A0A093HP15_STRCA Loading...

Heat shock protein beta-3

AlphaFold DB , UniProt , Accession A0A093HP15, Species STRCA (Struthio camelus australis), Gene n/a, Length 149 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
1M40.3Very low41.2Very low245 Ų245170 Ų170100%1.20781%0.809SS**  0110.10-80.5168.9-178.800105.6
2E43.4Very low41.6Very low195 Ų195161.3 Ų161.391%0.91178%0.775SS**  trans-83.8122.9175-72175.5167.300107.7T4E2-T4 PolarHBondContact O-N 3.12Å
3E40.7Very low42.2Very low191 Ų191154.1 Ų154.189%0.89375%0.749SS**  trans-70116.7172.1-88.3-178.2160.900109V5E3-V5 PolarHBondContact O-N 3.34Å
4T35.9Very low43.1Very low136 Ų136151.8 Ų151.883%0.83475%0.748SS**  trans-75.8113.8170.631.30000109.5E2 I6E2-T4 PolarHBondContact O-N 3.12Å; T4-I6 PolarHBondContact O-N 2.84Å
5V44.6Very low43.7Very low121 Ų121150.7 Ų150.773%0.73373%0.733SS**  trans-76.9110.2172178.90000108.8E3 R7E3-V5 PolarHBondContact O-N 3.34Å; V5-R7 HydrophobicContact CG1-CG 4.47Å; V5-R7 PolarHBondContact O-N 3.41Å
6I39.6Very low44.3Very low164 Ų164142.9 Ų142.984%0.84169%0.693SS**  trans-69.8115.1172-61.6167.9000107.8T4T4-I6 PolarHBondContact O-N 2.84Å
7R38.2Very low45.1Very low224 Ų224142.4 Ų142.485%0.84569%0.689SS**  trans-96125.8172.6-65.8-175.2174.3-162.5-2.1108.7V5 W9V5-R7 HydrophobicContact CG1-CG 4.47Å; V5-R7 PolarHBondContact O-N 3.41Å; R7-W9 PolarHBondContact O-N 3.47Å
8H38Very low45.7Very low139 Ų139144.1 Ų144.164%0.64470%0.696SS**  trans-76.9112.3173.8-159.5-77.4000108.6V10H8-V10 WeakPolarHBondContact ND1-CG2 3.47Å; H8-V10 PolarHBondContact O-N 3.33Å
9W39.2Very low46Very low235 Ų235142.7 Ų142.789%0.8969%0.688SS**  trans-83.1108.5169.8-136.7-12.1000106.9R7 E11R7-W9 PolarHBondContact O-N 3.47Å; W9-E11 PolarHBondContact O-N 3.38Å
10V44.7Very low46.4Very low52 Ų52137.6 Ų137.632%0.31566%0.663SS.*  trans-88.490.4174.9-174.40000107H8 T12 Y35H8-V10 WeakPolarHBondContact ND1-CG2 3.47Å; H8-V10 PolarHBondContact O-N 3.33Å; V10-T12 PolarHBondContact O-N 2.96Å; V10-Y35 HydrophobicContact CG1-CE1 4.1Å
11E48.3Very low46.9Very low168 Ų168135 Ų13579%0.78566%0.664SS**  trans-76.7102.3151.4-74.2-172.9170.400105.9W9 P13W9-E11 PolarHBondContact O-N 3.38Å; E11-P13 WeakPolarHBondContact O-CD 3.43Å; E11-P13 VanDerWaalsContact O-N 3.16Å
12T46.6Very low47.7Very low66 Ų66129 Ų12941%0.40564%0.641SS.*  trans-63.4115.8-178-49.70000108.8V10 V14 F20V10-T12 PolarHBondContact O-N 2.96Å; T12-V14 PolarHBondContact O-N 3.47Å; T12-F20 HydrophobicContact CG2-CD2 3.36Å; T12-F20 HydrophobicContact CG2-CE2 3.45Å; T12-F20 VanDerWaalsContact CG2-CE2 3.45Å; T12-F20 HydrophobicContact CG2-CG 4.37Å
13P49Very low48.2Very low67 Ų67125.3 Ų125.344%0.43562%0.624SS.*  trans-57.4140.3174-18.529.5000109.1E11 R15 Y16E11-P13 WeakPolarHBondContact O-CD 3.43Å; E11-P13 VanDerWaalsContact O-N 3.16Å; P13-R15 PolarHBondContact O-N 3.39Å; P13-Y16 HydrophobicContact CB-CD2 4.05Å; P13-Y16 HydrophobicContact CB-CE2 4.32Å; P13-Y16 HydrophobicContact CG-CD2 3.99Å; P13-Y16 HydrophobicContact CG-CE2 4.1Å; P13-Y16 PolarHBondContact O-N 3.46Å
14V54.5Low49Very low122 Ų122123.7 Ų123.774%0.73962%0.616SS**G310 helixtrans-48-29.4179.2177.50000112.1T12 Y16 Q17T12-V14 PolarHBondContact O-N 3.47Å; V14-Y16 PolarHBondContact O-N 3.22Å; V14-Y16 VanDerWaalsContact O-N 3.15Å; V14-Q17 WeakPolarHBondContact O-CB 3.32Å; V14-Q17 PolarHBondContact O-N 3Å
15R51.8Low49.9Very low136 Ų136120.9 Ų120.951%0.51360%0.6SS.*G310 helixtrans-53-30.9176.3-163.2-178.6-144.61174.9115P13P13-R15 PolarHBondContact O-N 3.39Å
16Y53.5Low50.5Low26 Ų26120.8 Ų120.810%0.10259%0.592CS.*G310 helixtrans-107.75.1-173.6-57.6-77.7000113.4P13 V14 E18 E19 F20 L34P13-Y16 HydrophobicContact CB-CD2 4.05Å; P13-Y16 HydrophobicContact CB-CE2 4.32Å; P13-Y16 HydrophobicContact CG-CD2 3.99Å; P13-Y16 HydrophobicContact CG-CE2 4.1Å; P13-Y16 PolarHBondContact O-N 3.46Å; V14-Y16 PolarHBondContact O-N 3.22Å; V14-Y16 VanDerWaalsContact O-N 3.15Å; Y16-E18 PolarHBondContact O-N 3.15Å; Y16-E18 VanDerWaalsContact O-N 3.15Å; Y16-E19 PolarHBondContact O-N 3.03Å; Y16-F20 VanDerWaalsContact CB-CE2 3.45Å; Y16-F20 HydrophobicContact CG-CE2 4.28Å; Y16-F20 WeakPolarHBondContact O-CD2 3.16Å; Y16-F20 PolarHBondContact O-N 3.39Å; Y16-L34 WeakPolarHBondContact CE1-O 3.4Å; Y16-L34 VanDerWaalsContact CZ-O 3.26Å; Y16-L34 PolarHBondContact OH-O 3.44Å
17Q58.1Low51.5Low134 Ų134116.6 Ų116.663%0.62658%0.582SS**THydrogen-bonded Turntrans-60.7-30.3-172-148.6170.512.100112.6V14V14-Q17 WeakPolarHBondContact O-CB 3.32Å; V14-Q17 PolarHBondContact O-N 3Å
18E56.5Low52.3Low173 Ų173108.5 Ų108.581%0.80855%0.553SS**THydrogen-bonded Turntrans-76.9-31.2175.6-62-174.4170.500113.2Y16 A21Y16-E18 PolarHBondContact O-N 3.15Å; Y16-E18 VanDerWaalsContact O-N 3.15Å; E18-A21 WeakPolarHBondContact O-CB 3.11Å; E18-A21 PolarHBondContact O-N 3.17Å
19E52.1Low53.2Low118 Ų118106.9 Ų106.955%0.55154%0.544SS*.THydrogen-bonded Turntrans-75.5-35.6-179.3-65.3-179.3-174.300111.7Y16 A21Y16-E19 PolarHBondContact O-N 3.03Å; E19-A21 VanDerWaalsContact C-N 3.27Å; E19-A21 PolarHBondContact O-N 3.16Å
20F52.4Low54.2Low40 Ų40102.9 Ų102.918%0.17554%0.539CS..THydrogen-bonded Turntrans-77.5-9.1175.2-69.7-71.9000114T12 Y16 V22 Y35T12-F20 HydrophobicContact CG2-CD2 3.36Å; T12-F20 HydrophobicContact CG2-CE2 3.45Å; T12-F20 VanDerWaalsContact CG2-CE2 3.45Å; T12-F20 HydrophobicContact CG2-CG 4.37Å; Y16-F20 VanDerWaalsContact CB-CE2 3.45Å; Y16-F20 HydrophobicContact CG-CE2 4.28Å; Y16-F20 WeakPolarHBondContact O-CD2 3.16Å; Y16-F20 PolarHBondContact O-N 3.39Å; F20-V22 PolarHBondContact O-N 3.01Å; F20-Y35 HydrophobicContact CE2-CE1 4.22Å; F20-Y35 AromaticContact CZ-CE1 3.68Å; F20-Y35 HydrophobicContact CZ-CE1 3.68Å; F20-Y35 AromaticContact CZ-CZ 3.76Å; F20-Y35 WeakPolarHBondContact CZ-OH 3.42Å
21A56.7Low55.1Low83 Ų83103.2 Ų103.269%0.68654%0.539SS*.THydrogen-bonded Turntrans-71.7-13.7176.200000112.9E18 E19E18-A21 WeakPolarHBondContact O-CB 3.11Å; E18-A21 PolarHBondContact O-N 3.17Å; E19-A21 VanDerWaalsContact C-N 3.27Å; E19-A21 PolarHBondContact O-N 3.16Å
22V57.2Low55.4Low119 Ų119101.1 Ų101.172%0.72153%0.529SS*.SBendtrans-104.8-20-168.5-172.50000113.4F20F20-V22 PolarHBondContact O-N 3.01Å
23Q54.4Low56Low118 Ų118100.8 Ų100.855%0.55153%0.529SS*.SBendtrans-150.8156.4-176.2-73.5-172.70.800113.9F28Q23-F28 HydrophobicContact CB-CE2 3.83Å; Q23-F28 VanDerWaalsContact OE1-CE2 3.25Å
24E58.7Low56.3Low156 Ų15699.7 Ų99.773%0.72952%0.52SS*.  trans-58.2125.4-178-79.2-165.516600112.4E26 A27E24-E26 PolarHBondContact O-N 3.46Å; E24-A27 PolarHBondContact O-N 2.58Å; E24-A27 VanDerWaalsContact O-N 3.16Å
25P54.3Low56.6Low78 Ų7896.7 Ų96.751%0.50650%0.495SS..G310 helixtrans-56.2-24.6-176.5-26.132.3000115.2
26E57.8Low57.1Low118 Ų11892.9 Ų92.955%0.55149%0.493SS*.G310 helixtrans-68.1-32.7-178.3-66.6-61.2138.800113E24 F28 K29E24-E26 PolarHBondContact O-N 3.46Å; E26-F28 PolarHBondContact O-N 2.88Å; E26-F28 VanDerWaalsContact O-N 3.17Å; E26-K29 PolarHBondContact O-N 3.24Å; E26-K29 WeakPolarHBondContact OE1-CE 3.29Å; E26-K29 IonicContact OE1-NZ 3.35Å; E26-K29 PolarHBondContact OE1-NZ 3.17Å; E26-K29 VanDerWaalsContact OE2-CD 3.29Å; E26-K29 WeakPolarHBondContact OE2-CD 3.06Å; E26-K29 WeakPolarHBondContact OE2-CE 3.29Å; E26-K29 IonicContact OE2-NZ 3.46Å; E26-K29 PolarHBondContact OE2-NZ 3.48Å
27A59.2Low57.6Low77 Ų7793.7 Ų93.764%0.63650%0.499SS*.G310 helixtrans-66.1-19.3-177.500000113.1E24E24-A27 PolarHBondContact O-N 2.58Å; E24-A27 VanDerWaalsContact O-N 3.16Å
28F55.2Low57.8Low53 Ų5390.7 Ų90.723%0.23249%0.491CS..G310 helixtrans-113.23.1-171.5-67.8-62.3000114.4Q23 E26 L30 D31 L34Q23-F28 HydrophobicContact CB-CE2 3.83Å; Q23-F28 VanDerWaalsContact OE1-CE2 3.25Å; E26-F28 PolarHBondContact O-N 2.88Å; E26-F28 VanDerWaalsContact O-N 3.17Å; F28-L30 PolarHBondContact O-N 3.1Å; F28-L30 VanDerWaalsContact O-N 3.1Å; F28-D31 HydrophobicContact CD1-CB 4.44Å; F28-D31 PolarHBondContact O-N 2.88Å; F28-D31 VanDerWaalsContact O-N 3.08Å; F28-L34 HydrophobicContact CB-CD1 3.6Å; F28-L34 HydrophobicContact CD1-CD1 3.34Å; F28-L34 HydrophobicContact CE1-CD1 4.12Å; F28-L34 HydrophobicContact CG-CD1 3.6Å
