T237 I238 S281 N282 F292 F296T237-E294 WeakPolarHBondContact CA-O 3.31Å; I238-E294 PolarHBondContact N-O 3.47Å; I238-E294 PolarHBondContact O-N 3.41Å; I238-E294 VanDerWaalsContact O-N 3.09Å; S281-E294 WeakPolarHBondContact CA-OE2 3.45Å; S281-E294 WeakPolarHBondContact CB-OE2 3.38Å; N282-E294 WeakPolarHBondContact CB-OE1 3.32Å; N282-E294 PolarHBondContact N-OE1 2.93Å; N282-E294 PolarHBondContact N-OE2 2.95Å; N282-E294 PolarHBondContact ND2-OE1 3.33Å; F292-E294 PolarHBondContact O-N 2.68Å; E294-F296 HydrophobicContact CB-CE2 4.25Å; E294-F296 HydrophobicContact CB-CZ 4.29Å
295S97Very high90.2Very high65 Ų6565.6 Ų65.646%0.45532%0.32SS..EExtended strand (participates in β ladder)trans-110.7125.9179.1-58.90000112.2L236 T237L236-S295 CarbonylContact O-C 3.53Å; L236-S295 WeakPolarHBondContact O-CA 3Å; T237-S295 PolarHBondContact OG1-OG 2.87Å
296F97.6Very high90.3Very high11 Ų1164.4 Ų64.45%0.04832%0.324CS..EExtended strand (participates in β ladder)trans-103.8117.8176.9-57.3-82.4000110.1T235 L236 I238 V267 R279 E294 F298T235-F296 WeakPolarHBondContact CA-O 3.44Å; L236-F296 PolarHBondContact N-O 3.14Å; L236-F296 PolarHBondContact O-N 2.9Å; I238-F296 HydrophobicContact CD1-CD2 4.33Å; I238-F296 HydrophobicContact CD1-CE2 3.97Å; I238-F296 HydrophobicContact CG1-CE2 4.36Å; V267-F296 HydrophobicContact CB-CD1 4.27Å; V267-F296 HydrophobicContact CB-CD2 4.38Å; V267-F296 HydrophobicContact CB-CG 4.18Å; V267-F296 HydrophobicContact CG1-CB 4.47Å; V267-F296 HydrophobicContact CG1-CG 4.4Å; V267-F296 HydrophobicContact CG2-CD1 4.21Å; V267-F296 HydrophobicContact CG2-CD2 3.7Å; V267-F296 HydrophobicContact CG2-CE1 4.16Å; V267-F296 HydrophobicContact CG2-CE2 3.66Å; V267-F296 HydrophobicContact CG2-CG 3.98Å; V267-F296 HydrophobicContact CG2-CZ 3.89Å; R279-F296 HydrophobicContact CB-CD1 3.54Å; R279-F296 HydrophobicContact CB-CE1 3.9Å; R279-F296 HydrophobicContact CG-CD1 4.28Å; E294-F296 HydrophobicContact CB-CE2 4.25Å; E294-F296 HydrophobicContact CB-CZ 4.29Å; F296-F298 HydrophobicContact CB-CD2 4.49Å; F296-F298 HydrophobicContact CB-CE2 3.6Å; F296-F298 HydrophobicContact CB-CZ 4.03Å
297N96.9Very high91.1Very high75 Ų7560.7 Ų60.740%0.40131%0.314SS..EExtended strand (participates in β ladder)trans-105127.1-177.1-66.5-92.2000110.8R233 T235R233-N297 WeakPolarHBondContact CD-OD1 3.32Å; T235-N297 PolarHBondContact OG1-OD1 3.28Å
298F96.8Very high91.9Very high2 Ų258.7 Ų58.71%0.00930%0.302CS..EExtended strand (participates in β ladder)trans-124134.1-179.9-60.3-82.6000110.7R233 L234 V267 L269 K277 R279 F296 L310R233-F298 WeakPolarHBondContact CA-O 3.47Å; L234-F298 HydrophobicContact CB-CB 4.4Å; L234-F298 PolarHBondContact N-O 2.68Å; L234-F298 PolarHBondContact O-N 2.91Å; V267-F298 HydrophobicContact CB-CZ 4.48Å; V267-F298 HydrophobicContact CG1-CE2 3.96Å; V267-F298 HydrophobicContact CG1-CZ 3.75Å; L269-F298 HydrophobicContact CB-CD1 3.65Å; L269-F298 HydrophobicContact CB-CE1 3.81Å; L269-F298 HydrophobicContact CB-CG 4.22Å; L269-F298 HydrophobicContact CB-CZ 4.47Å; L269-F298 HydrophobicContact CD2-CB 3.98Å; L269-F298 HydrophobicContact CD2-CD1 4Å; L269-F298 HydrophobicContact CD2-CG 4.2Å; L269-F298 HydrophobicContact CG-CD1 4.41Å; K277-F298 HydrophobicContact CB-CD1 4.09Å; K277-F298 HydrophobicContact CB-CE1 4.08Å; K277-F298 HydrophobicContact CD-CD1 3.84Å; K277-F298 HydrophobicContact CD-CE1 4.2Å; K277-F298 HydrophobicContact CG-CD1 4.33Å; K277-F298 HydrophobicContact CG-CE1 4.28Å; R279-F298 HydrophobicContact CG-CE1 4.49Å; F296-F298 HydrophobicContact CB-CD2 4.49Å; F296-F298 HydrophobicContact CB-CE2 3.6Å; F296-F298 HydrophobicContact CB-CZ 4.03Å; F298-L310 HydrophobicContact CD2-CD2 3.98Å; F298-L310 HydrophobicContact CE2-CD2 3.79Å; F298-L310 HydrophobicContact CZ-CD2 4.33Å
299K95.9Very high92.6Very high160 Ų16055.1 Ų55.170%0.69629%0.289SS*.EExtended strand (participates in β ladder)trans-82.5122.1168.8-172.9176.3-178.2178.80108.1E232E232-K299 HydrophobicContact CB-CG 4.47Å; E232-K299 CarbonylContact O-C 3.54Å; E232-K299 VanDerWaalsContact O-CA 3.3Å; E232-K299 WeakPolarHBondContact O-CA 3.46Å; E232-K299 VanDerWaalsContact OE2-CE 3.25Å; E232-K299 WeakPolarHBondContact OE2-CE 3.41Å; E232-K299 IonicContact OE2-NZ 2.77Å
300L94.9Very high93.3Very high6 Ų653 Ų533%0.03127%0.274CS..  trans-150.6119.4-176-179.563.7000108.7Y227 E232 L234 L269 L271 K304 L305 A308Y227-L300 WeakPolarHBondContact CE2-O 3.42Å; Y227-L300 PolarHBondContact OH-O 3.04Å; E232-L300 CarbonylContact C-O 3.46Å; E232-L300 WeakPolarHBondContact CB-O 3.19Å; E232-L300 PolarHBondContact O-N 2.93Å; L234-L300 HydrophobicContact CB-CD2 4.48Å; L234-L300 HydrophobicContact CD2-CD2 3.95Å; L269-L300 HydrophobicContact CD1-CD2 4.44Å; L271-L300 HydrophobicContact CD2-CD1 3.94Å; L300-K304 HydrophobicContact CD1-CB 3.62Å; L300-K304 HydrophobicContact CD1-CD 4.47Å; L300-K304 HydrophobicContact CG-CB 4.48Å; L300-L305 HydrophobicContact CD2-CD2 3.68Å; L300-L305 HydrophobicContact CD2-CG 4.43Å; L300-L305 HydrophobicContact CG-CD2 4.41Å; L300-A308 HydrophobicContact CD1-CB 4.36Å; L300-A308 HydrophobicContact CD2-CB 3.67Å
