A0A077ZHB8_TRITR Loading...

Large ribosomal subunit protein uL15m

AlphaFold DB , UniProt , Accession A0A077ZHB8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 146 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M80.7Confident93.7Very high158 Ų158125.6 Ų125.678%0.77867%0.669SS**  0111.60-174.6-166.1-97.300108E5 L6M1-E5 HydrophobicContact CG-CB 4.29Å; M1-L6 HydrophobicContact CG-CD2 4.08Å; M1-L6 HydrophobicContact SD-CD2 3.33Å; M1-L6 WeakPolarHBondContact SD-CD2 3.13Å; M1-L6 HydrophobicContact SD-CG 4.43Å
2K93.2Very high93.9Very high131 Ų131121.5 Ų121.557%0.5766%0.658SS**  trans-81.9163172.1-60.8175.1-174.11700109.6H4 E5K2-H4 VanDerWaalsContact CB-CE1 3.45Å; K2-H4 WeakPolarHBondContact CB-CE1 3.15Å; K2-H4 WeakPolarHBondContact CD-CE1 3.43Å; K2-H4 PolarHBondContact O-N 3.35Å; K2-E5 HydrophobicContact CB-CG 4.27Å; K2-E5 PolarHBondContact N-OE2 3.44Å; K2-E5 PolarHBondContact O-N 2.77Å
3L95.1Very high94.1Very high160 Ų160128 Ų12884%0.83867%0.667SS**G310 helixtrans-57.6-23.9-179-68.7176.3000114.1L6L3-L6 WeakPolarHBondContact O-CG 3.21Å
4H95.3Very high94.2Very high148 Ų148132.6 Ų132.669%0.68568%0.679SS**G310 helixtrans-89.4-1.2176.656.8-92.7000114.1K2K2-H4 VanDerWaalsContact CB-CE1 3.45Å; K2-H4 WeakPolarHBondContact CB-CE1 3.15Å; K2-H4 WeakPolarHBondContact CD-CE1 3.43Å; K2-H4 PolarHBondContact O-N 3.35Å
5E95.8Very high94.2Very high92 Ų92133.2 Ų133.243%0.4369%0.691SS.*G310 helixtrans-113.214.3-178.4-58.7169.6164.300111.9M1 K2 Q7M1-E5 HydrophobicContact CG-CB 4.29Å; K2-E5 HydrophobicContact CB-CG 4.27Å; K2-E5 PolarHBondContact N-OE2 3.44Å; K2-E5 PolarHBondContact O-N 2.77Å; E5-Q7 PolarHBondContact O-N 3.05Å; E5-Q7 VanDerWaalsContact O-N 3.08Å
6L93.8Very high94.3Very high116 Ų116137.5 Ų137.561%0.60770%0.695SS**  trans-62.3114.1-177.5-63.8178.2000110.4M1 L3M1-L6 HydrophobicContact CG-CD2 4.08Å; M1-L6 HydrophobicContact SD-CD2 3.33Å; M1-L6 WeakPolarHBondContact SD-CD2 3.13Å; M1-L6 HydrophobicContact SD-CG 4.43Å; L3-L6 WeakPolarHBondContact O-CG 3.21Å
7Q93.3Very high94.3Very high162 Ų162135.8 Ų135.876%0.75769%0.688SS**  trans-114.8129.7171.2-70.1-172.2-2300109.5E5E5-Q7 PolarHBondContact O-N 3.05Å; E5-Q7 VanDerWaalsContact O-N 3.08Å
8P94.7Very high94.3Very high78 Ų78137.6 Ų137.651%0.50669%0.685SS.*PPolyproline II helixtrans-69.5153.9171.831.9-34.5000110S12 R13P8-S12 WeakPolarHBondContact CB-OG 3.45Å; P8-R13 HydrophobicContact CB-CG 4.26Å
9A96.4Very high94.4Very high74 Ų74133.8 Ų133.861%0.61267%0.67SS**PPolyproline II helixtrans-59.4144.2168.900000110.1G11 S12A9-G11 PolarHBondContact O-N 3.31Å; A9-S12 VanDerWaalsContact O-CB 3.29Å; A9-S12 WeakPolarHBondContact O-CB 3.46Å; A9-S12 PolarHBondContact O-N 2.87Å; A9-S12 PolarHBondContact O-OG 2.96Å
10E96.1Very high94.5Very high201 Ų201128.5 Ų128.594%0.93965%0.651SS**THydrogen-bonded Turntrans-54.3133.1179.4-168.6176.3174.900110.8S12E10-S12 PolarHBondContact O-N 3.21Å; E10-S12 VanDerWaalsContact O-N 3.16Å
11G96.2Very high94.6Very high62 Ų62131.3 Ų131.364%0.63965%0.654SS**THydrogen-bonded Turntrans76.3-9.1-179.300000116.5A9 R13A9-G11 PolarHBondContact O-N 3.31Å; G11-R13 VanDerWaalsContact C-N 3.26Å; G11-R13 PolarHBondContact O-N 3.48Å
12S96.4Very high95.2Very high76 Ų76125.9 Ų125.953%0.53164%0.639SS.*SBendtrans-69.7-20.6-179.566.30000114.1P8 A9 E10P8-S12 WeakPolarHBondContact CB-OG 3.45Å; A9-S12 VanDerWaalsContact O-CB 3.29Å; A9-S12 WeakPolarHBondContact O-CB 3.46Å; A9-S12 PolarHBondContact O-N 2.87Å; A9-S12 PolarHBondContact O-OG 2.96Å; E10-S12 PolarHBondContact O-N 3.21Å; E10-S12 VanDerWaalsContact O-N 3.16Å
13R95.8Very high95.3Very high206 Ų206125.6 Ų125.678%0.77765%0.648SS**  trans-126.4135178.4-65.5-169.8175.7-163.5-0.5110.8P8 G11P8-R13 HydrophobicContact CB-CG 4.26Å; G11-R13 VanDerWaalsContact C-N 3.26Å; G11-R13 PolarHBondContact O-N 3.48Å
14K95.6Very high95.3Very high193 Ų193123.8 Ų123.884%0.83965%0.648SS**  trans-119.6143.5173.5-62.9-176.8-178-179.40109.5R16K14-R16 PolarHBondContact O-N 2.92Å
15V94.3Very high95.2Very high141 Ų141119 Ų11986%0.85563%0.632SS**PPolyproline II helixtrans-69.9126.9175.1-178.60000108.8
16R95.5Very high95.1Very high202 Ų202117.8 Ų117.876%0.76264%0.644SS**PPolyproline II helixtrans-65.7140.7177.470.3179.2178.6173.9-2111K14 R18K14-R16 PolarHBondContact O-N 2.92Å; R16-R18 HydrophobicContact CG-CG 4.15Å; R16-R18 PolarHBondContact O-N 2.95Å
17N94.3Very high95.2Very high108 Ų108114.2 Ų114.258%0.57863%0.625SS**PPolyproline II helixtrans-69.8117.5171-17314000109.9N27N17-N27 PolarHBondContact ND2-ND2 3.3Å; N17-N27 VanDerWaalsContact ND2-ND2 3.12Å
18R95.4Very high95.3Very high168 Ų168107.2 Ų107.263%0.63460%0.597SS**  trans-99.694.1177-67.4-172.6-67.8177.9-1.7109.4R16R16-R18 HydrophobicContact CG-CG 4.15Å; R16-R18 PolarHBondContact O-N 2.95Å
19V96.1Very high95.3Very high66 Ų66111.8 Ų111.840%0.461%0.608SS.*  trans-71.5152.5178.5-56.60000111.7N27V19-N27 HydrophobicContact CB-CB 4.11Å; V19-N27 HydrophobicContact CG1-CB 3.87Å
20G95.5Very high95.3Very high27 Ų27110.3 Ų110.328%0.27859%0.592SS.*SBendtrans74.730.4176.500000115.1N27 G28G20-N27 PolarHBondContact N-O 3.07Å; G20-G28 WeakPolarHBondContact CA-O 3.43Å
21R96.6Very high95.3Very high188 Ų188102.6 Ų102.671%0.70956%0.56SS**SBendtrans-13264-176.7-62.9-64.4-179.1-81.9-0.3112.2
22G94.6Very high95.3Very high45 Ų45102.5 Ų102.546%0.46456%0.559SS.*  trans86.5160.3-179.700000114.1S25 G28G22-S25 PolarHBondContact O-OG 3.17Å; G22-S25 VanDerWaalsContact O-OG 3.11Å; G22-G28 WeakPolarHBondContact O-CA 3.13Å
23T94.8Very high95.3Very high125 Ų125105.8 Ų105.877%0.76756%0.56SS**G310 helixtrans-74.3-28.9-172.247.70000113.6S25 G26T23-S25 PolarHBondContact O-N 3.44Å; T23-G26 PolarHBondContact O-N 3.39Å
24S95Very high95.3Very high121 Ų12197.8 Ų97.885%0.84654%0.542SS*.G310 helixtrans-61.4-26.3-175.958.20000114.4G26S24-G26 PolarHBondContact O-N 3.15Å
25S92.7Very high95.3Very high48 Ų4895 Ų9534%0.33653%0.532SS..G310 helixtrans-73.4-8.5176.865.30000114.5G22 T23 N27G22-S25 PolarHBondContact O-OG 3.17Å; G22-S25 VanDerWaalsContact O-OG 3.11Å; T23-S25 PolarHBondContact O-N 3.44Å; S25-N27 PolarHBondContact O-N 3.03Å; S25-N27 VanDerWaalsContact O-N 3.1Å; S25-N27 PolarHBondContact OG-N 3.05Å
26G94.6Very high95.4Very high66 Ų6696.7 Ų96.768%0.6853%0.528SS*.SBendtrans73.5-12.9-169.800000114.6T23 S24T23-G26 PolarHBondContact O-N 3.39Å; S24-G26 PolarHBondContact O-N 3.15Å
27N95.3Very high95.5Very high41 Ų4189.2 Ų89.222%0.21951%0.513CS..  trans-116.127.7-176.7-68.3-58.9000112.8N17 V19 G20 S25 S31N17-N27 PolarHBondContact ND2-ND2 3.3Å; N17-N27 VanDerWaalsContact ND2-ND2 3.12Å; V19-N27 HydrophobicContact CB-CB 4.11Å; V19-N27 HydrophobicContact CG1-CB 3.87Å; G20-N27 PolarHBondContact N-O 3.07Å; S25-N27 PolarHBondContact O-N 3.03Å; S25-N27 VanDerWaalsContact O-N 3.1Å; S25-N27 PolarHBondContact OG-N 3.05Å; N27-S31 VanDerWaalsContact O-CA 3.31Å; N27-S31 WeakPolarHBondContact O-CA 3.45Å
28G94.9Very high95.6Very high15 Ų1590.1 Ų90.116%0.15551%0.514CS..SBendtrans-70.5-77.3-175.800000114G20 G22G20-G28 WeakPolarHBondContact CA-O 3.43Å; G22-G28 WeakPolarHBondContact O-CA 3.13Å
29K95.7Very high95.7Very high174 Ų17490 Ų9076%0.75752%0.518SS*.SBendtrans-63.7-57.2-169-177.3179178.9175.90113.5
30T96.5Very high95.7Very high43 Ų4387.9 Ų87.926%0.26451%0.508SS..SBendtrans-99.20.9-174.755.70000113.1G32 R33 G34T30-G32 PolarHBondContact O-N 3.33Å; T30-G32 VanDerWaalsContact O-N 3.11Å; T30-R33 VanDerWaalsContact O-CB 3.31Å; T30-R33 WeakPolarHBondContact O-CB 3.24Å; T30-R33 PolarHBondContact O-N 2.94Å; T30-G34 VanDerWaalsContact CB-O 3.26Å; T30-G34 WeakPolarHBondContact CB-O 3.41Å; T30-G34 WeakPolarHBondContact CG2-O 3.49Å