29K57.9Low58Low105 Ų10584.5 Ų84.546%0.45747%0.474SS..THydrogen-bonded Turntrans-57.8-26.9179.2-77.1-174.3171.3175.30114.1E26E26-K29 PolarHBondContact O-N 3.24Å; E26-K29 WeakPolarHBondContact OE1-CE 3.29Å; E26-K29 IonicContact OE1-NZ 3.35Å; E26-K29 PolarHBondContact OE1-NZ 3.17Å; E26-K29 VanDerWaalsContact OE2-CD 3.29Å; E26-K29 WeakPolarHBondContact OE2-CD 3.06Å; E26-K29 WeakPolarHBondContact OE2-CE 3.29Å; E26-K29 IonicContact OE2-NZ 3.46Å; E26-K29 PolarHBondContact OE2-NZ 3.48Å
30L59.7Low58.1Low151 Ų15180 Ų8079%0.79146%0.455SS*.THydrogen-bonded Turntrans-101-9-178.5-62.6174000112.9F28 H32F28-L30 PolarHBondContact O-N 3.1Å; F28-L30 VanDerWaalsContact O-N 3.1Å; L30-H32 VanDerWaalsContact C-N 3.34Å; L30-H32 PolarHBondContact O-CD2 3.28Å; L30-H32 PolarHBondContact O-N 3.15Å; L30-H32 VanDerWaalsContact O-N 3.08Å
31D64.2Low58.1Low59 Ų5980.9 Ų80.932%0.31647%0.466SS..  trans-85.882175.1-169.2-5.4000110.1F28 S33 L34F28-D31 HydrophobicContact CD1-CB 4.44Å; F28-D31 PolarHBondContact O-N 2.88Å; F28-D31 VanDerWaalsContact O-N 3.08Å; D31-S33 PolarHBondContact O-N 3.26Å; D31-S33 VanDerWaalsContact O-N 3.08Å; D31-S33 WeakPolarHBondContact OD1-CA 3.05Å; D31-S33 WeakPolarHBondContact OD1-CB 3.34Å; D31-S33 PolarHBondContact OD1-N 2.95Å; D31-S33 PolarHBondContact OD1-OG 2.77Å; D31-S33 PolarHBondContact OD2-OG 2.88Å; D31-L34 HydrophobicContact CB-CD1 3.94Å; D31-L34 HydrophobicContact CB-CG 4.16Å; D31-L34 PolarHBondContact O-N 3.15Å
32H54Low57.8Low125 Ų12579 Ų7958%0.57945%0.446SS*.THydrogen-bonded Turntrans-61.7-13.3175.8-62.2-69.1000113.2L30 L34 A36L30-H32 VanDerWaalsContact C-N 3.34Å; L30-H32 PolarHBondContact O-CD2 3.28Å; L30-H32 PolarHBondContact O-N 3.15Å; L30-H32 VanDerWaalsContact O-N 3.08Å; H32-L34 VanDerWaalsContact C-N 3.34Å; H32-A36 PolarHBondContact O-N 2.79Å
33S59.4Low57.4Low59 Ų5976.3 Ų76.341%0.41344%0.436SS..THydrogen-bonded Turntrans-75-23.1178.982.70000113.2D31 Y35 A36D31-S33 PolarHBondContact O-N 3.26Å; D31-S33 VanDerWaalsContact O-N 3.08Å; D31-S33 WeakPolarHBondContact OD1-CA 3.05Å; D31-S33 WeakPolarHBondContact OD1-CB 3.34Å; D31-S33 PolarHBondContact OD1-N 2.95Å; D31-S33 PolarHBondContact OD1-OG 2.77Å; D31-S33 PolarHBondContact OD2-OG 2.88Å; S33-Y35 VanDerWaalsContact C-N 3.35Å; S33-A36 PolarHBondContact O-N 2.63Å
34L55.9Low56.9Low44 Ų4474.5 Ų74.523%0.2344%0.442CS..THydrogen-bonded Turntrans-68.1-36.4176.4-65.8172.7000112.1Y16 F28 D31 H32Y16-L34 WeakPolarHBondContact CE1-O 3.4Å; Y16-L34 VanDerWaalsContact CZ-O 3.26Å; Y16-L34 PolarHBondContact OH-O 3.44Å; F28-L34 HydrophobicContact CB-CD1 3.6Å; F28-L34 HydrophobicContact CD1-CD1 3.34Å; F28-L34 HydrophobicContact CE1-CD1 4.12Å; F28-L34 HydrophobicContact CG-CD1 3.6Å; D31-L34 HydrophobicContact CB-CD1 3.94Å; D31-L34 HydrophobicContact CB-CG 4.16Å; D31-L34 PolarHBondContact O-N 3.15Å; H32-L34 VanDerWaalsContact C-N 3.34Å
35Y59.4Low56.2Low58 Ų5870.7 Ų70.723%0.22743%0.426CS..SBendtrans-91.7-5.1-179.3-49.9-81.4000112.9V10 F20 S33 L37V10-Y35 HydrophobicContact CG1-CE1 4.1Å; F20-Y35 HydrophobicContact CE2-CE1 4.22Å; F20-Y35 AromaticContact CZ-CE1 3.68Å; F20-Y35 HydrophobicContact CZ-CE1 3.68Å; F20-Y35 AromaticContact CZ-CZ 3.76Å; F20-Y35 WeakPolarHBondContact CZ-OH 3.42Å; S33-Y35 VanDerWaalsContact C-N 3.35Å; Y35-L37 PolarHBondContact O-N 2.98Å
36A62.3Low55.9Low56 Ų5675 Ų7546%0.46343%0.432SS..SBendtrans-76.5121.9179.200000110.1H32 S33H32-A36 PolarHBondContact O-N 2.79Å; S33-A36 PolarHBondContact O-N 2.63Å
37L63.9Low55.2Low43 Ų4374.4 Ų74.423%0.22543%0.433CS..PPolyproline II helixtrans-57140.7168.7-67.4175000109.8Y35 G39 L73 L74 D75 I137Y35-L37 PolarHBondContact O-N 2.98Å; L37-G39 PolarHBondContact O-N 2.61Å; L37-L73 HydrophobicContact CB-CB 4.08Å; L37-L73 HydrophobicContact CD1-CB 4.29Å; L37-L73 HydrophobicContact CD2-CB 4.38Å; L37-L73 HydrophobicContact CG-CB 4.5Å; L37-L74 VanDerWaalsContact CD1-C 3.43Å; L37-D75 HydrophobicContact CD1-CB 3.98Å; L37-I137 HydrophobicContact CD1-CD1 3.91Å; L37-I137 HydrophobicContact CD2-CD1 4.12Å
38P62.4Low54.5Low71 Ų7179.6 Ų79.646%0.46144%0.436SS..PPolyproline II helixtrans-55.6120.7177.921.5-30.9000109.5L73P38-L73 HydrophobicContact CG-CB 4.38Å; P38-L73 HydrophobicContact CG-CD1 4.14Å; P38-L73 HydrophobicContact CG-CD2 4Å; P38-L73 HydrophobicContact CG-CG 4.39Å
39G60.9Low54Low43 Ų4385.6 Ų85.644%0.44346%0.457SS..  trans-66.2174.8171.500000111.3L37 S41L37-G39 PolarHBondContact O-N 2.61Å; G39-S41 PolarHBondContact O-N 3.45Å
40P55Low53.2Low24 Ų2488.4 Ų88.416%0.15647%0.465CS..  trans-51.4113.1178.424-36.1000109.9T42 L45 F70 Q71 V72 Y117P40-T42 PolarHBondContact O-N 3.36Å; P40-L45 HydrophobicContact CG-CD1 4.43Å; P40-L45 WeakPolarHBondContact O-CD1 3.19Å; P40-F70 HydrophobicContact CB-CE2 3.95Å; P40-Q71 WeakPolarHBondContact CA-O 2.93Å; P40-V72 HydrophobicContact CB-CG1 3.55Å; P40-V72 HydrophobicContact CG-CG1 4.25Å; P40-Y117 HydrophobicContact CB-CD1 4.19Å; P40-Y117 HydrophobicContact CG-CD1 3.64Å; P40-Y117 HydrophobicContact CG-CE1 3.93Å
41S52.7Low52.4Low59 Ų5987.7 Ų87.741%0.41346%0.46SS..  trans-73.375.8174.9179.80000109G39 Q71G39-S41 PolarHBondContact O-N 3.45Å; S41-Q71 PolarHBondContact N-O 3.38Å
42T48.5Very low51.5Low42 Ų4290.6 Ų90.626%0.25848%0.48SS..  trans-84.2138159.763.80000106.9P40 A44 L45P40-T42 PolarHBondContact O-N 3.36Å; T42-A44 PolarHBondContact O-N 3.25Å; T42-L45 PolarHBondContact O-N 3.06Å
43A49.3Very low51.2Low63 Ų6392.5 Ų92.552%0.52149%0.49SS..Hα-helixtrans-48.6-27.1178.700000112.9L45 T68A43-L45 VanDerWaalsContact C-N 3.35Å; A43-L45 PolarHBondContact O-N 2.94Å; A43-T68 HydrophobicContact CB-CG2 4.13Å
44A44.7Very low50.4Low81 Ų8193.7 Ų93.767%0.66950%0.498SS*.Hα-helixtrans-62.7-28175.500000115.3T42T42-A44 PolarHBondContact O-N 3.25Å
45L43.3Very low49.7Very low75 Ų7598.7 Ų98.739%0.39353%0.53SS..Hα-helixtrans-91.2-20-177.3-73.7167.9000113.8P40 T42 A43 N47 R48P40-L45 HydrophobicContact CG-CD1 4.43Å; P40-L45 WeakPolarHBondContact O-CD1 3.19Å; T42-L45 PolarHBondContact O-N 3.06Å; A43-L45 VanDerWaalsContact C-N 3.35Å; A43-L45 PolarHBondContact O-N 2.94Å; L45-N47 PolarHBondContact O-N 3.49Å; L45-R48 PolarHBondContact O-N 3.1Å; L45-R48 VanDerWaalsContact O-N 3.1Å
46R47.3Very low49Very low168 Ų168100.6 Ų100.663%0.63456%0.558SS**Hα-helixtrans-57.2-32172.1-99.1177.575.6-168.33.7112.1R48R46-R48 VanDerWaalsContact C-N 3.31Å; R46-R48 PolarHBondContact O-N 3.43Å
47N43.1Very low47.9Very low107 Ų107101.7 Ų101.757%0.57258%0.575SS**Hα-helixtrans-69.9-23.2179.3-92.52.3000113.9L45 R50 I51L45-N47 PolarHBondContact O-N 3.49Å; N47-R50 PolarHBondContact O-N 3.08Å; N47-I51 WeakPolarHBondContact O-CG1 3.49Å
48R44.7Very low46.6Very low186 Ų186104.6 Ų104.670%0.70261%0.605SS**Hα-helixtrans-78.5-28.1-178.5-158.9176.3-67.3172-0.4112.8L45 R46 R50L45-R48 PolarHBondContact O-N 3.1Å; L45-R48 VanDerWaalsContact O-N 3.1Å; R46-R48 VanDerWaalsContact C-N 3.31Å; R46-R48 PolarHBondContact O-N 3.43Å; R48-R50 VanDerWaalsContact C-N 3.31Å
49R44.8Very low45.9Very low179 Ų179110.2 Ų110.268%0.67563%0.625SS**Hα-helixtrans-76.5-19.6174.5-144.2176.3-170171.13.7112.6T52R49-T52 PolarHBondContact O-OG1 2.96Å
50R41.8Very low44.7Very low163 Ų163117.7 Ų117.762%0.61565%0.645SS**Hα-helixtrans-82.1-22.7177.4-108.6-177.8170.4173.9-4.3114.5N47 R48 T52 E53 S54N47-R50 PolarHBondContact O-N 3.08Å; R48-R50 VanDerWaalsContact C-N 3.31Å; R50-T52 VanDerWaalsContact C-N 3.29Å; R50-T52 PolarHBondContact O-N 3.08Å; R50-E53 PolarHBondContact O-N 3.08Å; R50-S54 PolarHBondContact O-OG 2.78Å
51I43.7Very low44.4Very low137 Ų137122.2 Ų122.270%0.70368%0.678SS**THydrogen-bonded Turntrans-72.1-23.9-175.4-67.3166.5000111.8N47N47-I51 WeakPolarHBondContact O-CG1 3.49Å