301S94.2Very high93.5Very high28 Ų2854.9 Ų54.920%0.19628%0.284CS..  trans-70.2151.4176.5-56.80000111.5E232 D303 K304E232-S301 WeakPolarHBondContact OE1-CA 3.39Å; E232-S301 VanDerWaalsContact OE1-CB 3.24Å; E232-S301 WeakPolarHBondContact OE1-CB 3.42Å; E232-S301 PolarHBondContact OE1-OG 2.75Å; E232-S301 PolarHBondContact OE2-OG 3.37Å; S301-D303 VanDerWaalsContact C-N 3.3Å; S301-D303 PolarHBondContact O-N 3.28Å; S301-K304 PolarHBondContact O-N 3Å; S301-K304 VanDerWaalsContact O-N 3.07Å
302P92Very high93.7Very high40 Ų4050.2 Ų50.226%0.2626%0.26SS..G310 helixtrans-56.4-41.2-176.7-25.635.6000113.5Y227 N229 K304 L305Y227-P302 WeakPolarHBondContact OH-CD 3.35Å; Y227-P302 WeakPolarHBondContact OH-CG 3.47Å; N229-P302 WeakPolarHBondContact OD1-CG 3.43Å; P302-K304 PolarHBondContact O-N 2.73Å; P302-L305 WeakPolarHBondContact O-CB 3.36Å; P302-L305 PolarHBondContact O-N 3.26Å
303D92Very high93.7Very high143 Ų14350.8 Ų50.877%0.76526%0.263SS*.G310 helixtrans-63-12.7-178.1-46.2-44.3000113.5S301S301-D303 VanDerWaalsContact C-N 3.3Å; S301-D303 PolarHBondContact O-N 3.28Å
304K92.2Very high93.5Very high100 Ų10045.5 Ų45.544%0.43524%0.235SC..G310 helixtrans-103.6-5.9-178.6-63.7178.8179.9172.70113L271 L300 S301 P302 D306 Q307 A308L271-K304 HydrophobicContact CD1-CD 3.95Å; L271-K304 HydrophobicContact CD2-CB 3.96Å; L300-K304 HydrophobicContact CD1-CB 3.62Å; L300-K304 HydrophobicContact CD1-CD 4.47Å; L300-K304 HydrophobicContact CG-CB 4.48Å; S301-K304 PolarHBondContact O-N 3Å; S301-K304 VanDerWaalsContact O-N 3.07Å; P302-K304 PolarHBondContact O-N 2.73Å; K304-D306 VanDerWaalsContact C-N 3.35Å; K304-D306 PolarHBondContact O-N 2.89Å; K304-Q307 PolarHBondContact O-N 2.81Å; K304-A308 WeakPolarHBondContact O-CB 3.19Å; K304-A308 PolarHBondContact O-N 2.95Å; K304-A308 VanDerWaalsContact O-N 3.11Å
305L90.2Very high93.2Very high8 Ų844.1 Ų44.14%0.04223%0.229CC..SBendtrans-60.3-41.8-176.2-78.4168000112.6Y227 L300 P302 Q307 A308 W342 M345 M346Y227-L305 HydrophobicContact CD1-CD1 3.93Å; Y227-L305 HydrophobicContact CD2-CD2 4Å; Y227-L305 HydrophobicContact CE1-CD1 3.67Å; Y227-L305 HydrophobicContact CE2-CD1 4.38Å; Y227-L305 HydrophobicContact CE2-CD2 4.03Å; Y227-L305 HydrophobicContact CE2-CG 4.49Å; Y227-L305 HydrophobicContact CG-CD1 4.39Å; Y227-L305 HydrophobicContact CG-CD2 4.32Å; L300-L305 HydrophobicContact CD2-CD2 3.68Å; L300-L305 HydrophobicContact CD2-CG 4.43Å; L300-L305 HydrophobicContact CG-CD2 4.41Å; P302-L305 WeakPolarHBondContact O-CB 3.36Å; P302-L305 PolarHBondContact O-N 3.26Å; L305-Q307 PolarHBondContact O-N 3.09Å; L305-A308 PolarHBondContact O-N 3.03Å; L305-A308 VanDerWaalsContact O-N 3.12Å; L305-W342 HydrophobicContact CD2-CZ2 4.29Å; L305-M345 HydrophobicContact CD2-CE 4.46Å; L305-M346 HydrophobicContact CB-SD 4.1Å
306D86.8Confident92.6Very high104 Ų10441.8 Ų41.856%0.55621%0.211SC*.THydrogen-bonded Turntrans-66-28.7-179.5-69.1-31000113.1K304K304-D306 VanDerWaalsContact C-N 3.35Å; K304-D306 PolarHBondContact O-N 2.89Å
307Q88Confident92.1Very high108 Ų10841.9 Ų41.951%0.50521%0.213SC..THydrogen-bonded Turntrans-93.2-1.2178.9-60.517838.600112.5L271 G272 K304 L305 F333L271-Q307 WeakPolarHBondContact CA-O 3.47Å; G272-Q307 PolarHBondContact N-O 2.76Å; K304-Q307 PolarHBondContact O-N 2.81Å; L305-Q307 PolarHBondContact O-N 3.09Å; Q307-F333 VanDerWaalsContact C-CE2 3.45Å; Q307-F333 VanDerWaalsContact O-CE2 3.31Å; Q307-F333 WeakPolarHBondContact O-CE2 3.39Å; Q307-F333 VanDerWaalsContact O-CZ 3.23Å; Q307-F333 WeakPolarHBondContact O-CZ 3.48Å
308A91.7Very high91.3Very high0 Ų045 Ų450%022%0.223CC..EExtended strand (participates in β ladder)trans-91.7145.3-176.700000112.6L269 C270 L271 L300 K304 L305 G329 G330 F333 W342L269-A308 HydrophobicContact CD1-CB 4.37Å; C270-A308 WeakPolarHBondContact O-CA 3.15Å; L271-A308 HydrophobicContact CD2-CB 3.83Å; L300-A308 HydrophobicContact CD1-CB 4.36Å; L300-A308 HydrophobicContact CD2-CB 3.67Å; K304-A308 WeakPolarHBondContact O-CB 3.19Å; K304-A308 PolarHBondContact O-N 2.95Å; K304-A308 VanDerWaalsContact O-N 3.11Å; L305-A308 PolarHBondContact O-N 3.03Å; L305-A308 VanDerWaalsContact O-N 3.12Å; A308-G329 WeakPolarHBondContact O-CA 3.43Å; A308-G330 PolarHBondContact O-N 2.94Å; A308-F333 WeakPolarHBondContact O-CD2 3.34Å; A308-W342 HydrophobicContact CB-CH2 4.29Å; A308-W342 HydrophobicContact CB-CZ2 4.1Å