31S96Very high95.7Very high40 Ų4094.1 Ų94.128%0.2852%0.523SS..THydrogen-bonded Turntrans50.934.7-177.6-59.20000113.8N27 R33N27-S31 VanDerWaalsContact O-CA 3.31Å; N27-S31 WeakPolarHBondContact O-CA 3.45Å; S31-R33 VanDerWaalsContact C-N 3.32Å; S31-R33 PolarHBondContact O-N 3.29Å
32G95.3Very high95.7Very high59 Ų5991.1 Ų91.161%0.60853%0.531SS*.THydrogen-bonded Turntrans78.56-17800000115.4T30T30-G32 PolarHBondContact O-N 3.33Å; T30-G32 VanDerWaalsContact O-N 3.11Å
33R96.6Very high95.7Very high145 Ų14593.1 Ų93.155%0.54755%0.551SS.*SBendtrans-95.9-8.7-173.2-58.3-176.5176-150.9-1.8115.7T30 S31 A40 R41T30-R33 VanDerWaalsContact O-CB 3.31Å; T30-R33 WeakPolarHBondContact O-CB 3.24Å; T30-R33 PolarHBondContact O-N 2.94Å; S31-R33 VanDerWaalsContact C-N 3.32Å; S31-R33 PolarHBondContact O-N 3.29Å; R33-A40 HydrophobicContact CB-CB 4.35Å; R33-R41 PolarHBondContact NH1-O 3.06Å
34G95.9Very high95.7Very high39 Ų3989 Ų8940%0.40253%0.533SS..  trans77.8-171.4-169.900000113.3T30T30-G34 VanDerWaalsContact CB-O 3.26Å; T30-G34 WeakPolarHBondContact CB-O 3.41Å; T30-G34 WeakPolarHBondContact CG2-O 3.49Å
35Q96.4Very high95.7Very high133 Ų13384.6 Ų84.662%0.62151%0.507SS*.SBendtrans-86.1-50.4-169.3-60.9-60.8-34.800114.4
36K96.3Very high95.8Very high178 Ų17885.8 Ų85.877%0.77451%0.512SS*.SBendtrans-138.5-176.3-171.5-63.9-178.2-177.5177.40109.6
37G96.9Very high95.9Very high45 Ų4590.9 Ų90.946%0.46451%0.511SS..SBendtrans95.9162.2177.600000113.6K39 A40G37-K39 PolarHBondContact O-N 3.06Å; G37-A40 PolarHBondContact O-N 2.84Å
38Q96.8Very high96Very high127 Ų12797.4 Ų97.459%0.59355%0.545SS*.G310 helixtrans-56.1-37.2-175.1-173.7-179.49.400112.7A40 R41 G44 G45Q38-A40 VanDerWaalsContact C-N 3.28Å; Q38-A40 PolarHBondContact O-N 3.02Å; Q38-R41 PolarHBondContact O-N 2.79Å; Q38-G44 VanDerWaalsContact O-CA 3.27Å; Q38-G44 WeakPolarHBondContact O-CA 3.2Å; Q38-G45 PolarHBondContact NE2-O 3.25Å; Q38-G45 VanDerWaalsContact NE2-O 3.12Å
39K96.7Very high96Very high166 Ų16698.8 Ų98.872%0.72256%0.559SS**G310 helixtrans-67.9-22179.2-66.8-177.7179.2178.20114G37G37-K39 PolarHBondContact O-N 3.06Å
40A96.7Very high96.1Very high21 Ų2195 Ų9517%0.17454%0.543CS..G310 helixtrans-84.3-21.2-178.600000113.3R33 G37 Q38R33-A40 HydrophobicContact CB-CB 4.35Å; G37-A40 PolarHBondContact O-N 2.84Å; Q38-A40 VanDerWaalsContact C-N 3.28Å; Q38-A40 PolarHBondContact O-N 3.02Å
41R96.3Very high96.1Very high158 Ų15896 Ų9660%0.59654%0.544SS*.SBendtrans-76.1157.9-176.9-55.9-55.1-175.1-168.32.9112.3R33 Q38 G44R33-R41 PolarHBondContact NH1-O 3.06Å; Q38-R41 PolarHBondContact O-N 2.79Å; R41-G44 PolarHBondContact O-N 3.41Å; R41-G44 VanDerWaalsContact O-N 3.1Å
42S96.2Very high96.2Very high125 Ų12597.2 Ų97.287%0.87456%0.564SS**THydrogen-bonded Turntrans-63.4136.9171.7-167.60000109.9G44S42-G44 PolarHBondContact O-N 2.77Å
43G94.7Very high96.2Very high86 Ų8697.5 Ų97.589%0.88757%0.566SS**THydrogen-bonded Turntrans64.113.6-172.500000114.5
44G93.6Very high96.2Very high38 Ų3896 Ų9639%0.39257%0.566SS.*  trans-72.4179.5-17800000114.1Q38 R41 S42Q38-G44 VanDerWaalsContact O-CA 3.27Å; Q38-G44 WeakPolarHBondContact O-CA 3.2Å; R41-G44 PolarHBondContact O-N 3.41Å; R41-G44 VanDerWaalsContact O-N 3.1Å; S42-G44 PolarHBondContact O-N 2.77Å
45G95.4Very high96.3Very high30 Ų3098 Ų9831%0.30957%0.57SS.*SBendtrans108.2177.1-174.500000112.2Q38Q38-G45 PolarHBondContact NE2-O 3.25Å; Q38-G45 VanDerWaalsContact NE2-O 3.12Å
46V96.2Very high96.3Very high72 Ų7292.3 Ų92.344%0.43654%0.544SS..  trans-119.6149.2174.7-65.10000108F50V46-F50 HydrophobicContact CB-CB 4.3Å; V46-F50 HydrophobicContact CB-CD1 3.87Å; V46-F50 HydrophobicContact CG1-CD1 3.87Å; V46-F50 HydrophobicContact CG1-CE1 4.35Å; V46-F50 HydrophobicContact CG2-CD1 4.46Å
47R95.9Very high96.4Very high174 Ų17488.1 Ų88.166%0.65753%0.53SS*.  trans-57.4150.4175.967.3176-179.8170-2.4110.7G49 F50R47-G49 PolarHBondContact O-N 3.34Å; R47-F50 HydrophobicContact CG-CB 3.86Å; R47-F50 WeakPolarHBondContact O-CB 3.49Å; R47-F50 PolarHBondContact O-N 3.22Å
48L96.5Very high96.3Very high178 Ų17892.5 Ų92.593%0.93254%0.537SS*.THydrogen-bonded Turntrans-56.4132.4174-65.8174.3000110.1
49G96Very high96.3Very high44 Ų4494.4 Ų94.445%0.45454%0.539SS..THydrogen-bonded Turntrans82.46.3-178.600000116.2R47 P56R47-G49 PolarHBondContact O-N 3.34Å; G49-P56 WeakPolarHBondContact O-CB 3.21Å
50F97.3Very high96.3Very high94 Ų9492.6 Ų92.641%0.41253%0.527SS..  trans-81.9119.7172.6-176.7-113.5000111.9V46 R47V46-F50 HydrophobicContact CB-CB 4.3Å; V46-F50 HydrophobicContact CB-CD1 3.87Å; V46-F50 HydrophobicContact CG1-CD1 3.87Å; V46-F50 HydrophobicContact CG1-CE1 4.35Å; V46-F50 HydrophobicContact CG2-CD1 4.46Å; R47-F50 HydrophobicContact CG-CB 3.86Å; R47-F50 WeakPolarHBondContact O-CB 3.49Å; R47-F50 PolarHBondContact O-N 3.22Å
51E97.2Very high96.3Very high64 Ų6496.7 Ų96.730%0.29955%0.545SS..BIsolated β-bridgetrans-102.234.4-177.7-66.6176.3-155.900112.5G53 Q54 P56 L57 R60E51-G53 VanDerWaalsContact C-N 3.29Å; E51-G53 PolarHBondContact O-N 2.86Å; E51-Q54 HydrophobicContact CB-CB 3.99Å; E51-Q54 WeakPolarHBondContact O-CB 3.47Å; E51-Q54 PolarHBondContact O-N 3.08Å; E51-P56 WeakPolarHBondContact OE1-CA 3.49Å; E51-L57 PolarHBondContact OE1-N 2.87Å; E51-R60 IonicContact OE1-NH2 2.64Å; E51-R60 IonicContact OE2-CZ 3.96Å; E51-R60 IonicContact OE2-NH2 2.78Å; E51-R60 PolarHBondContact OE2-NH2 3.23Å
52G96.5Very high96.3Very high66 Ų6694.5 Ų94.568%0.6855%0.552SS**THydrogen-bonded Turntrans71.715.317100000116.1
53G96.4Very high96.4Very high65 Ų6598.9 Ų98.967%0.6756%0.555SS**THydrogen-bonded Turntrans116.1-19.3-176.200000113.2E51E51-G53 VanDerWaalsContact C-N 3.29Å; E51-G53 PolarHBondContact O-N 2.86Å
54Q97.3Very high96.5Very high113 Ų113106.3 Ų106.353%0.52856%0.556SS.*BIsolated β-bridgetrans-65.8145.8169-176.3172.25.100110.9E51 P56E51-Q54 HydrophobicContact CB-CB 3.99Å; E51-Q54 WeakPolarHBondContact O-CB 3.47Å; E51-Q54 PolarHBondContact O-N 3.08Å; Q54-P56 WeakPolarHBondContact O-CD 3.44Å
55T96.7Very high96.6Very high82 Ų82108 Ų10850%0.50357%0.574SS.*PPolyproline II helixtrans-58.8116170.6-59.30000109.7R59 R60T55-R59 HydrophobicContact CG2-CB 3.65Å; T55-R60 HydrophobicContact CG2-CG 3.95Å; T55-R60 WeakPolarHBondContact O-CD 3.46Å; T55-R60 PolarHBondContact O-NE 3.3Å
56P97.6Very high96.7Very high12 Ų12115.5 Ų115.58%0.07860%0.598CS.*PPolyproline II helixtrans-58.4151.7-175.5-28.236.6000113.4G49 E51 Q54 F58 R59 R60G49-P56 WeakPolarHBondContact O-CB 3.21Å; E51-P56 WeakPolarHBondContact OE1-CA 3.49Å; Q54-P56 WeakPolarHBondContact O-CD 3.44Å; P56-F58 VanDerWaalsContact C-N 3.27Å; P56-F58 HydrophobicContact CB-CD1 3.62Å; P56-F58 HydrophobicContact CB-CE1 3.26Å; P56-F58 HydrophobicContact CB-CG 4.48Å; P56-F58 HydrophobicContact CB-CZ 3.87Å; P56-F58 HydrophobicContact CG-CE1 3.93Å; P56-F58 HydrophobicContact CG-CZ 4.15Å; P56-F58 PolarHBondContact O-N 3.16Å; P56-F58 VanDerWaalsContact O-N 3.16Å; P56-R59 WeakPolarHBondContact O-CA 3.21Å; P56-R59 WeakPolarHBondContact O-CB 3.25Å; P56-R59 PolarHBondContact O-N 3.28Å; P56-R60 PolarHBondContact O-N 3.44Å
57L97.2Very high96.8Very high91 Ų91118.1 Ų118.148%0.47662%0.615SS.*Hα-helixtrans-49.6-44.6-178.2-177.163.4000113.3E51 R59 R60 L61E51-L57 PolarHBondContact OE1-N 2.87Å; L57-R59 PolarHBondContact O-N 3.12Å; L57-R59 VanDerWaalsContact O-N 3.14Å; L57-R60 PolarHBondContact O-N 2.93Å; L57-L61 HydrophobicContact CD1-CD1 4.2Å; L57-L61 HydrophobicContact CD1-CG 4.28Å; L57-L61 HydrophobicContact CG-CD1 4.14Å; L57-L61 PolarHBondContact O-N 2.99Å; L57-L61 VanDerWaalsContact O-N 3.11Å