52T43.8Very low43.6Very low120 Ų120124 Ų12474%0.73669%0.69SS**THydrogen-bonded Turntrans-84.9-5.8177.2520000114.2R49 R50R49-T52 PolarHBondContact O-OG1 2.96Å; R50-T52 VanDerWaalsContact C-N 3.29Å; R50-T52 PolarHBondContact O-N 3.08Å
53E48.5Very low43.3Very low165 Ų165131.1 Ų131.177%0.77172%0.72SS**SBendtrans-123.810.1-173.4-71.1-174.6158.900114.8R50R50-E53 PolarHBondContact O-N 3.08Å
54S41.6Very low43Very low84 Ų84135.6 Ų135.659%0.58773%0.731SS**  trans-121.768.2-170.5-51.30000113.9R50R50-S54 PolarHBondContact O-OG 2.78Å
55T42.8Very low43.2Very low148 Ų148140.4 Ų140.491%0.90874%0.739SS**  trans-109.172.1148.546.20000109.7
56A45Very low43.3Very low98 Ų98145.1 Ų145.181%0.8176%0.759SS**SBendtrans176.6103.2143.800000110.7
57G37.8Very low43.4Very low79 Ų79143.9 Ų143.981%0.81477%0.765SS**  trans82.4131.313700000120.3
58A37.2Very low44Very low104 Ų104142.5 Ų142.586%0.8676%0.76SS**  trans86.5100.7153.100000118.8
59E46.7Very low45.5Very low189 Ų189137.5 Ų137.588%0.88375%0.754SS**  trans-49.4135157.2-55.8176.8152.800112.5
60K35.9Very low47.4Very low201 Ų201129.1 Ų129.187%0.87472%0.723SS**  trans-147.8114.4138.3-74.2-162.3178.9176.90109.6
61S50Low49.7Very low119 Ų119124.9 Ų124.983%0.83271%0.71SS**  trans-61.7125.1159.852.50000109.4
62S34.6Very low51.9Low96 Ų96118.3 Ų118.367%0.67168%0.676SS**  trans-139.5115.6159.4-64.40000107.4E64S62-E64 PolarHBondContact O-N 3.38Å; S62-E64 VanDerWaalsContact O-N 3.12Å
63Q43.7Very low54Low191 Ų191113.1 Ų113.189%0.89364%0.644SS**  trans-58.899.7172.6-169.8175.1-10.200107.9
64E41.3Very low56.1Low158 Ų158105.3 Ų105.374%0.73861%0.607SS**  trans-114.669167-73.8178.3-175.500107.6S62 E66S62-E64 PolarHBondContact O-N 3.38Å; S62-E64 VanDerWaalsContact O-N 3.12Å; E64-E66 PolarHBondContact O-N 3.4Å
65E48.8Very low58.4Low181 Ų181106 Ų10685%0.84661%0.605SS**  trans-78.894.7151.6-78-171.1172.800106.9
66E45.3Very low60.8Low174 Ų17499 Ų9981%0.81356%0.562SS**SBendtrans174.6131.2145.6-104.5178.4149.700109.8E64E64-E66 PolarHBondContact O-N 3.4Å
67N50.1Low63.1Low143 Ų14398.3 Ų98.377%0.76555%0.547SS*.  trans77.953.5177.5-57.1-33.2000117.4S69N67-S69 PolarHBondContact O-N 3.42Å
68T55.8Low65.8Low77 Ų7799.1 Ų99.147%0.47253%0.53SS..  trans-73.584.9155-45.60000108.7A43 F70A43-T68 HydrophobicContact CB-CG2 4.13Å; T68-F70 PolarHBondContact O-N 3.29Å
69S75.8Confident68.5Low82 Ų8295.2 Ų95.257%0.57349%0.493SS*.  trans-68.8113.2173.956.30000109.5N67 Q71N67-S69 PolarHBondContact O-N 3.42Å; S69-Q71 PolarHBondContact O-N 3.44Å
70F86.3Confident70.6Confident2 Ų292.2 Ų92.21%0.00947%0.474CS..  trans-70.2127.2171.2174.1-86000109.5P40 T68 V72 L93 L119 P120 L128 E141 M142P40-F70 HydrophobicContact CB-CE2 3.95Å; T68-F70 PolarHBondContact O-N 3.29Å; F70-V72 HydrophobicContact CE1-CG1 4.2Å; F70-V72 HydrophobicContact CE1-CG2 4.28Å; F70-V72 HydrophobicContact CE2-CG1 4.29Å; F70-V72 HydrophobicContact CZ-CG1 3.74Å; F70-V72 HydrophobicContact CZ-CG2 4.42Å; F70-L93 HydrophobicContact CE1-CD2 3.67Å; F70-L93 HydrophobicContact CZ-CD2 3.73Å; F70-L119 HydrophobicContact CD1-CD2 4.08Å; F70-L119 HydrophobicContact CD2-CD2 4.33Å; F70-L119 HydrophobicContact CE1-CD2 3.81Å; F70-L119 HydrophobicContact CE2-CD2 4.06Å; F70-L119 HydrophobicContact CG-CD2 4.34Å; F70-L119 HydrophobicContact CZ-CD2 3.8Å; F70-P120 HydrophobicContact CB-CG 3.95Å; F70-P120 HydrophobicContact CD2-CG 4.4Å; F70-L128 HydrophobicContact CD1-CD2 4.27Å; F70-E141 VanDerWaalsContact O-CA 3.29Å; F70-E141 WeakPolarHBondContact O-CA 3.44Å; F70-M142 HydrophobicContact CB-CG 3.85Å; F70-M142 HydrophobicContact CB-SD 3.54Å; F70-M142 VanDerWaalsContact CB-SD 3.54Å; F70-M142 PolarHBondContact O-N 2.8Å
71Q88.4Confident73.3Confident74 Ų7485.8 Ų85.835%0.34645%0.453SS..EExtended strand (participates in β ladder)trans-146.8137.4173.3-179.4-178.375.700109.6P40 S41 S69 L73 V139 V140 E141P40-Q71 WeakPolarHBondContact CA-O 2.93Å; S41-Q71 PolarHBondContact N-O 3.38Å; S69-Q71 PolarHBondContact O-N 3.44Å; Q71-L73 HydrophobicContact CG-CD1 3.68Å; Q71-V139 HydrophobicContact CG-CG1 4.19Å; Q71-V140 CarbonylContact C-O 3.58Å; Q71-V140 WeakPolarHBondContact CA-O 3.3Å; Q71-E141 HydrophobicContact CB-CB 4.09Å; Q71-E141 HydrophobicContact CG-CB 4.04Å; Q71-E141 PolarHBondContact NE2-OE2 3.42Å
72V89.7Confident75.4Confident0 Ų086.9 Ų86.90%045%0.445CS..EExtended strand (participates in β ladder)trans-128.8140.5170.6-66.30000110.4P40 F70 L93 I95 Y117 V139 V140P40-V72 HydrophobicContact CB-CG1 3.55Å; P40-V72 HydrophobicContact CG-CG1 4.25Å; F70-V72 HydrophobicContact CE1-CG1 4.2Å; F70-V72 HydrophobicContact CE1-CG2 4.28Å; F70-V72 HydrophobicContact CE2-CG1 4.29Å; F70-V72 HydrophobicContact CZ-CG1 3.74Å; F70-V72 HydrophobicContact CZ-CG2 4.42Å; V72-L93 HydrophobicContact CG2-CD2 4.05Å; V72-I95 HydrophobicContact CG2-CD1 4.4Å; V72-Y117 HydrophobicContact CB-CE2 4.32Å; V72-Y117 HydrophobicContact CG1-CD1 4.05Å; V72-Y117 HydrophobicContact CG1-CD2 4.1Å; V72-Y117 HydrophobicContact CG1-CE1 4.11Å; V72-Y117 HydrophobicContact CG1-CE2 4.18Å; V72-Y117 HydrophobicContact CG1-CG 4Å; V72-Y117 HydrophobicContact CG2-CD2 4.33Å; V72-Y117 HydrophobicContact CG2-CE2 4.28Å; V72-V139 WeakPolarHBondContact O-CA 3.38Å; V72-V140 HydrophobicContact CG2-CB 3.69Å; V72-V140 HydrophobicContact CG2-CG2 4.35Å; V72-V140 PolarHBondContact N-O 2.84Å; V72-V140 PolarHBondContact O-N 3.35Å
73L89.7Confident78.2Confident10 Ų1083.2 Ų83.25%0.05242%0.418CS..EExtended strand (participates in β ladder)trans-115.3133.4172.4-79.668.5000109.4L37 P38 Q71 I137 L138 V139L37-L73 HydrophobicContact CB-CB 4.08Å; L37-L73 HydrophobicContact CD1-CB 4.29Å; L37-L73 HydrophobicContact CD2-CB 4.38Å; L37-L73 HydrophobicContact CG-CB 4.5Å; P38-L73 HydrophobicContact CG-CB 4.38Å; P38-L73 HydrophobicContact CG-CD1 4.14Å; P38-L73 HydrophobicContact CG-CD2 4Å; P38-L73 HydrophobicContact CG-CG 4.39Å; Q71-L73 HydrophobicContact CG-CD1 3.68Å; L73-I137 HydrophobicContact CB-CG2 4.22Å; L73-I137 HydrophobicContact CD2-CG2 4.29Å; L73-I137 HydrophobicContact CG-CG2 4.25Å; L73-L138 CarbonylContact C-O 3.58Å; L73-L138 WeakPolarHBondContact CA-O 3.25Å; L73-V139 HydrophobicContact CD1-CG1 4.21Å; L73-V139 HydrophobicContact CG-CG2 4.26Å
74L91.3Very high80.6Confident2 Ų275.3 Ų75.31%0.0138%0.381CS..EExtended strand (participates in β ladder)trans-128.9132179.6-67.1-177.3000111.3L37 V76 I95 F113 Y117 I137 L138L37-L74 VanDerWaalsContact CD1-C 3.43Å; L74-V76 HydrophobicContact CB-CG1 4.05Å; L74-V76 PolarHBondContact O-N 3.32Å; L74-I95 HydrophobicContact CD1-CB 4.17Å; L74-I95 HydrophobicContact CD1-CD1 3.52Å; L74-I95 HydrophobicContact CD1-CG1 4.43Å; L74-I95 HydrophobicContact CD1-CG2 3.83Å; L74-F113 HydrophobicContact CD1-CE2 4.25Å; L74-F113 HydrophobicContact CD1-CZ 4.36Å; L74-Y117 HydrophobicContact CD1-CE2 4.47Å; L74-Y117 HydrophobicContact CD2-CE2 4.41Å; L74-Y117 VanDerWaalsContact CD2-OH 3.23Å; L74-Y117 WeakPolarHBondContact CD2-OH 3.34Å; L74-I137 CarbonylContact O-C 3.54Å; L74-I137 WeakPolarHBondContact O-CA 3.43Å; L74-L138 HydrophobicContact CB-CB 4.29Å; L74-L138 HydrophobicContact CD1-CD2 4.39Å; L74-L138 PolarHBondContact N-O 3.46Å; L74-L138 PolarHBondContact O-N 2.96Å
75D91.2Very high83.2Confident99 Ų9972 Ų7253%0.52937%0.368SS..EExtended strand (participates in β ladder)trans-74.5116.2165.5-175.8-14000108L37 V77 I137L37-D75 HydrophobicContact CD1-CB 3.98Å; D75-V77 WeakPolarHBondContact OD1-CB 3.43Å; D75-V77 VanDerWaalsContact OD1-CG1 3.25Å; D75-V77 WeakPolarHBondContact OD1-CG1 3.14Å; D75-V77 PolarHBondContact OD1-N 2.8Å; D75-I137 HydrophobicContact CB-CD1 4.32Å