309S91.6Very high90.3Very high4 Ų449.2 Ų49.23%0.02825%0.251CS..EExtended strand (participates in β ladder)trans-139147.5166.251.80000111.1C270 L328C270-S309 PolarHBondContact N-O 2.96Å; C270-S309 PolarHBondContact O-N 2.81Å; S309-L328 CarbonylContact C-O 3.45Å; S309-L328 VanDerWaalsContact CA-O 3.25Å; S309-L328 WeakPolarHBondContact CA-O 3.37Å; S309-L328 WeakPolarHBondContact CB-O 3.37Å
310L96.2Very high89.6Confident0 Ų046.7 Ų46.70%025%0.245CC..EExtended strand (participates in β ladder)trans-104.5120.3168-66.5173.1000108L225 L234 L236 E268 L269 F298 I312 I327 L328 W342L225-L310 HydrophobicContact CD2-CD1 3.83Å; L234-L310 HydrophobicContact CD2-CD1 3.94Å; L234-L310 HydrophobicContact CD2-CD2 4.28Å; L234-L310 HydrophobicContact CD2-CG 4.18Å; L234-L310 HydrophobicContact CG-CD1 4.43Å; L236-L310 HydrophobicContact CB-CD1 4Å; L236-L310 HydrophobicContact CD2-CD1 4.19Å; E268-L310 CarbonylContact O-C 3.53Å; E268-L310 WeakPolarHBondContact O-CA 3.44Å; L269-L310 HydrophobicContact CB-CD2 4.16Å; L269-L310 HydrophobicContact CD1-CD2 3.82Å; F298-L310 HydrophobicContact CD2-CD2 3.98Å; F298-L310 HydrophobicContact CE2-CD2 3.79Å; F298-L310 HydrophobicContact CZ-CD2 4.33Å; L310-I312 HydrophobicContact CB-CD1 4.19Å; L310-I327 WeakPolarHBondContact O-CA 3.3Å; L310-L328 HydrophobicContact CB-CB 4.4Å; L310-L328 PolarHBondContact N-O 2.89Å; L310-L328 PolarHBondContact O-N 3.31Å; L310-W342 HydrophobicContact CD1-CZ3 4.1Å; L310-W342 HydrophobicContact CG-CZ3 4.25Å
311I93.4Very high89.2Confident40 Ų4052.7 Ų52.721%0.20527%0.27CS..EExtended strand (participates in β ladder)trans-102.8115.3172.6-54.6176.5000107.3V267 E268 L313 I327V267-I311 CarbonylContact C-O 3.41Å; V267-I311 WeakPolarHBondContact CA-O 3.45Å; E268-I311 HydrophobicContact CB-CB 4.32Å; E268-I311 PolarHBondContact N-O 3.24Å; E268-I311 PolarHBondContact O-N 2.86Å; I311-L313 HydrophobicContact CG2-CD2 3.82Å; I311-L313 HydrophobicContact CG2-CG 4.13Å; I311-I327 HydrophobicContact CG1-CG1 4.43Å
312I95.9Very high88.8Confident0 Ų054.6 Ų54.60%028%0.281CS..EExtended strand (participates in β ladder)trans-103.3115.7176.5-55.885.9000107.5L221 L236 I238 L265 V267 L310 R325 L326 L328L221-I312 HydrophobicContact CD2-CG2 3.75Å; L236-I312 HydrophobicContact CD2-CD1 4.06Å; L236-I312 HydrophobicContact CD2-CG1 3.75Å; I238-I312 HydrophobicContact CD1-CG1 4.22Å; I238-I312 HydrophobicContact CD1-CG2 3.82Å; L265-I312 HydrophobicContact CD2-CG2 4.44Å; V267-I312 HydrophobicContact CG2-CG1 4.41Å; V267-I312 HydrophobicContact CG2-CG2 4.41Å; L310-I312 HydrophobicContact CB-CD1 4.19Å; I312-R325 CarbonylContact O-C 3.47Å; I312-R325 VanDerWaalsContact O-CA 3.25Å; I312-R325 WeakPolarHBondContact O-CA 3.32Å; I312-L326 HydrophobicContact CB-CB 4.3Å; I312-L326 HydrophobicContact CD1-CB 4.45Å; I312-L326 HydrophobicContact CD1-CD2 4.34Å; I312-L326 HydrophobicContact CD1-CG 4.29Å; I312-L326 PolarHBondContact N-O 3.17Å; I312-L326 PolarHBondContact O-N 3.41Å; I312-L328 HydrophobicContact CD1-CD1 4.23Å; I312-L328 HydrophobicContact CD1-CG 4.18Å
313L92.8Very high88.3Confident27 Ų2754 Ų5414%0.14128%0.275CS..EExtended strand (participates in β ladder)trans-104.6126.6175.3-54.5173.6000109.3L265 K266 I311 V322 R325L265-L313 CarbonylContact C-O 3.58Å; L265-L313 WeakPolarHBondContact CA-O 3.29Å; K266-L313 HydrophobicContact CB-CB 4.24Å; K266-L313 HydrophobicContact CD-CD1 4.27Å; K266-L313 PolarHBondContact N-O 3.5Å; K266-L313 PolarHBondContact O-N 3.06Å; I311-L313 HydrophobicContact CG2-CD2 3.82Å; I311-L313 HydrophobicContact CG2-CG 4.13Å; L313-V322 HydrophobicContact CB-CG1 4.44Å; L313-V322 HydrophobicContact CD1-CG2 4.45Å; L313-V322 HydrophobicContact CD2-CG1 4.26Å; L313-R325 HydrophobicContact CD2-CB 3.74Å
314V91Very high87.9Confident1 Ų147.5 Ų47.51%0.00624%0.241CC..EExtended strand (participates in β ladder)trans-88.3116.8169.7-175.80000107.4L244 V263 L265 I323 A324 L359L244-V314 HydrophobicContact CD1-CG1 3.98Å; L244-V314 HydrophobicContact CD2-CG1 4.15Å; V263-V314 HydrophobicContact CG1-CG1 3.56Å; L265-V314 HydrophobicContact CD2-CB 4.41Å; L265-V314 HydrophobicContact CD2-CG2 3.84Å; V314-I323 PolarHBondContact O-N 3.31Å; V314-A324 HydrophobicContact CB-CB 4.15Å; V314-A324 HydrophobicContact CG2-CB 4.36Å; V314-A324 PolarHBondContact N-O 2.8Å; V314-A324 PolarHBondContact O-N 3.28Å; V314-L359 HydrophobicContact CG2-CD1 3.85Å; V314-L359 HydrophobicContact CG2-CD2 4.1Å
315C90.1Very high87.8Confident4 Ų448.1 Ų48.13%0.02724%0.241CC..EExtended strand (participates in β ladder)trans-115.2138.3-175.8-60.40000111.2V263 Y264 K321V263-C315 CarbonylContact C-O 3.48Å; V263-C315 VanDerWaalsContact CA-O 3.31Å; V263-C315 WeakPolarHBondContact CA-O 3.35Å; Y264-C315 HydrophobicContact CD1-CB 3.98Å; Y264-C315 HydrophobicContact CD2-CB 4.08Å; Y264-C315 HydrophobicContact CE1-CB 3.5Å; Y264-C315 HydrophobicContact CE2-CB 3.57Å; Y264-C315 HydrophobicContact CG-CB 4.25Å; Y264-C315 PolarHBondContact N-O 2.99Å; Y264-C315 PolarHBondContact O-N 3.11Å; Y264-C315 WeakPolarHBondContact OH-CB 3.33Å; C315-K321 CarbonylContact C-O 3.54Å; C315-K321 VanDerWaalsContact CA-O 3.24Å; C315-K321 WeakPolarHBondContact CA-O 3.39Å