58F96.2Very high96.8Very high136 Ų136114 Ų11460%0.59661%0.606SS**Hα-helixtrans-67.2-12.6-179.668.1-93.9000114.3P56P56-F58 VanDerWaalsContact C-N 3.27Å; P56-F58 HydrophobicContact CB-CD1 3.62Å; P56-F58 HydrophobicContact CB-CE1 3.26Å; P56-F58 HydrophobicContact CB-CG 4.48Å; P56-F58 HydrophobicContact CB-CZ 3.87Å; P56-F58 HydrophobicContact CG-CE1 3.93Å; P56-F58 HydrophobicContact CG-CZ 4.15Å; P56-F58 PolarHBondContact O-N 3.16Å; P56-F58 VanDerWaalsContact O-N 3.16Å
59R96Very high96.9Very high168 Ų168111.8 Ų111.863%0.63460%0.599SS**Hα-helixtrans-97.5-24.3171.4-65.9-167.3178.6-171.3-5.3112.9T55 P56 L57T55-R59 HydrophobicContact CG2-CB 3.65Å; P56-R59 WeakPolarHBondContact O-CA 3.21Å; P56-R59 WeakPolarHBondContact O-CB 3.25Å; P56-R59 PolarHBondContact O-N 3.28Å; L57-R59 PolarHBondContact O-N 3.12Å; L57-R59 VanDerWaalsContact O-N 3.14Å
60R96.7Very high96.9Very high127 Ų127116 Ų11648%0.47961%0.611SS.*Hα-helixtrans-74.9-32175.9-68.2-173.9-86.6156.2-5.9111.8E51 T55 P56 L57E51-R60 IonicContact OE1-NH2 2.64Å; E51-R60 IonicContact OE2-CZ 3.96Å; E51-R60 IonicContact OE2-NH2 2.78Å; E51-R60 PolarHBondContact OE2-NH2 3.23Å; T55-R60 HydrophobicContact CG2-CG 3.95Å; T55-R60 WeakPolarHBondContact O-CD 3.46Å; T55-R60 PolarHBondContact O-NE 3.3Å; P56-R60 PolarHBondContact O-N 3.44Å; L57-R60 PolarHBondContact O-N 2.93Å
61L96.3Very high96.9Very high107 Ų107119.4 Ų119.456%0.5662%0.622SS**SBendtrans-82.4138.3177.9-63.5175000111L57L57-L61 HydrophobicContact CD1-CD1 4.2Å; L57-L61 HydrophobicContact CD1-CG 4.28Å; L57-L61 HydrophobicContact CG-CD1 4.14Å; L57-L61 PolarHBondContact O-N 2.99Å; L57-L61 VanDerWaalsContact O-N 3.11Å
62P97.3Very high96.8Very high112 Ų112123.7 Ų123.773%0.72764%0.639SS**PPolyproline II helixtrans-69.1147.2176.329.7-34.7000110.8
63K97.3Very high96.8Very high218 Ų218124.5 Ų124.595%0.94863%0.625SS**PPolyproline II helixtrans-70.8130.4164-62.9-179.2-177.6178.50108
64R97.3Very high96.8Very high241 Ų241123.7 Ų123.791%0.90960%0.602SS**  trans-141.5143.9-179.9-178.8177.2167.8-175.8-3.4111
65G96.4Very high96.8Very high74 Ų74118.8 Ų118.876%0.76358%0.581SS**  trans97.1174.8175.900000113.3
66F97.1Very high96.8Very high187 Ų187118.8 Ų118.882%0.8258%0.581SS**  trans-143.2158.3173.268.7-82.6000108N68F66-N68 HydrophobicContact CE2-CB 4.38Å
67T97.3Very high96.8Very high128 Ų128118.7 Ų118.779%0.78558%0.579SS**  trans-98.2118.3176.7-54.30000109.2V69T67-V69 PolarHBondContact O-N 3.3Å
68N97.3Very high96.8Very high88 Ų88116.4 Ų116.447%0.47157%0.568SS.*  trans-71.7109.3169.9178.3-1.4000109.3F66 N70 R71F66-N68 HydrophobicContact CE2-CB 4.38Å; N68-N70 PolarHBondContact O-N 3.03Å; N68-N70 PolarHBondContact OD1-N 2.84Å; N68-R71 HydrophobicContact CB-CB 4.18Å; N68-R71 WeakPolarHBondContact O-CB 3.41Å; N68-R71 PolarHBondContact O-N 2.98Å
69V96.9Very high96.8Very high131 Ų131110 Ų11079%0.79454%0.539SS*.THydrogen-bonded Turntrans-62.7-25.7-178.2-64.20000113.5T67T67-V69 PolarHBondContact O-N 3.3Å
70N96.8Very high96.7Very high132 Ų132106 Ų10671%0.70653%0.531SS*.THydrogen-bonded Turntrans-106.223.7-178.7-63.1-19.3000112.1N68 K72N68-N70 PolarHBondContact O-N 3.03Å; N68-N70 PolarHBondContact OD1-N 2.84Å; N70-K72 PolarHBondContact O-N 3.39Å; N70-K72 VanDerWaalsContact O-N 3.09Å
71R96.9Very high96.6Very high166 Ų166101.5 Ų101.563%0.62652%0.517SS*.  trans-65111.6179.4-177.7168.1176.6-97.8-4.5110.2N68 E73N68-R71 HydrophobicContact CB-CB 4.18Å; N68-R71 WeakPolarHBondContact O-CB 3.41Å; N68-R71 PolarHBondContact O-N 2.98Å; R71-E73 IonicContact CZ-OE1 3.03Å; R71-E73 IonicContact NH1-OE1 3.64Å; R71-E73 PolarHBondContact NH1-OE1 3.23Å; R71-E73 IonicContact NH2-OE1 2.98Å; R71-E73 PolarHBondContact O-N 3.44Å
72K95.8Very high96.5Very high154 Ų15496.4 Ų96.467%0.6749%0.491SS*.PPolyproline II helixtrans-78.7117.5173.8-66.3-173.7178.5-174.10110.4N70 Y74 A107N70-K72 PolarHBondContact O-N 3.39Å; N70-K72 VanDerWaalsContact O-N 3.09Å; K72-Y74 HydrophobicContact CB-CE2 4.26Å; K72-A107 HydrophobicContact CB-CB 3.87Å; K72-A107 HydrophobicContact CD-CB 4.4Å; K72-A107 HydrophobicContact CG-CB 4.16Å
73E96.7Very high96.4Very high83 Ų8393.3 Ų93.339%0.38847%0.468SS..PPolyproline II helixtrans-101.1138.3166.2-66.3-165.1169.900109.6R71 K106 A107R71-E73 IonicContact CZ-OE1 3.03Å; R71-E73 IonicContact NH1-OE1 3.64Å; R71-E73 PolarHBondContact NH1-OE1 3.23Å; R71-E73 IonicContact NH2-OE1 2.98Å; R71-E73 PolarHBondContact O-N 3.44Å; E73-K106 HydrophobicContact CB-CD 3.77Å; E73-K106 WeakPolarHBondContact O-CB 3.33Å; E73-K106 IonicContact OE2-NZ 2.68Å; E73-K106 PolarHBondContact OE2-NZ 3.11Å; E73-A107 WeakPolarHBondContact O-CB 3.3Å; E73-A107 PolarHBondContact O-N 3.05Å
74Y96.9Very high96.2Very high48 Ų4891.6 Ų91.619%0.18846%0.456CS..BIsolated β-bridgetrans-102.2149.5176.5-67.4-94000109.6K72 V76 A107 G108 K110 A126 K127K72-Y74 HydrophobicContact CB-CE2 4.26Å; Y74-V76 PolarHBondContact O-N 3Å; Y74-A107 WeakPolarHBondContact CE1-O 3.21Å; Y74-G108 CarbonylContact C-O 3.51Å; Y74-G108 WeakPolarHBondContact CA-O 3.42Å; Y74-G108 VanDerWaalsContact CB-O 3.3Å; Y74-G108 WeakPolarHBondContact CB-O 3.37Å; Y74-G108 VanDerWaalsContact CD1-O 3.28Å; Y74-G108 WeakPolarHBondContact CD1-O 3.33Å; Y74-K110 HydrophobicContact CD1-CB 4.49Å; Y74-K110 HydrophobicContact CG-CB 4.15Å; Y74-A126 HydrophobicContact CD1-CB 4.2Å; Y74-A126 HydrophobicContact CE1-CB 3.9Å; Y74-K127 HydrophobicContact CD2-CD 4.41Å; Y74-K127 HydrophobicContact CE1-CD 4.1Å; Y74-K127 HydrophobicContact CE1-CG 4.1Å; Y74-K127 HydrophobicContact CE2-CD 3.85Å; Y74-K127 WeakPolarHBondContact OH-CE 3.29Å; Y74-K127 PolarHBondContact OH-NZ 3.27Å
75A96.9Very high96Very high9 Ų981.4 Ų81.47%0.07442%0.418CS..EExtended strand (participates in β ladder)trans-70.7122164.400000108.6V102 N104 E105 G108 I109 K110A75-V102 HydrophobicContact CB-CG1 3.83Å; A75-N104 WeakPolarHBondContact CB-O 3.4Å; A75-E105 PolarHBondContact N-O 3.49Å; A75-G108 PolarHBondContact N-O 3.36Å; A75-I109 HydrophobicContact CB-CG1 4.24Å; A75-I109 CarbonylContact O-C 3.52Å; A75-I109 WeakPolarHBondContact O-CA 3.35Å; A75-K110 PolarHBondContact O-N 3.18Å
76V96.8Very high95.9Very high83 Ų8383.9 Ų83.950%0.50341%0.41SS..EExtended strand (participates in β ladder)trans-99.3129.7-173.7172.30000109.7Y74 K110 L112Y74-V76 PolarHBondContact O-N 3Å; V76-K110 WeakPolarHBondContact CA-O 3.46Å; V76-L112 HydrophobicContact CG1-CB 4.5Å; V76-L112 HydrophobicContact CG1-CD1 3.36Å; V76-L112 HydrophobicContact CG1-CG 3.75Å
77I96.6Very high95.7Very high9 Ų979.1 Ų79.15%0.04639%0.393CS..EExtended strand (participates in β ladder)trans-125.2155.1168.265.8171.6000109.9L82 L96 I101 V102 I109 K110 V111 L112I77-L82 HydrophobicContact CD1-CD2 3.93Å; I77-L96 HydrophobicContact CD1-CD1 3.69Å; I77-L96 HydrophobicContact CD1-CD2 4.03Å; I77-I101 HydrophobicContact CG2-CG2 4.06Å; I77-V102 HydrophobicContact CG2-CG2 3.66Å; I77-I109 HydrophobicContact CD1-CG2 4.03Å; I77-I109 HydrophobicContact CG1-CG2 4Å; I77-I109 HydrophobicContact CG2-CG2 4.48Å; I77-K110 PolarHBondContact N-O 3.21Å; I77-K110 VanDerWaalsContact N-O 3.07Å; I77-V111 HydrophobicContact CD1-CG2 4.09Å; I77-V111 HydrophobicContact CG1-CB 4.43Å; I77-V111 HydrophobicContact CG1-CG1 4.42Å; I77-V111 HydrophobicContact CG1-CG2 4Å; I77-L112 PolarHBondContact O-N 3.02Å
78N97.2Very high95.5Very high44 Ų4476 Ų7624%0.23539%0.386CS..  trans-113.5171.2175.9-71.6-68000110.1D80 L112 N114N78-D80 VanDerWaalsContact CB-OD1 3.25Å; N78-D80 WeakPolarHBondContact CB-OD1 2.88Å; N78-D80 PolarHBondContact O-N 3Å; N78-L112 WeakPolarHBondContact CA-O 3.36Å; N78-L112 VanDerWaalsContact OD1-CB 3.26Å; N78-L112 WeakPolarHBondContact OD1-CB 3.37Å; N78-N114 HydrophobicContact CB-CB 4.16Å; N78-N114 WeakPolarHBondContact CB-O 3.42Å; N78-N114 WeakPolarHBondContact OD1-CB 3.43Å