76V93Very high85.4Confident1 Ų165.8 Ų65.81%0.00634%0.34CS..  trans-12823.5178.4-61.90000110.8L74 Q78 F79 I84 F113 F132 G136 L138L74-V76 HydrophobicContact CB-CG1 4.05Å; L74-V76 PolarHBondContact O-N 3.32Å; V76-Q78 PolarHBondContact O-N 2.85Å; V76-F79 HydrophobicContact CB-CD2 4.45Å; V76-F79 PolarHBondContact O-N 3.37Å; V76-F79 VanDerWaalsContact O-O 3.11Å; V76-I84 HydrophobicContact CB-CD1 3.89Å; V76-I84 HydrophobicContact CG1-CD1 4.11Å; V76-I84 HydrophobicContact CG2-CD1 3.92Å; V76-F113 HydrophobicContact CG1-CE1 3.99Å; V76-F113 HydrophobicContact CG1-CZ 3.84Å; V76-F132 HydrophobicContact CB-CE2 4.42Å; V76-F132 HydrophobicContact CG2-CD2 3.94Å; V76-F132 HydrophobicContact CG2-CE2 3.36Å; V76-F132 HydrophobicContact CG2-CZ 4.07Å; V76-G136 CarbonylContact C-O 3.56Å; V76-G136 WeakPolarHBondContact CG2-O 3.22Å; V76-G136 PolarHBondContact N-O 2.79Å; V76-L138 HydrophobicContact CG1-CB 4.05Å; V76-L138 HydrophobicContact CG1-CD2 4.47Å; V76-L138 HydrophobicContact CG2-CB 3.71Å
77V93.3Very high87.6Confident83 Ų8361.9 Ų61.950%0.50332%0.321SS..THydrogen-bonded Turntrans-55.7-27.4-17673.50000113.3D75 F79 G136D75-V77 WeakPolarHBondContact OD1-CB 3.43Å; D75-V77 VanDerWaalsContact OD1-CG1 3.25Å; D75-V77 WeakPolarHBondContact OD1-CG1 3.14Å; D75-V77 PolarHBondContact OD1-N 2.8Å; V77-F79 VanDerWaalsContact C-N 3.3Å; V77-F79 PolarHBondContact O-N 3.42Å; V77-G136 PolarHBondContact N-O 2.76Å
78Q93.2Very high89.6Confident96 Ų9657.1 Ų57.145%0.44930%0.298SS..THydrogen-bonded Turntrans-84.72.1179-60.1-64.3-34.100113.9V76 R111V76-Q78 PolarHBondContact O-N 2.85Å; Q78-R111 VanDerWaalsContact OE1-CZ 3.26Å
79F93.6Very high91.1Very high21 Ų2159.8 Ų59.89%0.09230%0.303CS..SBendtrans-126.8143.6-176.3-60.5-87.8000110.5V76 V77 D83 I84 A97 H99 R111 F113V76-F79 HydrophobicContact CB-CD2 4.45Å; V76-F79 PolarHBondContact O-N 3.37Å; V76-F79 VanDerWaalsContact O-O 3.11Å; V77-F79 VanDerWaalsContact C-N 3.3Å; V77-F79 PolarHBondContact O-N 3.42Å; F79-D83 HydrophobicContact CB-CB 4.35Å; F79-D83 HydrophobicContact CD1-CB 4.36Å; F79-I84 HydrophobicContact CB-CD1 4.23Å; F79-I84 HydrophobicContact CB-CG1 4.16Å; F79-A97 HydrophobicContact CB-CB 4.28Å; F79-A97 HydrophobicContact CD1-CB 3.5Å; F79-A97 VanDerWaalsContact CD1-CB 3.5Å; F79-A97 HydrophobicContact CD2-CB 4.03Å; F79-A97 HydrophobicContact CE1-CB 3.72Å; F79-A97 HydrophobicContact CE2-CB 4.24Å; F79-A97 HydrophobicContact CG-CB 3.66Å; F79-A97 HydrophobicContact CZ-CB 4.09Å; F79-H99 AromaticContact CD1-CD2 3.84Å; F79-H99 AromaticContact CE1-CD2 3.9Å; F79-R111 HydrophobicContact CE1-CB 3.9Å; F79-R111 HydrophobicContact CZ-CB 3.66Å; F79-F113 HydrophobicContact CD2-CD1 4.24Å; F79-F113 AromaticContact CD2-CE1 3.93Å; F79-F113 HydrophobicContact CD2-CE1 3.93Å; F79-F113 AromaticContact CE2-CD1 3.51Å; F79-F113 HydrophobicContact CE2-CD1 3.51Å; F79-F113 AromaticContact CE2-CE1 3.67Å; F79-F113 HydrophobicContact CE2-CE1 3.67Å; F79-F113 AromaticContact CZ-CD1 3.67Å; F79-F113 HydrophobicContact CZ-CD1 3.67Å; F79-F113 HydrophobicContact CZ-CE1 4.17Å
80R91.5Very high91.8Very high126 Ų12663.1 Ų63.148%0.47531%0.309SS..  trans-83.7158.5170-56.2175.4-59.4167.710.5109.7E82 D83R80-E82 VanDerWaalsContact CB-OE2 3.27Å; R80-E82 WeakPolarHBondContact CB-OE2 3.35Å; R80-E82 PolarHBondContact O-N 2.92Å; R80-E82 VanDerWaalsContact O-N 3.14Å; R80-D83 WeakPolarHBondContact CB-OD2 3.17Å; R80-D83 IonicContact CZ-OD1 2.76Å; R80-D83 PolarHBondContact N-OD2 2.85Å; R80-D83 IonicContact NE-OD1 3.66Å; R80-D83 PolarHBondContact NE-OD1 2.95Å; R80-D83 IonicContact NE-OD2 2.96Å; R80-D83 PolarHBondContact NE-OD2 3.09Å; R80-D83 IonicContact NH2-OD1 2.77Å; R80-D83 PolarHBondContact NH2-OD1 3.16Å; R80-D83 WeakPolarHBondContact O-CB 3.42Å; R80-D83 PolarHBondContact O-N 2.8Å
81P91.9Very high91.9Very high67 Ų6764.4 Ų64.444%0.43532%0.324SS..G310 helixtrans-51.8-37.6175.5-28.236.5000113.5D83 I84 F132P81-D83 PolarHBondContact O-N 2.91Å; P81-I84 PolarHBondContact O-N 3.04Å; P81-F132 HydrophobicContact CG-CD1 4.1Å; P81-F132 HydrophobicContact CG-CD2 4.19Å; P81-F132 HydrophobicContact CG-CE1 4.18Å; P81-F132 HydrophobicContact CG-CE2 4.24Å; P81-F132 HydrophobicContact CG-CG 4.11Å; P81-F132 HydrophobicContact CG-CZ 4.25Å
82E94.2Very high92.1Very high142 Ų14265.8 Ų65.866%0.66433%0.326SS*.G310 helixtrans-72.9-16.7-179.4-51.974.2-154.400113.3R80 I84R80-E82 VanDerWaalsContact CB-OE2 3.27Å; R80-E82 WeakPolarHBondContact CB-OE2 3.35Å; R80-E82 PolarHBondContact O-N 2.92Å; R80-E82 VanDerWaalsContact O-N 3.14Å; E82-I84 VanDerWaalsContact C-N 3.25Å
83D94.2Very high92.3Very high19 Ų1965.8 Ų65.810%0.10233%0.326CS..G310 helixtrans-83-6.5177.3-56-31.3000111.5F79 R80 P81 A97 Q98 R102F79-D83 HydrophobicContact CB-CB 4.35Å; F79-D83 HydrophobicContact CD1-CB 4.36Å; R80-D83 WeakPolarHBondContact CB-OD2 3.17Å; R80-D83 IonicContact CZ-OD1 2.76Å; R80-D83 PolarHBondContact N-OD2 2.85Å; R80-D83 IonicContact NE-OD1 3.66Å; R80-D83 PolarHBondContact NE-OD1 2.95Å; R80-D83 IonicContact NE-OD2 2.96Å; R80-D83 PolarHBondContact NE-OD2 3.09Å; R80-D83 IonicContact NH2-OD1 2.77Å; R80-D83 PolarHBondContact NH2-OD1 3.16Å; R80-D83 WeakPolarHBondContact O-CB 3.42Å; R80-D83 PolarHBondContact O-N 2.8Å; P81-D83 PolarHBondContact O-N 2.91Å; D83-A97 CarbonylContact O-C 3.52Å; D83-A97 VanDerWaalsContact O-CA 3.29Å; D83-A97 WeakPolarHBondContact O-CA 3.49Å; D83-Q98 WeakPolarHBondContact CB-O 3.37Å; D83-Q98 PolarHBondContact O-N 3.25Å; D83-R102 IonicContact OD1-CZ 2.61Å; D83-R102 IonicContact OD1-NH2 3.23Å; D83-R102 PolarHBondContact OD1-NH2 2.85Å; D83-R102 IonicContact OD2-CZ 2.7Å; D83-R102 VanDerWaalsContact OD2-CZ 3.23Å; D83-R102 IonicContact OD2-NH1 3.88Å; D83-R102 PolarHBondContact OD2-NH1 2.85Å; D83-R102 IonicContact OD2-NH2 2.79Å; D83-R102 PolarHBondContact OD2-NH2 2.84Å
84I94.9Very high92.6Very high25 Ų2566.6 Ų66.613%0.12833%0.33CS..EExtended strand (participates in β ladder)trans-110132.7-171.5-57.8171000110.9V76 F79 P81 E82 I86 I95 K96 A97 F132 L138V76-I84 HydrophobicContact CB-CD1 3.89Å; V76-I84 HydrophobicContact CG1-CD1 4.11Å; V76-I84 HydrophobicContact CG2-CD1 3.92Å; F79-I84 HydrophobicContact CB-CD1 4.23Å; F79-I84 HydrophobicContact CB-CG1 4.16Å; P81-I84 PolarHBondContact O-N 3.04Å; E82-I84 VanDerWaalsContact C-N 3.25Å; I84-I86 HydrophobicContact CG2-CG1 4.19Å; I84-I95 HydrophobicContact CG2-CG2 4.27Å; I84-K96 CarbonylContact C-O 3.56Å; I84-K96 WeakPolarHBondContact CA-O 3.36Å; I84-A97 HydrophobicContact CG1-CB 3.82Å; I84-F132 HydrophobicContact CD1-CD2 4.06Å; I84-F132 HydrophobicContact CD1-CE2 3.76Å; I84-L138 HydrophobicContact CG2-CD2 4.13Å
85I95.4Very high92.8Very high88 Ų8866.5 Ų66.545%0.45133%0.33SS..EExtended strand (participates in β ladder)trans-122.4126.5175.6-63.2172000108.8Q87 I95 K96I85-Q87 HydrophobicContact CG2-CG 3.78Å; I85-I95 WeakPolarHBondContact O-CA 3.39Å; I85-K96 HydrophobicContact CB-CB 4.45Å; I85-K96 PolarHBondContact N-O 2.7Å; I85-K96 PolarHBondContact O-N 3.48Å
86I94.5Very high93.1Very high51 Ų5166 Ų6626%0.26232%0.322SS..EExtended strand (participates in β ladder)trans-115.1122.9176.6-54.3175.9000108.3I84 L93 I95 A130 L138 V140I84-I86 HydrophobicContact CG2-CG1 4.19Å; I86-L93 HydrophobicContact CG2-CD1 3.58Å; I86-I95 HydrophobicContact CG1-CG1 4.39Å; I86-I95 HydrophobicContact CG2-CG1 4.3Å; I86-A130 HydrophobicContact CD1-CB 3.54Å; I86-L138 HydrophobicContact CD1-CD1 4.13Å; I86-L138 HydrophobicContact CD1-CD2 4.07Å; I86-V140 HydrophobicContact CD1-CG2 4Å
87Q92.4Very high93.2Very high91 Ų9165.9 Ų65.943%0.42532%0.322SS..EExtended strand (participates in β ladder)trans-135.9153.9-176.8-72.3174.2-20.500110.1I85 L94I85-Q87 HydrophobicContact CG2-CG 3.78Å; Q87-L94 HydrophobicContact CB-CB 4.38Å; Q87-L94 PolarHBondContact N-O 2.81Å; Q87-L94 PolarHBondContact O-N 3.44Å
88T90.7Very high93.4Very high44 Ų4468.2 Ų68.227%0.2733%0.328SS..EExtended strand (participates in β ladder)trans-118.5134.7167.959.80000109.3W92 L93 L119 N125 L128T88-W92 CarbonylContact C-O 3.5Å; T88-W92 WeakPolarHBondContact CA-O 3.48Å; T88-L93 HydrophobicContact CG2-CD1 4.31Å; T88-L119 HydrophobicContact CG2-CD1 3.79Å; T88-N125 HydrophobicContact CG2-CB 4.12Å; T88-N125 WeakPolarHBondContact OG1-CB 3.27Å; T88-N125 PolarHBondContact OG1-N 3.36Å; T88-L128 HydrophobicContact CG2-CD1 3.76Å