316Q85.3Confident87.9Confident17 Ų1748.1 Ų48.18%0.07924%0.241CC..EExtended strand (participates in β ladder)trans-80.5139.6160.3-163.1159.355.600108.5H256 A261 G262 P319 D320 K321 I323H256-Q316 PolarHBondContact CE1-NE2 2.8Å; H256-Q316 PolarHBondContact CE1-OE1 2.9Å; H256-Q316 PolarHBondContact ND1-NE2 2.9Å; H256-Q316 PolarHBondContact NE2-NE2 2.84Å; A261-Q316 HydrophobicContact CB-CG 4.45Å; G262-Q316 CarbonylContact O-C 3.6Å; Q316-P319 CarbonylContact C-O 3.56Å; Q316-D320 VanDerWaalsContact O-CA 3.23Å; Q316-D320 WeakPolarHBondContact O-CA 3.42Å; Q316-K321 HydrophobicContact CB-CB 4.46Å; Q316-K321 PolarHBondContact N-O 3.34Å; Q316-K321 PolarHBondContact O-N 2.83Å; Q316-I323 HydrophobicContact CB-CD1 3.62Å; Q316-I323 HydrophobicContact CB-CG1 3.92Å; Q316-I323 HydrophobicContact CG-CD1 4.41Å
317S85.8Confident88.2Confident12 Ų1246 Ų468%0.08423%0.229CC..THydrogen-bonded Turntrans-95.2144.716855.80000110.1A261 G262 T283 P319A261-S317 WeakPolarHBondContact CA-O 3.23Å; A261-S317 VanDerWaalsContact CB-O 3.27Å; A261-S317 WeakPolarHBondContact CB-O 3.49Å; G262-S317 WeakPolarHBondContact CA-OG 3.37Å; G262-S317 PolarHBondContact N-OG 3.04Å; G262-S317 PolarHBondContact O-N 3.34Å; G262-S317 PolarHBondContact O-OG 2.81Å; T283-S317 WeakPolarHBondContact CG2-OG 3.44Å; S317-P319 CarbonylContact C-O 3.55Å
318K79.9Confident88.4Confident140 Ų14040.8 Ų40.861%0.60921%0.205SC*.THydrogen-bonded Turntrans57.371.8174.7-56-178.4178.2-174.50113.9
319P76.1Confident88.3Confident92 Ų9240.8 Ų40.860%0.59721%0.205SC*.THydrogen-bonded Turncis-83.1155432.8-34.5000112.7Q316 S317 K321Q316-P319 CarbonylContact C-O 3.56Å; S317-P319 CarbonylContact C-O 3.55Å; P319-K321 PolarHBondContact O-N 2.83Å
320D82Confident87.9Confident107 Ų10740.7 Ų40.757%0.57220%0.204SC*.THydrogen-bonded Turntrans-65.8102.4172.6-83.616.1000109.1Y264 K280 Q316Y264-D320 PolarHBondContact OH-OD2 2.98Å; K280-D320 IonicContact NZ-OD2 2.68Å; Q316-D320 VanDerWaalsContact O-CA 3.23Å; Q316-D320 WeakPolarHBondContact O-CA 3.42Å
321K85Confident86.9Confident131 Ų13145.1 Ų45.157%0.5723%0.231SC*.EExtended strand (participates in β ladder)trans-132.2132.9-178.2-175.7-175.1174-170.40109.7C315 Q316 P319 I323C315-K321 CarbonylContact C-O 3.54Å; C315-K321 VanDerWaalsContact CA-O 3.24Å; C315-K321 WeakPolarHBondContact CA-O 3.39Å; Q316-K321 HydrophobicContact CB-CB 4.46Å; Q316-K321 PolarHBondContact N-O 3.34Å; Q316-K321 PolarHBondContact O-N 2.83Å; P319-K321 PolarHBondContact O-N 2.83Å; K321-I323 PolarHBondContact O-N 3.12Å
322V86.2Confident86.1Confident68 Ų6849.8 Ų49.841%0.41225%0.253SS..EExtended strand (participates in β ladder)trans-73.8125.5169-179.50000108.1L313L313-V322 HydrophobicContact CB-CG1 4.44Å; L313-V322 HydrophobicContact CD1-CG2 4.45Å; L313-V322 HydrophobicContact CD2-CG1 4.26Å
323I81.9Confident85.3Confident28 Ų2852.6 Ų52.614%0.14427%0.266CS..EExtended strand (participates in β ladder)trans-100.7-39.9179.7-47.9174.9000109.7D245 L246 V314 Q316 K321D245-I323 VanDerWaalsContact O-CG2 3.23Å; D245-I323 WeakPolarHBondContact O-CG2 3.33Å; L246-I323 HydrophobicContact CD2-CD1 3.27Å; V314-I323 PolarHBondContact O-N 3.31Å; Q316-I323 HydrophobicContact CB-CD1 3.62Å; Q316-I323 HydrophobicContact CB-CG1 3.92Å; Q316-I323 HydrophobicContact CG-CD1 4.41Å; K321-I323 PolarHBondContact O-N 3.12Å
324A84.7Confident84.6Confident7 Ų751.7 Ų51.76%0.05826%0.262CS..EExtended strand (participates in β ladder)trans-154.1166-177.200000111.2V314 L359 T360V314-A324 HydrophobicContact CB-CB 4.15Å; V314-A324 HydrophobicContact CG2-CB 4.36Å; V314-A324 PolarHBondContact N-O 2.8Å; V314-A324 PolarHBondContact O-N 3.28Å; A324-L359 HydrophobicContact CB-CB 3.73Å; A324-L359 HydrophobicContact CB-CD1 4.16Å; A324-L359 HydrophobicContact CB-CG 4.39Å; A324-T360 CarbonylContact C-O 3.59Å; A324-T360 WeakPolarHBondContact CA-O 3.41Å
325R89.6Confident84.2Confident113 Ų11358.8 Ų58.843%0.42629%0.288SS..EExtended strand (participates in β ladder)trans-142.5148.6-179.971.3-179.4-175.7-121.52.9112I312 L313 T360 E361I312-R325 CarbonylContact O-C 3.47Å; I312-R325 VanDerWaalsContact O-CA 3.25Å; I312-R325 WeakPolarHBondContact O-CA 3.32Å; L313-R325 HydrophobicContact CD2-CB 3.74Å; R325-T360 WeakPolarHBondContact CG-O 2.9Å; R325-T360 WeakPolarHBondContact CG-OG1 3.25Å; R325-T360 PolarHBondContact N-O 3.05Å; R325-T360 PolarHBondContact NE-OG1 3.06Å; R325-T360 PolarHBondContact O-N 3.41Å; R325-T360 PolarHBondContact O-OG1 3.09Å; R325-E361 PolarHBondContact NH1-O 3.06Å