79L95.7Very high95.3Very high0 Ų074.1 Ų74.10%038%0.378CS..Hα-helixtrans-68.4-34.3-172.2-62.2177.2000112.9V81 L82 V111 N114 L117 A132 T135 I136L79-V81 VanDerWaalsContact C-N 3.26Å; L79-V81 PolarHBondContact O-N 3.13Å; L79-L82 HydrophobicContact CD2-CD1 4.25Å; L79-L82 WeakPolarHBondContact O-CB 3.45Å; L79-L82 PolarHBondContact O-N 3.41Å; L79-V111 HydrophobicContact CD2-CG1 4.2Å; L79-N114 WeakPolarHBondContact CB-O 3.47Å; L79-N114 PolarHBondContact N-O 2.96Å; L79-L117 HydrophobicContact CB-CB 4.29Å; L79-A132 HydrophobicContact CD2-CB 4.3Å; L79-T135 HydrophobicContact CD1-CG2 3.51Å; L79-I136 HydrophobicContact CD2-CD1 4.16Å; L79-I136 HydrophobicContact CD2-CG1 3.97Å
80D94.9Very high95.2Very high84 Ų8472.5 Ų72.545%0.44936%0.362SS..Hα-helixtrans-53.5-40.2179.661.5-26.4000113.5N78 L82 N83N78-D80 VanDerWaalsContact CB-OD1 3.25Å; N78-D80 WeakPolarHBondContact CB-OD1 2.88Å; N78-D80 PolarHBondContact O-N 3Å; D80-L82 VanDerWaalsContact C-N 3.28Å; D80-L82 PolarHBondContact O-N 3.5Å; D80-N83 WeakPolarHBondContact O-CB 3.17Å; D80-N83 PolarHBondContact O-N 3.2Å; D80-N83 PolarHBondContact O-ND2 2.89Å
81V94.8Very high95.1Very high33 Ų3366.2 Ų66.220%0.233%0.328CS..Hα-helixtrans-70.4-27.4-179.5-177.70000112.1L79 N83 R84 I101L79-V81 VanDerWaalsContact C-N 3.26Å; L79-V81 PolarHBondContact O-N 3.13Å; V81-N83 PolarHBondContact O-N 2.78Å; V81-R84 WeakPolarHBondContact O-CG 3.48Å; V81-R84 PolarHBondContact O-N 2.82Å; V81-I101 HydrophobicContact CG1-CB 4.22Å; V81-I101 HydrophobicContact CG1-CD1 3.73Å; V81-I101 HydrophobicContact CG1-CG1 3.71Å; V81-I101 HydrophobicContact CG1-CG2 3.47Å; V81-I101 VanDerWaalsContact CG1-CG2 3.47Å
82L94.6Very high95Very high0 Ų060 Ų600%031%0.309CS..Hα-helixtrans-69.3-22.4179.8-60.9179000112.4I77 L79 D80 R84 F85 V91 L96 V111 L117 L121 V123I77-L82 HydrophobicContact CD1-CD2 3.93Å; L79-L82 HydrophobicContact CD2-CD1 4.25Å; L79-L82 WeakPolarHBondContact O-CB 3.45Å; L79-L82 PolarHBondContact O-N 3.41Å; D80-L82 VanDerWaalsContact C-N 3.28Å; D80-L82 PolarHBondContact O-N 3.5Å; L82-R84 PolarHBondContact O-N 2.7Å; L82-F85 HydrophobicContact CD2-CE2 4.48Å; L82-F85 WeakPolarHBondContact O-CD2 3.2Å; L82-F85 PolarHBondContact O-N 2.85Å; L82-V91 HydrophobicContact CD2-CG1 3.98Å; L82-L96 HydrophobicContact CD2-CD2 4.37Å; L82-V111 HydrophobicContact CD1-CG1 4.43Å; L82-L117 HydrophobicContact CB-CD1 3.83Å; L82-L121 HydrophobicContact CB-CD1 3.8Å; L82-L121 WeakPolarHBondContact O-CD1 3.39Å; L82-V123 HydrophobicContact CD1-CG2 4.18Å
83N93.7Very high95Very high47 Ų4753.6 Ų53.625%0.25128%0.283SS..THydrogen-bonded Turntrans-63.4-8.1175.6-64.4-46.4000114.1D80 V81 F85 S116 D118D80-N83 WeakPolarHBondContact O-CB 3.17Å; D80-N83 PolarHBondContact O-N 3.2Å; D80-N83 PolarHBondContact O-ND2 2.89Å; V81-N83 PolarHBondContact O-N 2.78Å; N83-F85 VanDerWaalsContact C-N 3.27Å; N83-S116 PolarHBondContact ND2-O 3.07Å; N83-D118 PolarHBondContact OD1-N 3.17Å
84R93.1Very high94.9Very high182 Ų18253.8 Ų53.869%0.68729%0.289SS*.THydrogen-bonded Turntrans-73.9-18.1172.1-63.7-177.5-173.8-1773.2113.3V81 L82V81-R84 WeakPolarHBondContact O-CG 3.48Å; V81-R84 PolarHBondContact O-N 2.82Å; L82-R84 PolarHBondContact O-N 2.7Å
85F94.4Very high94.8Very high28 Ų2852.4 Ų52.412%0.12329%0.288CS..SBendtrans-89.2154.2176.5-63.4-79000110.7L82 N83 T89 V91 L96 A99 I101 L121L82-F85 HydrophobicContact CD2-CE2 4.48Å; L82-F85 WeakPolarHBondContact O-CD2 3.2Å; L82-F85 PolarHBondContact O-N 2.85Å; N83-F85 VanDerWaalsContact C-N 3.27Å; F85-T89 HydrophobicContact CB-CG2 4.45Å; F85-T89 HydrophobicContact CD1-CG2 4.12Å; F85-V91 HydrophobicContact CB-CG2 4.35Å; F85-V91 HydrophobicContact CD1-CG2 4.47Å; F85-V91 HydrophobicContact CD2-CG1 4.44Å; F85-V91 HydrophobicContact CD2-CG2 3.81Å; F85-V91 HydrophobicContact CE2-CG1 4.01Å; F85-V91 HydrophobicContact CE2-CG2 4.19Å; F85-V91 HydrophobicContact CG-CG2 3.96Å; F85-V91 HydrophobicContact CZ-CG1 4.34Å; F85-L96 HydrophobicContact CE2-CD2 3.87Å; F85-L96 HydrophobicContact CZ-CD2 4.07Å; F85-A99 HydrophobicContact CE1-CB 4.33Å; F85-A99 HydrophobicContact CZ-CB 4.02Å; F85-I101 HydrophobicContact CE2-CD1 3.55Å; F85-I101 HydrophobicContact CZ-CD1 3.71Å; F85-L121 HydrophobicContact CB-CD1 4.31Å; F85-L121 HydrophobicContact CB-CD2 3.9Å
86E93.3Very high94.7Very high126 Ų12652 Ų5259%0.58929%0.285SS*.PPolyproline II helixtrans-84.4158.5177.2-65.9-59.4165.300112.2G88 T89 K119 L121E86-G88 PolarHBondContact O-N 2.77Å; E86-T89 VanDerWaalsContact O-CB 3.26Å; E86-T89 WeakPolarHBondContact O-CB 3.29Å; E86-T89 PolarHBondContact O-N 2.95Å; E86-T89 VanDerWaalsContact O-N 3.13Å; E86-T89 PolarHBondContact O-OG1 2.68Å; E86-K119 IonicContact OE2-NZ 2.99Å; E86-K119 PolarHBondContact OE2-NZ 3.06Å; E86-L121 WeakPolarHBondContact O-CD2 3.49Å
87D93.1Very high94.6Very high86 Ų8651 Ų5146%0.4628%0.278SS..THydrogen-bonded Turntrans-58132.4178-66.3-63.2000111.4K119 K120D87-K119 VanDerWaalsContact CG-CD 3.46Å; D87-K119 WeakPolarHBondContact OD1-CA 3.45Å; D87-K119 VanDerWaalsContact OD1-CD 3.23Å; D87-K119 WeakPolarHBondContact OD1-CD 3.28Å; D87-K119 VanDerWaalsContact OD2-CD 3.29Å; D87-K119 WeakPolarHBondContact OD2-CD 3.39Å; D87-K119 IonicContact OD2-NZ 3.84Å; D87-K119 PolarHBondContact OD2-NZ 2.97Å; D87-K120 PolarHBondContact OD1-N 3.43Å
88G92.1Very high94.5Very high63 Ų6358.2 Ų58.265%0.64931%0.312SS*.THydrogen-bonded Turntrans87.5-2.6-176.700000115E86 K120E86-G88 PolarHBondContact O-N 2.77Å; G88-K120 PolarHBondContact N-O 2.91Å
89T93.3Very high94.3Very high49 Ų4958.5 Ų58.530%0.30132%0.321SS..  trans-70.6137.9-179.8-52.30000111.7F85 E86 V91 T122F85-T89 HydrophobicContact CB-CG2 4.45Å; F85-T89 HydrophobicContact CD1-CG2 4.12Å; E86-T89 VanDerWaalsContact O-CB 3.26Å; E86-T89 WeakPolarHBondContact O-CB 3.29Å; E86-T89 PolarHBondContact O-N 2.95Å; E86-T89 VanDerWaalsContact O-N 3.13Å; E86-T89 PolarHBondContact O-OG1 2.68Å; T89-V91 PolarHBondContact O-N 3.09Å; T89-T122 PolarHBondContact O-N 3.23Å
90E95.1Very high94.3Very high97 Ų9760.8 Ų60.845%0.45334%0.344SS..EExtended strand (participates in β ladder)trans-84.7107.1169.2-169.8-175.7156.800110.1T92 T122 K124E90-T92 HydrophobicContact CG-CG2 3.95Å; E90-T92 PolarHBondContact O-N 3Å; E90-T122 CarbonylContact C-O 3.57Å; E90-T122 WeakPolarHBondContact CA-O 3.21Å; E90-T122 HydrophobicContact CG-CG2 4.3Å; E90-K124 HydrophobicContact CG-CD 4.42Å; E90-K124 WeakPolarHBondContact OE1-CD 3.06Å; E90-K124 WeakPolarHBondContact OE1-CE 3.43Å; E90-K124 IonicContact OE1-NZ 3.86Å; E90-K124 PolarHBondContact OE1-NZ 2.8Å
91V95.2Very high94.3Very high0 Ų058.5 Ų58.50%033%0.331CS..EExtended strand (participates in β ladder)trans-88100.2179.8-176.20000109.3L82 F85 T89 L96 L121 T122 V123 K124L82-V91 HydrophobicContact CD2-CG1 3.98Å; F85-V91 HydrophobicContact CB-CG2 4.35Å; F85-V91 HydrophobicContact CD1-CG2 4.47Å; F85-V91 HydrophobicContact CD2-CG1 4.44Å; F85-V91 HydrophobicContact CD2-CG2 3.81Å; F85-V91 HydrophobicContact CE2-CG1 4.01Å; F85-V91 HydrophobicContact CE2-CG2 4.19Å; F85-V91 HydrophobicContact CG-CG2 3.96Å; F85-V91 HydrophobicContact CZ-CG1 4.34Å; T89-V91 PolarHBondContact O-N 3.09Å; V91-L96 HydrophobicContact CG1-CD1 4.06Å; V91-L96 HydrophobicContact CG1-CD2 3.71Å; V91-L96 HydrophobicContact CG1-CG 3.74Å; V91-L121 HydrophobicContact CG2-CB 4.36Å; V91-L121 HydrophobicContact CG2-CD1 4.14Å; V91-L121 HydrophobicContact CG2-CD2 4.38Å; V91-T122 PolarHBondContact N-O 3.29Å; V91-V123 HydrophobicContact CB-CG2 4.49Å; V91-K124 PolarHBondContact O-N 2.97Å