89F88.2Confident93.5Very high132 Ų13264.1 Ų64.158%0.57931%0.308SS*.EExtended strand (participates in β ladder)trans-145.8128.1179.1-177.1-102000109.4G91 W92F89-G91 VanDerWaalsContact C-N 3.28Å; F89-G91 PolarHBondContact O-N 3.39Å; F89-G91 VanDerWaalsContact O-N 3.13Å; F89-W92 PolarHBondContact N-O 3.05Å; F89-W92 WeakPolarHBondContact O-CB 3.28Å; F89-W92 PolarHBondContact O-N 3.22Å
90E90.1Very high93.5Very high152 Ų15265 Ų6571%0.7132%0.324SS*.THydrogen-bonded Turntrans48.542.3175.5-64.9-177.6171.200114.9W92E90-W92 VanDerWaalsContact C-N 3.32Å; E90-W92 VanDerWaalsContact O-CD1 3.26Å; E90-W92 PolarHBondContact O-N 3.29Å
91G88.8Confident93.6Very high30 Ų3063.7 Ų63.731%0.30933%0.332SS..THydrogen-bonded Turntrans71.526-179.100000114F89 K118 L119F89-G91 VanDerWaalsContact C-N 3.28Å; F89-G91 PolarHBondContact O-N 3.39Å; F89-G91 VanDerWaalsContact O-N 3.13Å; G91-K118 PolarHBondContact O-NZ 3.3Å; G91-L119 PolarHBondContact O-N 3.01Å
92W92.9Very high93.7Very high103 Ų10364 Ų6439%0.3932%0.324SS..EExtended strand (participates in β ladder)trans-122.3141.3170-64.288.7000110.4T88 F89 E90 Q116 Y117 K118T88-W92 CarbonylContact C-O 3.5Å; T88-W92 WeakPolarHBondContact CA-O 3.48Å; F89-W92 PolarHBondContact N-O 3.05Å; F89-W92 WeakPolarHBondContact O-CB 3.28Å; F89-W92 PolarHBondContact O-N 3.22Å; E90-W92 VanDerWaalsContact C-N 3.32Å; E90-W92 VanDerWaalsContact O-CD1 3.26Å; E90-W92 PolarHBondContact O-N 3.29Å; W92-Q116 HydrophobicContact CE3-CB 4.37Å; W92-Y117 CarbonylContact C-O 3.54Å; W92-Y117 WeakPolarHBondContact CA-O 3.35Å; W92-Y117 VanDerWaalsContact CE3-C 3.45Å; W92-K118 HydrophobicContact CD2-CD 3.89Å; W92-K118 HydrophobicContact CE3-CB 4.03Å; W92-K118 HydrophobicContact CE3-CD 4.18Å; W92-K118 HydrophobicContact CH2-CB 4.04Å; W92-K118 HydrophobicContact CH2-CD 3.93Å; W92-K118 HydrophobicContact CZ2-CD 3.63Å; W92-K118 HydrophobicContact CZ3-CB 3.74Å; W92-K118 HydrophobicContact CZ3-CD 4.2Å
93L93.9Very high93.6Very high0 Ų064.5 Ų64.50%033%0.328CS..EExtended strand (participates in β ladder)trans-90.5123.9165.3170.466.8000108.4F70 V72 I86 T88 I95 Q116 Y117 L119 L128 V140F70-L93 HydrophobicContact CE1-CD2 3.67Å; F70-L93 HydrophobicContact CZ-CD2 3.73Å; V72-L93 HydrophobicContact CG2-CD2 4.05Å; I86-L93 HydrophobicContact CG2-CD1 3.58Å; T88-L93 HydrophobicContact CG2-CD1 4.31Å; L93-I95 HydrophobicContact CD1-CG1 4.27Å; L93-I95 HydrophobicContact CD2-CD1 4.08Å; L93-I95 HydrophobicContact CD2-CG1 4.47Å; L93-I95 HydrophobicContact CG-CD1 4.28Å; L93-I95 HydrophobicContact CG-CG1 4.13Å; L93-Q116 CarbonylContact O-C 3.49Å; L93-Q116 VanDerWaalsContact O-CA 3.28Å; L93-Q116 WeakPolarHBondContact O-CA 3.4Å; L93-Y117 HydrophobicContact CD2-CD2 4.2Å; L93-Y117 PolarHBondContact N-O 3.13Å; L93-Y117 PolarHBondContact O-N 3.48Å; L93-L119 HydrophobicContact CB-CD1 4.09Å; L93-L119 HydrophobicContact CB-CD2 3.87Å; L93-L119 HydrophobicContact CB-CG 3.88Å; L93-L128 HydrophobicContact CD1-CD1 4.02Å; L93-V140 HydrophobicContact CD1-CG1 4.35Å; L93-V140 HydrophobicContact CD2-CB 4.26Å; L93-V140 HydrophobicContact CD2-CG1 3.8Å
94L95.3Very high93.2Very high27 Ų2766.2 Ų66.214%0.14134%0.337CS..EExtended strand (participates in β ladder)trans-112.8119.4179.1-179.966.9000108.8Q87 K96 T114 Q116Q87-L94 HydrophobicContact CB-CB 4.38Å; Q87-L94 PolarHBondContact N-O 2.81Å; Q87-L94 PolarHBondContact O-N 3.44Å; L94-K96 HydrophobicContact CD1-CG 4.45Å; L94-K96 HydrophobicContact CD2-CD 4.49Å; L94-K96 HydrophobicContact CG-CG 4.27Å; L94-T114 HydrophobicContact CD1-CG2 3.47Å; L94-T114 VanDerWaalsContact CD1-CG2 3.47Å; L94-Q116 HydrophobicContact CD1-CG 3.46Å; L94-Q116 VanDerWaalsContact CD1-CG 3.46Å
95I96.1Very high92.9Very high0 Ų073.7 Ų73.70%037%0.372CS..EExtended strand (participates in β ladder)trans-117.2118.4175.7-58.8173.1000107.7V72 L74 I84 I85 I86 L93 F113 T114 R115 Y117 L138 V140V72-I95 HydrophobicContact CG2-CD1 4.4Å; L74-I95 HydrophobicContact CD1-CB 4.17Å; L74-I95 HydrophobicContact CD1-CD1 3.52Å; L74-I95 HydrophobicContact CD1-CG1 4.43Å; L74-I95 HydrophobicContact CD1-CG2 3.83Å; I84-I95 HydrophobicContact CG2-CG2 4.27Å; I85-I95 WeakPolarHBondContact O-CA 3.39Å; I86-I95 HydrophobicContact CG1-CG1 4.39Å; I86-I95 HydrophobicContact CG2-CG1 4.3Å; L93-I95 HydrophobicContact CD1-CG1 4.27Å; L93-I95 HydrophobicContact CD2-CD1 4.08Å; L93-I95 HydrophobicContact CD2-CG1 4.47Å; L93-I95 HydrophobicContact CG-CD1 4.28Å; L93-I95 HydrophobicContact CG-CG1 4.13Å; I95-F113 HydrophobicContact CG2-CE2 4.08Å; I95-F113 HydrophobicContact CG2-CZ 4.27Å; I95-T114 CarbonylContact O-C 3.57Å; I95-T114 WeakPolarHBondContact O-CA 3.26Å; I95-R115 PolarHBondContact N-O 3.23Å; I95-R115 PolarHBondContact O-N 3.22Å; I95-Y117 HydrophobicContact CD1-CD2 4.44Å; I95-Y117 HydrophobicContact CD1-CE2 4.3Å; I95-L138 HydrophobicContact CD1-CD2 4.47Å; I95-L138 HydrophobicContact CG2-CD2 4.05Å; I95-V140 HydrophobicContact CD1-CG2 3.86Å
96K96.4Very high92.6Very high87 Ų8777.8 Ų77.838%0.37839%0.389SS..EExtended strand (participates in β ladder)trans-114.2136.2175.5-63.8-179.9173.41660108.5I84 I85 L94 F113 T114I84-K96 CarbonylContact C-O 3.56Å; I84-K96 WeakPolarHBondContact CA-O 3.36Å; I85-K96 HydrophobicContact CB-CB 4.45Å; I85-K96 PolarHBondContact N-O 2.7Å; I85-K96 PolarHBondContact O-N 3.48Å; L94-K96 HydrophobicContact CD1-CG 4.45Å; L94-K96 HydrophobicContact CD2-CD 4.49Å; L94-K96 HydrophobicContact CG-CG 4.27Å; K96-F113 WeakPolarHBondContact CA-O 3.36Å; K96-T114 HydrophobicContact CG-CG2 3.96Å
97A96.7Very high92.5Very high0 Ų076.8 Ų76.80%039%0.391CS..EExtended strand (participates in β ladder)trans-130.9132.4166.300000108.8F79 D83 I84 S112 F113F79-A97 HydrophobicContact CB-CB 4.28Å; F79-A97 HydrophobicContact CD1-CB 3.5Å; F79-A97 VanDerWaalsContact CD1-CB 3.5Å; F79-A97 HydrophobicContact CD2-CB 4.03Å; F79-A97 HydrophobicContact CE1-CB 3.72Å; F79-A97 HydrophobicContact CE2-CB 4.24Å; F79-A97 HydrophobicContact CG-CB 3.66Å; F79-A97 HydrophobicContact CZ-CB 4.09Å; D83-A97 CarbonylContact O-C 3.52Å; D83-A97 VanDerWaalsContact O-CA 3.29Å; D83-A97 WeakPolarHBondContact O-CA 3.49Å; I84-A97 HydrophobicContact CG1-CB 3.82Å; A97-S112 CarbonylContact O-C 3.44Å; A97-S112 VanDerWaalsContact O-CA 3.22Å; A97-S112 WeakPolarHBondContact O-CA 3.36Å; A97-F113 HydrophobicContact CB-CD1 3.62Å; A97-F113 HydrophobicContact CB-CE1 3.2Å; A97-F113 HydrophobicContact CB-CE2 4.48Å; A97-F113 HydrophobicContact CB-CG 4.43Å; A97-F113 HydrophobicContact CB-CZ 3.68Å; A97-F113 PolarHBondContact N-O 2.88Å; A97-F113 PolarHBondContact O-N 2.9Å
98Q96.4Very high92.4Very high132 Ų13280.1 Ų80.162%0.61740%0.404SS*.EExtended strand (participates in β ladder)trans-150.3131.5-179.3179.9173.9-1.200110.9D83 R111D83-Q98 WeakPolarHBondContact CB-O 3.37Å; D83-Q98 PolarHBondContact O-N 3.25Å; Q98-R111 WeakPolarHBondContact CA-O 3.28Å
99H95.3Very high92.5Very high9 Ų980.2 Ų80.24%0.04240%0.403CS..EExtended strand (participates in β ladder)trans-128.7143.3163.47381.5000111.1F79 R102 I109 R111F79-H99 AromaticContact CD1-CD2 3.84Å; F79-H99 AromaticContact CE1-CD2 3.9Å; H99-R102 VanDerWaalsContact CB-CZ 3.41Å; H99-R102 VanDerWaalsContact CB-NH2 3.28Å; H99-I109 PolarHBondContact CE1-O 2.76Å; H99-R111 PolarHBondContact N-O 2.84Å; H99-R111 WeakPolarHBondContact NE2-CB 3.39Å; H99-R111 PolarHBondContact O-N 3.28Å
100G93.3Very high92.8Very high41 Ų4177.2 Ų77.242%0.42340%0.398SS..EExtended strand (participates in β ladder)trans-72-171.3171.500000112.7R102 S110G100-R102 PolarHBondContact O-N 3.12Å; G100-S110 VanDerWaalsContact C-OG 3.3Å