326L92.6Very high84.2Confident7 Ų765.3 Ų65.34%0.03732%0.323CS..EExtended strand (participates in β ladder)trans-131.7140.1167.4173.164.8000109L221 I312 L328 P338 H357 L359L221-L326 HydrophobicContact CD2-CD2 4.22Å; I312-L326 HydrophobicContact CB-CB 4.3Å; I312-L326 HydrophobicContact CD1-CB 4.45Å; I312-L326 HydrophobicContact CD1-CD2 4.34Å; I312-L326 HydrophobicContact CD1-CG 4.29Å; I312-L326 PolarHBondContact N-O 3.17Å; I312-L326 PolarHBondContact O-N 3.41Å; L326-L328 HydrophobicContact CD1-CD2 4.25Å; L326-L328 HydrophobicContact CD2-CD2 4.23Å; L326-L328 HydrophobicContact CD2-CG 4.31Å; L326-L328 HydrophobicContact CG-CD2 4.24Å; L326-L328 HydrophobicContact CG-CG 4.32Å; L326-P338 HydrophobicContact CD1-CG 4.39Å; L326-H357 HydrophobicContact CD1-CB 3.58Å; L326-H357 HydrophobicContact CD2-CB 3.74Å; L326-H357 HydrophobicContact CG-CB 4.31Å; L326-L359 HydrophobicContact CB-CD2 3.89Å
327I92Very high84.4Confident59 Ų5969.5 Ų69.530%0.30334%0.341SS..EExtended strand (participates in β ladder)trans-120125.1174.4-54.8177.6000108.2L310 I311 F333 T334 P338L310-I327 WeakPolarHBondContact O-CA 3.3Å; I311-I327 HydrophobicContact CG1-CG1 4.43Å; I327-F333 HydrophobicContact CG2-CB 4.39Å; I327-T334 HydrophobicContact CB-CG2 4.46Å; I327-T334 HydrophobicContact CG2-CG2 3.97Å; I327-T334 WeakPolarHBondContact O-CG2 3.41Å; I327-P338 WeakPolarHBondContact O-CB 3.4Å
328L92.9Very high84.6Confident0 Ų070.3 Ų70.30%035%0.346CS..EExtended strand (participates in β ladder)trans-113.4144169.2-56.2177.2000107.9C223 L225 L236 S309 L310 I312 L326 P338 W342C223-L328 HydrophobicContact CB-CD1 4.14Å; L225-L328 HydrophobicContact CD1-CD1 3.94Å; L225-L328 HydrophobicContact CD2-CD1 4.3Å; L225-L328 HydrophobicContact CG-CD1 4.21Å; L236-L328 HydrophobicContact CD1-CD1 4.15Å; S309-L328 CarbonylContact C-O 3.45Å; S309-L328 VanDerWaalsContact CA-O 3.25Å; S309-L328 WeakPolarHBondContact CA-O 3.37Å; S309-L328 WeakPolarHBondContact CB-O 3.37Å; L310-L328 HydrophobicContact CB-CB 4.4Å; L310-L328 PolarHBondContact N-O 2.89Å; L310-L328 PolarHBondContact O-N 3.31Å; I312-L328 HydrophobicContact CD1-CD1 4.23Å; I312-L328 HydrophobicContact CD1-CG 4.18Å; L326-L328 HydrophobicContact CD1-CD2 4.25Å; L326-L328 HydrophobicContact CD2-CD2 4.23Å; L326-L328 HydrophobicContact CD2-CG 4.31Å; L326-L328 HydrophobicContact CG-CD2 4.24Å; L326-L328 HydrophobicContact CG-CG 4.32Å; L328-P338 HydrophobicContact CD2-CB 3.94Å; L328-W342 HydrophobicContact CB-CE3 4.26Å
329G90.3Very high85.1Confident0 Ų064.7 Ų64.70%032%0.322CS..EExtended strand (participates in β ladder)trans164.9178.4-177.200000113.1A308 T334 W342A308-G329 WeakPolarHBondContact O-CA 3.43Å; G329-T334 PolarHBondContact O-OG1 2.83Å; G329-W342 VanDerWaalsContact C-CD2 3.5Å; G329-W342 VanDerWaalsContact CA-CD2 3.43Å; G329-W342 WeakPolarHBondContact O-CB 3.37Å
330G81.3Confident85.9Confident2 Ų265.4 Ų65.42%0.02132%0.318CS..SBendtrans-64.7175.7177.300000113.8A308 M332 F333 T334A308-G330 PolarHBondContact O-N 2.94Å; G330-M332 PolarHBondContact O-N 3.11Å; G330-F333 PolarHBondContact O-N 3.22Å; G330-T334 PolarHBondContact O-N 3.41Å; G330-T334 PolarHBondContact O-OG1 2.83Å
331V77.2Confident86.5Confident92 Ų9260.4 Ų60.456%0.55829%0.291SS*.THydrogen-bonded Turntrans-55.9-18.3-175.471.90000114.3R335 L339V331-R335 PolarHBondContact O-NH1 3.29Å; V331-L339 HydrophobicContact CB-CD1 4.13Å; V331-L339 HydrophobicContact CG2-CD2 4.18Å
332M76Confident87Confident138 Ų13854.1 Ų54.168%0.6826%0.264SS*.THydrogen-bonded Turntrans-71.9-26.1174.6-67.2-166.9178.400113.6G330G330-M332 PolarHBondContact O-N 3.11Å
333F77.9Confident87.4Confident60 Ų6055.4 Ų55.426%0.26327%0.265SS..THydrogen-bonded Turntrans-115.3-22.6-167.8-50-75.5000114.4Q307 A308 I327 G330Q307-F333 VanDerWaalsContact C-CE2 3.45Å; Q307-F333 VanDerWaalsContact O-CE2 3.31Å; Q307-F333 WeakPolarHBondContact O-CE2 3.39Å; Q307-F333 VanDerWaalsContact O-CZ 3.23Å; Q307-F333 WeakPolarHBondContact O-CZ 3.48Å; A308-F333 WeakPolarHBondContact O-CD2 3.34Å; I327-F333 HydrophobicContact CG2-CB 4.39Å; G330-F333 PolarHBondContact O-N 3.22Å
334T79.1Confident88Confident8 Ų856.7 Ų56.75%0.04927%0.272CS..  trans-135.6162-168.962.40000112.2I327 G329 G330 P338 L339I327-T334 HydrophobicContact CB-CG2 4.46Å; I327-T334 HydrophobicContact CG2-CG2 3.97Å; I327-T334 WeakPolarHBondContact O-CG2 3.41Å; G329-T334 PolarHBondContact O-OG1 2.83Å; G330-T334 PolarHBondContact O-N 3.41Å; G330-T334 PolarHBondContact O-OG1 2.83Å; T334-P338 HydrophobicContact CG2-CB 4.1Å; T334-L339 WeakPolarHBondContact OG1-CA 3.4Å; T334-L339 WeakPolarHBondContact OG1-CB 3.49Å
335R82.6Confident88.6Confident149 Ų14956.3 Ų56.356%0.56227%0.269SS*.  trans-136.4167.2174.9-60.2-66.7-179.9-88.44.2108.8V331 P338V331-R335 PolarHBondContact O-NH1 3.29Å; R335-P338 WeakPolarHBondContact O-CD 3.39Å