92T95.5Very high94.3Very high35 Ų3557.3 Ų57.322%0.21533%0.325CS..  trans-101.5166.2176.267.50000111.5E90 V94 A95 L96 K124E90-T92 HydrophobicContact CG-CG2 3.95Å; E90-T92 PolarHBondContact O-N 3Å; T92-V94 PolarHBondContact O-N 3.03Å; T92-A95 PolarHBondContact O-N 3.33Å; T92-A95 PolarHBondContact OG1-N 3.36Å; T92-L96 WeakPolarHBondContact O-CG 3.44Å; T92-L96 PolarHBondContact O-N 3.32Å; T92-K124 HydrophobicContact CG2-CD 4.31Å; T92-K124 HydrophobicContact CG2-CG 4.48Å
93P94.5Very high94.2Very high20 Ų2066.8 Ų66.813%0.1337%0.366CS..Hα-helixtrans-55.7-40.4172.8-25.634.6000113.2A95 L96 V97 E105 I109 I146P93-A95 PolarHBondContact O-N 3.45Å; P93-L96 WeakPolarHBondContact O-CB 3.48Å; P93-L96 PolarHBondContact O-N 3.31Å; P93-V97 WeakPolarHBondContact O-CG2 3.25Å; P93-V97 PolarHBondContact O-N 3.21Å; P93-E105 WeakPolarHBondContact CB-OE1 3.23Å; P93-I109 HydrophobicContact CB-CD1 3.68Å; P93-I109 HydrophobicContact CG-CD1 4.28Å; P93-I146 HydrophobicContact CG-CD1 3.52Å
94V94.3Very high94.2Very high86 Ų8670.1 Ų70.152%0.52138%0.383SS..Hα-helixtrans-61.5-46.9177.1-176.80000110.7T92 L96 V97 E98T92-V94 PolarHBondContact O-N 3.03Å; V94-L96 VanDerWaalsContact C-N 3.28Å; V94-L96 PolarHBondContact O-N 3.04Å; V94-V97 PolarHBondContact O-N 3.19Å; V94-V97 VanDerWaalsContact O-N 3.07Å; V94-E98 HydrophobicContact CG1-CG 4.44Å; V94-E98 WeakPolarHBondContact O-CG 3.15Å; V94-E98 PolarHBondContact O-N 3.18Å
95A94.7Very high94.1Very high20 Ų2064.8 Ų64.817%0.16537%0.366CS..Hα-helixtrans-61-36.8177.600000112.3T92 P93 V97 A99T92-A95 PolarHBondContact O-N 3.33Å; T92-A95 PolarHBondContact OG1-N 3.36Å; P93-A95 PolarHBondContact O-N 3.45Å; A95-V97 VanDerWaalsContact C-N 3.33Å; A95-A99 VanDerWaalsContact O-CB 3.25Å; A95-A99 WeakPolarHBondContact O-CB 3.26Å; A95-A99 PolarHBondContact O-N 2.78Å
96L95.5Very high94.1Very high1 Ų169 Ų691%0.00539%0.385CS..Hα-helixtrans-68.1-32.6176-70168.1000112.6I77 L82 F85 V91 T92 P93 V94 I101 V102 I109I77-L96 HydrophobicContact CD1-CD1 3.69Å; I77-L96 HydrophobicContact CD1-CD2 4.03Å; L82-L96 HydrophobicContact CD2-CD2 4.37Å; F85-L96 HydrophobicContact CE2-CD2 3.87Å; F85-L96 HydrophobicContact CZ-CD2 4.07Å; V91-L96 HydrophobicContact CG1-CD1 4.06Å; V91-L96 HydrophobicContact CG1-CD2 3.71Å; V91-L96 HydrophobicContact CG1-CG 3.74Å; T92-L96 WeakPolarHBondContact O-CG 3.44Å; T92-L96 PolarHBondContact O-N 3.32Å; P93-L96 WeakPolarHBondContact O-CB 3.48Å; P93-L96 PolarHBondContact O-N 3.31Å; V94-L96 VanDerWaalsContact C-N 3.28Å; V94-L96 PolarHBondContact O-N 3.04Å; L96-I101 HydrophobicContact CD2-CB 4.24Å; L96-I101 HydrophobicContact CD2-CD1 3.86Å; L96-I101 HydrophobicContact CD2-CG2 4.07Å; L96-I101 WeakPolarHBondContact O-CB 3.47Å; L96-I101 PolarHBondContact O-N 3.25Å; L96-V102 HydrophobicContact CB-CB 4.4Å; L96-V102 HydrophobicContact CB-CG2 4.16Å; L96-V102 PolarHBondContact O-N 3.5Å; L96-I109 HydrophobicContact CB-CD1 4.17Å; L96-I109 HydrophobicContact CD1-CD1 3.51Å; L96-I109 HydrophobicContact CD1-CG2 4.12Å; L96-I109 HydrophobicContact CG-CD1 4.49Å
97V94.9Very high94.1Very high60 Ų6065.2 Ų65.236%0.36438%0.375SS..Hα-helixtrans-72.6-46.3174.8175.10000111.2P93 V94 A95 A99 G100 V102 E105P93-V97 WeakPolarHBondContact O-CG2 3.25Å; P93-V97 PolarHBondContact O-N 3.21Å; V94-V97 PolarHBondContact O-N 3.19Å; V94-V97 VanDerWaalsContact O-N 3.07Å; A95-V97 VanDerWaalsContact C-N 3.33Å; V97-A99 VanDerWaalsContact C-N 3.32Å; V97-A99 PolarHBondContact O-N 2.89Å; V97-G100 WeakPolarHBondContact O-CA 3.26Å; V97-G100 PolarHBondContact O-N 3.46Å; V97-V102 VanDerWaalsContact CA-O 3.29Å; V97-V102 WeakPolarHBondContact CA-O 3.41Å; V97-V102 WeakPolarHBondContact CG2-O 2.82Å; V97-E105 HydrophobicContact CG2-CG 4.06Å; V97-E105 WeakPolarHBondContact CG2-OE1 3.32Å
98E94.3Very high94.2Very high161 Ų16161.8 Ų61.875%0.75236%0.36SS*.Hα-helixtrans-62.2-38.7178-71.4179.6169.400112.3V94 G100V94-E98 HydrophobicContact CG1-CG 4.44Å; V94-E98 WeakPolarHBondContact O-CG 3.15Å; V94-E98 PolarHBondContact O-N 3.18Å; E98-G100 PolarHBondContact O-N 2.88Å
99A93.9Very high94.5Very high51 Ų5158.8 Ų58.842%0.42133%0.329SS..THydrogen-bonded Turntrans-70.6-3.9173.800000113.8F85 A95 V97 I101F85-A99 HydrophobicContact CE1-CB 4.33Å; F85-A99 HydrophobicContact CZ-CB 4.02Å; A95-A99 VanDerWaalsContact O-CB 3.25Å; A95-A99 WeakPolarHBondContact O-CB 3.26Å; A95-A99 PolarHBondContact O-N 2.78Å; V97-A99 VanDerWaalsContact C-N 3.32Å; V97-A99 PolarHBondContact O-N 2.89Å; A99-I101 HydrophobicContact CB-CD1 3.78Å; A99-I101 HydrophobicContact CB-CG1 4.03Å; A99-I101 PolarHBondContact O-N 2.64Å
100G94.7Very high94.7Very high48 Ų4859.8 Ų59.850%0.49533%0.329SS..THydrogen-bonded Turntrans68.514.9-177.600000114.2V97 E98V97-G100 WeakPolarHBondContact O-CA 3.26Å; V97-G100 PolarHBondContact O-N 3.46Å; E98-G100 PolarHBondContact O-N 2.88Å
101I94.5Very high94.8Very high35 Ų3555.2 Ų55.218%0.17931%0.308CS..SBendtrans-75.5-44.7178.6-66.7163.3000109.8I77 V81 F85 L96 A99I77-I101 HydrophobicContact CG2-CG2 4.06Å; V81-I101 HydrophobicContact CG1-CB 4.22Å; V81-I101 HydrophobicContact CG1-CD1 3.73Å; V81-I101 HydrophobicContact CG1-CG1 3.71Å; V81-I101 HydrophobicContact CG1-CG2 3.47Å; V81-I101 VanDerWaalsContact CG1-CG2 3.47Å; F85-I101 HydrophobicContact CE2-CD1 3.55Å; F85-I101 HydrophobicContact CZ-CD1 3.71Å; L96-I101 HydrophobicContact CD2-CB 4.24Å; L96-I101 HydrophobicContact CD2-CD1 3.86Å; L96-I101 HydrophobicContact CD2-CG2 4.07Å; L96-I101 WeakPolarHBondContact O-CB 3.47Å; L96-I101 PolarHBondContact O-N 3.25Å; A99-I101 HydrophobicContact CB-CD1 3.78Å; A99-I101 HydrophobicContact CB-CG1 4.03Å; A99-I101 PolarHBondContact O-N 2.64Å
102V95.1Very high94.9Very high9 Ų957.8 Ų57.86%0.05532%0.321CS..  trans-116.3122.5176.1178.50000109A75 I77 L96 V97 E105 I109A75-V102 HydrophobicContact CB-CG1 3.83Å; I77-V102 HydrophobicContact CG2-CG2 3.66Å; L96-V102 HydrophobicContact CB-CB 4.4Å; L96-V102 HydrophobicContact CB-CG2 4.16Å; L96-V102 PolarHBondContact O-N 3.5Å; V97-V102 VanDerWaalsContact CA-O 3.29Å; V97-V102 WeakPolarHBondContact CA-O 3.41Å; V97-V102 WeakPolarHBondContact CG2-O 2.82Å; V102-E105 HydrophobicContact CG1-CG 4.24Å; V102-I109 HydrophobicContact CB-CD1 4.46Å; V102-I109 HydrophobicContact CG1-CD1 4.42Å; V102-I109 HydrophobicContact CG2-CD1 4.12Å
103K94Very high94.9Very high199 Ų19956.6 Ų56.687%0.86532%0.316SS*.SBendtrans-92.2-28.9175.1-65.9-176.1179.8-1780113.4
104N93.1Very high94.9Very high116 Ų11661 Ų6162%0.6234%0.339SS*.  trans-142.9115.1-178.7-178.7-9.3000108.4A75 K106A75-N104 WeakPolarHBondContact CB-O 3.4Å; N104-K106 PolarHBondContact O-N 2.88Å; N104-K106 PolarHBondContact OD1-N 3.14Å
105E91.1Very high95Very high70 Ų7058.9 Ų58.933%0.32733%0.334SS..  trans-71.1-13.9-176.3-60.5-178.1176.700113.1A75 P93 V97 V102 A107 G108 I109A75-E105 PolarHBondContact N-O 3.49Å; P93-E105 WeakPolarHBondContact CB-OE1 3.23Å; V97-E105 HydrophobicContact CG2-CG 4.06Å; V97-E105 WeakPolarHBondContact CG2-OE1 3.32Å; V102-E105 HydrophobicContact CG1-CG 4.24Å; E105-A107 PolarHBondContact O-N 3.46Å; E105-G108 CarbonylContact O-C 3.22Å; E105-G108 WeakPolarHBondContact O-CA 3.49Å; E105-G108 PolarHBondContact O-N 2.98Å; E105-I109 HydrophobicContact CG-CD1 4.47Å; E105-I109 HydrophobicContact CG-CG1 4.46Å
106K93.9Very high94.8Very high117 Ų11761.2 Ų61.251%0.50935%0.349SS..BIsolated β-bridgetrans53.9-119.9-174.1-53.8-173.1176-172.60111.1E73 N104 G108E73-K106 HydrophobicContact CB-CD 3.77Å; E73-K106 WeakPolarHBondContact O-CB 3.33Å; E73-K106 IonicContact OE2-NZ 2.68Å; E73-K106 PolarHBondContact OE2-NZ 3.11Å; N104-K106 PolarHBondContact O-N 2.88Å; N104-K106 PolarHBondContact OD1-N 3.14Å; K106-G108 VanDerWaalsContact C-N 3.3Å