101P94.9Very high93Very high98 Ų9873.5 Ų73.564%0.63638%0.378SS*.EExtended strand (participates in β ladder)trans-57122.9-177.4-25.633.9000112.3F108 I109 S110P101-F108 HydrophobicContact CB-CD1 4.31Å; P101-I109 CarbonylContact C-O 3.52Å; P101-I109 WeakPolarHBondContact CA-O 3.4Å; P101-S110 VanDerWaalsContact CA-OG 3.25Å; P101-S110 WeakPolarHBondContact CA-OG 3.47Å; P101-S110 WeakPolarHBondContact CD-OG 3.19Å; P101-S110 WeakPolarHBondContact CG-OG 3.23Å
102R92.7Very high93.3Very high72 Ų7275.8 Ų75.827%0.27239%0.388SS..EExtended strand (participates in β ladder)trans-125.2146.6171.5-68.9-177.9-178.7153.511.3109.1D83 H99 G100 F108 I109D83-R102 IonicContact OD1-CZ 2.61Å; D83-R102 IonicContact OD1-NH2 3.23Å; D83-R102 PolarHBondContact OD1-NH2 2.85Å; D83-R102 IonicContact OD2-CZ 2.7Å; D83-R102 VanDerWaalsContact OD2-CZ 3.23Å; D83-R102 IonicContact OD2-NH1 3.88Å; D83-R102 PolarHBondContact OD2-NH1 2.85Å; D83-R102 IonicContact OD2-NH2 2.79Å; D83-R102 PolarHBondContact OD2-NH2 2.84Å; H99-R102 VanDerWaalsContact CB-CZ 3.41Å; H99-R102 VanDerWaalsContact CB-NH2 3.28Å; G100-R102 PolarHBondContact O-N 3.12Å; R102-F108 CarbonylContact O-C 3.53Å; R102-F108 VanDerWaalsContact O-CA 3.3Å; R102-F108 WeakPolarHBondContact O-CA 3.25Å; R102-I109 PolarHBondContact N-O 3.41Å; R102-I109 PolarHBondContact O-N 2.86Å
103M92.9Very high93.5Very high153 Ų15373 Ų7375%0.75438%0.379SS*.EExtended strand (participates in β ladder)trans-78.1129.9174.7-158.41757600109.5G107 F108M103-G107 CarbonylContact C-O 3.52Å; M103-G107 VanDerWaalsContact CA-O 3.26Å; M103-G107 WeakPolarHBondContact CA-O 3.39Å; M103-F108 HydrophobicContact CB-CD1 4.47Å; M103-F108 HydrophobicContact CB-CE1 4.24Å
104D86.3Confident93.5Very high56 Ų5676.5 Ų76.530%0.29940%0.401SS..EExtended strand (participates in β ladder)trans-123-171.9168.771.712.4000110.4H106 G107 I109D104-H106 PolarHBondContact O-N 2.8Å; D104-H106 VanDerWaalsContact O-N 3.11Å; D104-H106 WeakPolarHBondContact OD1-CA 3.19Å; D104-H106 PolarHBondContact OD1-N 3.34Å; D104-G107 PolarHBondContact N-O 3.26Å; D104-G107 PolarHBondContact O-N 3.35Å; D104-G107 PolarHBondContact OD1-N 2.96Å; D104-I109 HydrophobicContact CB-CG2 4.14Å; D104-I109 VanDerWaalsContact OD2-CG2 3.25Å; D104-I109 WeakPolarHBondContact OD2-CG2 3.24Å
105E88.1Confident93.5Very high182 Ų18281.3 Ų81.385%0.8542%0.417SS*.THydrogen-bonded Turntrans-60.7-18.3-179.2-61.3-176.3170.300113.8
106H89.1Confident93.4Very high173 Ų17387.2 Ų87.280%0.80145%0.445SS*.THydrogen-bonded Turntrans-117.10.1-172.6-57.3-55.8000113.8D104D104-H106 PolarHBondContact O-N 2.8Å; D104-H106 VanDerWaalsContact O-N 3.11Å; D104-H106 WeakPolarHBondContact OD1-CA 3.19Å; D104-H106 PolarHBondContact OD1-N 3.34Å
107G91.1Very high93.2Very high30 Ų3084.3 Ų84.331%0.30943%0.432SS..EExtended strand (participates in β ladder)trans133.3-140.6176.800000112.1M103 D104M103-G107 CarbonylContact C-O 3.52Å; M103-G107 VanDerWaalsContact CA-O 3.26Å; M103-G107 WeakPolarHBondContact CA-O 3.39Å; D104-G107 PolarHBondContact N-O 3.26Å; D104-G107 PolarHBondContact O-N 3.35Å; D104-G107 PolarHBondContact OD1-N 2.96Å
108F92Very high92.9Very high161 Ų16189 Ų8971%0.70645%0.452SS*.EExtended strand (participates in β ladder)trans-97.5129.7177.2-71.9-83.7000111.2P101 R102 M103P101-F108 HydrophobicContact CB-CD1 4.31Å; R102-F108 CarbonylContact O-C 3.53Å; R102-F108 VanDerWaalsContact O-CA 3.3Å; R102-F108 WeakPolarHBondContact O-CA 3.25Å; M103-F108 HydrophobicContact CB-CD1 4.47Å; M103-F108 HydrophobicContact CB-CE1 4.24Å
109I91.7Very high92.6Very high47 Ų4782.9 Ų82.924%0.24142%0.424CS..EExtended strand (participates in β ladder)trans-125.5139178.3-168.9139.5000112H99 P101 R102 D104 R111H99-I109 PolarHBondContact CE1-O 2.76Å; P101-I109 CarbonylContact C-O 3.52Å; P101-I109 WeakPolarHBondContact CA-O 3.4Å; R102-I109 PolarHBondContact N-O 3.41Å; R102-I109 PolarHBondContact O-N 2.86Å; D104-I109 HydrophobicContact CB-CG2 4.14Å; D104-I109 VanDerWaalsContact OD2-CG2 3.25Å; D104-I109 WeakPolarHBondContact OD2-CG2 3.24Å; I109-R111 HydrophobicContact CG1-CG 4.08Å
110S94Very high92.3Very high68 Ų6884.6 Ų84.648%0.47644%0.435SS..EExtended strand (participates in β ladder)trans-124.7138.4168.9-560000108.2G100 P101G100-S110 VanDerWaalsContact C-OG 3.3Å; P101-S110 VanDerWaalsContact CA-OG 3.25Å; P101-S110 WeakPolarHBondContact CA-OG 3.47Å; P101-S110 WeakPolarHBondContact CD-OG 3.19Å; P101-S110 WeakPolarHBondContact CG-OG 3.23Å
111R94.4Very high92Very high75 Ų7590.2 Ų90.228%0.28346%0.456SS..EExtended strand (participates in β ladder)trans-131.8144.9177.6-59.5-178177.491.1-6109.8Q78 F79 Q98 H99 I109Q78-R111 VanDerWaalsContact OE1-CZ 3.26Å; F79-R111 HydrophobicContact CE1-CB 3.9Å; F79-R111 HydrophobicContact CZ-CB 3.66Å; Q98-R111 WeakPolarHBondContact CA-O 3.28Å; H99-R111 PolarHBondContact N-O 2.84Å; H99-R111 WeakPolarHBondContact NE2-CB 3.39Å; H99-R111 PolarHBondContact O-N 3.28Å; I109-R111 HydrophobicContact CG1-CG 4.08Å
112S95.8Very high91.4Very high77 Ų7789.1 Ų89.154%0.53846%0.462SS..EExtended strand (participates in β ladder)trans-147.9137173.9-177.10000110A97A97-S112 CarbonylContact O-C 3.44Å; A97-S112 VanDerWaalsContact O-CA 3.22Å; A97-S112 WeakPolarHBondContact O-CA 3.36Å
113F96.2Very high91Very high44 Ų4486.5 Ų86.519%0.19345%0.454CS..EExtended strand (participates in β ladder)trans-137.8156.1166.180.7-99.7000111.4L74 V76 F79 I95 K96 A97 R115L74-F113 HydrophobicContact CD1-CE2 4.25Å; L74-F113 HydrophobicContact CD1-CZ 4.36Å; V76-F113 HydrophobicContact CG1-CE1 3.99Å; V76-F113 HydrophobicContact CG1-CZ 3.84Å; F79-F113 HydrophobicContact CD2-CD1 4.24Å; F79-F113 AromaticContact CD2-CE1 3.93Å; F79-F113 HydrophobicContact CD2-CE1 3.93Å; F79-F113 AromaticContact CE2-CD1 3.51Å; F79-F113 HydrophobicContact CE2-CD1 3.51Å; F79-F113 AromaticContact CE2-CE1 3.67Å; F79-F113 HydrophobicContact CE2-CE1 3.67Å; F79-F113 AromaticContact CZ-CD1 3.67Å; F79-F113 HydrophobicContact CZ-CD1 3.67Å; F79-F113 HydrophobicContact CZ-CE1 4.17Å; I95-F113 HydrophobicContact CG2-CE2 4.08Å; I95-F113 HydrophobicContact CG2-CZ 4.27Å; K96-F113 WeakPolarHBondContact CA-O 3.36Å; A97-F113 HydrophobicContact CB-CD1 3.62Å; A97-F113 HydrophobicContact CB-CE1 3.2Å; A97-F113 HydrophobicContact CB-CE2 4.48Å; A97-F113 HydrophobicContact CB-CG 4.43Å; A97-F113 HydrophobicContact CB-CZ 3.68Å; A97-F113 PolarHBondContact N-O 2.88Å; A97-F113 PolarHBondContact O-N 2.9Å; F113-R115 HydrophobicContact CD2-CG 4.04Å; F113-R115 HydrophobicContact CE2-CG 4.26Å
114T94.3Very high90.6Very high75 Ų7584.1 Ų84.146%0.4644%0.441SS..EExtended strand (participates in β ladder)trans-135.1124.7169.1-63.90000108.5L94 I95 K96L94-T114 HydrophobicContact CD1-CG2 3.47Å; L94-T114 VanDerWaalsContact CD1-CG2 3.47Å; I95-T114 CarbonylContact O-C 3.57Å; I95-T114 WeakPolarHBondContact O-CA 3.26Å; K96-T114 HydrophobicContact CG-CG2 3.96Å
115R94.9Very high90.5Very high127 Ų12785.5 Ų85.548%0.47945%0.448SS..EExtended strand (participates in β ladder)trans-118.7143.7172.3-74.1-164.8179.7-175.90.9110.9I95 F113 Y117I95-R115 PolarHBondContact N-O 3.23Å; I95-R115 PolarHBondContact O-N 3.22Å; F113-R115 HydrophobicContact CD2-CG 4.04Å; F113-R115 HydrophobicContact CE2-CG 4.26Å; R115-Y117 HydrophobicContact CB-CE2 3.95Å; R115-Y117 VanDerWaalsContact CD-OH 3.26Å; R115-Y117 WeakPolarHBondContact CD-OH 3.49Å; R115-Y117 PolarHBondContact NH1-OH 3.47Å
116Q94.1Very high90.4Very high125 Ų12583 Ų8358%0.58444%0.435SS*.EExtended strand (participates in β ladder)trans-125.2132.7178.4-70.1-178.556.700109.7W92 L93 L94W92-Q116 HydrophobicContact CE3-CB 4.37Å; L93-Q116 CarbonylContact O-C 3.49Å; L93-Q116 VanDerWaalsContact O-CA 3.28Å; L93-Q116 WeakPolarHBondContact O-CA 3.4Å; L94-Q116 HydrophobicContact CD1-CG 3.46Å; L94-Q116 VanDerWaalsContact CD1-CG 3.46Å