336N89.3Confident88.7Confident142 Ų14253.1 Ų53.176%0.75926%0.259SS*.Hα-helixtrans55-137.5171.8-51.1-32.3000112.9L339 Q340N336-L339 WeakPolarHBondContact O-CB 3.45Å; N336-L339 PolarHBondContact O-N 2.76Å; N336-Q340 PolarHBondContact O-N 2.74Å
337K90.3Very high88.8Confident105 Ų10556.5 Ų56.546%0.45729%0.288SS..Hα-helixtrans-52.2-49.2-176.6-75.7-173.7177.4-171.20114.3L339 Q340 Q341K337-L339 VanDerWaalsContact C-N 3.29Å; K337-L339 PolarHBondContact O-N 2.73Å; K337-Q340 PolarHBondContact O-N 2.81Å; K337-Q341 PolarHBondContact O-N 2.83Å
338P89.4Confident88.9Confident28 Ų2857.5 Ų57.518%0.18230%0.295CS..Hα-helixtrans-55.6-38.7174.3-32.636.9000115.1L326 I327 L328 T334 R335 W342L326-P338 HydrophobicContact CD1-CG 4.39Å; I327-P338 WeakPolarHBondContact O-CB 3.4Å; L328-P338 HydrophobicContact CD2-CB 3.94Å; T334-P338 HydrophobicContact CG2-CB 4.1Å; R335-P338 WeakPolarHBondContact O-CD 3.39Å; P338-W342 PolarHBondContact O-N 2.87Å
339L90.8Very high88.5Confident22 Ų2261.5 Ų61.512%0.11531%0.314CS..Hα-helixtrans-71.3-43.9177.1176.859.4000111V331 T334 N336 K337 Q341 W342 Q343V331-L339 HydrophobicContact CB-CD1 4.13Å; V331-L339 HydrophobicContact CG2-CD2 4.18Å; T334-L339 WeakPolarHBondContact OG1-CA 3.4Å; T334-L339 WeakPolarHBondContact OG1-CB 3.49Å; N336-L339 WeakPolarHBondContact O-CB 3.45Å; N336-L339 PolarHBondContact O-N 2.76Å; K337-L339 VanDerWaalsContact C-N 3.29Å; K337-L339 PolarHBondContact O-N 2.73Å; L339-Q341 PolarHBondContact O-N 3.39Å; L339-W342 WeakPolarHBondContact O-CB 3.48Å; L339-W342 PolarHBondContact O-N 3.45Å; L339-W342 VanDerWaalsContact O-N 3.17Å; L339-Q343 HydrophobicContact CD1-CG 4.16Å; L339-Q343 HydrophobicContact CG-CG 4.4Å; L339-Q343 WeakPolarHBondContact O-CG 3.47Å; L339-Q343 PolarHBondContact O-N 3.04Å
340Q93.4Very high88.7Confident108 Ų10867.2 Ų67.251%0.50534%0.339SS..Hα-helixtrans-59-48.5178.8-175.1178.9-5.900111N336 K337 W342 Q343 D344N336-Q340 PolarHBondContact O-N 2.74Å; K337-Q340 PolarHBondContact O-N 2.81Å; Q340-W342 PolarHBondContact O-N 3.12Å; Q340-Q343 PolarHBondContact O-N 2.94Å; Q340-Q343 VanDerWaalsContact O-N 3.11Å; Q340-D344 WeakPolarHBondContact O-CB 3.38Å; Q340-D344 VanDerWaalsContact O-CG 3.24Å; Q340-D344 PolarHBondContact O-N 3.03Å
341Q95.2Very high89.3Confident1 Ų170.4 Ų70.41%0.00536%0.358CS..Hα-helixtrans-58.4-38.8177-166.2-170.615.800112.1C223 L225 K337 L339 M345 V353 E355 H357C223-Q341 PolarHBondContact O-NE2 2.99Å; L225-Q341 HydrophobicContact CD1-CG 4.16Å; K337-Q341 PolarHBondContact O-N 2.83Å; L339-Q341 PolarHBondContact O-N 3.39Å; Q341-M345 WeakPolarHBondContact O-CB 3.03Å; Q341-M345 PolarHBondContact O-N 3.42Å; Q341-V353 HydrophobicContact CG-CB 4.44Å; Q341-V353 HydrophobicContact CG-CG1 3.78Å; Q341-V353 PolarHBondContact NE2-O 2.97Å; Q341-E355 HydrophobicContact CB-CG 4.24Å; Q341-E355 HydrophobicContact CG-CB 4.17Å; Q341-E355 HydrophobicContact CG-CG 4Å; Q341-H357 PolarHBondContact OE1-CE1 3.1Å; Q341-H357 PolarHBondContact OE1-NE2 3.09Å
342W93.9Very high90.3Very high0 Ų070.6 Ų70.60%036%0.359CS..Hα-helixtrans-66.3-44176.9-168.3-90.8000111.9L225 L234 L305 A308 L310 L328 G329 P338 L339 Q340 M345 M346L225-W342 HydrophobicContact CD1-CE3 4.01Å; L234-W342 HydrophobicContact CD2-CH2 3.74Å; L234-W342 HydrophobicContact CD2-CZ3 4.21Å; L305-W342 HydrophobicContact CD2-CZ2 4.29Å; A308-W342 HydrophobicContact CB-CH2 4.29Å; A308-W342 HydrophobicContact CB-CZ2 4.1Å; L310-W342 HydrophobicContact CD1-CZ3 4.1Å; L310-W342 HydrophobicContact CG-CZ3 4.25Å; L328-W342 HydrophobicContact CB-CE3 4.26Å; G329-W342 VanDerWaalsContact C-CD2 3.5Å; G329-W342 VanDerWaalsContact CA-CD2 3.43Å; G329-W342 WeakPolarHBondContact O-CB 3.37Å; P338-W342 PolarHBondContact O-N 2.87Å; L339-W342 WeakPolarHBondContact O-CB 3.48Å; L339-W342 PolarHBondContact O-N 3.45Å; L339-W342 VanDerWaalsContact O-N 3.17Å; Q340-W342 PolarHBondContact O-N 3.12Å; W342-M345 HydrophobicContact CD2-CE 3.97Å; W342-M345 HydrophobicContact CE3-CE 4.15Å; W342-M345 HydrophobicContact CG-CE 4.5Å; W342-M345 HydrophobicContact CH2-CE 4.4Å; W342-M345 HydrophobicContact CZ2-CE 4.2Å; W342-M345 HydrophobicContact CZ3-CE 4.37Å; W342-M345 PolarHBondContact O-N 3.01Å; W342-M346 WeakPolarHBondContact O-CG 3.4Å; W342-M346 PolarHBondContact O-N 2.82Å
343Q94.7Very high91.2Very high94 Ų9464.9 Ų64.944%0.43933%0.332SS..Hα-helixtrans-63.8-43.4176.7-72.7176.1-27.500111.8L339 Q340 M345 M346 A347L339-Q343 HydrophobicContact CD1-CG 4.16Å; L339-Q343 HydrophobicContact CG-CG 4.4Å; L339-Q343 WeakPolarHBondContact O-CG 3.47Å; L339-Q343 PolarHBondContact O-N 3.04Å; Q340-Q343 PolarHBondContact O-N 2.94Å; Q340-Q343 VanDerWaalsContact O-N 3.11Å; Q343-M345 VanDerWaalsContact C-N 3.31Å; Q343-M345 PolarHBondContact O-N 2.7Å; Q343-M346 PolarHBondContact O-N 3Å; Q343-M346 VanDerWaalsContact O-N 3.12Å; Q343-A347 WeakPolarHBondContact O-CB 3.34Å; Q343-A347 PolarHBondContact O-N 3.4Å