107A94Very high94.8Very high46 Ų4661.8 Ų61.838%0.3835%0.352SS..THydrogen-bonded Turntrans-90.613.7174.800000113.6K72 E73 Y74 E105K72-A107 HydrophobicContact CB-CB 3.87Å; K72-A107 HydrophobicContact CD-CB 4.4Å; K72-A107 HydrophobicContact CG-CB 4.16Å; E73-A107 WeakPolarHBondContact O-CB 3.3Å; E73-A107 PolarHBondContact O-N 3.05Å; Y74-A107 WeakPolarHBondContact CE1-O 3.21Å; E105-A107 PolarHBondContact O-N 3.46Å
108G95.6Very high94.6Very high14 Ų1465 Ų6514%0.14437%0.367CS..  trans121.9170.8-174.500000112.1Y74 A75 E105 K106Y74-G108 CarbonylContact C-O 3.51Å; Y74-G108 WeakPolarHBondContact CA-O 3.42Å; Y74-G108 VanDerWaalsContact CB-O 3.3Å; Y74-G108 WeakPolarHBondContact CB-O 3.37Å; Y74-G108 VanDerWaalsContact CD1-O 3.28Å; Y74-G108 WeakPolarHBondContact CD1-O 3.33Å; A75-G108 PolarHBondContact N-O 3.36Å; E105-G108 CarbonylContact O-C 3.22Å; E105-G108 WeakPolarHBondContact O-CA 3.49Å; E105-G108 PolarHBondContact O-N 2.98Å; K106-G108 VanDerWaalsContact C-N 3.3Å
109I96.9Very high94.5Very high1 Ų159.6 Ų59.61%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-92.6135.7-177.8-59.5174.6000110.2A75 I77 P93 L96 V102 E105 A125 A126 K127A75-I109 HydrophobicContact CB-CG1 4.24Å; A75-I109 CarbonylContact O-C 3.52Å; A75-I109 WeakPolarHBondContact O-CA 3.35Å; I77-I109 HydrophobicContact CD1-CG2 4.03Å; I77-I109 HydrophobicContact CG1-CG2 4Å; I77-I109 HydrophobicContact CG2-CG2 4.48Å; P93-I109 HydrophobicContact CB-CD1 3.68Å; P93-I109 HydrophobicContact CG-CD1 4.28Å; L96-I109 HydrophobicContact CB-CD1 4.17Å; L96-I109 HydrophobicContact CD1-CD1 3.51Å; L96-I109 HydrophobicContact CD1-CG2 4.12Å; L96-I109 HydrophobicContact CG-CD1 4.49Å; V102-I109 HydrophobicContact CB-CD1 4.46Å; V102-I109 HydrophobicContact CG1-CD1 4.42Å; V102-I109 HydrophobicContact CG2-CD1 4.12Å; E105-I109 HydrophobicContact CG-CD1 4.47Å; E105-I109 HydrophobicContact CG-CG1 4.46Å; I109-A125 HydrophobicContact CB-CB 4.44Å; I109-A125 HydrophobicContact CG2-CB 4.44Å; I109-A126 WeakPolarHBondContact O-CB 3.25Å; I109-A126 PolarHBondContact O-N 2.83Å; I109-K127 PolarHBondContact O-N 3.16Å; I109-K127 VanDerWaalsContact O-N 3.16Å
110K97.5Very high94.6Very high70 Ų7063.2 Ų63.230%0.30435%0.347SS..EExtended strand (participates in β ladder)trans-116.8124.2172.5-179173.1-176.6-1740110.4Y74 A75 V76 I77 L112 K127Y74-K110 HydrophobicContact CD1-CB 4.49Å; Y74-K110 HydrophobicContact CG-CB 4.15Å; A75-K110 PolarHBondContact O-N 3.18Å; V76-K110 WeakPolarHBondContact CA-O 3.46Å; I77-K110 PolarHBondContact N-O 3.21Å; I77-K110 VanDerWaalsContact N-O 3.07Å; K110-L112 HydrophobicContact CD-CD2 4.25Å; K110-L112 HydrophobicContact CG-CD2 4.24Å; K110-K127 CarbonylContact C-O 3.52Å; K110-K127 WeakPolarHBondContact CA-O 3.46Å; K110-K127 HydrophobicContact CB-CB 4.09Å; K110-K127 HydrophobicContact CD-CB 4.1Å; K110-K127 HydrophobicContact CG-CB 3.79Å
111V97.1Very high94.6Very high0 Ų061 Ų610%032%0.324CS..EExtended strand (participates in β ladder)trans-92.8125.2177.1-169.80000110.2I77 L79 L82 V123 A125 K127 F128 S129 A132 I136I77-V111 HydrophobicContact CD1-CG2 4.09Å; I77-V111 HydrophobicContact CG1-CB 4.43Å; I77-V111 HydrophobicContact CG1-CG1 4.42Å; I77-V111 HydrophobicContact CG1-CG2 4Å; L79-V111 HydrophobicContact CD2-CG1 4.2Å; L82-V111 HydrophobicContact CD1-CG1 4.43Å; V111-V123 HydrophobicContact CG2-CG1 4.1Å; V111-A125 HydrophobicContact CG2-CB 3.75Å; V111-K127 PolarHBondContact N-O 3.27Å; V111-F128 HydrophobicContact CB-CD1 3.64Å; V111-F128 HydrophobicContact CB-CE1 3.87Å; V111-F128 HydrophobicContact CG1-CD1 4.34Å; V111-F128 HydrophobicContact CG2-CD1 3.86Å; V111-F128 HydrophobicContact CG2-CE1 3.56Å; V111-F128 HydrophobicContact CG2-CZ 4.29Å; V111-S129 PolarHBondContact O-N 3.22Å; V111-A132 HydrophobicContact CG1-CB 4.08Å; V111-I136 HydrophobicContact CG1-CD1 4.44Å
112L97.7Very high94.7Very high54 Ų5461.3 Ų61.328%0.28333%0.328SS..  trans-108.9153.9176-63.3-174000110.8V76 I77 N78 K110 N114V76-L112 HydrophobicContact CG1-CB 4.5Å; V76-L112 HydrophobicContact CG1-CD1 3.36Å; V76-L112 HydrophobicContact CG1-CG 3.75Å; I77-L112 PolarHBondContact O-N 3.02Å; N78-L112 WeakPolarHBondContact CA-O 3.36Å; N78-L112 VanDerWaalsContact OD1-CB 3.26Å; N78-L112 WeakPolarHBondContact OD1-CB 3.37Å; K110-L112 HydrophobicContact CD-CD2 4.25Å; K110-L112 HydrophobicContact CG-CD2 4.24Å; L112-N114 VanDerWaalsContact C-N 3.33Å; L112-N114 PolarHBondContact O-N 2.99Å
113G95.3Very high94.7Very high11 Ų1160.9 Ų60.911%0.11333%0.325CS..  trans-89.826.2-170.800000115.3S129 H131G113-S129 PolarHBondContact N-OG 3.26Å; G113-H131 PolarHBondContact O-CD2 3.16Å
114N95.9Very high94.8Very high113 Ų11353.4 Ų53.460%0.60429%0.292SS*.  trans-81.7141.2174.9-165.821000110.2N78 L79 L112N78-N114 HydrophobicContact CB-CB 4.16Å; N78-N114 WeakPolarHBondContact CB-O 3.42Å; N78-N114 WeakPolarHBondContact OD1-CB 3.43Å; L79-N114 WeakPolarHBondContact CB-O 3.47Å; L79-N114 PolarHBondContact N-O 2.96Å; L112-N114 VanDerWaalsContact C-N 3.33Å; L112-N114 PolarHBondContact O-N 2.99Å
115G94.5Very high95Very high41 Ų4147.9 Ų47.942%0.42326%0.263SS..SBendtrans87.8-178.5-178.100000114.1
116S91.9Very high95.3Very high68 Ų6845.6 Ų45.648%0.47626%0.256SS..  trans-102.9150.6175.657.20000111.1N83N83-S116 PolarHBondContact ND2-O 3.07Å
117L94Very high95.4Very high13 Ų1344.5 Ų44.57%0.06825%0.251CS..  trans-120.8113.8170.1-178.667.7000108.2L79 L82 K119 L121 T135 I136 A139L79-L117 HydrophobicContact CB-CB 4.29Å; L82-L117 HydrophobicContact CB-CD1 3.83Å; L117-K119 HydrophobicContact CD1-CB 4.35Å; L117-K119 WeakPolarHBondContact CG-O 3.4Å; L117-L121 HydrophobicContact CD1-CD1 4.01Å; L117-T135 HydrophobicContact CB-CG2 4.44Å; L117-I136 HydrophobicContact CD2-CB 4.26Å; L117-I136 HydrophobicContact CD2-CG1 3.7Å; L117-A139 HydrophobicContact CD2-CB 4.24Å; L117-A139 HydrophobicContact CG-CB 4.38Å
118D92Very high95.6Very high128 Ų12843.9 Ų43.968%0.68424%0.24SC*.  trans-99.6-7.3-179.9-56.4-46.4000111.9N83N83-D118 PolarHBondContact OD1-N 3.17Å
119K92.5Very high95.6Very high47 Ų4744.5 Ų44.520%0.20424%0.242CC..SBendtrans-103.5143-173.2-65.7-70.5-174.2169.30112.6E86 D87 L117 L121E86-K119 IonicContact OE2-NZ 2.99Å; E86-K119 PolarHBondContact OE2-NZ 3.06Å; D87-K119 VanDerWaalsContact CG-CD 3.46Å; D87-K119 WeakPolarHBondContact OD1-CA 3.45Å; D87-K119 VanDerWaalsContact OD1-CD 3.23Å; D87-K119 WeakPolarHBondContact OD1-CD 3.28Å; D87-K119 VanDerWaalsContact OD2-CD 3.29Å; D87-K119 WeakPolarHBondContact OD2-CD 3.39Å; D87-K119 IonicContact OD2-NZ 3.84Å; D87-K119 PolarHBondContact OD2-NZ 2.97Å; L117-K119 HydrophobicContact CD1-CB 4.35Å; L117-K119 WeakPolarHBondContact CG-O 3.4Å; K119-L121 HydrophobicContact CB-CD1 4.14Å; K119-L121 HydrophobicContact CB-CD2 4.28Å; K119-L121 HydrophobicContact CB-CG 3.95Å; K119-L121 PolarHBondContact O-N 3.07Å
120K94.6Very high95.6Very high128 Ų12852 Ų5256%0.55728%0.275SS*.  trans-84.4101.6172.7-72.3177.8-177-175.50109.9D87 G88 A139D87-K120 PolarHBondContact OD1-N 3.43Å; G88-K120 PolarHBondContact N-O 2.91Å; K120-A139 WeakPolarHBondContact CG-O 3.48Å
121L95.3Very high95.6Very high2 Ų254 Ų541%0.0129%0.285CS..  trans-124.6148.2-174.6-58.8173.9000111.9L82 F85 E86 V91 L117 K119 V123 G141 S142L82-L121 HydrophobicContact CB-CD1 3.8Å; L82-L121 WeakPolarHBondContact O-CD1 3.39Å; F85-L121 HydrophobicContact CB-CD1 4.31Å; F85-L121 HydrophobicContact CB-CD2 3.9Å; E86-L121 WeakPolarHBondContact O-CD2 3.49Å; V91-L121 HydrophobicContact CG2-CB 4.36Å; V91-L121 HydrophobicContact CG2-CD1 4.14Å; V91-L121 HydrophobicContact CG2-CD2 4.38Å; L117-L121 HydrophobicContact CD1-CD1 4.01Å; K119-L121 HydrophobicContact CB-CD1 4.14Å; K119-L121 HydrophobicContact CB-CD2 4.28Å; K119-L121 HydrophobicContact CB-CG 3.95Å; K119-L121 PolarHBondContact O-N 3.07Å; L121-V123 HydrophobicContact CB-CG2 4.08Å; L121-G141 CarbonylContact O-C 3.56Å; L121-G141 WeakPolarHBondContact O-CA 3.16Å; L121-S142 PolarHBondContact O-N 3.11Å; L121-S142 VanDerWaalsContact O-N 3.08Å