117Y93.3Very high90.3Very high26 Ų2677.4 Ų77.410%0.10241%0.411CS..EExtended strand (participates in β ladder)trans-127132179.7-63.9-69.3000110P40 V72 L74 W92 L93 I95 R115 L119P40-Y117 HydrophobicContact CB-CD1 4.19Å; P40-Y117 HydrophobicContact CG-CD1 3.64Å; P40-Y117 HydrophobicContact CG-CE1 3.93Å; V72-Y117 HydrophobicContact CB-CE2 4.32Å; V72-Y117 HydrophobicContact CG1-CD1 4.05Å; V72-Y117 HydrophobicContact CG1-CD2 4.1Å; V72-Y117 HydrophobicContact CG1-CE1 4.11Å; V72-Y117 HydrophobicContact CG1-CE2 4.18Å; V72-Y117 HydrophobicContact CG1-CG 4Å; V72-Y117 HydrophobicContact CG2-CD2 4.33Å; V72-Y117 HydrophobicContact CG2-CE2 4.28Å; L74-Y117 HydrophobicContact CD1-CE2 4.47Å; L74-Y117 HydrophobicContact CD2-CE2 4.41Å; L74-Y117 VanDerWaalsContact CD2-OH 3.23Å; L74-Y117 WeakPolarHBondContact CD2-OH 3.34Å; W92-Y117 CarbonylContact C-O 3.54Å; W92-Y117 WeakPolarHBondContact CA-O 3.35Å; W92-Y117 VanDerWaalsContact CE3-C 3.45Å; L93-Y117 HydrophobicContact CD2-CD2 4.2Å; L93-Y117 PolarHBondContact N-O 3.13Å; L93-Y117 PolarHBondContact O-N 3.48Å; I95-Y117 HydrophobicContact CD1-CD2 4.44Å; I95-Y117 HydrophobicContact CD1-CE2 4.3Å; R115-Y117 HydrophobicContact CB-CE2 3.95Å; R115-Y117 VanDerWaalsContact CD-OH 3.26Å; R115-Y117 WeakPolarHBondContact CD-OH 3.49Å; R115-Y117 PolarHBondContact NH1-OH 3.47Å; Y117-L119 PolarHBondContact O-N 2.85Å
118K91.1Very high90.2Very high97 Ų9776.6 Ų76.642%0.42240%0.399SS..EExtended strand (participates in β ladder)trans-69.9123.2174.6-172.367.8-169.4163.20108.5G91 W92G91-K118 PolarHBondContact O-NZ 3.3Å; W92-K118 HydrophobicContact CD2-CD 3.89Å; W92-K118 HydrophobicContact CE3-CB 4.03Å; W92-K118 HydrophobicContact CE3-CD 4.18Å; W92-K118 HydrophobicContact CH2-CB 4.04Å; W92-K118 HydrophobicContact CH2-CD 3.93Å; W92-K118 HydrophobicContact CZ2-CD 3.63Å; W92-K118 HydrophobicContact CZ3-CB 3.74Å; W92-K118 HydrophobicContact CZ3-CD 4.2Å
119L89Confident90Very high5 Ų570.5 Ų70.53%0.02638%0.376CS..PPolyproline II helixtrans-82.2151.3175.1-72.6171.1000110.3F70 T88 G91 L93 Y117 V123 L128F70-L119 HydrophobicContact CD1-CD2 4.08Å; F70-L119 HydrophobicContact CD2-CD2 4.33Å; F70-L119 HydrophobicContact CE1-CD2 3.81Å; F70-L119 HydrophobicContact CE2-CD2 4.06Å; F70-L119 HydrophobicContact CG-CD2 4.34Å; F70-L119 HydrophobicContact CZ-CD2 3.8Å; T88-L119 HydrophobicContact CG2-CD1 3.79Å; G91-L119 PolarHBondContact O-N 3.01Å; L93-L119 HydrophobicContact CB-CD1 4.09Å; L93-L119 HydrophobicContact CB-CD2 3.87Å; L93-L119 HydrophobicContact CB-CG 3.88Å; Y117-L119 PolarHBondContact O-N 2.85Å; L119-V123 HydrophobicContact CB-CB 4.32Å; L119-V123 HydrophobicContact CD1-CG1 4.4Å; L119-V123 HydrophobicContact CD2-CG1 4.14Å; L119-L128 HydrophobicContact CD1-CD1 4.36Å; L119-L128 HydrophobicContact CD2-CD1 4.14Å; L119-L128 HydrophobicContact CD2-CD2 4.34Å
120P89.4Confident90Very high44 Ų4470.7 Ų70.729%0.28639%0.385SS..PPolyproline II helixtrans-56.2155.1165-19.931.9000111.2F70 G122 V123 M142F70-P120 HydrophobicContact CB-CG 3.95Å; F70-P120 HydrophobicContact CD2-CG 4.4Å; P120-G122 PolarHBondContact O-N 2.86Å; P120-V123 HydrophobicContact CB-CG2 3.85Å; P120-V123 HydrophobicContact CG-CG2 4.15Å; P120-V123 PolarHBondContact O-N 2.82Å; P120-M142 HydrophobicContact CG-SD 4.05Å
121N85.8Confident89.7Confident160 Ų16072 Ų7286%0.85639%0.386SS*.THydrogen-bonded Turntrans-59.4133.8-178-67.7-19000111.1V123N121-V123 VanDerWaalsContact C-N 3.28Å; N121-V123 PolarHBondContact O-N 2.87Å
122G82.4Confident89.4Confident74 Ų7472.4 Ų72.476%0.76339%0.39SS*.THydrogen-bonded Turntrans78.12.3176.400000115.7P120P120-G122 PolarHBondContact O-N 2.86Å
123V85.6Confident88.9Confident17 Ų1770.7 Ų70.710%0.10338%0.378CS..  trans-79.8124.3175.1177.80000110.4L119 P120 N121 D127 L128 M142L119-V123 HydrophobicContact CB-CB 4.32Å; L119-V123 HydrophobicContact CD1-CG1 4.4Å; L119-V123 HydrophobicContact CD2-CG1 4.14Å; P120-V123 HydrophobicContact CB-CG2 3.85Å; P120-V123 HydrophobicContact CG-CG2 4.15Å; P120-V123 PolarHBondContact O-N 2.82Å; N121-V123 VanDerWaalsContact C-N 3.28Å; N121-V123 PolarHBondContact O-N 2.87Å; V123-D127 HydrophobicContact CG1-CB 4.28Å; V123-L128 HydrophobicContact CG1-CD2 3.83Å; V123-L128 HydrophobicContact CG1-CG 4.14Å; V123-M142 HydrophobicContact CG1-CG 4.21Å; V123-M142 HydrophobicContact CG1-SD 4.47Å; V123-M142 HydrophobicContact CG2-CE 3.62Å; V123-M142 HydrophobicContact CG2-SD 3.76Å
124E83.9Confident88.3Confident104 Ų10477.8 Ų77.849%0.48641%0.411SS..  trans-111.9170.9176.2-65.8177.9178.500111.5K126 D127E124-K126 HydrophobicContact CB-CG 4.29Å; E124-K126 PolarHBondContact O-N 2.85Å; E124-K126 VanDerWaalsContact O-N 3.16Å; E124-K126 VanDerWaalsContact OE2-CE 3.28Å; E124-K126 WeakPolarHBondContact OE2-CE 3.33Å; E124-K126 IonicContact OE2-NZ 2.63Å; E124-K126 PolarHBondContact OE2-NZ 2.92Å; E124-D127 PolarHBondContact N-OD2 2.96Å; E124-D127 WeakPolarHBondContact O-CB 3.41Å; E124-D127 PolarHBondContact O-N 3.32Å
125N84.6Confident87.7Confident84 Ų8478 Ų7845%0.44941%0.409SS..G310 helixtrans-51.8-39.8178.2-168.3-91.9000113.3T88 D127 L128T88-N125 HydrophobicContact CG2-CB 4.12Å; T88-N125 WeakPolarHBondContact OG1-CB 3.27Å; T88-N125 PolarHBondContact OG1-N 3.36Å; N125-D127 PolarHBondContact O-N 3.14Å; N125-L128 PolarHBondContact O-N 3.33Å; N125-L128 VanDerWaalsContact O-N 3.09Å
126K85.7Confident87.2Confident130 Ų13072.1 Ų72.157%0.56539%0.389SS*.G310 helixtrans-62.9-27.3-178.372.6-167.7-176.3-150.40113.1E124 L128 K143E124-K126 HydrophobicContact CB-CG 4.29Å; E124-K126 PolarHBondContact O-N 2.85Å; E124-K126 VanDerWaalsContact O-N 3.16Å; E124-K126 VanDerWaalsContact OE2-CE 3.28Å; E124-K126 WeakPolarHBondContact OE2-CE 3.33Å; E124-K126 IonicContact OE2-NZ 2.63Å; E124-K126 PolarHBondContact OE2-NZ 2.92Å; K126-L128 VanDerWaalsContact C-N 3.27Å; K126-K143 PolarHBondContact O-NZ 3.42Å
127D86.3Confident87.1Confident55 Ų5567 Ų6729%0.29437%0.365SS..G310 helixtrans-84.8-7.5-178.1-50.9-48.9000111.5V123 E124 N125 M142 K143V123-D127 HydrophobicContact CG1-CB 4.28Å; E124-D127 PolarHBondContact N-OD2 2.96Å; E124-D127 WeakPolarHBondContact O-CB 3.41Å; E124-D127 PolarHBondContact O-N 3.32Å; N125-D127 PolarHBondContact O-N 3.14Å; D127-M142 CarbonylContact O-C 3.54Å; D127-M142 WeakPolarHBondContact O-CA 3.33Å; D127-K143 PolarHBondContact O-N 2.84Å
128L89.3Confident87Confident14 Ų1466.1 Ų66.17%0.07336%0.362CS..EExtended strand (participates in β ladder)trans-99.2152.3178-59.5177.2000111.2F70 T88 L93 L119 V123 N125 K126 V140 E141 M142 K143F70-L128 HydrophobicContact CD1-CD2 4.27Å; T88-L128 HydrophobicContact CG2-CD1 3.76Å; L93-L128 HydrophobicContact CD1-CD1 4.02Å; L119-L128 HydrophobicContact CD1-CD1 4.36Å; L119-L128 HydrophobicContact CD2-CD1 4.14Å; L119-L128 HydrophobicContact CD2-CD2 4.34Å; V123-L128 HydrophobicContact CG1-CD2 3.83Å; V123-L128 HydrophobicContact CG1-CG 4.14Å; N125-L128 PolarHBondContact O-N 3.33Å; N125-L128 VanDerWaalsContact O-N 3.09Å; K126-L128 VanDerWaalsContact C-N 3.27Å; L128-V140 HydrophobicContact CD1-CG1 4.49Å; L128-E141 CarbonylContact C-O 3.55Å; L128-E141 WeakPolarHBondContact CA-O 3.25Å; L128-M142 HydrophobicContact CD2-CG 3.79Å; L128-K143 WeakPolarHBondContact O-CE 3.38Å; L128-K143 PolarHBondContact O-NZ 3.22Å
129S88.9Confident86.9Confident32 Ų3262.5 Ų62.522%0.22435%0.348CS..EExtended strand (participates in β ladder)trans-127.1148.4166.765.20000109.2V140 E141S129-V140 WeakPolarHBondContact O-CA 3.26Å; S129-E141 PolarHBondContact N-O 3.04Å; S129-E141 PolarHBondContact O-N 3.11Å; S129-E141 WeakPolarHBondContact OG-CG 3.48Å; S129-E141 PolarHBondContact OG-O 3.23Å
130A90.6Very high87Confident51 Ų5162.3 Ų62.342%0.42135%0.347SS..EExtended strand (participates in β ladder)trans-128.1134.9177.400000109.5I86 L138 V139 V140I86-A130 HydrophobicContact CD1-CB 3.54Å; A130-L138 HydrophobicContact CB-CD1 4.39Å; A130-V139 CarbonylContact C-O 3.57Å; A130-V139 VanDerWaalsContact CA-O 3.24Å; A130-V139 WeakPolarHBondContact CA-O 3.43Å; A130-V140 HydrophobicContact CB-CG2 4.15Å