344D95.5Very high92.1Very high55 Ų5564.4 Ų64.429%0.29434%0.336SS..Hα-helixtrans-62.1-39.7177.5-69.3-21.2000111.5Q340 A347 N348 V353Q340-D344 WeakPolarHBondContact O-CB 3.38Å; Q340-D344 VanDerWaalsContact O-CG 3.24Å; Q340-D344 PolarHBondContact O-N 3.03Å; D344-A347 PolarHBondContact O-N 2.97Å; D344-N348 WeakPolarHBondContact O-CB 3.35Å; D344-N348 PolarHBondContact O-N 3.07Å; D344-N348 PolarHBondContact O-ND2 2.8Å; D344-V353 HydrophobicContact CB-CG1 3.85Å; D344-V353 HydrophobicContact CB-CG2 4.16Å
345M96.2Very high92.9Very high0 Ų067.7 Ų67.70%035%0.351CS..Hα-helixtrans-63.8-41.2173.5176.6-15770.100111.7L225 L234 L305 Q341 W342 Q343 N348 M349 V353L225-M345 HydrophobicContact CB-CB 4.28Å; L225-M345 HydrophobicContact CB-CG 4.1Å; L225-M345 HydrophobicContact CB-SD 3.74Å; L225-M345 HydrophobicContact CD1-SD 4.2Å; L225-M345 HydrophobicContact CD2-SD 4.48Å; L225-M345 HydrophobicContact CG-SD 4.38Å; L234-M345 HydrophobicContact CD1-CE 3.96Å; L234-M345 HydrophobicContact CD1-SD 3.39Å; L234-M345 WeakPolarHBondContact CD1-SD 3.41Å; L305-M345 HydrophobicContact CD2-CE 4.46Å; Q341-M345 WeakPolarHBondContact O-CB 3.03Å; Q341-M345 PolarHBondContact O-N 3.42Å; W342-M345 HydrophobicContact CD2-CE 3.97Å; W342-M345 HydrophobicContact CE3-CE 4.15Å; W342-M345 HydrophobicContact CG-CE 4.5Å; W342-M345 HydrophobicContact CH2-CE 4.4Å; W342-M345 HydrophobicContact CZ2-CE 4.2Å; W342-M345 HydrophobicContact CZ3-CE 4.37Å; W342-M345 PolarHBondContact O-N 3.01Å; Q343-M345 VanDerWaalsContact C-N 3.31Å; Q343-M345 PolarHBondContact O-N 2.7Å; M345-N348 CarbonylContact O-C 3.46Å; M345-M349 PolarHBondContact O-N 3.48Å; M345-V353 HydrophobicContact CB-CG2 4.35Å
346M93.1Very high93.3Very high45 Ų4563 Ų6322%0.22233%0.334CS..Hα-helixtrans-70.1-37.2178-68.8-163.9-52.600112.3L305 W342 Q343 M349L305-M346 HydrophobicContact CB-SD 4.1Å; W342-M346 WeakPolarHBondContact O-CG 3.4Å; W342-M346 PolarHBondContact O-N 2.82Å; Q343-M346 PolarHBondContact O-N 3Å; Q343-M346 VanDerWaalsContact O-N 3.12Å; M346-M349 WeakPolarHBondContact O-CE 3.33Å; M346-M349 WeakPolarHBondContact O-CG 3.3Å
347A93.8Very high93.4Very high78 Ų7856.5 Ų56.565%0.64530%0.298SS*.Hα-helixtrans-68-36.2176.500000111.8Q343 D344Q343-A347 WeakPolarHBondContact O-CB 3.34Å; Q343-A347 PolarHBondContact O-N 3.4Å; D344-A347 PolarHBondContact O-N 2.97Å
348N93.2Very high93.2Very high81 Ų8156.3 Ų56.343%0.43330%0.298SS..THydrogen-bonded Turntrans-116.759.8-174.9-54.6-76.4000111.9D344 M345 K350 T351D344-N348 WeakPolarHBondContact O-CB 3.35Å; D344-N348 PolarHBondContact O-N 3.07Å; D344-N348 PolarHBondContact O-ND2 2.8Å; M345-N348 CarbonylContact O-C 3.46Å; N348-K350 PolarHBondContact O-N 2.86Å; N348-T351 HydrophobicContact CB-CG2 4.17Å; N348-T351 WeakPolarHBondContact CB-OG1 3.49Å; N348-T351 WeakPolarHBondContact O-CB 3.4Å; N348-T351 PolarHBondContact O-N 2.86Å; N348-T351 PolarHBondContact O-OG1 2.86Å
349M86.4Confident93Very high83 Ų8355.2 Ų55.241%0.40929%0.29SS..THydrogen-bonded Turntrans-55.4135.6179.9-56.9-172.3-169.100111.2Y227 N229 M345 M346 T351Y227-M349 HydrophobicContact CD1-CG 4.4Å; Y227-M349 HydrophobicContact CD1-SD 4.21Å; Y227-M349 HydrophobicContact CE1-SD 4.44Å; Y227-M349 CarbonylContact O-C 3.6Å; N229-M349 HydrophobicContact CB-SD 3.94Å; M345-M349 PolarHBondContact O-N 3.48Å; M346-M349 WeakPolarHBondContact O-CE 3.33Å; M346-M349 WeakPolarHBondContact O-CG 3.3Å; M349-T351 VanDerWaalsContact C-N 3.3Å
350K92.8Very high92.3Very high121 Ų12157.3 Ų57.353%0.52630%0.304SS..THydrogen-bonded Turntrans75.3-0.4-172.3-51.5174.6179.1178.60116.3Y227 N228 S230 N348Y227-K350 PolarHBondContact O-N 2.82Å; N228-K350 HydrophobicContact CB-CG 4.38Å; N228-K350 VanDerWaalsContact OD1-CE 3.29Å; N228-K350 WeakPolarHBondContact OD1-CE 3.38Å; S230-K350 PolarHBondContact OG-NZ 2.87Å; N348-K350 PolarHBondContact O-N 2.86Å
351T95.6Very high90.9Very high69 Ų6960.1 Ų60.142%0.42332%0.317SS..SBendtrans-99149169.374.10000110.5V226 N348 M349V226-T351 WeakPolarHBondContact CG2-O 3.32Å; N348-T351 HydrophobicContact CB-CG2 4.17Å; N348-T351 WeakPolarHBondContact CB-OG1 3.49Å; N348-T351 WeakPolarHBondContact O-CB 3.4Å; N348-T351 PolarHBondContact O-N 2.86Å; N348-T351 PolarHBondContact O-OG1 2.86Å; M349-T351 VanDerWaalsContact C-N 3.3Å
352V96.5Very high90.7Very high95 Ų9563.1 Ų63.158%0.57633%0.333SS*.  trans-88.5121.8178.4-1790000108.9L225 V226L225-V352 WeakPolarHBondContact O-CA 3.42Å; V226-V352 HydrophobicContact CB-CG2 4.14Å; V226-V352 HydrophobicContact CG1-CG2 4.39Å