122T95.9Very high95.6Very high40 Ų4054 Ų5425%0.24529%0.285CS..EExtended strand (participates in β ladder)trans-96.3109.1165.9-60.70000107.9T89 E90 V91 S142T89-T122 PolarHBondContact O-N 3.23Å; E90-T122 CarbonylContact C-O 3.57Å; E90-T122 WeakPolarHBondContact CA-O 3.21Å; E90-T122 HydrophobicContact CG-CG2 4.3Å; V91-T122 PolarHBondContact N-O 3.29Å; T122-S142 CarbonylContact C-O 3.6Å; T122-S142 WeakPolarHBondContact CA-O 3.31Å; T122-S142 WeakPolarHBondContact CG2-OG 3.33Å; T122-S142 PolarHBondContact OG1-OG 2.84Å
123V96.3Very high95.5Very high1 Ų154.9 Ų54.91%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-105.3120.6-172.7-1720000111L82 V91 V111 L121 F128 I136 S142 I143 E144L82-V123 HydrophobicContact CD1-CG2 4.18Å; V91-V123 HydrophobicContact CB-CG2 4.49Å; V111-V123 HydrophobicContact CG2-CG1 4.1Å; L121-V123 HydrophobicContact CB-CG2 4.08Å; V123-F128 HydrophobicContact CB-CE1 4.08Å; V123-F128 HydrophobicContact CB-CZ 4.28Å; V123-F128 HydrophobicContact CG1-CE1 3.71Å; V123-F128 HydrophobicContact CG1-CZ 3.95Å; V123-F128 WeakPolarHBondContact O-CZ 3.42Å; V123-I136 HydrophobicContact CB-CD1 4.37Å; V123-I136 HydrophobicContact CG2-CD1 4.11Å; V123-I136 HydrophobicContact CG2-CG2 4.45Å; V123-S142 PolarHBondContact N-O 3.26Å; V123-I143 WeakPolarHBondContact O-CA 3.13Å; V123-E144 PolarHBondContact O-N 2.87Å
124K96.5Very high95.5Very high41 Ų4158.6 Ų58.618%0.17830%0.302CS..EExtended strand (participates in β ladder)trans-106.8115.6175.6-50.4-159.5175.6179.90110.4E90 V91 T92 E144 I146E90-K124 HydrophobicContact CG-CD 4.42Å; E90-K124 WeakPolarHBondContact OE1-CD 3.06Å; E90-K124 WeakPolarHBondContact OE1-CE 3.43Å; E90-K124 IonicContact OE1-NZ 3.86Å; E90-K124 PolarHBondContact OE1-NZ 2.8Å; V91-K124 PolarHBondContact O-N 2.97Å; T92-K124 HydrophobicContact CG2-CD 4.31Å; T92-K124 HydrophobicContact CG2-CG 4.48Å; K124-E144 WeakPolarHBondContact CA-O 3.45Å; K124-E144 HydrophobicContact CD-CB 4.39Å; K124-E144 WeakPolarHBondContact CD-OE2 3.42Å; K124-E144 WeakPolarHBondContact CE-OE2 3.4Å; K124-E144 HydrophobicContact CG-CB 4.11Å; K124-E144 IonicContact NZ-OE1 3.6Å; K124-E144 IonicContact NZ-OE2 2.8Å; K124-E144 PolarHBondContact NZ-OE2 2.9Å; K124-I146 HydrophobicContact CB-CD1 4.45Å
125A96.3Very high95.5Very high0 Ų054.8 Ų54.80%028%0.283CS..EExtended strand (participates in β ladder)trans-150.4161-179.600000111.9I109 V111 K127 F128 E144 V145 I146I109-A125 HydrophobicContact CB-CB 4.44Å; I109-A125 HydrophobicContact CG2-CB 4.44Å; V111-A125 HydrophobicContact CG2-CB 3.75Å; A125-K127 VanDerWaalsContact C-N 3.34Å; A125-K127 PolarHBondContact O-N 2.87Å; A125-F128 HydrophobicContact CB-CE1 4.17Å; A125-F128 HydrophobicContact CB-CE2 3.84Å; A125-F128 HydrophobicContact CB-CZ 3.54Å; A125-E144 PolarHBondContact N-O 3.08Å; A125-E144 VanDerWaalsContact N-O 3.12Å; A125-V145 WeakPolarHBondContact O-CA 3.45Å; A125-I146 PolarHBondContact O-N 3.06Å
126A96.7Very high95.5Very high23 Ų2352.8 Ų52.819%0.1926%0.263CS..SBendtrans-70.6-30-177.600000113.1Y74 I109 I146Y74-A126 HydrophobicContact CD1-CB 4.2Å; Y74-A126 HydrophobicContact CE1-CB 3.9Å; I109-A126 WeakPolarHBondContact O-CB 3.25Å; I109-A126 PolarHBondContact O-N 2.83Å; A126-I146 WeakPolarHBondContact CA-O 3.46Å
127K96.7Very high95.6Very high93 Ų9354.2 Ų54.240%0.40426%0.262SS..EExtended strand (participates in β ladder)trans-147.9147.9177-70.1-167.5171.7174.10112.2Y74 I109 K110 V111 A125Y74-K127 HydrophobicContact CD2-CD 4.41Å; Y74-K127 HydrophobicContact CE1-CD 4.1Å; Y74-K127 HydrophobicContact CE1-CG 4.1Å; Y74-K127 HydrophobicContact CE2-CD 3.85Å; Y74-K127 WeakPolarHBondContact OH-CE 3.29Å; Y74-K127 PolarHBondContact OH-NZ 3.27Å; I109-K127 PolarHBondContact O-N 3.16Å; I109-K127 VanDerWaalsContact O-N 3.16Å; K110-K127 CarbonylContact C-O 3.52Å; K110-K127 WeakPolarHBondContact CA-O 3.46Å; K110-K127 HydrophobicContact CB-CB 4.09Å; K110-K127 HydrophobicContact CD-CB 4.1Å; K110-K127 HydrophobicContact CG-CB 3.79Å; V111-K127 PolarHBondContact N-O 3.27Å; A125-K127 VanDerWaalsContact C-N 3.34Å; A125-K127 PolarHBondContact O-N 2.87Å
128F97.6Very high95.6Very high33 Ų3357.7 Ų57.715%0.14529%0.293CS..EExtended strand (participates in β ladder)trans-121.8147170.1-64-95000110V111 V123 A125 I136 I143 V145V111-F128 HydrophobicContact CB-CD1 3.64Å; V111-F128 HydrophobicContact CB-CE1 3.87Å; V111-F128 HydrophobicContact CG1-CD1 4.34Å; V111-F128 HydrophobicContact CG2-CD1 3.86Å; V111-F128 HydrophobicContact CG2-CE1 3.56Å; V111-F128 HydrophobicContact CG2-CZ 4.29Å; V123-F128 HydrophobicContact CB-CE1 4.08Å; V123-F128 HydrophobicContact CB-CZ 4.28Å; V123-F128 HydrophobicContact CG1-CE1 3.71Å; V123-F128 HydrophobicContact CG1-CZ 3.95Å; V123-F128 WeakPolarHBondContact O-CZ 3.42Å; A125-F128 HydrophobicContact CB-CE1 4.17Å; A125-F128 HydrophobicContact CB-CE2 3.84Å; A125-F128 HydrophobicContact CB-CZ 3.54Å; F128-I136 HydrophobicContact CD1-CD1 4.26Å; F128-I136 HydrophobicContact CE1-CD1 4.16Å; F128-I143 HydrophobicContact CD1-CG2 4.11Å; F128-I143 HydrophobicContact CD2-CD1 4.22Å; F128-I143 HydrophobicContact CE1-CB 4.2Å; F128-I143 HydrophobicContact CE1-CG2 3.84Å; F128-I143 HydrophobicContact CE2-CB 4.27Å; F128-I143 HydrophobicContact CG-CD1 4.29Å; F128-I143 HydrophobicContact CZ-CB 4.06Å; F128-I143 HydrophobicContact CZ-CG2 4.2Å; F128-V145 HydrophobicContact CD2-CG2 4.06Å; F128-V145 HydrophobicContact CE2-CG2 4.2Å
129S97.4Very high95.7Very high27 Ų2752.9 Ų52.919%0.18927%0.27CS..  trans-77.3149.3160.171.40000109.6V111 G113 H131 A132 Q133V111-S129 PolarHBondContact O-N 3.22Å; G113-S129 PolarHBondContact N-OG 3.26Å; S129-H131 PolarHBondContact O-N 3.12Å; S129-A132 WeakPolarHBondContact O-CB 3.46Å; S129-A132 PolarHBondContact O-N 3.31Å; S129-A132 VanDerWaalsContact OG-CB 3.25Å; S129-A132 WeakPolarHBondContact OG-CB 3.45Å; S129-A132 PolarHBondContact OG-N 3.34Å; S129-Q133 PolarHBondContact O-N 3.03Å
130K96.7Very high95.7Very high160 Ų16053.1 Ų53.170%0.69629%0.286SS*.Hα-helixtrans-52.1-45.8178-171.8-176.8-179.2-163.30112A132 Q133 E134K130-A132 PolarHBondContact O-N 2.91Å; K130-Q133 PolarHBondContact O-N 3.18Å; K130-E134 WeakPolarHBondContact CE-OE1 3.46Å; K130-E134 IonicContact NZ-OE1 3.73Å; K130-E134 WeakPolarHBondContact O-CG 3.48Å; K130-E134 PolarHBondContact O-N 3.36Å; K130-E134 VanDerWaalsContact O-N 3.07Å
131H96.6Very high95.7Very high110 Ų11047.8 Ų47.851%0.50927%0.268SS..Hα-helixtrans-65.5-35.9179.2-170.547.9000113.4G113 S129 T135G113-H131 PolarHBondContact O-CD2 3.16Å; S129-H131 PolarHBondContact O-N 3.12Å; H131-T135 WeakPolarHBondContact O-CB 3.45Å; H131-T135 PolarHBondContact O-N 3.07Å; H131-T135 PolarHBondContact O-OG1 2.64Å
132A96.7Very high95.7Very high0 Ų050.1 Ų50.10%029%0.285CS..Hα-helixtrans-64.6-44.5175.100000111.6L79 V111 S129 K130 T135 I136L79-A132 HydrophobicContact CD2-CB 4.3Å; V111-A132 HydrophobicContact CG1-CB 4.08Å; S129-A132 WeakPolarHBondContact O-CB 3.46Å; S129-A132 PolarHBondContact O-N 3.31Å; S129-A132 VanDerWaalsContact OG-CB 3.25Å; S129-A132 WeakPolarHBondContact OG-CB 3.45Å; S129-A132 PolarHBondContact OG-N 3.34Å; K130-A132 PolarHBondContact O-N 2.91Å; A132-T135 PolarHBondContact O-N 3.35Å; A132-I136 WeakPolarHBondContact O-CD1 3.22Å; A132-I136 VanDerWaalsContact O-CG1 3.24Å; A132-I136 WeakPolarHBondContact O-CG1 3.47Å; A132-I136 PolarHBondContact O-N 3.42Å