131L89.2Confident87Confident97 Ų9763.1 Ų63.151%0.50835%0.347SS..EExtended strand (participates in β ladder)trans-127.5124.4179.1-64.2171.5000108.7L138 V139L131-L138 WeakPolarHBondContact O-CA 3.35Å; L131-V139 HydrophobicContact CB-CB 4.36Å; L131-V139 PolarHBondContact N-O 2.78Å; L131-V139 PolarHBondContact O-N 2.92Å
132F86.4Confident87.1Confident83 Ų8358.1 Ų58.136%0.36432%0.319SS..EExtended strand (participates in β ladder)trans-96.5109.2171.5-169.5-78.3000108.1V76 P81 I84V76-F132 HydrophobicContact CB-CE2 4.42Å; V76-F132 HydrophobicContact CG2-CD2 3.94Å; V76-F132 HydrophobicContact CG2-CE2 3.36Å; V76-F132 HydrophobicContact CG2-CZ 4.07Å; P81-F132 HydrophobicContact CG-CD1 4.1Å; P81-F132 HydrophobicContact CG-CD2 4.19Å; P81-F132 HydrophobicContact CG-CE1 4.18Å; P81-F132 HydrophobicContact CG-CE2 4.24Å; P81-F132 HydrophobicContact CG-CG 4.11Å; P81-F132 HydrophobicContact CG-CZ 4.25Å; I84-F132 HydrophobicContact CD1-CD2 4.06Å; I84-F132 HydrophobicContact CD1-CE2 3.76Å
133C86.8Confident87.1Confident41 Ų4160 Ų6028%0.27731%0.307SS..  trans-81.4154-179.3-630000110.9D135 G136 I137C133-D135 WeakPolarHBondContact CB-OD1 3.43Å; C133-D135 PolarHBondContact O-N 2.97Å; C133-G136 PolarHBondContact O-N 3.34Å; C133-G136 VanDerWaalsContact O-N 3.12Å; C133-I137 HydrophobicContact CB-CB 4.4Å; C133-I137 WeakPolarHBondContact CB-O 3.29Å; C133-I137 PolarHBondContact N-O 2.77Å
134H82.4Confident86.3Confident193 Ų19368.3 Ų68.389%0.89434%0.341SS*.THydrogen-bonded Turntrans-66-19.5-178.164.7-88.4000113.4G136H134-G136 PolarHBondContact O-N 2.97Å
135D82.9Confident85Confident78 Ų7869.4 Ų69.442%0.41736%0.358SS..THydrogen-bonded Turntrans-83.66.1176.363.7-11.3000113C133 I137C133-D135 WeakPolarHBondContact CB-OD1 3.43Å; C133-D135 PolarHBondContact O-N 2.97Å; D135-I137 PolarHBondContact OD1-N 2.85Å
136G84.5Confident83.3Confident5 Ų569 Ų695%0.05237%0.372CS..SBendtrans82.513.9178.800000114V76 V77 C133 H134V76-G136 CarbonylContact C-O 3.56Å; V76-G136 WeakPolarHBondContact CG2-O 3.22Å; V76-G136 PolarHBondContact N-O 2.79Å; V77-G136 PolarHBondContact N-O 2.76Å; C133-G136 PolarHBondContact O-N 3.34Å; C133-G136 VanDerWaalsContact O-N 3.12Å; H134-G136 PolarHBondContact O-N 2.97Å
137I90.7Very high81.2Confident17 Ų1766.2 Ų66.29%0.08738%0.381CS..EExtended strand (participates in β ladder)trans-95.1125.2175.3-54.9-57.1000110.9L37 L73 L74 D75 C133 D135 V139L37-I137 HydrophobicContact CD1-CD1 3.91Å; L37-I137 HydrophobicContact CD2-CD1 4.12Å; L73-I137 HydrophobicContact CB-CG2 4.22Å; L73-I137 HydrophobicContact CD2-CG2 4.29Å; L73-I137 HydrophobicContact CG-CG2 4.25Å; L74-I137 CarbonylContact O-C 3.54Å; L74-I137 WeakPolarHBondContact O-CA 3.43Å; D75-I137 HydrophobicContact CB-CD1 4.32Å; C133-I137 HydrophobicContact CB-CB 4.4Å; C133-I137 WeakPolarHBondContact CB-O 3.29Å; C133-I137 PolarHBondContact N-O 2.77Å; D135-I137 PolarHBondContact OD1-N 2.85Å; I137-V139 HydrophobicContact CG2-CG2 4.31Å
138L90.8Very high78.9Confident8 Ų871.8 Ų71.84%0.04241%0.41CS..EExtended strand (participates in β ladder)trans-91.9120.3167.5175.269.2000109.5L73 L74 V76 I84 I86 I95 A130 L131 V140L73-L138 CarbonylContact C-O 3.58Å; L73-L138 WeakPolarHBondContact CA-O 3.25Å; L74-L138 HydrophobicContact CB-CB 4.29Å; L74-L138 HydrophobicContact CD1-CD2 4.39Å; L74-L138 PolarHBondContact N-O 3.46Å; L74-L138 PolarHBondContact O-N 2.96Å; V76-L138 HydrophobicContact CG1-CB 4.05Å; V76-L138 HydrophobicContact CG1-CD2 4.47Å; V76-L138 HydrophobicContact CG2-CB 3.71Å; I84-L138 HydrophobicContact CG2-CD2 4.13Å; I86-L138 HydrophobicContact CD1-CD1 4.13Å; I86-L138 HydrophobicContact CD1-CD2 4.07Å; I95-L138 HydrophobicContact CD1-CD2 4.47Å; I95-L138 HydrophobicContact CG2-CD2 4.05Å; A130-L138 HydrophobicContact CB-CD1 4.39Å; L131-L138 WeakPolarHBondContact O-CA 3.35Å; L138-V140 HydrophobicContact CD1-CG2 4.42Å; L138-V140 HydrophobicContact CD2-CG2 4.28Å; L138-V140 HydrophobicContact CG-CG2 4.09Å
139V89.1Confident76.2Confident20 Ų2082.1 Ų82.112%0.12147%0.465CS..EExtended strand (participates in β ladder)trans-101.8127.9172.4-171.10000108.4Q71 V72 L73 A130 L131 I137Q71-V139 HydrophobicContact CG-CG1 4.19Å; V72-V139 WeakPolarHBondContact O-CA 3.38Å; L73-V139 HydrophobicContact CD1-CG1 4.21Å; L73-V139 HydrophobicContact CG-CG2 4.26Å; A130-V139 CarbonylContact C-O 3.57Å; A130-V139 VanDerWaalsContact CA-O 3.24Å; A130-V139 WeakPolarHBondContact CA-O 3.43Å; L131-V139 HydrophobicContact CB-CB 4.36Å; L131-V139 PolarHBondContact N-O 2.78Å; L131-V139 PolarHBondContact O-N 2.92Å; I137-V139 HydrophobicContact CG2-CG2 4.31Å
140V91.6Very high75.5Confident1 Ų184.6 Ų84.61%0.00648%0.477CS..EExtended strand (participates in β ladder)trans-124122.5169.3-174.10000109Q71 V72 I86 L93 I95 L128 S129 A130 L138Q71-V140 CarbonylContact C-O 3.58Å; Q71-V140 WeakPolarHBondContact CA-O 3.3Å; V72-V140 HydrophobicContact CG2-CB 3.69Å; V72-V140 HydrophobicContact CG2-CG2 4.35Å; V72-V140 PolarHBondContact N-O 2.84Å; V72-V140 PolarHBondContact O-N 3.35Å; I86-V140 HydrophobicContact CD1-CG2 4Å; L93-V140 HydrophobicContact CD1-CG1 4.35Å; L93-V140 HydrophobicContact CD2-CB 4.26Å; L93-V140 HydrophobicContact CD2-CG1 3.8Å; I95-V140 HydrophobicContact CD1-CG2 3.86Å; L128-V140 HydrophobicContact CD1-CG1 4.49Å; S129-V140 WeakPolarHBondContact O-CA 3.26Å; A130-V140 HydrophobicContact CB-CG2 4.15Å; L138-V140 HydrophobicContact CD1-CG2 4.42Å; L138-V140 HydrophobicContact CD2-CG2 4.28Å; L138-V140 HydrophobicContact CG-CG2 4.09Å
141E88.9Confident74.7Confident61 Ų6186.4 Ų86.429%0.28548%0.48SS..EExtended strand (participates in β ladder)trans-143.7157.3-173.766.2-178.2-166.400113.1F70 Q71 L128 S129F70-E141 VanDerWaalsContact O-CA 3.29Å; F70-E141 WeakPolarHBondContact O-CA 3.44Å; Q71-E141 HydrophobicContact CB-CB 4.09Å; Q71-E141 HydrophobicContact CG-CB 4.04Å; Q71-E141 PolarHBondContact NE2-OE2 3.42Å; L128-E141 CarbonylContact C-O 3.55Å; L128-E141 WeakPolarHBondContact CA-O 3.25Å; S129-E141 PolarHBondContact N-O 3.04Å; S129-E141 PolarHBondContact O-N 3.11Å; S129-E141 WeakPolarHBondContact OG-CG 3.48Å; S129-E141 PolarHBondContact OG-O 3.23Å
142M87.6Confident73.9Confident55 Ų5585.8 Ų85.827%0.27148%0.479SS..EExtended strand (participates in β ladder)trans-69.9134.2170.4-76.7172.868.600111.1F70 P120 V123 D127 L128F70-M142 HydrophobicContact CB-CG 3.85Å; F70-M142 HydrophobicContact CB-SD 3.54Å; F70-M142 VanDerWaalsContact CB-SD 3.54Å; F70-M142 PolarHBondContact O-N 2.8Å; P120-M142 HydrophobicContact CG-SD 4.05Å; V123-M142 HydrophobicContact CG1-CG 4.21Å; V123-M142 HydrophobicContact CG1-SD 4.47Å; V123-M142 HydrophobicContact CG2-CE 3.62Å; V123-M142 HydrophobicContact CG2-SD 3.76Å; D127-M142 CarbonylContact O-C 3.54Å; D127-M142 WeakPolarHBondContact O-CA 3.33Å; L128-M142 HydrophobicContact CD2-CG 3.79Å
143K82.9Confident73.2Confident115 Ų11585.9 Ų85.950%0.549%0.485SS..PPolyproline II helixtrans-63.3137.4168.9-66.9173.7-179.2158.80109K126 D127 L128K126-K143 PolarHBondContact O-NZ 3.42Å; D127-K143 PolarHBondContact O-N 2.84Å; L128-K143 WeakPolarHBondContact O-CE 3.38Å; L128-K143 PolarHBondContact O-NZ 3.22Å
144K69.3Low72.4Confident190 Ų19088.8 Ų88.883%0.82650%0.498SS*.PPolyproline II helixtrans-65.8131.7171.4-66.8-176.6-178.9177.70109G146K144-G146 PolarHBondContact O-N 3.34Å
145P56Low71.7Confident128 Ų12881.8 Ų81.883%0.83147%0.472SS*.SBendtrans-68.8104171.327.5-30.9000108.5
146G50.4Low70.9Confident74 Ų7482.1 Ų82.176%0.76348%0.476SS*.  trans116.186.9170.700000115.3K144K144-G146 PolarHBondContact O-N 3.34Å
147G40.9Very low69.8Low72 Ų7288 Ų8874%0.74251%0.508SS*.  trans-138.170.2155.200000107.5N149G147-N149 PolarHBondContact O-N 2.79Å
148L37.7Very low68.1Low173 Ų17393.9 Ų93.991%0.90654%0.544SS*.  trans-58.6120168.8-151.982.5000107
149N32Very low66Low230 Ų230101.7 Ų101.7100%1.2359%0.589SS**  trans-102.20152.5-76.5-44.6000107.1G147G147-N149 PolarHBondContact O-N 2.79Å

Retrieved 149 of 149 residues in 63 ms (Link to these results)