353V96.5Very high90.5Very high18 Ų1866.4 Ų66.411%0.10935%0.35CS..EExtended strand (participates in β ladder)trans-106.1118.7174.5-175.20000108.7S224 L225 Q341 D344 M345S224-V353 CarbonylContact C-O 3.43Å; S224-V353 WeakPolarHBondContact CA-O 3.43Å; L225-V353 PolarHBondContact N-O 3.29Å; L225-V353 PolarHBondContact O-N 2.9Å; Q341-V353 HydrophobicContact CG-CB 4.44Å; Q341-V353 HydrophobicContact CG-CG1 3.78Å; Q341-V353 PolarHBondContact NE2-O 2.97Å; D344-V353 HydrophobicContact CB-CG1 3.85Å; D344-V353 HydrophobicContact CB-CG2 4.16Å; M345-V353 HydrophobicContact CB-CG2 4.35Å
354S96.4Very high90.3Very high51 Ų5164.8 Ų64.836%0.35735%0.346SS..EExtended strand (participates in β ladder)trans-118.7131.9-174.2-56.70000111.4C223 S224C223-S354 WeakPolarHBondContact O-CA 3.24Å; S224-S354 WeakPolarHBondContact CB-OG 3.1Å; S224-S354 WeakPolarHBondContact OG-CB 3.49Å; S224-S354 PolarHBondContact OG-OG 2.88Å
355E94.6Very high90Very high76 Ų7665.4 Ų65.436%0.35535%0.349SS..EExtended strand (participates in β ladder)trans-146.4153.6-177.8-77.7-59.3155.300112.3C223 Q341C223-E355 PolarHBondContact N-O 2.83Å; C223-E355 PolarHBondContact O-N 2.79Å; Q341-E355 HydrophobicContact CB-CG 4.24Å; Q341-E355 HydrophobicContact CG-CB 4.17Å; Q341-E355 HydrophobicContact CG-CG 4Å
356W92.4Very high89.6Confident52 Ų5269.5 Ų69.520%0.19737%0.37CS..EExtended strand (participates in β ladder)trans-92.2130.4168.6-74.894.6000110.5E220 H222 Q240 R242E220-W356 HydrophobicContact CB-CE3 3.68Å; E220-W356 HydrophobicContact CB-CZ3 4.09Å; H222-W356 HydrophobicContact CB-CD2 3.82Å; H222-W356 HydrophobicContact CB-CE3 3.79Å; H222-W356 HydrophobicContact CB-CH2 3.62Å; H222-W356 HydrophobicContact CB-CZ2 3.58Å; H222-W356 HydrophobicContact CB-CZ3 3.73Å; H222-W356 AromaticContact CD2-CD1 3.67Å; H222-W356 AromaticContact CD2-CD2 3.93Å; H222-W356 AromaticContact CD2-CE2 3.5Å; H222-W356 AromaticContact CD2-CZ2 3.98Å; H222-W356 AromaticContact CD2-NE1 3.34Å; H222-W356 PolarHBondContact CD2-NE1 3.49Å; H222-W356 VanDerWaalsContact CD2-NE1 3.34Å; H222-W356 AromaticContact CG-CE2 3.89Å; H222-W356 AromaticContact CG-CZ2 3.96Å; Q240-W356 HydrophobicContact CG-CH2 3.61Å; Q240-W356 HydrophobicContact CG-CZ2 4.21Å; Q240-W356 VanDerWaalsContact NE2-CH2 3.3Å; Q240-W356 VanDerWaalsContact NE2-CZ2 3.34Å; R242-W356 HydrophobicContact CB-CZ3 4.47Å; R242-W356 HydrophobicContact CG-CH2 3.74Å; R242-W356 HydrophobicContact CG-CZ3 3.82Å
357H90.1Very high89.4Confident4 Ų471.1 Ų71.12%0.01938%0.38CS..EExtended strand (participates in β ladder)trans-124.2137.8177.4-61.1-82.8000111.3E220 L221 L326 Q341E220-H357 CarbonylContact C-O 3.57Å; E220-H357 VanDerWaalsContact CA-O 3.28Å; E220-H357 WeakPolarHBondContact CA-O 3.35Å; L221-H357 PolarHBondContact N-O 3.27Å; L221-H357 PolarHBondContact O-N 3.02Å; L326-H357 HydrophobicContact CD1-CB 3.58Å; L326-H357 HydrophobicContact CD2-CB 3.74Å; L326-H357 HydrophobicContact CG-CB 4.31Å; Q341-H357 PolarHBondContact OE1-CE1 3.1Å; Q341-H357 PolarHBondContact OE1-NE2 3.09Å
358F87.5Confident89.1Confident102 Ų10270.6 Ų70.645%0.44736%0.361SS..EExtended strand (participates in β ladder)trans-68.1139.7166.9-65.6-71000110.3L217 E220L217-F358 HydrophobicContact CB-CD1 4.22Å; L217-F358 WeakPolarHBondContact O-CD1 3.48Å; L217-F358 WeakPolarHBondContact O-CE1 3.26Å; E220-F358 HydrophobicContact CG-CD1 3.65Å; E220-F358 HydrophobicContact CG-CE1 3.62Å; E220-F358 HydrophobicContact CG-CZ 4.49Å; E220-F358 WeakPolarHBondContact OE1-CE1 3.48Å
359L84.1Confident88.7Confident4 Ų469.8 Ų69.82%0.02136%0.356CS..PPolyproline II helixtrans-88.9139.7175.7-65.9170.8000110.1L217 S219 L221 L244 V314 A324 L326L217-L359 WeakPolarHBondContact CD2-O 3.29Å; S219-L359 WeakPolarHBondContact O-CB 3.46Å; S219-L359 PolarHBondContact O-N 3.39Å; L221-L359 HydrophobicContact CB-CD1 4.24Å; L221-L359 HydrophobicContact CB-CD2 3.81Å; L221-L359 HydrophobicContact CB-CG 4.08Å; L221-L359 HydrophobicContact CD2-CD2 4.17Å; L244-L359 HydrophobicContact CD2-CD1 3.46Å; L244-L359 VanDerWaalsContact CD2-CD1 3.46Å; V314-L359 HydrophobicContact CG2-CD1 3.85Å; V314-L359 HydrophobicContact CG2-CD2 4.1Å; A324-L359 HydrophobicContact CB-CB 3.73Å; A324-L359 HydrophobicContact CB-CD1 4.16Å; A324-L359 HydrophobicContact CB-CG 4.39Å; L326-L359 HydrophobicContact CB-CD2 3.89Å
360T76.5Confident88.9Confident67 Ų6768.8 Ų68.841%0.41135%0.351SS..BIsolated β-bridgetrans-102.8149.4174.154.60000110A324 R325A324-T360 CarbonylContact C-O 3.59Å; A324-T360 WeakPolarHBondContact CA-O 3.41Å; R325-T360 WeakPolarHBondContact CG-O 2.9Å; R325-T360 WeakPolarHBondContact CG-OG1 3.25Å; R325-T360 PolarHBondContact N-O 3.05Å; R325-T360 PolarHBondContact NE-OG1 3.06Å; R325-T360 PolarHBondContact O-N 3.41Å; R325-T360 PolarHBondContact O-OG1 3.09Å
361E64.1Low88.6Confident166 Ų16664 Ų6478%0.77634%0.335SS*.  trans-70.20174.7-67.1-174.5172.100113.1R325R325-E361 PolarHBondContact NH1-O 3.06Å

Retrieved 361 of 361 residues in 337.3 ms (Link to these results)