133Q95.9Very high95.7Very high73 Ų7350 Ų5034%0.34128%0.282SS..Hα-helixtrans-58.4-52.4177172.7174.23.300111S129 K130 T135 I136 E137 I143S129-Q133 PolarHBondContact O-N 3.03Å; K130-Q133 PolarHBondContact O-N 3.18Å; Q133-T135 VanDerWaalsContact C-N 3.27Å; Q133-T135 PolarHBondContact O-N 3.18Å; Q133-I136 PolarHBondContact O-N 3.1Å; Q133-E137 HydrophobicContact CG-CG 4.42Å; Q133-E137 WeakPolarHBondContact CG-OE1 3.31Å; Q133-E137 PolarHBondContact NE2-OE1 3.29Å; Q133-E137 WeakPolarHBondContact O-CB 3.46Å; Q133-E137 WeakPolarHBondContact O-CG 3.48Å; Q133-E137 PolarHBondContact O-N 3.22Å; Q133-I143 HydrophobicContact CB-CD1 3.97Å; Q133-I143 VanDerWaalsContact CD-CD1 3.42Å; Q133-I143 HydrophobicContact CG-CD1 3.48Å; Q133-I143 VanDerWaalsContact CG-CD1 3.48Å; Q133-I143 HydrophobicContact CG-CG1 4.22Å
134E95.5Very high95.7Very high90 Ų9054.1 Ų54.142%0.42130%0.301SS..Hα-helixtrans-56.8-40.9178.9-70.7167.9178.400111.9K130 A138K130-E134 WeakPolarHBondContact CE-OE1 3.46Å; K130-E134 IonicContact NZ-OE1 3.73Å; K130-E134 WeakPolarHBondContact O-CG 3.48Å; K130-E134 PolarHBondContact O-N 3.36Å; K130-E134 VanDerWaalsContact O-N 3.07Å; E134-A138 WeakPolarHBondContact O-CB 3.27Å; E134-A138 PolarHBondContact O-N 3.12Å
135T95Very high95.6Very high32 Ų3257.1 Ų57.120%0.19632%0.323CS..Hα-helixtrans-72-37.5-179.2-500000112.2L79 L117 H131 A132 Q133 A138 A139L79-T135 HydrophobicContact CD1-CG2 3.51Å; L117-T135 HydrophobicContact CB-CG2 4.44Å; H131-T135 WeakPolarHBondContact O-CB 3.45Å; H131-T135 PolarHBondContact O-N 3.07Å; H131-T135 PolarHBondContact O-OG1 2.64Å; A132-T135 PolarHBondContact O-N 3.35Å; Q133-T135 VanDerWaalsContact C-N 3.27Å; Q133-T135 PolarHBondContact O-N 3.18Å; T135-A138 PolarHBondContact O-N 3.11Å; T135-A139 PolarHBondContact O-N 3.1Å
136I95.2Very high95.3Very high0 Ų063.7 Ų63.70%036%0.356CS..Hα-helixtrans-66.4-46.3175.8-67.8162.5000110.6L79 V111 L117 V123 F128 A132 Q133 A138 A139 G140 G141 I143L79-I136 HydrophobicContact CD2-CD1 4.16Å; L79-I136 HydrophobicContact CD2-CG1 3.97Å; V111-I136 HydrophobicContact CG1-CD1 4.44Å; L117-I136 HydrophobicContact CD2-CB 4.26Å; L117-I136 HydrophobicContact CD2-CG1 3.7Å; V123-I136 HydrophobicContact CB-CD1 4.37Å; V123-I136 HydrophobicContact CG2-CD1 4.11Å; V123-I136 HydrophobicContact CG2-CG2 4.45Å; F128-I136 HydrophobicContact CD1-CD1 4.26Å; F128-I136 HydrophobicContact CE1-CD1 4.16Å; A132-I136 WeakPolarHBondContact O-CD1 3.22Å; A132-I136 VanDerWaalsContact O-CG1 3.24Å; A132-I136 WeakPolarHBondContact O-CG1 3.47Å; A132-I136 PolarHBondContact O-N 3.42Å; Q133-I136 PolarHBondContact O-N 3.1Å; I136-A138 VanDerWaalsContact C-N 3.35Å; I136-A139 PolarHBondContact O-N 3.5Å; I136-G140 PolarHBondContact O-N 3.17Å; I136-G141 WeakPolarHBondContact O-CA 3.26Å; I136-G141 PolarHBondContact O-N 3.05Å; I136-I143 HydrophobicContact CB-CG2 4.09Å; I136-I143 HydrophobicContact CD1-CG2 3.82Å; I136-I143 HydrophobicContact CG2-CG2 3.76Å
137E94.9Very high95.2Very high97 Ų9765.7 Ų65.745%0.45336%0.364SS..Hα-helixtrans-64.8-38.8176.8-69.7172.3-174.300111.3Q133 A139 G140Q133-E137 HydrophobicContact CG-CG 4.42Å; Q133-E137 WeakPolarHBondContact CG-OE1 3.31Å; Q133-E137 PolarHBondContact NE2-OE1 3.29Å; Q133-E137 WeakPolarHBondContact O-CB 3.46Å; Q133-E137 WeakPolarHBondContact O-CG 3.48Å; Q133-E137 PolarHBondContact O-N 3.22Å; E137-A139 VanDerWaalsContact C-N 3.33Å; E137-A139 PolarHBondContact O-N 3.46Å; E137-G140 WeakPolarHBondContact O-CA 3.29Å; E137-G140 PolarHBondContact O-N 3.34Å
138A94.3Very high95.2Very high87 Ų8764.3 Ų64.372%0.71936%0.362SS*.Hα-helixtrans-65.1-32.617600000113.4E134 T135 I136 G140E134-A138 WeakPolarHBondContact O-CB 3.27Å; E134-A138 PolarHBondContact O-N 3.12Å; T135-A138 PolarHBondContact O-N 3.11Å; I136-A138 VanDerWaalsContact C-N 3.35Å; A138-G140 PolarHBondContact O-N 3.46Å
139A93.4Very high95Very high26 Ų2666 Ų6622%0.21537%0.374CS..THydrogen-bonded Turntrans-72-10.4171.400000112.7L117 K120 T135 I136 E137L117-A139 HydrophobicContact CD2-CB 4.24Å; L117-A139 HydrophobicContact CG-CB 4.38Å; K120-A139 WeakPolarHBondContact CG-O 3.48Å; T135-A139 PolarHBondContact O-N 3.1Å; I136-A139 PolarHBondContact O-N 3.5Å; E137-A139 VanDerWaalsContact C-N 3.33Å; E137-A139 PolarHBondContact O-N 3.46Å
140G93.1Very high94.9Very high52 Ų5268.3 Ų68.354%0.53639%0.385SS..THydrogen-bonded Turntrans87.417.4-175.900000114I136 E137 A138I136-G140 PolarHBondContact O-N 3.17Å; E137-G140 WeakPolarHBondContact O-CA 3.29Å; E137-G140 PolarHBondContact O-N 3.34Å; A138-G140 PolarHBondContact O-N 3.46Å
141G94.5Very high94.8Very high17 Ų1762.6 Ų62.618%0.17537%0.366CS..  trans-85.4-179.7171.600000113L121 I136L121-G141 CarbonylContact O-C 3.56Å; L121-G141 WeakPolarHBondContact O-CA 3.16Å; I136-G141 WeakPolarHBondContact O-CA 3.26Å; I136-G141 PolarHBondContact O-N 3.05Å
142S95Very high94.6Very high51 Ų5159.4 Ų59.436%0.35736%0.356SS..EExtended strand (participates in β ladder)trans-130.7154.6174.663.20000110.9L121 T122 V123L121-S142 PolarHBondContact O-N 3.11Å; L121-S142 VanDerWaalsContact O-N 3.08Å; T122-S142 CarbonylContact C-O 3.6Å; T122-S142 WeakPolarHBondContact CA-O 3.31Å; T122-S142 WeakPolarHBondContact CG2-OG 3.33Å; T122-S142 PolarHBondContact OG1-OG 2.84Å; V123-S142 PolarHBondContact N-O 3.26Å
143I95.8Very high94.5Very high36 Ų3663.6 Ų63.619%0.18538%0.382CS..EExtended strand (participates in β ladder)trans-118.7143176.662.1153.3000110.8V123 F128 Q133 I136V123-I143 WeakPolarHBondContact O-CA 3.13Å; F128-I143 HydrophobicContact CD1-CG2 4.11Å; F128-I143 HydrophobicContact CD2-CD1 4.22Å; F128-I143 HydrophobicContact CE1-CB 4.2Å; F128-I143 HydrophobicContact CE1-CG2 3.84Å; F128-I143 HydrophobicContact CE2-CB 4.27Å; F128-I143 HydrophobicContact CG-CD1 4.29Å; F128-I143 HydrophobicContact CZ-CB 4.06Å; F128-I143 HydrophobicContact CZ-CG2 4.2Å; Q133-I143 HydrophobicContact CB-CD1 3.97Å; Q133-I143 VanDerWaalsContact CD-CD1 3.42Å; Q133-I143 HydrophobicContact CG-CD1 3.48Å; Q133-I143 VanDerWaalsContact CG-CD1 3.48Å; Q133-I143 HydrophobicContact CG-CG1 4.22Å; I136-I143 HydrophobicContact CB-CG2 4.09Å; I136-I143 HydrophobicContact CD1-CG2 3.82Å; I136-I143 HydrophobicContact CG2-CG2 3.76Å
144E95.8Very high94.4Very high89 Ų8962.9 Ų62.942%0.41639%0.385SS..EExtended strand (participates in β ladder)trans-130.5133.1170-63.5-178.9-164.900110.1V123 K124 A125V123-E144 PolarHBondContact O-N 2.87Å; K124-E144 WeakPolarHBondContact CA-O 3.45Å; K124-E144 HydrophobicContact CD-CB 4.39Å; K124-E144 WeakPolarHBondContact CD-OE2 3.42Å; K124-E144 WeakPolarHBondContact CE-OE2 3.4Å; K124-E144 HydrophobicContact CG-CB 4.11Å; K124-E144 IonicContact NZ-OE1 3.6Å; K124-E144 IonicContact NZ-OE2 2.8Å; K124-E144 PolarHBondContact NZ-OE2 2.9Å; A125-E144 PolarHBondContact N-O 3.08Å; A125-E144 VanDerWaalsContact N-O 3.12Å
145V94.6Very high94.3Very high104 Ų10460.7 Ų60.763%0.6338%0.382SS*.EExtended strand (participates in β ladder)trans-96124.8178.1-176.50000109.4A125 F128A125-V145 WeakPolarHBondContact O-CA 3.45Å; F128-V145 HydrophobicContact CD2-CG2 4.06Å; F128-V145 HydrophobicContact CE2-CG2 4.2Å
146I90Very high94.2Very high137 Ų13763.3 Ų63.370%0.70340%0.399SS*.  trans-117.10179.856.8171.4000112.9P93 K124 A125 A126P93-I146 HydrophobicContact CG-CD1 3.52Å; K124-I146 HydrophobicContact CB-CD1 4.45Å; A125-I146 PolarHBondContact O-N 3.06Å; A126-I146 WeakPolarHBondContact CA-O 3.46Å

Retrieved 146 of 146 residues in 59.9 ms (Link to these results)